G4VLM6_SCHMA Loading...

Trafficking protein particle complex subunit 2-like protein

AlphaFold DB , UniProt , Accession G4VLM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	91.1	Very high	96.6	Very high	136 Å²	136	29 Å²	29	67%	0.67	16%	0.157	S	C	*	.				0	155.9	0	-65.4	-53.7	-164.6	0	0	109	F85 A157	M1-F85 VanDerWaalsContact O-CD1 3.29Å; M1-F85 WeakPolarHBondContact O-CD1 3.34Å; M1-A157 HydrophobicContact CB-CB 3.97Å
2	A	94.9	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-81.9	144.2	-177.4	0	0	0	0	0	111.9	V5 I84 F85 M114 L155 L156 A157	A2-V5 HydrophobicContact CB-CG2 4.15Å; A2-I84 CarbonylContact C-O 3.56Å; A2-F85 HydrophobicContact CB-CD1 4.18Å; A2-F85 HydrophobicContact CB-CE1 3.86Å; A2-F85 HydrophobicContact CB-CZ 4.15Å; A2-M114 HydrophobicContact CB-CE 4.12Å; A2-L155 PolarHBondContact N-O 2.93Å; A2-L156 HydrophobicContact CB-CD2 4.31Å; A2-L156 CarbonylContact O-C 3.57Å; A2-L156 VanDerWaalsContact O-CA 3.27Å; A2-L156 WeakPolarHBondContact O-CA 3.47Å; A2-L156 WeakPolarHBondContact O-CD2 3.23Å; A2-A157 PolarHBondContact O-N 3.22Å
3	A	95.3	Very high	96.8	Very high	3 Å²	3	38 Å²	38	3%	0.025	20%	0.199	C	C	.	.	S	Bend	trans	-78.9	-33.2	169.9	0	0	0	0	0	111.8	T19 A20 Y28 I84 A160	A3-T19 CarbonylContact O-C 3.48Å; A3-T19 WeakPolarHBondContact O-CA 3.2Å; A3-A20 PolarHBondContact O-N 2.85Å; A3-Y28 HydrophobicContact CB-CE1 3.81Å; A3-I84 WeakPolarHBondContact CA-O 3.13Å; A3-I84 WeakPolarHBondContact CB-O 3.39Å; A3-I84 PolarHBondContact N-O 3.48Å; A3-A160 HydrophobicContact CB-CB 3.55Å
4	C	97	Very high	96.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	145	176.1	176.4	0	0	0	0	111.1	R18 T19 Y28 M83 I84	C4-R18 WeakPolarHBondContact CA-O 3.41Å; C4-T19 HydrophobicContact CB-CG2 4.19Å; C4-Y28 HydrophobicContact CB-CD1 3.41Å; C4-Y28 VanDerWaalsContact CB-CD1 3.41Å; C4-Y28 HydrophobicContact CB-CE1 4.01Å; C4-Y28 HydrophobicContact CB-CG 3.73Å; C4-M83 WeakPolarHBondContact O-CA 3.3Å; C4-I84 HydrophobicContact CB-CB 4.17Å; C4-I84 HydrophobicContact CB-CD1 4.25Å; C4-I84 HydrophobicContact CB-CG1 4.45Å; C4-I84 PolarHBondContact N-O 3.25Å; C4-I84 PolarHBondContact O-N 3.35Å
5	V	98.4	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.7	169	-177.5	0	0	0	0	108.5	A2 R18 I82 M83 L118 I152 L156	A2-V5 HydrophobicContact CB-CG2 4.15Å; V5-R18 PolarHBondContact N-O 3.4Å; V5-R18 PolarHBondContact O-N 3.05Å; V5-I82 WeakPolarHBondContact CA-O 3.32Å; V5-M83 HydrophobicContact CG1-CE 4.35Å; V5-M83 HydrophobicContact CG1-CG 4.43Å; V5-M83 HydrophobicContact CG2-CE 4.26Å; V5-M83 HydrophobicContact CG2-CG 4.14Å; V5-L118 HydrophobicContact CG1-CD1 4.22Å; V5-L118 HydrophobicContact CG1-CD2 3.68Å; V5-I152 HydrophobicContact CB-CG2 3.93Å; V5-I152 HydrophobicContact CG1-CD1 4.19Å; V5-I152 HydrophobicContact CG1-CG1 4.5Å; V5-I152 HydrophobicContact CG1-CG2 4.38Å; V5-I152 HydrophobicContact CG2-CG2 4.07Å; V5-L156 HydrophobicContact CG2-CD2 3.9Å; V5-L156 HydrophobicContact CG2-CG 4.44Å
6	A	98.5	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145	176.3	0	0	0	0	0	111.3	L14 Y16 L17 A32 F81 I82	A6-L14 HydrophobicContact CB-CD1 4.36Å; A6-Y16 CarbonylContact C-O 3.45Å; A6-Y16 WeakPolarHBondContact CA-O 3.36Å; A6-L17 HydrophobicContact CB-CD1 4.12Å; A6-L17 HydrophobicContact CB-CG 4.26Å; A6-A32 HydrophobicContact CB-CB 3.98Å; A6-F81 WeakPolarHBondContact O-CA 3.41Å; A6-I82 HydrophobicContact CB-CB 4.4Å; A6-I82 PolarHBondContact N-O 2.79Å; A6-I82 PolarHBondContact O-N 2.96Å
7	V	98.6	Very high	97	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.6	174.2	-177.8	0	0	0	0	108.3	L15 Y16 I79 F81 Y122 F148	V7-L15 HydrophobicContact CG1-CB 4.31Å; V7-L15 HydrophobicContact CG1-CD1 4.34Å; V7-L15 WeakPolarHBondContact O-CB 3.41Å; V7-L15 PolarHBondContact O-N 3.01Å; V7-Y16 HydrophobicContact CG2-CD1 4.5Å; V7-Y16 PolarHBondContact N-O 3.28Å; V7-Y16 PolarHBondContact O-N 3.1Å; V7-I79 HydrophobicContact CG1-CG2 3.67Å; V7-F81 HydrophobicContact CB-CD1 4.34Å; V7-F81 HydrophobicContact CG1-CD1 3.93Å; V7-F81 HydrophobicContact CG1-CE1 3.81Å; V7-F81 HydrophobicContact CG2-CD1 3.96Å; V7-F81 HydrophobicContact CG2-CE1 4.22Å; V7-Y122 HydrophobicContact CG1-CD2 4.39Å; V7-Y122 HydrophobicContact CG1-CE2 4.02Å; V7-F148 HydrophobicContact CG2-CE1 4.49Å; V7-F148 HydrophobicContact CG2-CZ 3.98Å
8	I	98.5	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.5	-176.6	-56.3	174.4	0	0	0	108.6	Q13 L14 L36 I79 K80 I82	I8-Q13 CarbonylContact C-O 3.53Å; I8-Q13 WeakPolarHBondContact CA-O 3.48Å; I8-L14 HydrophobicContact CG1-CD1 3.86Å; I8-L36 HydrophobicContact CD1-CD1 4.26Å; I8-L36 HydrophobicContact CD1-CD2 3.79Å; I8-L36 HydrophobicContact CD1-CG 4.17Å; I8-L36 HydrophobicContact CG2-CD1 4.46Å; I8-L36 HydrophobicContact CG2-CD2 4.11Å; I8-I79 WeakPolarHBondContact O-CG2 3.43Å; I8-K80 HydrophobicContact CB-CB 4.27Å; I8-K80 PolarHBondContact N-O 3.23Å; I8-K80 PolarHBondContact O-N 2.83Å; I8-I82 HydrophobicContact CD1-CD1 3.72Å
9	S	97.9	Very high	97	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.192	C	C	.	.			trans	-66	170.8	178.6	71.5	0	0	0	0	112.5	T11 N12 Q13 K80	S9-T11 PolarHBondContact O-N 3.41Å; S9-T11 PolarHBondContact OG-N 3.4Å; S9-T11 PolarHBondContact OG-OG1 2.92Å; S9-N12 PolarHBondContact O-N 3.27Å; S9-N12 PolarHBondContact OG-N 3Å; S9-Q13 PolarHBondContact N-O 3.07Å; S9-Q13 WeakPolarHBondContact OG-CB 3.48Å; S9-Q13 PolarHBondContact OG-N 3.17Å; S9-Q13 PolarHBondContact OG-O 3.3Å; S9-K80 WeakPolarHBondContact O-CE 3.35Å
10	D	96.4	Very high	96.9	Very high	89 Å²	89	36.5 Å²	36.5	48%	0.476	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.6	167.8	62.9	-34.5	0	0	0	112.4	N12 K78	D10-N12 VanDerWaalsContact C-N 3.33Å; D10-N12 PolarHBondContact O-N 2.94Å; D10-K78 WeakPolarHBondContact CA-O 3.37Å; D10-K78 HydrophobicContact CB-CB 3.8Å
11	T	96.7	Very high	96.7	Very high	89 Å²	89	41.8 Å²	41.8	55%	0.546	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	19.5	176.6	55.1	0	0	0	0	115	S9 Q13	S9-T11 PolarHBondContact O-N 3.41Å; S9-T11 PolarHBondContact OG-N 3.4Å; S9-T11 PolarHBondContact OG-OG1 2.92Å; T11-Q13 PolarHBondContact O-N 3.49Å
12	N	97.3	Very high	96.7	Very high	53 Å²	53	36.4 Å²	36.4	28%	0.283	18%	0.184	S	C	.	.	S	Bend	trans	62	20.9	179.1	-72.9	-27.6	0	0	0	115.1	S9 D10 L36 E40 K80	S9-N12 PolarHBondContact O-N 3.27Å; S9-N12 PolarHBondContact OG-N 3Å; D10-N12 VanDerWaalsContact C-N 3.33Å; D10-N12 PolarHBondContact O-N 2.94Å; N12-L36 HydrophobicContact CB-CD1 4.2Å; N12-E40 PolarHBondContact ND2-OE1 3.36Å; N12-K80 PolarHBondContact OD1-NZ 3.08Å
13	Q	97.4	Very high	96.5	Very high	122 Å²	122	41.9 Å²	41.9	57%	0.57	22%	0.22	S	C	*	.			trans	-90	132.2	174.9	-58.8	-57.7	-50.3	0	0	110.8	I8 S9 T11 L15	I8-Q13 CarbonylContact C-O 3.53Å; I8-Q13 WeakPolarHBondContact CA-O 3.48Å; S9-Q13 PolarHBondContact N-O 3.07Å; S9-Q13 WeakPolarHBondContact OG-CB 3.48Å; S9-Q13 PolarHBondContact OG-N 3.17Å; S9-Q13 PolarHBondContact OG-O 3.3Å; T11-Q13 PolarHBondContact O-N 3.49Å; Q13-L15 PolarHBondContact O-N 3.38Å
14	L	97.6	Very high	96.2	Very high	49 Å²	49	43.8 Å²	43.8	26%	0.257	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.2	176.4	-172.9	62.9	0	0	0	109.8	A6 I8 Y16 L17	A6-L14 HydrophobicContact CB-CD1 4.36Å; I8-L14 HydrophobicContact CG1-CD1 3.86Å; L14-Y16 WeakPolarHBondContact CD1-O 3.31Å; L14-L17 HydrophobicContact CD1-CB 4.15Å; L14-L17 HydrophobicContact CD1-CD1 4.4Å; L14-L17 HydrophobicContact CD2-CB 3.98Å; L14-L17 HydrophobicContact CD2-CD1 4.2Å; L14-L17 HydrophobicContact CG-CB 4.39Å
15	L	97.8	Very high	95.9	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-34.6	178.2	-58	-176.8	0	0	0	111.3	V7 Q13 I79 G134 P136 I137	V7-L15 HydrophobicContact CG1-CB 4.31Å; V7-L15 HydrophobicContact CG1-CD1 4.34Å; V7-L15 WeakPolarHBondContact O-CB 3.41Å; V7-L15 PolarHBondContact O-N 3.01Å; Q13-L15 PolarHBondContact O-N 3.38Å; L15-I79 HydrophobicContact CD1-CD1 4.4Å; L15-G134 WeakPolarHBondContact CD2-O 3.49Å; L15-P136 CarbonylContact O-C 3.59Å; L15-P136 WeakPolarHBondContact O-CA 3.16Å; L15-I137 HydrophobicContact CB-CD1 4.49Å; L15-I137 HydrophobicContact CB-CG1 4.43Å; L15-I137 PolarHBondContact O-N 3.48Å
16	Y	98.3	Very high	95.6	Very high	14 Å²	14	50.7 Å²	50.7	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	141.2	-178.6	-179.7	-89.8	0	0	0	110.3	A6 V7 L14 R18 I137 P139 F148 D149 I152	A6-Y16 CarbonylContact C-O 3.45Å; A6-Y16 WeakPolarHBondContact CA-O 3.36Å; V7-Y16 HydrophobicContact CG2-CD1 4.5Å; V7-Y16 PolarHBondContact N-O 3.28Å; V7-Y16 PolarHBondContact O-N 3.1Å; L14-Y16 WeakPolarHBondContact CD1-O 3.31Å; Y16-R18 HydrophobicContact CD1-CB 4.45Å; Y16-R18 HydrophobicContact CE1-CB 3.41Å; Y16-R18 VanDerWaalsContact CE1-CB 3.41Å; Y16-R18 VanDerWaalsContact OH-CB 3.23Å; Y16-R18 WeakPolarHBondContact OH-CB 3.47Å; Y16-I137 HydrophobicContact CD2-CB 4Å; Y16-I137 HydrophobicContact CD2-CG2 4.2Å; Y16-I137 HydrophobicContact CG-CB 4.42Å; Y16-P139 HydrophobicContact CE2-CG 4.26Å; Y16-F148 HydrophobicContact CD1-CE1 4.17Å; Y16-F148 HydrophobicContact CD2-CE1 4.38Å; Y16-F148 HydrophobicContact CE1-CE1 4.4Å; Y16-F148 HydrophobicContact CG-CE1 4.15Å; Y16-D149 PolarHBondContact OH-OD1 3.27Å; Y16-I152 HydrophobicContact CD1-CD1 3.76Å; Y16-I152 HydrophobicContact CE1-CB 4.49Å; Y16-I152 HydrophobicContact CE1-CD1 3.21Å; Y16-I152 HydrophobicContact CE1-CG1 4.41Å; Y16-I152 HydrophobicContact CE1-CG2 4.13Å
17	L	97.7	Very high	95.2	Very high	34 Å²	34	51.4 Å²	51.4	18%	0.178	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128.9	169	-171.2	146.9	0	0	0	108.7	A6 L14 T19 H29 A32	A6-L17 HydrophobicContact CB-CD1 4.12Å; A6-L17 HydrophobicContact CB-CG 4.26Å; L14-L17 HydrophobicContact CD1-CB 4.15Å; L14-L17 HydrophobicContact CD1-CD1 4.4Å; L14-L17 HydrophobicContact CD2-CB 3.98Å; L14-L17 HydrophobicContact CD2-CD1 4.2Å; L14-L17 HydrophobicContact CG-CB 4.39Å; L17-T19 HydrophobicContact CD2-CG2 3.71Å; L17-H29 HydrophobicContact CD1-CB 4.36Å; L17-A32 HydrophobicContact CD1-CB 4.44Å
18	R	96.9	Very high	95	Very high	101 Å²	101	51.4 Å²	51.4	38%	0.381	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	126.9	174.7	-172.2	72.1	-179.6	-116.9	5	110	C4 V5 Y16 D149 I152 L156	C4-R18 WeakPolarHBondContact CA-O 3.41Å; V5-R18 PolarHBondContact N-O 3.4Å; V5-R18 PolarHBondContact O-N 3.05Å; Y16-R18 HydrophobicContact CD1-CB 4.45Å; Y16-R18 HydrophobicContact CE1-CB 3.41Å; Y16-R18 VanDerWaalsContact CE1-CB 3.41Å; Y16-R18 VanDerWaalsContact OH-CB 3.23Å; Y16-R18 WeakPolarHBondContact OH-CB 3.47Å; R18-D149 IonicContact NH1-OD1 3.21Å; R18-D149 PolarHBondContact NH1-OD1 3.12Å; R18-D149 IonicContact NH1-OD2 2.95Å; R18-D149 PolarHBondContact NH1-OD2 3.42Å; R18-D149 VanDerWaalsContact NH1-OD2 3.14Å; R18-I152 HydrophobicContact CB-CG2 4.13Å; R18-I152 HydrophobicContact CG-CG2 4.38Å; R18-L156 HydrophobicContact CB-CD1 4.09Å; R18-L156 HydrophobicContact CG-CD1 3.41Å; R18-L156 VanDerWaalsContact CG-CD1 3.41Å
19	T	96.7	Very high	94.8	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.16	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	156	173.8	64.5	0	0	0	0	109.5	A3 C4 L17 P25 Y28	A3-T19 CarbonylContact O-C 3.48Å; A3-T19 WeakPolarHBondContact O-CA 3.2Å; C4-T19 HydrophobicContact CB-CG2 4.19Å; L17-T19 HydrophobicContact CD2-CG2 3.71Å; T19-P25 HydrophobicContact CG2-CB 4.07Å; T19-Y28 HydrophobicContact CG2-CD2 3.52Å; T19-Y28 HydrophobicContact CG2-CE2 4.29Å; T19-Y28 HydrophobicContact CG2-CG 3.83Å
20	A	95.4	Very high	94.7	Very high	5 Å²	5	58.6 Å²	58.6	4%	0.041	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-60.3	170.1	154.3	0	0	0	0	0	110	A3 C22 A157 A160	A3-A20 PolarHBondContact O-N 2.85Å; A20-C22 PolarHBondContact O-N 3.33Å; A20-C22 VanDerWaalsContact O-N 3.09Å; A20-C22 PolarHBondContact O-SG 3.01Å; A20-A157 HydrophobicContact CB-CB 4.35Å; A20-A157 WeakPolarHBondContact CB-O 3.27Å; A20-A160 HydrophobicContact CB-CB 3.83Å
21	E	93.4	Very high	94.6	Very high	147 Å²	147	55 Å²	55	69%	0.687	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-61	116.5	174.7	-172.1	171	178.4	0	0	109.5	T158 N159 A160	E21-T158 VanDerWaalsContact CB-O 3.31Å; E21-T158 WeakPolarHBondContact CB-O 3.32Å; E21-T158 PolarHBondContact N-O 2.79Å; E21-N159 CarbonylContact O-C 3.55Å; E21-N159 VanDerWaalsContact O-CA 3.26Å; E21-N159 WeakPolarHBondContact O-CA 3.28Å; E21-A160 PolarHBondContact O-N 2.86Å
22	C	90.6	Very high	94.6	Very high	24 Å²	24	50.8 Å²	50.8	16%	0.162	26%	0.258	C	S	.	.			trans	-147	151.3	-176.3	61.9	0	0	0	0	109.8	A20 D24 Y28 A160	A20-C22 PolarHBondContact O-N 3.33Å; A20-C22 VanDerWaalsContact O-N 3.09Å; A20-C22 PolarHBondContact O-SG 3.01Å; C22-D24 VanDerWaalsContact C-N 3.34Å; C22-D24 PolarHBondContact O-N 3.45Å; C22-Y28 HydrophobicContact CB-CE2 4.04Å; C22-A160 WeakPolarHBondContact CA-O 3.48Å; C22-A160 HydrophobicContact CB-CB 4.48Å; C22-A160 WeakPolarHBondContact CB-O 3.04Å
23	P	89.4	Confident	94.5	Very high	115 Å²	115	51.6 Å²	51.6	75%	0.747	26%	0.26	S	S	*	.	S	Bend	trans	-70.5	-31.1	-175.2	26.3	-33	0	0	0	112.7	S162	P23-S162 WeakPolarHBondContact CG-OG 3.13Å
24	D	89.7	Confident	94.4	Very high	43 Å²	43	48.5 Å²	48.5	23%	0.23	25%	0.253	C	S	.	.			trans	-133.7	95.7	176.8	-173.8	-1.4	0	0	0	111.9	C22 L26 F27 S162	C22-D24 VanDerWaalsContact C-N 3.34Å; C22-D24 PolarHBondContact O-N 3.45Å; D24-L26 PolarHBondContact O-N 3.41Å; D24-L26 WeakPolarHBondContact OD1-CB 3.46Å; D24-L26 PolarHBondContact OD1-N 2.8Å; D24-F27 HydrophobicContact CB-CD2 3.81Å; D24-F27 HydrophobicContact CB-CE2 4.24Å; D24-F27 VanDerWaalsContact CG-CD2 3.5Å; D24-F27 WeakPolarHBondContact OD2-CD2 3.44Å; D24-F27 WeakPolarHBondContact OD2-CE2 3.4Å; D24-S162 VanDerWaalsContact O-CB 3.23Å; D24-S162 WeakPolarHBondContact O-CB 3.39Å
25	P	90.8	Very high	94.4	Very high	58 Å²	58	46.2 Å²	46.2	38%	0.377	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.9	177.5	29.3	-34.9	0	0	0	113.4	T19 F27 Y28 H29	T19-P25 HydrophobicContact CG2-CB 4.07Å; P25-F27 VanDerWaalsContact C-N 3.29Å; P25-F27 PolarHBondContact O-N 2.84Å; P25-Y28 PolarHBondContact O-N 2.92Å; P25-H29 PolarHBondContact O-ND1 3.33Å
26	L	91.8	Very high	94.4	Very high	87 Å²	87	46.4 Å²	46.4	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-35.1	-179.5	-176.2	62.3	0	0	0	111	D24 Y28 H29 F30	D24-L26 PolarHBondContact O-N 3.41Å; D24-L26 WeakPolarHBondContact OD1-CB 3.46Å; D24-L26 PolarHBondContact OD1-N 2.8Å; L26-Y28 PolarHBondContact O-N 3.25Å; L26-H29 HydrophobicContact CD1-CB 4.4Å; L26-H29 WeakPolarHBondContact O-CA 3.36Å; L26-H29 VanDerWaalsContact O-CB 3.27Å; L26-H29 WeakPolarHBondContact O-CB 3.27Å; L26-H29 PolarHBondContact O-N 2.86Å; L26-F30 HydrophobicContact CD1-CE2 4.21Å; L26-F30 HydrophobicContact CD1-CZ 4.33Å; L26-F30 HydrophobicContact CD2-CE2 3.85Å; L26-F30 HydrophobicContact CD2-CZ 4.24Å; L26-F30 HydrophobicContact CG-CD2 4.22Å; L26-F30 HydrophobicContact CG-CE2 3.6Å; L26-F30 HydrophobicContact CG-CZ 4.15Å; L26-F30 PolarHBondContact O-N 2.74Å
27	F	90.8	Very high	94.4	Very high	16 Å²	16	51 Å²	51	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-34.8	176.3	-83	-61.4	0	0	0	113.5	D24 P25 H29 F30 K31 C165 F168	D24-F27 HydrophobicContact CB-CD2 3.81Å; D24-F27 HydrophobicContact CB-CE2 4.24Å; D24-F27 VanDerWaalsContact CG-CD2 3.5Å; D24-F27 WeakPolarHBondContact OD2-CD2 3.44Å; D24-F27 WeakPolarHBondContact OD2-CE2 3.4Å; P25-F27 VanDerWaalsContact C-N 3.29Å; P25-F27 PolarHBondContact O-N 2.84Å; F27-H29 VanDerWaalsContact C-N 3.31Å; F27-H29 PolarHBondContact O-N 3.12Å; F27-F30 PolarHBondContact O-N 3.39Å; F27-K31 VanDerWaalsContact O-CG 3.32Å; F27-K31 WeakPolarHBondContact O-CG 3.4Å; F27-K31 PolarHBondContact O-N 3.15Å; F27-C165 HydrophobicContact CD1-CB 4.01Å; F27-C165 HydrophobicContact CE1-CB 3.57Å; F27-C165 HydrophobicContact CZ-CB 4.39Å; F27-F168 HydrophobicContact CE1-CB 3.85Å; F27-F168 HydrophobicContact CE1-CD2 4.46Å; F27-F168 HydrophobicContact CE1-CG 4.47Å; F27-F168 HydrophobicContact CZ-CB 4.33Å
28	Y	94.6	Very high	94.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70.6	-28.2	176.4	-68.6	-74.7	0	0	0	113	A3 C4 T19 C22 P25 L26 K31 A32 I84 A160 S161	A3-Y28 HydrophobicContact CB-CE1 3.81Å; C4-Y28 HydrophobicContact CB-CD1 3.41Å; C4-Y28 VanDerWaalsContact CB-CD1 3.41Å; C4-Y28 HydrophobicContact CB-CE1 4.01Å; C4-Y28 HydrophobicContact CB-CG 3.73Å; T19-Y28 HydrophobicContact CG2-CD2 3.52Å; T19-Y28 HydrophobicContact CG2-CE2 4.29Å; T19-Y28 HydrophobicContact CG2-CG 3.83Å; C22-Y28 HydrophobicContact CB-CE2 4.04Å; P25-Y28 PolarHBondContact O-N 2.92Å; L26-Y28 PolarHBondContact O-N 3.25Å; Y28-K31 HydrophobicContact CD1-CD 4.39Å; Y28-A32 VanDerWaalsContact O-CB 3.27Å; Y28-A32 WeakPolarHBondContact O-CB 3.48Å; Y28-A32 PolarHBondContact O-N 3.45Å; Y28-I84 HydrophobicContact CD1-CB 4.37Å; Y28-I84 HydrophobicContact CD1-CD1 3.88Å; Y28-I84 HydrophobicContact CD1-CG2 4.21Å; Y28-I84 HydrophobicContact CE1-CG2 4.07Å; Y28-A160 WeakPolarHBondContact OH-CB 3Å; Y28-S161 PolarHBondContact OH-O 2.76Å
29	H	94.4	Very high	94.4	Very high	64 Å²	64	46.6 Å²	46.6	30%	0.296	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-47.9	171.8	-66.3	75.9	0	0	0	110.3	L17 P25 L26 F27 A32 H33	L17-H29 HydrophobicContact CD1-CB 4.36Å; P25-H29 PolarHBondContact O-ND1 3.33Å; L26-H29 HydrophobicContact CD1-CB 4.4Å; L26-H29 WeakPolarHBondContact O-CA 3.36Å; L26-H29 VanDerWaalsContact O-CB 3.27Å; L26-H29 WeakPolarHBondContact O-CB 3.27Å; L26-H29 PolarHBondContact O-N 2.86Å; F27-H29 VanDerWaalsContact C-N 3.31Å; F27-H29 PolarHBondContact O-N 3.12Å; H29-A32 PolarHBondContact O-N 2.8Å; H29-H33 WeakPolarHBondContact O-CB 3.44Å; H29-H33 PolarHBondContact O-CD2 3.31Å; H29-H33 PolarHBondContact O-N 3.19Å
30	F	94.9	Very high	94.3	Very high	87 Å²	87	49.3 Å²	49.3	38%	0.382	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-44.6	178.1	-65.4	-53.8	0	0	0	112.3	L26 F27 A32 H33 S34	L26-F30 HydrophobicContact CD1-CE2 4.21Å; L26-F30 HydrophobicContact CD1-CZ 4.33Å; L26-F30 HydrophobicContact CD2-CE2 3.85Å; L26-F30 HydrophobicContact CD2-CZ 4.24Å; L26-F30 HydrophobicContact CG-CD2 4.22Å; L26-F30 HydrophobicContact CG-CE2 3.6Å; L26-F30 HydrophobicContact CG-CZ 4.15Å; L26-F30 PolarHBondContact O-N 2.74Å; F27-F30 PolarHBondContact O-N 3.39Å; F30-A32 PolarHBondContact O-N 3.37Å; F30-H33 PolarHBondContact O-N 2.97Å; F30-S34 WeakPolarHBondContact O-CB 3.45Å; F30-S34 PolarHBondContact O-N 2.79Å; F30-S34 PolarHBondContact O-OG 3.29Å; F30-S34 VanDerWaalsContact O-OG 3.12Å
31	K	94	Very high	94.2	Very high	14 Å²	14	53.4 Å²	53.4	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-40.5	177.1	-69.4	169.6	-169.7	-82.9	0	112.4	F27 Y28 S34 A35 Y63 M65 H68 I84	F27-K31 VanDerWaalsContact O-CG 3.32Å; F27-K31 WeakPolarHBondContact O-CG 3.4Å; F27-K31 PolarHBondContact O-N 3.15Å; Y28-K31 HydrophobicContact CD1-CD 4.39Å; K31-S34 PolarHBondContact O-OG 3.1Å; K31-S34 VanDerWaalsContact O-OG 3.09Å; K31-A35 PolarHBondContact O-N 3.14Å; K31-Y63 PolarHBondContact O-OH 2.71Å; K31-M65 HydrophobicContact CD-SD 4.25Å; K31-M65 HydrophobicContact CG-SD 4Å; K31-M65 PolarHBondContact NZ-SD 3.26Å; K31-H68 PolarHBondContact NZ-ND1 3.01Å; K31-I84 HydrophobicContact CB-CD1 3.7Å
32	A	96.5	Very high	94.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-45.5	177.9	0	0	0	0	0	111.5	A6 L17 Y28 H29 F30 A35 I82 I84	A6-A32 HydrophobicContact CB-CB 3.98Å; L17-A32 HydrophobicContact CD1-CB 4.44Å; Y28-A32 VanDerWaalsContact O-CB 3.27Å; Y28-A32 WeakPolarHBondContact O-CB 3.48Å; Y28-A32 PolarHBondContact O-N 3.45Å; H29-A32 PolarHBondContact O-N 2.8Å; F30-A32 PolarHBondContact O-N 3.37Å; A32-A35 WeakPolarHBondContact O-CB 3.3Å; A32-A35 PolarHBondContact O-N 2.88Å; A32-I82 HydrophobicContact CB-CD1 4.36Å; A32-I82 HydrophobicContact CB-CG2 4.49Å; A32-I82 WeakPolarHBondContact O-CD1 3.4Å; A32-I84 HydrophobicContact CB-CD1 4.49Å
33	H	96.3	Very high	94.2	Very high	70 Å²	70	50.9 Å²	50.9	32%	0.324	27%	0.271	S	S	.	.	H	α-helix	trans	-69.4	-37.6	-179.5	-87.4	-74.6	0	0	0	113.3	H29 F30 A35 L36	H29-H33 WeakPolarHBondContact O-CB 3.44Å; H29-H33 PolarHBondContact O-CD2 3.31Å; H29-H33 PolarHBondContact O-N 3.19Å; F30-H33 PolarHBondContact O-N 2.97Å; H33-A35 PolarHBondContact O-N 3.06Å; H33-L36 VanDerWaalsContact O-CB 3.3Å; H33-L36 WeakPolarHBondContact O-CB 3.43Å; H33-L36 WeakPolarHBondContact O-CG 3.48Å; H33-L36 PolarHBondContact O-N 3.24Å; H33-L36 VanDerWaalsContact O-N 3.09Å
34	S	95.8	Very high	94.2	Very high	58 Å²	58	48.3 Å²	48.3	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-19.4	175.5	65.4	0	0	0	0	113.1	F30 K31 L36 Y63	F30-S34 WeakPolarHBondContact O-CB 3.45Å; F30-S34 PolarHBondContact O-N 2.79Å; F30-S34 PolarHBondContact O-OG 3.29Å; F30-S34 VanDerWaalsContact O-OG 3.12Å; K31-S34 PolarHBondContact O-OG 3.1Å; K31-S34 VanDerWaalsContact O-OG 3.09Å; S34-L36 VanDerWaalsContact C-N 3.27Å; S34-L36 PolarHBondContact O-N 3.49Å; S34-Y63 PolarHBondContact OG-OH 3.04Å
35	A	97.5	Very high	94	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-76.4	-13	175.8	0	0	0	0	0	113.8	K31 A32 H33 D37 V38 I39 L62 Y63 I70 I82	K31-A35 PolarHBondContact O-N 3.14Å; A32-A35 WeakPolarHBondContact O-CB 3.3Å; A32-A35 PolarHBondContact O-N 2.88Å; H33-A35 PolarHBondContact O-N 3.06Å; A35-D37 VanDerWaalsContact C-N 3.34Å; A35-D37 PolarHBondContact O-N 3.47Å; A35-V38 PolarHBondContact O-N 3.01Å; A35-I39 WeakPolarHBondContact O-CG1 3.49Å; A35-I39 PolarHBondContact O-N 3.44Å; A35-I39 VanDerWaalsContact O-N 3.1Å; A35-L62 HydrophobicContact CB-CD1 3.76Å; A35-Y63 HydrophobicContact CB-CE1 3.68Å; A35-I70 HydrophobicContact CB-CG2 3.99Å; A35-I82 HydrophobicContact CB-CD1 4.08Å
36	L	98.1	Very high	93.5	Very high	11 Å²	11	51.7 Å²	51.7	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-39.9	179.9	-68.9	174.8	0	0	0	112.1	I8 N12 H33 S34 V38 I39 E40 K80	I8-L36 HydrophobicContact CD1-CD1 4.26Å; I8-L36 HydrophobicContact CD1-CD2 3.79Å; I8-L36 HydrophobicContact CD1-CG 4.17Å; I8-L36 HydrophobicContact CG2-CD1 4.46Å; I8-L36 HydrophobicContact CG2-CD2 4.11Å; N12-L36 HydrophobicContact CB-CD1 4.2Å; H33-L36 VanDerWaalsContact O-CB 3.3Å; H33-L36 WeakPolarHBondContact O-CB 3.43Å; H33-L36 WeakPolarHBondContact O-CG 3.48Å; H33-L36 PolarHBondContact O-N 3.24Å; H33-L36 VanDerWaalsContact O-N 3.09Å; S34-L36 VanDerWaalsContact C-N 3.27Å; S34-L36 PolarHBondContact O-N 3.49Å; L36-V38 VanDerWaalsContact C-N 3.31Å; L36-V38 PolarHBondContact O-N 2.95Å; L36-I39 HydrophobicContact CD2-CD1 4.42Å; L36-I39 WeakPolarHBondContact O-CB 3.45Å; L36-I39 PolarHBondContact O-N 2.65Å; L36-I39 VanDerWaalsContact O-N 3.09Å; L36-E40 WeakPolarHBondContact O-CG 3.32Å; L36-E40 PolarHBondContact O-N 3.17Å; L36-K80 HydrophobicContact CD2-CD 3.6Å
37	D	96.7	Very high	92.6	Very high	112 Å²	112	52.7 Å²	52.7	60%	0.599	27%	0.272	S	S	*	.	H	α-helix	trans	-58.8	-44.4	178.1	-60.3	-21.3	0	0	0	111.1	A35 I39 E40 D41	A35-D37 VanDerWaalsContact C-N 3.34Å; A35-D37 PolarHBondContact O-N 3.47Å; D37-I39 VanDerWaalsContact C-N 3.33Å; D37-I39 PolarHBondContact O-N 3.17Å; D37-E40 PolarHBondContact O-N 3.31Å; D37-D41 PolarHBondContact O-N 3.41Å
38	V	97.1	Very high	91.6	Very high	41 Å²	41	57.1 Å²	57.1	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-66.5	-35.9	177.7	-177.2	0	0	0	0	111.8	A35 L36 K42 L62 Y63	A35-V38 PolarHBondContact O-N 3.01Å; L36-V38 VanDerWaalsContact C-N 3.31Å; L36-V38 PolarHBondContact O-N 2.95Å; V38-K42 WeakPolarHBondContact O-CG 3.48Å; V38-K42 PolarHBondContact O-N 3.05Å; V38-L62 HydrophobicContact CB-CB 4.47Å; V38-L62 HydrophobicContact CG1-CB 4.04Å; V38-L62 HydrophobicContact CG1-CD2 4.22Å; V38-Y63 HydrophobicContact CG2-CD1 4.09Å
39	I	97.2	Very high	90.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-47.1	175	-69.2	170.7	0	0	0	109.9	A35 L36 D37 D41 K42 L43 L59 L62 V74 K80 I82	A35-I39 WeakPolarHBondContact O-CG1 3.49Å; A35-I39 PolarHBondContact O-N 3.44Å; A35-I39 VanDerWaalsContact O-N 3.1Å; L36-I39 HydrophobicContact CD2-CD1 4.42Å; L36-I39 WeakPolarHBondContact O-CB 3.45Å; L36-I39 PolarHBondContact O-N 2.65Å; L36-I39 VanDerWaalsContact O-N 3.09Å; D37-I39 VanDerWaalsContact C-N 3.33Å; D37-I39 PolarHBondContact O-N 3.17Å; I39-D41 VanDerWaalsContact C-N 3.33Å; I39-D41 PolarHBondContact O-N 2.94Å; I39-K42 PolarHBondContact O-N 3.45Å; I39-L43 HydrophobicContact CG2-CD1 3.83Å; I39-L43 HydrophobicContact CG2-CG 4.27Å; I39-L43 WeakPolarHBondContact O-CB 3.5Å; I39-L43 VanDerWaalsContact O-CG 3.27Å; I39-L43 WeakPolarHBondContact O-CG 3.26Å; I39-L43 PolarHBondContact O-N 3.5Å; I39-L59 HydrophobicContact CB-CD1 4.25Å; I39-L59 HydrophobicContact CG1-CD1 3.88Å; I39-L59 HydrophobicContact CG2-CD1 3.96Å; I39-L62 HydrophobicContact CD1-CD1 3.88Å; I39-L62 HydrophobicContact CG1-CD1 3.69Å; I39-L62 HydrophobicContact CG1-CD2 3.97Å; I39-V74 HydrophobicContact CG2-CG2 3.8Å; I39-K80 HydrophobicContact CD1-CB 4.37Å; I39-K80 HydrophobicContact CG2-CD 4.22Å; I39-K80 HydrophobicContact CG2-CG 4.4Å; I39-I82 HydrophobicContact CD1-CD1 4.03Å; I39-I82 HydrophobicContact CD1-CG1 4.06Å
40	E	95.1	Very high	88.5	Confident	84 Å²	84	59.4 Å²	59.4	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-42.8	179.2	-71.1	-179.8	-171.8	0	0	111.5	N12 L36 D37 K42 L43 S44	N12-E40 PolarHBondContact ND2-OE1 3.36Å; L36-E40 WeakPolarHBondContact O-CG 3.32Å; L36-E40 PolarHBondContact O-N 3.17Å; D37-E40 PolarHBondContact O-N 3.31Å; E40-K42 PolarHBondContact O-N 3.39Å; E40-L43 PolarHBondContact O-N 2.97Å; E40-S44 PolarHBondContact O-N 2.81Å; E40-S44 PolarHBondContact O-OG 3.3Å
41	D	94.1	Very high	86.7	Confident	91 Å²	91	61.3 Å²	61.3	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-60.6	-42	173.1	-91.4	6.1	0	0	0	113.4	D37 I39 S44 K45	D37-D41 PolarHBondContact O-N 3.41Å; I39-D41 VanDerWaalsContact C-N 3.33Å; I39-D41 PolarHBondContact O-N 2.94Å; D41-S44 PolarHBondContact O-OG 2.88Å; D41-K45 WeakPolarHBondContact O-CD 3.41Å; D41-K45 VanDerWaalsContact O-CG 3.28Å; D41-K45 WeakPolarHBondContact O-CG 3.28Å; D41-K45 PolarHBondContact O-N 3.28Å
42	K	92.6	Very high	85.3	Confident	60 Å²	60	68.8 Å²	68.8	26%	0.261	40%	0.395	S	S	.	.	H	α-helix	trans	-68.5	-37.3	177	-78.6	-172	173.3	-176.4	0	111.5	V38 I39 E40 R46 L59 L61 L62	V38-K42 WeakPolarHBondContact O-CG 3.48Å; V38-K42 PolarHBondContact O-N 3.05Å; I39-K42 PolarHBondContact O-N 3.45Å; E40-K42 PolarHBondContact O-N 3.39Å; K42-R46 WeakPolarHBondContact O-CG 3.46Å; K42-R46 PolarHBondContact O-N 3.06Å; K42-L59 HydrophobicContact CD-CB 4.16Å; K42-L59 PolarHBondContact NZ-O 3.26Å; K42-L61 PolarHBondContact NZ-O 2.87Å; K42-L62 HydrophobicContact CD-CD2 4.2Å
43	L	90.8	Very high	83.8	Confident	57 Å²	57	72.5 Å²	72.5	30%	0.298	42%	0.415	S	S	.	.	H	α-helix	trans	-70.3	-35.5	177.9	-68.4	175.7	0	0	0	112.4	I39 E40 R46 V74	I39-L43 HydrophobicContact CG2-CD1 3.83Å; I39-L43 HydrophobicContact CG2-CG 4.27Å; I39-L43 WeakPolarHBondContact O-CB 3.5Å; I39-L43 VanDerWaalsContact O-CG 3.27Å; I39-L43 WeakPolarHBondContact O-CG 3.26Å; I39-L43 PolarHBondContact O-N 3.5Å; E40-L43 PolarHBondContact O-N 2.97Å; L43-R46 PolarHBondContact O-N 3.47Å; L43-V74 HydrophobicContact CD1-CG1 4.43Å; L43-V74 HydrophobicContact CD2-CG1 4.41Å
44	S	89.5	Confident	82.4	Confident	62 Å²	62	73.7 Å²	73.7	43%	0.434	42%	0.421	S	S	.	.	H	α-helix	trans	-71	-36.1	177.3	67.9	0	0	0	0	112.8	E40 D41 R46 T47	E40-S44 PolarHBondContact O-N 2.81Å; E40-S44 PolarHBondContact O-OG 3.3Å; D41-S44 PolarHBondContact O-OG 2.88Å; S44-R46 VanDerWaalsContact C-N 3.25Å; S44-R46 PolarHBondContact O-N 2.89Å; S44-T47 PolarHBondContact O-N 2.94Å; S44-T47 PolarHBondContact O-OG1 3.19Å
45	K	85.9	Confident	81.4	Confident	143 Å²	143	77.7 Å²	77.7	62%	0.622	44%	0.437	S	S	*	.	H	α-helix	trans	-66.4	-27.2	176.5	-72	167.6	-172.3	167.6	0	112.9	D41	D41-K45 WeakPolarHBondContact O-CD 3.41Å; D41-K45 VanDerWaalsContact O-CG 3.28Å; D41-K45 WeakPolarHBondContact O-CG 3.28Å; D41-K45 PolarHBondContact O-N 3.28Å
46	R	80.2	Confident	81	Confident	28 Å²	28	80.9 Å²	80.9	11%	0.106	45%	0.451	C	S	.	.	H	α-helix	trans	-66.9	-37.6	179	-79.8	172.1	175.7	-163	-10.3	113.2	K42 L43 S44 S48 D53 Q54 E56 L59	K42-R46 WeakPolarHBondContact O-CG 3.46Å; K42-R46 PolarHBondContact O-N 3.06Å; L43-R46 PolarHBondContact O-N 3.47Å; S44-R46 VanDerWaalsContact C-N 3.25Å; S44-R46 PolarHBondContact O-N 2.89Å; R46-S48 PolarHBondContact O-N 2.93Å; R46-D53 IonicContact CZ-OD1 3.63Å; R46-D53 PolarHBondContact NE-O 3.43Å; R46-D53 IonicContact NE-OD1 2.87Å; R46-D53 PolarHBondContact NH2-O 3.15Å; R46-D53 IonicContact NH2-OD1 3.48Å; R46-D53 PolarHBondContact NH2-OD1 3.48Å; R46-Q54 HydrophobicContact CB-CG 4.11Å; R46-Q54 WeakPolarHBondContact O-CG 3.47Å; R46-Q54 PolarHBondContact O-NE2 3.06Å; R46-E56 PolarHBondContact NH1-O 2.76Å; R46-E56 PolarHBondContact NH2-O 3.21Å; R46-L59 VanDerWaalsContact CZ-CD2 3.41Å; R46-L59 VanDerWaalsContact NH2-CD2 3.35Å
47	T	72.3	Confident	80.9	Confident	108 Å²	108	83.1 Å²	83.1	66%	0.663	46%	0.462	S	S	*	.	H	α-helix	trans	-70.6	-21.3	-177.5	52.3	0	0	0	0	113.4	S44	S44-T47 PolarHBondContact O-N 2.94Å; S44-T47 PolarHBondContact O-OG1 3.19Å
48	S	70.3	Confident	80.8	Confident	109 Å²	109	78.3 Å²	78.3	76%	0.762	44%	0.435	S	S	*	.	H	α-helix	trans	-93.1	-18.3	-175.3	-56	0	0	0	0	113.8	R46	R46-S48 PolarHBondContact O-N 2.93Å
49	G	63.1	Low	80.8	Confident	30 Å²	30	77 Å²	77	31%	0.309	43%	0.427	S	S	.	.	S	Bend	trans	-110.6	124.2	-179.5	0	0	0	0	0	111.7	N51 Q54	G49-N51 PolarHBondContact O-N 3.04Å; G49-Q54 PolarHBondContact O-NE2 2.97Å
50	G	60.7	Low	80.7	Confident	83 Å²	83	77.5 Å²	77.5	86%	0.856	43%	0.432	S	S	*	.			trans	-67.4	28.6	176	0	0	0	0	0	115.3
51	N	57.6	Low	80.7	Confident	126 Å²	126	76.5 Å²	76.5	67%	0.674	43%	0.429	S	S	*	.	S	Bend	trans	-92.5	148.6	-178.1	-79.6	-15.5	0	0	0	111.8	G49 D53 Q54	G49-N51 PolarHBondContact O-N 3.04Å; N51-D53 PolarHBondContact O-N 3.35Å; N51-Q54 PolarHBondContact O-N 3.3Å
52	H	63.1	Low	80.8	Confident	171 Å²	171	73 Å²	73	79%	0.792	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-55.4	-8	176.7	-159.4	-56.8	0	0	0	114.5	Q54	H52-Q54 PolarHBondContact O-N 3.48Å
53	D	65.7	Low	80.9	Confident	78 Å²	78	72.4 Å²	72.4	42%	0.417	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-67.6	-17.5	175.6	-172.7	14.3	0	0	0	113.1	R46 N51 L55 E56	R46-D53 IonicContact CZ-OD1 3.63Å; R46-D53 PolarHBondContact NE-O 3.43Å; R46-D53 IonicContact NE-OD1 2.87Å; R46-D53 PolarHBondContact NH2-O 3.15Å; R46-D53 IonicContact NH2-OD1 3.48Å; R46-D53 PolarHBondContact NH2-OD1 3.48Å; N51-D53 PolarHBondContact O-N 3.35Å; D53-L55 PolarHBondContact O-N 2.92Å; D53-L55 VanDerWaalsContact O-N 3.14Å; D53-E56 PolarHBondContact O-N 3.3Å; D53-E56 VanDerWaalsContact O-N 3.1Å
54	Q	66.1	Low	81	Confident	96 Å²	96	73.4 Å²	73.4	45%	0.449	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-59.1	-30	177.6	-69.4	-169.7	45.5	0	0	113.7	R46 G49 N51 H52	R46-Q54 HydrophobicContact CB-CG 4.11Å; R46-Q54 WeakPolarHBondContact O-CG 3.47Å; R46-Q54 PolarHBondContact O-NE2 3.06Å; G49-Q54 PolarHBondContact O-NE2 2.97Å; N51-Q54 PolarHBondContact O-N 3.3Å; H52-Q54 PolarHBondContact O-N 3.48Å
55	L	76.5	Confident	81.1	Confident	142 Å²	142	73.7 Å²	73.7	74%	0.743	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-92.3	-8.4	-178.7	-60.9	177.9	0	0	0	113	D53 Q57	D53-L55 PolarHBondContact O-N 2.92Å; D53-L55 VanDerWaalsContact O-N 3.14Å; L55-Q57 PolarHBondContact O-N 2.85Å; L55-Q57 VanDerWaalsContact O-N 3.12Å
56	E	88	Confident	81.1	Confident	66 Å²	66	74.3 Å²	74.3	31%	0.308	42%	0.417	S	S	.	.			trans	-76	107.8	-175.5	-167.1	169.5	-159.8	0	0	110.7	R46 D53 Y58 R112	R46-E56 PolarHBondContact NH1-O 2.76Å; R46-E56 PolarHBondContact NH2-O 3.21Å; D53-E56 PolarHBondContact O-N 3.3Å; D53-E56 VanDerWaalsContact O-N 3.1Å; E56-Y58 VanDerWaalsContact C-N 3.26Å; E56-Y58 WeakPolarHBondContact CG-O 3.15Å; E56-Y58 PolarHBondContact O-N 2.87Å; E56-R112 IonicContact OE1-CZ 3.22Å; E56-R112 IonicContact OE1-NH1 2.86Å; E56-R112 PolarHBondContact OE1-NH1 2.92Å; E56-R112 IonicContact OE1-NH2 2.71Å; E56-R112 PolarHBondContact OE1-NH2 3.46Å
57	Q	95.3	Very high	81.5	Confident	59 Å²	59	75.5 Å²	75.5	28%	0.276	43%	0.425	S	S	.	.			trans	-68.1	-27.8	179.4	-64.6	176.6	-50.3	0	0	112.4	L55 Y73 V74	L55-Q57 PolarHBondContact O-N 2.85Å; L55-Q57 VanDerWaalsContact O-N 3.12Å; Q57-Y73 HydrophobicContact CB-CD1 4.44Å; Q57-Y73 HydrophobicContact CB-CD2 4.23Å; Q57-Y73 HydrophobicContact CB-CE1 3.84Å; Q57-Y73 HydrophobicContact CB-CE2 3.57Å; Q57-Y73 WeakPolarHBondContact CB-OH 3.38Å; Q57-Y73 CarbonylContact O-C 3.57Å; Q57-Y73 VanDerWaalsContact O-CA 3.26Å; Q57-Y73 WeakPolarHBondContact O-CA 3.36Å; Q57-Y73 WeakPolarHBondContact O-CD2 3.41Å; Q57-Y73 PolarHBondContact OE1-OH 3.21Å; Q57-V74 VanDerWaalsContact CA-O 3.28Å; Q57-V74 WeakPolarHBondContact CA-O 3.45Å; Q57-V74 WeakPolarHBondContact CB-O 3.27Å; Q57-V74 WeakPolarHBondContact CG-O 3.5Å; Q57-V74 PolarHBondContact O-N 2.92Å
58	Y	96.5	Very high	82.4	Confident	11 Å²	11	70.5 Å²	70.5	4%	0.043	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.8	175.3	-178.9	-118	0	0	0	110.3	E56 G60 Y71 Y73 D108 V111 F115	E56-Y58 VanDerWaalsContact C-N 3.26Å; E56-Y58 WeakPolarHBondContact CG-O 3.15Å; E56-Y58 PolarHBondContact O-N 2.87Å; Y58-G60 VanDerWaalsContact CZ-CA 3.43Å; Y58-Y71 VanDerWaalsContact OH-CD1 3.32Å; Y58-Y71 WeakPolarHBondContact OH-CD1 3.46Å; Y58-Y73 HydrophobicContact CD2-CD2 4.35Å; Y58-D108 HydrophobicContact CE1-CB 4.33Å; Y58-D108 PolarHBondContact OH-OD1 2.84Å; Y58-V111 HydrophobicContact CE2-CG1 4.05Å; Y58-F115 AromaticContact CD2-CD2 3.85Å; Y58-F115 HydrophobicContact CD2-CD2 3.85Å; Y58-F115 HydrophobicContact CD2-CE2 4.22Å; Y58-F115 AromaticContact CE2-CD2 3.75Å; Y58-F115 HydrophobicContact CE2-CD2 3.75Å; Y58-F115 AromaticContact CE2-CE2 3.86Å; Y58-F115 HydrophobicContact CE2-CE2 3.86Å
59	L	95.7	Very high	83.5	Confident	13 Å²	13	68.5 Å²	68.5	7%	0.068	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-11	178.2	-58.4	-173.6	0	0	0	112.8	I39 K42 R46 L62 G72 V74	I39-L59 HydrophobicContact CB-CD1 4.25Å; I39-L59 HydrophobicContact CG1-CD1 3.88Å; I39-L59 HydrophobicContact CG2-CD1 3.96Å; K42-L59 HydrophobicContact CD-CB 4.16Å; K42-L59 PolarHBondContact NZ-O 3.26Å; R46-L59 VanDerWaalsContact CZ-CD2 3.41Å; R46-L59 VanDerWaalsContact NH2-CD2 3.35Å; L59-L62 HydrophobicContact CB-CD2 4.01Å; L59-L62 HydrophobicContact CD1-CD2 4.11Å; L59-G72 WeakPolarHBondContact CB-O 3.37Å; L59-G72 PolarHBondContact N-O 3.49Å; L59-V74 HydrophobicContact CD1-CG2 3.61Å; L59-V74 HydrophobicContact CG-CG2 4.14Å
60	G	95.2	Very high	85.1	Confident	10 Å²	10	67.1 Å²	67.1	10%	0.103	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.3	-160.2	-173.1	0	0	0	0	0	113.5	Y58 L62 Y71 G72	Y58-G60 VanDerWaalsContact CZ-CA 3.43Å; G60-L62 PolarHBondContact O-N 3.47Å; G60-Y71 WeakPolarHBondContact O-CA 3.15Å; G60-G72 PolarHBondContact O-N 3.35Å
61	L	95.8	Very high	86.9	Confident	64 Å²	64	63.9 Å²	63.9	34%	0.335	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	125.1	169.8	-176.1	70.2	0	0	0	109.1	K42 R69 I70 Y71	K42-L61 PolarHBondContact NZ-O 2.87Å; L61-R69 HydrophobicContact CD1-CB 4.02Å; L61-I70 WeakPolarHBondContact CD1-O 3.4Å; L61-Y71 HydrophobicContact CB-CD1 4.2Å; L61-Y71 HydrophobicContact CB-CE1 3.95Å; L61-Y71 HydrophobicContact CD1-CD2 4.31Å; L61-Y71 HydrophobicContact CD1-CE1 4.3Å; L61-Y71 HydrophobicContact CD1-CE2 3.99Å
62	L	96.9	Very high	88.9	Confident	17 Å²	17	57.9 Å²	57.9	9%	0.089	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-57.1	174.3	-61.7	-179.7	0	0	0	109.3	A35 V38 I39 K42 L59 G60 I70	A35-L62 HydrophobicContact CB-CD1 3.76Å; V38-L62 HydrophobicContact CB-CB 4.47Å; V38-L62 HydrophobicContact CG1-CB 4.04Å; V38-L62 HydrophobicContact CG1-CD2 4.22Å; I39-L62 HydrophobicContact CD1-CD1 3.88Å; I39-L62 HydrophobicContact CG1-CD1 3.69Å; I39-L62 HydrophobicContact CG1-CD2 3.97Å; K42-L62 HydrophobicContact CD-CD2 4.2Å; L59-L62 HydrophobicContact CB-CD2 4.01Å; L59-L62 HydrophobicContact CD1-CD2 4.11Å; G60-L62 PolarHBondContact O-N 3.47Å; L62-I70 HydrophobicContact CD1-CG2 4.2Å; L62-I70 PolarHBondContact N-O 3.47Å
63	Y	94.5	Very high	90.5	Very high	48 Å²	48	50.3 Å²	50.3	19%	0.188	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	149.3	171.1	61.4	-87.4	0	0	0	110.7	K31 S34 A35 V38 M65 I70	K31-Y63 PolarHBondContact O-OH 2.71Å; S34-Y63 PolarHBondContact OG-OH 3.04Å; A35-Y63 HydrophobicContact CB-CE1 3.68Å; V38-Y63 HydrophobicContact CG2-CD1 4.09Å; Y63-M65 HydrophobicContact CD2-CG 4.01Å; Y63-M65 HydrophobicContact CE2-CG 3.64Å; Y63-M65 HydrophobicContact CE2-SD 4.09Å; Y63-I70 HydrophobicContact CD2-CD1 3.99Å; Y63-I70 HydrophobicContact CE1-CB 4.3Å; Y63-I70 HydrophobicContact CE1-CG1 4.41Å; Y63-I70 HydrophobicContact CE1-CG2 4.35Å; Y63-I70 HydrophobicContact CE2-CD1 3.53Å; Y63-I70 HydrophobicContact CE2-CG1 4.05Å; Y63-I70 PolarHBondContact O-N 2.91Å
64	P	92.6	Very high	92.1	Very high	78 Å²	78	47 Å²	47	51%	0.506	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	145.7	167.6	34.2	-32.4	0	0	0	110.8
65	M	90.3	Very high	93.5	Very high	67 Å²	67	42.7 Å²	42.7	33%	0.33	21%	0.213	S	C	.	.			trans	-108.8	-177.3	159.7	-63.9	-163.2	77	0	0	109.4	K31 Y63 H68 R69 I70	K31-M65 HydrophobicContact CD-SD 4.25Å; K31-M65 HydrophobicContact CG-SD 4Å; K31-M65 PolarHBondContact NZ-SD 3.26Å; Y63-M65 HydrophobicContact CD2-CG 4.01Å; Y63-M65 HydrophobicContact CE2-CG 3.64Å; Y63-M65 HydrophobicContact CE2-SD 4.09Å; M65-H68 HydrophobicContact CB-CB 4.18Å; M65-H68 PolarHBondContact N-O 2.88Å; M65-R69 PolarHBondContact O-NH1 3.48Å; M65-I70 HydrophobicContact CB-CD1 4.48Å; M65-I70 HydrophobicContact CG-CD1 3.74Å; M65-I70 HydrophobicContact SD-CD1 4.26Å
66	E	86.8	Confident	94.3	Very high	157 Å²	157	42.1 Å²	42.1	73%	0.734	21%	0.21	S	C	*	.	S	Bend	trans	-56.7	-63.8	174.4	-170.9	167.6	-168.5	0	0	110.7
67	D	88.8	Confident	94.6	Very high	53 Å²	53	43 Å²	43	28%	0.283	22%	0.22	S	C	.	.	S	Bend	trans	-101	0	-176.6	-56.3	-44.3	0	0	0	114.3	E86 S87	D67-E86 CarbonylContact O-C 3.5Å; D67-E86 WeakPolarHBondContact O-CA 3.28Å; D67-S87 PolarHBondContact O-N 3.4Å
68	H	91.9	Very high	94.7	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.3	-177	-57.6	99	0	0	0	112.8	K31 M65 I70 I84 F85 S161	K31-H68 PolarHBondContact NZ-ND1 3.01Å; M65-H68 HydrophobicContact CB-CB 4.18Å; M65-H68 PolarHBondContact N-O 2.88Å; H68-I70 HydrophobicContact CB-CD1 4.14Å; H68-I84 HydrophobicContact CB-CG2 3.95Å; H68-F85 CarbonylContact C-O 3.59Å; H68-F85 VanDerWaalsContact CA-O 3.24Å; H68-F85 WeakPolarHBondContact CA-O 3.46Å; H68-S161 PolarHBondContact NE2-O 2.84Å; H68-S161 VanDerWaalsContact NE2-O 3.11Å
69	R	93.5	Very high	94.7	Very high	68 Å²	68	47.1 Å²	47.1	26%	0.257	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.4	171.2	-61.6	-70.1	-179.2	-86.9	1.7	108.2	L61 M65 Y71 F85	L61-R69 HydrophobicContact CD1-CB 4.02Å; M65-R69 PolarHBondContact O-NH1 3.48Å; R69-Y71 HydrophobicContact CB-CD2 4.36Å; R69-Y71 HydrophobicContact CB-CE2 3.67Å; R69-F85 PolarHBondContact N-O 3.3Å; R69-F85 PolarHBondContact O-N 2.67Å
70	I	96.8	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.9	-173.7	-59.1	76.9	0	0	0	108.3	A35 L61 L62 Y63 M65 H68 I82 I84	A35-I70 HydrophobicContact CB-CG2 3.99Å; L61-I70 WeakPolarHBondContact CD1-O 3.4Å; L62-I70 HydrophobicContact CD1-CG2 4.2Å; L62-I70 PolarHBondContact N-O 3.47Å; Y63-I70 HydrophobicContact CD2-CD1 3.99Å; Y63-I70 HydrophobicContact CE1-CB 4.3Å; Y63-I70 HydrophobicContact CE1-CG1 4.41Å; Y63-I70 HydrophobicContact CE1-CG2 4.35Å; Y63-I70 HydrophobicContact CE2-CD1 3.53Å; Y63-I70 HydrophobicContact CE2-CG1 4.05Å; Y63-I70 PolarHBondContact O-N 2.91Å; M65-I70 HydrophobicContact CB-CD1 4.48Å; M65-I70 HydrophobicContact CG-CD1 3.74Å; M65-I70 HydrophobicContact SD-CD1 4.26Å; H68-I70 HydrophobicContact CB-CD1 4.14Å; I70-I82 HydrophobicContact CG2-CG2 3.72Å; I70-I84 HydrophobicContact CG1-CG1 4.16Å; I70-I84 HydrophobicContact CG1-CG2 4.32Å; I70-I84 HydrophobicContact CG2-CG1 4.37Å
71	Y	97.9	Very high	95	Very high	15 Å²	15	46.5 Å²	46.5	6%	0.059	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.3	178.8	-66.7	-102.4	0	0	0	110.9	Y58 G60 L61 R69 I82 M83 F85 V111	Y58-Y71 VanDerWaalsContact OH-CD1 3.32Å; Y58-Y71 WeakPolarHBondContact OH-CD1 3.46Å; G60-Y71 WeakPolarHBondContact O-CA 3.15Å; L61-Y71 HydrophobicContact CB-CD1 4.2Å; L61-Y71 HydrophobicContact CB-CE1 3.95Å; L61-Y71 HydrophobicContact CD1-CD2 4.31Å; L61-Y71 HydrophobicContact CD1-CE1 4.3Å; L61-Y71 HydrophobicContact CD1-CE2 3.99Å; R69-Y71 HydrophobicContact CB-CD2 4.36Å; R69-Y71 HydrophobicContact CB-CE2 3.67Å; Y71-I82 WeakPolarHBondContact O-CA 3.4Å; Y71-M83 PolarHBondContact N-O 3.42Å; Y71-M83 PolarHBondContact O-N 3.45Å; Y71-M83 VanDerWaalsContact O-N 3.08Å; Y71-F85 AromaticContact CD2-CD2 3.61Å; Y71-F85 HydrophobicContact CD2-CD2 3.61Å; Y71-F85 AromaticContact CD2-CE2 3.87Å; Y71-F85 HydrophobicContact CD2-CE2 3.87Å; Y71-F85 AromaticContact CE2-CD2 3.91Å; Y71-F85 HydrophobicContact CE2-CD2 3.91Å; Y71-F85 HydrophobicContact CE2-CE2 4.39Å; Y71-F85 HydrophobicContact CG-CE2 4.49Å; Y71-V111 HydrophobicContact CD1-CG1 3.83Å; Y71-V111 HydrophobicContact CD2-CG1 4.4Å; Y71-V111 HydrophobicContact CE1-CG1 4.38Å; Y71-V111 HydrophobicContact CE1-CG2 4.32Å; Y71-V111 HydrophobicContact CG-CG1 3.84Å
72	G	98.2	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.5	-176.9	0	0	0	0	0	113.3	L59 G60	L59-G72 WeakPolarHBondContact CB-O 3.37Å; L59-G72 PolarHBondContact N-O 3.49Å; G60-G72 PolarHBondContact O-N 3.35Å
73	Y	98.2	Very high	95.2	Very high	12 Å²	12	42.7 Å²	42.7	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	134.2	171.9	-178.1	-79.5	0	0	0	109.1	Q57 Y58 T75 K80 F81 F115 H119	Q57-Y73 HydrophobicContact CB-CD1 4.44Å; Q57-Y73 HydrophobicContact CB-CD2 4.23Å; Q57-Y73 HydrophobicContact CB-CE1 3.84Å; Q57-Y73 HydrophobicContact CB-CE2 3.57Å; Q57-Y73 WeakPolarHBondContact CB-OH 3.38Å; Q57-Y73 CarbonylContact O-C 3.57Å; Q57-Y73 VanDerWaalsContact O-CA 3.26Å; Q57-Y73 WeakPolarHBondContact O-CA 3.36Å; Q57-Y73 WeakPolarHBondContact O-CD2 3.41Å; Q57-Y73 PolarHBondContact OE1-OH 3.21Å; Y58-Y73 HydrophobicContact CD2-CD2 4.35Å; Y73-T75 HydrophobicContact CD1-CG2 4.48Å; Y73-T75 HydrophobicContact CE1-CG2 4.09Å; Y73-K80 CarbonylContact O-C 3.48Å; Y73-F81 AromaticContact CD1-CD2 3.5Å; Y73-F81 HydrophobicContact CD1-CD2 3.5Å; Y73-F81 VanDerWaalsContact CD1-CD2 3.5Å; Y73-F81 HydrophobicContact CD1-CE2 4.02Å; Y73-F81 HydrophobicContact CD1-CG 4.36Å; Y73-F81 HydrophobicContact CE1-CD2 4.04Å; Y73-F81 HydrophobicContact CE1-CE2 4.11Å; Y73-F81 HydrophobicContact CG-CD2 4.31Å; Y73-F81 PolarHBondContact N-O 3.22Å; Y73-F81 PolarHBondContact O-N 3.08Å; Y73-F115 HydrophobicContact CD2-CB 3.69Å; Y73-F115 HydrophobicContact CD2-CD1 4.43Å; Y73-F115 HydrophobicContact CD2-CG 4.01Å; Y73-F115 HydrophobicContact CE2-CB 4.23Å; Y73-F115 HydrophobicContact CG-CB 4.04Å; Y73-F115 AromaticContact CG-CD1 3.98Å; Y73-F115 HydrophobicContact CG-CD1 3.98Å; Y73-F115 HydrophobicContact CG-CG 4.04Å; Y73-H119 HydrophobicContact CE1-CB 4.34Å; Y73-H119 AromaticContact CE1-ND1 3.54Å; Y73-H119 AromaticContact CZ-ND1 3.56Å; Y73-H119 PolarHBondContact OH-ND1 2.59Å
74	V	97.8	Very high	95.3	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.8	-179.8	-177.5	0	0	0	0	109	I39 L43 Q57 L59 I79 K80	I39-V74 HydrophobicContact CG2-CG2 3.8Å; L43-V74 HydrophobicContact CD1-CG1 4.43Å; L43-V74 HydrophobicContact CD2-CG1 4.41Å; Q57-V74 VanDerWaalsContact CA-O 3.28Å; Q57-V74 WeakPolarHBondContact CA-O 3.45Å; Q57-V74 WeakPolarHBondContact CB-O 3.27Å; Q57-V74 WeakPolarHBondContact CG-O 3.5Å; Q57-V74 PolarHBondContact O-N 2.92Å; L59-V74 HydrophobicContact CD1-CG2 3.61Å; L59-V74 HydrophobicContact CG-CG2 4.14Å; V74-I79 WeakPolarHBondContact CA-O 3.43Å; V74-K80 HydrophobicContact CG2-CG 4.24Å
75	T	96.7	Very high	95.4	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.031	18%	0.179	C	C	.	.			trans	-66.7	162.7	175.4	61.3	0	0	0	0	111	Y73 T77 K78 I79 F81	Y73-T75 HydrophobicContact CD1-CG2 4.48Å; Y73-T75 HydrophobicContact CE1-CG2 4.09Å; T75-T77 PolarHBondContact O-N 3.25Å; T75-T77 PolarHBondContact OG1-OG1 3.16Å; T75-K78 WeakPolarHBondContact O-CA 3.49Å; T75-K78 PolarHBondContact O-N 3.24Å; T75-K78 PolarHBondContact OG1-N 3.46Å; T75-I79 HydrophobicContact CG2-CB 4.29Å; T75-I79 PolarHBondContact N-O 2.92Å; T75-I79 WeakPolarHBondContact OG1-CA 3.3Å; T75-I79 VanDerWaalsContact OG1-CB 3.3Å; T75-I79 WeakPolarHBondContact OG1-CB 3.44Å; T75-I79 PolarHBondContact OG1-N 3.21Å; T75-I79 PolarHBondContact OG1-O 2.87Å; T75-I79 VanDerWaalsContact OG1-O 3.06Å; T75-F81 HydrophobicContact CG2-CD2 4.42Å; T75-F81 HydrophobicContact CG2-CE1 4.35Å; T75-F81 HydrophobicContact CG2-CE2 3.62Å; T75-F81 HydrophobicContact CG2-CZ 3.58Å
76	N	94	Very high	95.5	Very high	130 Å²	130	35.7 Å²	35.7	70%	0.695	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.2	173.8	62.1	-31.4	0	0	0	112.8	K78	N76-K78 PolarHBondContact O-N 3.35Å
77	T	94.4	Very high	95.3	Very high	85 Å²	85	29.5 Å²	29.5	52%	0.521	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	14.8	171.3	59.6	0	0	0	0	113	T75 I79	T75-T77 PolarHBondContact O-N 3.25Å; T75-T77 PolarHBondContact OG1-OG1 3.16Å; T77-I79 PolarHBondContact O-N 3.46Å; T77-I79 VanDerWaalsContact O-N 3.15Å
78	K	95.5	Very high	94.5	Very high	145 Å²	145	32.2 Å²	32.2	63%	0.63	16%	0.158	S	C	*	.			trans	63.1	14.1	177	-55.9	-174.7	179	-177.8	0	116	D10 T75 N76	D10-K78 WeakPolarHBondContact CA-O 3.37Å; D10-K78 HydrophobicContact CB-CB 3.8Å; T75-K78 WeakPolarHBondContact O-CA 3.49Å; T75-K78 PolarHBondContact O-N 3.24Å; T75-K78 PolarHBondContact OG1-N 3.46Å; N76-K78 PolarHBondContact O-N 3.35Å
79	I	98	Very high	92.9	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.062	18%	0.183	C	C	.	.			trans	-71.4	133.7	167	-53.5	-63.2	0	0	0	108.8	V7 I8 L15 V74 T75 T77 F81 Y122	V7-I79 HydrophobicContact CG1-CG2 3.67Å; I8-I79 WeakPolarHBondContact O-CG2 3.43Å; L15-I79 HydrophobicContact CD1-CD1 4.4Å; V74-I79 WeakPolarHBondContact CA-O 3.43Å; T75-I79 HydrophobicContact CG2-CB 4.29Å; T75-I79 PolarHBondContact N-O 2.92Å; T75-I79 WeakPolarHBondContact OG1-CA 3.3Å; T75-I79 VanDerWaalsContact OG1-CB 3.3Å; T75-I79 WeakPolarHBondContact OG1-CB 3.44Å; T75-I79 PolarHBondContact OG1-N 3.21Å; T75-I79 PolarHBondContact OG1-O 2.87Å; T75-I79 VanDerWaalsContact OG1-O 3.06Å; T77-I79 PolarHBondContact O-N 3.46Å; T77-I79 VanDerWaalsContact O-N 3.15Å; I79-F81 HydrophobicContact CB-CE1 4.46Å; I79-F81 HydrophobicContact CG2-CD1 4.09Å; I79-F81 HydrophobicContact CG2-CE1 3.56Å; I79-F81 HydrophobicContact CG2-CZ 4.39Å; I79-Y122 HydrophobicContact CB-CE1 4.42Å; I79-Y122 HydrophobicContact CG1-CE1 4.04Å; I79-Y122 HydrophobicContact CG2-CE1 4.28Å; I79-Y122 HydrophobicContact CG2-CE2 4.43Å
80	K	98.4	Very high	90.8	Very high	10 Å²	10	37.4 Å²	37.4	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.6	-173.2	-52.1	165.1	-154.2	-168.9	0	108.5	I8 S9 N12 L36 I39 Y73 V74	I8-K80 HydrophobicContact CB-CB 4.27Å; I8-K80 PolarHBondContact N-O 3.23Å; I8-K80 PolarHBondContact O-N 2.83Å; S9-K80 WeakPolarHBondContact O-CE 3.35Å; N12-K80 PolarHBondContact OD1-NZ 3.08Å; L36-K80 HydrophobicContact CD2-CD 3.6Å; I39-K80 HydrophobicContact CD1-CB 4.37Å; I39-K80 HydrophobicContact CG2-CD 4.22Å; I39-K80 HydrophobicContact CG2-CG 4.4Å; Y73-K80 CarbonylContact O-C 3.48Å; V74-K80 HydrophobicContact CG2-CG 4.24Å
81	F	98.7	Very high	88.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.5	170	-53	-30.3	0	0	0	109.2	A6 V7 Y73 T75 I79 F115 L118 H119 Y122	A6-F81 WeakPolarHBondContact O-CA 3.41Å; V7-F81 HydrophobicContact CB-CD1 4.34Å; V7-F81 HydrophobicContact CG1-CD1 3.93Å; V7-F81 HydrophobicContact CG1-CE1 3.81Å; V7-F81 HydrophobicContact CG2-CD1 3.96Å; V7-F81 HydrophobicContact CG2-CE1 4.22Å; Y73-F81 AromaticContact CD1-CD2 3.5Å; Y73-F81 HydrophobicContact CD1-CD2 3.5Å; Y73-F81 VanDerWaalsContact CD1-CD2 3.5Å; Y73-F81 HydrophobicContact CD1-CE2 4.02Å; Y73-F81 HydrophobicContact CD1-CG 4.36Å; Y73-F81 HydrophobicContact CE1-CD2 4.04Å; Y73-F81 HydrophobicContact CE1-CE2 4.11Å; Y73-F81 HydrophobicContact CG-CD2 4.31Å; Y73-F81 PolarHBondContact N-O 3.22Å; Y73-F81 PolarHBondContact O-N 3.08Å; T75-F81 HydrophobicContact CG2-CD2 4.42Å; T75-F81 HydrophobicContact CG2-CE1 4.35Å; T75-F81 HydrophobicContact CG2-CE2 3.62Å; T75-F81 HydrophobicContact CG2-CZ 3.58Å; I79-F81 HydrophobicContact CB-CE1 4.46Å; I79-F81 HydrophobicContact CG2-CD1 4.09Å; I79-F81 HydrophobicContact CG2-CE1 3.56Å; I79-F81 HydrophobicContact CG2-CZ 4.39Å; F81-F115 HydrophobicContact CB-CD1 3.95Å; F81-F115 HydrophobicContact CB-CE1 3.79Å; F81-L118 HydrophobicContact CB-CD2 3.74Å; F81-L118 HydrophobicContact CD1-CD2 4.27Å; F81-L118 HydrophobicContact CD2-CD2 3.9Å; F81-L118 HydrophobicContact CD2-CG 4.1Å; F81-L118 HydrophobicContact CE2-CG 4.36Å; F81-L118 HydrophobicContact CG-CD2 3.72Å; F81-L118 HydrophobicContact CG-CG 4.28Å; F81-H119 HydrophobicContact CE2-CB 3.83Å; F81-Y122 HydrophobicContact CE1-CD1 4.34Å; F81-Y122 HydrophobicContact CE1-CD2 4.18Å; F81-Y122 HydrophobicContact CE1-CG 4.04Å; F81-Y122 AromaticContact CZ-CD1 3.89Å; F81-Y122 HydrophobicContact CZ-CD1 3.89Å; F81-Y122 HydrophobicContact CZ-CD2 4.34Å; F81-Y122 AromaticContact CZ-CG 3.74Å; F81-Y122 HydrophobicContact CZ-CG 3.74Å
82	I	98.6	Very high	85.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.4	176.7	-62.1	170.6	0	0	0	107.6	V5 A6 I8 A32 A35 I39 I70 Y71 I84	V5-I82 WeakPolarHBondContact CA-O 3.32Å; A6-I82 HydrophobicContact CB-CB 4.4Å; A6-I82 PolarHBondContact N-O 2.79Å; A6-I82 PolarHBondContact O-N 2.96Å; I8-I82 HydrophobicContact CD1-CD1 3.72Å; A32-I82 HydrophobicContact CB-CD1 4.36Å; A32-I82 HydrophobicContact CB-CG2 4.49Å; A32-I82 WeakPolarHBondContact O-CD1 3.4Å; A35-I82 HydrophobicContact CB-CD1 4.08Å; I39-I82 HydrophobicContact CD1-CD1 4.03Å; I39-I82 HydrophobicContact CD1-CG1 4.06Å; I70-I82 HydrophobicContact CG2-CG2 3.72Å; Y71-I82 WeakPolarHBondContact O-CA 3.4Å; I82-I84 HydrophobicContact CG2-CG1 4.18Å
83	M	98.1	Very high	82.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.4	170.8	-69.9	-170.3	176.5	0	0	109.1	C4 V5 Y71 F85 M114 F115 L118 L155	C4-M83 WeakPolarHBondContact O-CA 3.3Å; V5-M83 HydrophobicContact CG1-CE 4.35Å; V5-M83 HydrophobicContact CG1-CG 4.43Å; V5-M83 HydrophobicContact CG2-CE 4.26Å; V5-M83 HydrophobicContact CG2-CG 4.14Å; Y71-M83 PolarHBondContact N-O 3.42Å; Y71-M83 PolarHBondContact O-N 3.45Å; Y71-M83 VanDerWaalsContact O-N 3.08Å; M83-F85 HydrophobicContact CB-CD2 4.38Å; M83-F85 HydrophobicContact CB-CE2 3.6Å; M83-F85 HydrophobicContact CB-CZ 4.09Å; M83-F85 HydrophobicContact SD-CZ 4.14Å; M83-M114 HydrophobicContact CE-CB 4.13Å; M83-M114 HydrophobicContact SD-CB 3.91Å; M83-M114 HydrophobicContact SD-CE 4.11Å; M83-F115 HydrophobicContact CB-CE1 4.15Å; M83-F115 HydrophobicContact CB-CE2 4.44Å; M83-F115 HydrophobicContact CB-CZ 3.76Å; M83-F115 HydrophobicContact CE-CD1 4.2Å; M83-F115 HydrophobicContact CE-CE1 4.44Å; M83-F115 HydrophobicContact CG-CD1 4.27Å; M83-F115 HydrophobicContact CG-CE1 3.61Å; M83-F115 HydrophobicContact CG-CE2 4.48Å; M83-F115 HydrophobicContact CG-CZ 3.73Å; M83-F115 HydrophobicContact SD-CD1 4.28Å; M83-F115 HydrophobicContact SD-CE1 4.15Å; M83-F115 HydrophobicContact SD-CZ 4.27Å; M83-L118 HydrophobicContact CE-CB 3.9Å; M83-L118 HydrophobicContact CE-CD2 3.67Å; M83-L118 HydrophobicContact CE-CG 4.39Å; M83-L155 HydrophobicContact CE-CD1 3.89Å
84	I	96.5	Very high	79.7	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.4	178.1	-54.3	175.4	0	0	0	106.9	A2 A3 C4 Y28 K31 A32 H68 I70 I82	A2-I84 CarbonylContact C-O 3.56Å; A3-I84 WeakPolarHBondContact CA-O 3.13Å; A3-I84 WeakPolarHBondContact CB-O 3.39Å; A3-I84 PolarHBondContact N-O 3.48Å; C4-I84 HydrophobicContact CB-CB 4.17Å; C4-I84 HydrophobicContact CB-CD1 4.25Å; C4-I84 HydrophobicContact CB-CG1 4.45Å; C4-I84 PolarHBondContact N-O 3.25Å; C4-I84 PolarHBondContact O-N 3.35Å; Y28-I84 HydrophobicContact CD1-CB 4.37Å; Y28-I84 HydrophobicContact CD1-CD1 3.88Å; Y28-I84 HydrophobicContact CD1-CG2 4.21Å; Y28-I84 HydrophobicContact CE1-CG2 4.07Å; K31-I84 HydrophobicContact CB-CD1 3.7Å; A32-I84 HydrophobicContact CB-CD1 4.49Å; H68-I84 HydrophobicContact CB-CG2 3.95Å; I70-I84 HydrophobicContact CG1-CG1 4.16Å; I70-I84 HydrophobicContact CG1-CG2 4.32Å; I70-I84 HydrophobicContact CG2-CG1 4.37Å; I82-I84 HydrophobicContact CG2-CG1 4.18Å
85	F	94.7	Very high	76.9	Confident	1 Å²	1	64.8 Å²	64.8	0%	0.004	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.6	176.3	-63.3	-94	0	0	0	109.4	M1 A2 H68 R69 Y71 M83 L106 V111 M114	M1-F85 VanDerWaalsContact O-CD1 3.29Å; M1-F85 WeakPolarHBondContact O-CD1 3.34Å; A2-F85 HydrophobicContact CB-CD1 4.18Å; A2-F85 HydrophobicContact CB-CE1 3.86Å; A2-F85 HydrophobicContact CB-CZ 4.15Å; H68-F85 CarbonylContact C-O 3.59Å; H68-F85 VanDerWaalsContact CA-O 3.24Å; H68-F85 WeakPolarHBondContact CA-O 3.46Å; R69-F85 PolarHBondContact N-O 3.3Å; R69-F85 PolarHBondContact O-N 2.67Å; Y71-F85 AromaticContact CD2-CD2 3.61Å; Y71-F85 HydrophobicContact CD2-CD2 3.61Å; Y71-F85 AromaticContact CD2-CE2 3.87Å; Y71-F85 HydrophobicContact CD2-CE2 3.87Å; Y71-F85 AromaticContact CE2-CD2 3.91Å; Y71-F85 HydrophobicContact CE2-CD2 3.91Å; Y71-F85 HydrophobicContact CE2-CE2 4.39Å; Y71-F85 HydrophobicContact CG-CE2 4.49Å; M83-F85 HydrophobicContact CB-CD2 4.38Å; M83-F85 HydrophobicContact CB-CE2 3.6Å; M83-F85 HydrophobicContact CB-CZ 4.09Å; M83-F85 HydrophobicContact SD-CZ 4.14Å; F85-L106 HydrophobicContact CB-CD1 3.55Å; F85-L106 HydrophobicContact CD1-CD1 3.24Å; F85-L106 HydrophobicContact CD2-CD1 4.11Å; F85-L106 HydrophobicContact CE1-CD1 3.91Å; F85-L106 HydrophobicContact CG-CD1 3.36Å; F85-V111 HydrophobicContact CE2-CG1 4.02Å; F85-V111 HydrophobicContact CE2-CG2 4.24Å; F85-V111 HydrophobicContact CZ-CG1 4.28Å; F85-V111 HydrophobicContact CZ-CG2 4.22Å; F85-M114 HydrophobicContact CE1-CE 3.82Å; F85-M114 HydrophobicContact CE1-SD 3.74Å; F85-M114 HydrophobicContact CZ-CE 3.94Å; F85-M114 HydrophobicContact CZ-SD 3.8Å
86	E	91.1	Very high	74.4	Confident	44 Å²	44	73.9 Å²	73.9	21%	0.206	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.1	168.1	-166.9	167.5	170	0	0	109.2	D67 H88 A160 S161	D67-E86 CarbonylContact O-C 3.5Å; D67-E86 WeakPolarHBondContact O-CA 3.28Å; E86-H88 IonicContact OE1-CE1 3.27Å; E86-H88 PolarHBondContact OE1-CE1 3.14Å; E86-H88 VanDerWaalsContact OE1-CE1 3.27Å; E86-H88 IonicContact OE1-ND1 3.71Å; E86-A160 WeakPolarHBondContact OE2-CA 3.46Å; E86-S161 VanDerWaalsContact OE1-CB 3.28Å; E86-S161 WeakPolarHBondContact OE1-CB 3.43Å; E86-S161 PolarHBondContact OE1-OG 3.25Å; E86-S161 PolarHBondContact OE2-N 2.94Å; E86-S161 PolarHBondContact OE2-OG 2.81Å
87	S	83.8	Confident	71.8	Confident	27 Å²	27	72.8 Å²	72.8	19%	0.189	41%	0.411	C	S	.	.			trans	-116	99.2	177.2	169.7	0	0	0	0	107.2	D67 V89	D67-S87 PolarHBondContact O-N 3.4Å; S87-V89 PolarHBondContact O-N 3.16Å
88	H	72.6	Confident	69.1	Low	110 Å²	110	74.9 Å²	74.9	51%	0.509	43%	0.428	S	S	.	.			trans	-69.3	97.9	169.9	-54.8	-65.7	0	0	0	108.6	E86 L90 V101	E86-H88 IonicContact OE1-CE1 3.27Å; E86-H88 PolarHBondContact OE1-CE1 3.14Å; E86-H88 VanDerWaalsContact OE1-CE1 3.27Å; E86-H88 IonicContact OE1-ND1 3.71Å; H88-L90 PolarHBondContact O-N 2.85Å; H88-V101 HydrophobicContact CB-CG1 3.69Å
89	V	57.4	Low	66.7	Low	87 Å²	87	73.3 Å²	73.3	53%	0.527	43%	0.431	S	S	.	.			trans	-72.2	113.4	160.5	-177	0	0	0	0	104.6	S87 S91	S87-V89 PolarHBondContact O-N 3.16Å; V89-S91 PolarHBondContact O-N 2.83Å
90	L	48.5	Very low	63.7	Low	92 Å²	92	76.7 Å²	76.7	48%	0.482	46%	0.455	S	S	.	.			trans	-45.2	106.3	177.8	-75.3	133.3	0	0	0	109.9	H88 S92 V101 Q103	H88-L90 PolarHBondContact O-N 2.85Å; L90-S92 PolarHBondContact O-N 2.86Å; L90-V101 HydrophobicContact CD2-CB 4.11Å; L90-V101 HydrophobicContact CD2-CG1 4.45Å; L90-V101 HydrophobicContact CG-CG1 4.48Å; L90-Q103 HydrophobicContact CD1-CB 4.28Å
91	S	42.3	Very low	61.3	Low	112 Å²	112	79.4 Å²	79.4	78%	0.783	47%	0.473	S	S	*	.			trans	-64.2	83.8	150.2	46.3	0	0	0	0	105.9	V89 Q93	V89-S91 PolarHBondContact O-N 2.83Å; S91-Q93 PolarHBondContact O-N 3.18Å
92	S	39	Very low	58.5	Low	96 Å²	96	85.9 Å²	85.9	67%	0.671	50%	0.503	S	S	*	.			trans	-58.7	80.2	155	53.5	0	0	0	0	107.6	L90	L90-S92 PolarHBondContact O-N 2.86Å
93	Q	41	Very low	56.1	Low	172 Å²	172	93 Å²	93	80%	0.804	54%	0.536	S	S	*	.			trans	-175.9	114	154.6	-101.7	155.5	77.9	0	0	111.2	S91	S91-Q93 PolarHBondContact O-N 3.18Å
94	S	36.2	Very low	54	Low	109 Å²	109	97.5 Å²	97.5	76%	0.762	56%	0.564	S	S	*	*			trans	82.4	117.6	153.4	68	0	0	0	0	120.7
95	T	39.7	Very low	52.4	Low	123 Å²	123	105 Å²	105	76%	0.755	60%	0.599	S	S	*	*			trans	78.2	87.7	147.3	54.1	0	0	0	0	120.3
96	Q	44.7	Very low	51.6	Low	195 Å²	195	106.8 Å²	106.8	91%	0.911	61%	0.608	S	S	*	*			trans	53.3	68.1	130.5	-64.5	-177.6	19.2	0	0	117.2
97	S	39.1	Very low	51.4	Low	108 Å²	108	111.7 Å²	111.7	76%	0.755	62%	0.624	S	S	*	*			trans	-145.3	112.8	134.6	43.7	0	0	0	0	108.6	V99	S97-V99 VanDerWaalsContact C-N 3.28Å; S97-V99 PolarHBondContact O-N 2.82Å
98	S	37.4	Very low	51.7	Low	128 Å²	128	114.4 Å²	114.4	90%	0.895	64%	0.636	S	S	*	*			trans	-64.9	81.7	179.8	51	0	0	0	0	110.8
99	V	44.4	Very low	52.7	Low	113 Å²	113	113.4 Å²	113.4	69%	0.685	64%	0.638	S	S	*	*			trans	-121	117.1	155.9	-177.9	0	0	0	0	105.2	S97 V101	S97-V99 VanDerWaalsContact C-N 3.28Å; S97-V99 PolarHBondContact O-N 2.82Å; V99-V101 VanDerWaalsContact C-N 3.33Å; V99-V101 PolarHBondContact O-N 2.91Å
100	S	36.1	Very low	54.5	Low	82 Å²	82	112.2 Å²	112.2	57%	0.573	63%	0.629	S	S	*	*			trans	-53.8	96.3	175.2	-176.4	0	0	0	0	109.4	H102	S100-H102 PolarHBondContact O-N 3.4Å; S100-H102 PolarHBondContact OG-CD2 3.2Å; S100-H102 PolarHBondContact OG-CE1 3.41Å; S100-H102 PolarHBondContact OG-NE2 2.91Å
101	V	46.6	Very low	56.7	Low	67 Å²	67	107.9 Å²	107.9	41%	0.406	61%	0.606	S	S	.	*			trans	-77.2	75.6	167.8	-174.8	0	0	0	0	105.4	H88 L90 V99 Q103	H88-V101 HydrophobicContact CB-CG1 3.69Å; L90-V101 HydrophobicContact CD2-CB 4.11Å; L90-V101 HydrophobicContact CD2-CG1 4.45Å; L90-V101 HydrophobicContact CG-CG1 4.48Å; V99-V101 VanDerWaalsContact C-N 3.33Å; V99-V101 PolarHBondContact O-N 2.91Å; V101-Q103 PolarHBondContact O-N 2.94Å; V101-Q103 VanDerWaalsContact O-N 3.13Å
102	H	41.5	Very low	59.3	Low	136 Å²	136	106.9 Å²	106.9	63%	0.63	59%	0.585	S	S	*	*			trans	-54.2	122.7	164	-71.7	-66.6	0	0	0	106.1	S100 T104	S100-H102 PolarHBondContact O-N 3.4Å; S100-H102 PolarHBondContact OG-CD2 3.2Å; S100-H102 PolarHBondContact OG-CE1 3.41Å; S100-H102 PolarHBondContact OG-NE2 2.91Å; H102-T104 HydrophobicContact CB-CG2 3.91Å; H102-T104 WeakPolarHBondContact O-CG2 3.23Å; H102-T104 PolarHBondContact O-N 2.76Å
103	Q	46.6	Very low	62	Low	149 Å²	149	104.8 Å²	104.8	70%	0.696	57%	0.573	S	S	*	*			trans	-56.9	82.9	158.2	-178.4	170.6	7.1	0	0	106.3	L90 V101 H105	L90-Q103 HydrophobicContact CD1-CB 4.28Å; V101-Q103 PolarHBondContact O-N 2.94Å; V101-Q103 VanDerWaalsContact O-N 3.13Å; Q103-H105 PolarHBondContact O-N 2.85Å
104	T	54.3	Low	64.7	Low	96 Å²	96	97.9 Å²	97.9	59%	0.589	54%	0.541	S	S	*	.			trans	-75	87.3	-179	58	0	0	0	0	105.1	H102 L106	H102-T104 HydrophobicContact CB-CG2 3.91Å; H102-T104 WeakPolarHBondContact O-CG2 3.23Å; H102-T104 PolarHBondContact O-N 2.76Å; T104-L106 PolarHBondContact O-N 3.46Å
105	H	64.5	Low	67.7	Low	159 Å²	159	92.7 Å²	92.7	74%	0.736	51%	0.505	S	S	*	.			trans	-58.1	92.2	157.4	-174.6	-88.6	0	0	0	105.7	Q103 R107	Q103-H105 PolarHBondContact O-N 2.85Å; H105-R107 PolarHBondContact O-N 2.85Å
106	L	77.7	Confident	70.5	Confident	37 Å²	37	91.8 Å²	91.8	19%	0.194	49%	0.492	C	S	.	.			trans	-55.4	118.8	178.4	-74.6	169.2	0	0	0	106.5	F85 T104 V111	F85-L106 HydrophobicContact CB-CD1 3.55Å; F85-L106 HydrophobicContact CD1-CD1 3.24Å; F85-L106 HydrophobicContact CD2-CD1 4.11Å; F85-L106 HydrophobicContact CE1-CD1 3.91Å; F85-L106 HydrophobicContact CG-CD1 3.36Å; T104-L106 PolarHBondContact O-N 3.46Å; L106-V111 HydrophobicContact CB-CG2 4.07Å
107	R	85.6	Confident	73	Confident	148 Å²	148	88.6 Å²	88.6	56%	0.558	47%	0.472	S	S	*	.			trans	-72.9	138.5	-177.6	-54.2	175.7	-60.8	168.9	5.1	107.2	H105 V109 D110 V111	H105-R107 PolarHBondContact O-N 2.85Å; R107-V109 HydrophobicContact CB-CG1 3.77Å; R107-V109 PolarHBondContact O-N 3.25Å; R107-D110 WeakPolarHBondContact CB-OD2 3.41Å; R107-D110 IonicContact CZ-OD1 3.68Å; R107-D110 IonicContact CZ-OD2 3.74Å; R107-D110 IonicContact NE-OD1 3.14Å; R107-D110 IonicContact NE-OD2 3.84Å; R107-D110 PolarHBondContact NE-OD2 3.03Å; R107-D110 IonicContact NH2-OD1 3.01Å; R107-D110 PolarHBondContact NH2-OD1 3.08Å; R107-D110 IonicContact NH2-OD2 2.85Å; R107-D110 PolarHBondContact NH2-OD2 2.68Å; R107-D110 WeakPolarHBondContact O-CB 3.37Å; R107-D110 PolarHBondContact O-N 3.37Å; R107-V111 PolarHBondContact O-N 3.01Å
108	D	91.2	Very high	75.9	Confident	83 Å²	83	83.5 Å²	83.5	44%	0.444	44%	0.436	S	S	.	.	H	α-helix	trans	-54	-29.9	178.3	-85.3	-33.6	0	0	0	112.8	Y58 D110 V111 R112	Y58-D108 HydrophobicContact CE1-CB 4.33Å; Y58-D108 PolarHBondContact OH-OD1 2.84Å; D108-D110 VanDerWaalsContact C-N 3.33Å; D108-D110 PolarHBondContact O-N 2.91Å; D108-V111 PolarHBondContact O-N 3.34Å; D108-R112 WeakPolarHBondContact O-CB 3.35Å; D108-R112 PolarHBondContact O-N 3.27Å
109	V	92.9	Very high	78.8	Confident	90 Å²	90	78.9 Å²	78.9	55%	0.545	40%	0.4	S	S	.	.	H	α-helix	trans	-60.6	-40.5	174.4	63.9	0	0	0	0	112.6	R107 A113	R107-V109 HydrophobicContact CB-CG1 3.77Å; R107-V109 PolarHBondContact O-N 3.25Å; V109-A113 WeakPolarHBondContact O-CB 3.27Å; V109-A113 PolarHBondContact O-N 2.97Å
110	D	94.4	Very high	81.4	Confident	62 Å²	62	78.1 Å²	78.1	33%	0.332	40%	0.396	S	S	.	.	H	α-helix	trans	-72.9	-42.9	-178.2	-57	-41.7	0	0	0	109.9	R107 D108 A113 M114	R107-D110 WeakPolarHBondContact CB-OD2 3.41Å; R107-D110 IonicContact CZ-OD1 3.68Å; R107-D110 IonicContact CZ-OD2 3.74Å; R107-D110 IonicContact NE-OD1 3.14Å; R107-D110 IonicContact NE-OD2 3.84Å; R107-D110 PolarHBondContact NE-OD2 3.03Å; R107-D110 IonicContact NH2-OD1 3.01Å; R107-D110 PolarHBondContact NH2-OD1 3.08Å; R107-D110 IonicContact NH2-OD2 2.85Å; R107-D110 PolarHBondContact NH2-OD2 2.68Å; R107-D110 WeakPolarHBondContact O-CB 3.37Å; R107-D110 PolarHBondContact O-N 3.37Å; D108-D110 VanDerWaalsContact C-N 3.33Å; D108-D110 PolarHBondContact O-N 2.91Å; D110-A113 PolarHBondContact O-N 3.47Å; D110-M114 WeakPolarHBondContact O-CG 3.49Å; D110-M114 PolarHBondContact O-N 3.2Å
111	V	96.1	Very high	84.3	Confident	1 Å²	1	75 Å²	75	1%	0.006	38%	0.375	C	S	.	.	H	α-helix	trans	-64.8	-42.2	176.6	-178.3	0	0	0	0	111	Y58 Y71 F85 L106 R107 D108 A113 M114 F115	Y58-V111 HydrophobicContact CE2-CG1 4.05Å; Y71-V111 HydrophobicContact CD1-CG1 3.83Å; Y71-V111 HydrophobicContact CD2-CG1 4.4Å; Y71-V111 HydrophobicContact CE1-CG1 4.38Å; Y71-V111 HydrophobicContact CE1-CG2 4.32Å; Y71-V111 HydrophobicContact CG-CG1 3.84Å; F85-V111 HydrophobicContact CE2-CG1 4.02Å; F85-V111 HydrophobicContact CE2-CG2 4.24Å; F85-V111 HydrophobicContact CZ-CG1 4.28Å; F85-V111 HydrophobicContact CZ-CG2 4.22Å; L106-V111 HydrophobicContact CB-CG2 4.07Å; R107-V111 PolarHBondContact O-N 3.01Å; D108-V111 PolarHBondContact O-N 3.34Å; V111-A113 VanDerWaalsContact C-N 3.33Å; V111-A113 PolarHBondContact O-N 3.39Å; V111-M114 WeakPolarHBondContact O-CB 3.46Å; V111-M114 PolarHBondContact O-N 3.06Å; V111-F115 HydrophobicContact CG1-CD2 3.78Å; V111-F115 HydrophobicContact CG1-CE2 3.56Å; V111-F115 VanDerWaalsContact O-CD2 3.32Å; V111-F115 WeakPolarHBondContact O-CD2 3.37Å; V111-F115 PolarHBondContact O-N 3.02Å
112	R	96	Very high	86.8	Confident	91 Å²	91	72.3 Å²	72.3	34%	0.343	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-43.7	174.8	-174.8	-177.4	-62.8	-118.8	-2.7	111.4	E56 D108 M114 F115 Q116	E56-R112 IonicContact OE1-CZ 3.22Å; E56-R112 IonicContact OE1-NH1 2.86Å; E56-R112 PolarHBondContact OE1-NH1 2.92Å; E56-R112 IonicContact OE1-NH2 2.71Å; E56-R112 PolarHBondContact OE1-NH2 3.46Å; D108-R112 WeakPolarHBondContact O-CB 3.35Å; D108-R112 PolarHBondContact O-N 3.27Å; R112-M114 VanDerWaalsContact C-N 3.34Å; R112-M114 PolarHBondContact O-N 2.85Å; R112-F115 PolarHBondContact O-N 2.94Å; R112-Q116 VanDerWaalsContact O-CG 3.31Å; R112-Q116 WeakPolarHBondContact O-CG 3.44Å; R112-Q116 PolarHBondContact O-N 3.14Å
113	A	96.9	Very high	89.5	Confident	51 Å²	51	68.9 Å²	68.9	42%	0.421	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-39.9	176.6	0	0	0	0	0	112.1	V109 D110 V111 Q116 R117	V109-A113 WeakPolarHBondContact O-CB 3.27Å; V109-A113 PolarHBondContact O-N 2.97Å; D110-A113 PolarHBondContact O-N 3.47Å; V111-A113 VanDerWaalsContact C-N 3.33Å; V111-A113 PolarHBondContact O-N 3.39Å; A113-Q116 PolarHBondContact O-N 3.29Å; A113-R117 PolarHBondContact O-N 2.57Å
114	M	98	Very high	91.9	Very high	27 Å²	27	65 Å²	65	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-44	174.4	-68.7	179.8	67.1	0	0	112	A2 M83 F85 D110 V111 R112 R117 L118 L155	A2-M114 HydrophobicContact CB-CE 4.12Å; M83-M114 HydrophobicContact CE-CB 4.13Å; M83-M114 HydrophobicContact SD-CB 3.91Å; M83-M114 HydrophobicContact SD-CE 4.11Å; F85-M114 HydrophobicContact CE1-CE 3.82Å; F85-M114 HydrophobicContact CE1-SD 3.74Å; F85-M114 HydrophobicContact CZ-CE 3.94Å; F85-M114 HydrophobicContact CZ-SD 3.8Å; D110-M114 WeakPolarHBondContact O-CG 3.49Å; D110-M114 PolarHBondContact O-N 3.2Å; V111-M114 WeakPolarHBondContact O-CB 3.46Å; V111-M114 PolarHBondContact O-N 3.06Å; R112-M114 VanDerWaalsContact C-N 3.34Å; R112-M114 PolarHBondContact O-N 2.85Å; M114-R117 PolarHBondContact O-N 3.49Å; M114-L118 PolarHBondContact O-N 2.74Å; M114-L155 HydrophobicContact CB-CD2 4.1Å; M114-L155 HydrophobicContact CE-CB 3.91Å; M114-L155 HydrophobicContact CE-CD2 3.99Å; M114-L155 VanDerWaalsContact CE-O 3.3Å; M114-L155 WeakPolarHBondContact CE-O 3.15Å; M114-L155 HydrophobicContact CG-CD2 4.02Å
115	F	98.4	Very high	94	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-39.9	174.9	-82	-62.8	0	0	0	112.9	Y58 Y73 F81 M83 V111 R112 R117 L118 H119	Y58-F115 AromaticContact CD2-CD2 3.85Å; Y58-F115 HydrophobicContact CD2-CD2 3.85Å; Y58-F115 HydrophobicContact CD2-CE2 4.22Å; Y58-F115 AromaticContact CE2-CD2 3.75Å; Y58-F115 HydrophobicContact CE2-CD2 3.75Å; Y58-F115 AromaticContact CE2-CE2 3.86Å; Y58-F115 HydrophobicContact CE2-CE2 3.86Å; Y73-F115 HydrophobicContact CD2-CB 3.69Å; Y73-F115 HydrophobicContact CD2-CD1 4.43Å; Y73-F115 HydrophobicContact CD2-CG 4.01Å; Y73-F115 HydrophobicContact CE2-CB 4.23Å; Y73-F115 HydrophobicContact CG-CB 4.04Å; Y73-F115 AromaticContact CG-CD1 3.98Å; Y73-F115 HydrophobicContact CG-CD1 3.98Å; Y73-F115 HydrophobicContact CG-CG 4.04Å; F81-F115 HydrophobicContact CB-CD1 3.95Å; F81-F115 HydrophobicContact CB-CE1 3.79Å; M83-F115 HydrophobicContact CB-CE1 4.15Å; M83-F115 HydrophobicContact CB-CE2 4.44Å; M83-F115 HydrophobicContact CB-CZ 3.76Å; M83-F115 HydrophobicContact CE-CD1 4.2Å; M83-F115 HydrophobicContact CE-CE1 4.44Å; M83-F115 HydrophobicContact CG-CD1 4.27Å; M83-F115 HydrophobicContact CG-CE1 3.61Å; M83-F115 HydrophobicContact CG-CE2 4.48Å; M83-F115 HydrophobicContact CG-CZ 3.73Å; M83-F115 HydrophobicContact SD-CD1 4.28Å; M83-F115 HydrophobicContact SD-CE1 4.15Å; M83-F115 HydrophobicContact SD-CZ 4.27Å; V111-F115 HydrophobicContact CG1-CD2 3.78Å; V111-F115 HydrophobicContact CG1-CE2 3.56Å; V111-F115 VanDerWaalsContact O-CD2 3.32Å; V111-F115 WeakPolarHBondContact O-CD2 3.37Å; V111-F115 PolarHBondContact O-N 3.02Å; R112-F115 PolarHBondContact O-N 2.94Å; F115-R117 VanDerWaalsContact C-N 3.31Å; F115-R117 PolarHBondContact O-N 2.9Å; F115-L118 HydrophobicContact CD1-CD2 4.42Å; F115-L118 PolarHBondContact O-N 2.82Å; F115-H119 WeakPolarHBondContact O-CB 3.47Å; F115-H119 PolarHBondContact O-N 3.21Å
116	Q	97.9	Very high	95.6	Very high	104 Å²	104	55.1 Å²	55.1	49%	0.486	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-39.5	176.1	-74.6	172.4	-19.4	0	0	111.8	R112 A113 H119 T120	R112-Q116 VanDerWaalsContact O-CG 3.31Å; R112-Q116 WeakPolarHBondContact O-CG 3.44Å; R112-Q116 PolarHBondContact O-N 3.14Å; A113-Q116 PolarHBondContact O-N 3.29Å; Q116-H119 PolarHBondContact O-N 2.95Å; Q116-T120 WeakPolarHBondContact O-CB 3.37Å; Q116-T120 PolarHBondContact O-N 2.88Å; Q116-T120 PolarHBondContact O-OG1 2.89Å
117	R	98.3	Very high	96.5	Very high	129 Å²	129	57.9 Å²	57.9	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-45.7	173.9	-176.1	169.6	177.3	-176.2	2.9	111.7	A113 M114 F115 H119 T120 A121 S154	A113-R117 PolarHBondContact O-N 2.57Å; M114-R117 PolarHBondContact O-N 3.49Å; F115-R117 VanDerWaalsContact C-N 3.31Å; F115-R117 PolarHBondContact O-N 2.9Å; R117-H119 VanDerWaalsContact C-N 3.34Å; R117-H119 PolarHBondContact O-N 2.78Å; R117-T120 PolarHBondContact O-N 2.73Å; R117-A121 PolarHBondContact O-N 3.09Å; R117-S154 PolarHBondContact NH1-OG 3.04Å; R117-S154 PolarHBondContact NH2-OG 2.93Å
118	L	98.6	Very high	97	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-45.2	174.1	175.9	61.4	0	0	0	111.7	V5 F81 M83 M114 F115 T120 A121 Y122 F148 I152 L155	V5-L118 HydrophobicContact CG1-CD1 4.22Å; V5-L118 HydrophobicContact CG1-CD2 3.68Å; F81-L118 HydrophobicContact CB-CD2 3.74Å; F81-L118 HydrophobicContact CD1-CD2 4.27Å; F81-L118 HydrophobicContact CD2-CD2 3.9Å; F81-L118 HydrophobicContact CD2-CG 4.1Å; F81-L118 HydrophobicContact CE2-CG 4.36Å; F81-L118 HydrophobicContact CG-CD2 3.72Å; F81-L118 HydrophobicContact CG-CG 4.28Å; M83-L118 HydrophobicContact CE-CB 3.9Å; M83-L118 HydrophobicContact CE-CD2 3.67Å; M83-L118 HydrophobicContact CE-CG 4.39Å; M114-L118 PolarHBondContact O-N 2.74Å; F115-L118 HydrophobicContact CD1-CD2 4.42Å; F115-L118 PolarHBondContact O-N 2.82Å; L118-T120 PolarHBondContact O-N 3.2Å; L118-A121 PolarHBondContact O-N 3.47Å; L118-Y122 WeakPolarHBondContact O-CB 3.29Å; L118-Y122 PolarHBondContact O-N 3.37Å; L118-F148 HydrophobicContact CD1-CE2 3.86Å; L118-F148 HydrophobicContact CD1-CZ 3.79Å; L118-I152 HydrophobicContact CD1-CD1 3.76Å; L118-I152 HydrophobicContact CD1-CG1 3.78Å; L118-L155 HydrophobicContact CB-CD1 4.25Å
119	H	98.6	Very high	97.2	Very high	31 Å²	31	53.5 Å²	53.5	14%	0.144	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-44.4	178.5	-169.1	175.8	0	0	0	111.3	Y73 F81 F115 Q116 R117 A121 Y122 V123	Y73-H119 HydrophobicContact CE1-CB 4.34Å; Y73-H119 AromaticContact CE1-ND1 3.54Å; Y73-H119 AromaticContact CZ-ND1 3.56Å; Y73-H119 PolarHBondContact OH-ND1 2.59Å; F81-H119 HydrophobicContact CE2-CB 3.83Å; F115-H119 WeakPolarHBondContact O-CB 3.47Å; F115-H119 PolarHBondContact O-N 3.21Å; Q116-H119 PolarHBondContact O-N 2.95Å; R117-H119 VanDerWaalsContact C-N 3.34Å; R117-H119 PolarHBondContact O-N 2.78Å; H119-A121 VanDerWaalsContact C-N 3.31Å; H119-A121 PolarHBondContact O-N 3.27Å; H119-Y122 WeakPolarHBondContact O-CB 3.18Å; H119-Y122 PolarHBondContact O-N 2.87Å; H119-Y122 VanDerWaalsContact O-N 3.12Å; H119-V123 WeakPolarHBondContact O-CG2 3.39Å; H119-V123 PolarHBondContact O-N 2.89Å
120	T	98.5	Very high	97.4	Very high	98 Å²	98	56.8 Å²	56.8	60%	0.601	32%	0.315	S	S	*	.	H	α-helix	trans	-58.8	-43.9	176.3	-56.6	0	0	0	0	111.5	Q116 R117 L118 V123 A124	Q116-T120 WeakPolarHBondContact O-CB 3.37Å; Q116-T120 PolarHBondContact O-N 2.88Å; Q116-T120 PolarHBondContact O-OG1 2.89Å; R117-T120 PolarHBondContact O-N 2.73Å; L118-T120 PolarHBondContact O-N 3.2Å; T120-V123 PolarHBondContact O-N 2.9Å; T120-A124 PolarHBondContact O-N 2.88Å; T120-A124 VanDerWaalsContact O-N 3.08Å
121	A	98.5	Very high	97.4	Very high	15 Å²	15	54.6 Å²	54.6	12%	0.124	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-39.5	175.4	0	0	0	0	0	112.3	R117 L118 H119 A124 L125 F148 C151	R117-A121 PolarHBondContact O-N 3.09Å; L118-A121 PolarHBondContact O-N 3.47Å; H119-A121 VanDerWaalsContact C-N 3.31Å; H119-A121 PolarHBondContact O-N 3.27Å; A121-A124 PolarHBondContact O-N 3.09Å; A121-L125 PolarHBondContact O-N 2.79Å; A121-F148 HydrophobicContact CB-CD2 3.84Å; A121-F148 HydrophobicContact CB-CE2 4.25Å; A121-C151 HydrophobicContact CB-CB 3.81Å
122	Y	98.4	Very high	97.4	Very high	11 Å²	11	62 Å²	62	4%	0.043	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-41.6	176.4	-173.2	-101	0	0	0	112	V7 I79 F81 L118 H119 A124 L125 V126 I137 F148	V7-Y122 HydrophobicContact CG1-CD2 4.39Å; V7-Y122 HydrophobicContact CG1-CE2 4.02Å; I79-Y122 HydrophobicContact CB-CE1 4.42Å; I79-Y122 HydrophobicContact CG1-CE1 4.04Å; I79-Y122 HydrophobicContact CG2-CE1 4.28Å; I79-Y122 HydrophobicContact CG2-CE2 4.43Å; F81-Y122 HydrophobicContact CE1-CD1 4.34Å; F81-Y122 HydrophobicContact CE1-CD2 4.18Å; F81-Y122 HydrophobicContact CE1-CG 4.04Å; F81-Y122 AromaticContact CZ-CD1 3.89Å; F81-Y122 HydrophobicContact CZ-CD1 3.89Å; F81-Y122 HydrophobicContact CZ-CD2 4.34Å; F81-Y122 AromaticContact CZ-CG 3.74Å; F81-Y122 HydrophobicContact CZ-CG 3.74Å; L118-Y122 WeakPolarHBondContact O-CB 3.29Å; L118-Y122 PolarHBondContact O-N 3.37Å; H119-Y122 WeakPolarHBondContact O-CB 3.18Å; H119-Y122 PolarHBondContact O-N 2.87Å; H119-Y122 VanDerWaalsContact O-N 3.12Å; Y122-A124 PolarHBondContact O-N 3.26Å; Y122-L125 HydrophobicContact CD2-CD2 4.48Å; Y122-L125 WeakPolarHBondContact O-CB 3.42Å; Y122-L125 PolarHBondContact O-N 3.1Å; Y122-L125 VanDerWaalsContact O-N 3.17Å; Y122-V126 HydrophobicContact CD1-CG1 4.12Å; Y122-V126 HydrophobicContact CE1-CG1 3.61Å; Y122-V126 HydrophobicContact CE2-CG1 4.23Å; Y122-V126 WeakPolarHBondContact O-CG2 3.3Å; Y122-V126 PolarHBondContact O-N 3.34Å; Y122-I137 HydrophobicContact CD2-CD1 4.38Å; Y122-I137 HydrophobicContact CE2-CD1 4.14Å; Y122-F148 HydrophobicContact CD2-CE2 4.09Å; Y122-F148 HydrophobicContact CD2-CZ 4.28Å
123	V	98.1	Very high	97.2	Very high	65 Å²	65	61.9 Å²	61.9	39%	0.394	35%	0.347	S	S	.	.	H	α-helix	trans	-58.9	-47.7	174	171.6	0	0	0	0	110.4	H119 T120 L125 V126 C127	H119-V123 WeakPolarHBondContact O-CG2 3.39Å; H119-V123 PolarHBondContact O-N 2.89Å; T120-V123 PolarHBondContact O-N 2.9Å; V123-L125 VanDerWaalsContact C-N 3.25Å; V123-L125 PolarHBondContact O-N 3.44Å; V123-V126 VanDerWaalsContact O-CG2 3.3Å; V123-V126 WeakPolarHBondContact O-CG2 3.49Å; V123-V126 PolarHBondContact O-N 3.47Å; V123-C127 WeakPolarHBondContact O-CB 3.48Å; V123-C127 PolarHBondContact O-N 2.84Å; V123-C127 PolarHBondContact O-SG 3.1Å
124	A	98	Very high	97	Very high	67 Å²	67	61.7 Å²	61.7	55%	0.554	35%	0.35	S	S	*	.	H	α-helix	trans	-60.6	-35	177	0	0	0	0	0	112.8	T120 A121 Y122	T120-A124 PolarHBondContact O-N 2.88Å; T120-A124 VanDerWaalsContact O-N 3.08Å; A121-A124 PolarHBondContact O-N 3.09Å; Y122-A124 PolarHBondContact O-N 3.26Å
125	L	98.2	Very high	96.9	Very high	2 Å²	2	63 Å²	63	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-52.3	174	174.9	64.7	0	0	0	111.7	A121 Y122 V123 C127 S128 Y131 I137 A144 F148	A121-L125 PolarHBondContact O-N 2.79Å; Y122-L125 HydrophobicContact CD2-CD2 4.48Å; Y122-L125 WeakPolarHBondContact O-CB 3.42Å; Y122-L125 PolarHBondContact O-N 3.1Å; Y122-L125 VanDerWaalsContact O-N 3.17Å; V123-L125 VanDerWaalsContact C-N 3.25Å; V123-L125 PolarHBondContact O-N 3.44Å; L125-C127 VanDerWaalsContact C-N 3.3Å; L125-C127 PolarHBondContact O-N 3.17Å; L125-S128 WeakPolarHBondContact O-CB 3.31Å; L125-S128 PolarHBondContact O-N 2.76Å; L125-S128 VanDerWaalsContact O-N 3.07Å; L125-Y131 HydrophobicContact CD1-CD1 4.5Å; L125-Y131 HydrophobicContact CD1-CD2 3.61Å; L125-Y131 HydrophobicContact CD1-CE2 4.04Å; L125-Y131 HydrophobicContact CD1-CG 3.86Å; L125-Y131 HydrophobicContact CD2-CD2 4.32Å; L125-Y131 HydrophobicContact CD2-CE1 4.35Å; L125-Y131 HydrophobicContact CD2-CE2 3.91Å; L125-Y131 HydrophobicContact CG-CD1 4.09Å; L125-Y131 HydrophobicContact CG-CD2 3.92Å; L125-Y131 HydrophobicContact CG-CE1 4.15Å; L125-Y131 HydrophobicContact CG-CE2 4Å; L125-Y131 HydrophobicContact CG-CG 3.95Å; L125-Y131 WeakPolarHBondContact O-CB 3.38Å; L125-I137 HydrophobicContact CD2-CB 4.42Å; L125-I137 HydrophobicContact CD2-CD1 3.56Å; L125-I137 HydrophobicContact CD2-CG1 3.81Å; L125-I137 HydrophobicContact CD2-CG2 3.73Å; L125-A144 HydrophobicContact CD1-CB 3.95Å; L125-F148 HydrophobicContact CB-CB 4.45Å; L125-F148 HydrophobicContact CB-CD2 4.37Å; L125-F148 HydrophobicContact CD2-CB 4.3Å; L125-F148 HydrophobicContact CD2-CD1 4.27Å; L125-F148 HydrophobicContact CD2-CD2 4.21Å; L125-F148 HydrophobicContact CD2-CG 4Å
126	V	97.2	Very high	96.8	Very high	46 Å²	46	66.9 Å²	66.9	28%	0.279	39%	0.385	S	S	.	.	H	α-helix	trans	-70.1	-25.8	-177.1	-59.5	0	0	0	0	113.3	Y122 V123 S128 Y131	Y122-V126 HydrophobicContact CD1-CG1 4.12Å; Y122-V126 HydrophobicContact CE1-CG1 3.61Å; Y122-V126 HydrophobicContact CE2-CG1 4.23Å; Y122-V126 WeakPolarHBondContact O-CG2 3.3Å; Y122-V126 PolarHBondContact O-N 3.34Å; V123-V126 VanDerWaalsContact O-CG2 3.3Å; V123-V126 WeakPolarHBondContact O-CG2 3.49Å; V123-V126 PolarHBondContact O-N 3.47Å; V126-S128 PolarHBondContact O-N 2.81Å; V126-Y131 HydrophobicContact CB-CD1 4.47Å; V126-Y131 HydrophobicContact CG1-CD1 4.18Å; V126-Y131 HydrophobicContact CG1-CE1 3.86Å
127	C	96.2	Very high	96.8	Very high	95 Å²	95	62.3 Å²	62.3	64%	0.642	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.8	172.2	-69.3	0	0	0	0	113.2	V123 L125	V123-C127 WeakPolarHBondContact O-CB 3.48Å; V123-C127 PolarHBondContact O-N 2.84Å; V123-C127 PolarHBondContact O-SG 3.1Å; L125-C127 VanDerWaalsContact C-N 3.3Å; L125-C127 PolarHBondContact O-N 3.17Å
128	S	96.4	Very high	96.7	Very high	23 Å²	23	61.1 Å²	61.1	16%	0.161	36%	0.363	C	S	.	.	S	Bend	trans	-71.4	127.4	174.5	-177.3	0	0	0	0	110.5	L125 V126 F130 Y131	L125-S128 WeakPolarHBondContact O-CB 3.31Å; L125-S128 PolarHBondContact O-N 2.76Å; L125-S128 VanDerWaalsContact O-N 3.07Å; V126-S128 PolarHBondContact O-N 2.81Å; S128-F130 PolarHBondContact O-N 2.67Å; S128-Y131 PolarHBondContact O-N 3.17Å; S128-Y131 VanDerWaalsContact O-N 3.1Å
129	P	95.9	Very high	96.6	Very high	115 Å²	115	62.3 Å²	62.3	75%	0.747	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.5	-174.1	25.6	-35.1	0	0	0	114.4
130	F	95.7	Very high	96.5	Very high	160 Å²	160	68.3 Å²	68.3	70%	0.702	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-7.5	-178.9	-56.5	-68.7	0	0	0	113.7	S128 L142	S128-F130 PolarHBondContact O-N 2.67Å; F130-L142 HydrophobicContact CB-CD2 3.91Å
131	Y	96.5	Very high	96.3	Very high	16 Å²	16	70.8 Å²	70.8	6%	0.063	41%	0.407	C	S	.	.			trans	-85.3	129.8	176.4	179.5	-98.8	0	0	0	110.1	L125 V126 S128 T135 I137 L142	L125-Y131 HydrophobicContact CD1-CD1 4.5Å; L125-Y131 HydrophobicContact CD1-CD2 3.61Å; L125-Y131 HydrophobicContact CD1-CE2 4.04Å; L125-Y131 HydrophobicContact CD1-CG 3.86Å; L125-Y131 HydrophobicContact CD2-CD2 4.32Å; L125-Y131 HydrophobicContact CD2-CE1 4.35Å; L125-Y131 HydrophobicContact CD2-CE2 3.91Å; L125-Y131 HydrophobicContact CG-CD1 4.09Å; L125-Y131 HydrophobicContact CG-CD2 3.92Å; L125-Y131 HydrophobicContact CG-CE1 4.15Å; L125-Y131 HydrophobicContact CG-CE2 4Å; L125-Y131 HydrophobicContact CG-CG 3.95Å; L125-Y131 WeakPolarHBondContact O-CB 3.38Å; V126-Y131 HydrophobicContact CB-CD1 4.47Å; V126-Y131 HydrophobicContact CG1-CD1 4.18Å; V126-Y131 HydrophobicContact CG1-CE1 3.86Å; S128-Y131 PolarHBondContact O-N 3.17Å; S128-Y131 VanDerWaalsContact O-N 3.1Å; Y131-T135 PolarHBondContact OH-O 3.42Å; Y131-I137 HydrophobicContact CE2-CG1 4.01Å; Y131-I137 VanDerWaalsContact OH-CG1 3.27Å; Y131-I137 WeakPolarHBondContact OH-CG1 3.48Å; Y131-L142 HydrophobicContact CD2-CD1 4.29Å
132	K	94.6	Very high	96.2	Very high	157 Å²	157	72.6 Å²	72.6	68%	0.683	41%	0.414	S	S	*	.			trans	-98	114	176.6	-66.3	-176.5	-178.6	-178.5	0	109.6	T135	K132-T135 HydrophobicContact CB-CG2 3.71Å; K132-T135 WeakPolarHBondContact O-CB 3.26Å; K132-T135 PolarHBondContact O-N 3.09Å; K132-T135 PolarHBondContact O-OG1 2.82Å
133	S	92.4	Very high	96.1	Very high	88 Å²	88	76.1 Å²	76.1	62%	0.615	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	140.7	175.6	-60.5	0	0	0	0	111.8	T135	S133-T135 VanDerWaalsContact C-N 3.26Å; S133-T135 PolarHBondContact O-N 3.18Å
134	G	92.3	Very high	96.1	Very high	46 Å²	46	73.5 Å²	73.5	47%	0.474	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-2.9	-177	0	0	0	0	0	115.2	L15	L15-G134 WeakPolarHBondContact CD2-O 3.49Å
135	T	95.5	Very high	96.1	Very high	55 Å²	55	70.4 Å²	70.4	34%	0.337	40%	0.399	S	S	.	.	S	Bend	trans	-91.2	152.8	172.6	66.8	0	0	0	0	111.6	Y131 K132 S133 I137	Y131-T135 PolarHBondContact OH-O 3.42Å; K132-T135 HydrophobicContact CB-CG2 3.71Å; K132-T135 WeakPolarHBondContact O-CB 3.26Å; K132-T135 PolarHBondContact O-N 3.09Å; K132-T135 PolarHBondContact O-OG1 2.82Å; S133-T135 VanDerWaalsContact C-N 3.26Å; S133-T135 PolarHBondContact O-N 3.18Å; T135-I137 PolarHBondContact O-N 2.95Å
136	P	97.5	Very high	96.1	Very high	82 Å²	82	74.3 Å²	74.3	53%	0.532	42%	0.418	S	S	.	.			trans	-56.4	134.3	175.4	-26.2	35.3	0	0	0	112.3	L15 Q138	L15-P136 CarbonylContact O-C 3.59Å; L15-P136 WeakPolarHBondContact O-CA 3.16Å; P136-Q138 PolarHBondContact O-N 2.96Å
137	I	97.8	Very high	96.1	Very high	7 Å²	7	80.1 Å²	80.1	4%	0.036	44%	0.435	C	S	.	.			trans	-80.4	103.5	179.1	-52.6	171.3	0	0	0	107.9	L15 Y16 Y122 L125 Y131 T135 F148	L15-I137 HydrophobicContact CB-CD1 4.49Å; L15-I137 HydrophobicContact CB-CG1 4.43Å; L15-I137 PolarHBondContact O-N 3.48Å; Y16-I137 HydrophobicContact CD2-CB 4Å; Y16-I137 HydrophobicContact CD2-CG2 4.2Å; Y16-I137 HydrophobicContact CG-CB 4.42Å; Y122-I137 HydrophobicContact CD2-CD1 4.38Å; Y122-I137 HydrophobicContact CE2-CD1 4.14Å; L125-I137 HydrophobicContact CD2-CB 4.42Å; L125-I137 HydrophobicContact CD2-CD1 3.56Å; L125-I137 HydrophobicContact CD2-CG1 3.81Å; L125-I137 HydrophobicContact CD2-CG2 3.73Å; Y131-I137 HydrophobicContact CE2-CG1 4.01Å; Y131-I137 VanDerWaalsContact OH-CG1 3.27Å; Y131-I137 WeakPolarHBondContact OH-CG1 3.48Å; T135-I137 PolarHBondContact O-N 2.95Å; I137-F148 HydrophobicContact CD1-CD1 4.24Å; I137-F148 HydrophobicContact CD1-CE1 3.73Å; I137-F148 HydrophobicContact CD1-CZ 4.14Å; I137-F148 HydrophobicContact CG2-CD1 3.85Å; I137-F148 HydrophobicContact CG2-CE1 4.3Å
138	Q	96.2	Very high	96.2	Very high	104 Å²	104	75.8 Å²	75.8	49%	0.486	41%	0.405	S	S	.	.			trans	-104.2	111.3	179.1	-61.3	-176.5	-61.3	0	0	109.9	P136 D140 K141 S145	P136-Q138 PolarHBondContact O-N 2.96Å; Q138-D140 PolarHBondContact O-N 3.42Å; Q138-K141 HydrophobicContact CB-CB 4.2Å; Q138-K141 HydrophobicContact CB-CG 3.65Å; Q138-K141 PolarHBondContact O-N 2.94Å; Q138-S145 WeakPolarHBondContact O-CB 3.48Å
139	P	96.1	Very high	96.3	Very high	26 Å²	26	75.5 Å²	75.5	17%	0.169	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.4	-176.9	-25.7	35.4	0	0	0	113.5	Y16 K141 D149	Y16-P139 HydrophobicContact CE2-CG 4.26Å; P139-K141 VanDerWaalsContact C-N 3.29Å; P139-K141 PolarHBondContact O-N 3.41Å; P139-D149 HydrophobicContact CB-CB 3.83Å; P139-D149 HydrophobicContact CG-CB 3.73Å
140	D	96.5	Very high	96.4	Very high	156 Å²	156	75.1 Å²	75.1	83%	0.834	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-12	-174.9	-51.8	-42	0	0	0	114.2	Q138	Q138-D140 PolarHBondContact O-N 3.42Å
141	K	94.6	Very high	96.5	Very high	150 Å²	150	68.4 Å²	68.4	65%	0.652	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-32.1	-171.7	-63.5	-59.7	-174.2	-174.2	0	113.9	Q138 P139	Q138-K141 HydrophobicContact CB-CB 4.2Å; Q138-K141 HydrophobicContact CB-CG 3.65Å; Q138-K141 PolarHBondContact O-N 2.94Å; P139-K141 VanDerWaalsContact C-N 3.29Å; P139-K141 PolarHBondContact O-N 3.41Å
142	L	95.9	Very high	96.6	Very high	54 Å²	54	67.7 Å²	67.7	28%	0.283	36%	0.36	S	S	.	.			trans	-140.9	138.5	-172.9	-65.6	172.3	0	0	0	109.9	F130 Y131 A144 S145 H146	F130-L142 HydrophobicContact CB-CD2 3.91Å; Y131-L142 HydrophobicContact CD2-CD1 4.29Å; L142-A144 PolarHBondContact O-N 2.88Å; L142-S145 WeakPolarHBondContact O-CB 3.16Å; L142-S145 PolarHBondContact O-N 3.2Å; L142-H146 PolarHBondContact O-N 3.37Å
143	S	96.7	Very high	96.7	Very high	84 Å²	84	62.9 Å²	62.9	59%	0.587	35%	0.346	S	S	*	.	H	α-helix	trans	-59.8	-32.4	175.7	59.2	0	0	0	0	112.8	H146 R147	S143-H146 PolarHBondContact O-N 3.47Å; S143-R147 WeakPolarHBondContact O-CG 3.27Å; S143-R147 PolarHBondContact O-N 2.83Å
144	A	97.4	Very high	97	Very high	10 Å²	10	60.8 Å²	60.8	8%	0.083	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-44.8	173.2	0	0	0	0	0	112.1	L125 L142 H146 R147 F148	L125-A144 HydrophobicContact CD1-CB 3.95Å; L142-A144 PolarHBondContact O-N 2.88Å; A144-H146 VanDerWaalsContact C-N 3.32Å; A144-H146 PolarHBondContact O-N 3.49Å; A144-R147 PolarHBondContact O-N 2.9Å; A144-F148 PolarHBondContact O-N 3.09Å
145	S	97.9	Very high	97.2	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.014	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-38.4	175.4	-57	0	0	0	0	111.9	Q138 L142 F148 D149	Q138-S145 WeakPolarHBondContact O-CB 3.48Å; L142-S145 WeakPolarHBondContact O-CB 3.16Å; L142-S145 PolarHBondContact O-N 3.2Å; S145-F148 WeakPolarHBondContact O-CB 3.49Å; S145-F148 PolarHBondContact O-N 2.77Å; S145-D149 PolarHBondContact O-N 3.13Å
146	H	98.2	Very high	97.2	Very high	85 Å²	85	57.1 Å²	57.1	39%	0.394	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-44.8	174.2	-177.8	-94.5	0	0	0	112.4	L142 S143 A144 F148 D149 Q150	L142-H146 PolarHBondContact O-N 3.37Å; S143-H146 PolarHBondContact O-N 3.47Å; A144-H146 VanDerWaalsContact C-N 3.32Å; A144-H146 PolarHBondContact O-N 3.49Å; H146-F148 VanDerWaalsContact C-N 3.28Å; H146-F148 PolarHBondContact O-N 2.83Å; H146-D149 PolarHBondContact O-N 3.12Å; H146-Q150 VanDerWaalsContact CE1-CD 3.47Å; H146-Q150 PolarHBondContact CE1-NE2 2.82Å; H146-Q150 WeakPolarHBondContact O-CG 3.39Å; H146-Q150 PolarHBondContact O-N 2.99Å
147	R	98.2	Very high	97.1	Very high	168 Å²	168	54.8 Å²	54.8	63%	0.634	29%	0.286	S	S	*	.	H	α-helix	trans	-62.2	-37	175	-71.4	178.6	-168.6	132.8	0.1	112.2	S143 A144 Q150 C151	S143-R147 WeakPolarHBondContact O-CG 3.27Å; S143-R147 PolarHBondContact O-N 2.83Å; A144-R147 PolarHBondContact O-N 2.9Å; R147-Q150 PolarHBondContact O-N 2.9Å; R147-C151 PolarHBondContact O-N 2.76Å
148	F	98.5	Very high	96.9	Very high	3 Å²	3	60 Å²	60	1%	0.013	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-47.1	173.5	179.6	-98.3	0	0	0	111.5	V7 Y16 L118 A121 Y122 L125 I137 A144 S145 H146 Q150 C151 I152	V7-F148 HydrophobicContact CG2-CE1 4.49Å; V7-F148 HydrophobicContact CG2-CZ 3.98Å; Y16-F148 HydrophobicContact CD1-CE1 4.17Å; Y16-F148 HydrophobicContact CD2-CE1 4.38Å; Y16-F148 HydrophobicContact CE1-CE1 4.4Å; Y16-F148 HydrophobicContact CG-CE1 4.15Å; L118-F148 HydrophobicContact CD1-CE2 3.86Å; L118-F148 HydrophobicContact CD1-CZ 3.79Å; A121-F148 HydrophobicContact CB-CD2 3.84Å; A121-F148 HydrophobicContact CB-CE2 4.25Å; Y122-F148 HydrophobicContact CD2-CE2 4.09Å; Y122-F148 HydrophobicContact CD2-CZ 4.28Å; L125-F148 HydrophobicContact CB-CB 4.45Å; L125-F148 HydrophobicContact CB-CD2 4.37Å; L125-F148 HydrophobicContact CD2-CB 4.3Å; L125-F148 HydrophobicContact CD2-CD1 4.27Å; L125-F148 HydrophobicContact CD2-CD2 4.21Å; L125-F148 HydrophobicContact CD2-CG 4Å; I137-F148 HydrophobicContact CD1-CD1 4.24Å; I137-F148 HydrophobicContact CD1-CE1 3.73Å; I137-F148 HydrophobicContact CD1-CZ 4.14Å; I137-F148 HydrophobicContact CG2-CD1 3.85Å; I137-F148 HydrophobicContact CG2-CE1 4.3Å; A144-F148 PolarHBondContact O-N 3.09Å; S145-F148 WeakPolarHBondContact O-CB 3.49Å; S145-F148 PolarHBondContact O-N 2.77Å; H146-F148 VanDerWaalsContact C-N 3.28Å; H146-F148 PolarHBondContact O-N 2.83Å; F148-Q150 PolarHBondContact O-N 2.91Å; F148-C151 WeakPolarHBondContact O-CB 3.46Å; F148-C151 PolarHBondContact O-N 3.35Å; F148-C151 VanDerWaalsContact O-N 3.17Å; F148-I152 HydrophobicContact CD1-CD1 3.93Å; F148-I152 HydrophobicContact CE1-CD1 3.27Å; F148-I152 HydrophobicContact CE1-CG1 4.35Å; F148-I152 HydrophobicContact CE2-CD1 4.3Å; F148-I152 HydrophobicContact CZ-CD1 3.49Å; F148-I152 VanDerWaalsContact CZ-CD1 3.49Å; F148-I152 HydrophobicContact CZ-CG1 4.41Å; F148-I152 PolarHBondContact O-N 2.8Å; F148-I152 VanDerWaalsContact O-N 3.08Å
149	D	98.4	Very high	96.7	Very high	17 Å²	17	59.7 Å²	59.7	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-40.2	175.6	-172	79.6	0	0	0	112.7	Y16 R18 P139 S145 H146 C151 I152 S153	Y16-D149 PolarHBondContact OH-OD1 3.27Å; R18-D149 IonicContact NH1-OD1 3.21Å; R18-D149 PolarHBondContact NH1-OD1 3.12Å; R18-D149 IonicContact NH1-OD2 2.95Å; R18-D149 PolarHBondContact NH1-OD2 3.42Å; R18-D149 VanDerWaalsContact NH1-OD2 3.14Å; P139-D149 HydrophobicContact CB-CB 3.83Å; P139-D149 HydrophobicContact CG-CB 3.73Å; S145-D149 PolarHBondContact O-N 3.13Å; H146-D149 PolarHBondContact O-N 3.12Å; D149-C151 VanDerWaalsContact C-N 3.33Å; D149-C151 PolarHBondContact O-N 3.27Å; D149-I152 PolarHBondContact O-N 3.31Å; D149-S153 WeakPolarHBondContact O-CB 3.36Å; D149-S153 PolarHBondContact O-N 2.67Å; D149-S153 PolarHBondContact O-OG 3.48Å
150	Q	98.2	Very high	96.4	Very high	107 Å²	107	58.9 Å²	58.9	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-39.7	174	-73.3	-177.9	-35.2	0	0	112.3	H146 R147 F148 S153 S154	H146-Q150 VanDerWaalsContact CE1-CD 3.47Å; H146-Q150 PolarHBondContact CE1-NE2 2.82Å; H146-Q150 WeakPolarHBondContact O-CG 3.39Å; H146-Q150 PolarHBondContact O-N 2.99Å; R147-Q150 PolarHBondContact O-N 2.9Å; F148-Q150 PolarHBondContact O-N 2.91Å; Q150-S153 PolarHBondContact O-N 3.37Å; Q150-S154 PolarHBondContact O-N 2.6Å
151	C	98.1	Very high	96	Very high	20 Å²	20	53.4 Å²	53.4	14%	0.135	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-45.4	175	-176.1	0	0	0	0	111	A121 R147 F148 D149 S154	A121-C151 HydrophobicContact CB-CB 3.81Å; R147-C151 PolarHBondContact O-N 2.76Å; F148-C151 WeakPolarHBondContact O-CB 3.46Å; F148-C151 PolarHBondContact O-N 3.35Å; F148-C151 VanDerWaalsContact O-N 3.17Å; D149-C151 VanDerWaalsContact C-N 3.33Å; D149-C151 PolarHBondContact O-N 3.27Å; C151-S154 PolarHBondContact O-N 3.44Å; C151-S154 PolarHBondContact O-OG 2.89Å
152	I	98.1	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-39.7	178.2	-68.6	179.7	0	0	0	111.5	V5 Y16 R18 L118 F148 D149 S154 L155 L156	V5-I152 HydrophobicContact CB-CG2 3.93Å; V5-I152 HydrophobicContact CG1-CD1 4.19Å; V5-I152 HydrophobicContact CG1-CG1 4.5Å; V5-I152 HydrophobicContact CG1-CG2 4.38Å; V5-I152 HydrophobicContact CG2-CG2 4.07Å; Y16-I152 HydrophobicContact CD1-CD1 3.76Å; Y16-I152 HydrophobicContact CE1-CB 4.49Å; Y16-I152 HydrophobicContact CE1-CD1 3.21Å; Y16-I152 HydrophobicContact CE1-CG1 4.41Å; Y16-I152 HydrophobicContact CE1-CG2 4.13Å; R18-I152 HydrophobicContact CB-CG2 4.13Å; R18-I152 HydrophobicContact CG-CG2 4.38Å; L118-I152 HydrophobicContact CD1-CD1 3.76Å; L118-I152 HydrophobicContact CD1-CG1 3.78Å; F148-I152 HydrophobicContact CD1-CD1 3.93Å; F148-I152 HydrophobicContact CE1-CD1 3.27Å; F148-I152 HydrophobicContact CE1-CG1 4.35Å; F148-I152 HydrophobicContact CE2-CD1 4.3Å; F148-I152 HydrophobicContact CZ-CD1 3.49Å; F148-I152 VanDerWaalsContact CZ-CD1 3.49Å; F148-I152 HydrophobicContact CZ-CG1 4.41Å; F148-I152 PolarHBondContact O-N 2.8Å; F148-I152 VanDerWaalsContact O-N 3.08Å; D149-I152 PolarHBondContact O-N 3.31Å; I152-S154 PolarHBondContact O-N 3.11Å; I152-S154 VanDerWaalsContact O-N 3.14Å; I152-L155 WeakPolarHBondContact O-CA 3.24Å; I152-L155 WeakPolarHBondContact O-CB 3.46Å; I152-L155 PolarHBondContact O-N 3.2Å; I152-L156 HydrophobicContact CG2-CD1 3.87Å; I152-L156 HydrophobicContact CG2-CG 4.14Å; I152-L156 PolarHBondContact O-N 3Å; I152-L156 VanDerWaalsContact O-N 3.16Å
153	S	97.3	Very high	93.6	Very high	56 Å²	56	45 Å²	45	39%	0.392	26%	0.256	S	S	.	.	H	α-helix	trans	-55.1	-33.8	176.1	-61.6	0	0	0	0	112.3	D149 Q150 L155	D149-S153 WeakPolarHBondContact O-CB 3.36Å; D149-S153 PolarHBondContact O-N 2.67Å; D149-S153 PolarHBondContact O-OG 3.48Å; Q150-S153 PolarHBondContact O-N 3.37Å; S153-L155 VanDerWaalsContact C-N 3.33Å; S153-L155 PolarHBondContact O-N 3.27Å
154	S	97	Very high	91.9	Very high	44 Å²	44	50.7 Å²	50.7	31%	0.308	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.9	175.2	76.4	0	0	0	0	115.4	R117 Q150 C151 I152	R117-S154 PolarHBondContact NH1-OG 3.04Å; R117-S154 PolarHBondContact NH2-OG 2.93Å; Q150-S154 PolarHBondContact O-N 2.6Å; C151-S154 PolarHBondContact O-N 3.44Å; C151-S154 PolarHBondContact O-OG 2.89Å; I152-S154 PolarHBondContact O-N 3.11Å; I152-S154 VanDerWaalsContact O-N 3.14Å
155	L	96.8	Very high	89.9	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.031	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-20.8	177.9	-63.2	172.1	0	0	0	111.9	A2 M83 M114 L118 I152 S153	A2-L155 PolarHBondContact N-O 2.93Å; M83-L155 HydrophobicContact CE-CD1 3.89Å; M114-L155 HydrophobicContact CB-CD2 4.1Å; M114-L155 HydrophobicContact CE-CB 3.91Å; M114-L155 HydrophobicContact CE-CD2 3.99Å; M114-L155 VanDerWaalsContact CE-O 3.3Å; M114-L155 WeakPolarHBondContact CE-O 3.15Å; M114-L155 HydrophobicContact CG-CD2 4.02Å; L118-L155 HydrophobicContact CB-CD1 4.25Å; I152-L155 WeakPolarHBondContact O-CA 3.24Å; I152-L155 WeakPolarHBondContact O-CB 3.46Å; I152-L155 PolarHBondContact O-N 3.2Å; S153-L155 VanDerWaalsContact C-N 3.33Å; S153-L155 PolarHBondContact O-N 3.27Å
156	L	96.5	Very high	87.8	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.099	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-82.2	150.2	-177.5	-71	171.4	0	0	0	112.2	A2 V5 R18 I152	A2-L156 HydrophobicContact CB-CD2 4.31Å; A2-L156 CarbonylContact O-C 3.57Å; A2-L156 VanDerWaalsContact O-CA 3.27Å; A2-L156 WeakPolarHBondContact O-CA 3.47Å; A2-L156 WeakPolarHBondContact O-CD2 3.23Å; V5-L156 HydrophobicContact CG2-CD2 3.9Å; V5-L156 HydrophobicContact CG2-CG 4.44Å; R18-L156 HydrophobicContact CB-CD1 4.09Å; R18-L156 HydrophobicContact CG-CD1 3.41Å; R18-L156 VanDerWaalsContact CG-CD1 3.41Å; I152-L156 HydrophobicContact CG2-CD1 3.87Å; I152-L156 HydrophobicContact CG2-CG 4.14Å; I152-L156 PolarHBondContact O-N 3Å; I152-L156 VanDerWaalsContact O-N 3.16Å
157	A	94.5	Very high	85.8	Confident	32 Å²	32	55.9 Å²	55.9	26%	0.264	31%	0.307	S	S	.	.			trans	-70	163.6	165.1	0	0	0	0	0	109.9	M1 A2 A20 N159	M1-A157 HydrophobicContact CB-CB 3.97Å; A2-A157 PolarHBondContact O-N 3.22Å; A20-A157 HydrophobicContact CB-CB 4.35Å; A20-A157 WeakPolarHBondContact CB-O 3.27Å; A157-N159 WeakPolarHBondContact CB-O 3.16Å
158	T	93.5	Very high	83.8	Confident	117 Å²	117	51.4 Å²	51.4	72%	0.718	29%	0.292	S	S	*	.	S	Bend	trans	-69	-48	175.2	53.5	0	0	0	0	110.9	E21	E21-T158 VanDerWaalsContact CB-O 3.31Å; E21-T158 WeakPolarHBondContact CB-O 3.32Å; E21-T158 PolarHBondContact N-O 2.79Å
159	N	91.8	Very high	81.8	Confident	98 Å²	98	53.8 Å²	53.8	52%	0.524	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-125.9	155.8	178.4	-59.3	-69.7	0	0	0	109.7	E21 A157	E21-N159 CarbonylContact O-C 3.55Å; E21-N159 VanDerWaalsContact O-CA 3.26Å; E21-N159 WeakPolarHBondContact O-CA 3.28Å; A157-N159 WeakPolarHBondContact CB-O 3.16Å
160	A	91	Very high	79.8	Confident	9 Å²	9	58.1 Å²	58.1	7%	0.074	33%	0.33	C	S	.	.			trans	-143.1	147.6	168.3	0	0	0	0	0	111.5	A3 A20 E21 C22 Y28 E86	A3-A160 HydrophobicContact CB-CB 3.55Å; A20-A160 HydrophobicContact CB-CB 3.83Å; E21-A160 PolarHBondContact O-N 2.86Å; C22-A160 WeakPolarHBondContact CA-O 3.48Å; C22-A160 HydrophobicContact CB-CB 4.48Å; C22-A160 WeakPolarHBondContact CB-O 3.04Å; Y28-A160 WeakPolarHBondContact OH-CB 3Å; E86-A160 WeakPolarHBondContact OE2-CA 3.46Å
161	S	86.8	Confident	77.7	Confident	41 Å²	41	58.3 Å²	58.3	29%	0.287	33%	0.334	S	S	.	.			trans	-78.7	127	168.6	72.9	0	0	0	0	109.5	Y28 H68 E86 G163	Y28-S161 PolarHBondContact OH-O 2.76Å; H68-S161 PolarHBondContact NE2-O 2.84Å; H68-S161 VanDerWaalsContact NE2-O 3.11Å; E86-S161 VanDerWaalsContact OE1-CB 3.28Å; E86-S161 WeakPolarHBondContact OE1-CB 3.43Å; E86-S161 PolarHBondContact OE1-OG 3.25Å; E86-S161 PolarHBondContact OE2-N 2.94Å; E86-S161 PolarHBondContact OE2-OG 2.81Å; S161-G163 PolarHBondContact O-N 2.8Å
162	S	74.7	Confident	75.7	Confident	15 Å²	15	62.7 Å²	62.7	11%	0.105	36%	0.355	C	S	.	.			trans	-64.4	-7.9	174.1	54.3	0	0	0	0	112.8	P23 D24	P23-S162 WeakPolarHBondContact CG-OG 3.13Å; D24-S162 VanDerWaalsContact O-CB 3.23Å; D24-S162 WeakPolarHBondContact O-CB 3.39Å
163	G	66.6	Low	73.5	Confident	11 Å²	11	67.9 Å²	67.9	11%	0.113	38%	0.382	C	S	.	.			trans	65.5	161.6	-172.4	0	0	0	0	0	112	S161	S161-G163 PolarHBondContact O-N 2.8Å
164	Y	60.3	Low	71.3	Confident	205 Å²	205	73.2 Å²	73.2	80%	0.804	40%	0.401	S	S	*	.			trans	-92.9	120.1	164.5	-64.3	-86.3	0	0	0	107.3
165	C	55.4	Low	68.7	Low	23 Å²	23	82 Å²	82	16%	0.155	43%	0.428	C	S	.	.			trans	-102.8	97.4	162.3	-170.2	0	0	0	0	107.5	F27 T167 F168 T169	F27-C165 HydrophobicContact CD1-CB 4.01Å; F27-C165 HydrophobicContact CE1-CB 3.57Å; F27-C165 HydrophobicContact CZ-CB 4.39Å; C165-T167 PolarHBondContact O-N 3.33Å; C165-F168 HydrophobicContact CB-CD2 4.18Å; C165-F168 PolarHBondContact O-N 3.11Å; C165-T169 PolarHBondContact O-N 2.92Å; C165-T169 PolarHBondContact O-OG1 3.44Å; C165-T169 VanDerWaalsContact O-OG1 3.11Å
166	S	53.9	Low	66	Low	84 Å²	84	89.6 Å²	89.6	59%	0.587	46%	0.46	S	S	*	.	H	α-helix	trans	-50.7	-34.1	-179	20	0	0	0	0	112.7	F168 N170	S166-F168 PolarHBondContact O-N 2.89Å; S166-N170 WeakPolarHBondContact O-CB 3.46Å; S166-N170 PolarHBondContact O-N 3.07Å; S166-N170 PolarHBondContact O-ND2 3.31Å; S166-N170 VanDerWaalsContact O-ND2 3.16Å
167	T	55.8	Low	63	Low	99 Å²	99	93.8 Å²	93.8	61%	0.607	49%	0.487	S	S	*	.	H	α-helix	trans	-61.2	-39.7	175.7	-46.6	0	0	0	0	113.3	C165	C165-T167 PolarHBondContact O-N 3.33Å
168	F	57.9	Low	60.2	Low	74 Å²	74	98.2 Å²	98.2	33%	0.325	51%	0.513	S	S	.	.	H	α-helix	trans	-96.1	-32	-177.2	-71.9	-75.8	0	0	0	113.2	F27 C165 S166 N170 L171 I172	F27-F168 HydrophobicContact CE1-CB 3.85Å; F27-F168 HydrophobicContact CE1-CD2 4.46Å; F27-F168 HydrophobicContact CE1-CG 4.47Å; F27-F168 HydrophobicContact CZ-CB 4.33Å; C165-F168 HydrophobicContact CB-CD2 4.18Å; C165-F168 PolarHBondContact O-N 3.11Å; S166-F168 PolarHBondContact O-N 2.89Å; F168-N170 PolarHBondContact O-N 3.39Å; F168-L171 HydrophobicContact CD1-CD1 4.03Å; F168-L171 HydrophobicContact CE1-CD1 4.5Å; F168-L171 WeakPolarHBondContact O-CB 3.48Å; F168-L171 PolarHBondContact O-N 3.03Å; F168-I172 WeakPolarHBondContact O-CG1 3.44Å; F168-I172 PolarHBondContact O-N 3.04Å; F168-I172 VanDerWaalsContact O-N 3.07Å
169	T	56.2	Low	57.4	Low	52 Å²	52	97.9 Å²	97.9	32%	0.319	51%	0.511	S	S	.	.	H	α-helix	trans	-56.9	-41.4	173.2	-54.2	0	0	0	0	110.1	C165 L171 I172 D173	C165-T169 PolarHBondContact O-N 2.92Å; C165-T169 PolarHBondContact O-OG1 3.44Å; C165-T169 VanDerWaalsContact O-OG1 3.11Å; T169-L171 VanDerWaalsContact C-N 3.32Å; T169-L171 PolarHBondContact O-N 3.16Å; T169-I172 PolarHBondContact O-N 3.35Å; T169-D173 PolarHBondContact O-N 3.07Å
170	N	55	Low	54.5	Low	109 Å²	109	96.6 Å²	96.6	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-64.5	-32.9	175.8	-67.5	-11.1	0	0	0	113.2	S166 F168	S166-N170 WeakPolarHBondContact O-CB 3.46Å; S166-N170 PolarHBondContact O-N 3.07Å; S166-N170 PolarHBondContact O-ND2 3.31Å; S166-N170 VanDerWaalsContact O-ND2 3.16Å; F168-N170 PolarHBondContact O-N 3.39Å
171	L	54.6	Low	51.8	Low	111 Å²	111	103 Å²	103	58%	0.581	55%	0.554	S	S	*	*	H	α-helix	trans	-73.1	-27.5	176.4	-76.5	163.2	0	0	0	112.9	F168 T169	F168-L171 HydrophobicContact CD1-CD1 4.03Å; F168-L171 HydrophobicContact CE1-CD1 4.5Å; F168-L171 WeakPolarHBondContact O-CB 3.48Å; F168-L171 PolarHBondContact O-N 3.03Å; T169-L171 VanDerWaalsContact C-N 3.32Å; T169-L171 PolarHBondContact O-N 3.16Å
172	I	56.1	Low	49.3	Very low	112 Å²	112	105.9 Å²	105.9	57%	0.574	57%	0.574	S	S	*	*	H	α-helix	trans	-81.3	-34.6	177	-63.3	168.5	0	0	0	110.5	F168 T169 E174 R175	F168-I172 WeakPolarHBondContact O-CG1 3.44Å; F168-I172 PolarHBondContact O-N 3.04Å; F168-I172 VanDerWaalsContact O-N 3.07Å; T169-I172 PolarHBondContact O-N 3.35Å; I172-E174 VanDerWaalsContact C-N 3.31Å; I172-E174 PolarHBondContact O-N 3.38Å; I172-R175 PolarHBondContact O-N 3.21Å
173	D	51.6	Low	47.3	Very low	108 Å²	108	112.8 Å²	112.8	58%	0.578	61%	0.608	S	S	*	*	H	α-helix	trans	-72.7	-19	-175.6	-143.2	3.3	0	0	0	113.6	T169 R175 K176	T169-D173 PolarHBondContact O-N 3.07Å; D173-R175 PolarHBondContact O-N 2.98Å; D173-K176 PolarHBondContact O-N 3.05Å
174	E	50.4	Low	45.6	Very low	168 Å²	168	118.4 Å²	118.4	79%	0.785	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-7	173.2	-80.2	-163.4	145.9	0	0	114.3	I172 K176	I172-E174 VanDerWaalsContact C-N 3.31Å; I172-E174 PolarHBondContact O-N 3.38Å; E174-K176 VanDerWaalsContact C-N 3.32Å
175	R	44.1	Very low	44.4	Very low	229 Å²	229	114.2 Å²	114.2	86%	0.864	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	0.5	168.2	-79.3	-165.1	-176.6	-174.5	3.5	114.6	I172 D173 T177	I172-R175 PolarHBondContact O-N 3.21Å; D173-R175 PolarHBondContact O-N 2.98Å; R175-T177 PolarHBondContact O-N 2.98Å
176	K	39.5	Very low	43.5	Very low	165 Å²	165	118.9 Å²	118.9	72%	0.717	66%	0.664	S	S	*	*	S	Bend	trans	-72.2	99.6	164.3	-158	174.9	-176.9	-176.9	0	108.2	D173 E174	D173-K176 PolarHBondContact O-N 3.05Å; E174-K176 VanDerWaalsContact C-N 3.32Å
177	T	33.3	Very low	42.7	Very low	108 Å²	108	122.8 Å²	122.8	66%	0.663	68%	0.678	S	S	*	*			trans	-42.3	132.4	173.8	-38.8	0	0	0	0	109.4	R175 T179	R175-T177 PolarHBondContact O-N 2.98Å; T177-T179 VanDerWaalsContact C-N 3.29Å; T177-T179 PolarHBondContact O-N 2.75Å
178	P	36.6	Very low	42	Very low	124 Å²	124	125.9 Å²	125.9	81%	0.805	69%	0.69	S	S	*	*			trans	-65.3	93.8	178.9	26.3	-32.5	0	0	0	108.4	G180	P178-G180 VanDerWaalsContact C-N 3.29Å; P178-G180 PolarHBondContact O-N 3.08Å
179	T	34.2	Very low	41.1	Very low	111 Å²	111	130.9 Å²	130.9	68%	0.681	72%	0.716	S	S	*	*			trans	-69.8	96.6	163.2	48.2	0	0	0	0	105.5	T177 D181	T177-T179 VanDerWaalsContact C-N 3.29Å; T177-T179 PolarHBondContact O-N 2.75Å; T179-D181 PolarHBondContact O-N 3.01Å; T179-D181 VanDerWaalsContact O-N 3.08Å
180	G	31.5	Very low	40.3	Very low	70 Å²	70	133.5 Å²	133.5	72%	0.722	74%	0.736	S	S	*	*			trans	-61.4	107.9	172.7	0	0	0	0	0	109.3	P178	P178-G180 VanDerWaalsContact C-N 3.29Å; P178-G180 PolarHBondContact O-N 3.08Å
181	D	33.5	Very low	39.8	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	75%	0.749	S	S	*	*			trans	-119.7	94.5	163.9	-83.5	-33.9	0	0	0	109.1	T179	T179-D181 PolarHBondContact O-N 3.01Å; T179-D181 VanDerWaalsContact O-N 3.08Å
182	S	33.3	Very low	39	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	77%	0.765	S	S	*	*			trans	45.3	103.6	134.1	-55.6	0	0	0	0	119.4	T184	S182-T184 PolarHBondContact O-N 3.27Å
183	I	33	Very low	38.3	Very low	159 Å²	159	142.3 Å²	142.3	82%	0.815	81%	0.807	S	S	*	*			trans	-23.9	114.4	146.3	-57.2	164.8	0	0	0	111.9
184	T	31.5	Very low	37.7	Very low	130 Å²	130	144 Å²	144	80%	0.798	82%	0.818	S	S	*	*			trans	-113.1	96.3	160.1	-60.1	0	0	0	0	108.1	S182 T186	S182-T184 PolarHBondContact O-N 3.27Å; T184-T186 PolarHBondContact O-N 3.31Å
185	T	35	Very low	37	Very low	116 Å²	116	142.7 Å²	142.7	71%	0.712	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.7	116.6	172.3	-58.4	0	0	0	0	109.4	N187	T185-N187 PolarHBondContact O-N 3.41Å
186	T	37.4	Very low	36.6	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-67.1	123	173.3	43.9	0	0	0	0	110.7	T184 I188	T184-T186 PolarHBondContact O-N 3.31Å; T186-I188 PolarHBondContact O-N 3.44Å
187	N	35.1	Very low	36.4	Very low	165 Å²	165	136.4 Å²	136.4	88%	0.882	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-49.6	125.4	176.2	-77.3	-32.6	0	0	0	113	T185	T185-N187 PolarHBondContact O-N 3.41Å
188	I	42.7	Very low	36.6	Very low	165 Å²	165	138.1 Å²	138.1	85%	0.846	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-83.6	117.7	165.5	-67.7	170.4	0	0	0	107.8	T186	T186-I188 PolarHBondContact O-N 3.44Å
189	M	38.2	Very low	36.6	Very low	178 Å²	178	139.1 Å²	139.1	88%	0.877	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-76.7	120.7	-177.3	-170.1	149.7	60.3	0	0	110.8
190	S	40	Very low	36.8	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-87.4	136.5	172.7	-53.6	0	0	0	0	111.4
191	P	43.4	Very low	37.2	Very low	130 Å²	130	146.5 Å²	146.5	84%	0.844	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-81.8	145.6	174.4	26.3	-22	0	0	0	112.6
192	K	38.2	Very low	37.5	Very low	211 Å²	211	146.8 Å²	146.8	92%	0.917	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-72.6	141.5	-175.2	-94.1	172.9	168.2	174.8	0	113.7
193	A	42.7	Very low	37.9	Very low	176 Å²	176	150.8 Å²	150.8	100%	1.455	88%	0.877	S	S	*	*			trans	46.5	0	147.1	0	0	0	0	0	119.2

Retrieved 193 of 193 residues in 58.6 ms (Link to these results)

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