G4VTS1_SCHMA Loading...

Sh3 domain-binding glutamic acid-rich-like protein

AlphaFold DB , UniProt , Accession G4VTS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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	80.2	Confident	91.8	Very high	168 Å²	168	48.4 Å²	48.4	83%	0.828	26%	0.263	S	S	*	.				0	75.3	0	-71.1	174.9	174.1	0	0	108.4	L69 D70	M1-L69 HydrophobicContact CB-CD1 4.15Å; M1-L69 HydrophobicContact CG-CD1 4.36Å; M1-D70 VanDerWaalsContact CA-CG 3.5Å; M1-D70 VanDerWaalsContact CA-OD1 3.26Å; M1-D70 WeakPolarHBondContact CA-OD1 3.5Å; M1-D70 WeakPolarHBondContact CA-OD2 3.48Å; M1-D70 PolarHBondContact N-OD1 3.48Å; M1-D70 PolarHBondContact N-OD2 3.07Å
2	V	90	Very high	91.7	Very high	67 Å²	67	51.7 Å²	51.7	41%	0.406	32%	0.317	S	S	.	.			trans	-112.1	120.9	164.5	178.8	0	0	0	0	106.2	K4 E35 D70	V2-K4 HydrophobicContact CG1-CG 4.45Å; V2-E35 HydrophobicContact CG1-CB 3.9Å; V2-D70 PolarHBondContact N-OD1 3.48Å; V2-D70 PolarHBondContact O-N 3.42Å
3	L	93.8	Very high	91.8	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.7	171.4	-167.4	74.9	0	0	0	108.4	L27 V32 F34 E35 I67 F68 L74 L93	L3-L27 HydrophobicContact CD2-CD1 4.17Å; L3-L27 HydrophobicContact CD2-CD2 3.9Å; L3-V32 HydrophobicContact CD2-CG1 3.98Å; L3-F34 HydrophobicContact CB-CB 4.08Å; L3-F34 HydrophobicContact CD2-CB 4.13Å; L3-F34 HydrophobicContact CG-CB 4.39Å; L3-F34 CarbonylContact O-C 3.58Å; L3-F34 VanDerWaalsContact O-CA 3.27Å; L3-F34 WeakPolarHBondContact O-CA 3.37Å; L3-E35 PolarHBondContact O-N 2.66Å; L3-I67 HydrophobicContact CD1-CG2 3.73Å; L3-I67 HydrophobicContact CD2-CG2 4.45Å; L3-I67 HydrophobicContact CG-CG2 4.15Å; L3-F68 CarbonylContact C-O 3.54Å; L3-F68 WeakPolarHBondContact CA-O 3.36Å; L3-L74 HydrophobicContact CD1-CD1 3.92Å; L3-L93 HydrophobicContact CD1-CD2 3.81Å; L3-L93 HydrophobicContact CD2-CD1 4.37Å; L3-L93 HydrophobicContact CD2-CD2 3.78Å; L3-L93 HydrophobicContact CG-CD2 4.46Å
4	K	94.4	Very high	91.9	Very high	19 Å²	19	58.2 Å²	58.2	8%	0.083	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.9	180	-72.2	165.3	-171.8	164.9	0	109.6	V2 Y6 E35 I67 F68 D70	V2-K4 HydrophobicContact CG1-CG 4.45Å; K4-Y6 HydrophobicContact CB-CE2 4.34Å; K4-E35 WeakPolarHBondContact CA-O 3.41Å; K4-E35 WeakPolarHBondContact CE-OE2 3.37Å; K4-E35 HydrophobicContact CG-CB 4.01Å; K4-E35 HydrophobicContact CG-CG 4.42Å; K4-E35 WeakPolarHBondContact CG-OE2 3.38Å; K4-I67 WeakPolarHBondContact O-CA 3.45Å; K4-F68 HydrophobicContact CB-CB 4.25Å; K4-F68 PolarHBondContact N-O 3.43Å; K4-F68 PolarHBondContact O-N 3.1Å; K4-D70 PolarHBondContact NZ-O 2.81Å
5	V	95.1	Very high	92	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	106.6	177.6	-172.4	0	0	0	0	107.9	I7 I23 L24 L27 F34 E35 V37	V5-I7 HydrophobicContact CG1-CG2 3.97Å; V5-I23 HydrophobicContact CG1-CG2 4.29Å; V5-L24 HydrophobicContact CB-CD2 4.42Å; V5-L24 HydrophobicContact CG1-CD2 4.08Å; V5-L27 HydrophobicContact CG2-CD1 3.54Å; V5-F34 HydrophobicContact CB-CD2 4.29Å; V5-F34 HydrophobicContact CG2-CB 4.22Å; V5-F34 HydrophobicContact CG2-CD2 3.81Å; V5-F34 HydrophobicContact CG2-CE2 4.47Å; V5-F34 HydrophobicContact CG2-CG 4.12Å; V5-E35 PolarHBondContact N-O 2.67Å; V5-V37 PolarHBondContact O-N 3.07Å
6	Y	94.6	Very high	92.1	Very high	14 Å²	14	60.6 Å²	60.6	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.3	176.4	-66.5	-78.5	0	0	0	110.1	K4 V37 L39 R47 L51 P65 H66 F68	K4-Y6 HydrophobicContact CB-CE2 4.34Å; Y6-V37 WeakPolarHBondContact CA-O 3.37Å; Y6-V37 HydrophobicContact CD1-CB 3.62Å; Y6-V37 HydrophobicContact CD1-CG1 3.72Å; Y6-V37 HydrophobicContact CD1-CG2 4.39Å; Y6-V37 HydrophobicContact CE1-CB 3.84Å; Y6-V37 HydrophobicContact CE1-CG1 3.69Å; Y6-V37 HydrophobicContact CE1-CG2 4.22Å; Y6-L39 HydrophobicContact CD1-CD2 3.7Å; Y6-L39 HydrophobicContact CD1-CG 4.29Å; Y6-L39 HydrophobicContact CE1-CD2 4.38Å; Y6-L39 HydrophobicContact CG-CD2 4.47Å; Y6-R47 HydrophobicContact CE1-CB 4.17Å; Y6-L51 HydrophobicContact CD1-CD2 3.96Å; Y6-L51 HydrophobicContact CD2-CD1 4.15Å; Y6-L51 HydrophobicContact CD2-CD2 4.18Å; Y6-L51 HydrophobicContact CE1-CD2 4.48Å; Y6-L51 HydrophobicContact CE2-CD1 4.35Å; Y6-L51 HydrophobicContact CG-CD2 3.78Å; Y6-P65 WeakPolarHBondContact O-CA 3.26Å; Y6-H66 PolarHBondContact N-O 3.46Å; Y6-H66 PolarHBondContact O-N 3.09Å; Y6-F68 AromaticContact CD2-CD2 3.54Å; Y6-F68 HydrophobicContact CD2-CD2 3.54Å; Y6-F68 AromaticContact CD2-CE2 3.79Å; Y6-F68 HydrophobicContact CD2-CE2 3.79Å; Y6-F68 HydrophobicContact CD2-CG 4.36Å; Y6-F68 HydrophobicContact CE2-CB 4.23Å; Y6-F68 HydrophobicContact CE2-CD1 4.46Å; Y6-F68 AromaticContact CE2-CD2 3.41Å; Y6-F68 HydrophobicContact CE2-CD2 3.41Å; Y6-F68 VanDerWaalsContact CE2-CD2 3.41Å; Y6-F68 AromaticContact CE2-CE2 3.75Å; Y6-F68 HydrophobicContact CE2-CE2 3.75Å; Y6-F68 AromaticContact CE2-CG 3.81Å; Y6-F68 HydrophobicContact CE2-CG 3.81Å; Y6-F68 HydrophobicContact CE2-CZ 4.41Å
7	I	95	Very high	92.3	Very high	7 Å²	7	62.1 Å²	62.1	4%	0.036	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	-178.1	-177.1	69.3	159.7	0	0	0	111.6	V5 T9 Q20 L24 E36 V37 D38 L39	V5-I7 HydrophobicContact CG1-CG2 3.97Å; I7-T9 HydrophobicContact CD1-CG2 4.01Å; I7-Q20 HydrophobicContact CB-CG 4.25Å; I7-Q20 HydrophobicContact CG2-CB 4.46Å; I7-Q20 HydrophobicContact CG2-CG 4.21Å; I7-L24 HydrophobicContact CD1-CD1 4.47Å; I7-L24 HydrophobicContact CG2-CD1 4.33Å; I7-E36 HydrophobicContact CD1-CG 3.76Å; I7-E36 WeakPolarHBondContact CD1-OE1 3.15Å; I7-E36 HydrophobicContact CG1-CG 4.07Å; I7-V37 PolarHBondContact N-O 3.42Å; I7-D38 HydrophobicContact CG1-CB 4.2Å; I7-L39 WeakPolarHBondContact O-CB 3.44Å; I7-L39 WeakPolarHBondContact O-CG 3.35Å; I7-L39 PolarHBondContact O-N 3.33Å
8	S	93.6	Very high	92.4	Very high	25 Å²	25	65.8 Å²	65.8	18%	0.175	36%	0.358	C	S	.	.			trans	-148.4	97.6	171.3	-175.4	0	0	0	0	111.3	L10 S11 Q20 D38	S8-L10 VanDerWaalsContact C-N 3.26Å; S8-L10 PolarHBondContact O-N 2.65Å; S8-S11 WeakPolarHBondContact O-CB 3.38Å; S8-S11 PolarHBondContact O-N 2.65Å; S8-Q20 VanDerWaalsContact N-OE1 3.11Å; S8-Q20 PolarHBondContact O-OE1 3.05Å; S8-D38 VanDerWaalsContact CA-OD1 3.26Å; S8-D38 WeakPolarHBondContact CA-OD1 3.42Å
9	T	93.3	Very high	92.6	Very high	68 Å²	68	64.9 Å²	64.9	42%	0.417	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.7	-176.5	63.6	0	0	0	0	112	I7 S11 K17 D38 S40	I7-T9 HydrophobicContact CD1-CG2 4.01Å; T9-S11 VanDerWaalsContact C-N 3.26Å; T9-S11 PolarHBondContact O-N 3.35Å; T9-K17 WeakPolarHBondContact O-CE 3.48Å; T9-K17 PolarHBondContact O-NZ 3.07Å; T9-D38 WeakPolarHBondContact CB-OD2 3.25Å; T9-D38 HydrophobicContact CG2-CB 4.37Å; T9-D38 VanDerWaalsContact CG2-OD2 3.26Å; T9-D38 WeakPolarHBondContact CG2-OD2 3.39Å; T9-D38 PolarHBondContact N-OD1 3.06Å; T9-D38 VanDerWaalsContact N-OD1 3.09Å; T9-D38 PolarHBondContact OG1-OD2 2.88Å; T9-S40 PolarHBondContact OG1-OG 3.49Å; T9-S40 VanDerWaalsContact OG1-OG 3.07Å
10	L	91.1	Very high	92.7	Very high	138 Å²	138	62.2 Å²	62.2	72%	0.723	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	10.9	174.8	-59.8	179.2	0	0	0	114.4	S8 G12 S40	S8-L10 VanDerWaalsContact C-N 3.26Å; S8-L10 PolarHBondContact O-N 2.65Å; L10-G12 PolarHBondContact O-N 3Å; L10-S40 WeakPolarHBondContact CG-OG 3.22Å
11	S	88.5	Confident	92.9	Very high	20 Å²	20	61.9 Å²	61.9	14%	0.14	34%	0.342	C	S	.	.			trans	-56.9	129.6	176.1	179.5	0	0	0	0	112.3	S8 T9 N13 V16 K17	S8-S11 WeakPolarHBondContact O-CB 3.38Å; S8-S11 PolarHBondContact O-N 2.65Å; T9-S11 VanDerWaalsContact C-N 3.26Å; T9-S11 PolarHBondContact O-N 3.35Å; S11-N13 VanDerWaalsContact C-N 3.35Å; S11-N13 PolarHBondContact OG-N 3Å; S11-V16 VanDerWaalsContact OG-CG1 3.22Å; S11-V16 WeakPolarHBondContact OG-CG1 3.29Å; S11-K17 WeakPolarHBondContact O-CD 3.35Å; S11-K17 WeakPolarHBondContact O-CE 3.42Å; S11-K17 PolarHBondContact O-NZ 3.35Å
12	G	90.5	Very high	93.6	Very high	88 Å²	88	57.2 Å²	57.2	91%	0.907	32%	0.32	S	S	*	.			trans	-81.5	-9.4	175.7	0	0	0	0	0	114.5	L10	L10-G12 PolarHBondContact O-N 3Å
13	N	93	Very high	93.8	Very high	76 Å²	76	54 Å²	54	41%	0.406	30%	0.301	S	S	.	.			trans	-96.3	122.7	-178.4	-178.1	-0.6	0	0	0	110.8	S11 K15 V16 K17	S11-N13 VanDerWaalsContact C-N 3.35Å; S11-N13 PolarHBondContact OG-N 3Å; N13-K15 VanDerWaalsContact C-N 3.33Å; N13-K15 PolarHBondContact O-N 3Å; N13-K15 WeakPolarHBondContact OD1-CB 3.49Å; N13-K15 PolarHBondContact OD1-N 3.49Å; N13-V16 HydrophobicContact CB-CB 4.05Å; N13-V16 HydrophobicContact CB-CG2 4.04Å; N13-K17 PolarHBondContact O-N 3.26Å
14	L	93.3	Very high	93.9	Very high	119 Å²	119	55 Å²	55	62%	0.623	31%	0.305	S	S	*	.	H	α-helix	trans	-67.7	-30.1	179.1	-176.6	61	0	0	0	113	K17 K18	L14-K17 PolarHBondContact O-N 2.97Å; L14-K18 WeakPolarHBondContact O-CG 3.2Å; L14-K18 PolarHBondContact O-N 2.81Å; L14-K18 VanDerWaalsContact O-N 3.1Å
15	K	93.9	Very high	94	Very high	150 Å²	150	57.9 Å²	57.9	65%	0.652	33%	0.328	S	S	*	.	H	α-helix	trans	-62.7	-56.8	176.5	-62	-167.3	172.8	-169.5	0	110.1	N13 K17 K18 E19	N13-K15 VanDerWaalsContact C-N 3.33Å; N13-K15 PolarHBondContact O-N 3Å; N13-K15 WeakPolarHBondContact OD1-CB 3.49Å; N13-K15 PolarHBondContact OD1-N 3.49Å; K15-K17 PolarHBondContact O-N 3.27Å; K15-K17 VanDerWaalsContact O-N 3.11Å; K15-K18 WeakPolarHBondContact O-CA 3.2Å; K15-K18 WeakPolarHBondContact O-CB 3.48Å; K15-K18 PolarHBondContact O-N 2.84Å; K15-E19 VanDerWaalsContact C-CD 3.43Å; K15-E19 WeakPolarHBondContact CB-OE1 3.48Å; K15-E19 WeakPolarHBondContact O-CG 3.34Å; K15-E19 PolarHBondContact O-N 2.63Å
16	V	93.8	Very high	93.9	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-47.4	-41	171.8	165	0	0	0	0	113.5	S11 N13 E19 Q20 V63 P64	S11-V16 VanDerWaalsContact OG-CG1 3.22Å; S11-V16 WeakPolarHBondContact OG-CG1 3.29Å; N13-V16 HydrophobicContact CB-CB 4.05Å; N13-V16 HydrophobicContact CB-CG2 4.04Å; V16-E19 WeakPolarHBondContact CA-OE2 3.23Å; V16-E19 PolarHBondContact N-OE1 2.78Å; V16-E19 PolarHBondContact O-N 3.27Å; V16-Q20 WeakPolarHBondContact O-CB 3.44Å; V16-Q20 VanDerWaalsContact O-CG 3.26Å; V16-Q20 WeakPolarHBondContact O-CG 3.39Å; V16-Q20 PolarHBondContact O-N 2.86Å; V16-V63 HydrophobicContact CG2-CG1 3.39Å; V16-P64 VanDerWaalsContact CG1-O 3.26Å; V16-P64 WeakPolarHBondContact CG1-O 3.41Å
17	K	94.7	Very high	93.9	Very high	86 Å²	86	58.8 Å²	58.8	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-70.6	-34.8	177.3	-83.1	179.9	156.5	162	0	113.7	T9 S11 N13 L14 K15 A21	T9-K17 WeakPolarHBondContact O-CE 3.48Å; T9-K17 PolarHBondContact O-NZ 3.07Å; S11-K17 WeakPolarHBondContact O-CD 3.35Å; S11-K17 WeakPolarHBondContact O-CE 3.42Å; S11-K17 PolarHBondContact O-NZ 3.35Å; N13-K17 PolarHBondContact O-N 3.26Å; L14-K17 PolarHBondContact O-N 2.97Å; K15-K17 PolarHBondContact O-N 3.27Å; K15-K17 VanDerWaalsContact O-N 3.11Å; K17-A21 VanDerWaalsContact O-CB 3.3Å; K17-A21 WeakPolarHBondContact O-CB 3.38Å; K17-A21 PolarHBondContact O-N 3.03Å
18	K	95	Very high	93.9	Very high	130 Å²	130	63.4 Å²	63.4	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-69.1	-43.6	171.1	-69.3	179.3	175.9	-170.6	0	111.3	L14 K15 A21 L22	L14-K18 WeakPolarHBondContact O-CG 3.2Å; L14-K18 PolarHBondContact O-N 2.81Å; L14-K18 VanDerWaalsContact O-N 3.1Å; K15-K18 WeakPolarHBondContact O-CA 3.2Å; K15-K18 WeakPolarHBondContact O-CB 3.48Å; K15-K18 PolarHBondContact O-N 2.84Å; K18-A21 PolarHBondContact O-N 3.41Å; K18-L22 WeakPolarHBondContact O-CB 3.37Å; K18-L22 PolarHBondContact O-N 3.35Å
19	E	95.5	Very high	93.9	Very high	48 Å²	48	65.7 Å²	65.7	22%	0.224	38%	0.379	C	S	.	.	H	α-helix	trans	-58.7	-50.9	178.4	-68.8	152.7	-148.1	0	0	111.2	K15 V16 A21 L22 I23 P65 Y77	K15-E19 VanDerWaalsContact C-CD 3.43Å; K15-E19 WeakPolarHBondContact CB-OE1 3.48Å; K15-E19 WeakPolarHBondContact O-CG 3.34Å; K15-E19 PolarHBondContact O-N 2.63Å; V16-E19 WeakPolarHBondContact CA-OE2 3.23Å; V16-E19 PolarHBondContact N-OE1 2.78Å; V16-E19 PolarHBondContact O-N 3.27Å; E19-A21 PolarHBondContact O-N 2.98Å; E19-L22 PolarHBondContact O-N 3.15Å; E19-I23 WeakPolarHBondContact O-CG1 3.49Å; E19-I23 PolarHBondContact O-N 3.24Å; E19-P65 HydrophobicContact CB-CG 4.22Å; E19-Y77 HydrophobicContact CB-CD2 3.45Å; E19-Y77 VanDerWaalsContact CB-CD2 3.45Å; E19-Y77 HydrophobicContact CB-CE2 3.91Å; E19-Y77 HydrophobicContact CB-CG 3.92Å; E19-Y77 HydrophobicContact CG-CD1 4.13Å; E19-Y77 HydrophobicContact CG-CD2 3.64Å; E19-Y77 HydrophobicContact CG-CE1 4.36Å; E19-Y77 HydrophobicContact CG-CE2 3.87Å; E19-Y77 HydrophobicContact CG-CG 3.77Å
20	Q	95.7	Very high	93.9	Very high	11 Å²	11	66.3 Å²	66.3	5%	0.051	38%	0.376	C	S	.	.	H	α-helix	trans	-58	-48.1	174.2	-72.3	170	23.2	0	0	111.9	I7 S8 V16 L22 I23 L24 P64 P65	I7-Q20 HydrophobicContact CB-CG 4.25Å; I7-Q20 HydrophobicContact CG2-CB 4.46Å; I7-Q20 HydrophobicContact CG2-CG 4.21Å; S8-Q20 VanDerWaalsContact N-OE1 3.11Å; S8-Q20 PolarHBondContact O-OE1 3.05Å; V16-Q20 WeakPolarHBondContact O-CB 3.44Å; V16-Q20 VanDerWaalsContact O-CG 3.26Å; V16-Q20 WeakPolarHBondContact O-CG 3.39Å; V16-Q20 PolarHBondContact O-N 2.86Å; Q20-L22 VanDerWaalsContact C-N 3.32Å; Q20-L22 PolarHBondContact O-N 3.43Å; Q20-I23 PolarHBondContact O-N 3.29Å; Q20-L24 VanDerWaalsContact O-CG 3.29Å; Q20-L24 WeakPolarHBondContact O-CG 3.42Å; Q20-L24 PolarHBondContact O-N 2.73Å; Q20-P64 PolarHBondContact NE2-O 3.41Å; Q20-P65 HydrophobicContact CG-CB 3.95Å; Q20-P65 HydrophobicContact CG-CG 4.26Å
21	A	95.1	Very high	93.9	Very high	55 Å²	55	68.6 Å²	68.6	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-35	-179.7	0	0	0	0	0	113.1	K17 K18 E19 S25	K17-A21 VanDerWaalsContact O-CB 3.3Å; K17-A21 WeakPolarHBondContact O-CB 3.38Å; K17-A21 PolarHBondContact O-N 3.03Å; K18-A21 PolarHBondContact O-N 3.41Å; E19-A21 PolarHBondContact O-N 2.98Å; A21-S25 WeakPolarHBondContact O-CB 3.42Å; A21-S25 PolarHBondContact O-N 3.01Å
22	L	95.5	Very high	94	Very high	71 Å²	71	68.5 Å²	68.5	37%	0.372	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-49.6	176.3	-166.9	86.7	0	0	0	111.2	K18 E19 Q20 S25 L26 Y77 Y81	K18-L22 WeakPolarHBondContact O-CB 3.37Å; K18-L22 PolarHBondContact O-N 3.35Å; E19-L22 PolarHBondContact O-N 3.15Å; Q20-L22 VanDerWaalsContact C-N 3.32Å; Q20-L22 PolarHBondContact O-N 3.43Å; L22-S25 PolarHBondContact O-N 2.91Å; L22-L26 WeakPolarHBondContact O-CB 3.4Å; L22-L26 PolarHBondContact O-N 3.04Å; L22-Y77 HydrophobicContact CB-CE2 4.4Å; L22-Y77 HydrophobicContact CD2-CE2 3.71Å; L22-Y77 WeakPolarHBondContact CD2-OH 3.43Å; L22-Y81 HydrophobicContact CD2-CD2 4.36Å
23	I	95.3	Very high	94.1	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-49.4	-179.3	-62.8	-176.7	0	0	0	110.6	V5 E19 Q20 S25 L26 L27 P65 I67 Y77 F80	V5-I23 HydrophobicContact CG1-CG2 4.29Å; E19-I23 WeakPolarHBondContact O-CG1 3.49Å; E19-I23 PolarHBondContact O-N 3.24Å; Q20-I23 PolarHBondContact O-N 3.29Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 2.76Å; I23-L26 PolarHBondContact O-N 3.24Å; I23-L27 HydrophobicContact CG2-CD1 3.79Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 WeakPolarHBondContact O-CG 3.43Å; I23-L27 PolarHBondContact O-N 2.88Å; I23-P65 HydrophobicContact CD1-CB 3.71Å; I23-P65 HydrophobicContact CD1-CG 3.4Å; I23-P65 HydrophobicContact CG1-CG 4.47Å; I23-I67 HydrophobicContact CD1-CD1 4.25Å; I23-I67 HydrophobicContact CG2-CD1 3.87Å; I23-I67 HydrophobicContact CG2-CG1 4.46Å; I23-Y77 HydrophobicContact CD1-CD2 4.12Å; I23-Y77 HydrophobicContact CG1-CD2 4.24Å; I23-F80 HydrophobicContact CB-CE1 4.17Å; I23-F80 HydrophobicContact CB-CZ 4.3Å; I23-F80 HydrophobicContact CD1-CB 4.43Å; I23-F80 HydrophobicContact CD1-CD1 4.11Å; I23-F80 HydrophobicContact CD1-CG 4.24Å; I23-F80 HydrophobicContact CG1-CD1 3.67Å; I23-F80 HydrophobicContact CG1-CE1 3.71Å; I23-F80 HydrophobicContact CG1-CG 4.23Å; I23-F80 HydrophobicContact CG1-CZ 4.28Å; I23-F80 HydrophobicContact CG2-CD2 4.42Å; I23-F80 HydrophobicContact CG2-CE1 4.23Å; I23-F80 HydrophobicContact CG2-CE2 4.02Å; I23-F80 HydrophobicContact CG2-CZ 3.92Å
24	L	95.5	Very high	94.2	Very high	25 Å²	25	70.1 Å²	70.1	13%	0.131	36%	0.364	C	S	.	.	H	α-helix	trans	-59.9	-42.9	177.3	-66.4	173.3	0	0	0	111.3	V5 I7 Q20 L26 N28 F34 E36	V5-L24 HydrophobicContact CB-CD2 4.42Å; V5-L24 HydrophobicContact CG1-CD2 4.08Å; I7-L24 HydrophobicContact CD1-CD1 4.47Å; I7-L24 HydrophobicContact CG2-CD1 4.33Å; Q20-L24 VanDerWaalsContact O-CG 3.29Å; Q20-L24 WeakPolarHBondContact O-CG 3.42Å; Q20-L24 PolarHBondContact O-N 2.73Å; L24-L26 PolarHBondContact O-N 2.87Å; L24-N28 WeakPolarHBondContact O-CB 3.3Å; L24-N28 PolarHBondContact O-N 3.36Å; L24-N28 VanDerWaalsContact O-N 3.15Å; L24-N28 PolarHBondContact O-ND2 3.02Å; L24-F34 HydrophobicContact CD2-CD2 4.41Å; L24-F34 HydrophobicContact CD2-CE2 3.43Å; L24-F34 VanDerWaalsContact CD2-CE2 3.43Å; L24-F34 HydrophobicContact CD2-CZ 3.74Å; L24-E36 HydrophobicContact CD2-CG 4.23Å; L24-E36 WeakPolarHBondContact CD2-OE2 3.14Å
25	S	95.5	Very high	94.3	Very high	81 Å²	81	67.8 Å²	67.8	57%	0.566	35%	0.35	S	S	*	.	H	α-helix	trans	-63.2	-40.7	177.2	-173.3	0	0	0	0	112.3	A21 L22 I23 A29	A21-S25 WeakPolarHBondContact O-CB 3.42Å; A21-S25 PolarHBondContact O-N 3.01Å; L22-S25 PolarHBondContact O-N 2.91Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 2.76Å; S25-A29 WeakPolarHBondContact O-CB 3.37Å; S25-A29 PolarHBondContact O-N 2.78Å
26	L	94.3	Very high	94.3	Very high	32 Å²	32	65.6 Å²	65.6	17%	0.168	34%	0.342	C	S	.	.	H	α-helix	trans	-76.4	-38.6	-176.4	-171.9	60.9	0	0	0	112.7	L22 I23 L24 A29 K30 F80 V84 L89	L22-L26 WeakPolarHBondContact O-CB 3.4Å; L22-L26 PolarHBondContact O-N 3.04Å; I23-L26 PolarHBondContact O-N 3.24Å; L24-L26 PolarHBondContact O-N 2.87Å; L26-A29 PolarHBondContact O-N 3.31Å; L26-K30 PolarHBondContact O-N 3.05Å; L26-F80 HydrophobicContact CB-CZ 4.27Å; L26-F80 HydrophobicContact CD2-CE1 3.86Å; L26-F80 HydrophobicContact CD2-CZ 3.92Å; L26-F80 HydrophobicContact CG-CZ 4.4Å; L26-V84 HydrophobicContact CD2-CB 4.32Å; L26-V84 HydrophobicContact CD2-CG1 3.92Å; L26-V84 HydrophobicContact CD2-CG2 3.36Å; L26-L89 HydrophobicContact CD2-CD2 4.26Å
27	L	94.2	Very high	94.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-42.5	173.5	-69.9	172.1	0	0	0	111.5	L3 V5 I23 K30 K31 V32 F34 F80 L93	L3-L27 HydrophobicContact CD2-CD1 4.17Å; L3-L27 HydrophobicContact CD2-CD2 3.9Å; V5-L27 HydrophobicContact CG2-CD1 3.54Å; I23-L27 HydrophobicContact CG2-CD1 3.79Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 WeakPolarHBondContact O-CG 3.43Å; I23-L27 PolarHBondContact O-N 2.88Å; L27-K30 PolarHBondContact O-N 3Å; L27-K31 PolarHBondContact O-N 2.95Å; L27-V32 HydrophobicContact CD2-CB 4.23Å; L27-V32 HydrophobicContact CD2-CG1 4.48Å; L27-V32 HydrophobicContact CD2-CG2 4.44Å; L27-V32 PolarHBondContact O-N 2.58Å; L27-V32 VanDerWaalsContact O-N 3.09Å; L27-F34 HydrophobicContact CB-CD1 3.67Å; L27-F34 HydrophobicContact CB-CE1 3.56Å; L27-F34 HydrophobicContact CB-CZ 4.46Å; L27-F34 HydrophobicContact CD1-CD1 4.04Å; L27-F34 HydrophobicContact CD1-CE1 4.34Å; L27-F34 HydrophobicContact CD1-CG 4.26Å; L27-F34 HydrophobicContact CG-CD1 4.45Å; L27-F80 HydrophobicContact CD2-CE2 4.12Å; L27-F80 HydrophobicContact CG-CE2 4.3Å; L27-F80 HydrophobicContact CG-CZ 4.41Å; L27-L93 HydrophobicContact CD2-CD1 3.63Å; L27-L93 HydrophobicContact CD2-CD2 4.42Å
28	N	95	Very high	94.2	Very high	105 Å²	105	62.9 Å²	62.9	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-61.6	-42.5	171.8	-83.6	-70.2	0	0	0	112.1	L24 K31	L24-N28 WeakPolarHBondContact O-CB 3.3Å; L24-N28 PolarHBondContact O-N 3.36Å; L24-N28 VanDerWaalsContact O-N 3.15Å; L24-N28 PolarHBondContact O-ND2 3.02Å; N28-K31 PolarHBondContact O-N 3.43Å; N28-K31 VanDerWaalsContact O-N 3.1Å
29	A	94.2	Very high	94	Very high	73 Å²	73	56.8 Å²	56.8	60%	0.603	31%	0.306	S	S	*	.	H	α-helix	trans	-64.5	-40	178	0	0	0	0	0	112.7	S25 L26 K31	S25-A29 WeakPolarHBondContact O-CB 3.37Å; S25-A29 PolarHBondContact O-N 2.78Å; L26-A29 PolarHBondContact O-N 3.31Å; A29-K31 PolarHBondContact O-N 2.87Å
30	K	91.3	Very high	93.7	Very high	81 Å²	81	55.9 Å²	55.9	35%	0.352	31%	0.305	S	S	.	.	H	α-helix	trans	-73.3	-9.3	172.2	-82.2	-126	172	-171.4	0	114.1	L26 L27 V32 L89 E90	L26-K30 PolarHBondContact O-N 3.05Å; L27-K30 PolarHBondContact O-N 3Å; K30-V32 VanDerWaalsContact C-N 3.3Å; K30-V32 HydrophobicContact CB-CG2 3.93Å; K30-V32 PolarHBondContact O-N 3.11Å; K30-L89 HydrophobicContact CD-CD2 4.11Å; K30-L89 HydrophobicContact CG-CD2 4.46Å; K30-E90 IonicContact NZ-OE1 2.74Å; K30-E90 PolarHBondContact NZ-OE1 2.87Å
31	K	91.9	Very high	93.5	Very high	186 Å²	186	58.9 Å²	58.9	81%	0.809	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	39	-175.4	-51.9	174.3	-175	170	0	113.4	L27 N28 A29	L27-K31 PolarHBondContact O-N 2.95Å; N28-K31 PolarHBondContact O-N 3.43Å; N28-K31 VanDerWaalsContact O-N 3.1Å; A29-K31 PolarHBondContact O-N 2.87Å
32	V	90.9	Very high	93.3	Very high	17 Å²	17	62 Å²	62	10%	0.103	33%	0.334	C	S	.	.			trans	-82.8	129	172.1	-177.6	0	0	0	0	108.5	L3 L27 K30 F34 L93 L95	L3-V32 HydrophobicContact CD2-CG1 3.98Å; L27-V32 HydrophobicContact CD2-CB 4.23Å; L27-V32 HydrophobicContact CD2-CG1 4.48Å; L27-V32 HydrophobicContact CD2-CG2 4.44Å; L27-V32 PolarHBondContact O-N 2.58Å; L27-V32 VanDerWaalsContact O-N 3.09Å; K30-V32 VanDerWaalsContact C-N 3.3Å; K30-V32 HydrophobicContact CB-CG2 3.93Å; K30-V32 PolarHBondContact O-N 3.11Å; V32-F34 WeakPolarHBondContact O-CD1 3.49Å; V32-F34 PolarHBondContact O-N 3.39Å; V32-L93 HydrophobicContact CG1-CD1 4.47Å; V32-L93 HydrophobicContact CG2-CD1 4.29Å; V32-L95 HydrophobicContact CG1-CD1 4.12Å; V32-L95 HydrophobicContact CG1-CD2 4.12Å; V32-L95 HydrophobicContact CG2-CD1 3.77Å
33	D	92.9	Very high	93	Very high	152 Å²	152	63.1 Å²	63.1	81%	0.813	35%	0.348	S	S	*	.			trans	-71.1	123.9	174	-68.5	-48.7	0	0	0	110.7
34	F	94	Very high	92.7	Very high	47 Å²	47	65.2 Å²	65.2	21%	0.206	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.1	178.2	69.6	-93.7	0	0	0	113.8	L3 V5 L24 L27 V32 E36	L3-F34 HydrophobicContact CB-CB 4.08Å; L3-F34 HydrophobicContact CD2-CB 4.13Å; L3-F34 HydrophobicContact CG-CB 4.39Å; L3-F34 CarbonylContact O-C 3.58Å; L3-F34 VanDerWaalsContact O-CA 3.27Å; L3-F34 WeakPolarHBondContact O-CA 3.37Å; V5-F34 HydrophobicContact CB-CD2 4.29Å; V5-F34 HydrophobicContact CG2-CB 4.22Å; V5-F34 HydrophobicContact CG2-CD2 3.81Å; V5-F34 HydrophobicContact CG2-CE2 4.47Å; V5-F34 HydrophobicContact CG2-CG 4.12Å; L24-F34 HydrophobicContact CD2-CD2 4.41Å; L24-F34 HydrophobicContact CD2-CE2 3.43Å; L24-F34 VanDerWaalsContact CD2-CE2 3.43Å; L24-F34 HydrophobicContact CD2-CZ 3.74Å; L27-F34 HydrophobicContact CB-CD1 3.67Å; L27-F34 HydrophobicContact CB-CE1 3.56Å; L27-F34 HydrophobicContact CB-CZ 4.46Å; L27-F34 HydrophobicContact CD1-CD1 4.04Å; L27-F34 HydrophobicContact CD1-CE1 4.34Å; L27-F34 HydrophobicContact CD1-CG 4.26Å; L27-F34 HydrophobicContact CG-CD1 4.45Å; V32-F34 WeakPolarHBondContact O-CD1 3.49Å; V32-F34 PolarHBondContact O-N 3.39Å; F34-E36 HydrophobicContact CD2-CB 4.49Å; F34-E36 HydrophobicContact CE2-CB 4.17Å
35	E	95.1	Very high	92.3	Very high	70 Å²	70	69.8 Å²	69.8	33%	0.327	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	111.9	172.4	-177.9	-172.7	166.9	0	0	108.7	V2 L3 K4 V5 V37	V2-E35 HydrophobicContact CG1-CB 3.9Å; L3-E35 PolarHBondContact O-N 2.66Å; K4-E35 WeakPolarHBondContact CA-O 3.41Å; K4-E35 WeakPolarHBondContact CE-OE2 3.37Å; K4-E35 HydrophobicContact CG-CB 4.01Å; K4-E35 HydrophobicContact CG-CG 4.42Å; K4-E35 WeakPolarHBondContact CG-OE2 3.38Å; V5-E35 PolarHBondContact N-O 2.67Å; E35-V37 HydrophobicContact CG-CG2 3.88Å
36	E	94.2	Very high	92	Very high	104 Å²	104	70.6 Å²	70.6	49%	0.486	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	121.3	172.8	-170.5	178	124.1	0	0	109.9	I7 L24 F34	I7-E36 HydrophobicContact CD1-CG 3.76Å; I7-E36 WeakPolarHBondContact CD1-OE1 3.15Å; I7-E36 HydrophobicContact CG1-CG 4.07Å; L24-E36 HydrophobicContact CD2-CG 4.23Å; L24-E36 WeakPolarHBondContact CD2-OE2 3.14Å; F34-E36 HydrophobicContact CD2-CB 4.49Å; F34-E36 HydrophobicContact CE2-CB 4.17Å
37	V	93.5	Very high	91.7	Very high	4 Å²	4	74 Å²	74	2%	0.024	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	100.9	-177.5	-173.3	0	0	0	0	110.2	V5 Y6 I7 E35 L39 N44	V5-V37 PolarHBondContact O-N 3.07Å; Y6-V37 WeakPolarHBondContact CA-O 3.37Å; Y6-V37 HydrophobicContact CD1-CB 3.62Å; Y6-V37 HydrophobicContact CD1-CG1 3.72Å; Y6-V37 HydrophobicContact CD1-CG2 4.39Å; Y6-V37 HydrophobicContact CE1-CB 3.84Å; Y6-V37 HydrophobicContact CE1-CG1 3.69Å; Y6-V37 HydrophobicContact CE1-CG2 4.22Å; I7-V37 PolarHBondContact N-O 3.42Å; E35-V37 HydrophobicContact CG-CG2 3.88Å; V37-L39 PolarHBondContact O-N 2.88Å; V37-N44 HydrophobicContact CG1-CB 4.36Å
38	D	94.4	Very high	91.3	Very high	28 Å²	28	77.2 Å²	77.2	15%	0.15	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	116.5	174.7	-173.3	12.1	0	0	0	111.4	I7 S8 T9 S40 N44	I7-D38 HydrophobicContact CG1-CB 4.2Å; S8-D38 VanDerWaalsContact CA-OD1 3.26Å; S8-D38 WeakPolarHBondContact CA-OD1 3.42Å; T9-D38 WeakPolarHBondContact CB-OD2 3.25Å; T9-D38 HydrophobicContact CG2-CB 4.37Å; T9-D38 VanDerWaalsContact CG2-OD2 3.26Å; T9-D38 WeakPolarHBondContact CG2-OD2 3.39Å; T9-D38 PolarHBondContact N-OD1 3.06Å; T9-D38 VanDerWaalsContact N-OD1 3.09Å; T9-D38 PolarHBondContact OG1-OD2 2.88Å; D38-S40 VanDerWaalsContact CG-OG 3.29Å; D38-S40 PolarHBondContact O-N 3.47Å; D38-S40 VanDerWaalsContact OD1-CB 3.24Å; D38-S40 WeakPolarHBondContact OD1-CB 3.47Å; D38-S40 PolarHBondContact OD1-N 3.1Å; D38-S40 PolarHBondContact OD1-OG 3.29Å; D38-S40 PolarHBondContact OD2-OG 2.88Å; D38-N44 WeakPolarHBondContact O-CB 3.12Å; D38-N44 PolarHBondContact O-ND2 3.18Å
39	L	90.7	Very high	90.9	Very high	3 Å²	3	75.7 Å²	75.7	2%	0.016	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.4	175.2	-58.7	172.3	0	0	0	113.3	Y6 I7 V37 K48 L51 P64	Y6-L39 HydrophobicContact CD1-CD2 3.7Å; Y6-L39 HydrophobicContact CD1-CG 4.29Å; Y6-L39 HydrophobicContact CE1-CD2 4.38Å; Y6-L39 HydrophobicContact CG-CD2 4.47Å; I7-L39 WeakPolarHBondContact O-CB 3.44Å; I7-L39 WeakPolarHBondContact O-CG 3.35Å; I7-L39 PolarHBondContact O-N 3.33Å; V37-L39 PolarHBondContact O-N 2.88Å; L39-K48 HydrophobicContact CB-CD 4.44Å; L39-K48 HydrophobicContact CB-CG 4.44Å; L39-K48 HydrophobicContact CD2-CB 3.82Å; L39-K48 HydrophobicContact CD2-CG 4.18Å; L39-K48 WeakPolarHBondContact O-CD 3.29Å; L39-K48 WeakPolarHBondContact O-CE 3.37Å; L39-K48 PolarHBondContact O-NZ 2.93Å; L39-L51 HydrophobicContact CD1-CD2 3.46Å; L39-L51 VanDerWaalsContact CD1-CD2 3.46Å; L39-L51 HydrophobicContact CD2-CD2 3.65Å; L39-L51 HydrophobicContact CG-CD2 4.15Å; L39-P64 HydrophobicContact CD1-CB 4.44Å; L39-P64 HydrophobicContact CD1-CG 3.57Å
40	S	89.5	Confident	90.6	Very high	29 Å²	29	75.3 Å²	75.3	20%	0.203	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-24.3	175.5	97.4	0	0	0	0	113.3	T9 L10 D38	T9-S40 PolarHBondContact OG1-OG 3.49Å; T9-S40 VanDerWaalsContact OG1-OG 3.07Å; L10-S40 WeakPolarHBondContact CG-OG 3.22Å; D38-S40 VanDerWaalsContact CG-OG 3.29Å; D38-S40 PolarHBondContact O-N 3.47Å; D38-S40 VanDerWaalsContact OD1-CB 3.24Å; D38-S40 WeakPolarHBondContact OD1-CB 3.47Å; D38-S40 PolarHBondContact OD1-N 3.1Å; D38-S40 PolarHBondContact OD1-OG 3.29Å; D38-S40 PolarHBondContact OD2-OG 2.88Å
41	D	91.1	Very high	90.4	Very high	74 Å²	74	71.6 Å²	71.6	40%	0.396	38%	0.384	S	S	.	.	S	Bend	trans	-70.7	133.1	172.1	-172.5	-6.9	0	0	0	110.8	S43 N44	D41-S43 VanDerWaalsContact CG-OG 3.32Å; D41-S43 PolarHBondContact O-N 3.36Å; D41-S43 WeakPolarHBondContact OD1-CB 3.26Å; D41-S43 PolarHBondContact OD1-N 3.32Å; D41-S43 PolarHBondContact OD1-OG 3.18Å; D41-S43 WeakPolarHBondContact OD2-CB 3.43Å; D41-S43 PolarHBondContact OD2-OG 3.2Å; D41-N44 PolarHBondContact O-N 3.39Å; D41-N44 VanDerWaalsContact O-N 3.15Å
42	V	89.5	Confident	90.2	Very high	121 Å²	121	66 Å²	66	73%	0.733	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-59.4	-33.5	174.4	-175.3	0	0	0	0	110.9	N44 E45	V42-N44 PolarHBondContact O-N 3.48Å; V42-N44 VanDerWaalsContact O-N 3.13Å; V42-E45 WeakPolarHBondContact O-CB 3.45Å; V42-E45 PolarHBondContact O-N 2.9Å; V42-E45 VanDerWaalsContact O-N 3.13Å
43	S	89.2	Confident	90.2	Very high	94 Å²	94	70.6 Å²	70.6	66%	0.657	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-56.9	-28	177.2	-46.8	0	0	0	0	113	D41	D41-S43 VanDerWaalsContact CG-OG 3.32Å; D41-S43 PolarHBondContact O-N 3.36Å; D41-S43 WeakPolarHBondContact OD1-CB 3.26Å; D41-S43 PolarHBondContact OD1-N 3.32Å; D41-S43 PolarHBondContact OD1-OG 3.18Å; D41-S43 WeakPolarHBondContact OD2-CB 3.43Å; D41-S43 PolarHBondContact OD2-OG 3.2Å
44	N	89.2	Confident	89.8	Confident	44 Å²	44	66 Å²	66	24%	0.235	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-98.5	9.1	-177.3	-70.6	-36.5	0	0	0	113.9	V37 D38 D41 V42 S46 R47 K48	V37-N44 HydrophobicContact CG1-CB 4.36Å; D38-N44 WeakPolarHBondContact O-CB 3.12Å; D38-N44 PolarHBondContact O-ND2 3.18Å; D41-N44 PolarHBondContact O-N 3.39Å; D41-N44 VanDerWaalsContact O-N 3.15Å; V42-N44 PolarHBondContact O-N 3.48Å; V42-N44 VanDerWaalsContact O-N 3.13Å; N44-S46 VanDerWaalsContact C-N 3.25Å; N44-S46 PolarHBondContact O-N 3.3Å; N44-R47 WeakPolarHBondContact O-CB 3.2Å; N44-R47 PolarHBondContact O-N 2.89Å; N44-K48 WeakPolarHBondContact O-CB 3.26Å; N44-K48 PolarHBondContact O-N 3.21Å
45	E	88.5	Confident	89.5	Confident	120 Å²	120	63.9 Å²	63.9	56%	0.561	34%	0.344	S	S	*	.	H	α-helix	trans	-55.6	-37.9	-178.5	-175.2	168.4	-132.8	0	0	112.9	V42 R47 K48 C49	V42-E45 WeakPolarHBondContact O-CB 3.45Å; V42-E45 PolarHBondContact O-N 2.9Å; V42-E45 VanDerWaalsContact O-N 3.13Å; E45-R47 PolarHBondContact O-N 3.49Å; E45-K48 WeakPolarHBondContact O-CB 3.43Å; E45-K48 PolarHBondContact O-N 3.23Å; E45-C49 PolarHBondContact O-N 2.99Å; E45-C49 PolarHBondContact O-SG 3.01Å; E45-C49 VanDerWaalsContact O-SG 3.38Å
46	S	88.4	Confident	89.1	Confident	99 Å²	99	68.4 Å²	68.4	69%	0.692	36%	0.363	S	S	*	.	H	α-helix	trans	-61.4	-42.7	174.8	-59.4	0	0	0	0	112.9	N44 C49 S50	N44-S46 VanDerWaalsContact C-N 3.25Å; N44-S46 PolarHBondContact O-N 3.3Å; S46-C49 PolarHBondContact O-N 3.22Å; S46-S50 PolarHBondContact O-N 3.13Å; S46-S50 PolarHBondContact O-OG 3.43Å
47	R	87.3	Confident	88.7	Confident	103 Å²	103	70.4 Å²	70.4	39%	0.389	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-43.6	176.2	-70.1	-68.3	-160.4	-159.5	2.2	110.8	Y6 N44 E45 C49 S50 L51	Y6-R47 HydrophobicContact CE1-CB 4.17Å; N44-R47 WeakPolarHBondContact O-CB 3.2Å; N44-R47 PolarHBondContact O-N 2.89Å; E45-R47 PolarHBondContact O-N 3.49Å; R47-C49 VanDerWaalsContact C-N 3.35Å; R47-C49 PolarHBondContact O-N 3.46Å; R47-S50 PolarHBondContact O-N 3.04Å; R47-L51 VanDerWaalsContact O-CB 3.24Å; R47-L51 WeakPolarHBondContact O-CB 3.39Å; R47-L51 PolarHBondContact O-N 3.42Å
48	K	87.3	Confident	88.1	Confident	68 Å²	68	74.7 Å²	74.7	30%	0.296	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-40.6	178.5	-176.5	-179.4	-170.9	166.1	0	112.6	L39 N44 E45 F52	L39-K48 HydrophobicContact CB-CD 4.44Å; L39-K48 HydrophobicContact CB-CG 4.44Å; L39-K48 HydrophobicContact CD2-CB 3.82Å; L39-K48 HydrophobicContact CD2-CG 4.18Å; L39-K48 WeakPolarHBondContact O-CD 3.29Å; L39-K48 WeakPolarHBondContact O-CE 3.37Å; L39-K48 PolarHBondContact O-NZ 2.93Å; N44-K48 WeakPolarHBondContact O-CB 3.26Å; N44-K48 PolarHBondContact O-N 3.21Å; E45-K48 WeakPolarHBondContact O-CB 3.43Å; E45-K48 PolarHBondContact O-N 3.23Å; K48-F52 HydrophobicContact CD-CE2 4.32Å; K48-F52 HydrophobicContact CG-CD2 3.91Å; K48-F52 HydrophobicContact CG-CE2 3.48Å; K48-F52 VanDerWaalsContact CG-CE2 3.48Å; K48-F52 HydrophobicContact CG-CZ 4.3Å; K48-F52 WeakPolarHBondContact O-CD2 3.1Å; K48-F52 WeakPolarHBondContact O-CG 2.99Å; K48-F52 PolarHBondContact O-N 3.23Å
49	C	86.7	Confident	87.5	Confident	72 Å²	72	82.3 Å²	82.3	49%	0.486	42%	0.423	S	S	.	.	H	α-helix	trans	-65.6	-49.4	175	-72.5	0	0	0	0	112.4	E45 S46 R47 L51 F52 E53	E45-C49 PolarHBondContact O-N 2.99Å; E45-C49 PolarHBondContact O-SG 3.01Å; E45-C49 VanDerWaalsContact O-SG 3.38Å; S46-C49 PolarHBondContact O-N 3.22Å; R47-C49 VanDerWaalsContact C-N 3.35Å; R47-C49 PolarHBondContact O-N 3.46Å; C49-L51 VanDerWaalsContact C-N 3.35Å; C49-L51 PolarHBondContact O-N 3.02Å; C49-F52 PolarHBondContact O-N 2.64Å; C49-E53 PolarHBondContact O-N 3.02Å
50	S	86.7	Confident	87.2	Confident	66 Å²	66	85.3 Å²	85.3	46%	0.462	44%	0.436	S	S	.	.	H	α-helix	trans	-58.9	-45.6	175.9	-58.7	0	0	0	0	112.1	S46 R47 F52 E53 E54	S46-S50 PolarHBondContact O-N 3.13Å; S46-S50 PolarHBondContact O-OG 3.43Å; R47-S50 PolarHBondContact O-N 3.04Å; S50-F52 PolarHBondContact O-N 3.02Å; S50-E53 WeakPolarHBondContact O-CB 3.48Å; S50-E53 PolarHBondContact O-N 3.44Å; S50-E54 PolarHBondContact O-N 2.96Å
51	L	88.6	Confident	86.9	Confident	3 Å²	3	87.9 Å²	87.9	2%	0.016	45%	0.452	C	S	.	.	H	α-helix	trans	-54.8	-52.5	175.6	171.5	62.4	0	0	0	112.1	Y6 L39 R47 C49 E53 E54 L55 H66 F68	Y6-L51 HydrophobicContact CD1-CD2 3.96Å; Y6-L51 HydrophobicContact CD2-CD1 4.15Å; Y6-L51 HydrophobicContact CD2-CD2 4.18Å; Y6-L51 HydrophobicContact CE1-CD2 4.48Å; Y6-L51 HydrophobicContact CE2-CD1 4.35Å; Y6-L51 HydrophobicContact CG-CD2 3.78Å; L39-L51 HydrophobicContact CD1-CD2 3.46Å; L39-L51 VanDerWaalsContact CD1-CD2 3.46Å; L39-L51 HydrophobicContact CD2-CD2 3.65Å; L39-L51 HydrophobicContact CG-CD2 4.15Å; R47-L51 VanDerWaalsContact O-CB 3.24Å; R47-L51 WeakPolarHBondContact O-CB 3.39Å; R47-L51 PolarHBondContact O-N 3.42Å; C49-L51 VanDerWaalsContact C-N 3.35Å; C49-L51 PolarHBondContact O-N 3.02Å; L51-E53 VanDerWaalsContact C-N 3.32Å; L51-E53 PolarHBondContact O-N 3.44Å; L51-E54 PolarHBondContact O-N 3.43Å; L51-L55 HydrophobicContact CD1-CD1 3.68Å; L51-L55 HydrophobicContact CD1-CD2 4.5Å; L51-L55 HydrophobicContact CD1-CG 3.96Å; L51-L55 HydrophobicContact CG-CD1 3.82Å; L51-L55 HydrophobicContact CG-CG 4.48Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.26Å; L51-L55 PolarHBondContact O-N 2.88Å; L51-H66 HydrophobicContact CD1-CB 4.41Å; L51-F68 HydrophobicContact CD1-CD2 4.43Å; L51-F68 HydrophobicContact CD1-CE2 3.26Å; L51-F68 HydrophobicContact CD1-CZ 3.36Å
52	F	87.7	Confident	86.5	Confident	68 Å²	68	88.5 Å²	88.5	30%	0.298	46%	0.455	S	S	.	.	H	α-helix	trans	-67.3	-31.5	179.6	-70.9	-42.4	0	0	0	113.1	K48 C49 S50 L55 K56 L62	K48-F52 HydrophobicContact CD-CE2 4.32Å; K48-F52 HydrophobicContact CG-CD2 3.91Å; K48-F52 HydrophobicContact CG-CE2 3.48Å; K48-F52 VanDerWaalsContact CG-CE2 3.48Å; K48-F52 HydrophobicContact CG-CZ 4.3Å; K48-F52 WeakPolarHBondContact O-CD2 3.1Å; K48-F52 WeakPolarHBondContact O-CG 2.99Å; K48-F52 PolarHBondContact O-N 3.23Å; C49-F52 PolarHBondContact O-N 2.64Å; S50-F52 PolarHBondContact O-N 3.02Å; F52-L55 HydrophobicContact CD1-CD1 4.12Å; F52-K56 WeakPolarHBondContact O-CB 3.47Å; F52-K56 PolarHBondContact O-N 3.35Å; F52-K56 VanDerWaalsContact O-N 3.07Å; F52-L62 HydrophobicContact CD1-CB 4.06Å; F52-L62 HydrophobicContact CD1-CD2 4.21Å; F52-L62 HydrophobicContact CE1-CB 3.98Å
53	E	89.1	Confident	86.4	Confident	114 Å²	114	86.5 Å²	86.5	53%	0.533	44%	0.443	S	S	.	.	H	α-helix	trans	-62.5	-44.4	170.1	-85.7	-161.9	-153.6	0	0	112.4	C49 S50 L51 K57	C49-E53 PolarHBondContact O-N 3.02Å; S50-E53 WeakPolarHBondContact O-CB 3.48Å; S50-E53 PolarHBondContact O-N 3.44Å; L51-E53 VanDerWaalsContact C-N 3.32Å; L51-E53 PolarHBondContact O-N 3.44Å; E53-K57 VanDerWaalsContact O-CD 3.28Å; E53-K57 WeakPolarHBondContact O-CD 3.39Å; E53-K57 WeakPolarHBondContact O-CE 3.37Å; E53-K57 WeakPolarHBondContact O-CG 3.47Å; E53-K57 PolarHBondContact O-N 3.41Å; E53-K57 IonicContact OE2-NZ 2.65Å; E53-K57 PolarHBondContact OE2-NZ 2.98Å
54	E	85.8	Confident	86.5	Confident	56 Å²	56	82.8 Å²	82.8	26%	0.262	42%	0.416	S	S	.	.	H	α-helix	trans	-70.3	-43.8	-179.3	-74.7	-176	-126.4	0	0	113.4	S50 L51 K56 K57 K58	S50-E54 PolarHBondContact O-N 2.96Å; L51-E54 PolarHBondContact O-N 3.43Å; E54-K56 VanDerWaalsContact C-N 3.28Å; E54-K56 PolarHBondContact O-N 3.06Å; E54-K57 PolarHBondContact O-N 2.93Å; E54-K58 WeakPolarHBondContact O-CG 3.42Å; E54-K58 PolarHBondContact O-N 3.2Å; E54-K58 VanDerWaalsContact O-N 3.11Å
55	L	87	Confident	86.7	Confident	1 Å²	1	80.9 Å²	80.9	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-59.6	-42	174.1	-66.4	167.3	0	0	0	110.9	L51 F52 K58 E59 K60 L62 H66 Y73	L51-L55 HydrophobicContact CD1-CD1 3.68Å; L51-L55 HydrophobicContact CD1-CD2 4.5Å; L51-L55 HydrophobicContact CD1-CG 3.96Å; L51-L55 HydrophobicContact CG-CD1 3.82Å; L51-L55 HydrophobicContact CG-CG 4.48Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.26Å; L51-L55 PolarHBondContact O-N 2.88Å; F52-L55 HydrophobicContact CD1-CD1 4.12Å; L55-K58 CarbonylContact O-C 3.51Å; L55-K58 PolarHBondContact O-N 3.37Å; L55-K58 VanDerWaalsContact O-N 3.09Å; L55-E59 PolarHBondContact O-N 3.35Å; L55-K60 HydrophobicContact CD2-CB 4.09Å; L55-K60 PolarHBondContact O-N 3.32Å; L55-L62 HydrophobicContact CB-CD2 3.47Å; L55-L62 VanDerWaalsContact CB-CD2 3.47Å; L55-L62 HydrophobicContact CD1-CD2 4.09Å; L55-L62 HydrophobicContact CG-CD2 4.44Å; L55-H66 WeakPolarHBondContact CD1-NE2 3.27Å; L55-Y73 HydrophobicContact CD2-CD2 3.71Å; L55-Y73 HydrophobicContact CD2-CE2 3.31Å
56	K	86.8	Confident	86.9	Confident	166 Å²	166	75.1 Å²	75.1	72%	0.722	38%	0.379	S	S	*	.	H	α-helix	trans	-68.2	-31.7	177	-172.7	173.9	-177.4	177.5	0	113.2	F52 E54 K58	F52-K56 WeakPolarHBondContact O-CB 3.47Å; F52-K56 PolarHBondContact O-N 3.35Å; F52-K56 VanDerWaalsContact O-N 3.07Å; E54-K56 VanDerWaalsContact C-N 3.28Å; E54-K56 PolarHBondContact O-N 3.06Å; K56-K58 PolarHBondContact O-N 2.91Å
57	K	86.6	Confident	87.2	Confident	145 Å²	145	70.4 Å²	70.4	63%	0.63	35%	0.346	S	S	*	.	H	α-helix	trans	-69.4	-21.3	170.7	-70.6	157.3	-162.4	164.4	0	112.6	E53 E54	E53-K57 VanDerWaalsContact O-CD 3.28Å; E53-K57 WeakPolarHBondContact O-CD 3.39Å; E53-K57 WeakPolarHBondContact O-CE 3.37Å; E53-K57 WeakPolarHBondContact O-CG 3.47Å; E53-K57 PolarHBondContact O-N 3.41Å; E53-K57 IonicContact OE2-NZ 2.65Å; E53-K57 PolarHBondContact OE2-NZ 2.98Å; E54-K57 PolarHBondContact O-N 2.93Å
58	K	80.8	Confident	87.5	Confident	95 Å²	95	65.7 Å²	65.7	41%	0.413	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	4.9	-178.9	-66.4	173.6	177.5	170.6	0	113.7	E54 L55 K56 K60	E54-K58 WeakPolarHBondContact O-CG 3.42Å; E54-K58 PolarHBondContact O-N 3.2Å; E54-K58 VanDerWaalsContact O-N 3.11Å; L55-K58 CarbonylContact O-C 3.51Å; L55-K58 PolarHBondContact O-N 3.37Å; L55-K58 VanDerWaalsContact O-N 3.09Å; K56-K58 PolarHBondContact O-N 2.91Å; K58-K60 HydrophobicContact CB-CG 4.07Å; K58-K60 WeakPolarHBondContact O-CG 3.41Å; K58-K60 PolarHBondContact O-N 2.76Å; K58-K60 VanDerWaalsContact O-N 3.13Å
59	E	81.8	Confident	87.7	Confident	188 Å²	188	63.3 Å²	63.3	88%	0.879	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	26.5	-174.9	-56.4	-164.5	145.3	0	0	115.1	L55	L55-E59 PolarHBondContact O-N 3.35Å
60	K	82.9	Confident	87.8	Confident	65 Å²	65	62.7 Å²	62.7	28%	0.283	31%	0.311	S	S	.	.			trans	-87.3	155.5	-176.6	-70.1	-154.1	169.9	-159	0	112.7	L55 K58 L62 Y73 E79	L55-K60 HydrophobicContact CD2-CB 4.09Å; L55-K60 PolarHBondContact O-N 3.32Å; K58-K60 HydrophobicContact CB-CG 4.07Å; K58-K60 WeakPolarHBondContact O-CG 3.41Å; K58-K60 PolarHBondContact O-N 2.76Å; K58-K60 VanDerWaalsContact O-N 3.13Å; K60-L62 PolarHBondContact O-N 2.95Å; K60-Y73 HydrophobicContact CD-CD1 4.08Å; K60-Y73 HydrophobicContact CD-CE1 3.28Å; K60-Y73 WeakPolarHBondContact CD-OH 3.15Å; K60-E79 IonicContact NZ-OE1 2.7Å; K60-E79 PolarHBondContact NZ-OE1 2.79Å
61	P	83.2	Confident	87.8	Confident	83 Å²	83	67.2 Å²	67.2	54%	0.539	33%	0.325	S	S	.	.			trans	-56.1	135.8	179.4	22.1	-34.4	0	0	0	111.6	V63 H66	P61-V63 PolarHBondContact O-N 3.43Å; P61-H66 PolarHBondContact O-CE1 2.95Å; P61-H66 PolarHBondContact O-NE2 3.04Å
62	L	83.6	Confident	87.9	Confident	87 Å²	87	71.9 Å²	71.9	46%	0.455	35%	0.346	S	S	.	.	S	Bend	trans	-87.6	28.6	179.4	-50.3	-175.9	0	0	0	112.4	F52 L55 K60	F52-L62 HydrophobicContact CD1-CB 4.06Å; F52-L62 HydrophobicContact CD1-CD2 4.21Å; F52-L62 HydrophobicContact CE1-CB 3.98Å; L55-L62 HydrophobicContact CB-CD2 3.47Å; L55-L62 VanDerWaalsContact CB-CD2 3.47Å; L55-L62 HydrophobicContact CD1-CD2 4.09Å; L55-L62 HydrophobicContact CG-CD2 4.44Å; K60-L62 PolarHBondContact O-N 2.95Å
63	V	87.9	Confident	88.1	Confident	80 Å²	80	69.3 Å²	69.3	49%	0.485	34%	0.335	S	S	.	.	S	Bend	trans	-121	111	-170.6	-179	0	0	0	0	108.7	V16 P61 H66	V16-V63 HydrophobicContact CG2-CG1 3.39Å; P61-V63 PolarHBondContact O-N 3.43Å; V63-H66 PolarHBondContact N-NE2 2.79Å; V63-H66 PolarHBondContact O-CE1 3.03Å; V63-H66 PolarHBondContact O-NE2 3.15Å
64	P	90.2	Very high	88.2	Confident	16 Å²	16	64.9 Å²	64.9	10%	0.104	32%	0.315	C	S	.	.	S	Bend	trans	-62.3	148.7	178.7	-20.1	31.9	0	0	0	111	V16 Q20 L39	V16-P64 VanDerWaalsContact CG1-O 3.26Å; V16-P64 WeakPolarHBondContact CG1-O 3.41Å; Q20-P64 PolarHBondContact NE2-O 3.41Å; L39-P64 HydrophobicContact CD1-CB 4.44Å; L39-P64 HydrophobicContact CD1-CG 3.57Å
65	P	93.2	Very high	88.6	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.019	30%	0.302	C	S	.	.			cis	-83.3	150	21.4	30.9	-34.1	0	0	0	114.9	Y6 E19 Q20 I23 G76	Y6-P65 WeakPolarHBondContact O-CA 3.26Å; E19-P65 HydrophobicContact CB-CG 4.22Å; Q20-P65 HydrophobicContact CG-CB 3.95Å; Q20-P65 HydrophobicContact CG-CG 4.26Å; I23-P65 HydrophobicContact CD1-CB 3.71Å; I23-P65 HydrophobicContact CD1-CG 3.4Å; I23-P65 HydrophobicContact CG1-CG 4.47Å; P65-G76 WeakPolarHBondContact O-CA 3.18Å
66	H	93.6	Very high	88.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.5	170.8	-56.2	-44.4	0	0	0	110.8	Y6 L51 L55 P61 V63 F68 Y73	Y6-H66 PolarHBondContact N-O 3.46Å; Y6-H66 PolarHBondContact O-N 3.09Å; L51-H66 HydrophobicContact CD1-CB 4.41Å; L55-H66 WeakPolarHBondContact CD1-NE2 3.27Å; P61-H66 PolarHBondContact O-CE1 2.95Å; P61-H66 PolarHBondContact O-NE2 3.04Å; V63-H66 PolarHBondContact N-NE2 2.79Å; V63-H66 PolarHBondContact O-CE1 3.03Å; V63-H66 PolarHBondContact O-NE2 3.15Å; H66-F68 HydrophobicContact CB-CE2 4.11Å; H66-Y73 HydrophobicContact CB-CE2 4.15Å
67	I	94.3	Very high	89.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.5	-176	-52.5	177.4	0	0	0	109.8	L3 K4 I23 L74 G75 F80 F92 L93	L3-I67 HydrophobicContact CD1-CG2 3.73Å; L3-I67 HydrophobicContact CD2-CG2 4.45Å; L3-I67 HydrophobicContact CG-CG2 4.15Å; K4-I67 WeakPolarHBondContact O-CA 3.45Å; I23-I67 HydrophobicContact CD1-CD1 4.25Å; I23-I67 HydrophobicContact CG2-CD1 3.87Å; I23-I67 HydrophobicContact CG2-CG1 4.46Å; I67-L74 HydrophobicContact CG2-CD1 4.11Å; I67-L74 PolarHBondContact O-N 2.98Å; I67-G75 PolarHBondContact N-O 2.92Å; I67-F80 HydrophobicContact CD1-CB 3.92Å; I67-F80 HydrophobicContact CD1-CD2 3.22Å; I67-F80 HydrophobicContact CD1-CE2 3.86Å; I67-F80 HydrophobicContact CD1-CG 3.79Å; I67-F92 HydrophobicContact CD1-CE1 4.08Å; I67-L93 HydrophobicContact CG2-CD2 4.14Å
68	F	92.8	Very high	89.5	Confident	3 Å²	3	56 Å²	56	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.6	179.3	-78	-114.3	0	0	0	111	L3 K4 Y6 L51 H66 E72 Y73	L3-F68 CarbonylContact C-O 3.54Å; L3-F68 WeakPolarHBondContact CA-O 3.36Å; K4-F68 HydrophobicContact CB-CB 4.25Å; K4-F68 PolarHBondContact N-O 3.43Å; K4-F68 PolarHBondContact O-N 3.1Å; Y6-F68 AromaticContact CD2-CD2 3.54Å; Y6-F68 HydrophobicContact CD2-CD2 3.54Å; Y6-F68 AromaticContact CD2-CE2 3.79Å; Y6-F68 HydrophobicContact CD2-CE2 3.79Å; Y6-F68 HydrophobicContact CD2-CG 4.36Å; Y6-F68 HydrophobicContact CE2-CB 4.23Å; Y6-F68 HydrophobicContact CE2-CD1 4.46Å; Y6-F68 AromaticContact CE2-CD2 3.41Å; Y6-F68 HydrophobicContact CE2-CD2 3.41Å; Y6-F68 VanDerWaalsContact CE2-CD2 3.41Å; Y6-F68 AromaticContact CE2-CE2 3.75Å; Y6-F68 HydrophobicContact CE2-CE2 3.75Å; Y6-F68 AromaticContact CE2-CG 3.81Å; Y6-F68 HydrophobicContact CE2-CG 3.81Å; Y6-F68 HydrophobicContact CE2-CZ 4.41Å; L51-F68 HydrophobicContact CD1-CD2 4.43Å; L51-F68 HydrophobicContact CD1-CE2 3.26Å; L51-F68 HydrophobicContact CD1-CZ 3.36Å; H66-F68 HydrophobicContact CB-CE2 4.11Å; F68-E72 CarbonylContact C-O 3.39Å; F68-E72 VanDerWaalsContact CA-O 3.27Å; F68-E72 WeakPolarHBondContact CA-O 3.28Å; F68-Y73 VanDerWaalsContact CD1-N 3.33Å; F68-Y73 HydrophobicContact CD2-CD2 4.16Å; F68-Y73 HydrophobicContact CE1-CD2 4.39Å; F68-Y73 AromaticContact CE2-CD2 3.47Å; F68-Y73 HydrophobicContact CE2-CD2 3.47Å; F68-Y73 VanDerWaalsContact CE2-CD2 3.47Å; F68-Y73 HydrophobicContact CE2-CE2 4.28Å; F68-Y73 HydrophobicContact CE2-CG 4.33Å; F68-Y73 AromaticContact CZ-CD2 3.61Å; F68-Y73 HydrophobicContact CZ-CD2 3.61Å; F68-Y73 HydrophobicContact CZ-CG 4.23Å
69	L	92.4	Very high	90.1	Very high	18 Å²	18	53.8 Å²	53.8	9%	0.094	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.7	164.8	-177.3	61.5	0	0	0	109.2	M1 E71 E72 L74 K94	M1-L69 HydrophobicContact CB-CD1 4.15Å; M1-L69 HydrophobicContact CG-CD1 4.36Å; L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 PolarHBondContact O-N 3.42Å; L69-E72 PolarHBondContact N-O 3.09Å; L69-E72 PolarHBondContact O-N 2.97Å; L69-L74 HydrophobicContact CB-CD1 4.17Å; L69-L74 HydrophobicContact CB-CD2 4.34Å; L69-L74 HydrophobicContact CB-CG 4.39Å; L69-K94 HydrophobicContact CD2-CB 3.9Å; L69-K94 HydrophobicContact CD2-CD 4.17Å
70	D	88.6	Confident	90.8	Very high	60 Å²	60	44.9 Å²	44.9	32%	0.321	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-78.3	-170.5	-59.2	-53.1	0	0	0	114.3	M1 V2 K4	M1-D70 VanDerWaalsContact CA-CG 3.5Å; M1-D70 VanDerWaalsContact CA-OD1 3.26Å; M1-D70 WeakPolarHBondContact CA-OD1 3.5Å; M1-D70 WeakPolarHBondContact CA-OD2 3.48Å; M1-D70 PolarHBondContact N-OD1 3.48Å; M1-D70 PolarHBondContact N-OD2 3.07Å; V2-D70 PolarHBondContact N-OD1 3.48Å; V2-D70 PolarHBondContact O-N 3.42Å; K4-D70 PolarHBondContact NZ-O 2.81Å
71	E	88	Confident	91.3	Very high	160 Å²	160	45.6 Å²	45.6	75%	0.748	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133	-0.6	178	-62.6	-174.4	164.2	0	0	112.1	L69	L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 PolarHBondContact O-N 3.42Å
72	E	89.7	Confident	91.9	Very high	101 Å²	101	46.4 Å²	46.4	47%	0.472	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	112.6	-179.2	-163	-168	170.4	0	0	111.3	F68 L69 L74 K94	F68-E72 CarbonylContact C-O 3.39Å; F68-E72 VanDerWaalsContact CA-O 3.27Å; F68-E72 WeakPolarHBondContact CA-O 3.28Å; L69-E72 PolarHBondContact N-O 3.09Å; L69-E72 PolarHBondContact O-N 2.97Å; E72-L74 PolarHBondContact O-N 2.74Å; E72-K94 IonicContact OE1-NZ 2.75Å; E72-K94 PolarHBondContact OE1-NZ 3.11Å; E72-K94 IonicContact OE2-NZ 2.65Å; E72-K94 PolarHBondContact OE2-NZ 2.79Å
73	Y	91.8	Very high	92.4	Very high	14 Å²	14	42.5 Å²	42.5	6%	0.055	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	127	168.9	-179.6	-82.5	0	0	0	111.2	L55 K60 H66 F68 G76	L55-Y73 HydrophobicContact CD2-CD2 3.71Å; L55-Y73 HydrophobicContact CD2-CE2 3.31Å; K60-Y73 HydrophobicContact CD-CD1 4.08Å; K60-Y73 HydrophobicContact CD-CE1 3.28Å; K60-Y73 WeakPolarHBondContact CD-OH 3.15Å; H66-Y73 HydrophobicContact CB-CE2 4.15Å; F68-Y73 VanDerWaalsContact CD1-N 3.33Å; F68-Y73 HydrophobicContact CD2-CD2 4.16Å; F68-Y73 HydrophobicContact CE1-CD2 4.39Å; F68-Y73 AromaticContact CE2-CD2 3.47Å; F68-Y73 HydrophobicContact CE2-CD2 3.47Å; F68-Y73 VanDerWaalsContact CE2-CD2 3.47Å; F68-Y73 HydrophobicContact CE2-CE2 4.28Å; F68-Y73 HydrophobicContact CE2-CG 4.33Å; F68-Y73 AromaticContact CZ-CD2 3.61Å; F68-Y73 HydrophobicContact CZ-CD2 3.61Å; F68-Y73 HydrophobicContact CZ-CG 4.23Å; Y73-G76 PolarHBondContact OH-N 3.2Å
74	L	92	Very high	92.7	Very high	22 Å²	22	40.5 Å²	40.5	12%	0.115	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-60.5	173.7	-56.8	178.9	0	0	0	110.9	L3 I67 L69 E72 F92 L93 K94	L3-L74 HydrophobicContact CD1-CD1 3.92Å; I67-L74 HydrophobicContact CG2-CD1 4.11Å; I67-L74 PolarHBondContact O-N 2.98Å; L69-L74 HydrophobicContact CB-CD1 4.17Å; L69-L74 HydrophobicContact CB-CD2 4.34Å; L69-L74 HydrophobicContact CB-CG 4.39Å; E72-L74 PolarHBondContact O-N 2.74Å; L74-F92 HydrophobicContact CB-CE1 4.16Å; L74-F92 HydrophobicContact CB-CE2 4.26Å; L74-F92 HydrophobicContact CB-CZ 3.87Å; L74-F92 WeakPolarHBondContact CD1-O 3.45Å; L74-L93 HydrophobicContact CD1-CD2 4.34Å; L74-K94 HydrophobicContact CD2-CD 4Å
75	G	92.8	Very high	92.9	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	173.8	-174.2	0	0	0	0	0	114.1	I67	I67-G75 PolarHBondContact N-O 2.92Å
76	G	93.3	Very high	93	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	24%	0.239	C	C	.	.			trans	-94.3	-144.8	166.3	0	0	0	0	0	111	P65 Y73 E79 F80	P65-G76 WeakPolarHBondContact O-CA 3.18Å; Y73-G76 PolarHBondContact OH-N 3.2Å; G76-E79 WeakPolarHBondContact CA-OE2 3.42Å; G76-E79 PolarHBondContact N-OE2 2.92Å; G76-F80 WeakPolarHBondContact O-CB 3.38Å
77	Y	93.9	Very high	92.8	Very high	58 Å²	58	58.6 Å²	58.6	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-70.5	-47	171.5	177.5	-93.8	0	0	0	112.4	E19 L22 I23 F80 Y81	E19-Y77 HydrophobicContact CB-CD2 3.45Å; E19-Y77 VanDerWaalsContact CB-CD2 3.45Å; E19-Y77 HydrophobicContact CB-CE2 3.91Å; E19-Y77 HydrophobicContact CB-CG 3.92Å; E19-Y77 HydrophobicContact CG-CD1 4.13Å; E19-Y77 HydrophobicContact CG-CD2 3.64Å; E19-Y77 HydrophobicContact CG-CE1 4.36Å; E19-Y77 HydrophobicContact CG-CE2 3.87Å; E19-Y77 HydrophobicContact CG-CG 3.77Å; L22-Y77 HydrophobicContact CB-CE2 4.4Å; L22-Y77 HydrophobicContact CD2-CE2 3.71Å; L22-Y77 WeakPolarHBondContact CD2-OH 3.43Å; I23-Y77 HydrophobicContact CD1-CD2 4.12Å; I23-Y77 HydrophobicContact CG1-CD2 4.24Å; Y77-F80 PolarHBondContact O-N 3.35Å; Y77-Y81 HydrophobicContact CE1-CD2 4.4Å; Y77-Y81 HydrophobicContact CE1-CG 4.26Å; Y77-Y81 WeakPolarHBondContact O-CB 3.24Å; Y77-Y81 PolarHBondContact O-N 2.87Å
78	E	93.8	Very high	92.7	Very high	120 Å²	120	63.8 Å²	63.8	56%	0.561	30%	0.301	S	S	*	.	H	α-helix	trans	-62.8	-52.2	-171.9	-151.5	78	164.6	0	0	111.5	F80 Y81 E82	E78-F80 PolarHBondContact O-N 2.87Å; E78-Y81 PolarHBondContact O-N 2.7Å; E78-E82 WeakPolarHBondContact O-CG 3.26Å; E78-E82 PolarHBondContact O-N 2.99Å
79	E	93.4	Very high	92.7	Very high	48 Å²	48	63.9 Å²	63.9	22%	0.224	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-25.5	-178.1	-52.2	106.2	125	0	0	112.7	K60 G76 A83 F92	K60-E79 IonicContact NZ-OE1 2.7Å; K60-E79 PolarHBondContact NZ-OE1 2.79Å; G76-E79 WeakPolarHBondContact CA-OE2 3.42Å; G76-E79 PolarHBondContact N-OE2 2.92Å; E79-A83 WeakPolarHBondContact O-CB 3.18Å; E79-A83 PolarHBondContact O-N 2.88Å; E79-F92 HydrophobicContact CB-CE2 3.87Å
80	F	94.7	Very high	92.6	Very high	1 Å²	1	65 Å²	65	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-73.5	-41.5	171.1	175.3	-88.2	0	0	0	111.2	I23 L26 L27 I67 G76 Y77 E78 A83 V84 L89 F92	I23-F80 HydrophobicContact CB-CE1 4.17Å; I23-F80 HydrophobicContact CB-CZ 4.3Å; I23-F80 HydrophobicContact CD1-CB 4.43Å; I23-F80 HydrophobicContact CD1-CD1 4.11Å; I23-F80 HydrophobicContact CD1-CG 4.24Å; I23-F80 HydrophobicContact CG1-CD1 3.67Å; I23-F80 HydrophobicContact CG1-CE1 3.71Å; I23-F80 HydrophobicContact CG1-CG 4.23Å; I23-F80 HydrophobicContact CG1-CZ 4.28Å; I23-F80 HydrophobicContact CG2-CD2 4.42Å; I23-F80 HydrophobicContact CG2-CE1 4.23Å; I23-F80 HydrophobicContact CG2-CE2 4.02Å; I23-F80 HydrophobicContact CG2-CZ 3.92Å; L26-F80 HydrophobicContact CB-CZ 4.27Å; L26-F80 HydrophobicContact CD2-CE1 3.86Å; L26-F80 HydrophobicContact CD2-CZ 3.92Å; L26-F80 HydrophobicContact CG-CZ 4.4Å; L27-F80 HydrophobicContact CD2-CE2 4.12Å; L27-F80 HydrophobicContact CG-CE2 4.3Å; L27-F80 HydrophobicContact CG-CZ 4.41Å; I67-F80 HydrophobicContact CD1-CB 3.92Å; I67-F80 HydrophobicContact CD1-CD2 3.22Å; I67-F80 HydrophobicContact CD1-CE2 3.86Å; I67-F80 HydrophobicContact CD1-CG 3.79Å; G76-F80 WeakPolarHBondContact O-CB 3.38Å; Y77-F80 PolarHBondContact O-N 3.35Å; E78-F80 PolarHBondContact O-N 2.87Å; F80-A83 PolarHBondContact O-N 2.93Å; F80-V84 HydrophobicContact CD1-CG2 4.23Å; F80-V84 HydrophobicContact CE1-CG2 3.98Å; F80-V84 HydrophobicContact CZ-CG2 4.39Å; F80-V84 VanDerWaalsContact O-CG2 3.29Å; F80-V84 WeakPolarHBondContact O-CG2 3.5Å; F80-V84 PolarHBondContact O-N 3.34Å; F80-L89 HydrophobicContact CD2-CD1 3.63Å; F80-L89 HydrophobicContact CE2-CD1 3.47Å; F80-L89 VanDerWaalsContact CE2-CD1 3.47Å; F80-L89 HydrophobicContact CE2-CD2 4.3Å; F80-L89 HydrophobicContact CG-CD1 4.46Å; F80-L89 HydrophobicContact CZ-CD1 4.16Å; F80-L89 HydrophobicContact CZ-CD2 4.34Å; F80-F92 HydrophobicContact CB-CE1 4.15Å; F80-F92 HydrophobicContact CB-CZ 4.17Å; F80-F92 HydrophobicContact CD2-CD1 4.38Å; F80-F92 AromaticContact CD2-CE1 3.94Å; F80-F92 HydrophobicContact CD2-CE1 3.94Å
81	Y	94.4	Very high	92.7	Very high	80 Å²	80	66.1 Å²	66.1	31%	0.314	32%	0.319	S	S	.	.	H	α-helix	trans	-67.1	-44.2	179.4	-176.8	-92.9	0	0	0	111.4	L22 Y77 E78 A83 V84 E85	L22-Y81 HydrophobicContact CD2-CD2 4.36Å; Y77-Y81 HydrophobicContact CE1-CD2 4.4Å; Y77-Y81 HydrophobicContact CE1-CG 4.26Å; Y77-Y81 WeakPolarHBondContact O-CB 3.24Å; Y77-Y81 PolarHBondContact O-N 2.87Å; E78-Y81 PolarHBondContact O-N 2.7Å; Y81-A83 VanDerWaalsContact C-N 3.33Å; Y81-A83 PolarHBondContact O-N 2.91Å; Y81-V84 WeakPolarHBondContact O-CB 2.99Å; Y81-V84 PolarHBondContact O-N 3.31Å; Y81-E85 HydrophobicContact CD1-CG 4.3Å; Y81-E85 HydrophobicContact CE1-CG 3.72Å; Y81-E85 WeakPolarHBondContact CE1-OE1 3.33Å; Y81-E85 PolarHBondContact O-N 3.46Å; Y81-E85 PolarHBondContact OH-OE1 3.26Å
82	E	95.7	Very high	92.9	Very high	100 Å²	100	60.1 Å²	60.1	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-54.3	-47	170.1	-71	176.6	162.6	0	0	111.5	E78 V84 E85 M86	E78-E82 WeakPolarHBondContact O-CG 3.26Å; E78-E82 PolarHBondContact O-N 2.99Å; E82-V84 PolarHBondContact O-N 3.09Å; E82-E85 PolarHBondContact O-N 2.98Å; E82-M86 HydrophobicContact CB-CE 4.33Å; E82-M86 WeakPolarHBondContact O-CG 3.42Å; E82-M86 PolarHBondContact O-N 3.01Å
83	A	94.5	Very high	93	Very high	5 Å²	5	55.3 Å²	55.3	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-20.2	177.7	0	0	0	0	0	113.7	E79 F80 Y81 E88 L89 F92	E79-A83 WeakPolarHBondContact O-CB 3.18Å; E79-A83 PolarHBondContact O-N 2.88Å; F80-A83 PolarHBondContact O-N 2.93Å; Y81-A83 VanDerWaalsContact C-N 3.33Å; Y81-A83 PolarHBondContact O-N 2.91Å; A83-E88 CarbonylContact O-C 3.44Å; A83-E88 PolarHBondContact O-N 2.97Å; A83-L89 PolarHBondContact O-N 2.99Å; A83-F92 HydrophobicContact CB-CB 3.53Å; A83-F92 HydrophobicContact CB-CD1 4.44Å; A83-F92 HydrophobicContact CB-CD2 4.06Å; A83-F92 HydrophobicContact CB-CG 3.77Å
84	V	93.5	Very high	92.8	Very high	38 Å²	38	59 Å²	59	23%	0.23	28%	0.284	C	S	.	.	H	α-helix	trans	-80.5	-44.9	171.9	171.9	0	0	0	0	110.9	L26 F80 Y81 E82 M86 E87 L89	L26-V84 HydrophobicContact CD2-CB 4.32Å; L26-V84 HydrophobicContact CD2-CG1 3.92Å; L26-V84 HydrophobicContact CD2-CG2 3.36Å; F80-V84 HydrophobicContact CD1-CG2 4.23Å; F80-V84 HydrophobicContact CE1-CG2 3.98Å; F80-V84 HydrophobicContact CZ-CG2 4.39Å; F80-V84 VanDerWaalsContact O-CG2 3.29Å; F80-V84 WeakPolarHBondContact O-CG2 3.5Å; F80-V84 PolarHBondContact O-N 3.34Å; Y81-V84 WeakPolarHBondContact O-CB 2.99Å; Y81-V84 PolarHBondContact O-N 3.31Å; E82-V84 PolarHBondContact O-N 3.09Å; V84-M86 VanDerWaalsContact C-N 3.3Å; V84-M86 PolarHBondContact O-N 3.43Å; V84-E87 PolarHBondContact O-N 3.23Å; V84-E87 VanDerWaalsContact O-N 3.15Å; V84-L89 HydrophobicContact CG2-CB 4.44Å; V84-L89 HydrophobicContact CG2-CD1 4.21Å; V84-L89 HydrophobicContact CG2-CD2 4.06Å; V84-L89 HydrophobicContact CG2-CG 4.46Å
85	E	94.6	Very high	92.5	Very high	111 Å²	111	60.3 Å²	60.3	52%	0.519	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-31.7	178.1	-69.8	-164.6	146.3	0	0	113.1	Y81 E82 E87	Y81-E85 HydrophobicContact CD1-CG 4.3Å; Y81-E85 HydrophobicContact CE1-CG 3.72Å; Y81-E85 WeakPolarHBondContact CE1-OE1 3.33Å; Y81-E85 PolarHBondContact O-N 3.46Å; Y81-E85 PolarHBondContact OH-OE1 3.26Å; E82-E85 PolarHBondContact O-N 2.98Å; E85-E87 VanDerWaalsContact C-N 3.29Å
86	M	94.3	Very high	91.4	Very high	114 Å²	114	66.4 Å²	66.4	56%	0.562	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	2.4	175.5	-62.7	-172.6	-63.3	0	0	113.9	E82 V84 E88	E82-M86 HydrophobicContact CB-CE 4.33Å; E82-M86 WeakPolarHBondContact O-CG 3.42Å; E82-M86 PolarHBondContact O-N 3.01Å; V84-M86 VanDerWaalsContact C-N 3.3Å; V84-M86 PolarHBondContact O-N 3.43Å; M86-E88 HydrophobicContact CB-CB 4.47Å; M86-E88 HydrophobicContact CB-CG 4.1Å; M86-E88 PolarHBondContact O-N 3.49Å
87	E	91.1	Very high	90.1	Very high	174 Å²	174	69.1 Å²	69.1	81%	0.813	36%	0.359	S	S	*	.	S	Bend	trans	60.3	2.6	-170.8	-56.5	-174.6	171.2	0	0	115	V84 E85 L89	V84-E87 PolarHBondContact O-N 3.23Å; V84-E87 VanDerWaalsContact O-N 3.15Å; E85-E87 VanDerWaalsContact C-N 3.29Å; E87-L89 VanDerWaalsContact C-N 3.3Å; E87-L89 PolarHBondContact O-N 3.2Å
88	E	92.3	Very high	88.2	Confident	109 Å²	109	70.3 Å²	70.3	51%	0.509	37%	0.366	S	S	.	.			trans	-80.7	11.3	-176	-62.9	-159.6	158.2	0	0	115.6	A83 M86 E90 S91 F92	A83-E88 CarbonylContact O-C 3.44Å; A83-E88 PolarHBondContact O-N 2.97Å; M86-E88 HydrophobicContact CB-CB 4.47Å; M86-E88 HydrophobicContact CB-CG 4.1Å; M86-E88 PolarHBondContact O-N 3.49Å; E88-E90 PolarHBondContact O-N 3.34Å; E88-S91 WeakPolarHBondContact O-CA 3.4Å; E88-S91 VanDerWaalsContact O-CB 3.23Å; E88-S91 WeakPolarHBondContact O-CB 3.46Å; E88-S91 PolarHBondContact O-N 3.01Å; E88-F92 PolarHBondContact O-N 2.91Å
89	L	91.1	Very high	86.4	Confident	5 Å²	5	73.2 Å²	73.2	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-53	-34.4	-171.3	-179.9	62.8	0	0	0	113.9	L26 K30 F80 A83 V84 E87 F92 L93	L26-L89 HydrophobicContact CD2-CD2 4.26Å; K30-L89 HydrophobicContact CD-CD2 4.11Å; K30-L89 HydrophobicContact CG-CD2 4.46Å; F80-L89 HydrophobicContact CD2-CD1 3.63Å; F80-L89 HydrophobicContact CE2-CD1 3.47Å; F80-L89 VanDerWaalsContact CE2-CD1 3.47Å; F80-L89 HydrophobicContact CE2-CD2 4.3Å; F80-L89 HydrophobicContact CG-CD1 4.46Å; F80-L89 HydrophobicContact CZ-CD1 4.16Å; F80-L89 HydrophobicContact CZ-CD2 4.34Å; A83-L89 PolarHBondContact O-N 2.99Å; V84-L89 HydrophobicContact CG2-CB 4.44Å; V84-L89 HydrophobicContact CG2-CD1 4.21Å; V84-L89 HydrophobicContact CG2-CD2 4.06Å; V84-L89 HydrophobicContact CG2-CG 4.46Å; E87-L89 VanDerWaalsContact C-N 3.3Å; E87-L89 PolarHBondContact O-N 3.2Å; L89-F92 HydrophobicContact CD1-CD1 4.06Å; L89-F92 PolarHBondContact O-N 2.93Å; L89-L93 HydrophobicContact CD1-CD1 3.93Å; L89-L93 HydrophobicContact CD1-CD2 4.43Å; L89-L93 HydrophobicContact CD1-CG 3.88Å; L89-L93 HydrophobicContact CD2-CD1 4.35Å; L89-L93 HydrophobicContact CG-CD1 3.87Å; L89-L93 HydrophobicContact CG-CG 4.21Å; L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 VanDerWaalsContact O-CG 3.25Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 2.65Å
90	E	90.4	Very high	84.6	Confident	41 Å²	41	76.4 Å²	76.4	19%	0.192	40%	0.402	C	S	.	.	H	α-helix	trans	-74.6	-27.6	179.5	-55.4	-157	-166.6	0	0	113.1	K30 E88 K94 L95 E98	K30-E90 IonicContact NZ-OE1 2.74Å; K30-E90 PolarHBondContact NZ-OE1 2.87Å; E88-E90 PolarHBondContact O-N 3.34Å; E90-K94 PolarHBondContact O-N 2.77Å; E90-L95 HydrophobicContact CB-CB 4.5Å; E90-L95 HydrophobicContact CB-CD1 4.5Å; E90-L95 HydrophobicContact CG-CD1 4.33Å; E90-L95 PolarHBondContact O-N 3.44Å; E90-E98 HydrophobicContact CB-CB 4.43Å
91	S	91.3	Very high	82.9	Confident	84 Å²	84	83.8 Å²	83.8	59%	0.587	43%	0.434	S	S	*	.	H	α-helix	trans	-68.4	-47.5	168.6	-175.1	0	0	0	0	110.7	E88 L93 K94	E88-S91 WeakPolarHBondContact O-CA 3.4Å; E88-S91 VanDerWaalsContact O-CB 3.23Å; E88-S91 WeakPolarHBondContact O-CB 3.46Å; E88-S91 PolarHBondContact O-N 3.01Å; S91-L93 PolarHBondContact O-N 2.79Å; S91-K94 WeakPolarHBondContact O-CA 3.27Å; S91-K94 PolarHBondContact O-N 2.74Å
92	F	92.8	Very high	81	Confident	34 Å²	34	83.1 Å²	83.1	15%	0.149	44%	0.441	C	S	.	.	H	α-helix	trans	-58.4	-45.5	175.6	171.8	-90.3	0	0	0	112.2	I67 L74 E79 F80 A83 E88 L89 K94	I67-F92 HydrophobicContact CD1-CE1 4.08Å; L74-F92 HydrophobicContact CB-CE1 4.16Å; L74-F92 HydrophobicContact CB-CE2 4.26Å; L74-F92 HydrophobicContact CB-CZ 3.87Å; L74-F92 WeakPolarHBondContact CD1-O 3.45Å; E79-F92 HydrophobicContact CB-CE2 3.87Å; F80-F92 HydrophobicContact CB-CE1 4.15Å; F80-F92 HydrophobicContact CB-CZ 4.17Å; F80-F92 HydrophobicContact CD2-CD1 4.38Å; F80-F92 AromaticContact CD2-CE1 3.94Å; F80-F92 HydrophobicContact CD2-CE1 3.94Å; A83-F92 HydrophobicContact CB-CB 3.53Å; A83-F92 HydrophobicContact CB-CD1 4.44Å; A83-F92 HydrophobicContact CB-CD2 4.06Å; A83-F92 HydrophobicContact CB-CG 3.77Å; E88-F92 PolarHBondContact O-N 2.91Å; L89-F92 HydrophobicContact CD1-CD1 4.06Å; L89-F92 PolarHBondContact O-N 2.93Å; F92-K94 PolarHBondContact O-N 3.34Å
93	L	91.4	Very high	79.1	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.1	176.3	-63.2	179.3	0	0	0	113.8	L3 L27 V32 I67 L74 L89 S91 L95	L3-L93 HydrophobicContact CD1-CD2 3.81Å; L3-L93 HydrophobicContact CD2-CD1 4.37Å; L3-L93 HydrophobicContact CD2-CD2 3.78Å; L3-L93 HydrophobicContact CG-CD2 4.46Å; L27-L93 HydrophobicContact CD2-CD1 3.63Å; L27-L93 HydrophobicContact CD2-CD2 4.42Å; V32-L93 HydrophobicContact CG1-CD1 4.47Å; V32-L93 HydrophobicContact CG2-CD1 4.29Å; I67-L93 HydrophobicContact CG2-CD2 4.14Å; L74-L93 HydrophobicContact CD1-CD2 4.34Å; L89-L93 HydrophobicContact CD1-CD1 3.93Å; L89-L93 HydrophobicContact CD1-CD2 4.43Å; L89-L93 HydrophobicContact CD1-CG 3.88Å; L89-L93 HydrophobicContact CD2-CD1 4.35Å; L89-L93 HydrophobicContact CG-CD1 3.87Å; L89-L93 HydrophobicContact CG-CG 4.21Å; L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 VanDerWaalsContact O-CG 3.25Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 2.65Å; S91-L93 PolarHBondContact O-N 2.79Å; L93-L95 HydrophobicContact CB-CD1 4.13Å; L93-L95 HydrophobicContact CB-CD2 4.4Å; L93-L95 HydrophobicContact CB-CG 3.81Å; L93-L95 HydrophobicContact CD1-CD1 4.18Å; L93-L95 PolarHBondContact O-N 2.79Å
94	K	88.6	Confident	77.5	Confident	90 Å²	90	89.9 Å²	89.9	39%	0.391	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	37.8	-177.3	-60.8	167.1	178	157.2	0	113.3	L69 E72 L74 E90 S91 F92	L69-K94 HydrophobicContact CD2-CB 3.9Å; L69-K94 HydrophobicContact CD2-CD 4.17Å; E72-K94 IonicContact OE1-NZ 2.75Å; E72-K94 PolarHBondContact OE1-NZ 3.11Å; E72-K94 IonicContact OE2-NZ 2.65Å; E72-K94 PolarHBondContact OE2-NZ 2.79Å; L74-K94 HydrophobicContact CD2-CD 4Å; E90-K94 PolarHBondContact O-N 2.77Å; S91-K94 WeakPolarHBondContact O-CA 3.27Å; S91-K94 PolarHBondContact O-N 2.74Å; F92-K94 PolarHBondContact O-N 3.34Å
95	L	83.9	Confident	75.8	Confident	51 Å²	51	91.3 Å²	91.3	27%	0.267	50%	0.496	S	S	.	.			trans	-73.2	139.4	179.3	-61.4	175.8	0	0	0	109.8	V32 E90 L93 G97	V32-L95 HydrophobicContact CG1-CD1 4.12Å; V32-L95 HydrophobicContact CG1-CD2 4.12Å; V32-L95 HydrophobicContact CG2-CD1 3.77Å; E90-L95 HydrophobicContact CB-CB 4.5Å; E90-L95 HydrophobicContact CB-CD1 4.5Å; E90-L95 HydrophobicContact CG-CD1 4.33Å; E90-L95 PolarHBondContact O-N 3.44Å; L93-L95 HydrophobicContact CB-CD1 4.13Å; L93-L95 HydrophobicContact CB-CD2 4.4Å; L93-L95 HydrophobicContact CB-CG 3.81Å; L93-L95 HydrophobicContact CD1-CD1 4.18Å; L93-L95 PolarHBondContact O-N 2.79Å; L95-G97 PolarHBondContact O-N 2.66Å
96	P	71.4	Confident	74	Confident	128 Å²	128	92.3 Å²	92.3	83%	0.831	51%	0.505	S	S	*	.	S	Bend	trans	-75.5	19.5	-177.6	32.7	-37.3	0	0	0	113.9
97	G	64	Low	72.4	Confident	60 Å²	60	93.3 Å²	93.3	62%	0.619	51%	0.509	S	S	*	.	S	Bend	trans	-91.9	-63.5	-170.6	0	0	0	0	0	114.1	L95	L95-G97 PolarHBondContact O-N 2.66Å
98	E	55.7	Low	70.7	Confident	83 Å²	83	87 Å²	87	39%	0.388	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-99.8	116.9	-167.4	-69.2	-159.2	125.2	0	0	114.4	E90 K101	E90-E98 HydrophobicContact CB-CB 4.43Å; E98-K101 IonicContact OE1-NZ 2.67Å; E98-K101 PolarHBondContact OE1-NZ 3.07Å
99	K	56.1	Low	68.4	Low	182 Å²	182	87.2 Å²	87.2	79%	0.791	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-66.6	140.7	137.3	-60	-178	-173.8	67.2	0	106.4	K101	K99-K101 PolarHBondContact O-N 3.23Å
100	P	55.5	Low	66	Low	115 Å²	115	92.8 Å²	92.8	75%	0.747	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-55	134.6	172.5	24.3	-33.8	0	0	0	109.2	S102	P100-S102 PolarHBondContact O-N 2.87Å
101	K	57.4	Low	63.6	Low	155 Å²	155	94.6 Å²	94.6	67%	0.674	57%	0.566	S	S	*	*			trans	-67.9	82.8	175	-61.5	-173.4	-171.7	76.7	0	108.2	E98 K99 F103	E98-K101 IonicContact OE1-NZ 2.67Å; E98-K101 PolarHBondContact OE1-NZ 3.07Å; K99-K101 PolarHBondContact O-N 3.23Å; K101-F103 PolarHBondContact O-N 2.65Å
102	S	54.4	Low	60.9	Low	66 Å²	66	96 Å²	96	46%	0.462	58%	0.576	S	S	.	*			trans	-55	143.5	-175.6	73	0	0	0	0	109.6	P100 S104 A105 L106	P100-S102 PolarHBondContact O-N 2.87Å; S102-S104 PolarHBondContact O-N 2.75Å; S102-A105 WeakPolarHBondContact O-CB 3.26Å; S102-A105 PolarHBondContact O-N 3.36Å; S102-L106 PolarHBondContact O-N 3.4Å
103	F	57	Low	58.2	Low	153 Å²	153	103.6 Å²	103.6	67%	0.671	61%	0.612	S	S	*	*	H	α-helix	trans	-55	-28.7	-177.2	-172.9	-108	0	0	0	112.5	K101 L106 M107	K101-F103 PolarHBondContact O-N 2.65Å; F103-L106 PolarHBondContact O-N 3.34Å; F103-M107 HydrophobicContact CD1-CG 4.02Å; F103-M107 HydrophobicContact CD2-CG 4.25Å; F103-M107 HydrophobicContact CE1-CE 4.29Å; F103-M107 HydrophobicContact CE1-CG 3.64Å; F103-M107 HydrophobicContact CE1-SD 4.37Å; F103-M107 HydrophobicContact CE2-CG 3.89Å; F103-M107 HydrophobicContact CE2-SD 4.27Å; F103-M107 HydrophobicContact CG-CG 4.31Å; F103-M107 HydrophobicContact CZ-CE 4.08Å; F103-M107 HydrophobicContact CZ-CG 3.57Å; F103-M107 HydrophobicContact CZ-SD 3.84Å; F103-M107 WeakPolarHBondContact O-CB 3.4Å; F103-M107 WeakPolarHBondContact O-CG 3.44Å; F103-M107 PolarHBondContact O-N 2.89Å
104	S	59.6	Low	55.6	Low	95 Å²	95	107.6 Å²	107.6	66%	0.664	65%	0.645	S	S	*	*	H	α-helix	trans	-58.2	-41.9	170.7	-170.4	0	0	0	0	113.7	S102 G108	S102-S104 PolarHBondContact O-N 2.75Å; S104-G108 WeakPolarHBondContact O-CA 3.42Å; S104-G108 PolarHBondContact O-N 3.29Å
105	A	58.5	Low	53	Low	68 Å²	68	112.4 Å²	112.4	56%	0.562	67%	0.669	S	S	*	*	H	α-helix	trans	-71.6	-35.3	177.8	0	0	0	0	0	112.4	S102	S102-A105 WeakPolarHBondContact O-CB 3.26Å; S102-A105 PolarHBondContact O-N 3.36Å
106	L	56.2	Low	50.8	Low	132 Å²	132	115.4 Å²	115.4	69%	0.691	69%	0.694	S	S	*	*	H	α-helix	trans	-74.6	-30.5	178.9	-165.5	70.3	0	0	0	112.8	S102 F103	S102-L106 PolarHBondContact O-N 3.4Å; F103-L106 PolarHBondContact O-N 3.34Å
107	M	61.6	Low	49.1	Very low	134 Å²	134	118.3 Å²	118.3	66%	0.66	70%	0.696	S	S	*	*	H	α-helix	trans	-95.6	-6.1	179	-66.2	-77.4	-75	0	0	113.6	F103	F103-M107 HydrophobicContact CD1-CG 4.02Å; F103-M107 HydrophobicContact CD2-CG 4.25Å; F103-M107 HydrophobicContact CE1-CE 4.29Å; F103-M107 HydrophobicContact CE1-CG 3.64Å; F103-M107 HydrophobicContact CE1-SD 4.37Å; F103-M107 HydrophobicContact CE2-CG 3.89Å; F103-M107 HydrophobicContact CE2-SD 4.27Å; F103-M107 HydrophobicContact CG-CG 4.31Å; F103-M107 HydrophobicContact CZ-CE 4.08Å; F103-M107 HydrophobicContact CZ-CG 3.57Å; F103-M107 HydrophobicContact CZ-SD 3.84Å; F103-M107 WeakPolarHBondContact O-CB 3.4Å; F103-M107 WeakPolarHBondContact O-CG 3.44Å; F103-M107 PolarHBondContact O-N 2.89Å
108	G	55.2	Low	47.8	Very low	42 Å²	42	124.7 Å²	124.7	43%	0.433	71%	0.71	S	S	.	*	H	α-helix	trans	-90.4	-21.9	-166.9	0	0	0	0	0	116.4	S104 S110	S104-G108 WeakPolarHBondContact O-CA 3.42Å; S104-G108 PolarHBondContact O-N 3.29Å; G108-S110 PolarHBondContact O-N 3.38Å
109	S	45.1	Very low	47	Very low	114 Å²	114	130.1 Å²	130.1	80%	0.797	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	55.6	-171.5	66.5	0	0	0	0	113.9
110	S	38.8	Very low	46.1	Very low	122 Å²	122	128.9 Å²	128.9	85%	0.853	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150	31.4	170.5	-154.3	0	0	0	0	112.4	G108	G108-S110 PolarHBondContact O-N 3.38Å
111	A	40.1	Very low	45.3	Very low	78 Å²	78	131.6 Å²	131.6	65%	0.645	74%	0.741	S	S	*	*	S	Bend	trans	-152.4	137.7	170.7	0	0	0	0	0	110.7
112	S	35.3	Very low	44.6	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	74%	0.738	S	S	*	*			trans	45.5	104.5	164.8	53.8	0	0	0	0	118.9
113	E	36.3	Very low	43.9	Very low	192 Å²	192	134 Å²	134	90%	0.897	75%	0.748	S	S	*	*			trans	-67.4	179.8	136.1	-60.7	-178.9	125.2	0	0	110.6
114	A	36.5	Very low	43	Very low	85 Å²	85	131.1 Å²	131.1	70%	0.702	75%	0.753	S	S	*	*			trans	73.3	120.8	-166.5	0	0	0	0	0	113.2
115	E	35	Very low	42	Very low	191 Å²	191	134 Å²	134	89%	0.893	75%	0.753	S	S	*	*			cis	76.3	88.2	46.4	-60.7	-170.1	179.8	0	0	113.6
116	S	36.4	Very low	40.8	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	76%	0.759	S	S	*	*			trans	179.3	127.7	160.1	10.1	0	0	0	0	104.3
117	E	36.1	Very low	39.9	Very low	189 Å²	189	136.9 Å²	136.9	88%	0.883	76%	0.764	S	S	*	*			cis	61.5	112	21.4	-63.1	-158	166.2	0	0	115.2
118	E	37.6	Very low	38.7	Very low	195 Å²	195	135 Å²	135	91%	0.911	76%	0.764	S	S	*	*			trans	62	106.2	169.3	-52.6	-159.5	152.8	0	0	119.1
119	E	37.8	Very low	37.8	Very low	196 Å²	196	139.1 Å²	139.1	92%	0.916	78%	0.78	S	S	*	*			trans	-72.8	123.2	154.1	-60.6	176.2	123.7	0	0	109.3
120	D	37.5	Very low	37.4	Very low	157 Å²	157	139.8 Å²	139.8	84%	0.84	78%	0.775	S	S	*	*				-167.6	168.5	122.7	-125.1	-42.3	0	0	0	113.1
121	E	39.7	Very low	37.4	Very low	172 Å²	172	142.5 Å²	142.5	80%	0.804	77%	0.774	S	S	*	*			trans	-70	155.8	-168.8	-49.4	-177.1	117.1	0	0	114.4
122	D	41.1	Very low	37.5	Very low	117 Å²	117	146.6 Å²	146.6	63%	0.626	79%	0.786	S	S	*	*			cis	179.8	139.6	50	-168.8	21.2	0	0	0	114.1
123	K	41	Very low	38.1	Very low	155 Å²	155	150 Å²	150	67%	0.674	79%	0.786	S	S	*	*			trans	54.2	105.6	143.4	-177.6	-173.5	-68.5	80.8	0	123.9
124	A	37.8	Very low	38.4	Very low	92 Å²	92	145.6 Å²	145.6	76%	0.76	77%	0.774	S	S	*	*				62.6	159.2	126.8	0	0	0	0	0	120.8
125	K	37.5	Very low	38.6	Very low	155 Å²	155	149 Å²	149	67%	0.674	78%	0.78	S	S	*	*			cis	-159.4	151.9	13.5	-153.4	-176.3	-165.5	-70.7	0	110.5
126	E	34.8	Very low	39	Very low	146 Å²	146	146.8 Å²	146.8	68%	0.682	77%	0.773	S	S	*	*			trans	24.8	118.4	152.2	-72.9	151.8	-145.4	0	0	119.4
127	S	37.5	Very low	39.4	Very low	114 Å²	114	146.2 Å²	146.2	80%	0.797	77%	0.766	S	S	*	*				140.2	160.1	86.9	51.5	0	0	0	0	108.2
128	S	36.3	Very low	39.6	Very low	96 Å²	96	145.5 Å²	145.5	67%	0.671	76%	0.761	S	S	*	*			cis	-179.3	160.6	-16.9	55.2	0	0	0	0	108.5
129	V	35	Very low	39.9	Very low	127 Å²	127	144.4 Å²	144.4	77%	0.77	76%	0.755	S	S	*	*			trans	68.8	138.2	159.5	172.7	0	0	0	0	115.4
130	D	37.9	Very low	40	Very low	128 Å²	128	144 Å²	144	68%	0.684	75%	0.754	S	S	*	*			cis	-161.9	179.3	-20.9	-115.6	-60.6	0	0	0	110.1
131	E	38.6	Very low	40.2	Very low	179 Å²	179	146.5 Å²	146.5	84%	0.836	76%	0.76	S	S	*	*			trans	17.4	124.1	157.3	-58.3	-171.4	118.8	0	0	121
132	D	41.3	Very low	40	Very low	165 Å²	165	144 Å²	144	88%	0.882	75%	0.752	S	S	*	*				-157.6	171.5	100.6	-140.1	-39.7	0	0	0	111.7
133	K	48.8	Very low	40.1	Very low	187 Å²	187	144.1 Å²	144.1	81%	0.813	76%	0.762	S	S	*	*			trans	-117.9	-166.4	-164.7	-135.1	-160.8	160.1	-176.5	0	112.6
134	P	41.6	Very low	39.9	Very low	98 Å²	98	144.4 Å²	144.4	64%	0.636	77%	0.766	S	S	*	*			trans	-118.6	179.9	-132.8	41.2	-22.8	0	0	0	114.8
135	D	41.4	Very low	40	Very low	157 Å²	157	144.4 Å²	144.4	84%	0.84	77%	0.766	S	S	*	*			trans	-143.6	165.3	155.5	-139.4	-32.8	0	0	0	112
136	I	43.3	Very low	39.9	Very low	145 Å²	145	141.3 Å²	141.3	74%	0.744	77%	0.769	S	S	*	*			trans	-142.6	-166.8	-165.7	-2.8	176.7	0	0	0	108.3
137	P	44.2	Very low	40.2	Very low	100 Å²	100	143.5 Å²	143.5	65%	0.649	78%	0.779	S	S	*	*			cis	-131.2	-159.1	-24.4	29.7	-6	0	0	0	113.2
138	K	41	Very low	40.3	Very low	175 Å²	175	147.4 Å²	147.4	76%	0.761	79%	0.785	S	S	*	*			trans	89.2	151.8	162.7	-47.6	-179.3	178.8	-174	0	116.4
139	E	43.8	Very low	40.3	Very low	172 Å²	172	151.4 Å²	151.4	80%	0.804	79%	0.793	S	S	*	*			cis	-121.7	135.6	1.8	-65.8	172.3	158.3	0	0	108
140	E	39.4	Very low	40.2	Very low	188 Å²	188	154 Å²	154	88%	0.879	80%	0.797	S	S	*	*				58.7	88.4	73	-80	-164.9	138.1	0	0	116.4
141	E	41.8	Very low	40.2	Very low	209 Å²	209	154 Å²	154	98%	0.977	80%	0.797	S	S	*	*			trans	-139.7	159.9	138.7	-148.4	179.7	166.8	0	0	109.6
142	N	36.1	Very low	40.2	Very low	119 Å²	119	155.9 Å²	155.9	64%	0.636	80%	0.802	S	S	*	*			trans	-125.3	139.9	-154.6	176.4	44.8	0	0	0	114.6	E144	N142-E144 PolarHBondContact ND2-OE2 2.96Å
143	S	42.8	Very low	39.7	Very low	119 Å²	119	150.5 Å²	150.5	83%	0.832	79%	0.786	S	S	*	*			trans	-157.6	139.5	144.2	24.2	0	0	0	0	111.5
144	E	37.7	Very low	39.1	Very low	162 Å²	162	150.1 Å²	150.1	76%	0.757	79%	0.787	S	S	*	*			trans	-87.4	160.8	-163.3	-73	148.2	63.5	0	0	115.7	N142	N142-E144 PolarHBondContact ND2-OE2 2.96Å
145	A	39.3	Very low	38.9	Very low	92 Å²	92	154.7 Å²	154.7	76%	0.76	80%	0.797	S	S	*	*			trans	68	124	147	0	0	0	0	0	117.8
146	A	35.7	Very low	38.8	Very low	90 Å²	90	156.5 Å²	156.5	74%	0.744	80%	0.8	S	S	*	*			cis	60.3	137.7	21.5	0	0	0	0	0	115.1
147	E	39.7	Very low	38.6	Very low	191 Å²	191	159.3 Å²	159.3	89%	0.893	81%	0.807	S	S	*	*			cis	-99.6	-159.4	-3.9	-64.8	175	92.4	0	0	108.1
148	E	41.3	Very low	38.1	Very low	197 Å²	197	160.2 Å²	160.2	92%	0.921	81%	0.811	S	S	*	*			cis	-137	169.5	12.2	-63.8	173.2	100.6	0	0	110.5
149	E	35.5	Very low	38	Very low	180 Å²	180	158.7 Å²	158.7	84%	0.841	81%	0.81	S	S	*	*			trans	-98	175.7	-177.9	-96.3	-76.8	168.6	0	0	113.7
150	E	33	Very low	38	Very low	181 Å²	181	157.1 Å²	157.1	85%	0.846	80%	0.803	S	S	*	*			trans	105.5	147.9	156.7	-58.1	-154.4	132	0	0	122.9
151	D	38.3	Very low	37.9	Very low	128 Å²	128	157.4 Å²	157.4	68%	0.684	80%	0.801	S	S	*	*			trans	43.7	96.3	168.7	-164.4	25.6	0	0	0	121.3	G153	D151-G153 PolarHBondContact OD1-N 3.46Å
152	K	38.7	Very low	37.6	Very low	219 Å²	219	152.8 Å²	152.8	95%	0.952	79%	0.792	S	S	*	*			trans	-129.9	47.4	144	-68.4	-177.7	-178.3	163.4	0	111
153	G	31	Very low	37.9	Very low	52 Å²	52	155.7 Å²	155.7	54%	0.536	80%	0.799	S	S	.	*			trans	-119.2	10.5	-162.7	0	0	0	0	0	117.3	D151	D151-G153 PolarHBondContact OD1-N 3.46Å
154	Q	36.1	Very low	37.7	Very low	179 Å²	179	158.8 Å²	158.8	84%	0.836	80%	0.8	S	S	*	*			trans	-163.4	106.4	172.6	-107.8	142.8	95.9	0	0	113.2
155	K	36.3	Very low	37.6	Very low	194 Å²	194	158.9 Å²	158.9	84%	0.843	80%	0.801	S	S	*	*			trans	-151.1	16.6	169.7	-127.7	160.6	-170	163.3	0	118
156	E	39.4	Very low	37.6	Very low	194 Å²	194	162 Å²	162	91%	0.907	80%	0.797	S	S	*	*	S	Bend	trans	-122.2	32.3	-178	-62.9	-174.6	137.2	0	0	113.2
157	K	39.7	Very low	37.6	Very low	204 Å²	204	164.7 Å²	164.7	89%	0.887	80%	0.804	S	S	*	*	S	Bend	trans	-134.1	18.4	177.1	-68.3	-164.7	173.8	-175.9	0	115.6
158	T	33.8	Very low	37.6	Very low	119 Å²	119	161.7 Å²	161.7	73%	0.73	79%	0.794	S	S	*	*	S	Bend	trans	-113.7	-0.4	-177.4	31	0	0	0	0	115.3
159	L	39.3	Very low	37.4	Very low	143 Å²	143	161.5 Å²	161.5	75%	0.749	79%	0.793	S	S	*	*	S	Bend	trans	-81.1	-39.1	176.7	-158.9	70.7	0	0	0	112.5	K161	L159-K161 VanDerWaalsContact C-N 3.26Å; L159-K161 PolarHBondContact O-N 3.5Å
160	H	42.5	Very low	37.7	Very low	139 Å²	139	159.6 Å²	159.6	64%	0.644	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	18.3	-169.8	-101.7	-83.7	0	0	0	116.5
161	K	37.7	Very low	38	Very low	195 Å²	195	161.1 Å²	161.1	85%	0.848	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.2	28.9	-174.3	-151.4	161.2	-175.2	165.7	0	116.3	L159	L159-K161 VanDerWaalsContact C-N 3.26Å; L159-K161 PolarHBondContact O-N 3.5Å
162	S	36.6	Very low	38	Very low	111 Å²	111	157.2 Å²	157.2	78%	0.776	79%	0.786	S	S	*	*	S	Bend	trans	-137.2	18.7	178	-167.1	0	0	0	0	114.3
163	F	42.5	Very low	37.9	Very low	181 Å²	181	154 Å²	154	79%	0.794	78%	0.779	S	S	*	*	S	Bend	trans	-128.5	-0.4	179.5	-145.3	-105.3	0	0	0	114.6
164	E	37	Very low	38.2	Very low	184 Å²	184	156.8 Å²	156.8	86%	0.86	79%	0.791	S	S	*	*			trans	-100.7	57.3	174.5	-68.1	-173.1	99.1	0	0	112
165	E	35.4	Very low	38.3	Very low	163 Å²	163	153.5 Å²	153.5	76%	0.762	78%	0.783	S	S	*	*	S	Bend	trans	-146.7	138	161.4	-146.5	-172.7	110.2	0	0	110.1
166	K	40.8	Very low	38.6	Very low	158 Å²	158	151.4 Å²	151.4	69%	0.687	78%	0.776	S	S	*	*			trans	70.2	58.4	178.9	-52.7	-178.4	-176.1	173.6	0	116.4	D168	K166-D168 PolarHBondContact O-N 3.3Å
167	V	36.2	Very low	38.7	Very low	147 Å²	147	149.9 Å²	149.9	89%	0.891	77%	0.768	S	S	*	*			trans	-78.7	79.4	133.4	-177	0	0	0	0	107
168	D	38.4	Very low	38.8	Very low	127 Å²	127	146.2 Å²	146.2	68%	0.679	76%	0.755	S	S	*	*			trans	-77	129.6	170.4	-99.3	-74	0	0	0	109.2	K166 N170	K166-D168 PolarHBondContact O-N 3.3Å; D168-N170 PolarHBondContact O-N 3.47Å
169	E	37.3	Very low	39.3	Very low	194 Å²	194	151.5 Å²	151.5	91%	0.907	76%	0.761	S	S	*	*			trans	-72	121.2	-179.2	-61.7	177.8	126	0	0	110.5
170	N	41.1	Very low	39.4	Very low	140 Å²	140	153 Å²	153	75%	0.749	76%	0.762	S	S	*	*			trans	-145	61.8	171.2	-160.6	9.5	0	0	0	112.6	D168 G172	D168-N170 PolarHBondContact O-N 3.47Å; N170-G172 PolarHBondContact O-N 3Å; N170-G172 VanDerWaalsContact O-N 3.07Å; N170-G172 WeakPolarHBondContact OD1-CA 3.04Å
171	E	40	Very low	39.2	Very low	213 Å²	213	152.9 Å²	152.9	100%	0.995	77%	0.771	S	S	*	*			trans	-70.3	84.9	150	-71.4	-158.4	123.5	0	0	108
172	G	37.7	Very low	39.4	Very low	46 Å²	46	148.8 Å²	148.8	47%	0.474	77%	0.767	S	S	.	*			trans	-141.6	99	-165.5	0	0	0	0	0	115.2	N170	N170-G172 PolarHBondContact O-N 3Å; N170-G172 VanDerWaalsContact O-N 3.07Å; N170-G172 WeakPolarHBondContact OD1-CA 3.04Å
173	D	36.7	Very low	39.7	Very low	150 Å²	150	151 Å²	151	80%	0.802	77%	0.77	S	S	*	*			trans	67.2	145.8	155.5	-159	36.9	0	0	0	120.3
174	S	38.6	Very low	39.8	Very low	112 Å²	112	152.2 Å²	152.2	78%	0.783	78%	0.778	S	S	*	*			trans	-105.6	129.2	173.5	-63.9	0	0	0	0	109.6
175	T	37.5	Very low	40.1	Very low	110 Å²	110	151.2 Å²	151.2	68%	0.675	78%	0.779	S	S	*	*			trans	-127.9	104.6	167.8	-51.1	0	0	0	0	112.2	H177	T175-H177 PolarHBondContact O-N 3Å
176	E	42	Very low	40.4	Very low	149 Å²	149	148.5 Å²	148.5	70%	0.696	78%	0.778	S	S	*	*			trans	-67.1	115.1	174	-174.1	-172.1	134.8	0	0	111.1	Q178	E176-Q178 VanDerWaalsContact C-N 3.34Å; E176-Q178 HydrophobicContact CG-CG 4.29Å; E176-Q178 PolarHBondContact O-N 2.79Å; E176-Q178 WeakPolarHBondContact OE1-CG 3.37Å; E176-Q178 PolarHBondContact OE1-NE2 3.2Å
177	H	42.4	Very low	40.3	Very low	162 Å²	162	144.5 Å²	144.5	75%	0.75	78%	0.781	S	S	*	*			trans	-83.3	70.4	179.5	-104.4	23	0	0	0	112.9	T175 R179	T175-H177 PolarHBondContact O-N 3Å; H177-R179 PolarHBondContact O-N 3.13Å
178	Q	41.9	Very low	40.4	Very low	128 Å²	128	144.5 Å²	144.5	60%	0.598	78%	0.776	S	S	*	*			trans	-66.4	112.5	164	-68.1	-166.9	14.1	0	0	110.6	E176	E176-Q178 VanDerWaalsContact C-N 3.34Å; E176-Q178 HydrophobicContact CG-CG 4.29Å; E176-Q178 PolarHBondContact O-N 2.79Å; E176-Q178 WeakPolarHBondContact OE1-CG 3.37Å; E176-Q178 PolarHBondContact OE1-NE2 3.2Å
179	R	43.1	Very low	40.6	Very low	229 Å²	229	146.7 Å²	146.7	86%	0.864	78%	0.782	S	S	*	*			trans	-94	99.1	164.5	-73.9	-172.4	174.8	-178.9	-0.2	110.1	H177	H177-R179 PolarHBondContact O-N 3.13Å
180	K	42.4	Very low	40.9	Very low	176 Å²	176	146.5 Å²	146.5	77%	0.765	78%	0.782	S	S	*	*			trans	-89.4	109.4	169.4	-74.4	-175.8	177.2	-179.5	0	111.4
181	T	38	Very low	41	Very low	135 Å²	135	148.8 Å²	148.8	83%	0.828	79%	0.788	S	S	*	*			trans	-170.4	134	152	42.1	0	0	0	0	106.8
182	S	42	Very low	41.1	Very low	109 Å²	109	147.4 Å²	147.4	76%	0.762	78%	0.781	S	S	*	*			cis	-159.1	160.3	-5.5	43.3	0	0	0	0	109.1
183	D	43.4	Very low	41.3	Very low	159 Å²	159	154 Å²	154	85%	0.85	80%	0.797	S	S	*	*			trans	-62.9	133.1	-178.7	-43.1	-114.1	0	0	0	112.7
184	E	44.4	Very low	41.6	Very low	206 Å²	206	153.4 Å²	153.4	96%	0.963	79%	0.792	S	S	*	*			trans	-144.7	159.2	139.6	-78.7	-147.1	113.6	0	0	109.1
185	D	43.1	Very low	41.9	Very low	163 Å²	163	154 Å²	154	87%	0.872	79%	0.787	S	S	*	*			trans	-107.7	-179	-158.5	-175.4	29	0	0	0	113.3
186	S	42.2	Very low	42	Very low	106 Å²	106	154.8 Å²	154.8	74%	0.741	79%	0.794	S	S	*	*			trans	78.5	95.7	169.9	-166.6	0	0	0	0	116.4
187	G	38.1	Very low	41.9	Very low	74 Å²	74	154.7 Å²	154.7	76%	0.763	80%	0.797	S	S	*	*			trans	-81.1	163.8	158.9	0	0	0	0	0	112.7
188	N	39.2	Very low	41.6	Very low	146 Å²	146	152 Å²	152	78%	0.781	80%	0.796	S	S	*	*			trans	-145.1	149.7	149.4	-170	48	0	0	0	109.5
189	E	41.7	Very low	41.8	Very low	174 Å²	174	150.2 Å²	150.2	81%	0.813	80%	0.804	S	S	*	*			trans	-88.9	136.8	169.9	-58.7	176	166.3	0	0	109
190	E	43.8	Very low	42.1	Very low	190 Å²	190	148.7 Å²	148.7	89%	0.888	80%	0.803	S	S	*	*			trans	-170.8	153.1	145.3	-109.9	159.7	-158.5	0	0	111.7
191	E	42.1	Very low	42.2	Very low	187 Å²	187	147.5 Å²	147.5	87%	0.874	81%	0.805	S	S	*	*			trans	-86.8	144.2	176.6	-53.4	-179.4	109.1	0	0	110.9
192	E	42.5	Very low	42.8	Very low	185 Å²	185	148 Å²	148	86%	0.864	81%	0.808	S	S	*	*			trans	-154.2	155.4	133	-125.3	-171.7	163.6	0	0	114.2
193	K	41.4	Very low	42.8	Very low	185 Å²	185	152.2 Å²	152.2	80%	0.804	82%	0.816	S	S	*	*			trans	-98.4	151.1	170.4	-52.3	160	-175.9	164	0	107.8
194	I	43.6	Very low	42.7	Very low	136 Å²	136	148.3 Å²	148.3	70%	0.697	81%	0.813	S	S	*	*			trans	-174.5	136.5	130.1	34.5	-152.6	0	0	0	115.7
195	N	44.7	Very low	42.7	Very low	126 Å²	126	146.6 Å²	146.6	67%	0.674	81%	0.805	S	S	*	*			trans	59.9	119.3	139.4	-56.9	-15	0	0	0	123
196	P	40.1	Very low	42.8	Very low	126 Å²	126	142.5 Å²	142.5	82%	0.818	79%	0.794	S	S	*	*			trans	-101	126.8	147.2	34.6	-26	0	0	0	112.2
197	L	40.3	Very low	42.8	Very low	147 Å²	147	147.4 Å²	147.4	77%	0.77	80%	0.796	S	S	*	*			trans	-146.2	123.7	173.2	-68.2	170.9	0	0	0	107.6
198	S	35.5	Very low	42.9	Very low	104 Å²	104	151.2 Å²	151.2	73%	0.727	80%	0.798	S	S	*	*			cis	91.4	87.9	43.6	79.6	0	0	0	0	114.7
199	A	46.8	Very low	43.3	Very low	92 Å²	92	148.5 Å²	148.5	76%	0.76	79%	0.79	S	S	*	*			trans	-170.1	149.1	161.7	0	0	0	0	0	109.4
200	K	47.9	Very low	43.6	Very low	196 Å²	196	148.2 Å²	148.2	85%	0.852	79%	0.786	S	S	*	*			cis	-159.3	163.8	-11.7	-115.7	175.8	-175.1	179.5	0	109.3
201	D	45.3	Very low	43.8	Very low	152 Å²	152	144.9 Å²	144.9	81%	0.813	78%	0.775	S	S	*	*			trans	-66.5	154.4	179.8	-38.9	-106.9	0	0	0	114
202	V	50.1	Low	43.9	Very low	144 Å²	144	140.9 Å²	140.9	87%	0.873	77%	0.767	S	S	*	*			trans	-167.8	130	136.2	136.2	0	0	0	0	109.6
203	E	43.3	Very low	44.1	Very low	199 Å²	199	139 Å²	139	93%	0.93	76%	0.763	S	S	*	*			trans	-95	160	169.6	-56.7	-180	110.7	0	0	110.4
204	G	41.4	Very low	44.3	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	77%	0.765	S	S	*	*			trans	163.1	98.4	166.8	0	0	0	0	0	118.6
205	E	44.3	Very low	44.4	Very low	170 Å²	170	137.7 Å²	137.7	79%	0.794	77%	0.77	S	S	*	*			trans	10.3	108	151.8	-69.1	-134	80	0	0	122.4
206	A	43.8	Very low	44.4	Very low	77 Å²	77	136.4 Å²	136.4	64%	0.636	77%	0.771	S	S	*	*				69.9	141	101.2	0	0	0	0	0	124.5
207	R	42.6	Very low	44.8	Very low	208 Å²	208	139.2 Å²	139.2	79%	0.785	77%	0.773	S	S	*	*			trans	105.2	126.7	142.5	-54.3	-156.7	-176.3	-129.9	-5.6	121.3
208	L	40.5	Very low	45.1	Very low	155 Å²	155	139.7 Å²	139.7	81%	0.812	78%	0.776	S	S	*	*			trans	61.3	135.9	142.6	-92.1	59.1	0	0	0	119
209	S	47.4	Very low	45.5	Very low	88 Å²	88	139.8 Å²	139.8	62%	0.615	78%	0.777	S	S	*	*			cis	155.4	168	5.4	48.8	0	0	0	0	106.8
210	K	49	Very low	45.3	Very low	169 Å²	169	141.1 Å²	141.1	74%	0.735	78%	0.78	S	S	*	*			trans	71.6	151.4	165	-63.9	-166.9	133.4	-66.7	0	116.2
211	D	46.6	Very low	45.1	Very low	120 Å²	120	135.4 Å²	135.4	64%	0.642	78%	0.777	S	S	*	*			cis	-156.3	163.7	-15.2	-81.6	-24.1	0	0	0	104.7
212	S	44.2	Very low	45.3	Very low	103 Å²	103	136.9 Å²	136.9	72%	0.72	78%	0.779	S	S	*	*			cis	-150.8	164.3	-2.2	-109.3	0	0	0	0	106.5
213	D	46.4	Very low	45.3	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	78%	0.777	S	S	*	*				81.1	145.3	55.7	-139.1	-21.5	0	0	0	115.2
214	E	46.3	Very low	45.5	Very low	177 Å²	177	134.5 Å²	134.5	83%	0.827	77%	0.772	S	S	*	*			trans	64.7	144.6	-177.9	-58.8	-164.1	137.7	0	0	118.4
215	S	45.8	Very low	45.7	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	77%	0.766	S	S	*	*			cis	-160.8	-171.5	-17	53.8	0	0	0	0	111
216	S	45.5	Very low	46.1	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	77%	0.774	S	S	*	*			trans	-100.3	-170.7	-165.4	51.8	0	0	0	0	115.6
217	E	48.1	Very low	46.4	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	79%	0.785	S	S	*	*			trans	80.3	149.8	167.5	-57	-179.1	170.4	0	0	117.1
218	D	45.9	Very low	46.9	Very low	156 Å²	156	138.2 Å²	138.2	83%	0.834	78%	0.783	S	S	*	*			cis	-167.2	178.6	-28.6	-173	23.2	0	0	0	108.3
219	S	44.4	Very low	47.4	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	78%	0.777	S	S	*	*			trans	96.2	157.5	151.3	-149.6	0	0	0	0	119.1
220	S	42	Very low	47.3	Very low	119 Å²	119	140.3 Å²	140.3	83%	0.832	79%	0.786	S	S	*	*			trans	-109.2	163.2	-159.1	55.1	0	0	0	0	113.9
221	G	45	Very low	47.2	Very low	76 Å²	76	138.9 Å²	138.9	78%	0.784	78%	0.782	S	S	*	*			trans	-150.3	82.1	-174.4	0	0	0	0	0	113.2
222	E	48	Very low	47.6	Very low	184 Å²	184	138.2 Å²	138.2	86%	0.86	79%	0.787	S	S	*	*			trans	-61.2	141.9	174.6	-177.4	-171	112.3	0	0	112.9
223	S	50.6	Low	47.9	Very low	118 Å²	118	141 Å²	141	83%	0.825	79%	0.794	S	S	*	*			trans	-158.7	140.8	154.5	50.9	0	0	0	0	112.4
224	E	46.8	Very low	48.3	Very low	175 Å²	175	139.5 Å²	139.5	82%	0.818	79%	0.794	S	S	*	*			trans	-99.2	157.6	-165.7	-76.8	-150.6	109.1	0	0	116.6
225	A	46.5	Very low	48.6	Very low	82 Å²	82	138.5 Å²	138.5	68%	0.678	80%	0.795	S	S	*	*			trans	46.3	128.5	137.7	0	0	0	0	0	121.9
226	K	53.2	Low	49.2	Very low	219 Å²	219	138.3 Å²	138.3	95%	0.952	79%	0.793	S	S	*	*			trans	-149.3	156.6	131.8	-111.6	142	-167.7	163.3	0	112.7
227	K	48.7	Very low	49.7	Very low	203 Å²	203	138 Å²	138	88%	0.883	79%	0.791	S	S	*	*			trans	-138.9	115.7	-157.2	176.8	178.9	179.1	174.3	0	112
228	S	54.1	Low	50.1	Low	106 Å²	106	139.1 Å²	139.1	74%	0.741	79%	0.793	S	S	*	*			trans	-165.7	114.9	169.6	47.9	0	0	0	0	105.9
229	K	49.9	Very low	50.3	Low	157 Å²	157	143.5 Å²	143.5	68%	0.683	80%	0.798	S	S	*	*			cis	59.1	89.6	41.9	-154.7	179	-157.6	-81.7	0	113.4	E231	K229-E231 IonicContact NZ-OE1 2.58Å; K229-E231 PolarHBondContact NZ-OE1 3.13Å; K229-E231 IonicContact NZ-OE2 2.64Å; K229-E231 PolarHBondContact NZ-OE2 3.15Å
230	T	46.1	Very low	50.5	Low	130 Å²	130	143.3 Å²	143.3	80%	0.798	80%	0.797	S	S	*	*			trans	-139.8	116.2	157.4	-42.4	0	0	0	0	106.9
231	E	48.1	Very low	51.2	Low	138 Å²	138	144.1 Å²	144.1	65%	0.645	80%	0.797	S	S	*	*			trans	-84.5	148	166.5	-69.6	118.3	153.6	0	0	109.6	K229	K229-E231 IonicContact NZ-OE1 2.58Å; K229-E231 PolarHBondContact NZ-OE1 3.13Å; K229-E231 IonicContact NZ-OE2 2.64Å; K229-E231 PolarHBondContact NZ-OE2 3.15Å
232	S	55	Low	51.6	Low	107 Å²	107	145 Å²	145	75%	0.748	79%	0.79	S	S	*	*			trans	-146.7	83.7	177.5	65.9	0	0	0	0	112.4
233	D	49.4	Very low	51.9	Low	162 Å²	162	141.7 Å²	141.7	87%	0.866	79%	0.788	S	S	*	*			trans	-56.9	144.9	163.4	-64.1	-90.5	0	0	0	111.6
234	S	55.9	Low	52.1	Low	113 Å²	113	140.8 Å²	140.8	79%	0.79	79%	0.788	S	S	*	*			trans	-145.3	72.8	170.8	41.3	0	0	0	0	111.7
235	D	51.8	Low	52.4	Low	157 Å²	157	143.6 Å²	143.6	84%	0.84	79%	0.791	S	S	*	*			trans	-62.4	132.3	165.8	175.1	34	0	0	0	110.6
236	S	57.4	Low	52.9	Low	110 Å²	110	149.3 Å²	149.3	77%	0.769	80%	0.8	S	S	*	*			trans	-132.7	68.6	-176.8	-162.7	0	0	0	0	112.6
237	S	56.9	Low	52.8	Low	94 Å²	94	146 Å²	146	66%	0.657	79%	0.793	S	S	*	*			trans	49.4	91.5	130.3	-69.3	0	0	0	0	118	R239	S237-R239 PolarHBondContact O-N 2.87Å
238	K	55.3	Low	53.1	Low	208 Å²	208	142.1 Å²	142.1	90%	0.904	79%	0.791	S	S	*	*			trans	-30	130	157.5	-60	157	-177.3	163.8	0	113.9
239	R	51.2	Low	52.8	Low	248 Å²	248	145.7 Å²	145.7	94%	0.936	80%	0.796	S	S	*	*			trans	-134.3	127	148.6	-75.3	-163.4	172.2	-151.1	-2.4	111.2	S237	S237-R239 PolarHBondContact O-N 2.87Å
240	S	48.9	Very low	52.8	Low	104 Å²	104	143.2 Å²	143.2	73%	0.727	80%	0.799	S	S	*	*			trans	-102.1	-169.4	170.8	55.1	0	0	0	0	110.1
241	V	56.5	Low	53	Low	136 Å²	136	142.6 Å²	142.6	82%	0.824	80%	0.8	S	S	*	*			trans	77.8	138.9	-172.8	-34	0	0	0	0	114.1
242	S	54.3	Low	53.1	Low	93 Å²	93	140.7 Å²	140.7	65%	0.65	80%	0.802	S	S	*	*			cis	-172.9	166.6	-15.6	43.8	0	0	0	0	110.7
243	S	54.3	Low	52.7	Low	115 Å²	115	140.9 Å²	140.9	80%	0.804	80%	0.803	S	S	*	*			trans	67.1	153.4	160.8	25.6	0	0	0	0	117
244	A	53.7	Low	52.6	Low	100 Å²	100	137.2 Å²	137.2	83%	0.826	80%	0.803	S	S	*	*			cis	-145.3	170.4	-5	0	0	0	0	0	111.2
245	R	52.8	Low	52.2	Low	233 Å²	233	140.8 Å²	140.8	88%	0.879	81%	0.807	S	S	*	*			trans	-84.7	151.3	-179.9	-51	169.6	-176.7	167.4	-2.2	111.9
246	K	58.1	Low	52.3	Low	203 Å²	203	139 Å²	139	88%	0.883	81%	0.808	S	S	*	*				-170.9	128.4	124.5	-112.7	-176.5	178.7	-170.6	0	113.7
247	D	50.5	Low	51.8	Low	150 Å²	150	142.5 Å²	142.5	80%	0.802	81%	0.812	S	S	*	*			trans	-86.9	145.1	166.3	-35.8	-99.6	0	0	0	110.3
248	S	55.6	Low	51.6	Low	121 Å²	121	141.9 Å²	141.9	85%	0.846	81%	0.812	S	S	*	*			trans	-166.7	148.3	157	55.2	0	0	0	0	110.3
249	E	48.1	Very low	51.7	Low	181 Å²	181	142 Å²	142	85%	0.846	81%	0.813	S	S	*	*			trans	-116.3	163.4	-155.6	-55.3	166.8	112.4	0	0	114.4
250	S	50	Low	51.7	Low	105 Å²	105	140.1 Å²	140.1	73%	0.734	81%	0.811	S	S	*	*			trans	74.1	139.7	147.2	77	0	0	0	0	121.5
251	S	48.8	Very low	52.3	Low	116 Å²	116	141 Å²	141	81%	0.811	82%	0.818	S	S	*	*			trans	66.4	160.5	150.4	75.3	0	0	0	0	118.8
252	S	50	Low	52.1	Low	99 Å²	99	141.8 Å²	141.8	69%	0.692	81%	0.81	S	S	*	*			cis	-168.2	147.1	-32.3	177.7	0	0	0	0	108.4
253	S	48.3	Very low	52.2	Low	111 Å²	111	144.5 Å²	144.5	78%	0.776	82%	0.822	S	S	*	*			trans	37.9	117.2	151.9	59.7	0	0	0	0	120.3
254	G	46	Very low	52	Low	84 Å²	84	144.8 Å²	144.8	87%	0.866	82%	0.815	S	S	*	*			trans	-169.1	89.5	169.4	0	0	0	0	0	115.3
255	E	47.8	Very low	52.3	Low	188 Å²	188	145.1 Å²	145.1	88%	0.879	81%	0.811	S	S	*	*			trans	-89.9	143.3	176.5	-176.3	-172	114	0	0	111.7
256	S	54.3	Low	52.2	Low	121 Å²	121	142.1 Å²	142.1	85%	0.846	81%	0.813	S	S	*	*			trans	-173.8	149.8	153.4	37.4	0	0	0	0	113.1
257	E	46.5	Very low	51.7	Low	183 Å²	183	135.6 Å²	135.6	86%	0.855	80%	0.804	S	S	*	*			trans	-99.8	170.3	-170.4	-60.3	-172.9	85.7	0	0	116.4
258	A	51.9	Low	51.7	Low	80 Å²	80	134.7 Å²	134.7	66%	0.661	81%	0.809	S	S	*	*			trans	80.8	128	136.5	0	0	0	0	0	121.2
259	K	58.1	Low	51.5	Low	212 Å²	212	134.3 Å²	134.3	92%	0.922	81%	0.806	S	S	*	*				-158.9	158.5	109	-101.8	143.6	-167.8	164.6	0	113.5
260	K	52.3	Low	51.7	Low	207 Å²	207	130.7 Å²	130.7	90%	0.9	80%	0.798	S	S	*	*			trans	-104.3	153.3	-177.3	-57.5	171	-179.3	173.7	0	111
261	S	59.6	Low	51.7	Low	124 Å²	124	133.8 Å²	133.8	87%	0.867	80%	0.798	S	S	*	*			trans	-149.4	140.5	148.6	48.9	0	0	0	0	110.4
262	K	53.2	Low	51.8	Low	152 Å²	152	136 Å²	136	66%	0.661	80%	0.796	S	S	*	*			trans	-108.9	156.1	178.4	-54.6	178.6	77.6	-134.8	0	109.8	D264	K262-D264 WeakPolarHBondContact CE-OD2 3.4Å; K262-D264 IonicContact NZ-OD1 2.87Å; K262-D264 PolarHBondContact NZ-OD1 2.84Å; K262-D264 IonicContact NZ-OD2 2.66Å; K262-D264 PolarHBondContact NZ-OD2 3.33Å
263	T	56.4	Low	52	Low	149 Å²	149	136 Å²	136	91%	0.914	80%	0.796	S	S	*	*			trans	-138.6	122.5	148.3	44.6	0	0	0	0	109.1
264	D	50.2	Low	52.1	Low	121 Å²	121	136.2 Å²	136.2	65%	0.647	80%	0.795	S	S	*	*			trans	-108.2	141.9	179.5	-51.7	-104.2	0	0	0	110.5	K262	K262-D264 WeakPolarHBondContact CE-OD2 3.4Å; K262-D264 IonicContact NZ-OD1 2.87Å; K262-D264 PolarHBondContact NZ-OD1 2.84Å; K262-D264 IonicContact NZ-OD2 2.66Å; K262-D264 PolarHBondContact NZ-OD2 3.33Å
265	S	59.4	Low	52.4	Low	107 Å²	107	140 Å²	140	75%	0.748	79%	0.794	S	S	*	*			trans	-163	112.7	157.7	59.8	0	0	0	0	114.1
266	N	51.1	Low	52.2	Low	170 Å²	170	137.8 Å²	137.8	91%	0.909	79%	0.788	S	S	*	*			trans	30.8	140.7	136.3	-48.4	-32.7	0	0	0	120.7
267	G	48.1	Very low	51.9	Low	67 Å²	67	136.3 Å²	136.3	69%	0.691	78%	0.778	S	S	*	*			cis	159.2	-167.4	2.5	0	0	0	0	0	112.9
268	S	50.2	Low	52.1	Low	130 Å²	130	139.4 Å²	139.4	91%	0.909	78%	0.782	S	S	*	*			trans	74.1	126.6	177.2	-62.9	0	0	0	0	118.5
269	S	50.6	Low	52	Low	113 Å²	113	144.8 Å²	144.8	79%	0.79	79%	0.79	S	S	*	*			trans	-115.9	-155.4	169.6	-41.5	0	0	0	0	107.5
270	P	52.8	Low	51.7	Low	105 Å²	105	141.7 Å²	141.7	68%	0.682	79%	0.789	S	S	*	*			cis	-141.3	-174.7	-16.1	35.6	-14.5	0	0	0	116
271	K	51	Low	51.5	Low	170 Å²	170	136.6 Å²	136.6	74%	0.739	78%	0.779	S	S	*	*			trans	84.9	133.9	135.6	-95.6	173.4	-177.1	-178.5	0	123.2
272	H	51.1	Low	51.3	Low	163 Å²	163	137.2 Å²	137.2	76%	0.755	78%	0.778	S	S	*	*			trans	67.1	149.1	154.6	-62	-55.8	0	0	0	117.6
273	S	53.7	Low	50.9	Low	99 Å²	99	136 Å²	136	69%	0.692	78%	0.784	S	S	*	*			cis	-166.1	154.1	-7.7	41.5	0	0	0	0	111
274	P	50.4	Low	50.8	Low	116 Å²	116	134.7 Å²	134.7	75%	0.753	78%	0.78	S	S	*	*			trans	-86.7	148.9	162.9	35.7	-32.5	0	0	0	111.8
275	L	51.2	Low	50.7	Low	162 Å²	162	138.2 Å²	138.2	85%	0.848	79%	0.79	S	S	*	*			trans	178.7	131.8	143.8	-104	167	0	0	0	114.7
276	D	43.8	Very low	50.3	Low	143 Å²	143	136.7 Å²	136.7	77%	0.765	78%	0.784	S	S	*	*			trans	63.5	177.1	142.6	-123.9	-64.4	0	0	0	122.5
277	S	48.3	Very low	50.2	Low	89 Å²	89	135.9 Å²	135.9	62%	0.622	78%	0.779	S	S	*	*			trans	-117.2	163.2	-150.3	62.6	0	0	0	0	113.3
278	R	49.9	Very low	50.4	Low	248 Å²	248	137.9 Å²	137.9	94%	0.936	78%	0.782	S	S	*	*			trans	-158.4	140.7	159.2	-132.6	157.1	-81.6	-165.1	-4.9	112.9
279	K	50.1	Low	50.6	Low	193 Å²	193	136.6 Å²	136.6	84%	0.839	77%	0.771	S	S	*	*			trans	-78.2	154.3	177.8	-59	176.6	179.2	178.6	0	111.6
280	T	53	Low	50.3	Low	148 Å²	148	138.1 Å²	138.1	91%	0.908	77%	0.766	S	S	*	*			trans	-126	148.7	148	52	0	0	0	0	109.2
281	S	46.9	Very low	50	Low	99 Å²	99	142 Å²	142	69%	0.692	78%	0.775	S	S	*	*			trans	-152.8	115.8	-173.2	57.6	0	0	0	0	112
282	V	55.2	Low	49.9	Very low	138 Å²	138	141.6 Å²	141.6	84%	0.836	77%	0.773	S	S	*	*			trans	-148.4	124.5	167.7	-82.8	0	0	0	0	106.8
283	T	45.5	Very low	49.9	Very low	127 Å²	127	139.7 Å²	139.7	78%	0.779	78%	0.778	S	S	*	*			cis	93.8	61.1	27.3	75.9	0	0	0	0	116.8
284	S	55.2	Low	49.6	Very low	120 Å²	120	142.3 Å²	142.3	84%	0.839	78%	0.784	S	S	*	*			trans	-167.3	151.2	156.7	51.2	0	0	0	0	112.6
285	K	47.8	Very low	49.8	Very low	196 Å²	196	142.5 Å²	142.5	85%	0.852	79%	0.789	S	S	*	*				-178.6	128.7	-52.2	163.3	172.4	176.8	-179	0	109.8
286	A	50.3	Low	49.5	Very low	75 Å²	75	142.4 Å²	142.4	62%	0.62	79%	0.789	S	S	*	*			trans	78.4	149.1	156.1	0	0	0	0	0	122
287	N	49.5	Very low	49.7	Very low	153 Å²	153	140.8 Å²	140.8	82%	0.818	79%	0.788	S	S	*	*			trans	71.1	141.8	162.1	-54.1	-14	0	0	0	118.2
288	S	52.4	Low	49.8	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	79%	0.791	S	S	*	*			cis	-161.9	170.5	-17.4	-105.1	0	0	0	0	110.5
289	P	53.3	Low	49.8	Very low	103 Å²	103	134 Å²	134	67%	0.669	78%	0.78	S	S	*	*			trans	-108.9	-176	-162.6	42.7	-37.2	0	0	0	116.5
290	E	44.2	Very low	49.9	Very low	146 Å²	146	131.2 Å²	131.2	68%	0.682	77%	0.774	S	S	*	*			trans	73.6	151.2	171.5	-55.9	-174.4	104.6	0	0	114.4	K292	E290-K292 IonicContact OE1-NZ 2.76Å; E290-K292 PolarHBondContact OE1-NZ 3.16Å
291	E	48.2	Very low	50	Low	186 Å²	186	132 Å²	132	87%	0.869	77%	0.766	S	S	*	*			cis	-118.6	161.9	14.8	-57.7	176.3	114.2	0	0	110.8
292	K	48.9	Very low	50.3	Low	162 Å²	162	132.3 Å²	132.3	70%	0.704	77%	0.769	S	S	*	*			cis	72.1	94.8	35.2	-77.4	-178.4	-175.1	153	0	116.4	E290	E290-K292 IonicContact OE1-NZ 2.76Å; E290-K292 PolarHBondContact OE1-NZ 3.16Å
293	S	50.8	Low	50.2	Low	123 Å²	123	132.9 Å²	132.9	86%	0.86	76%	0.762	S	S	*	*			trans	-154.1	112.5	153.3	47.1	0	0	0	0	112.2
294	D	46.7	Very low	50.6	Low	153 Å²	153	135.5 Å²	135.5	82%	0.818	77%	0.766	S	S	*	*			trans	-79.7	146.4	173.5	-53.6	-105.2	0	0	0	111.8
295	S	53.9	Low	50.5	Low	121 Å²	121	135.5 Å²	135.5	85%	0.846	77%	0.766	S	S	*	*			trans	-163.5	125.4	142.2	42.3	0	0	0	0	112.6
296	N	45.6	Very low	50.8	Low	160 Å²	160	130.2 Å²	130.2	86%	0.856	76%	0.759	S	S	*	*			trans	-89.2	154.9	166.5	-56	-88.6	0	0	0	109.2
297	S	47.8	Very low	50.9	Low	108 Å²	108	134.6 Å²	134.6	76%	0.755	77%	0.766	S	S	*	*				-172.5	145.1	127.6	-162.5	0	0	0	0	114
298	S	51.4	Low	51.4	Low	97 Å²	97	136 Å²	136	68%	0.678	77%	0.765	S	S	*	*			trans	31.6	120.3	147.7	58.2	0	0	0	0	120.4
299	S	49.8	Very low	51.8	Low	99 Å²	99	135.9 Å²	135.9	69%	0.692	76%	0.764	S	S	*	*				70.3	110.2	51.1	-163.7	0	0	0	0	115
300	N	52.1	Low	51.7	Low	134 Å²	134	140.3 Å²	140.3	72%	0.717	78%	0.779	S	S	*	*				164.7	144.8	118.5	-83.4	-21.3	0	0	0	115.2
301	H	54.5	Low	52.1	Low	163 Å²	163	143.4 Å²	143.4	76%	0.755	79%	0.79	S	S	*	*			trans	60.1	157.5	162.3	-69.1	-65.1	0	0	0	118.7
302	S	54	Low	52.7	Low	107 Å²	107	142.8 Å²	142.8	75%	0.748	79%	0.79	S	S	*	*			cis	-130	153.3	7.5	-169.7	0	0	0	0	113.6
303	E	52.5	Low	53.2	Low	149 Å²	149	144.3 Å²	144.3	70%	0.696	80%	0.797	S	S	*	*			trans	-69.9	155.1	161.4	-57.9	143.8	90.3	0	0	110.9
304	Q	54.2	Low	52.9	Low	182 Å²	182	149 Å²	149	85%	0.85	80%	0.796	S	S	*	*				172.7	162.5	108.8	-92.8	-175.1	15.9	0	0	112.9
305	S	52.4	Low	53.4	Low	120 Å²	120	150.2 Å²	150.2	84%	0.839	80%	0.797	S	S	*	*			trans	75	137.5	163	-154.4	0	0	0	0	117.5
306	A	55	Low	53.3	Low	85 Å²	85	151.7 Å²	151.7	70%	0.702	80%	0.795	S	S	*	*			cis	-157.3	165.3	-22.2	0	0	0	0	0	111.5
307	E	52.6	Low	53.8	Low	167 Å²	167	148.5 Å²	148.5	78%	0.78	79%	0.786	S	S	*	*			trans	-48.6	142.6	178.2	-45.6	159.3	94.6	0	0	115.9
308	K	59.3	Low	54.1	Low	183 Å²	183	152.7 Å²	152.7	80%	0.796	79%	0.79	S	S	*	*				-179.6	147.3	102.4	-100.8	162.7	-174.3	166.9	0	117.7
309	S	59.6	Low	54.4	Low	105 Å²	105	157 Å²	157	73%	0.734	80%	0.8	S	S	*	*			trans	56.6	89.8	140.7	-57.1	0	0	0	0	122
310	M	52.9	Low	54.8	Low	197 Å²	197	157.6 Å²	157.6	97%	0.97	80%	0.804	S	S	*	*			trans	-146	90.8	143.9	-77.2	-161.8	177	0	0	111.8
311	K	52.4	Low	55	Low	210 Å²	210	159.2 Å²	159.2	91%	0.913	81%	0.807	S	S	*	*			trans	-161	75.6	169	-153.4	164.7	-172.1	172.1	0	116.2
312	I	60.1	Low	54.9	Low	173 Å²	173	159.3 Å²	159.3	89%	0.887	81%	0.813	S	S	*	*			trans	-152.1	137.4	168.1	-92	141	0	0	0	105.4
313	K	59.1	Low	55.1	Low	194 Å²	194	158.2 Å²	158.2	84%	0.843	81%	0.806	S	S	*	*			cis	-154.7	155.8	-17.5	-172.2	-178.8	179.9	-170.6	0	106.2
314	R	45.8	Very low	55.3	Low	223 Å²	223	156.3 Å²	156.3	84%	0.842	81%	0.809	S	S	*	*			trans	-86.1	172.9	174	-81.6	-176.1	161.2	80.7	-1.3	111.1
315	E	55.7	Low	55.2	Low	177 Å²	177	152.9 Å²	152.9	83%	0.827	81%	0.811	S	S	*	*			trans	84	104.8	161.5	-53	179.2	124.6	0	0	116.4
316	N	53.4	Low	55.6	Low	152 Å²	152	151.6 Å²	151.6	81%	0.813	80%	0.802	S	S	*	*				-161.4	151.4	108.5	-96.6	-4.7	0	0	0	112.5
317	S	54.9	Low	55.7	Low	94 Å²	94	156 Å²	156	66%	0.657	81%	0.809	S	S	*	*			trans	25.8	128.7	135.5	-51	0	0	0	0	119.3
318	K	53.4	Low	55.9	Low	195 Å²	195	152.5 Å²	152.5	85%	0.848	80%	0.802	S	S	*	*			cis	59.1	132.6	14.3	-112.8	-171.8	-178.9	-171.3	0	115.5
319	E	58.6	Low	55.6	Low	188 Å²	188	152.4 Å²	152.4	88%	0.879	81%	0.805	S	S	*	*			trans	72.2	140	-156.2	-52.5	172.6	142.3	0	0	110
320	S	57.6	Low	55.6	Low	112 Å²	112	153.3 Å²	153.3	78%	0.783	81%	0.811	S	S	*	*			cis	-166.2	166.4	-3.8	39.1	0	0	0	0	107.8
321	E	57	Low	56	Low	168 Å²	168	149.3 Å²	149.3	79%	0.785	80%	0.802	S	S	*	*			cis	-122.1	-143.8	9.2	-52.8	-171.6	138.8	0	0	112.3	S323	E321-S323 PolarHBondContact OE2-OG 2.76Å
322	D	51.6	Low	56.5	Low	165 Å²	165	144.6 Å²	144.6	88%	0.882	80%	0.796	S	S	*	*			trans	-148.7	101.2	165.7	177.1	11.4	0	0	0	107.4
323	S	58.9	Low	57.2	Low	84 Å²	84	143.8 Å²	143.8	59%	0.587	79%	0.793	S	S	*	*			trans	-165.2	143.2	-175	49.6	0	0	0	0	110.4	E321	E321-S323 PolarHBondContact OE2-OG 2.76Å
324	S	56	Low	57.5	Low	109 Å²	109	139.8 Å²	139.8	76%	0.762	79%	0.789	S	S	*	*			cis	-145.8	150.9	-8.1	52.5	0	0	0	0	110.9
325	A	52.5	Low	58.2	Low	110 Å²	110	142.4 Å²	142.4	91%	0.909	81%	0.811	S	S	*	*			trans	-113.9	110.7	178.3	0	0	0	0	0	111.3
326	S	61.6	Low	58.3	Low	93 Å²	93	140.7 Å²	140.7	65%	0.65	81%	0.81	S	S	*	*			trans	-176.1	136.5	-170.3	53.6	0	0	0	0	107.6
327	E	55.9	Low	58.6	Low	178 Å²	178	140.1 Å²	140.1	83%	0.832	81%	0.81	S	S	*	*			cis	-140.5	144.3	-3.3	-60.4	-168.6	114.1	0	0	105.2
328	S	56.8	Low	58.8	Low	92 Å²	92	142.6 Å²	142.6	64%	0.643	82%	0.819	S	S	*	*			cis	72.8	81	45.1	81.8	0	0	0	0	115.8
329	E	54.7	Low	59.1	Low	182 Å²	182	139.5 Å²	139.5	85%	0.85	82%	0.817	S	S	*	*			trans	89.8	145	139.4	-47.4	-169.3	-170.4	0	0	121.3
330	S	59	Low	59.1	Low	123 Å²	123	136.5 Å²	136.5	86%	0.86	81%	0.813	S	S	*	*			trans	70	152.3	170.7	83.2	0	0	0	0	117.1
331	S	61.3	Low	59.2	Low	114 Å²	114	138.1 Å²	138.1	80%	0.797	82%	0.815	S	S	*	*			cis	-144.7	161.7	-5.8	-169.3	0	0	0	0	110.8
332	S	63.3	Low	59.4	Low	110 Å²	110	136 Å²	136	77%	0.769	82%	0.817	S	S	*	*			trans	-61.5	150	167.8	-50.3	0	0	0	0	112.9
333	D	73.5	Confident	60	Low	157 Å²	157	133.8 Å²	133.8	84%	0.84	81%	0.812	S	S	*	*				-154.2	154.7	114.2	-137.3	11.2	0	0	0	111.4
334	S	66.6	Low	60.1	Low	109 Å²	109	137.9 Å²	137.9	76%	0.762	83%	0.831	S	S	*	*			trans	-158.5	148.2	178.3	-75.2	0	0	0	0	111.3
335	E	59.8	Low	60.5	Low	278 Å²	278	140.5 Å²	140.5	100%	1.299	84%	0.837	S	S	*	*			trans	76.6	0	-172.9	-60.2	-170.8	73.9	0	0	116.3

Retrieved 335 of 335 residues in 67.9 ms (Link to these results)

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