A0A5K4FBB1_SCHMA Loading...

Gemin6_C domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 180 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.1	Very low	75.1	Confident	119 Å²	119	71 Å²	71	59%	0.586	41%	0.409	S	S	*	.				0	146.7	0	-76.9	-179	-176.9	0	0	108.7	L62	M1-L62 PolarHBondContact N-O 3.39Å
2	D	57.1	Low	76.5	Confident	121 Å²	121	70.6 Å²	70.6	65%	0.647	41%	0.405	S	S	*	.			trans	-59.9	141.4	164.3	-179.7	18	0	0	0	108.6	S4 T5	D2-S4 WeakPolarHBondContact CB-OG 3.37Å; D2-S4 PolarHBondContact O-N 2.93Å; D2-S4 WeakPolarHBondContact OD2-CB 3.48Å; D2-S4 PolarHBondContact OD2-OG 2.97Å; D2-T5 PolarHBondContact O-N 3.34Å
3	L	64.5	Low	77.7	Confident	56 Å²	56	72.2 Å²	72.2	29%	0.293	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	5.9	-179.4	-76.8	152.7	0	0	0	112.6	T5 V59 E60 L62	L3-T5 VanDerWaalsContact C-N 3.32Å; L3-V59 HydrophobicContact CD2-CG1 4.3Å; L3-E60 WeakPolarHBondContact CD1-O 3.43Å; L3-L62 HydrophobicContact CD2-CB 4.39Å
4	S	63.5	Low	78.9	Confident	89 Å²	89	69.4 Å²	69.4	62%	0.622	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.9	172.4	54.5	0	0	0	0	114	D2 N6	D2-S4 WeakPolarHBondContact CB-OG 3.37Å; D2-S4 PolarHBondContact O-N 2.93Å; D2-S4 WeakPolarHBondContact OD2-CB 3.48Å; D2-S4 PolarHBondContact OD2-OG 2.97Å; S4-N6 PolarHBondContact O-N 3.3Å
5	T	71.7	Confident	80	Confident	54 Å²	54	64.7 Å²	64.7	33%	0.331	36%	0.361	S	S	.	.	S	Bend	trans	-70.8	126.8	173.7	-54.2	0	0	0	0	109.4	D2 L3 P7	D2-T5 PolarHBondContact O-N 3.34Å; L3-T5 VanDerWaalsContact C-N 3.32Å; T5-P7 WeakPolarHBondContact O-CD 3.41Å
6	N	82.5	Confident	80.9	Confident	93 Å²	93	65.8 Å²	65.8	50%	0.497	36%	0.358	S	S	.	.			trans	-57.6	114.2	176.9	-178.2	-12	0	0	0	109.2	S4 S8 T9	S4-N6 PolarHBondContact O-N 3.3Å; N6-S8 PolarHBondContact O-N 2.87Å; N6-S8 VanDerWaalsContact O-N 3.08Å; N6-S8 WeakPolarHBondContact OD1-CB 3.46Å; N6-S8 PolarHBondContact OD1-N 3.48Å; N6-S8 VanDerWaalsContact OD1-N 3.11Å; N6-S8 PolarHBondContact OD1-OG 3.48Å; N6-T9 HydrophobicContact CB-CG2 4.33Å; N6-T9 PolarHBondContact O-N 3.28Å; N6-T9 PolarHBondContact O-OG1 3.41Å
7	P	84.3	Confident	81.7	Confident	33 Å²	33	61.9 Å²	61.9	21%	0.214	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-67	-17.4	-171.4	31.4	-38.9	0	0	0	112.3	T5 T9 L10 L29 V32 Y39	T5-P7 WeakPolarHBondContact O-CD 3.41Å; P7-T9 PolarHBondContact O-N 2.88Å; P7-L10 WeakPolarHBondContact O-CB 3.3Å; P7-L10 PolarHBondContact O-N 2.81Å; P7-L10 VanDerWaalsContact O-N 3.09Å; P7-L29 WeakPolarHBondContact O-CD2 3.37Å; P7-V32 HydrophobicContact CB-CG1 4.49Å; P7-V32 HydrophobicContact CB-CG2 3.99Å; P7-V32 HydrophobicContact CG-CG1 4.06Å; P7-V32 HydrophobicContact CG-CG2 4.34Å; P7-Y39 HydrophobicContact CB-CE1 3.8Å
8	S	84.2	Confident	82.5	Confident	62 Å²	62	62 Å²	62	43%	0.434	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-63.2	-25	172	-55.1	0	0	0	0	113.3	N6 L10 I11	N6-S8 PolarHBondContact O-N 2.87Å; N6-S8 VanDerWaalsContact O-N 3.08Å; N6-S8 WeakPolarHBondContact OD1-CB 3.46Å; N6-S8 PolarHBondContact OD1-N 3.48Å; N6-S8 VanDerWaalsContact OD1-N 3.11Å; N6-S8 PolarHBondContact OD1-OG 3.48Å; S8-L10 PolarHBondContact O-N 3.42Å; S8-I11 WeakPolarHBondContact O-CD1 3.46Å; S8-I11 WeakPolarHBondContact O-CG1 3.44Å; S8-I11 PolarHBondContact O-N 3.4Å
9	T	88.1	Confident	83.1	Confident	85 Å²	85	58.9 Å²	58.9	52%	0.521	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-76.7	-4.3	175.8	66.6	0	0	0	0	113.2	N6 P7	N6-T9 HydrophobicContact CB-CG2 4.33Å; N6-T9 PolarHBondContact O-N 3.28Å; N6-T9 PolarHBondContact O-OG1 3.41Å; P7-T9 PolarHBondContact O-N 2.88Å
10	L	90.1	Very high	83.6	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.031	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-103.6	1.5	-179.6	-55.3	176	0	0	0	112.2	P7 S8 K13 I15 L29 L62 T64	P7-L10 WeakPolarHBondContact O-CB 3.3Å; P7-L10 PolarHBondContact O-N 2.81Å; P7-L10 VanDerWaalsContact O-N 3.09Å; S8-L10 PolarHBondContact O-N 3.42Å; L10-K13 HydrophobicContact CD2-CD 4.34Å; L10-K13 WeakPolarHBondContact O-CB 3.19Å; L10-K13 PolarHBondContact O-N 3.2Å; L10-K13 VanDerWaalsContact O-N 3.1Å; L10-I15 HydrophobicContact CB-CG2 4.28Å; L10-L29 HydrophobicContact CB-CD2 3.84Å; L10-L62 HydrophobicContact CD1-CD1 3.68Å; L10-L62 HydrophobicContact CD1-CD2 3.5Å; L10-L62 HydrophobicContact CD1-CG 4.27Å; L10-T64 HydrophobicContact CD2-CG2 4.31Å; L10-T64 WeakPolarHBondContact CD2-OG1 3.32Å
11	I	91.2	Very high	84	Confident	63 Å²	63	63.5 Å²	63.5	32%	0.323	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	141.8	173	-65.8	170.6	0	0	0	108.8	S8 K13 L29 Y30	S8-I11 WeakPolarHBondContact O-CD1 3.46Å; S8-I11 WeakPolarHBondContact O-CG1 3.44Å; S8-I11 PolarHBondContact O-N 3.4Å; I11-K13 PolarHBondContact O-N 2.96Å; I11-L29 HydrophobicContact CG1-CD2 4.48Å; I11-Y30 WeakPolarHBondContact CG2-O 3.45Å
12	D	91.6	Very high	86	Confident	66 Å²	66	65.4 Å²	65.4	35%	0.353	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	2	-173.9	-55.8	-35.2	0	0	0	115.9	L29 I69 F77	D12-L29 PolarHBondContact N-O 3.37Å; D12-I69 HydrophobicContact CB-CD1 4.26Å; D12-F77 VanDerWaalsContact OD1-CD2 3.27Å; D12-F77 WeakPolarHBondContact OD1-CD2 3.31Å; D12-F77 WeakPolarHBondContact OD1-CE2 3.49Å
13	K	92.5	Very high	87.8	Confident	92 Å²	92	64.5 Å²	64.5	40%	0.4	34%	0.337	S	S	.	.	S	Bend	trans	-95.3	147	175.6	-57.6	-170.7	179.7	-178.7	0	111.3	L10 I11 I15 F28 L29 T64	L10-K13 HydrophobicContact CD2-CD 4.34Å; L10-K13 WeakPolarHBondContact O-CB 3.19Å; L10-K13 PolarHBondContact O-N 3.2Å; L10-K13 VanDerWaalsContact O-N 3.1Å; I11-K13 PolarHBondContact O-N 2.96Å; K13-I15 HydrophobicContact CB-CG2 4.48Å; K13-I15 PolarHBondContact O-N 3.41Å; K13-F28 WeakPolarHBondContact O-CA 3.48Å; K13-L29 PolarHBondContact O-N 3.46Å; K13-T64 HydrophobicContact CB-CG2 4.21Å; K13-T64 HydrophobicContact CD-CG2 3.93Å
14	M	94.4	Very high	89.2	Confident	32 Å²	32	66.4 Å²	66.4	16%	0.158	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.3	166.4	-173.5	69.4	166.2	0	0	108.7	S26 G27 F28 L65 D67	M14-S26 WeakPolarHBondContact CE-OG 3.29Å; M14-G27 WeakPolarHBondContact SD-CA 3.41Å; M14-F28 HydrophobicContact CB-CD1 4.02Å; M14-F28 HydrophobicContact CB-CE1 3.7Å; M14-F28 HydrophobicContact CB-CZ 3.98Å; M14-F28 HydrophobicContact CG-CZ 4.46Å; M14-F28 HydrophobicContact SD-CD2 3.82Å; M14-F28 HydrophobicContact SD-CE2 3.79Å; M14-F28 HydrophobicContact SD-CG 4.22Å; M14-F28 HydrophobicContact SD-CZ 4.15Å; M14-L65 HydrophobicContact CB-CB 4Å; M14-L65 HydrophobicContact CG-CB 3.87Å; M14-L65 HydrophobicContact CG-CD1 3.81Å; M14-L65 HydrophobicContact CG-CG 4.34Å; M14-L65 PolarHBondContact O-N 3.17Å; M14-L65 VanDerWaalsContact O-O 3.06Å; M14-D67 HydrophobicContact CB-CB 3.74Å; M14-D67 HydrophobicContact CG-CB 4.27Å; M14-D67 WeakPolarHBondContact CG-OD2 3.35Å
15	I	94.6	Very high	90.8	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158.6	176.1	69.8	170.1	0	0	0	110.9	L10 K13 L17 S26 G27 L29 Y39 L41 L62 E63 T64	L10-I15 HydrophobicContact CB-CG2 4.28Å; K13-I15 HydrophobicContact CB-CG2 4.48Å; K13-I15 PolarHBondContact O-N 3.41Å; I15-L17 HydrophobicContact CD1-CD2 3.8Å; I15-L17 HydrophobicContact CD1-CG 4.18Å; I15-S26 VanDerWaalsContact O-CA 3.31Å; I15-S26 WeakPolarHBondContact O-CA 3.42Å; I15-S26 PolarHBondContact O-OG 3.39Å; I15-G27 PolarHBondContact N-O 2.81Å; I15-G27 PolarHBondContact O-N 3.33Å; I15-L29 HydrophobicContact CD1-CB 4.11Å; I15-L29 HydrophobicContact CD1-CD1 4.26Å; I15-L29 HydrophobicContact CD1-CD2 4.17Å; I15-L29 HydrophobicContact CD1-CG 4.42Å; I15-L29 HydrophobicContact CG1-CB 4.31Å; I15-Y39 HydrophobicContact CD1-CD1 4.22Å; I15-L41 HydrophobicContact CD1-CD2 3.78Å; I15-L41 HydrophobicContact CG1-CD2 3.64Å; I15-L62 HydrophobicContact CD1-CD1 3.99Å; I15-E63 CarbonylContact C-O 3.49Å; I15-E63 WeakPolarHBondContact CA-O 3.31Å; I15-T64 HydrophobicContact CG2-CG2 4.48Å
16	R	95.1	Very high	91.9	Very high	82 Å²	82	65 Å²	65	31%	0.309	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.4	172.3	-174	-178.4	-66	153	-4.7	109.2	Y18 I24 F25 E63 L65	R16-Y18 WeakPolarHBondContact CD-OH 3.34Å; R16-Y18 HydrophobicContact CG-CE2 4.14Å; R16-I24 HydrophobicContact CG-CG2 3.49Å; R16-I24 VanDerWaalsContact CG-CG2 3.49Å; R16-F25 CarbonylContact C-O 3.49Å; R16-F25 WeakPolarHBondContact CA-O 3.33Å; R16-E63 HydrophobicContact CB-CB 4.31Å; R16-E63 IonicContact CZ-OE2 3Å; R16-E63 PolarHBondContact N-O 3.47Å; R16-E63 IonicContact NH1-OE2 2.72Å; R16-E63 PolarHBondContact NH1-OE2 3.06Å; R16-E63 PolarHBondContact O-N 3.06Å; R16-L65 HydrophobicContact CB-CD1 4.41Å
17	L	95.1	Very high	92.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.1	178.1	-58.3	-179.1	0	0	0	108.8	I15 I24 F25 Y39 L41 V54 V59 L62	I15-L17 HydrophobicContact CD1-CD2 3.8Å; I15-L17 HydrophobicContact CD1-CG 4.18Å; L17-I24 WeakPolarHBondContact O-CA 3.36Å; L17-F25 PolarHBondContact N-O 3.48Å; L17-F25 PolarHBondContact O-N 3.14Å; L17-Y39 HydrophobicContact CD1-CD1 4.34Å; L17-Y39 HydrophobicContact CD1-CD2 3.79Å; L17-Y39 HydrophobicContact CD1-CE2 4.47Å; L17-Y39 HydrophobicContact CD1-CG 3.72Å; L17-Y39 HydrophobicContact CD2-CE1 4.48Å; L17-L41 HydrophobicContact CD1-CD1 3.81Å; L17-L41 HydrophobicContact CD1-CG 4.43Å; L17-L41 HydrophobicContact CG-CD1 4.23Å; L17-V54 HydrophobicContact CD1-CB 3.82Å; L17-V54 HydrophobicContact CD1-CG1 3.85Å; L17-V54 HydrophobicContact CD1-CG2 4.08Å; L17-V59 HydrophobicContact CB-CG1 4.37Å; L17-V59 HydrophobicContact CB-CG2 4.35Å; L17-V59 HydrophobicContact CD1-CG2 4.13Å; L17-V59 HydrophobicContact CD2-CG1 4.02Å; L17-L62 HydrophobicContact CD2-CB 4.11Å; L17-L62 HydrophobicContact CD2-CD1 3.7Å; L17-L62 HydrophobicContact CD2-CG 3.82Å
18	Y	95.4	Very high	93	Very high	63 Å²	63	59.8 Å²	59.8	25%	0.247	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.9	168.7	-61.6	-94.4	0	0	0	107.7	R16 I24 E60 K61 E63	R16-Y18 WeakPolarHBondContact CD-OH 3.34Å; R16-Y18 HydrophobicContact CG-CE2 4.14Å; Y18-I24 HydrophobicContact CD1-CD1 3.89Å; Y18-I24 HydrophobicContact CD1-CG1 3.89Å; Y18-I24 HydrophobicContact CE1-CD1 3.74Å; Y18-I24 HydrophobicContact CE1-CG1 4.2Å; Y18-E60 PolarHBondContact O-N 3.19Å; Y18-K61 HydrophobicContact CD2-CB 4.09Å; Y18-K61 HydrophobicContact CD2-CD 4.07Å; Y18-K61 HydrophobicContact CD2-CG 4.03Å; Y18-K61 HydrophobicContact CE2-CD 4.39Å; Y18-K61 HydrophobicContact CG-CB 4.37Å; Y18-K61 PolarHBondContact N-O 3.35Å; Y18-K61 PolarHBondContact O-N 3.37Å; Y18-E63 HydrophobicContact CE2-CB 4.05Å; Y18-E63 PolarHBondContact OH-OE2 3.22Å; Y18-E63 VanDerWaalsContact OH-OE2 3.14Å
19	C	94.3	Very high	93.5	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.02	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	165.9	-177.8	-56.4	0	0	0	0	110.9	D22 K23 V58	C19-D22 PolarHBondContact O-N 2.95Å; C19-K23 WeakPolarHBondContact CA-O 3.35Å; C19-K23 HydrophobicContact CB-CB 4.12Å; C19-K23 WeakPolarHBondContact CB-O 3.31Å; C19-K23 PolarHBondContact N-O 3.36Å; C19-K23 PolarHBondContact O-N 2.91Å; C19-V58 CarbonylContact C-O 3.45Å; C19-V58 WeakPolarHBondContact CA-O 3.4Å; C19-V58 HydrophobicContact CB-CB 4.47Å; C19-V58 HydrophobicContact CB-CG2 4.3Å; C19-V58 VanDerWaalsContact CB-O 3.27Å; C19-V58 WeakPolarHBondContact CB-O 3.45Å
20	I	93.6	Very high	93.8	Very high	72 Å²	72	55.4 Å²	55.4	37%	0.369	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	152.3	168.9	66.9	-179.8	0	0	0	111	D22 V58 E60	I20-D22 VanDerWaalsContact C-N 3.31Å; I20-D22 PolarHBondContact O-N 2.84Å; I20-V58 HydrophobicContact CD1-CB 4.08Å; I20-V58 HydrophobicContact CD1-CG1 3.78Å; I20-V58 HydrophobicContact CG1-CB 4.01Å; I20-V58 HydrophobicContact CG1-CG1 4.24Å; I20-V58 PolarHBondContact N-O 3.39Å; I20-E60 HydrophobicContact CG2-CG 4.06Å
21	E	91.9	Very high	94	Very high	143 Å²	143	57.8 Å²	57.8	67%	0.668	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	32.1	-177.6	-49.1	176.4	157.9	0	0	113.9	K23	E21-K23 PolarHBondContact O-N 2.93Å; E21-K23 IonicContact OE2-NZ 3.96Å; E21-K23 PolarHBondContact OE2-NZ 3.01Å
22	D	89.3	Confident	94.1	Very high	158 Å²	158	55.4 Å²	55.4	85%	0.845	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	21.5	179.2	-61.1	-49.8	0	0	0	114.1	C19 I20	C19-D22 PolarHBondContact O-N 2.95Å; I20-D22 VanDerWaalsContact C-N 3.31Å; I20-D22 PolarHBondContact O-N 2.84Å
23	K	95	Very high	94	Very high	103 Å²	103	55 Å²	55	45%	0.448	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	130.4	177.5	-76.9	173.9	178.6	150.2	0	109.9	C19 E21 F25	C19-K23 WeakPolarHBondContact CA-O 3.35Å; C19-K23 HydrophobicContact CB-CB 4.12Å; C19-K23 WeakPolarHBondContact CB-O 3.31Å; C19-K23 PolarHBondContact N-O 3.36Å; C19-K23 PolarHBondContact O-N 2.91Å; E21-K23 PolarHBondContact O-N 2.93Å; E21-K23 IonicContact OE2-NZ 3.96Å; E21-K23 PolarHBondContact OE2-NZ 3.01Å; K23-F25 HydrophobicContact CB-CE2 4.24Å
24	I	95.3	Very high	93.8	Very high	95 Å²	95	56.7 Å²	56.7	49%	0.487	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.5	-179.9	-58	175.1	0	0	0	109	R16 L17 Y18	R16-I24 HydrophobicContact CG-CG2 3.49Å; R16-I24 VanDerWaalsContact CG-CG2 3.49Å; L17-I24 WeakPolarHBondContact O-CA 3.36Å; Y18-I24 HydrophobicContact CD1-CD1 3.89Å; Y18-I24 HydrophobicContact CD1-CG1 3.89Å; Y18-I24 HydrophobicContact CE1-CD1 3.74Å; Y18-I24 HydrophobicContact CE1-CG1 4.2Å
25	F	95.7	Very high	93.6	Very high	73 Å²	73	64.5 Å²	64.5	32%	0.32	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.4	172.1	-63.9	-84.9	0	0	0	109.4	R16 L17 K23 L41 T52 V54	R16-F25 CarbonylContact C-O 3.49Å; R16-F25 WeakPolarHBondContact CA-O 3.33Å; L17-F25 PolarHBondContact N-O 3.48Å; L17-F25 PolarHBondContact O-N 3.14Å; K23-F25 HydrophobicContact CB-CE2 4.24Å; F25-L41 HydrophobicContact CB-CD1 4.01Å; F25-T52 HydrophobicContact CD1-CG2 3.84Å; F25-T52 HydrophobicContact CE1-CG2 4.02Å; F25-V54 HydrophobicContact CB-CG2 3.84Å; F25-V54 HydrophobicContact CD1-CG2 4.17Å; F25-V54 HydrophobicContact CD2-CG1 4.13Å; F25-V54 HydrophobicContact CD2-CG2 3.85Å; F25-V54 HydrophobicContact CE2-CG2 4.46Å; F25-V54 HydrophobicContact CG-CG2 3.68Å
26	S	94.7	Very high	93.4	Very high	41 Å²	41	67.3 Å²	67.3	29%	0.287	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.3	177.2	-156	0	0	0	0	109.4	M14 I15 S43	M14-S26 WeakPolarHBondContact CE-OG 3.29Å; I15-S26 VanDerWaalsContact O-CA 3.31Å; I15-S26 WeakPolarHBondContact O-CA 3.42Å; I15-S26 PolarHBondContact O-OG 3.39Å; S26-S43 VanDerWaalsContact O-CB 3.25Å; S26-S43 WeakPolarHBondContact O-CB 3.37Å
27	G	95.4	Very high	93.2	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	169.6	179.5	0	0	0	0	0	111.9	M14 I15 F42	M14-G27 WeakPolarHBondContact SD-CA 3.41Å; I15-G27 PolarHBondContact N-O 2.81Å; I15-G27 PolarHBondContact O-N 3.33Å; G27-F42 CarbonylContact C-O 3.56Å; G27-F42 WeakPolarHBondContact CA-O 3.39Å
28	F	95.7	Very high	93.2	Very high	17 Å²	17	65.7 Å²	65.7	8%	0.075	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.4	173.9	-70.7	-85.6	0	0	0	109.8	K13 M14 Y30 L41 F42 D67 I69 P70 L73 F77	K13-F28 WeakPolarHBondContact O-CA 3.48Å; M14-F28 HydrophobicContact CB-CD1 4.02Å; M14-F28 HydrophobicContact CB-CE1 3.7Å; M14-F28 HydrophobicContact CB-CZ 3.98Å; M14-F28 HydrophobicContact CG-CZ 4.46Å; M14-F28 HydrophobicContact SD-CD2 3.82Å; M14-F28 HydrophobicContact SD-CE2 3.79Å; M14-F28 HydrophobicContact SD-CG 4.22Å; M14-F28 HydrophobicContact SD-CZ 4.15Å; F28-Y30 PolarHBondContact O-N 2.91Å; F28-L41 CarbonylContact O-C 3.6Å; F28-L41 WeakPolarHBondContact O-CA 3.29Å; F28-F42 PolarHBondContact N-O 3.37Å; F28-F42 PolarHBondContact O-N 2.88Å; F28-D67 HydrophobicContact CE1-CB 4.44Å; F28-D67 HydrophobicContact CZ-CB 4.21Å; F28-I69 HydrophobicContact CD1-CB 4.06Å; F28-I69 HydrophobicContact CD1-CG1 4.02Å; F28-I69 HydrophobicContact CE1-CB 4.06Å; F28-I69 HydrophobicContact CE1-CG1 4.35Å; F28-I69 HydrophobicContact CG-CG1 4.42Å; F28-P70 VanDerWaalsContact CE2-CD 3.48Å; F28-P70 HydrophobicContact CE2-CG 4.07Å; F28-P70 HydrophobicContact CZ-CG 4.18Å; F28-L73 HydrophobicContact CB-CD2 3.49Å; F28-L73 VanDerWaalsContact CB-CD2 3.49Å; F28-L73 HydrophobicContact CD2-CD2 3.5Å; F28-L73 VanDerWaalsContact CD2-CD2 3.5Å; F28-L73 HydrophobicContact CE2-CD2 4.44Å; F28-L73 HydrophobicContact CG-CD2 3.61Å; F28-F77 HydrophobicContact CB-CZ 4.31Å
29	L	95.1	Very high	93.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.2	179.2	-177.6	64.4	0	0	0	110.1	P7 L10 I11 D12 K13 I15 T31 V32 Y39 L41	P7-L29 WeakPolarHBondContact O-CD2 3.37Å; L10-L29 HydrophobicContact CB-CD2 3.84Å; I11-L29 HydrophobicContact CG1-CD2 4.48Å; D12-L29 PolarHBondContact N-O 3.37Å; K13-L29 PolarHBondContact O-N 3.46Å; I15-L29 HydrophobicContact CD1-CB 4.11Å; I15-L29 HydrophobicContact CD1-CD1 4.26Å; I15-L29 HydrophobicContact CD1-CD2 4.17Å; I15-L29 HydrophobicContact CD1-CG 4.42Å; I15-L29 HydrophobicContact CG1-CB 4.31Å; L29-T31 WeakPolarHBondContact CD1-O 3.26Å; L29-V32 HydrophobicContact CD1-CG2 3.96Å; L29-V32 HydrophobicContact CD2-CG2 3.79Å; L29-V32 HydrophobicContact CG-CG2 4.29Å; L29-Y39 HydrophobicContact CD1-CD1 3.94Å; L29-L41 HydrophobicContact CB-CD2 4.16Å; L29-L41 HydrophobicContact CD1-CD2 3.79Å
30	Y	93.9	Very high	93.2	Very high	55 Å²	55	64 Å²	64	22%	0.216	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-50.7	174.3	172.2	-118.8	0	0	0	111.5	I11 F28 V40 F42 F77 F80	I11-Y30 WeakPolarHBondContact CG2-O 3.45Å; F28-Y30 PolarHBondContact O-N 2.91Å; Y30-V40 HydrophobicContact CD1-CG1 4.17Å; Y30-V40 PolarHBondContact N-O 3.24Å; Y30-F42 HydrophobicContact CD1-CE2 4.21Å; Y30-F42 AromaticContact CG-CE2 4Å; Y30-F42 HydrophobicContact CG-CE2 4Å; Y30-F77 HydrophobicContact CD2-CB 3.99Å; Y30-F77 AromaticContact CD2-CD1 3.52Å; Y30-F77 HydrophobicContact CD2-CD1 3.52Å; Y30-F77 AromaticContact CD2-CD2 3.73Å; Y30-F77 HydrophobicContact CD2-CD2 3.73Å; Y30-F77 AromaticContact CD2-CE1 3.83Å; Y30-F77 HydrophobicContact CD2-CE1 3.83Å; Y30-F77 HydrophobicContact CD2-CE2 4Å; Y30-F77 AromaticContact CD2-CG 3.48Å; Y30-F77 HydrophobicContact CD2-CG 3.48Å; Y30-F77 VanDerWaalsContact CD2-CG 3.48Å; Y30-F77 HydrophobicContact CD2-CZ 4.06Å; Y30-F77 HydrophobicContact CE2-CB 3.98Å; Y30-F77 HydrophobicContact CE2-CD1 4.18Å; Y30-F77 HydrophobicContact CE2-CD2 4.49Å; Y30-F77 AromaticContact CE2-CG 3.99Å; Y30-F77 HydrophobicContact CE2-CG 3.99Å; Y30-F77 HydrophobicContact CG-CD1 4.2Å; Y30-F77 HydrophobicContact CG-CE1 4.1Å; Y30-F77 HydrophobicContact CG-CZ 4.28Å; Y30-F80 HydrophobicContact CD2-CD2 4.42Å; Y30-F80 HydrophobicContact CE1-CD2 4.11Å; Y30-F80 HydrophobicContact CE2-CB 4.41Å; Y30-F80 AromaticContact CE2-CD2 3.84Å; Y30-F80 HydrophobicContact CE2-CD2 3.84Å; Y30-F80 AromaticContact CZ-CD2 3.68Å; Y30-F80 WeakPolarHBondContact OH-CB 3.37Å
31	T	93.5	Very high	93.3	Very high	55 Å²	55	60.7 Å²	60.7	34%	0.337	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	166.7	-179.4	-165	0	0	0	0	111.3	L29 V40	L29-T31 WeakPolarHBondContact CD1-O 3.26Å; T31-V40 HydrophobicContact CG2-CB 3.94Å; T31-V40 HydrophobicContact CG2-CG2 3.7Å; T31-V40 PolarHBondContact O-N 3.34Å
32	V	93.1	Very high	93.5	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.085	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.7	172.8	-176.8	0	0	0	0	107.1	P7 L29 P34 N38 Y39	P7-V32 HydrophobicContact CB-CG1 4.49Å; P7-V32 HydrophobicContact CB-CG2 3.99Å; P7-V32 HydrophobicContact CG-CG1 4.06Å; P7-V32 HydrophobicContact CG-CG2 4.34Å; L29-V32 HydrophobicContact CD1-CG2 3.96Å; L29-V32 HydrophobicContact CD2-CG2 3.79Å; L29-V32 HydrophobicContact CG-CG2 4.29Å; V32-P34 WeakPolarHBondContact O-CD 3.45Å; V32-N38 VanDerWaalsContact CA-O 3.3Å; V32-N38 WeakPolarHBondContact CA-O 3.36Å; V32-Y39 HydrophobicContact CG2-CD1 4.03Å; V32-Y39 HydrophobicContact CG2-CE1 4.37Å
33	D	90.6	Very high	93.7	Very high	56 Å²	56	48.1 Å²	48.1	30%	0.299	26%	0.256	S	S	.	.			trans	-62.9	118.5	176.2	171.1	13.8	0	0	0	109.3	K35 T36 G37 N38	D33-K35 PolarHBondContact O-N 2.91Å; D33-K35 VanDerWaalsContact O-N 3.16Å; D33-K35 PolarHBondContact OD1-N 3.49Å; D33-T36 WeakPolarHBondContact CB-OG1 3.41Å; D33-T36 VanDerWaalsContact CG-OG1 3.26Å; D33-T36 WeakPolarHBondContact OD2-CB 3.28Å; D33-T36 VanDerWaalsContact OD2-CG2 3.3Å; D33-T36 WeakPolarHBondContact OD2-CG2 3.31Å; D33-T36 PolarHBondContact OD2-N 3.39Å; D33-T36 PolarHBondContact OD2-OG1 2.86Å; D33-G37 WeakPolarHBondContact O-CA 3.5Å; D33-G37 PolarHBondContact O-N 2.98Å; D33-N38 HydrophobicContact CB-CB 4.46Å; D33-N38 PolarHBondContact N-O 3.5Å
34	P	88.9	Confident	93.5	Very high	128 Å²	128	49.8 Å²	49.8	83%	0.831	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.1	-177.5	26.7	-36.2	0	0	0	113.6	V32	V32-P34 WeakPolarHBondContact O-CD 3.45Å
35	K	88.8	Confident	93.1	Very high	196 Å²	196	49.9 Å²	49.9	85%	0.852	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-48.3	-179.9	-68.5	-175.5	179	178.9	0	112.6	D33	D33-K35 PolarHBondContact O-N 2.91Å; D33-K35 VanDerWaalsContact O-N 3.16Å; D33-K35 PolarHBondContact OD1-N 3.49Å
36	T	91.2	Very high	92.7	Very high	59 Å²	59	53.5 Å²	53.5	36%	0.362	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-18.5	-175.5	60.9	0	0	0	0	113.2	D33 N38 R56	D33-T36 WeakPolarHBondContact CB-OG1 3.41Å; D33-T36 VanDerWaalsContact CG-OG1 3.26Å; D33-T36 WeakPolarHBondContact OD2-CB 3.28Å; D33-T36 VanDerWaalsContact OD2-CG2 3.3Å; D33-T36 WeakPolarHBondContact OD2-CG2 3.31Å; D33-T36 PolarHBondContact OD2-N 3.39Å; D33-T36 PolarHBondContact OD2-OG1 2.86Å; T36-N38 PolarHBondContact O-N 2.98Å; T36-N38 WeakPolarHBondContact OG1-CB 3.39Å; T36-N38 PolarHBondContact OG1-N 3.06Å; T36-N38 PolarHBondContact OG1-ND2 2.98Å; T36-R56 WeakPolarHBondContact O-CB 3.38Å
37	G	91.2	Very high	92.2	Very high	19 Å²	19	58 Å²	58	20%	0.196	30%	0.298	C	S	.	.			trans	73.7	9	-171.2	0	0	0	0	0	113.8	D33 R56	D33-G37 WeakPolarHBondContact O-CA 3.5Å; D33-G37 PolarHBondContact O-N 2.98Å; G37-R56 WeakPolarHBondContact O-CB 3.38Å
38	N	94.5	Very high	91.8	Very high	29 Å²	29	65.2 Å²	65.2	16%	0.155	33%	0.329	C	S	.	.			trans	-65	136.2	-177.1	-67.6	-17.4	0	0	0	111.2	V32 D33 T36 I53 V54 R55 R56	V32-N38 VanDerWaalsContact CA-O 3.3Å; V32-N38 WeakPolarHBondContact CA-O 3.36Å; D33-N38 HydrophobicContact CB-CB 4.46Å; D33-N38 PolarHBondContact N-O 3.5Å; T36-N38 PolarHBondContact O-N 2.98Å; T36-N38 WeakPolarHBondContact OG1-CB 3.39Å; T36-N38 PolarHBondContact OG1-N 3.06Å; T36-N38 PolarHBondContact OG1-ND2 2.98Å; N38-I53 HydrophobicContact CB-CG2 4.22Å; N38-V54 WeakPolarHBondContact CA-O 3.37Å; N38-R55 VanDerWaalsContact OD1-CA 3.23Å; N38-R55 WeakPolarHBondContact OD1-CA 3.3Å; N38-R56 PolarHBondContact OD1-N 2.91Å; N38-R56 VanDerWaalsContact OD1-N 3.09Å
39	Y	95.1	Very high	91.6	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.5	179.8	-57.9	-92.5	0	0	0	110.1	P7 I15 L17 L29 V32 I53 V54 V59 L62	P7-Y39 HydrophobicContact CB-CE1 3.8Å; I15-Y39 HydrophobicContact CD1-CD1 4.22Å; L17-Y39 HydrophobicContact CD1-CD1 4.34Å; L17-Y39 HydrophobicContact CD1-CD2 3.79Å; L17-Y39 HydrophobicContact CD1-CE2 4.47Å; L17-Y39 HydrophobicContact CD1-CG 3.72Å; L17-Y39 HydrophobicContact CD2-CE1 4.48Å; L29-Y39 HydrophobicContact CD1-CD1 3.94Å; V32-Y39 HydrophobicContact CG2-CD1 4.03Å; V32-Y39 HydrophobicContact CG2-CE1 4.37Å; Y39-I53 CarbonylContact O-C 3.54Å; Y39-I53 WeakPolarHBondContact O-CA 3.44Å; Y39-V54 PolarHBondContact N-O 3.35Å; Y39-V54 PolarHBondContact O-N 3.21Å; Y39-V59 HydrophobicContact CD2-CG2 4.1Å; Y39-V59 HydrophobicContact CE2-CB 4.4Å; Y39-V59 HydrophobicContact CE2-CG2 3.94Å; Y39-L62 HydrophobicContact CE1-CD1 3.92Å
40	V	95.7	Very high	91.5	Very high	27 Å²	27	70 Å²	70	16%	0.164	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.2	170.6	-174.6	0	0	0	0	108.3	Y30 T31 F42 I53	Y30-V40 HydrophobicContact CD1-CG1 4.17Å; Y30-V40 PolarHBondContact N-O 3.24Å; T31-V40 HydrophobicContact CG2-CB 3.94Å; T31-V40 HydrophobicContact CG2-CG2 3.7Å; T31-V40 PolarHBondContact O-N 3.34Å; V40-F42 HydrophobicContact CG1-CE2 4.09Å; V40-I53 HydrophobicContact CG2-CG1 4.44Å
41	L	95.7	Very high	91.5	Very high	2 Å²	2	71.5 Å²	71.5	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	147.8	-179.2	-56.7	-176.4	0	0	0	111	I15 L17 F25 F28 L29 P51 T52 V54	I15-L41 HydrophobicContact CD1-CD2 3.78Å; I15-L41 HydrophobicContact CG1-CD2 3.64Å; L17-L41 HydrophobicContact CD1-CD1 3.81Å; L17-L41 HydrophobicContact CD1-CG 4.43Å; L17-L41 HydrophobicContact CG-CD1 4.23Å; F25-L41 HydrophobicContact CB-CD1 4.01Å; F28-L41 CarbonylContact O-C 3.6Å; F28-L41 WeakPolarHBondContact O-CA 3.29Å; L29-L41 HydrophobicContact CB-CD2 4.16Å; L29-L41 HydrophobicContact CD1-CD2 3.79Å; L41-P51 CarbonylContact O-C 3.56Å; L41-P51 WeakPolarHBondContact O-CA 3.33Å; L41-T52 PolarHBondContact N-O 2.86Å; L41-T52 PolarHBondContact O-N 2.94Å; L41-V54 HydrophobicContact CD1-CG2 4.12Å
42	F	95.5	Very high	91.5	Very high	10 Å²	10	70.9 Å²	70.9	4%	0.044	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.9	166.9	-79.1	-105	0	0	0	109.9	G27 F28 Y30 V40 Q50 P51 L73 I76 F77 F80	G27-F42 CarbonylContact C-O 3.56Å; G27-F42 WeakPolarHBondContact CA-O 3.39Å; F28-F42 PolarHBondContact N-O 3.37Å; F28-F42 PolarHBondContact O-N 2.88Å; Y30-F42 HydrophobicContact CD1-CE2 4.21Å; Y30-F42 AromaticContact CG-CE2 4Å; Y30-F42 HydrophobicContact CG-CE2 4Å; V40-F42 HydrophobicContact CG1-CE2 4.09Å; F42-Q50 WeakPolarHBondContact CA-O 3.42Å; F42-P51 HydrophobicContact CD1-CB 4.38Å; F42-P51 HydrophobicContact CE1-CB 3.87Å; F42-P51 HydrophobicContact CE1-CG 4.33Å; F42-P51 HydrophobicContact CE2-CB 4.12Å; F42-P51 HydrophobicContact CZ-CB 3.72Å; F42-P51 HydrophobicContact CZ-CG 4.47Å; F42-L73 HydrophobicContact CB-CD1 3.72Å; F42-L73 HydrophobicContact CB-CD2 3.99Å; F42-L73 HydrophobicContact CB-CG 4.48Å; F42-L73 HydrophobicContact CD1-CD1 3.9Å; F42-L73 HydrophobicContact CG-CD1 3.94Å; F42-I76 HydrophobicContact CE1-CG2 4.18Å; F42-F77 HydrophobicContact CB-CE1 4.15Å; F42-F77 HydrophobicContact CB-CZ 4.34Å; F42-F77 HydrophobicContact CD1-CE1 4.34Å; F42-F77 AromaticContact CD2-CE1 3.46Å; F42-F77 HydrophobicContact CD2-CE1 3.46Å; F42-F77 VanDerWaalsContact CD2-CE1 3.46Å; F42-F77 AromaticContact CD2-CZ 3.97Å; F42-F77 HydrophobicContact CD2-CZ 3.97Å; F42-F77 AromaticContact CE2-CE1 3.84Å; F42-F77 HydrophobicContact CE2-CE1 3.84Å; F42-F77 AromaticContact CG-CE1 3.73Å; F42-F77 HydrophobicContact CG-CE1 3.73Å; F42-F77 HydrophobicContact CG-CZ 4.32Å; F42-F77 HydrophobicContact CZ-CE1 4.42Å; F42-F80 HydrophobicContact CE1-CE2 4.11Å; F42-F80 HydrophobicContact CE1-CZ 4.26Å; F42-F80 HydrophobicContact CE2-CE2 4.22Å; F42-F80 AromaticContact CZ-CE2 3.48Å; F42-F80 HydrophobicContact CZ-CE2 3.48Å; F42-F80 VanDerWaalsContact CZ-CE2 3.48Å; F42-F80 AromaticContact CZ-CZ 3.87Å; F42-F80 HydrophobicContact CZ-CZ 3.87Å
43	S	93	Very high	91.7	Very high	27 Å²	27	75.8 Å²	75.8	19%	0.189	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.9	177.6	65.5	0	0	0	0	110.1	S26 M45 Y49 Q50	S26-S43 VanDerWaalsContact O-CB 3.25Å; S26-S43 WeakPolarHBondContact O-CB 3.37Å; S43-M45 PolarHBondContact O-N 2.77Å; S43-Y49 CarbonylContact O-C 3.58Å; S43-Y49 WeakPolarHBondContact O-CA 3.36Å; S43-Q50 PolarHBondContact N-O 2.91Å; S43-Q50 PolarHBondContact O-N 3.39Å
44	R	90.8	Very high	91.9	Very high	138 Å²	138	73.3 Å²	73.3	52%	0.521	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.8	177.6	-169.2	174.4	-176.5	152.4	3.4	109.2	E47 K48 Y49	R44-E47 IonicContact CZ-OE2 3.81Å; R44-E47 IonicContact NE-OE2 3.63Å; R44-E47 IonicContact NH2-OE2 2.71Å; R44-E47 PolarHBondContact NH2-OE2 2.97Å; R44-K48 WeakPolarHBondContact CA-O 3.29Å; R44-Y49 HydrophobicContact CB-CD1 4.38Å; R44-Y49 HydrophobicContact CB-CE1 4.13Å
45	M	87.5	Confident	92.2	Very high	98 Å²	98	74 Å²	74	48%	0.483	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.6	172.8	-62.3	-147.2	76.1	0	0	109.3	S43 E47 K48 Q50	S43-M45 PolarHBondContact O-N 2.77Å; M45-E47 PolarHBondContact O-N 3.31Å; M45-K48 PolarHBondContact N-O 3.06Å; M45-K48 PolarHBondContact O-N 3.19Å; M45-K48 VanDerWaalsContact O-N 3.11Å; M45-Q50 HydrophobicContact CB-CG 4.33Å
46	N	86.5	Confident	92.4	Very high	149 Å²	149	68.3 Å²	68.3	80%	0.797	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	52.9	-178.9	-57.8	-32.8	0	0	0	113.1	K48	N46-K48 PolarHBondContact O-N 2.8Å
47	E	84.1	Confident	92.5	Very high	134 Å²	134	71.5 Å²	71.5	63%	0.626	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	2.9	-179.1	-55.7	-56.1	121.8	0	0	116.3	R44 M45	R44-E47 IonicContact CZ-OE2 3.81Å; R44-E47 IonicContact NE-OE2 3.63Å; R44-E47 IonicContact NH2-OE2 2.71Å; R44-E47 PolarHBondContact NH2-OE2 2.97Å; M45-E47 PolarHBondContact O-N 3.31Å
48	K	88.2	Confident	92.6	Very high	152 Å²	152	71.7 Å²	71.7	66%	0.661	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.8	178.3	-64.5	-175	179.4	-176.7	0	111.3	R44 M45 N46	R44-K48 WeakPolarHBondContact CA-O 3.29Å; M45-K48 PolarHBondContact N-O 3.06Å; M45-K48 PolarHBondContact O-N 3.19Å; M45-K48 VanDerWaalsContact O-N 3.11Å; N46-K48 PolarHBondContact O-N 2.8Å
49	Y	91.2	Very high	92.6	Very high	30 Å²	30	70.6 Å²	70.6	12%	0.118	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.3	170.6	-69	-80.6	0	0	0	110.5	S43 R44 P70 E72 L73 I76	S43-Y49 CarbonylContact O-C 3.58Å; S43-Y49 WeakPolarHBondContact O-CA 3.36Å; R44-Y49 HydrophobicContact CB-CD1 4.38Å; R44-Y49 HydrophobicContact CB-CE1 4.13Å; Y49-P70 VanDerWaalsContact OH-CB 3.22Å; Y49-P70 WeakPolarHBondContact OH-CB 3.48Å; Y49-P70 WeakPolarHBondContact OH-CG 3.39Å; Y49-E72 HydrophobicContact CD2-CG 4.48Å; Y49-E72 HydrophobicContact CE2-CB 4.26Å; Y49-E72 HydrophobicContact CE2-CG 4.22Å; Y49-L73 HydrophobicContact CD1-CB 4.36Å; Y49-L73 HydrophobicContact CD1-CD1 3.79Å; Y49-L73 HydrophobicContact CD1-CD2 3.9Å; Y49-L73 HydrophobicContact CD1-CG 4.25Å; Y49-L73 HydrophobicContact CD2-CB 4.23Å; Y49-L73 HydrophobicContact CD2-CD1 4.13Å; Y49-L73 HydrophobicContact CE1-CB 4.13Å; Y49-L73 HydrophobicContact CE1-CD1 4.38Å; Y49-L73 HydrophobicContact CE1-CD2 3.85Å; Y49-L73 HydrophobicContact CE1-CG 4.36Å; Y49-L73 HydrophobicContact CE2-CB 4Å; Y49-L73 HydrophobicContact CG-CB 4.42Å; Y49-L73 HydrophobicContact CG-CD1 3.66Å; Y49-L73 HydrophobicContact CG-CG 4.44Å; Y49-I76 HydrophobicContact CD2-CD1 4Å; Y49-I76 HydrophobicContact CG-CD1 4.39Å
50	Q	92.1	Very high	92.5	Very high	87 Å²	87	76.3 Å²	76.3	41%	0.407	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.8	177.4	-67.4	-172	-22.2	0	0	110.3	F42 S43 M45	F42-Q50 WeakPolarHBondContact CA-O 3.42Å; S43-Q50 PolarHBondContact N-O 2.91Å; S43-Q50 PolarHBondContact O-N 3.39Å; M45-Q50 HydrophobicContact CB-CG 4.33Å
51	P	93.7	Very high	92.3	Very high	87 Å²	87	80 Å²	80	57%	0.565	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	137.2	174.2	29.1	-32.5	0	0	0	110.6	L41 F42	L41-P51 CarbonylContact O-C 3.56Å; L41-P51 WeakPolarHBondContact O-CA 3.33Å; F42-P51 HydrophobicContact CD1-CB 4.38Å; F42-P51 HydrophobicContact CE1-CB 3.87Å; F42-P51 HydrophobicContact CE1-CG 4.33Å; F42-P51 HydrophobicContact CE2-CB 4.12Å; F42-P51 HydrophobicContact CZ-CB 3.72Å; F42-P51 HydrophobicContact CZ-CG 4.47Å
52	T	94.7	Very high	92.1	Very high	42 Å²	42	80.3 Å²	80.3	26%	0.258	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126	172.3	-59.4	0	0	0	0	108.9	F25 L41 V54	F25-T52 HydrophobicContact CD1-CG2 3.84Å; F25-T52 HydrophobicContact CE1-CG2 4.02Å; L41-T52 PolarHBondContact N-O 2.86Å; L41-T52 PolarHBondContact O-N 2.94Å; T52-V54 HydrophobicContact CG2-CG2 4.13Å
53	I	96.3	Very high	92	Very high	118 Å²	118	82.7 Å²	82.7	61%	0.605	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.3	175.6	-55.8	176.3	0	0	0	108.4	N38 Y39 V40	N38-I53 HydrophobicContact CB-CG2 4.22Å; Y39-I53 CarbonylContact O-C 3.54Å; Y39-I53 WeakPolarHBondContact O-CA 3.44Å; V40-I53 HydrophobicContact CG2-CG1 4.44Å
54	V	95.7	Very high	91.9	Very high	3 Å²	3	82.7 Å²	82.7	2%	0.018	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.2	177.1	-174.3	0	0	0	0	108.8	L17 F25 N38 Y39 L41 T52 V58 V59	L17-V54 HydrophobicContact CD1-CB 3.82Å; L17-V54 HydrophobicContact CD1-CG1 3.85Å; L17-V54 HydrophobicContact CD1-CG2 4.08Å; F25-V54 HydrophobicContact CB-CG2 3.84Å; F25-V54 HydrophobicContact CD1-CG2 4.17Å; F25-V54 HydrophobicContact CD2-CG1 4.13Å; F25-V54 HydrophobicContact CD2-CG2 3.85Å; F25-V54 HydrophobicContact CE2-CG2 4.46Å; F25-V54 HydrophobicContact CG-CG2 3.68Å; N38-V54 WeakPolarHBondContact CA-O 3.37Å; Y39-V54 PolarHBondContact N-O 3.35Å; Y39-V54 PolarHBondContact O-N 3.21Å; L41-V54 HydrophobicContact CD1-CG2 4.12Å; T52-V54 HydrophobicContact CG2-CG2 4.13Å; V54-V58 HydrophobicContact CG1-CG2 4.2Å; V54-V59 HydrophobicContact CG1-CG2 3.72Å
55	R	95.2	Very high	91.9	Very high	143 Å²	143	77.7 Å²	77.7	54%	0.54	37%	0.373	S	S	.	.			trans	-68.3	139.3	-179.6	-70.1	-171.3	-66.3	142.9	-3.9	111.5	N38 E57 V58	N38-R55 VanDerWaalsContact OD1-CA 3.23Å; N38-R55 WeakPolarHBondContact OD1-CA 3.3Å; R55-E57 VanDerWaalsContact C-N 3.26Å; R55-E57 WeakPolarHBondContact CB-OE2 3.48Å; R55-E57 IonicContact NH1-OE2 3.82Å; R55-E57 PolarHBondContact O-N 3.29Å; R55-V58 HydrophobicContact CB-CG2 4.25Å; R55-V58 WeakPolarHBondContact O-CG2 3.2Å; R55-V58 PolarHBondContact O-N 2.79Å
56	R	92.6	Very high	91.5	Very high	76 Å²	76	80.6 Å²	80.6	29%	0.287	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-60.6	-37.3	-179.1	-179.7	55.3	-172.4	90.4	4.4	113	T36 G37 N38 V58 V59	T36-R56 WeakPolarHBondContact O-CB 3.38Å; G37-R56 WeakPolarHBondContact O-CB 3.38Å; N38-R56 PolarHBondContact OD1-N 2.91Å; N38-R56 VanDerWaalsContact OD1-N 3.09Å; R56-V58 PolarHBondContact O-N 3.45Å; R56-V59 PolarHBondContact NH1-O 2.8Å; R56-V59 VanDerWaalsContact NH1-O 3.11Å; R56-V59 PolarHBondContact O-N 3.3Å
57	E	92.5	Very high	91.3	Very high	126 Å²	126	77.7 Å²	77.7	59%	0.589	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-66.2	-22.3	-173.2	-51.3	93.8	-165.9	0	0	113.1	R55	R55-E57 VanDerWaalsContact C-N 3.26Å; R55-E57 WeakPolarHBondContact CB-OE2 3.48Å; R55-E57 IonicContact NH1-OE2 3.82Å; R55-E57 PolarHBondContact O-N 3.29Å
58	V	94	Very high	91.4	Very high	23 Å²	23	79.9 Å²	79.9	14%	0.139	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-92.3	-10.3	-179.7	-57.8	0	0	0	0	112.9	C19 I20 V54 R55 R56	C19-V58 CarbonylContact C-O 3.45Å; C19-V58 WeakPolarHBondContact CA-O 3.4Å; C19-V58 HydrophobicContact CB-CB 4.47Å; C19-V58 HydrophobicContact CB-CG2 4.3Å; C19-V58 VanDerWaalsContact CB-O 3.27Å; C19-V58 WeakPolarHBondContact CB-O 3.45Å; I20-V58 HydrophobicContact CD1-CB 4.08Å; I20-V58 HydrophobicContact CD1-CG1 3.78Å; I20-V58 HydrophobicContact CG1-CB 4.01Å; I20-V58 HydrophobicContact CG1-CG1 4.24Å; I20-V58 PolarHBondContact N-O 3.39Å; V54-V58 HydrophobicContact CG1-CG2 4.2Å; R55-V58 HydrophobicContact CB-CG2 4.25Å; R55-V58 WeakPolarHBondContact O-CG2 3.2Å; R55-V58 PolarHBondContact O-N 2.79Å; R56-V58 PolarHBondContact O-N 3.45Å
59	V	93.9	Very high	91.5	Very high	7 Å²	7	74.1 Å²	74.1	4%	0.042	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.5	-176.6	178.9	0	0	0	0	110.4	L3 L17 Y39 V54 R56	L3-V59 HydrophobicContact CD2-CG1 4.3Å; L17-V59 HydrophobicContact CB-CG1 4.37Å; L17-V59 HydrophobicContact CB-CG2 4.35Å; L17-V59 HydrophobicContact CD1-CG2 4.13Å; L17-V59 HydrophobicContact CD2-CG1 4.02Å; Y39-V59 HydrophobicContact CD2-CG2 4.1Å; Y39-V59 HydrophobicContact CE2-CB 4.4Å; Y39-V59 HydrophobicContact CE2-CG2 3.94Å; V54-V59 HydrophobicContact CG1-CG2 3.72Å; R56-V59 PolarHBondContact NH1-O 2.8Å; R56-V59 VanDerWaalsContact NH1-O 3.11Å; R56-V59 PolarHBondContact O-N 3.3Å
60	E	92.9	Very high	91.5	Very high	123 Å²	123	74.7 Å²	74.7	58%	0.575	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	-37.8	177.8	-61.5	-174.7	149.9	0	0	112	L3 Y18 I20	L3-E60 WeakPolarHBondContact CD1-O 3.43Å; Y18-E60 PolarHBondContact O-N 3.19Å; I20-E60 HydrophobicContact CG2-CG 4.06Å
61	K	91.9	Very high	91.4	Very high	106 Å²	106	75.1 Å²	75.1	46%	0.461	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	142.7	-177.3	176.5	-174.8	176.8	-169.1	0	111.3	Y18	Y18-K61 HydrophobicContact CD2-CB 4.09Å; Y18-K61 HydrophobicContact CD2-CD 4.07Å; Y18-K61 HydrophobicContact CD2-CG 4.03Å; Y18-K61 HydrophobicContact CE2-CD 4.39Å; Y18-K61 HydrophobicContact CG-CB 4.37Å; Y18-K61 PolarHBondContact N-O 3.35Å; Y18-K61 PolarHBondContact O-N 3.37Å
62	L	92.9	Very high	91.2	Very high	7 Å²	7	75.7 Å²	75.7	4%	0.037	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135	173.5	-176	154.1	0	0	0	110.3	M1 L3 L10 I15 L17 Y39	M1-L62 PolarHBondContact N-O 3.39Å; L3-L62 HydrophobicContact CD2-CB 4.39Å; L10-L62 HydrophobicContact CD1-CD1 3.68Å; L10-L62 HydrophobicContact CD1-CD2 3.5Å; L10-L62 HydrophobicContact CD1-CG 4.27Å; I15-L62 HydrophobicContact CD1-CD1 3.99Å; L17-L62 HydrophobicContact CD2-CB 4.11Å; L17-L62 HydrophobicContact CD2-CD1 3.7Å; L17-L62 HydrophobicContact CD2-CG 3.82Å; Y39-L62 HydrophobicContact CE1-CD1 3.92Å
63	E	92.3	Very high	91.1	Very high	61 Å²	61	73.7 Å²	73.7	29%	0.285	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.5	171.5	176.4	176	-126.2	0	0	109.1	I15 R16 Y18 L65	I15-E63 CarbonylContact C-O 3.49Å; I15-E63 WeakPolarHBondContact CA-O 3.31Å; R16-E63 HydrophobicContact CB-CB 4.31Å; R16-E63 IonicContact CZ-OE2 3Å; R16-E63 PolarHBondContact N-O 3.47Å; R16-E63 IonicContact NH1-OE2 2.72Å; R16-E63 PolarHBondContact NH1-OE2 3.06Å; R16-E63 PolarHBondContact O-N 3.06Å; Y18-E63 HydrophobicContact CE2-CB 4.05Å; Y18-E63 PolarHBondContact OH-OE2 3.22Å; Y18-E63 VanDerWaalsContact OH-OE2 3.14Å; E63-L65 HydrophobicContact CG-CD2 4.27Å
64	T	91.5	Very high	90.8	Very high	27 Å²	27	74.2 Å²	74.2	17%	0.166	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.4	173	-52.2	0	0	0	0	108.3	L10 K13 I15	L10-T64 HydrophobicContact CD2-CG2 4.31Å; L10-T64 WeakPolarHBondContact CD2-OG1 3.32Å; K13-T64 HydrophobicContact CB-CG2 4.21Å; K13-T64 HydrophobicContact CD-CG2 3.93Å; I15-T64 HydrophobicContact CG2-CG2 4.48Å
65	L	89.1	Confident	90.4	Very high	33 Å²	33	81.3 Å²	81.3	17%	0.173	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.1	173.2	-56.2	176.2	0	0	0	106.7	M14 R16 E63 D67	M14-L65 HydrophobicContact CB-CB 4Å; M14-L65 HydrophobicContact CG-CB 3.87Å; M14-L65 HydrophobicContact CG-CD1 3.81Å; M14-L65 HydrophobicContact CG-CG 4.34Å; M14-L65 PolarHBondContact O-N 3.17Å; M14-L65 VanDerWaalsContact O-O 3.06Å; R16-L65 HydrophobicContact CB-CD1 4.41Å; E63-L65 HydrophobicContact CG-CD2 4.27Å; L65-D67 PolarHBondContact O-N 2.94Å
66	D	79.6	Confident	90.1	Very high	159 Å²	159	76.7 Å²	76.7	85%	0.85	37%	0.374	S	S	*	.			trans	-79.5	47	-178.4	-71.2	-36.9	0	0	0	111.7
67	D	82.2	Confident	90	Very high	87 Å²	87	73.3 Å²	73.3	47%	0.465	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-89.8	136.8	176	-61.3	-42.5	0	0	0	110.5	M14 F28 L65	M14-D67 HydrophobicContact CB-CB 3.74Å; M14-D67 HydrophobicContact CG-CB 4.27Å; M14-D67 WeakPolarHBondContact CG-OD2 3.35Å; F28-D67 HydrophobicContact CE1-CB 4.44Å; F28-D67 HydrophobicContact CZ-CB 4.21Å; L65-D67 PolarHBondContact O-N 2.94Å
68	E	86.3	Confident	89.7	Confident	180 Å²	180	70.6 Å²	70.6	84%	0.841	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-73.1	136.2	174	-170.6	176.2	-175.5	0	0	110.6	P70	E68-P70 VanDerWaalsContact O-CD 3.29Å; E68-P70 WeakPolarHBondContact O-CD 3.29Å
69	I	90.6	Very high	89.3	Confident	31 Å²	31	72.3 Å²	72.3	16%	0.159	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-63.9	124	178	-170.4	169.9	0	0	0	110.9	D12 F28 S71 L73 F77	D12-I69 HydrophobicContact CB-CD1 4.26Å; F28-I69 HydrophobicContact CD1-CB 4.06Å; F28-I69 HydrophobicContact CD1-CG1 4.02Å; F28-I69 HydrophobicContact CE1-CB 4.06Å; F28-I69 HydrophobicContact CE1-CG1 4.35Å; F28-I69 HydrophobicContact CG-CG1 4.42Å; I69-S71 PolarHBondContact O-N 3.37Å; I69-L73 HydrophobicContact CD1-CD2 4.38Å; I69-L73 HydrophobicContact CD1-CG 4.32Å; I69-L73 HydrophobicContact CG1-CB 4.25Å; I69-L73 HydrophobicContact CG1-CD2 4.24Å; I69-L73 HydrophobicContact CG1-CG 4.37Å; I69-F77 HydrophobicContact CD1-CD2 3.73Å; I69-F77 HydrophobicContact CD1-CE2 3.56Å; I69-F77 HydrophobicContact CD1-CZ 4.36Å
70	P	91.4	Very high	88.7	Confident	43 Å²	43	76 Å²	76	28%	0.279	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-61.9	138.2	178.2	-28.9	39.5	0	0	0	111.3	F28 Y49 E68 E72 L73 R74	F28-P70 VanDerWaalsContact CE2-CD 3.48Å; F28-P70 HydrophobicContact CE2-CG 4.07Å; F28-P70 HydrophobicContact CZ-CG 4.18Å; Y49-P70 VanDerWaalsContact OH-CB 3.22Å; Y49-P70 WeakPolarHBondContact OH-CB 3.48Å; Y49-P70 WeakPolarHBondContact OH-CG 3.39Å; E68-P70 VanDerWaalsContact O-CD 3.29Å; E68-P70 WeakPolarHBondContact O-CD 3.29Å; P70-E72 PolarHBondContact O-N 3.3Å; P70-E72 VanDerWaalsContact O-N 3.09Å; P70-L73 WeakPolarHBondContact O-CB 3.41Å; P70-L73 PolarHBondContact O-N 2.82Å; P70-R74 PolarHBondContact O-N 3.08Å
71	S	89.7	Confident	87.6	Confident	95 Å²	95	74.1 Å²	74.1	66%	0.664	38%	0.377	S	S	*	.	H	α-helix	trans	-58.7	-28.9	-176.5	-41.2	0	0	0	0	113.5	I69 K75	I69-S71 PolarHBondContact O-N 3.37Å; S71-K75 WeakPolarHBondContact O-CG 3.47Å; S71-K75 PolarHBondContact O-N 2.71Å
72	E	90.7	Very high	86	Confident	100 Å²	100	72.3 Å²	72.3	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-43.5	172.9	-176.3	-177.7	-172.2	0	0	111.9	Y49 P70 K75 I76	Y49-E72 HydrophobicContact CD2-CG 4.48Å; Y49-E72 HydrophobicContact CE2-CB 4.26Å; Y49-E72 HydrophobicContact CE2-CG 4.22Å; P70-E72 PolarHBondContact O-N 3.3Å; P70-E72 VanDerWaalsContact O-N 3.09Å; E72-K75 WeakPolarHBondContact O-CB 3.22Å; E72-K75 PolarHBondContact O-N 2.97Å; E72-I76 WeakPolarHBondContact O-CG1 3.44Å; E72-I76 PolarHBondContact O-N 3.09Å
73	L	91.2	Very high	84.2	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-71.2	-37.3	179.6	-173.9	58.8	0	0	0	111.7	F28 F42 Y49 I69 P70 K75 I76 F77	F28-L73 HydrophobicContact CB-CD2 3.49Å; F28-L73 VanDerWaalsContact CB-CD2 3.49Å; F28-L73 HydrophobicContact CD2-CD2 3.5Å; F28-L73 VanDerWaalsContact CD2-CD2 3.5Å; F28-L73 HydrophobicContact CE2-CD2 4.44Å; F28-L73 HydrophobicContact CG-CD2 3.61Å; F42-L73 HydrophobicContact CB-CD1 3.72Å; F42-L73 HydrophobicContact CB-CD2 3.99Å; F42-L73 HydrophobicContact CB-CG 4.48Å; F42-L73 HydrophobicContact CD1-CD1 3.9Å; F42-L73 HydrophobicContact CG-CD1 3.94Å; Y49-L73 HydrophobicContact CD1-CB 4.36Å; Y49-L73 HydrophobicContact CD1-CD1 3.79Å; Y49-L73 HydrophobicContact CD1-CD2 3.9Å; Y49-L73 HydrophobicContact CD1-CG 4.25Å; Y49-L73 HydrophobicContact CD2-CB 4.23Å; Y49-L73 HydrophobicContact CD2-CD1 4.13Å; Y49-L73 HydrophobicContact CE1-CB 4.13Å; Y49-L73 HydrophobicContact CE1-CD1 4.38Å; Y49-L73 HydrophobicContact CE1-CD2 3.85Å; Y49-L73 HydrophobicContact CE1-CG 4.36Å; Y49-L73 HydrophobicContact CE2-CB 4Å; Y49-L73 HydrophobicContact CG-CB 4.42Å; Y49-L73 HydrophobicContact CG-CD1 3.66Å; Y49-L73 HydrophobicContact CG-CG 4.44Å; I69-L73 HydrophobicContact CD1-CD2 4.38Å; I69-L73 HydrophobicContact CD1-CG 4.32Å; I69-L73 HydrophobicContact CG1-CB 4.25Å; I69-L73 HydrophobicContact CG1-CD2 4.24Å; I69-L73 HydrophobicContact CG1-CG 4.37Å; P70-L73 WeakPolarHBondContact O-CB 3.41Å; P70-L73 PolarHBondContact O-N 2.82Å; L73-K75 VanDerWaalsContact C-N 3.29Å; L73-K75 PolarHBondContact O-N 3.43Å; L73-I76 HydrophobicContact CD1-CB 4.32Å; L73-I76 HydrophobicContact CD1-CD1 4.17Å; L73-I76 WeakPolarHBondContact O-CA 3.43Å; L73-I76 WeakPolarHBondContact O-CB 3.36Å; L73-I76 PolarHBondContact O-N 3.14Å; L73-F77 HydrophobicContact CD1-CD1 4.01Å; L73-F77 HydrophobicContact CD1-CE1 3.49Å; L73-F77 VanDerWaalsContact CD1-CE1 3.49Å; L73-F77 HydrophobicContact CD1-CZ 4.11Å; L73-F77 HydrophobicContact CD2-CE1 4.19Å; L73-F77 HydrophobicContact CD2-CZ 3.95Å; L73-F77 HydrophobicContact CG-CD1 4.19Å; L73-F77 HydrophobicContact CG-CE1 3.69Å; L73-F77 HydrophobicContact CG-CE2 4.48Å; L73-F77 HydrophobicContact CG-CZ 3.86Å; L73-F77 WeakPolarHBondContact O-CD1 3.07Å; L73-F77 PolarHBondContact O-N 3.39Å
74	R	89.8	Confident	82	Confident	128 Å²	128	82.7 Å²	82.7	48%	0.483	43%	0.434	S	S	.	.	H	α-helix	trans	-53.4	-47.2	171.3	-174.9	76	-169.1	-83.6	-1.1	111.1	P70 I76 F77 D78	P70-R74 PolarHBondContact O-N 3.08Å; R74-I76 VanDerWaalsContact C-N 3.3Å; R74-I76 PolarHBondContact O-N 3.42Å; R74-F77 PolarHBondContact O-N 2.96Å; R74-F77 VanDerWaalsContact O-N 3.13Å; R74-D78 IonicContact NE-OD1 3.6Å; R74-D78 IonicContact NE-OD2 3.56Å; R74-D78 PolarHBondContact O-N 3.45Å
75	K	88.2	Confident	79.8	Confident	153 Å²	153	89.3 Å²	89.3	67%	0.665	46%	0.463	S	S	*	.	H	α-helix	trans	-60.5	-37.5	175.8	-70.4	173.7	-177.4	-177.2	0	112.8	S71 E72 L73 S79	S71-K75 WeakPolarHBondContact O-CG 3.47Å; S71-K75 PolarHBondContact O-N 2.71Å; E72-K75 WeakPolarHBondContact O-CB 3.22Å; E72-K75 PolarHBondContact O-N 2.97Å; L73-K75 VanDerWaalsContact C-N 3.29Å; L73-K75 PolarHBondContact O-N 3.43Å; K75-S79 WeakPolarHBondContact O-CB 3.35Å; K75-S79 PolarHBondContact O-N 2.91Å
76	I	89.1	Confident	77.4	Confident	45 Å²	45	92 Å²	92	23%	0.231	48%	0.484	C	S	.	.	H	α-helix	trans	-64.6	-45	175.5	-64.9	168.6	0	0	0	109.8	F42 Y49 E72 L73 R74 S79 F80	F42-I76 HydrophobicContact CE1-CG2 4.18Å; Y49-I76 HydrophobicContact CD2-CD1 4Å; Y49-I76 HydrophobicContact CG-CD1 4.39Å; E72-I76 WeakPolarHBondContact O-CG1 3.44Å; E72-I76 PolarHBondContact O-N 3.09Å; L73-I76 HydrophobicContact CD1-CB 4.32Å; L73-I76 HydrophobicContact CD1-CD1 4.17Å; L73-I76 WeakPolarHBondContact O-CA 3.43Å; L73-I76 WeakPolarHBondContact O-CB 3.36Å; L73-I76 PolarHBondContact O-N 3.14Å; R74-I76 VanDerWaalsContact C-N 3.3Å; R74-I76 PolarHBondContact O-N 3.42Å; I76-S79 WeakPolarHBondContact O-CB 3.37Å; I76-S79 PolarHBondContact O-N 2.84Å; I76-S79 PolarHBondContact O-OG 3.41Å; I76-F80 HydrophobicContact CG2-CD2 4.43Å; I76-F80 HydrophobicContact CG2-CE1 4.48Å; I76-F80 HydrophobicContact CG2-CE2 3.5Å; I76-F80 HydrophobicContact CG2-CZ 3.52Å; I76-F80 VanDerWaalsContact O-CD2 3.29Å; I76-F80 WeakPolarHBondContact O-CD2 3.36Å; I76-F80 PolarHBondContact O-N 3.29Å
77	F	90.3	Very high	75.6	Confident	6 Å²	6	89.1 Å²	89.1	3%	0.026	48%	0.476	C	S	.	.	H	α-helix	trans	-63.2	-46	178.2	-70.3	5.9	0	0	0	111.5	D12 F28 Y30 F42 I69 L73 R74 S79 F80 T81	D12-F77 VanDerWaalsContact OD1-CD2 3.27Å; D12-F77 WeakPolarHBondContact OD1-CD2 3.31Å; D12-F77 WeakPolarHBondContact OD1-CE2 3.49Å; F28-F77 HydrophobicContact CB-CZ 4.31Å; Y30-F77 HydrophobicContact CD2-CB 3.99Å; Y30-F77 AromaticContact CD2-CD1 3.52Å; Y30-F77 HydrophobicContact CD2-CD1 3.52Å; Y30-F77 AromaticContact CD2-CD2 3.73Å; Y30-F77 HydrophobicContact CD2-CD2 3.73Å; Y30-F77 AromaticContact CD2-CE1 3.83Å; Y30-F77 HydrophobicContact CD2-CE1 3.83Å; Y30-F77 HydrophobicContact CD2-CE2 4Å; Y30-F77 AromaticContact CD2-CG 3.48Å; Y30-F77 HydrophobicContact CD2-CG 3.48Å; Y30-F77 VanDerWaalsContact CD2-CG 3.48Å; Y30-F77 HydrophobicContact CD2-CZ 4.06Å; Y30-F77 HydrophobicContact CE2-CB 3.98Å; Y30-F77 HydrophobicContact CE2-CD1 4.18Å; Y30-F77 HydrophobicContact CE2-CD2 4.49Å; Y30-F77 AromaticContact CE2-CG 3.99Å; Y30-F77 HydrophobicContact CE2-CG 3.99Å; Y30-F77 HydrophobicContact CG-CD1 4.2Å; Y30-F77 HydrophobicContact CG-CE1 4.1Å; Y30-F77 HydrophobicContact CG-CZ 4.28Å; F42-F77 HydrophobicContact CB-CE1 4.15Å; F42-F77 HydrophobicContact CB-CZ 4.34Å; F42-F77 HydrophobicContact CD1-CE1 4.34Å; F42-F77 AromaticContact CD2-CE1 3.46Å; F42-F77 HydrophobicContact CD2-CE1 3.46Å; F42-F77 VanDerWaalsContact CD2-CE1 3.46Å; F42-F77 AromaticContact CD2-CZ 3.97Å; F42-F77 HydrophobicContact CD2-CZ 3.97Å; F42-F77 AromaticContact CE2-CE1 3.84Å; F42-F77 HydrophobicContact CE2-CE1 3.84Å; F42-F77 AromaticContact CG-CE1 3.73Å; F42-F77 HydrophobicContact CG-CE1 3.73Å; F42-F77 HydrophobicContact CG-CZ 4.32Å; F42-F77 HydrophobicContact CZ-CE1 4.42Å; I69-F77 HydrophobicContact CD1-CD2 3.73Å; I69-F77 HydrophobicContact CD1-CE2 3.56Å; I69-F77 HydrophobicContact CD1-CZ 4.36Å; L73-F77 HydrophobicContact CD1-CD1 4.01Å; L73-F77 HydrophobicContact CD1-CE1 3.49Å; L73-F77 VanDerWaalsContact CD1-CE1 3.49Å; L73-F77 HydrophobicContact CD1-CZ 4.11Å; L73-F77 HydrophobicContact CD2-CE1 4.19Å; L73-F77 HydrophobicContact CD2-CZ 3.95Å; L73-F77 HydrophobicContact CG-CD1 4.19Å; L73-F77 HydrophobicContact CG-CE1 3.69Å; L73-F77 HydrophobicContact CG-CE2 4.48Å; L73-F77 HydrophobicContact CG-CZ 3.86Å; L73-F77 WeakPolarHBondContact O-CD1 3.07Å; L73-F77 PolarHBondContact O-N 3.39Å; R74-F77 PolarHBondContact O-N 2.96Å; R74-F77 VanDerWaalsContact O-N 3.13Å; F77-S79 PolarHBondContact O-N 3.49Å; F77-F80 HydrophobicContact CD1-CE2 4.48Å; F77-F80 WeakPolarHBondContact O-CB 3.38Å; F77-F80 PolarHBondContact O-N 3Å; F77-T81 PolarHBondContact O-N 2.78Å
78	D	86.4	Confident	73.5	Confident	69 Å²	69	92 Å²	92	37%	0.369	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-31.8	176.6	-61.3	-24.4	0	0	0	111.4	R74 F80 T81 S82	R74-D78 IonicContact NE-OD1 3.6Å; R74-D78 IonicContact NE-OD2 3.56Å; R74-D78 PolarHBondContact O-N 3.45Å; D78-F80 PolarHBondContact O-N 2.86Å; D78-T81 PolarHBondContact O-N 3.32Å; D78-T81 PolarHBondContact O-OG1 3.12Å; D78-T81 VanDerWaalsContact O-OG1 3.14Å; D78-S82 VanDerWaalsContact O-CB 3.25Å; D78-S82 WeakPolarHBondContact O-CB 3.46Å; D78-S82 PolarHBondContact O-N 3.37Å; D78-S82 PolarHBondContact O-OG 3.4Å
79	S	85.3	Confident	71.3	Confident	58 Å²	58	91.7 Å²	91.7	41%	0.406	49%	0.494	S	S	.	.	H	α-helix	trans	-67.6	-23.1	175.7	80.4	0	0	0	0	113.6	K75 I76 F77 S82	K75-S79 WeakPolarHBondContact O-CB 3.35Å; K75-S79 PolarHBondContact O-N 2.91Å; I76-S79 WeakPolarHBondContact O-CB 3.37Å; I76-S79 PolarHBondContact O-N 2.84Å; I76-S79 PolarHBondContact O-OG 3.41Å; F77-S79 PolarHBondContact O-N 3.49Å; S79-S82 WeakPolarHBondContact CA-OG 3.16Å; S79-S82 PolarHBondContact O-OG 3.32Å
80	F	82.1	Confident	69	Low	84 Å²	84	96 Å²	96	37%	0.368	52%	0.522	S	S	.	.	H	α-helix	trans	-84.2	-32.4	176.8	-59.7	-43.4	0	0	0	112.7	Y30 F42 I76 F77 D78	Y30-F80 HydrophobicContact CD2-CD2 4.42Å; Y30-F80 HydrophobicContact CE1-CD2 4.11Å; Y30-F80 HydrophobicContact CE2-CB 4.41Å; Y30-F80 AromaticContact CE2-CD2 3.84Å; Y30-F80 HydrophobicContact CE2-CD2 3.84Å; Y30-F80 AromaticContact CZ-CD2 3.68Å; Y30-F80 WeakPolarHBondContact OH-CB 3.37Å; F42-F80 HydrophobicContact CE1-CE2 4.11Å; F42-F80 HydrophobicContact CE1-CZ 4.26Å; F42-F80 HydrophobicContact CE2-CE2 4.22Å; F42-F80 AromaticContact CZ-CE2 3.48Å; F42-F80 HydrophobicContact CZ-CE2 3.48Å; F42-F80 VanDerWaalsContact CZ-CE2 3.48Å; F42-F80 AromaticContact CZ-CZ 3.87Å; F42-F80 HydrophobicContact CZ-CZ 3.87Å; I76-F80 HydrophobicContact CG2-CD2 4.43Å; I76-F80 HydrophobicContact CG2-CE1 4.48Å; I76-F80 HydrophobicContact CG2-CE2 3.5Å; I76-F80 HydrophobicContact CG2-CZ 3.52Å; I76-F80 VanDerWaalsContact O-CD2 3.29Å; I76-F80 WeakPolarHBondContact O-CD2 3.36Å; I76-F80 PolarHBondContact O-N 3.29Å; F77-F80 HydrophobicContact CD1-CE2 4.48Å; F77-F80 WeakPolarHBondContact O-CB 3.38Å; F77-F80 PolarHBondContact O-N 3Å; D78-F80 PolarHBondContact O-N 2.86Å
81	T	68.3	Low	67	Low	85 Å²	85	98.6 Å²	98.6	52%	0.521	54%	0.541	S	S	.	.	H	α-helix	trans	-84.6	-29.5	179.7	53.1	0	0	0	0	112.5	F77 D78 I83 D84	F77-T81 PolarHBondContact O-N 2.78Å; D78-T81 PolarHBondContact O-N 3.32Å; D78-T81 PolarHBondContact O-OG1 3.12Å; D78-T81 VanDerWaalsContact O-OG1 3.14Å; T81-I83 PolarHBondContact O-N 3.3Å; T81-D84 PolarHBondContact O-N 3Å
82	S	59.1	Low	65.1	Low	68 Å²	68	102.1 Å²	102.1	48%	0.476	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	0.2	177.5	51.1	0	0	0	0	114.9	D78 S79 D84	D78-S82 VanDerWaalsContact O-CB 3.25Å; D78-S82 WeakPolarHBondContact O-CB 3.46Å; D78-S82 PolarHBondContact O-N 3.37Å; D78-S82 PolarHBondContact O-OG 3.4Å; S79-S82 WeakPolarHBondContact CA-OG 3.16Å; S79-S82 PolarHBondContact O-OG 3.32Å; S82-D84 PolarHBondContact O-N 3.36Å
83	I	54.7	Low	63	Low	131 Å²	131	105.5 Å²	105.5	67%	0.672	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-21.6	173	-63.6	174.4	0	0	0	111.3	T81	T81-I83 PolarHBondContact O-N 3.3Å
84	D	46.7	Very low	60.7	Low	154 Å²	154	112.6 Å²	112.6	82%	0.824	60%	0.598	S	S	*	*	S	Bend	trans	-117.3	-2	-177.1	-72.2	-33.3	0	0	0	115.5	T81 S82	T81-D84 PolarHBondContact O-N 3Å; S82-D84 PolarHBondContact O-N 3.36Å
85	E	45.9	Very low	58.5	Low	166 Å²	166	114.3 Å²	114.3	78%	0.776	61%	0.609	S	S	*	*			trans	-119.4	61.2	178.2	-69.8	-163	156.8	0	0	113.2	S87	E85-S87 VanDerWaalsContact C-N 3.27Å; E85-S87 PolarHBondContact O-N 3.32Å
86	C	37.5	Very low	56.1	Low	91 Å²	91	112.6 Å²	112.6	62%	0.615	61%	0.612	S	S	*	*			trans	-90.6	58.2	157.3	-101	0	0	0	0	110	T103	C86-T103 HydrophobicContact CB-CG2 3.91Å; C86-T103 WeakPolarHBondContact SG-CG2 3.27Å
87	S	41.6	Very low	53.5	Low	97 Å²	97	116.5 Å²	116.5	68%	0.678	64%	0.638	S	S	*	*	S	Bend	trans	-170.1	135.1	170.7	-83.8	0	0	0	0	110.7	E85	E85-S87 VanDerWaalsContact C-N 3.27Å; E85-S87 PolarHBondContact O-N 3.32Å
88	L	38.6	Very low	51	Low	148 Å²	148	121.6 Å²	121.6	78%	0.775	67%	0.674	S	S	*	*			trans	84.1	76.7	168.2	-49.4	163.3	0	0	0	116
89	N	40.2	Very low	48.8	Very low	173 Å²	173	124 Å²	124	93%	0.925	70%	0.697	S	S	*	*			trans	-147.8	77.4	134.9	-82.1	-31.3	0	0	0	107.9
90	T	43	Very low	46.4	Very low	121 Å²	121	126 Å²	126	74%	0.742	72%	0.716	S	S	*	*			trans	-67.6	151.1	159.4	2.5	0	0	0	0	109.7
91	S	49.3	Very low	44.6	Very low	98 Å²	98	128 Å²	128	69%	0.685	74%	0.736	S	S	*	*			trans	76	127.8	175.9	82.1	0	0	0	0	114.8
92	E	49.2	Very low	43.7	Very low	170 Å²	170	131.4 Å²	131.4	79%	0.794	74%	0.743	S	S	*	*			cis	-169.6	152.4	1.5	-119.7	157.5	-154.4	0	0	104.5
93	E	47.2	Very low	43.3	Very low	170 Å²	170	132.4 Å²	132.4	79%	0.794	75%	0.746	S	S	*	*			trans	78.8	93.2	162.6	-59	-179.4	178	0	0	118.9
94	M	42.9	Very low	43.4	Very low	149 Å²	149	127.9 Å²	127.9	73%	0.734	72%	0.724	S	S	*	*				91.7	107.6	112.4	-157.5	169.9	-91.2	0	0	117
95	K	44	Very low	44.2	Very low	164 Å²	164	124.3 Å²	124.3	71%	0.713	71%	0.707	S	S	*	*			trans	82	113.2	142.8	-75.9	173	-171.6	172.2	0	117.9
96	T	36.1	Very low	45.1	Very low	118 Å²	118	120.8 Å²	120.8	72%	0.724	70%	0.701	S	S	*	*				88.5	116.6	127	53	0	0	0	0	117.5
97	T	36.1	Very low	46.7	Very low	127 Å²	127	122.6 Å²	122.6	78%	0.779	71%	0.705	S	S	*	*			trans	92.6	121.6	151.4	75.7	0	0	0	0	116.7
98	S	38.1	Very low	48.2	Very low	113 Å²	113	121.2 Å²	121.2	79%	0.79	69%	0.687	S	S	*	*			trans	100.6	109.3	142.4	-42.5	0	0	0	0	117.3
99	S	39.3	Very low	50	Low	120 Å²	120	116.3 Å²	116.3	84%	0.839	66%	0.662	S	S	*	*			trans	82.9	96	152.3	-140.9	0	0	0	0	117.2	T101	S99-T101 PolarHBondContact O-N 3.44Å
100	A	35.5	Very low	51.7	Low	98 Å²	98	109.9 Å²	109.9	81%	0.81	63%	0.63	S	S	*	*			trans	-67.4	102.8	-179.4	0	0	0	0	0	112.9
101	T	43.2	Very low	53.3	Low	127 Å²	127	106.8 Å²	106.8	78%	0.779	61%	0.613	S	S	*	*			trans	-105.5	83.7	149.5	46.1	0	0	0	0	107.4	S99 T103	S99-T101 PolarHBondContact O-N 3.44Å; T101-T103 PolarHBondContact O-N 2.82Å
102	K	49.2	Very low	54.8	Low	156 Å²	156	103.2 Å²	103.2	68%	0.678	58%	0.584	S	S	*	*			trans	-63.7	97.2	173.3	-101.5	-179.2	174.7	178.9	0	108.3	L104	K102-L104 PolarHBondContact O-N 3.47Å
103	T	51.6	Low	56.5	Low	89 Å²	89	97.4 Å²	97.4	55%	0.546	56%	0.555	S	S	.	*			trans	-62.9	112	161.4	38.7	0	0	0	0	107.5	C86 T101 T105	C86-T103 HydrophobicContact CB-CG2 3.91Å; C86-T103 WeakPolarHBondContact SG-CG2 3.27Å; T101-T103 PolarHBondContact O-N 2.82Å; T103-T105 PolarHBondContact O-N 3.19Å
104	L	56.4	Low	58.2	Low	37 Å²	37	94.4 Å²	94.4	19%	0.194	54%	0.541	C	S	.	.			trans	-65.1	129.2	177.2	-97.5	76.5	0	0	0	108.9	K102 E108 L109 R112	K102-L104 PolarHBondContact O-N 3.47Å; L104-E108 VanDerWaalsContact CA-OE2 3.31Å; L104-E108 WeakPolarHBondContact CA-OE2 3.39Å; L104-E108 HydrophobicContact CB-CB 3.74Å; L104-E108 HydrophobicContact CD2-CB 3.57Å; L104-E108 WeakPolarHBondContact CD2-O 3.25Å; L104-E108 HydrophobicContact CG-CB 3.46Å; L104-E108 VanDerWaalsContact CG-CB 3.46Å; L104-E108 HydrophobicContact CG-CG 4.37Å; L104-L109 HydrophobicContact CB-CD2 3.93Å; L104-L109 HydrophobicContact CB-CG 3.9Å; L104-L109 HydrophobicContact CD2-CD2 4.38Å; L104-R112 HydrophobicContact CD2-CB 3.98Å
105	T	62.8	Low	60.1	Low	79 Å²	79	92.6 Å²	92.6	49%	0.485	53%	0.529	S	S	.	.			trans	-57	158.4	167.2	55.2	0	0	0	0	110.9	T103 D107 E108 L109	T103-T105 PolarHBondContact O-N 3.19Å; T105-D107 PolarHBondContact O-N 2.99Å; T105-D107 VanDerWaalsContact O-N 3.14Å; T105-E108 PolarHBondContact N-OE2 2.94Å; T105-E108 CarbonylContact O-C 3.59Å; T105-E108 WeakPolarHBondContact O-CA 3.38Å; T105-E108 PolarHBondContact O-N 3.12Å; T105-E108 WeakPolarHBondContact OG1-CG 3.46Å; T105-E108 PolarHBondContact OG1-N 3.44Å; T105-E108 PolarHBondContact OG1-OE2 3.08Å; T105-L109 PolarHBondContact O-N 3.49Å
106	S	65.8	Low	62.1	Low	91 Å²	91	84.8 Å²	84.8	64%	0.636	50%	0.495	S	S	*	.	H	α-helix	trans	-53.5	-35.3	178.3	-179.1	0	0	0	0	112.6	L109 S110	S106-L109 PolarHBondContact O-N 3Å; S106-S110 WeakPolarHBondContact O-CB 3.29Å; S106-S110 PolarHBondContact O-N 3.02Å; S106-S110 PolarHBondContact O-OG 3.35Å
107	D	70.7	Confident	64.3	Low	130 Å²	130	81.2 Å²	81.2	70%	0.695	47%	0.471	S	S	*	.	H	α-helix	trans	-68.5	-43.5	174.6	-65.5	-29.2	0	0	0	112	T105 L109 S110 C111	T105-D107 PolarHBondContact O-N 2.99Å; T105-D107 VanDerWaalsContact O-N 3.14Å; D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 PolarHBondContact O-N 3.38Å; D107-S110 PolarHBondContact O-N 2.93Å; D107-C111 WeakPolarHBondContact O-CB 3.38Å; D107-C111 PolarHBondContact O-N 3.44Å
108	E	72.4	Confident	66.6	Low	68 Å²	68	80.9 Å²	80.9	32%	0.318	46%	0.461	S	S	.	.	H	α-helix	trans	-65.7	-38.1	175.6	-71.1	171	125	0	0	111.6	L104 T105 S110 C111 R112	L104-E108 VanDerWaalsContact CA-OE2 3.31Å; L104-E108 WeakPolarHBondContact CA-OE2 3.39Å; L104-E108 HydrophobicContact CB-CB 3.74Å; L104-E108 HydrophobicContact CD2-CB 3.57Å; L104-E108 WeakPolarHBondContact CD2-O 3.25Å; L104-E108 HydrophobicContact CG-CB 3.46Å; L104-E108 VanDerWaalsContact CG-CB 3.46Å; L104-E108 HydrophobicContact CG-CG 4.37Å; T105-E108 PolarHBondContact N-OE2 2.94Å; T105-E108 CarbonylContact O-C 3.59Å; T105-E108 WeakPolarHBondContact O-CA 3.38Å; T105-E108 PolarHBondContact O-N 3.12Å; T105-E108 WeakPolarHBondContact OG1-CG 3.46Å; T105-E108 PolarHBondContact OG1-N 3.44Å; T105-E108 PolarHBondContact OG1-OE2 3.08Å; E108-S110 VanDerWaalsContact C-N 3.34Å; E108-C111 PolarHBondContact O-N 3.47Å; E108-R112 VanDerWaalsContact O-CB 3.31Å; E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 PolarHBondContact O-N 3.03Å
109	L	77.4	Confident	68.8	Low	45 Å²	45	77.2 Å²	77.2	24%	0.236	43%	0.432	C	S	.	.	H	α-helix	trans	-62.2	-42.9	175.5	-77.2	176.3	0	0	0	111.1	L104 T105 S106 D107 R112 R113 P147	L104-L109 HydrophobicContact CB-CD2 3.93Å; L104-L109 HydrophobicContact CB-CG 3.9Å; L104-L109 HydrophobicContact CD2-CD2 4.38Å; T105-L109 PolarHBondContact O-N 3.49Å; S106-L109 PolarHBondContact O-N 3Å; D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 PolarHBondContact O-N 3.38Å; L109-R112 PolarHBondContact O-N 3.24Å; L109-R113 WeakPolarHBondContact O-CB 3.37Å; L109-R113 PolarHBondContact O-N 3.3Å; L109-P147 HydrophobicContact CD2-CB 3.89Å
110	S	75.3	Confident	71	Confident	37 Å²	37	71.5 Å²	71.5	26%	0.259	39%	0.392	S	S	.	.	H	α-helix	trans	-63.7	-45.5	176	-62.2	0	0	0	0	111.3	S106 D107 E108 R112 R113 E114	S106-S110 WeakPolarHBondContact O-CB 3.29Å; S106-S110 PolarHBondContact O-N 3.02Å; S106-S110 PolarHBondContact O-OG 3.35Å; D107-S110 PolarHBondContact O-N 2.93Å; E108-S110 VanDerWaalsContact C-N 3.34Å; S110-R112 PolarHBondContact O-N 3.38Å; S110-R113 WeakPolarHBondContact O-CB 3.14Å; S110-R113 PolarHBondContact O-N 3.36Å; S110-E114 WeakPolarHBondContact O-CG 3.42Å; S110-E114 PolarHBondContact O-N 3.12Å
111	C	76.1	Confident	73.2	Confident	57 Å²	57	70.1 Å²	70.1	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-42.5	175.3	-178.1	0	0	0	0	111.9	D107 E108 E114 K115	D107-C111 WeakPolarHBondContact O-CB 3.38Å; D107-C111 PolarHBondContact O-N 3.44Å; E108-C111 PolarHBondContact O-N 3.47Å; C111-E114 PolarHBondContact O-N 3.37Å; C111-K115 WeakPolarHBondContact O-CG 3.33Å; C111-K115 PolarHBondContact O-N 2.89Å
112	R	81.6	Confident	75	Confident	22 Å²	22	70.4 Å²	70.4	8%	0.083	37%	0.373	C	S	.	.	H	α-helix	trans	-64.8	-43.8	176.6	-176.2	171	173.9	95.3	4.1	111.5	L104 E108 L109 S110 E114 K115 I116 P147 Y148 N149 E172	L104-R112 HydrophobicContact CD2-CB 3.98Å; E108-R112 VanDerWaalsContact O-CB 3.31Å; E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 PolarHBondContact O-N 3.03Å; L109-R112 PolarHBondContact O-N 3.24Å; S110-R112 PolarHBondContact O-N 3.38Å; R112-E114 PolarHBondContact O-N 3.24Å; R112-K115 PolarHBondContact O-N 3.08Å; R112-I116 HydrophobicContact CG-CD1 4.02Å; R112-I116 WeakPolarHBondContact O-CG1 3.48Å; R112-I116 PolarHBondContact O-N 2.85Å; R112-P147 WeakPolarHBondContact CD-O 3.48Å; R112-P147 PolarHBondContact NE-O 2.93Å; R112-P147 VanDerWaalsContact NE-O 3.08Å; R112-Y148 PolarHBondContact NE-O 3.16Å; R112-Y148 PolarHBondContact NH2-O 2.99Å; R112-N149 PolarHBondContact NE-OD1 3.33Å; R112-N149 PolarHBondContact NH2-OD1 2.76Å; R112-E172 IonicContact CZ-OE1 3.29Å; R112-E172 IonicContact NH2-OE1 3.84Å; R112-E172 PolarHBondContact NH2-OE1 2.85Å
113	R	84.5	Confident	76.5	Confident	49 Å²	49	65.5 Å²	65.5	19%	0.185	35%	0.354	C	S	.	.	H	α-helix	trans	-57	-49	174.4	-176.8	-177.8	64.9	-165.5	-2.9	111	L109 S110 K115 I116 I117 V136 Y148	L109-R113 WeakPolarHBondContact O-CB 3.37Å; L109-R113 PolarHBondContact O-N 3.3Å; S110-R113 WeakPolarHBondContact O-CB 3.14Å; S110-R113 PolarHBondContact O-N 3.36Å; R113-K115 PolarHBondContact O-N 2.92Å; R113-I116 PolarHBondContact O-N 2.86Å; R113-I117 HydrophobicContact CG-CD1 3.85Å; R113-I117 HydrophobicContact CG-CG1 4.49Å; R113-I117 VanDerWaalsContact O-CG1 3.31Å; R113-I117 WeakPolarHBondContact O-CG1 3.46Å; R113-I117 PolarHBondContact O-N 3.35Å; R113-V136 HydrophobicContact CG-CG2 3.87Å; R113-Y148 HydrophobicContact CB-CD2 4.19Å; R113-Y148 HydrophobicContact CB-CE1 4.48Å; R113-Y148 HydrophobicContact CB-CE2 3.72Å; R113-Y148 WeakPolarHBondContact CD-OH 3.4Å; R113-Y148 HydrophobicContact CG-CE1 4.21Å; R113-Y148 HydrophobicContact CG-CE2 4.29Å
114	E	83.2	Confident	77.7	Confident	107 Å²	107	68.1 Å²	68.1	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-44.4	178.9	-75.4	174.4	-164.8	0	0	112.1	S110 C111 R112 I116 I117 Q118	S110-E114 WeakPolarHBondContact O-CG 3.42Å; S110-E114 PolarHBondContact O-N 3.12Å; C111-E114 PolarHBondContact O-N 3.37Å; R112-E114 PolarHBondContact O-N 3.24Å; E114-I116 VanDerWaalsContact C-N 3.31Å; E114-I116 PolarHBondContact O-N 2.9Å; E114-I117 PolarHBondContact O-N 3.07Å; E114-Q118 WeakPolarHBondContact O-CB 3.48Å; E114-Q118 VanDerWaalsContact O-CG 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.46Å; E114-Q118 PolarHBondContact O-N 3.34Å
115	K	83.5	Confident	78.7	Confident	111 Å²	111	66.9 Å²	66.9	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-42.4	174.2	-74.6	179	179.2	-171.4	0	112.3	C111 R112 R113 Q118 L119 L171	C111-K115 WeakPolarHBondContact O-CG 3.33Å; C111-K115 PolarHBondContact O-N 2.89Å; R112-K115 PolarHBondContact O-N 3.08Å; R113-K115 PolarHBondContact O-N 2.92Å; K115-Q118 PolarHBondContact O-N 3.15Å; K115-L119 WeakPolarHBondContact O-CB 3.32Å; K115-L119 PolarHBondContact O-N 3.07Å; K115-L171 HydrophobicContact CB-CD2 4.4Å
116	I	85.1	Confident	78.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-66.7	-43	178.3	-72.8	171	0	0	0	111.1	R112 R113 E114 Q118 L119 F120 Y148 L171	R112-I116 HydrophobicContact CG-CD1 4.02Å; R112-I116 WeakPolarHBondContact O-CG1 3.48Å; R112-I116 PolarHBondContact O-N 2.85Å; R113-I116 PolarHBondContact O-N 2.86Å; E114-I116 VanDerWaalsContact C-N 3.31Å; E114-I116 PolarHBondContact O-N 2.9Å; I116-Q118 VanDerWaalsContact C-N 3.34Å; I116-Q118 PolarHBondContact O-N 3.49Å; I116-L119 WeakPolarHBondContact O-CB 3.3Å; I116-L119 PolarHBondContact O-N 3.23Å; I116-F120 HydrophobicContact CG2-CD2 3.85Å; I116-F120 HydrophobicContact CG2-CE1 4.28Å; I116-F120 HydrophobicContact CG2-CE2 3.16Å; I116-F120 HydrophobicContact CG2-CZ 3.43Å; I116-F120 VanDerWaalsContact CG2-CZ 3.43Å; I116-F120 WeakPolarHBondContact O-CD2 3.27Å; I116-F120 VanDerWaalsContact O-CG 3.29Å; I116-F120 WeakPolarHBondContact O-CG 3.48Å; I116-F120 PolarHBondContact O-N 3.5Å; I116-Y148 HydrophobicContact CD1-CG 4.29Å; I116-Y148 VanDerWaalsContact CD1-O 3.3Å; I116-Y148 WeakPolarHBondContact CD1-O 3.23Å; I116-L171 HydrophobicContact CG1-CD2 3.7Å
117	I	83.7	Confident	79.3	Confident	43 Å²	43	70.6 Å²	70.6	22%	0.221	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-42.2	175.9	-67.3	168.9	0	0	0	110.8	R113 E114 F120 S121 V128 I130 V136	R113-I117 HydrophobicContact CG-CD1 3.85Å; R113-I117 HydrophobicContact CG-CG1 4.49Å; R113-I117 VanDerWaalsContact O-CG1 3.31Å; R113-I117 WeakPolarHBondContact O-CG1 3.46Å; R113-I117 PolarHBondContact O-N 3.35Å; E114-I117 PolarHBondContact O-N 3.07Å; I117-F120 PolarHBondContact O-N 3.36Å; I117-S121 WeakPolarHBondContact O-CB 3.42Å; I117-S121 PolarHBondContact O-N 3.14Å; I117-S121 PolarHBondContact O-OG 2.69Å; I117-V128 HydrophobicContact CG1-CG1 4.06Å; I117-V128 HydrophobicContact CG2-CG1 4.48Å; I117-I130 HydrophobicContact CD1-CD1 3.88Å; I117-I130 HydrophobicContact CD1-CG1 4.2Å; I117-V136 HydrophobicContact CG1-CG1 4.47Å; I117-V136 HydrophobicContact CG1-CG2 4.46Å
118	Q	83.5	Confident	79.8	Confident	120 Å²	120	66.3 Å²	66.3	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-61.8	-44.6	174.1	-74.1	176.8	4.6	0	0	111.2	E114 K115 I116 F120 S121 L122	E114-Q118 WeakPolarHBondContact O-CB 3.48Å; E114-Q118 VanDerWaalsContact O-CG 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.46Å; E114-Q118 PolarHBondContact O-N 3.34Å; K115-Q118 PolarHBondContact O-N 3.15Å; I116-Q118 VanDerWaalsContact C-N 3.34Å; I116-Q118 PolarHBondContact O-N 3.49Å; Q118-F120 VanDerWaalsContact C-N 3.33Å; Q118-F120 PolarHBondContact O-N 2.89Å; Q118-S121 WeakPolarHBondContact O-CB 3.4Å; Q118-S121 PolarHBondContact O-N 3.35Å; Q118-L122 WeakPolarHBondContact O-CB 3.38Å; Q118-L122 VanDerWaalsContact O-CG 3.31Å; Q118-L122 WeakPolarHBondContact O-CG 3.48Å; Q118-L122 PolarHBondContact O-N 3.39Å
119	L	84	Confident	80.4	Confident	35 Å²	35	66.3 Å²	66.3	18%	0.183	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-43.2	177.5	-176.1	67.8	0	0	0	111.8	K115 I116 L122 N123 L167 L171	K115-L119 WeakPolarHBondContact O-CB 3.32Å; K115-L119 PolarHBondContact O-N 3.07Å; I116-L119 WeakPolarHBondContact O-CB 3.3Å; I116-L119 PolarHBondContact O-N 3.23Å; L119-L122 PolarHBondContact O-N 3.35Å; L119-N123 WeakPolarHBondContact O-CB 3.34Å; L119-N123 PolarHBondContact O-N 2.99Å; L119-N123 PolarHBondContact O-ND2 3.22Å; L119-L167 HydrophobicContact CD2-CB 3.98Å; L119-L167 VanDerWaalsContact CD2-O 3.26Å; L119-L167 WeakPolarHBondContact CD2-O 3.17Å; L119-L167 HydrophobicContact CG-CB 4.46Å; L119-L171 HydrophobicContact CD2-CB 4.23Å
120	F	84.9	Confident	80.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.7	-39.2	176.3	-65.5	-24.1	0	0	0	112.6	I116 I117 Q118 N123 H124 L125 V128 V136 I138 I144 V164 L167 I168	I116-F120 HydrophobicContact CG2-CD2 3.85Å; I116-F120 HydrophobicContact CG2-CE1 4.28Å; I116-F120 HydrophobicContact CG2-CE2 3.16Å; I116-F120 HydrophobicContact CG2-CZ 3.43Å; I116-F120 VanDerWaalsContact CG2-CZ 3.43Å; I116-F120 WeakPolarHBondContact O-CD2 3.27Å; I116-F120 VanDerWaalsContact O-CG 3.29Å; I116-F120 WeakPolarHBondContact O-CG 3.48Å; I116-F120 PolarHBondContact O-N 3.5Å; I117-F120 PolarHBondContact O-N 3.36Å; Q118-F120 VanDerWaalsContact C-N 3.33Å; Q118-F120 PolarHBondContact O-N 2.89Å; F120-N123 CarbonylContact O-C 3.49Å; F120-N123 PolarHBondContact O-N 3.37Å; F120-H124 PolarHBondContact O-N 3.47Å; F120-L125 HydrophobicContact CB-CB 4.05Å; F120-L125 HydrophobicContact CB-CD1 4.05Å; F120-L125 HydrophobicContact CD1-CD1 3.62Å; F120-L125 HydrophobicContact CE1-CD1 4.3Å; F120-L125 HydrophobicContact CG-CD1 3.92Å; F120-L125 PolarHBondContact O-N 2.97Å; F120-V128 HydrophobicContact CB-CG2 3.84Å; F120-V128 HydrophobicContact CD2-CG1 4.39Å; F120-V128 HydrophobicContact CD2-CG2 4.12Å; F120-V128 HydrophobicContact CG-CG2 4.43Å; F120-V136 HydrophobicContact CD2-CG1 4.49Å; F120-V136 HydrophobicContact CE2-CG1 4.25Å; F120-I138 HydrophobicContact CD2-CD1 3.77Å; F120-I138 HydrophobicContact CD2-CG1 4.37Å; F120-I138 HydrophobicContact CE1-CD1 4.44Å; F120-I138 HydrophobicContact CE2-CD1 3.44Å; F120-I138 VanDerWaalsContact CE2-CD1 3.44Å; F120-I138 HydrophobicContact CE2-CG1 4.3Å; F120-I138 HydrophobicContact CG-CD1 4.42Å; F120-I138 HydrophobicContact CZ-CD1 3.82Å; F120-I144 HydrophobicContact CE2-CD1 3.41Å; F120-I144 VanDerWaalsContact CE2-CD1 3.41Å; F120-I144 HydrophobicContact CZ-CD1 3.51Å; F120-V164 HydrophobicContact CE1-CG1 4.15Å; F120-V164 HydrophobicContact CZ-CG1 3.77Å; F120-L167 HydrophobicContact CD1-CB 4.47Å; F120-L167 HydrophobicContact CD1-CD1 3.87Å; F120-L167 HydrophobicContact CE1-CB 4.09Å; F120-L167 HydrophobicContact CE1-CD1 4.15Å; F120-I168 HydrophobicContact CE1-CG1 4.3Å; F120-I168 HydrophobicContact CZ-CD1 4.09Å; F120-I168 HydrophobicContact CZ-CG1 4.01Å
121	S	81.5	Confident	81.3	Confident	70 Å²	70	68.3 Å²	68.3	49%	0.49	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-43.8	174.8	-56.7	0	0	0	0	111.5	I117 Q118 N123 H124	I117-S121 WeakPolarHBondContact O-CB 3.42Å; I117-S121 PolarHBondContact O-N 3.14Å; I117-S121 PolarHBondContact O-OG 2.69Å; Q118-S121 WeakPolarHBondContact O-CB 3.4Å; Q118-S121 PolarHBondContact O-N 3.35Å; S121-N123 VanDerWaalsContact C-N 3.27Å; S121-N123 PolarHBondContact O-N 3.41Å; S121-H124 PolarHBondContact O-N 3.05Å
122	L	81.8	Confident	81.5	Confident	133 Å²	133	74 Å²	74	70%	0.696	38%	0.379	S	S	*	.	H	α-helix	trans	-64.1	-31.3	175.9	-72.4	168.8	0	0	0	112.8	Q118 L119 H124	Q118-L122 WeakPolarHBondContact O-CB 3.38Å; Q118-L122 VanDerWaalsContact O-CG 3.31Å; Q118-L122 WeakPolarHBondContact O-CG 3.48Å; Q118-L122 PolarHBondContact O-N 3.39Å; L119-L122 PolarHBondContact O-N 3.35Å; L122-H124 VanDerWaalsContact C-N 3.33Å
123	N	81.5	Confident	81.5	Confident	53 Å²	53	82.1 Å²	82.1	28%	0.283	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	20.5	-179	-74.5	-85.9	0	0	0	113.6	L119 F120 S121 L125 R163 L167	L119-N123 WeakPolarHBondContact O-CB 3.34Å; L119-N123 PolarHBondContact O-N 2.99Å; L119-N123 PolarHBondContact O-ND2 3.22Å; F120-N123 CarbonylContact O-C 3.49Å; F120-N123 PolarHBondContact O-N 3.37Å; S121-N123 VanDerWaalsContact C-N 3.27Å; S121-N123 PolarHBondContact O-N 3.41Å; N123-L125 VanDerWaalsContact C-N 3.29Å; N123-L125 PolarHBondContact O-N 3.36Å; N123-R163 PolarHBondContact O-NH2 3.09Å; N123-L167 HydrophobicContact CB-CD1 3.75Å; N123-L167 HydrophobicContact CB-CD2 4.03Å; N123-L167 WeakPolarHBondContact ND2-CD2 3.3Å; N123-L167 WeakPolarHBondContact OD1-CD2 3.37Å
124	H	77	Confident	81.4	Confident	144 Å²	144	85.2 Å²	85.2	67%	0.667	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	34.3	177	-54.1	-63.9	0	0	0	114.5	F120 S121 L122 N126	F120-H124 PolarHBondContact O-N 3.47Å; S121-H124 PolarHBondContact O-N 3.05Å; L122-H124 VanDerWaalsContact C-N 3.33Å; H124-N126 PolarHBondContact O-N 3.03Å
125	L	75.7	Confident	81.6	Confident	10 Å²	10	81.2 Å²	81.2	5%	0.052	41%	0.407	C	S	.	.			trans	-89.2	93.9	166.5	-65.3	177.3	0	0	0	107.9	F120 N123 E127 I138 V164 L167	F120-L125 HydrophobicContact CB-CB 4.05Å; F120-L125 HydrophobicContact CB-CD1 4.05Å; F120-L125 HydrophobicContact CD1-CD1 3.62Å; F120-L125 HydrophobicContact CE1-CD1 4.3Å; F120-L125 HydrophobicContact CG-CD1 3.92Å; F120-L125 PolarHBondContact O-N 2.97Å; N123-L125 VanDerWaalsContact C-N 3.29Å; N123-L125 PolarHBondContact O-N 3.36Å; L125-E127 PolarHBondContact O-N 3.3Å; L125-I138 HydrophobicContact CB-CG2 4.42Å; L125-I138 HydrophobicContact CD1-CG2 4.5Å; L125-V164 HydrophobicContact CD1-CG2 4.13Å; L125-L167 HydrophobicContact CD1-CD1 3.85Å
126	N	65	Low	81.8	Confident	127 Å²	127	75.9 Å²	75.9	68%	0.679	38%	0.384	S	S	*	.			trans	-88.1	9.7	-161.7	-67.8	-10	0	0	0	115.8	H124	H124-N126 PolarHBondContact O-N 3.03Å
127	E	76.3	Confident	81.9	Confident	121 Å²	121	76.2 Å²	76.2	57%	0.565	39%	0.386	S	S	*	.			trans	-138	79.1	176.9	-69.3	-178.8	177	0	0	110	L125 I138 H139	L125-E127 PolarHBondContact O-N 3.3Å; E127-I138 CarbonylContact O-C 3.57Å; E127-I138 VanDerWaalsContact O-CA 3.28Å; E127-I138 WeakPolarHBondContact O-CA 3.34Å; E127-H139 PolarHBondContact O-N 3.29Å; E127-H139 IonicContact OE2-CD2 3.5Å; E127-H139 PolarHBondContact OE2-CD2 3.2Å; E127-H139 VanDerWaalsContact OE2-CD2 3.29Å; E127-H139 IonicContact OE2-CG 2.66Å
128	V	82.6	Confident	82	Confident	40 Å²	40	74.2 Å²	74.2	24%	0.242	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.2	174.4	-174.2	0	0	0	0	108.7	I117 F120 V136 V137 I138	I117-V128 HydrophobicContact CG1-CG1 4.06Å; I117-V128 HydrophobicContact CG2-CG1 4.48Å; F120-V128 HydrophobicContact CB-CG2 3.84Å; F120-V128 HydrophobicContact CD2-CG1 4.39Å; F120-V128 HydrophobicContact CD2-CG2 4.12Å; F120-V128 HydrophobicContact CG-CG2 4.43Å; V128-V136 HydrophobicContact CG1-CG1 3.39Å; V128-V137 CarbonylContact C-O 3.59Å; V128-V137 WeakPolarHBondContact CA-O 3.48Å; V128-I138 HydrophobicContact CG2-CG1 4.42Å; V128-I138 HydrophobicContact CG2-CG2 4.49Å
129	S	84.9	Confident	81.9	Confident	69 Å²	69	71.5 Å²	71.5	48%	0.483	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	164	174.2	62.9	0	0	0	0	110.7	V137	S129-V137 PolarHBondContact N-O 3.11Å; S129-V137 PolarHBondContact O-N 2.95Å
130	I	86.9	Confident	81.8	Confident	77 Å²	77	76.1 Å²	76.1	40%	0.395	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.3	174	-57.2	166.7	0	0	0	106.5	I117 E135	I117-I130 HydrophobicContact CD1-CD1 3.88Å; I117-I130 HydrophobicContact CD1-CG1 4.2Å; I130-E135 WeakPolarHBondContact CA-O 3.29Å
131	N	83.9	Confident	81.8	Confident	46 Å²	46	78.1 Å²	78.1	25%	0.246	40%	0.4	C	S	.	.			trans	-87	174.2	176.5	71.6	11.1	0	0	0	112	R133 E134 E135 V137	N131-R133 PolarHBondContact O-N 3.37Å; N131-R133 WeakPolarHBondContact OD1-CA 3.5Å; N131-R133 WeakPolarHBondContact OD1-CB 3.22Å; N131-R133 PolarHBondContact OD1-N 3.22Å; N131-E134 PolarHBondContact O-N 2.62Å; N131-E134 PolarHBondContact OD1-N 3.34Å; N131-E135 PolarHBondContact N-O 2.87Å; N131-E135 PolarHBondContact ND2-OE2 3.31Å; N131-E135 WeakPolarHBondContact OD1-CB 3.46Å; N131-E135 PolarHBondContact OD1-N 3.02Å; N131-V137 HydrophobicContact CB-CG2 4.04Å
132	D	81.4	Confident	82.1	Confident	177 Å²	177	74.8 Å²	74.8	95%	0.947	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.9	179.1	-58.4	-32.1	0	0	0	114
133	R	80.1	Confident	82.5	Confident	193 Å²	193	71.3 Å²	71.3	73%	0.728	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	14.1	178.1	-58.9	-178.8	179.4	-174.2	-2.2	112.8	N131 E135	N131-R133 PolarHBondContact O-N 3.37Å; N131-R133 WeakPolarHBondContact OD1-CA 3.5Å; N131-R133 WeakPolarHBondContact OD1-CB 3.22Å; N131-R133 PolarHBondContact OD1-N 3.22Å; R133-E135 HydrophobicContact CB-CG 4.06Å; R133-E135 PolarHBondContact O-N 3.38Å; R133-E135 VanDerWaalsContact O-N 3.17Å
134	E	82.8	Confident	82.9	Confident	114 Å²	114	68.8 Å²	68.8	53%	0.533	34%	0.343	S	S	.	.	S	Bend	trans	60.5	17.5	-175.4	-53.7	-175.3	175.4	0	0	114.5	N131 P146 Y148	N131-E134 PolarHBondContact O-N 2.62Å; N131-E134 PolarHBondContact OD1-N 3.34Å; E134-P146 HydrophobicContact CB-CG 4.44Å; E134-Y148 WeakPolarHBondContact O-CE1 3.21Å; E134-Y148 PolarHBondContact O-OH 3.34Å
135	E	87.3	Confident	83.4	Confident	22 Å²	22	66.8 Å²	66.8	10%	0.103	33%	0.332	C	S	.	.			trans	-82.7	137.8	176.2	-51	171.9	150.2	0	0	109.7	I130 N131 R133 V137 I144 K145	I130-E135 WeakPolarHBondContact CA-O 3.29Å; N131-E135 PolarHBondContact N-O 2.87Å; N131-E135 PolarHBondContact ND2-OE2 3.31Å; N131-E135 WeakPolarHBondContact OD1-CB 3.46Å; N131-E135 PolarHBondContact OD1-N 3.02Å; R133-E135 HydrophobicContact CB-CG 4.06Å; R133-E135 PolarHBondContact O-N 3.38Å; R133-E135 VanDerWaalsContact O-N 3.17Å; E135-V137 PolarHBondContact O-N 3Å; E135-I144 CarbonylContact C-O 3.56Å; E135-I144 VanDerWaalsContact CA-O 3.29Å; E135-I144 WeakPolarHBondContact CA-O 3.33Å; E135-K145 HydrophobicContact CG-CG 4.09Å; E135-K145 VanDerWaalsContact OE1-CE 3.22Å; E135-K145 WeakPolarHBondContact OE1-CE 3.45Å; E135-K145 WeakPolarHBondContact OE1-CG 3.38Å
136	V	87.4	Confident	83.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.1	173.2	178.5	0	0	0	0	108.5	R113 I117 F120 V128 I138 F143 I144 Y148	R113-V136 HydrophobicContact CG-CG2 3.87Å; I117-V136 HydrophobicContact CG1-CG1 4.47Å; I117-V136 HydrophobicContact CG1-CG2 4.46Å; F120-V136 HydrophobicContact CD2-CG1 4.49Å; F120-V136 HydrophobicContact CE2-CG1 4.25Å; V128-V136 HydrophobicContact CG1-CG1 3.39Å; V136-I138 HydrophobicContact CG1-CG1 4.41Å; V136-F143 WeakPolarHBondContact O-CA 3.41Å; V136-I144 HydrophobicContact CB-CB 4.22Å; V136-I144 HydrophobicContact CB-CD1 4.29Å; V136-I144 HydrophobicContact CG1-CD1 4.26Å; V136-I144 PolarHBondContact N-O 3.22Å; V136-I144 PolarHBondContact O-N 3.04Å; V136-Y148 HydrophobicContact CG2-CD1 3.97Å; V136-Y148 HydrophobicContact CG2-CE1 3.76Å
137	V	87.5	Confident	84.7	Confident	7 Å²	7	65.1 Å²	65.1	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.1	-177.4	-172.9	0	0	0	0	109.6	V128 S129 N131 E135 V142 F143	V128-V137 CarbonylContact C-O 3.59Å; V128-V137 WeakPolarHBondContact CA-O 3.48Å; S129-V137 PolarHBondContact N-O 3.11Å; S129-V137 PolarHBondContact O-N 2.95Å; N131-V137 HydrophobicContact CB-CG2 4.04Å; E135-V137 PolarHBondContact O-N 3Å; V137-V142 CarbonylContact C-O 3.57Å; V137-V142 WeakPolarHBondContact CA-O 3.38Å; V137-F143 HydrophobicContact CB-CD1 4.36Å; V137-F143 HydrophobicContact CB-CE1 4.43Å; V137-F143 HydrophobicContact CG1-CD1 3.99Å; V137-F143 HydrophobicContact CG1-CE1 3.67Å; V137-F143 HydrophobicContact CG1-CZ 4.26Å; V137-F143 HydrophobicContact CG2-CD1 3.69Å; V137-F143 HydrophobicContact CG2-CE1 3.92Å
138	I	85.9	Confident	85.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.1	-177.3	-47.3	172.7	0	0	0	109	F120 L125 E127 V128 V136 N140 V141 V142 I144 V164	F120-I138 HydrophobicContact CD2-CD1 3.77Å; F120-I138 HydrophobicContact CD2-CG1 4.37Å; F120-I138 HydrophobicContact CE1-CD1 4.44Å; F120-I138 HydrophobicContact CE2-CD1 3.44Å; F120-I138 VanDerWaalsContact CE2-CD1 3.44Å; F120-I138 HydrophobicContact CE2-CG1 4.3Å; F120-I138 HydrophobicContact CG-CD1 4.42Å; F120-I138 HydrophobicContact CZ-CD1 3.82Å; L125-I138 HydrophobicContact CB-CG2 4.42Å; L125-I138 HydrophobicContact CD1-CG2 4.5Å; E127-I138 CarbonylContact O-C 3.57Å; E127-I138 VanDerWaalsContact O-CA 3.28Å; E127-I138 WeakPolarHBondContact O-CA 3.34Å; V128-I138 HydrophobicContact CG2-CG1 4.42Å; V128-I138 HydrophobicContact CG2-CG2 4.49Å; V136-I138 HydrophobicContact CG1-CG1 4.41Å; I138-N140 PolarHBondContact O-N 3.47Å; I138-V141 WeakPolarHBondContact O-CG2 3.34Å; I138-V141 PolarHBondContact O-N 3.29Å; I138-V142 HydrophobicContact CB-CB 4.28Å; I138-V142 HydrophobicContact CD1-CG1 4.4Å; I138-V142 PolarHBondContact N-O 3.35Å; I138-V142 PolarHBondContact O-N 3.08Å; I138-V142 VanDerWaalsContact O-N 3.12Å; I138-I144 HydrophobicContact CD1-CD1 3.77Å; I138-V164 HydrophobicContact CD1-CB 4.37Å; I138-V164 HydrophobicContact CD1-CG1 3.94Å; I138-V164 HydrophobicContact CD1-CG2 3.44Å; I138-V164 VanDerWaalsContact CD1-CG2 3.44Å
139	H	81.8	Confident	85.2	Confident	64 Å²	64	60 Å²	60	30%	0.296	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	26.6	-176.8	-60.5	94.6	0	0	0	114	E127 V141	E127-H139 PolarHBondContact O-N 3.29Å; E127-H139 IonicContact OE2-CD2 3.5Å; E127-H139 PolarHBondContact OE2-CD2 3.2Å; E127-H139 VanDerWaalsContact OE2-CD2 3.29Å; E127-H139 IonicContact OE2-CG 2.66Å; H139-V141 HydrophobicContact CB-CG2 3.79Å; H139-V141 WeakPolarHBondContact O-CG1 3.34Å; H139-V141 PolarHBondContact O-N 3.13Å
140	N	82	Confident	85.3	Confident	131 Å²	131	58.2 Å²	58.2	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	19.7	-174	-156.9	32.6	0	0	0	115.1	I138	I138-N140 PolarHBondContact O-N 3.47Å
141	V	84.8	Confident	85.2	Confident	43 Å²	43	61.5 Å²	61.5	26%	0.261	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-23.8	-175.4	-69.9	0	0	0	0	113.6	I138 H139 G155 K156 N157 I160	I138-V141 WeakPolarHBondContact O-CG2 3.34Å; I138-V141 PolarHBondContact O-N 3.29Å; H139-V141 HydrophobicContact CB-CG2 3.79Å; H139-V141 WeakPolarHBondContact O-CG1 3.34Å; H139-V141 PolarHBondContact O-N 3.13Å; V141-G155 CarbonylContact O-C 3.53Å; V141-G155 WeakPolarHBondContact O-CA 3.35Å; V141-K156 PolarHBondContact O-N 2.92Å; V141-K156 VanDerWaalsContact O-N 3.08Å; V141-N157 HydrophobicContact CB-CB 4.41Å; V141-I160 HydrophobicContact CG2-CD1 3.73Å
142	V	88.1	Confident	85.2	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.5	175.1	175.7	0	0	0	0	109.2	V137 I138 I144 S154 I160 L161 V164	V137-V142 CarbonylContact C-O 3.57Å; V137-V142 WeakPolarHBondContact CA-O 3.38Å; I138-V142 HydrophobicContact CB-CB 4.28Å; I138-V142 HydrophobicContact CD1-CG1 4.4Å; I138-V142 PolarHBondContact N-O 3.35Å; I138-V142 PolarHBondContact O-N 3.08Å; I138-V142 VanDerWaalsContact O-N 3.12Å; V142-I144 HydrophobicContact CG1-CG1 4.43Å; V142-S154 CarbonylContact C-O 3.51Å; V142-S154 WeakPolarHBondContact CA-O 3.31Å; V142-I160 HydrophobicContact CG2-CB 4.06Å; V142-I160 HydrophobicContact CG2-CG2 3.7Å; V142-L161 HydrophobicContact CG1-CD1 3.99Å; V142-L161 HydrophobicContact CG2-CB 4.26Å; V142-V164 HydrophobicContact CG1-CB 4.42Å; V142-V164 HydrophobicContact CG1-CG1 4.18Å; V142-V164 HydrophobicContact CG1-CG2 4.32Å
143	F	89.6	Confident	85.5	Confident	60 Å²	60	53 Å²	53	26%	0.263	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.6	-178.3	-56.3	-94.9	0	0	0	108.3	V136 V137 S154	V136-F143 WeakPolarHBondContact O-CA 3.41Å; V137-F143 HydrophobicContact CB-CD1 4.36Å; V137-F143 HydrophobicContact CB-CE1 4.43Å; V137-F143 HydrophobicContact CG1-CD1 3.99Å; V137-F143 HydrophobicContact CG1-CE1 3.67Å; V137-F143 HydrophobicContact CG1-CZ 4.26Å; V137-F143 HydrophobicContact CG2-CD1 3.69Å; V137-F143 HydrophobicContact CG2-CE1 3.92Å; F143-S154 PolarHBondContact N-O 3.42Å; F143-S154 PolarHBondContact O-N 3.09Å; F143-S154 PolarHBondContact O-OG 3.09Å
144	I	90	Very high	85.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.1	178.5	-51.5	161.8	0	0	0	107.5	F120 E135 V136 I138 V142 Y148 V164 I168	F120-I144 HydrophobicContact CE2-CD1 3.41Å; F120-I144 VanDerWaalsContact CE2-CD1 3.41Å; F120-I144 HydrophobicContact CZ-CD1 3.51Å; E135-I144 CarbonylContact C-O 3.56Å; E135-I144 VanDerWaalsContact CA-O 3.29Å; E135-I144 WeakPolarHBondContact CA-O 3.33Å; V136-I144 HydrophobicContact CB-CB 4.22Å; V136-I144 HydrophobicContact CB-CD1 4.29Å; V136-I144 HydrophobicContact CG1-CD1 4.26Å; V136-I144 PolarHBondContact N-O 3.22Å; V136-I144 PolarHBondContact O-N 3.04Å; I138-I144 HydrophobicContact CD1-CD1 3.77Å; V142-I144 HydrophobicContact CG1-CG1 4.43Å; I144-Y148 HydrophobicContact CG2-CD1 4.06Å; I144-V164 HydrophobicContact CD1-CG1 3.76Å; I144-V164 HydrophobicContact CG1-CG1 4.2Å; I144-I168 HydrophobicContact CD1-CD1 3.98Å; I144-I168 HydrophobicContact CG1-CD1 4.5Å; I144-I168 HydrophobicContact CG2-CD1 4.37Å
145	K	88.4	Confident	86.1	Confident	102 Å²	102	42 Å²	42	44%	0.443	24%	0.236	S	C	.	.			trans	-85	151.6	179.1	-53.6	-170.2	178.8	179.3	0	110.7	E135 Y148 C152	E135-K145 HydrophobicContact CG-CG 4.09Å; E135-K145 VanDerWaalsContact OE1-CE 3.22Å; E135-K145 WeakPolarHBondContact OE1-CE 3.45Å; E135-K145 WeakPolarHBondContact OE1-CG 3.38Å; K145-Y148 VanDerWaalsContact O-CA 3.29Å; K145-Y148 WeakPolarHBondContact O-CA 3.38Å; K145-Y148 PolarHBondContact O-N 2.94Å; K145-C152 HydrophobicContact CB-CB 4.3Å; K145-C152 PolarHBondContact N-O 3.17Å; K145-C152 VanDerWaalsContact N-O 3.12Å; K145-C152 VanDerWaalsContact O-CB 3.29Å; K145-C152 WeakPolarHBondContact O-CB 3.43Å
146	P	83.8	Confident	86	Confident	49 Å²	49	50.5 Å²	50.5	32%	0.318	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	141.3	162.7	-22.4	32.1	0	0	0	110.3	E134 Y148	E134-P146 HydrophobicContact CB-CG 4.44Å; P146-Y148 VanDerWaalsContact C-N 3.31Å; P146-Y148 VanDerWaalsContact CA-N 3.34Å; P146-Y148 HydrophobicContact CB-CE2 4.28Å; P146-Y148 HydrophobicContact CG-CE1 4.13Å; P146-Y148 HydrophobicContact CG-CE2 4.35Å
147	P	84.1	Confident	86	Confident	53 Å²	53	53.3 Å²	53.3	34%	0.344	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	cis	-81.3	19.3	5.8	34	-39.7	0	0	0	116	L109 R112 N149	L109-P147 HydrophobicContact CD2-CB 3.89Å; R112-P147 WeakPolarHBondContact CD-O 3.48Å; R112-P147 PolarHBondContact NE-O 2.93Å; R112-P147 VanDerWaalsContact NE-O 3.08Å; P147-N149 PolarHBondContact O-OD1 2.75Å
148	Y	84.9	Confident	86	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.008	31%	0.313	C	S	.	.			trans	62.4	47.2	-179.7	-39.3	-80.4	0	0	0	113.2	R112 R113 I116 E134 V136 I144 K145 P146	R112-Y148 PolarHBondContact NE-O 3.16Å; R112-Y148 PolarHBondContact NH2-O 2.99Å; R113-Y148 HydrophobicContact CB-CD2 4.19Å; R113-Y148 HydrophobicContact CB-CE1 4.48Å; R113-Y148 HydrophobicContact CB-CE2 3.72Å; R113-Y148 WeakPolarHBondContact CD-OH 3.4Å; R113-Y148 HydrophobicContact CG-CE1 4.21Å; R113-Y148 HydrophobicContact CG-CE2 4.29Å; I116-Y148 HydrophobicContact CD1-CG 4.29Å; I116-Y148 VanDerWaalsContact CD1-O 3.3Å; I116-Y148 WeakPolarHBondContact CD1-O 3.23Å; E134-Y148 WeakPolarHBondContact O-CE1 3.21Å; E134-Y148 PolarHBondContact O-OH 3.34Å; V136-Y148 HydrophobicContact CG2-CD1 3.97Å; V136-Y148 HydrophobicContact CG2-CE1 3.76Å; I144-Y148 HydrophobicContact CG2-CD1 4.06Å; K145-Y148 VanDerWaalsContact O-CA 3.29Å; K145-Y148 WeakPolarHBondContact O-CA 3.38Å; K145-Y148 PolarHBondContact O-N 2.94Å; P146-Y148 VanDerWaalsContact C-N 3.31Å; P146-Y148 VanDerWaalsContact CA-N 3.34Å; P146-Y148 HydrophobicContact CB-CE2 4.28Å; P146-Y148 HydrophobicContact CG-CE1 4.13Å; P146-Y148 HydrophobicContact CG-CE2 4.35Å
149	N	83.9	Confident	86	Confident	50 Å²	50	65.3 Å²	65.3	27%	0.267	35%	0.347	S	S	.	.			trans	-97.9	167.4	174.9	-63.8	-6.1	0	0	0	110.8	R112 P147 D151 C152 C153	R112-N149 PolarHBondContact NE-OD1 3.33Å; R112-N149 PolarHBondContact NH2-OD1 2.76Å; P147-N149 PolarHBondContact O-OD1 2.75Å; N149-D151 PolarHBondContact O-N 2.55Å; N149-C152 PolarHBondContact O-N 3Å; N149-C153 PolarHBondContact O-SG 2.9Å; N149-C153 VanDerWaalsContact O-SG 3.35Å
150	V	86.4	Confident	86.2	Confident	32 Å²	32	64.1 Å²	64.1	19%	0.194	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-56.3	-36.3	177.4	-176.1	0	0	0	0	111.8	C152 C153 K165 I168	V150-C152 VanDerWaalsContact C-N 3.32Å; V150-C152 PolarHBondContact O-N 2.88Å; V150-C153 WeakPolarHBondContact O-CB 3.34Å; V150-C153 PolarHBondContact O-N 3.1Å; V150-K165 HydrophobicContact CG1-CB 3.81Å; V150-K165 HydrophobicContact CG1-CD 4.03Å; V150-K165 HydrophobicContact CG1-CG 3.8Å; V150-K165 WeakPolarHBondContact O-CE 3.49Å; V150-I168 HydrophobicContact CG2-CB 4.04Å; V150-I168 HydrophobicContact CG2-CG2 3.73Å
151	D	84.3	Confident	86.5	Confident	147 Å²	147	58.6 Å²	58.6	79%	0.786	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-73.3	-22.5	179.6	-59.9	-43.6	0	0	0	113.5	N149 C153	N149-D151 PolarHBondContact O-N 2.55Å; D151-C153 VanDerWaalsContact C-N 3.27Å; D151-C153 PolarHBondContact O-N 3.46Å
152	C	84.8	Confident	86.7	Confident	35 Å²	35	61.1 Å²	61.1	24%	0.236	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-87.6	5.3	-179.6	-56.1	0	0	0	0	113.1	K145 N149 V150	K145-C152 HydrophobicContact CB-CB 4.3Å; K145-C152 PolarHBondContact N-O 3.17Å; K145-C152 VanDerWaalsContact N-O 3.12Å; K145-C152 VanDerWaalsContact O-CB 3.29Å; K145-C152 WeakPolarHBondContact O-CB 3.43Å; N149-C152 PolarHBondContact O-N 3Å; V150-C152 VanDerWaalsContact C-N 3.32Å; V150-C152 PolarHBondContact O-N 2.88Å
153	C	87.2	Confident	86.7	Confident	9 Å²	9	67 Å²	67	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.7	178.6	-60.1	0	0	0	0	110.8	N149 V150 D151 L161 K165 I168	N149-C153 PolarHBondContact O-SG 2.9Å; N149-C153 VanDerWaalsContact O-SG 3.35Å; V150-C153 WeakPolarHBondContact O-CB 3.34Å; V150-C153 PolarHBondContact O-N 3.1Å; D151-C153 VanDerWaalsContact C-N 3.27Å; D151-C153 PolarHBondContact O-N 3.46Å; C153-L161 HydrophobicContact CB-CD1 3.65Å; C153-K165 HydrophobicContact CB-CG 3.97Å; C153-I168 WeakPolarHBondContact SG-CD1 3.35Å
154	S	87.9	Confident	86.7	Confident	52 Å²	52	64.1 Å²	64.1	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.9	177.4	64.8	0	0	0	0	110.4	V142 F143	V142-S154 CarbonylContact C-O 3.51Å; V142-S154 WeakPolarHBondContact CA-O 3.31Å; F143-S154 PolarHBondContact N-O 3.42Å; F143-S154 PolarHBondContact O-N 3.09Å; F143-S154 PolarHBondContact O-OG 3.09Å
155	G	87.2	Confident	86.7	Confident	25 Å²	25	67.3 Å²	67.3	26%	0.258	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	158.5	179.6	0	0	0	0	0	113.7	V141 M158	V141-G155 CarbonylContact O-C 3.53Å; V141-G155 WeakPolarHBondContact O-CA 3.35Å; G155-M158 WeakPolarHBondContact O-CE 3.44Å
156	K	85.6	Confident	86.7	Confident	199 Å²	199	66.6 Å²	66.6	87%	0.865	35%	0.349	S	S	*	.	S	Bend	trans	-81.4	-33.3	178	-67.4	-179.2	-179.2	175.7	0	112.2	V141	V141-K156 PolarHBondContact O-N 2.92Å; V141-K156 VanDerWaalsContact O-N 3.08Å
157	N	87.3	Confident	86.9	Confident	60 Å²	60	64.8 Å²	64.8	32%	0.321	34%	0.337	S	S	.	.			trans	-92.2	104.8	180	-171.7	-33.8	0	0	0	109.9	V141 I159 I160 L161	V141-N157 HydrophobicContact CB-CB 4.41Å; N157-I159 VanDerWaalsContact C-N 3.28Å; N157-I159 PolarHBondContact O-N 2.83Å; N157-I159 WeakPolarHBondContact OD1-CB 3.21Å; N157-I159 PolarHBondContact OD1-N 3.4Å; N157-I160 HydrophobicContact CB-CB 4.27Å; N157-I160 HydrophobicContact CB-CD1 4.05Å; N157-I160 HydrophobicContact CB-CG1 4.25Å; N157-I160 WeakPolarHBondContact ND2-CD1 3.46Å; N157-I160 PolarHBondContact O-N 2.96Å; N157-I160 PolarHBondContact OD1-N 2.86Å; N157-L161 WeakPolarHBondContact O-CB 3.25Å; N157-L161 PolarHBondContact O-N 3.33Å
158	M	88.8	Confident	87.1	Confident	118 Å²	118	62.3 Å²	62.3	58%	0.581	32%	0.321	S	S	*	.	H	α-helix	trans	-62.7	-31.6	-179.6	-64.4	-69.7	90.7	0	0	113.3	G155 L161 D162	G155-M158 WeakPolarHBondContact O-CE 3.44Å; M158-L161 HydrophobicContact CE-CB 4.34Å; M158-L161 HydrophobicContact CE-CD2 3.41Å; M158-L161 VanDerWaalsContact CE-CD2 3.41Å; M158-L161 PolarHBondContact O-N 2.83Å; M158-L161 HydrophobicContact SD-CD2 4.4Å; M158-D162 VanDerWaalsContact O-CB 3.27Å; M158-D162 WeakPolarHBondContact O-CB 3.14Å; M158-D162 PolarHBondContact O-N 2.76Å
159	I	86.2	Confident	87.2	Confident	141 Å²	141	63 Å²	63	72%	0.723	33%	0.329	S	S	*	.	H	α-helix	trans	-67.5	-46.1	179.5	-56	174	0	0	0	110	N157 R163	N157-I159 VanDerWaalsContact C-N 3.28Å; N157-I159 PolarHBondContact O-N 2.83Å; N157-I159 WeakPolarHBondContact OD1-CB 3.21Å; N157-I159 PolarHBondContact OD1-N 3.4Å; I159-R163 PolarHBondContact O-N 2.87Å; I159-R163 VanDerWaalsContact O-N 3.15Å
160	I	84.9	Confident	87.2	Confident	38 Å²	38	66.5 Å²	66.5	20%	0.195	34%	0.341	C	S	.	.	H	α-helix	trans	-70.4	-40.9	178.6	-58.9	172.6	0	0	0	109.8	V141 V142 N157 D162 R163 V164	V141-I160 HydrophobicContact CG2-CD1 3.73Å; V142-I160 HydrophobicContact CG2-CB 4.06Å; V142-I160 HydrophobicContact CG2-CG2 3.7Å; N157-I160 HydrophobicContact CB-CB 4.27Å; N157-I160 HydrophobicContact CB-CD1 4.05Å; N157-I160 HydrophobicContact CB-CG1 4.25Å; N157-I160 WeakPolarHBondContact ND2-CD1 3.46Å; N157-I160 PolarHBondContact O-N 2.96Å; N157-I160 PolarHBondContact OD1-N 2.86Å; I160-D162 PolarHBondContact O-N 2.85Å; I160-R163 PolarHBondContact O-N 3.31Å; I160-V164 HydrophobicContact CG2-CG2 4.25Å; I160-V164 WeakPolarHBondContact O-CB 3.37Å; I160-V164 WeakPolarHBondContact O-CG2 3.37Å; I160-V164 PolarHBondContact O-N 2.9Å
161	L	88.9	Confident	86.9	Confident	16 Å²	16	66.8 Å²	66.8	8%	0.084	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-46.9	177.5	-177.5	65.3	0	0	0	111.8	V142 C153 N157 M158 V164 K165	V142-L161 HydrophobicContact CG1-CD1 3.99Å; V142-L161 HydrophobicContact CG2-CB 4.26Å; C153-L161 HydrophobicContact CB-CD1 3.65Å; N157-L161 WeakPolarHBondContact O-CB 3.25Å; N157-L161 PolarHBondContact O-N 3.33Å; M158-L161 HydrophobicContact CE-CB 4.34Å; M158-L161 HydrophobicContact CE-CD2 3.41Å; M158-L161 VanDerWaalsContact CE-CD2 3.41Å; M158-L161 PolarHBondContact O-N 2.83Å; M158-L161 HydrophobicContact SD-CD2 4.4Å; L161-V164 PolarHBondContact O-N 3.35Å; L161-K165 HydrophobicContact CD1-CG 4.43Å; L161-K165 HydrophobicContact CG-CD 4.33Å; L161-K165 HydrophobicContact CG-CG 4.5Å; L161-K165 WeakPolarHBondContact O-CB 3.37Å; L161-K165 WeakPolarHBondContact O-CG 3.44Å; L161-K165 PolarHBondContact O-N 3.37Å
162	D	88.3	Confident	86.6	Confident	95 Å²	95	62.5 Å²	62.5	51%	0.508	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-45.2	178.4	-171.1	66.5	0	0	0	111.2	M158 I160 V164 K165 N166	M158-D162 VanDerWaalsContact O-CB 3.27Å; M158-D162 WeakPolarHBondContact O-CB 3.14Å; M158-D162 PolarHBondContact O-N 2.76Å; I160-D162 PolarHBondContact O-N 2.85Å; D162-V164 VanDerWaalsContact C-N 3.33Å; D162-V164 PolarHBondContact O-N 2.71Å; D162-K165 PolarHBondContact O-N 3.01Å; D162-N166 WeakPolarHBondContact O-CB 3.49Å; D162-N166 PolarHBondContact O-N 3.18Å; D162-N166 PolarHBondContact O-ND2 2.87Å; D162-N166 VanDerWaalsContact O-ND2 3.07Å; D162-N166 PolarHBondContact OD2-ND2 3.48Å; D162-N166 VanDerWaalsContact OD2-ND2 3.07Å
163	R	88.6	Confident	86.1	Confident	124 Å²	124	66.7 Å²	66.7	47%	0.468	33%	0.333	S	S	.	.	H	α-helix	trans	-58	-44.1	174.2	-175.9	174	176.5	173.7	-3.1	112.2	N123 I159 I160 N166 L167	N123-R163 PolarHBondContact O-NH2 3.09Å; I159-R163 PolarHBondContact O-N 2.87Å; I159-R163 VanDerWaalsContact O-N 3.15Å; I160-R163 PolarHBondContact O-N 3.31Å; R163-N166 PolarHBondContact O-N 3.44Å; R163-L167 VanDerWaalsContact O-CG 3.32Å; R163-L167 WeakPolarHBondContact O-CG 3.4Å; R163-L167 PolarHBondContact O-N 2.85Å; R163-L167 VanDerWaalsContact O-N 3.08Å
164	V	89	Confident	85.3	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-46.1	178.9	166.5	0	0	0	0	111.2	F120 L125 I138 V142 I144 I160 L161 D162 N166 L167 I168	F120-V164 HydrophobicContact CE1-CG1 4.15Å; F120-V164 HydrophobicContact CZ-CG1 3.77Å; L125-V164 HydrophobicContact CD1-CG2 4.13Å; I138-V164 HydrophobicContact CD1-CB 4.37Å; I138-V164 HydrophobicContact CD1-CG1 3.94Å; I138-V164 HydrophobicContact CD1-CG2 3.44Å; I138-V164 VanDerWaalsContact CD1-CG2 3.44Å; V142-V164 HydrophobicContact CG1-CB 4.42Å; V142-V164 HydrophobicContact CG1-CG1 4.18Å; V142-V164 HydrophobicContact CG1-CG2 4.32Å; I144-V164 HydrophobicContact CD1-CG1 3.76Å; I144-V164 HydrophobicContact CG1-CG1 4.2Å; I160-V164 HydrophobicContact CG2-CG2 4.25Å; I160-V164 WeakPolarHBondContact O-CB 3.37Å; I160-V164 WeakPolarHBondContact O-CG2 3.37Å; I160-V164 PolarHBondContact O-N 2.9Å; L161-V164 PolarHBondContact O-N 3.35Å; D162-V164 VanDerWaalsContact C-N 3.33Å; D162-V164 PolarHBondContact O-N 2.71Å; V164-N166 PolarHBondContact O-N 2.92Å; V164-L167 PolarHBondContact O-N 2.9Å; V164-I168 HydrophobicContact CG1-CD1 3.92Å; V164-I168 WeakPolarHBondContact O-CG1 3.27Å; V164-I168 PolarHBondContact O-N 3.11Å
165	K	90.6	Very high	84.2	Confident	66 Å²	66	73.7 Å²	73.7	29%	0.287	36%	0.358	S	S	.	.	H	α-helix	trans	-59.4	-45.1	176.4	-77.1	-172.2	174.2	-164.4	0	111.8	V150 C153 L161 D162 L167 I168 G169	V150-K165 HydrophobicContact CG1-CB 3.81Å; V150-K165 HydrophobicContact CG1-CD 4.03Å; V150-K165 HydrophobicContact CG1-CG 3.8Å; V150-K165 WeakPolarHBondContact O-CE 3.49Å; C153-K165 HydrophobicContact CB-CG 3.97Å; L161-K165 HydrophobicContact CD1-CG 4.43Å; L161-K165 HydrophobicContact CG-CD 4.33Å; L161-K165 HydrophobicContact CG-CG 4.5Å; L161-K165 WeakPolarHBondContact O-CB 3.37Å; L161-K165 WeakPolarHBondContact O-CG 3.44Å; L161-K165 PolarHBondContact O-N 3.37Å; D162-K165 PolarHBondContact O-N 3.01Å; K165-L167 VanDerWaalsContact C-N 3.29Å; K165-L167 PolarHBondContact O-N 2.85Å; K165-I168 PolarHBondContact O-N 3.07Å; K165-G169 PolarHBondContact O-N 2.66Å
166	N	88.5	Confident	82.9	Confident	88 Å²	88	78.1 Å²	78.1	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-35.1	176.8	-71.4	-32.4	0	0	0	112.6	D162 R163 V164 K170	D162-N166 WeakPolarHBondContact O-CB 3.49Å; D162-N166 PolarHBondContact O-N 3.18Å; D162-N166 PolarHBondContact O-ND2 2.87Å; D162-N166 VanDerWaalsContact O-ND2 3.07Å; D162-N166 PolarHBondContact OD2-ND2 3.48Å; D162-N166 VanDerWaalsContact OD2-ND2 3.07Å; R163-N166 PolarHBondContact O-N 3.44Å; V164-N166 PolarHBondContact O-N 2.92Å; N166-K170 WeakPolarHBondContact O-CG 3.03Å; N166-K170 PolarHBondContact O-N 3.4Å
167	L	87.9	Confident	81.7	Confident	11 Å²	11	74 Å²	74	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-69.3	-47.5	175.1	-71.7	174.5	0	0	0	111.6	L119 F120 N123 L125 R163 V164 K165 G169 K170 L171	L119-L167 HydrophobicContact CD2-CB 3.98Å; L119-L167 VanDerWaalsContact CD2-O 3.26Å; L119-L167 WeakPolarHBondContact CD2-O 3.17Å; L119-L167 HydrophobicContact CG-CB 4.46Å; F120-L167 HydrophobicContact CD1-CB 4.47Å; F120-L167 HydrophobicContact CD1-CD1 3.87Å; F120-L167 HydrophobicContact CE1-CB 4.09Å; F120-L167 HydrophobicContact CE1-CD1 4.15Å; N123-L167 HydrophobicContact CB-CD1 3.75Å; N123-L167 HydrophobicContact CB-CD2 4.03Å; N123-L167 WeakPolarHBondContact ND2-CD2 3.3Å; N123-L167 WeakPolarHBondContact OD1-CD2 3.37Å; L125-L167 HydrophobicContact CD1-CD1 3.85Å; R163-L167 VanDerWaalsContact O-CG 3.32Å; R163-L167 WeakPolarHBondContact O-CG 3.4Å; R163-L167 PolarHBondContact O-N 2.85Å; R163-L167 VanDerWaalsContact O-N 3.08Å; V164-L167 PolarHBondContact O-N 2.9Å; K165-L167 VanDerWaalsContact C-N 3.29Å; K165-L167 PolarHBondContact O-N 2.85Å; L167-G169 VanDerWaalsContact C-N 3.31Å; L167-G169 PolarHBondContact O-N 2.82Å; L167-K170 PolarHBondContact O-N 3.11Å; L167-L171 PolarHBondContact O-N 3.23Å
168	I	88.6	Confident	80.2	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.7	-39	178.5	-62.9	166.4	0	0	0	110.8	F120 I144 V150 C153 V164 K165 K170 L171 E172	F120-I168 HydrophobicContact CE1-CG1 4.3Å; F120-I168 HydrophobicContact CZ-CD1 4.09Å; F120-I168 HydrophobicContact CZ-CG1 4.01Å; I144-I168 HydrophobicContact CD1-CD1 3.98Å; I144-I168 HydrophobicContact CG1-CD1 4.5Å; I144-I168 HydrophobicContact CG2-CD1 4.37Å; V150-I168 HydrophobicContact CG2-CB 4.04Å; V150-I168 HydrophobicContact CG2-CG2 3.73Å; C153-I168 WeakPolarHBondContact SG-CD1 3.35Å; V164-I168 HydrophobicContact CG1-CD1 3.92Å; V164-I168 WeakPolarHBondContact O-CG1 3.27Å; V164-I168 PolarHBondContact O-N 3.11Å; K165-I168 PolarHBondContact O-N 3.07Å; I168-K170 VanDerWaalsContact C-N 3.34Å; I168-K170 PolarHBondContact O-N 3.18Å; I168-L171 WeakPolarHBondContact O-CB 3.46Å; I168-L171 PolarHBondContact O-N 3.29Å; I168-L171 VanDerWaalsContact O-N 3.12Å; I168-E172 PolarHBondContact O-N 2.77Å; I168-E172 VanDerWaalsContact O-N 3.14Å
169	G	86.7	Confident	78.5	Confident	17 Å²	17	79.6 Å²	79.6	18%	0.175	39%	0.394	C	S	.	.	H	α-helix	trans	-58	-43	176.7	0	0	0	0	0	112.8	K165 L167 L171 E172 E173	K165-G169 PolarHBondContact O-N 2.66Å; L167-G169 VanDerWaalsContact C-N 3.31Å; L167-G169 PolarHBondContact O-N 2.82Å; G169-L171 VanDerWaalsContact C-N 3.3Å; G169-L171 PolarHBondContact O-N 3.35Å; G169-E172 PolarHBondContact O-N 2.77Å; G169-E172 VanDerWaalsContact O-N 3.09Å; G169-E173 WeakPolarHBondContact O-CG 3.49Å; G169-E173 PolarHBondContact O-N 2.84Å
170	K	83.9	Confident	76.2	Confident	123 Å²	123	84.5 Å²	84.5	54%	0.535	41%	0.414	S	S	.	.	H	α-helix	trans	-59.8	-39.3	174.8	-71.1	175.1	-178.8	-173	0	112.8	N166 L167 I168 E172 E173 D174	N166-K170 WeakPolarHBondContact O-CG 3.03Å; N166-K170 PolarHBondContact O-N 3.4Å; L167-K170 PolarHBondContact O-N 3.11Å; I168-K170 VanDerWaalsContact C-N 3.34Å; I168-K170 PolarHBondContact O-N 3.18Å; K170-E172 VanDerWaalsContact C-N 3.28Å; K170-E172 PolarHBondContact O-N 2.86Å; K170-E173 PolarHBondContact O-N 2.78Å; K170-D174 VanDerWaalsContact O-CG 3.26Å; K170-D174 PolarHBondContact O-N 3.2Å
171	L	80.7	Confident	75.8	Confident	39 Å²	39	86.9 Å²	86.9	20%	0.204	43%	0.425	C	S	.	.	H	α-helix	trans	-65.4	-32.9	176.8	-174.5	71	0	0	0	112.2	K115 I116 L119 L167 I168 G169 R175	K115-L171 HydrophobicContact CB-CD2 4.4Å; I116-L171 HydrophobicContact CG1-CD2 3.7Å; L119-L171 HydrophobicContact CD2-CB 4.23Å; L167-L171 PolarHBondContact O-N 3.23Å; I168-L171 WeakPolarHBondContact O-CB 3.46Å; I168-L171 PolarHBondContact O-N 3.29Å; I168-L171 VanDerWaalsContact O-N 3.12Å; G169-L171 VanDerWaalsContact C-N 3.3Å; G169-L171 PolarHBondContact O-N 3.35Å; L171-R175 PolarHBondContact O-N 2.82Å
172	E	77.7	Confident	75.1	Confident	57 Å²	57	90.6 Å²	90.6	27%	0.266	44%	0.443	S	S	.	.	H	α-helix	trans	-76.1	-37.7	176.4	-67.8	-179.6	174.9	0	0	112.1	R112 I168 G169 K170 R175 N176	R112-E172 IonicContact CZ-OE1 3.29Å; R112-E172 IonicContact NH2-OE1 3.84Å; R112-E172 PolarHBondContact NH2-OE1 2.85Å; I168-E172 PolarHBondContact O-N 2.77Å; I168-E172 VanDerWaalsContact O-N 3.14Å; G169-E172 PolarHBondContact O-N 2.77Å; G169-E172 VanDerWaalsContact O-N 3.09Å; K170-E172 VanDerWaalsContact C-N 3.28Å; K170-E172 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 2.8Å; E172-N176 PolarHBondContact O-N 2.91Å; E172-N176 PolarHBondContact O-ND2 3.47Å
173	E	74.8	Confident	74.4	Confident	123 Å²	123	90.3 Å²	90.3	58%	0.575	44%	0.44	S	S	*	.	H	α-helix	trans	-62.5	-45.8	172.7	-72.3	174.5	-172.3	0	0	111.8	G169 K170 R175 N176 N177	G169-E173 WeakPolarHBondContact O-CG 3.49Å; G169-E173 PolarHBondContact O-N 2.84Å; K170-E173 PolarHBondContact O-N 2.78Å; E173-R175 VanDerWaalsContact C-N 3.25Å; E173-R175 PolarHBondContact O-N 2.77Å; E173-N176 PolarHBondContact O-N 3.14Å; E173-N177 PolarHBondContact O-N 3.49Å; E173-N177 PolarHBondContact O-ND2 2.96Å
174	D	68.9	Low	73.6	Confident	100 Å²	100	88.4 Å²	88.4	54%	0.535	44%	0.438	S	S	.	.	H	α-helix	trans	-58.3	-39	177.6	-72.3	-20.5	0	0	0	111.5	K170 N176 N177 E178	K170-D174 VanDerWaalsContact O-CG 3.26Å; K170-D174 PolarHBondContact O-N 3.2Å; D174-N176 VanDerWaalsContact C-N 3.34Å; D174-N176 PolarHBondContact O-N 3Å; D174-N177 PolarHBondContact O-N 3.01Å; D174-E178 PolarHBondContact O-N 3.49Å
175	R	64.7	Low	72.6	Confident	107 Å²	107	93.9 Å²	93.9	40%	0.404	47%	0.465	S	S	.	.	H	α-helix	trans	-67.6	-32.9	177.1	-171	-175.5	-179	-170	5.6	112.9	L171 E172 E173	L171-R175 PolarHBondContact O-N 2.82Å; E172-R175 PolarHBondContact O-N 2.8Å; E173-R175 VanDerWaalsContact C-N 3.25Å; E173-R175 PolarHBondContact O-N 2.77Å
176	N	60.9	Low	71.4	Confident	118 Å²	118	95.7 Å²	95.7	63%	0.631	48%	0.477	S	S	*	.	H	α-helix	trans	-76.7	-29.8	179	-69.4	-24.9	0	0	0	111.8	E172 E173 D174	E172-N176 PolarHBondContact O-N 2.91Å; E172-N176 PolarHBondContact O-ND2 3.47Å; E173-N176 PolarHBondContact O-N 3.14Å; D174-N176 VanDerWaalsContact C-N 3.34Å; D174-N176 PolarHBondContact O-N 3Å
177	N	60.6	Low	70.2	Confident	114 Å²	114	96.3 Å²	96.3	61%	0.61	48%	0.478	S	S	*	.	H	α-helix	trans	-77	-19.9	177.9	-70.5	-25.3	0	0	0	113.8	E173 D174 V179	E173-N177 PolarHBondContact O-N 3.49Å; E173-N177 PolarHBondContact O-ND2 2.96Å; D174-N177 PolarHBondContact O-N 3.01Å; N177-V179 PolarHBondContact O-N 2.72Å
178	E	56	Low	68.8	Low	166 Å²	166	102.8 Å²	102.8	78%	0.776	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-3.1	175.9	-74.6	-177	168.3	0	0	114.1	D174	D174-E178 PolarHBondContact O-N 3.49Å
179	V	52	Low	67.2	Low	128 Å²	128	111.4 Å²	111.4	78%	0.776	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	5.4	-173.4	-170.4	0	0	0	0	113.3	N177	N177-V179 PolarHBondContact O-N 2.72Å
180	E	39.1	Very low	65.4	Low	245 Å²	245	120 Å²	120	100%	1.145	59%	0.587	S	S	*	*			trans	-94.4	0	166.4	-107.6	-173.9	168.4	0	0	112.1

Retrieved 180 of 180 residues in 360.1 ms (Link to these results)

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