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Response regulator SaeR

Member of the two-component regulatory system SaeR/SaeS involved in the regulation of staphylococcal virulence factors in a strain-dependent fashion. Probably functions as a transcriptional regulator via a specific DNA-binding domain, recognizing motifs near the promoter sequences of target genes. SaeR/SaeS activates the expression of exoproteins involved in adhesion and invasion of host cells, including hemolysins (Hla, Hlb), Coa, DNase, Spa and cell wall-associated proteins (Emp, Eap, FnbA). Acts probably downstream of the Agr system in the regulatory cascade of virulence factors.

AlphaFold DB , UniProt , Accession Q2G2G2, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene saeR, Length 228 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	84.5	Confident	94.9	Very high	181 Å²	181	44.4 Å²	44.4	89%	0.892	22%	0.22	S	C	*	.				0	127.2	0	-164.1	158.4	88.9	0	0	105.5	G25 K27	M1-G25 WeakPolarHBondContact CG-O 3.34Å; M1-K27 HydrophobicContact CE-CB 3.7Å; M1-K27 HydrophobicContact CE-CG 4.5Å
2	T	92.8	Very high	94.9	Very high	38 Å²	38	52.2 Å²	52.2	23%	0.233	26%	0.264	C	S	.	.			trans	-73.9	129.8	-173.7	-62.2	0	0	0	0	110.2	Y26 K27 D46 I47 L116	T2-Y26 HydrophobicContact CG2-CD1 3.87Å; T2-Y26 HydrophobicContact CG2-CE1 3.62Å; T2-K27 PolarHBondContact O-N 3.44Å; T2-D46 VanDerWaalsContact CA-OD2 3.24Å; T2-D46 WeakPolarHBondContact CA-OD2 3.09Å; T2-D46 HydrophobicContact CG2-CB 3.62Å; T2-I47 HydrophobicContact CG2-CG2 4.39Å; T2-L116 HydrophobicContact CG2-CD1 3.76Å
3	H	97.4	Very high	94.7	Very high	17 Å²	17	50.5 Å²	50.5	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.9	178.4	-167.1	175.1	0	0	0	110.4	K27 T29 D44 D46 I47	H3-K27 CarbonylContact C-O 3.53Å; H3-K27 VanDerWaalsContact CA-O 3.31Å; H3-K27 WeakPolarHBondContact CA-O 3.29Å; H3-K27 HydrophobicContact CB-CB 4.39Å; H3-K27 HydrophobicContact CB-CD 4.26Å; H3-K27 PolarHBondContact CD2-O 3.46Å; H3-K27 VanDerWaalsContact CD2-O 3.31Å; H3-K27 PolarHBondContact CE1-NZ 3.45Å; H3-K27 VanDerWaalsContact CE1-NZ 3.28Å; H3-K27 PolarHBondContact ND1-NZ 3.31Å; H3-T29 PolarHBondContact NE2-OG1 3.43Å; H3-D44 VanDerWaalsContact CB-O 3.29Å; H3-D44 WeakPolarHBondContact CB-O 3.32Å; H3-D44 PolarHBondContact ND1-O 3.25Å; H3-D46 PolarHBondContact N-OD2 3.37Å; H3-D46 PolarHBondContact O-N 2.83Å; H3-I47 PolarHBondContact O-N 3.36Å
4	L	97.6	Very high	94.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.6	176.8	169.3	64.3	0	0	0	110.4	I6 F21 Y26 K27 V28 T29 I47 V49 I112	L4-I6 HydrophobicContact CD1-CG1 4.27Å; L4-I6 HydrophobicContact CD2-CD1 3.83Å; L4-I6 HydrophobicContact CD2-CG1 3.76Å; L4-I6 HydrophobicContact CG-CD1 4.34Å; L4-I6 HydrophobicContact CG-CG1 3.75Å; L4-F21 HydrophobicContact CD2-CB 3.94Å; L4-F21 HydrophobicContact CD2-CD1 3.51Å; L4-F21 HydrophobicContact CD2-CD2 3.45Å; L4-F21 VanDerWaalsContact CD2-CD2 3.45Å; L4-F21 HydrophobicContact CD2-CE1 3.81Å; L4-F21 HydrophobicContact CD2-CE2 3.77Å; L4-F21 HydrophobicContact CD2-CG 3.34Å; L4-F21 HydrophobicContact CD2-CZ 3.95Å; L4-Y26 HydrophobicContact CB-CD1 4.13Å; L4-K27 PolarHBondContact N-O 2.99Å; L4-V28 WeakPolarHBondContact O-CA 3.5Å; L4-T29 PolarHBondContact O-N 3.13Å; L4-I47 WeakPolarHBondContact CA-O 3.46Å; L4-I47 HydrophobicContact CB-CG2 4.26Å; L4-I47 HydrophobicContact CD1-CG2 3.79Å; L4-V49 HydrophobicContact CD1-CB 4.45Å; L4-V49 HydrophobicContact CD1-CG2 3.83Å; L4-I112 HydrophobicContact CD1-CD1 4.01Å; L4-I112 HydrophobicContact CD2-CD1 4.33Å
5	L	98.3	Very high	94.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.2	165.1	175.4	64.4	0	0	0	109.6	V7 T29 T31 L40 I45 I47 M48 V49	L5-V7 HydrophobicContact CD1-CG2 4.13Å; L5-V7 HydrophobicContact CD2-CG2 3.99Å; L5-V7 HydrophobicContact CG-CG2 3.75Å; L5-T29 CarbonylContact C-O 3.37Å; L5-T29 WeakPolarHBondContact CA-O 3.48Å; L5-T29 HydrophobicContact CD1-CG2 3.9Å; L5-T31 HydrophobicContact CD1-CG2 4.41Å; L5-L40 HydrophobicContact CD1-CD1 4.04Å; L5-I45 HydrophobicContact CB-CD1 4.02Å; L5-I45 HydrophobicContact CB-CG1 4.45Å; L5-I45 HydrophobicContact CB-CG2 3.9Å; L5-I45 HydrophobicContact CD2-CD1 3.76Å; L5-I45 HydrophobicContact CG-CD1 4.44Å; L5-I47 PolarHBondContact N-O 2.96Å; L5-M48 HydrophobicContact CB-CG 4.2Å; L5-M48 HydrophobicContact CD2-CG 4.37Å; L5-M48 HydrophobicContact CD2-SD 4.12Å; L5-M48 CarbonylContact O-C 3.57Å; L5-M48 WeakPolarHBondContact O-CA 3.42Å; L5-V49 PolarHBondContact O-N 2.86Å
6	I	98	Very high	94.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127	174.5	-51.5	179.3	0	0	0	108.6	L4 C17 F21 V28 T29 T30 T31	L4-I6 HydrophobicContact CD1-CG1 4.27Å; L4-I6 HydrophobicContact CD2-CD1 3.83Å; L4-I6 HydrophobicContact CD2-CG1 3.76Å; L4-I6 HydrophobicContact CG-CD1 4.34Å; L4-I6 HydrophobicContact CG-CG1 3.75Å; I6-C17 HydrophobicContact CD1-CB 3.77Å; I6-F21 HydrophobicContact CD1-CD2 3.96Å; I6-V28 HydrophobicContact CD1-CG1 3.65Å; I6-V28 HydrophobicContact CG1-CG1 3.95Å; I6-T29 PolarHBondContact N-O 3.11Å; I6-T30 HydrophobicContact CB-CG2 4.23Å; I6-T30 WeakPolarHBondContact O-CA 3.35Å; I6-T31 PolarHBondContact O-N 3.28Å; I6-T31 VanDerWaalsContact O-N 3.09Å
7	V	97.3	Very high	94.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	113.5	-178.7	-167.7	0	0	0	0	109.3	L5 T31 A37 V49 L50 D51 M54 I62	L5-V7 HydrophobicContact CD1-CG2 4.13Å; L5-V7 HydrophobicContact CD2-CG2 3.99Å; L5-V7 HydrophobicContact CG-CG2 3.75Å; V7-T31 WeakPolarHBondContact CA-O 3.36Å; V7-T31 HydrophobicContact CB-CG2 4.47Å; V7-T31 HydrophobicContact CG1-CG2 4.06Å; V7-T31 HydrophobicContact CG2-CG2 3.99Å; V7-A37 HydrophobicContact CB-CB 4.4Å; V7-A37 HydrophobicContact CG1-CB 3.72Å; V7-A37 HydrophobicContact CG2-CB 3.74Å; V7-V49 PolarHBondContact N-O 3.34Å; V7-L50 HydrophobicContact CB-CD2 3.82Å; V7-L50 HydrophobicContact CG2-CD2 3.59Å; V7-L50 CarbonylContact O-C 3.54Å; V7-D51 PolarHBondContact O-N 2.81Å; V7-M54 HydrophobicContact CG1-CE 3.52Å; V7-M54 HydrophobicContact CG1-SD 3.65Å; V7-I62 HydrophobicContact CG1-CD1 3.94Å
8	D	95.7	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.			trans	-157.7	135.7	179.9	-164	-58.1	0	0	0	108	E10 I13 V14 T31 T32 D51 L78 K101	D8-E10 PolarHBondContact O-N 3.21Å; D8-E10 WeakPolarHBondContact OD1-CB 3.32Å; D8-E10 PolarHBondContact OD1-N 2.85Å; D8-I13 WeakPolarHBondContact OD2-CG2 3.23Å; D8-V14 HydrophobicContact CB-CG2 3.79Å; D8-V14 VanDerWaalsContact O-CG2 3.28Å; D8-V14 WeakPolarHBondContact O-CG2 3.49Å; D8-T31 PolarHBondContact N-O 3.16Å; D8-T32 VanDerWaalsContact O-CA 3.26Å; D8-T32 WeakPolarHBondContact O-CA 3.44Å; D8-T32 WeakPolarHBondContact O-CG2 3.18Å; D8-D51 HydrophobicContact CB-CB 4.17Å; D8-L78 WeakPolarHBondContact OD2-CD1 3.21Å; D8-K101 VanDerWaalsContact CG-NZ 3.31Å; D8-K101 IonicContact OD1-NZ 2.62Å; D8-K101 PolarHBondContact OD1-NZ 3.48Å; D8-K101 VanDerWaalsContact OD1-NZ 3.15Å; D8-K101 WeakPolarHBondContact OD2-CE 3.41Å; D8-K101 IonicContact OD2-NZ 2.65Å; D8-K101 PolarHBondContact OD2-NZ 3.09Å
9	D	94.4	Very high	95.1	Very high	64 Å²	64	49.4 Å²	49.4	34%	0.342	26%	0.255	S	S	.	.	S	Bend	trans	-75	-14.1	-178.5	64.2	-51.9	0	0	0	112.7	Q11 M54 P55	D9-Q11 PolarHBondContact O-N 2.94Å; D9-M54 HydrophobicContact CB-CB 4.49Å; D9-M54 HydrophobicContact CB-CG 4.05Å; D9-P55 HydrophobicContact CB-CG 4.46Å
10	E	94.1	Very high	95.2	Very high	96 Å²	96	51.9 Å²	51.9	45%	0.449	26%	0.262	S	S	.	.			trans	-86.5	102.1	174.3	-58.2	-177.7	-103.4	0	0	111.1	D8 D12 I13 V14 K101	D8-E10 PolarHBondContact O-N 3.21Å; D8-E10 WeakPolarHBondContact OD1-CB 3.32Å; D8-E10 PolarHBondContact OD1-N 2.85Å; E10-D12 PolarHBondContact O-N 3.22Å; E10-D12 VanDerWaalsContact O-N 3.14Å; E10-I13 HydrophobicContact CB-CB 4.16Å; E10-I13 HydrophobicContact CB-CD1 3.89Å; E10-I13 HydrophobicContact CB-CG1 3.89Å; E10-I13 VanDerWaalsContact CD-CD1 3.47Å; E10-I13 HydrophobicContact CG-CD1 4.23Å; E10-I13 WeakPolarHBondContact O-CB 3.27Å; E10-I13 PolarHBondContact O-N 3.36Å; E10-I13 WeakPolarHBondContact OE1-CD1 3.45Å; E10-V14 PolarHBondContact O-N 3.01Å; E10-V14 VanDerWaalsContact O-N 3.11Å; E10-K101 IonicContact OE1-NZ 2.73Å; E10-K101 PolarHBondContact OE1-NZ 3.22Å
11	Q	94.3	Very high	95.3	Very high	91 Å²	91	49.4 Å²	49.4	43%	0.425	25%	0.249	S	C	.	.	H	α-helix	trans	-52.8	-38.7	-179.8	-171.2	67.4	58	0	0	113.2	D9 I13 V14 D15	D9-Q11 PolarHBondContact O-N 2.94Å; Q11-I13 VanDerWaalsContact C-N 3.28Å; Q11-I13 PolarHBondContact O-N 3.34Å; Q11-V14 WeakPolarHBondContact O-CB 3.4Å; Q11-V14 PolarHBondContact O-N 3.18Å; Q11-D15 PolarHBondContact NE2-OD1 3.17Å; Q11-D15 WeakPolarHBondContact O-CB 3.43Å; Q11-D15 VanDerWaalsContact O-CG 3.28Å; Q11-D15 PolarHBondContact O-N 3.48Å
12	D	93.8	Very high	95.9	Very high	138 Å²	138	45.3 Å²	45.3	74%	0.738	23%	0.228	S	C	*	.	H	α-helix	trans	-62.5	-36	179.1	-69.3	-18.3	0	0	0	112	E10 I16	E10-D12 PolarHBondContact O-N 3.22Å; E10-D12 VanDerWaalsContact O-N 3.14Å; D12-I16 WeakPolarHBondContact O-CB 3.23Å; D12-I16 WeakPolarHBondContact O-CG2 3.19Å; D12-I16 PolarHBondContact O-N 2.86Å; D12-I16 VanDerWaalsContact O-N 3.17Å
13	I	92.4	Very high	96	Very high	31 Å²	31	52.8 Å²	52.8	16%	0.159	25%	0.253	C	S	.	.	H	α-helix	trans	-71.9	-41.5	176.2	-62.4	-176.3	0	0	0	110.2	D8 E10 Q11 I16 C17 K101 F103	D8-I13 WeakPolarHBondContact OD2-CG2 3.23Å; E10-I13 HydrophobicContact CB-CB 4.16Å; E10-I13 HydrophobicContact CB-CD1 3.89Å; E10-I13 HydrophobicContact CB-CG1 3.89Å; E10-I13 VanDerWaalsContact CD-CD1 3.47Å; E10-I13 HydrophobicContact CG-CD1 4.23Å; E10-I13 WeakPolarHBondContact O-CB 3.27Å; E10-I13 PolarHBondContact O-N 3.36Å; E10-I13 WeakPolarHBondContact OE1-CD1 3.45Å; Q11-I13 VanDerWaalsContact C-N 3.28Å; Q11-I13 PolarHBondContact O-N 3.34Å; I13-I16 WeakPolarHBondContact O-CG2 3.37Å; I13-C17 VanDerWaalsContact O-CB 3.29Å; I13-C17 WeakPolarHBondContact O-CB 3.44Å; I13-C17 PolarHBondContact O-N 3.36Å; I13-C17 PolarHBondContact O-SG 3.2Å; I13-K101 HydrophobicContact CD1-CD 4.17Å; I13-F103 HydrophobicContact CG2-CZ 4.19Å
14	V	95.9	Very high	95.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-51.4	175.9	174.1	0	0	0	0	110.9	D8 E10 Q11 I16 C17 Q18 T30 T32	D8-V14 HydrophobicContact CB-CG2 3.79Å; D8-V14 VanDerWaalsContact O-CG2 3.28Å; D8-V14 WeakPolarHBondContact O-CG2 3.49Å; E10-V14 PolarHBondContact O-N 3.01Å; E10-V14 VanDerWaalsContact O-N 3.11Å; Q11-V14 WeakPolarHBondContact O-CB 3.4Å; Q11-V14 PolarHBondContact O-N 3.18Å; V14-I16 PolarHBondContact O-N 2.75Å; V14-C17 PolarHBondContact O-N 2.83Å; V14-Q18 VanDerWaalsContact O-CB 3.27Å; V14-Q18 WeakPolarHBondContact O-CB 3.26Å; V14-Q18 PolarHBondContact O-N 3Å; V14-T30 HydrophobicContact CG1-CG2 3.58Å; V14-T32 HydrophobicContact CG2-CG2 4.15Å
15	D	96	Very high	95.7	Very high	71 Å²	71	58.6 Å²	58.6	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-64.1	-44.1	-175.3	-72.2	-7.4	0	0	0	111.9	Q11 T19	Q11-D15 PolarHBondContact NE2-OD1 3.17Å; Q11-D15 WeakPolarHBondContact O-CB 3.43Å; Q11-D15 VanDerWaalsContact O-CG 3.28Å; Q11-D15 PolarHBondContact O-N 3.48Å; D15-T19 WeakPolarHBondContact O-CB 3.44Å; D15-T19 PolarHBondContact O-N 3.26Å; D15-T19 PolarHBondContact O-OG1 3.02Å
16	I	95.7	Very high	95.6	Very high	77 Å²	77	59.5 Å²	59.5	40%	0.395	30%	0.295	S	S	.	.	H	α-helix	trans	-69	-40.6	179.5	-164.1	66.3	0	0	0	111.1	D12 I13 V14 Y20 P105	D12-I16 WeakPolarHBondContact O-CB 3.23Å; D12-I16 WeakPolarHBondContact O-CG2 3.19Å; D12-I16 PolarHBondContact O-N 2.86Å; D12-I16 VanDerWaalsContact O-N 3.17Å; I13-I16 WeakPolarHBondContact O-CG2 3.37Å; V14-I16 PolarHBondContact O-N 2.75Å; I16-Y20 HydrophobicContact CD1-CD2 4.23Å; I16-Y20 HydrophobicContact CD1-CE2 3.84Å; I16-Y20 HydrophobicContact CG1-CD2 4.23Å; I16-Y20 HydrophobicContact CG1-CE2 4.07Å; I16-Y20 VanDerWaalsContact O-CD2 3.23Å; I16-Y20 WeakPolarHBondContact O-CD2 3.08Å; I16-Y20 PolarHBondContact O-N 2.96Å; I16-P105 HydrophobicContact CG1-CG 3.86Å; I16-P105 HydrophobicContact CG2-CG 4.08Å
17	C	95.8	Very high	95.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.007	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-45.6	176.4	-66.6	0	0	0	0	111	I6 I13 V14 T19 Y20 F21	I6-C17 HydrophobicContact CD1-CB 3.77Å; I13-C17 VanDerWaalsContact O-CB 3.29Å; I13-C17 WeakPolarHBondContact O-CB 3.44Å; I13-C17 PolarHBondContact O-N 3.36Å; I13-C17 PolarHBondContact O-SG 3.2Å; V14-C17 PolarHBondContact O-N 2.83Å; C17-T19 VanDerWaalsContact C-N 3.32Å; C17-T19 PolarHBondContact O-N 3.47Å; C17-Y20 PolarHBondContact O-N 3.14Å; C17-F21 HydrophobicContact CB-CD2 4.41Å; C17-F21 VanDerWaalsContact O-CD2 3.23Å; C17-F21 WeakPolarHBondContact O-CD2 3.31Å; C17-F21 PolarHBondContact O-N 3.09Å
18	Q	97.1	Very high	95.7	Very high	47 Å²	47	65.1 Å²	65.1	22%	0.22	32%	0.321	C	S	.	.	H	α-helix	trans	-53.6	-49.9	176.7	178.7	174.2	-3.9	0	0	111.3	V14 Y20 F21 E22 V28 T30	V14-Q18 VanDerWaalsContact O-CB 3.27Å; V14-Q18 WeakPolarHBondContact O-CB 3.26Å; V14-Q18 PolarHBondContact O-N 3Å; Q18-Y20 VanDerWaalsContact C-N 3.32Å; Q18-Y20 PolarHBondContact O-N 2.86Å; Q18-F21 PolarHBondContact O-N 3.42Å; Q18-E22 HydrophobicContact CG-CG 4.15Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.44Å; Q18-E22 PolarHBondContact NE2-OE1 2.86Å; Q18-E22 WeakPolarHBondContact O-CB 3.35Å; Q18-E22 WeakPolarHBondContact O-CG 3.44Å; Q18-E22 PolarHBondContact O-N 3.11Å; Q18-V28 HydrophobicContact CB-CG1 4.27Å; Q18-V28 HydrophobicContact CG-CB 4.17Å; Q18-V28 HydrophobicContact CG-CG1 4.04Å; Q18-T30 HydrophobicContact CB-CG2 3.95Å; Q18-T30 HydrophobicContact CG-CG2 4.15Å; Q18-T30 PolarHBondContact OE1-OG1 2.99Å
19	T	96.6	Very high	95.8	Very high	85 Å²	85	67 Å²	67	52%	0.521	33%	0.333	S	S	.	.	H	α-helix	trans	-56.4	-45.6	179.4	-58.7	0	0	0	0	112	D15 C17 Y23	D15-T19 WeakPolarHBondContact O-CB 3.44Å; D15-T19 PolarHBondContact O-N 3.26Å; D15-T19 PolarHBondContact O-OG1 3.02Å; C17-T19 VanDerWaalsContact C-N 3.32Å; C17-T19 PolarHBondContact O-N 3.47Å; T19-Y23 WeakPolarHBondContact O-CB 3.39Å; T19-Y23 PolarHBondContact O-N 3.31Å; T19-Y23 VanDerWaalsContact O-N 3.09Å
20	Y	96.9	Very high	95.9	Very high	99 Å²	99	65.9 Å²	65.9	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-67.9	-40.3	179.9	-88.6	-107.1	0	0	0	112.4	I16 C17 Q18 E24 P105 R106	I16-Y20 HydrophobicContact CD1-CD2 4.23Å; I16-Y20 HydrophobicContact CD1-CE2 3.84Å; I16-Y20 HydrophobicContact CG1-CD2 4.23Å; I16-Y20 HydrophobicContact CG1-CE2 4.07Å; I16-Y20 VanDerWaalsContact O-CD2 3.23Å; I16-Y20 WeakPolarHBondContact O-CD2 3.08Å; I16-Y20 PolarHBondContact O-N 2.96Å; C17-Y20 PolarHBondContact O-N 3.14Å; Q18-Y20 VanDerWaalsContact C-N 3.32Å; Q18-Y20 PolarHBondContact O-N 2.86Å; Y20-E24 VanDerWaalsContact O-CG 3.32Å; Y20-E24 WeakPolarHBondContact O-CG 3.28Å; Y20-E24 PolarHBondContact O-N 3Å; Y20-P105 HydrophobicContact CD1-CB 3.99Å; Y20-P105 HydrophobicContact CD2-CB 3.83Å; Y20-P105 HydrophobicContact CD2-CG 4.43Å; Y20-P105 HydrophobicContact CE1-CB 4.33Å; Y20-P105 HydrophobicContact CE2-CB 4.17Å; Y20-P105 HydrophobicContact CE2-CG 4.42Å; Y20-P105 HydrophobicContact CG-CB 3.71Å; Y20-R106 HydrophobicContact CD1-CB 4.48Å; Y20-R106 HydrophobicContact CE1-CB 4.22Å
21	F	97.3	Very high	96.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-73.2	-39.7	-179.9	-83.4	-71	0	0	0	112.8	L4 I6 C17 Q18 Y23 E24 G25 Y26 V28 L108 V109 I112	L4-F21 HydrophobicContact CD2-CB 3.94Å; L4-F21 HydrophobicContact CD2-CD1 3.51Å; L4-F21 HydrophobicContact CD2-CD2 3.45Å; L4-F21 VanDerWaalsContact CD2-CD2 3.45Å; L4-F21 HydrophobicContact CD2-CE1 3.81Å; L4-F21 HydrophobicContact CD2-CE2 3.77Å; L4-F21 HydrophobicContact CD2-CG 3.34Å; L4-F21 HydrophobicContact CD2-CZ 3.95Å; I6-F21 HydrophobicContact CD1-CD2 3.96Å; C17-F21 HydrophobicContact CB-CD2 4.41Å; C17-F21 VanDerWaalsContact O-CD2 3.23Å; C17-F21 WeakPolarHBondContact O-CD2 3.31Å; C17-F21 PolarHBondContact O-N 3.09Å; Q18-F21 PolarHBondContact O-N 3.42Å; F21-Y23 VanDerWaalsContact C-N 3.31Å; F21-Y23 PolarHBondContact O-N 2.92Å; F21-E24 CarbonylContact O-C 3.59Å; F21-E24 PolarHBondContact O-N 3.43Å; F21-E24 VanDerWaalsContact O-N 3.16Å; F21-G25 PolarHBondContact O-N 2.58Å; F21-Y26 HydrophobicContact CB-CG 4.43Å; F21-Y26 HydrophobicContact CD1-CD1 4.33Å; F21-Y26 AromaticContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CE2 4.05Å; F21-Y26 AromaticContact CD1-CG 3.99Å; F21-Y26 HydrophobicContact CD1-CG 3.99Å; F21-Y26 WeakPolarHBondContact O-CB 3.32Å; F21-Y26 WeakPolarHBondContact O-CD2 3.31Å; F21-Y26 PolarHBondContact O-N 3.5Å; F21-V28 HydrophobicContact CB-CG2 3.63Å; F21-L108 HydrophobicContact CE2-CD2 3.9Å; F21-L108 HydrophobicContact CE2-CG 3.98Å; F21-L108 HydrophobicContact CZ-CD2 4.35Å; F21-L108 HydrophobicContact CZ-CG 3.93Å; F21-V109 HydrophobicContact CD1-CG2 3.89Å; F21-V109 HydrophobicContact CD2-CG2 4.29Å; F21-V109 HydrophobicContact CE1-CB 4.17Å; F21-V109 HydrophobicContact CE1-CG2 3.65Å; F21-V109 HydrophobicContact CE2-CG2 4.07Å; F21-V109 HydrophobicContact CG-CG2 4.19Å; F21-V109 HydrophobicContact CZ-CB 4.3Å; F21-V109 HydrophobicContact CZ-CG2 3.72Å; F21-I112 HydrophobicContact CE1-CB 4.13Å; F21-I112 HydrophobicContact CE1-CD1 3.7Å; F21-I112 HydrophobicContact CE1-CG1 4.35Å; F21-I112 HydrophobicContact CE1-CG2 4.29Å; F21-I112 HydrophobicContact CE2-CD1 4.31Å; F21-I112 HydrophobicContact CZ-CB 4.38Å; F21-I112 HydrophobicContact CZ-CD1 3.4Å; F21-I112 HydrophobicContact CZ-CG1 4.16Å
22	E	96.7	Very high	96.2	Very high	95 Å²	95	60 Å²	60	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-39.4	173.6	-72.3	-178.6	172.6	0	0	111.4	Q18 E24 G25 V28	Q18-E22 HydrophobicContact CG-CG 4.15Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.44Å; Q18-E22 PolarHBondContact NE2-OE1 2.86Å; Q18-E22 WeakPolarHBondContact O-CB 3.35Å; Q18-E22 WeakPolarHBondContact O-CG 3.44Å; Q18-E22 PolarHBondContact O-N 3.11Å; E22-E24 PolarHBondContact O-N 3.2Å; E22-G25 PolarHBondContact O-N 3.36Å; E22-V28 HydrophobicContact CG-CB 4.14Å; E22-V28 HydrophobicContact CG-CG2 3.71Å
23	Y	95.2	Very high	96.2	Very high	195 Å²	195	55.4 Å²	55.4	77%	0.765	28%	0.284	S	S	*	.	H	α-helix	trans	-59.5	-35.6	173.4	179.6	-94.9	0	0	0	112.5	T19 F21 G25	T19-Y23 WeakPolarHBondContact O-CB 3.39Å; T19-Y23 PolarHBondContact O-N 3.31Å; T19-Y23 VanDerWaalsContact O-N 3.09Å; F21-Y23 VanDerWaalsContact C-N 3.31Å; F21-Y23 PolarHBondContact O-N 2.92Å; Y23-G25 PolarHBondContact O-N 2.86Å
24	E	93.5	Very high	96.3	Very high	98 Å²	98	54 Å²	54	46%	0.458	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	4.3	175.7	-66.2	-77.4	145.4	0	0	113.2	Y20 F21 E22 Y26 V109	Y20-E24 VanDerWaalsContact O-CG 3.32Å; Y20-E24 WeakPolarHBondContact O-CG 3.28Å; Y20-E24 PolarHBondContact O-N 3Å; F21-E24 CarbonylContact O-C 3.59Å; F21-E24 PolarHBondContact O-N 3.43Å; F21-E24 VanDerWaalsContact O-N 3.16Å; E22-E24 PolarHBondContact O-N 3.2Å; E24-Y26 HydrophobicContact CB-CD2 3.97Å; E24-Y26 HydrophobicContact CB-CE2 4.09Å; E24-V109 HydrophobicContact CB-CG1 4.46Å; E24-V109 HydrophobicContact CG-CG1 3.68Å; E24-V109 HydrophobicContact CG-CG2 4.38Å
25	G	94.7	Very high	96.2	Very high	42 Å²	42	59.8 Å²	59.8	43%	0.433	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	21.5	174.1	0	0	0	0	0	114.8	M1 F21 E22 Y23	M1-G25 WeakPolarHBondContact CG-O 3.34Å; F21-G25 PolarHBondContact O-N 2.58Å; E22-G25 PolarHBondContact O-N 3.36Å; Y23-G25 PolarHBondContact O-N 2.86Å
26	Y	97	Very high	96.3	Very high	18 Å²	18	60.9 Å²	60.9	7%	0.071	31%	0.305	C	S	.	.			trans	-81.2	147.7	172.3	-72.3	-105.8	0	0	0	111.2	T2 L4 F21 E24 I112 N113 L116	T2-Y26 HydrophobicContact CG2-CD1 3.87Å; T2-Y26 HydrophobicContact CG2-CE1 3.62Å; L4-Y26 HydrophobicContact CB-CD1 4.13Å; F21-Y26 HydrophobicContact CB-CG 4.43Å; F21-Y26 HydrophobicContact CD1-CD1 4.33Å; F21-Y26 AromaticContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CD2 3.83Å; F21-Y26 HydrophobicContact CD1-CE2 4.05Å; F21-Y26 AromaticContact CD1-CG 3.99Å; F21-Y26 HydrophobicContact CD1-CG 3.99Å; F21-Y26 WeakPolarHBondContact O-CB 3.32Å; F21-Y26 WeakPolarHBondContact O-CD2 3.31Å; F21-Y26 PolarHBondContact O-N 3.5Å; E24-Y26 HydrophobicContact CB-CD2 3.97Å; E24-Y26 HydrophobicContact CB-CE2 4.09Å; Y26-I112 HydrophobicContact CE1-CG2 4.03Å; Y26-N113 PolarHBondContact OH-OD1 3.38Å; Y26-L116 HydrophobicContact CE1-CD1 3.91Å; Y26-L116 WeakPolarHBondContact OH-CD1 3.48Å
27	K	97.9	Very high	96.3	Very high	101 Å²	101	57.2 Å²	57.2	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.8	158.9	179.5	-174.4	170.8	-155.7	0	106.5	M1 T2 H3 L4	M1-K27 HydrophobicContact CE-CB 3.7Å; M1-K27 HydrophobicContact CE-CG 4.5Å; T2-K27 PolarHBondContact O-N 3.44Å; H3-K27 CarbonylContact C-O 3.53Å; H3-K27 VanDerWaalsContact CA-O 3.31Å; H3-K27 WeakPolarHBondContact CA-O 3.29Å; H3-K27 HydrophobicContact CB-CB 4.39Å; H3-K27 HydrophobicContact CB-CD 4.26Å; H3-K27 PolarHBondContact CD2-O 3.46Å; H3-K27 VanDerWaalsContact CD2-O 3.31Å; H3-K27 PolarHBondContact CE1-NZ 3.45Å; H3-K27 VanDerWaalsContact CE1-NZ 3.28Å; H3-K27 PolarHBondContact ND1-NZ 3.31Å; L4-K27 PolarHBondContact N-O 2.99Å
28	V	98	Very high	96.3	Very high	18 Å²	18	59.3 Å²	59.3	11%	0.109	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130	-177.3	-169.8	0	0	0	0	109.8	L4 I6 Q18 F21 E22 T30	L4-V28 WeakPolarHBondContact O-CA 3.5Å; I6-V28 HydrophobicContact CD1-CG1 3.65Å; I6-V28 HydrophobicContact CG1-CG1 3.95Å; Q18-V28 HydrophobicContact CB-CG1 4.27Å; Q18-V28 HydrophobicContact CG-CB 4.17Å; Q18-V28 HydrophobicContact CG-CG1 4.04Å; F21-V28 HydrophobicContact CB-CG2 3.63Å; E22-V28 HydrophobicContact CG-CB 4.14Å; E22-V28 HydrophobicContact CG-CG2 3.71Å; V28-T30 HydrophobicContact CG1-CG2 3.72Å
29	T	98.3	Very high	96.3	Very high	40 Å²	40	61.4 Å²	61.4	25%	0.245	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.5	162.8	-64.1	0	0	0	0	107.6	H3 L4 L5 I6 L40	H3-T29 PolarHBondContact NE2-OG1 3.43Å; L4-T29 PolarHBondContact O-N 3.13Å; L5-T29 CarbonylContact C-O 3.37Å; L5-T29 WeakPolarHBondContact CA-O 3.48Å; L5-T29 HydrophobicContact CD1-CG2 3.9Å; I6-T29 PolarHBondContact N-O 3.11Å; T29-L40 HydrophobicContact CG2-CD1 3.96Å; T29-L40 HydrophobicContact CG2-CD2 4.41Å
30	T	97.7	Very high	96.3	Very high	41 Å²	41	59.9 Å²	59.9	25%	0.252	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.6	-177	56.9	0	0	0	0	110.6	I6 V14 Q18 V28	I6-T30 HydrophobicContact CB-CG2 4.23Å; I6-T30 WeakPolarHBondContact O-CA 3.35Å; V14-T30 HydrophobicContact CG1-CG2 3.58Å; Q18-T30 HydrophobicContact CB-CG2 3.95Å; Q18-T30 HydrophobicContact CG-CG2 4.15Å; Q18-T30 PolarHBondContact OE1-OG1 2.99Å; V28-T30 HydrophobicContact CG1-CG2 3.72Å
31	T	97.3	Very high	96.3	Very high	6 Å²	6	55.8 Å²	55.8	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	147.6	168	175.3	0	0	0	0	110	L5 I6 V7 D8 S33 E36 A37 L40	L5-T31 HydrophobicContact CD1-CG2 4.41Å; I6-T31 PolarHBondContact O-N 3.28Å; I6-T31 VanDerWaalsContact O-N 3.09Å; V7-T31 WeakPolarHBondContact CA-O 3.36Å; V7-T31 HydrophobicContact CB-CG2 4.47Å; V7-T31 HydrophobicContact CG1-CG2 4.06Å; V7-T31 HydrophobicContact CG2-CG2 3.99Å; D8-T31 PolarHBondContact N-O 3.16Å; T31-S33 PolarHBondContact OG1-N 2.94Å; T31-S33 VanDerWaalsContact OG1-N 3.08Å; T31-S33 PolarHBondContact OG1-O 3.16Å; T31-E36 WeakPolarHBondContact CB-OE2 3.24Å; T31-E36 WeakPolarHBondContact OG1-CB 3.3Å; T31-E36 PolarHBondContact OG1-OE2 2.8Å; T31-A37 HydrophobicContact CG2-CB 3.83Å; T31-L40 HydrophobicContact CG2-CD1 3.91Å
32	T	96.4	Very high	96.2	Very high	56 Å²	56	57.7 Å²	57.7	34%	0.344	30%	0.303	S	S	.	.	S	Bend	trans	-99.2	6.5	173.9	55.7	0	0	0	0	112.8	D8 V14	D8-T32 VanDerWaalsContact O-CA 3.26Å; D8-T32 WeakPolarHBondContact O-CA 3.44Å; D8-T32 WeakPolarHBondContact O-CG2 3.18Å; V14-T32 HydrophobicContact CG2-CG2 4.15Å
33	S	94.7	Very high	95.9	Very high	43 Å²	43	59.7 Å²	59.7	30%	0.301	32%	0.317	S	S	.	.			trans	-121.9	120.6	-177.3	-178.5	0	0	0	0	111.3	T31 K35 E36 A37	T31-S33 PolarHBondContact OG1-N 2.94Å; T31-S33 VanDerWaalsContact OG1-N 3.08Å; T31-S33 PolarHBondContact OG1-O 3.16Å; S33-K35 PolarHBondContact O-N 2.83Å; S33-K35 PolarHBondContact OG-N 2.95Å; S33-E36 PolarHBondContact O-N 3.06Å; S33-E36 VanDerWaalsContact O-N 3.12Å; S33-A37 PolarHBondContact O-N 2.77Å
34	G	93.7	Very high	95.8	Very high	2 Å²	2	56.1 Å²	56.1	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-27.9	174.2	0	0	0	0	0	113.5	I38	G34-I38 WeakPolarHBondContact O-CG1 3.34Å; G34-I38 PolarHBondContact O-N 2.89Å; G34-I38 VanDerWaalsContact O-N 3.13Å
35	K	94.8	Very high	95.9	Very high	120 Å²	120	51.9 Å²	51.9	52%	0.522	29%	0.292	S	S	.	.	H	α-helix	trans	-67.8	-43.9	173.6	-73.2	178.3	175.9	163.6	0	111.9	S33 I38 S39 E56 V57	S33-K35 PolarHBondContact O-N 2.83Å; S33-K35 PolarHBondContact OG-N 2.95Å; K35-I38 PolarHBondContact O-N 2.87Å; K35-S39 PolarHBondContact O-N 3.09Å; K35-E56 WeakPolarHBondContact CE-OE2 3.46Å; K35-E56 IonicContact NZ-OE2 2.83Å; K35-E56 PolarHBondContact NZ-OE2 2.96Å; K35-V57 HydrophobicContact CG-CB 4.49Å; K35-V57 HydrophobicContact CG-CG2 3.59Å
36	E	96.3	Very high	95.8	Very high	95 Å²	95	53.3 Å²	53.3	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-67	-41	175.8	-176.5	177.8	-156.9	0	0	110.5	T31 S33 I38 S39 L40	T31-E36 WeakPolarHBondContact CB-OE2 3.24Å; T31-E36 WeakPolarHBondContact OG1-CB 3.3Å; T31-E36 PolarHBondContact OG1-OE2 2.8Å; S33-E36 PolarHBondContact O-N 3.06Å; S33-E36 VanDerWaalsContact O-N 3.12Å; E36-I38 VanDerWaalsContact C-N 3.27Å; E36-I38 PolarHBondContact O-N 3.28Å; E36-S39 CarbonylContact O-C 3.46Å; E36-S39 WeakPolarHBondContact O-CA 3.36Å; E36-S39 WeakPolarHBondContact O-CB 3.44Å; E36-S39 PolarHBondContact O-N 3.32Å; E36-S39 PolarHBondContact O-OG 2.61Å; E36-L40 HydrophobicContact CG-CD1 4.04Å; E36-L40 HydrophobicContact CG-CG 4.34Å; E36-L40 WeakPolarHBondContact O-CG 3.35Å; E36-L40 PolarHBondContact O-N 3.43Å
37	A	96.5	Very high	95.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-53.1	-44.6	174.8	0	0	0	0	0	112.2	V7 T31 S33 S39 L40 L41 I62	V7-A37 HydrophobicContact CB-CB 4.4Å; V7-A37 HydrophobicContact CG1-CB 3.72Å; V7-A37 HydrophobicContact CG2-CB 3.74Å; T31-A37 HydrophobicContact CG2-CB 3.83Å; S33-A37 PolarHBondContact O-N 2.77Å; A37-S39 VanDerWaalsContact C-N 3.28Å; A37-S39 PolarHBondContact O-N 2.9Å; A37-L40 PolarHBondContact O-N 3.08Å; A37-L40 VanDerWaalsContact O-N 3.13Å; A37-L41 WeakPolarHBondContact O-CG 3.43Å; A37-L41 PolarHBondContact O-N 3.38Å; A37-I62 HydrophobicContact CB-CD1 3.74Å; A37-I62 HydrophobicContact CB-CG1 4.26Å
38	I	96.4	Very high	95.7	Very high	45 Å²	45	47.6 Å²	47.6	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-57.9	-39.2	174.1	-76.4	172.7	0	0	0	112.4	G34 K35 E36 L40 V57 I62 E65	G34-I38 WeakPolarHBondContact O-CG1 3.34Å; G34-I38 PolarHBondContact O-N 2.89Å; G34-I38 VanDerWaalsContact O-N 3.13Å; K35-I38 PolarHBondContact O-N 2.87Å; E36-I38 VanDerWaalsContact C-N 3.27Å; E36-I38 PolarHBondContact O-N 3.28Å; I38-L40 VanDerWaalsContact C-N 3.32Å; I38-V57 HydrophobicContact CD1-CG1 3.71Å; I38-V57 HydrophobicContact CG1-CG1 4.48Å; I38-I62 HydrophobicContact CG1-CG1 4.3Å; I38-E65 HydrophobicContact CB-CG 4.3Å; I38-E65 HydrophobicContact CD1-CB 4.15Å; I38-E65 HydrophobicContact CD1-CG 4.19Å; I38-E65 HydrophobicContact CG1-CB 4.01Å; I38-E65 HydrophobicContact CG1-CG 3.93Å; I38-E65 HydrophobicContact CG2-CG 3.61Å
39	S	96.2	Very high	95.6	Very high	90 Å²	90	46.8 Å²	46.8	63%	0.629	26%	0.26	S	S	*	.	H	α-helix	trans	-74	-22.4	178.6	72.6	0	0	0	0	113.8	K35 E36 A37	K35-S39 PolarHBondContact O-N 3.09Å; E36-S39 CarbonylContact O-C 3.46Å; E36-S39 WeakPolarHBondContact O-CA 3.36Å; E36-S39 WeakPolarHBondContact O-CB 3.44Å; E36-S39 PolarHBondContact O-N 3.32Å; E36-S39 PolarHBondContact O-OG 2.61Å; A37-S39 VanDerWaalsContact C-N 3.28Å; A37-S39 PolarHBondContact O-N 2.9Å
40	L	97	Very high	95.4	Very high	54 Å²	54	44.9 Å²	44.9	28%	0.283	25%	0.248	S	C	.	.	H	α-helix	trans	-84	-16.8	178	-67.6	170.2	0	0	0	113.3	L5 T29 T31 E36 A37 I38 S42 I45	L5-L40 HydrophobicContact CD1-CD1 4.04Å; T29-L40 HydrophobicContact CG2-CD1 3.96Å; T29-L40 HydrophobicContact CG2-CD2 4.41Å; T31-L40 HydrophobicContact CG2-CD1 3.91Å; E36-L40 HydrophobicContact CG-CD1 4.04Å; E36-L40 HydrophobicContact CG-CG 4.34Å; E36-L40 WeakPolarHBondContact O-CG 3.35Å; E36-L40 PolarHBondContact O-N 3.43Å; A37-L40 PolarHBondContact O-N 3.08Å; A37-L40 VanDerWaalsContact O-N 3.13Å; I38-L40 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 3.34Å; L40-S42 PolarHBondContact O-OG 3.36Å; L40-I45 WeakPolarHBondContact O-CD1 3.46Å
41	L	96.8	Very high	95.1	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.068	24%	0.238	C	C	.	.			trans	-54.1	122.1	179.5	-67.9	175.8	0	0	0	111.3	A37 M48 I62 E65 M66 L71 I73	A37-L41 WeakPolarHBondContact O-CG 3.43Å; A37-L41 PolarHBondContact O-N 3.38Å; L41-M48 HydrophobicContact CD2-CE 4.44Å; L41-M48 HydrophobicContact CD2-SD 3.6Å; L41-I62 HydrophobicContact CD2-CG2 4.3Å; L41-E65 HydrophobicContact CD1-CB 4.25Å; L41-E65 HydrophobicContact CD1-CG 4.07Å; L41-M66 HydrophobicContact CD1-CB 3.98Å; L41-M66 HydrophobicContact CD2-CB 4.17Å; L41-M66 HydrophobicContact CD2-CG 4.45Å; L41-L71 HydrophobicContact CB-CD1 3.76Å; L41-I73 HydrophobicContact CD2-CD1 4.42Å
42	S	94.3	Very high	94.7	Very high	40 Å²	40	43 Å²	43	28%	0.28	24%	0.237	S	C	.	.			trans	-161.3	163.4	-179.5	60.6	0	0	0	0	110.8	L40 D44 I45 I73	L40-S42 PolarHBondContact O-N 3.34Å; L40-S42 PolarHBondContact O-OG 3.36Å; S42-D44 PolarHBondContact O-N 2.84Å; S42-D44 VanDerWaalsContact O-N 3.17Å; S42-I45 PolarHBondContact O-N 3.05Å; S42-I73 WeakPolarHBondContact O-CD1 3.34Å
43	N	91.3	Very high	94.1	Very high	136 Å²	136	44.9 Å²	44.9	73%	0.727	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.3	175.4	-71.4	-55.5	0	0	0	113.7	I45 L71	N43-I45 VanDerWaalsContact C-N 3.28Å; N43-L71 WeakPolarHBondContact OD1-CD2 3.47Å
44	D	93.3	Very high	93.9	Very high	120 Å²	120	43.6 Å²	43.6	64%	0.642	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-12.6	176.7	-67.8	-23.8	0	0	0	112.4	H3 S42	H3-D44 VanDerWaalsContact CB-O 3.29Å; H3-D44 WeakPolarHBondContact CB-O 3.32Å; H3-D44 PolarHBondContact ND1-O 3.25Å; S42-D44 PolarHBondContact O-N 2.84Å; S42-D44 VanDerWaalsContact O-N 3.17Å
45	I	96	Very high	93.5	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.046	26%	0.256	C	S	.	.			trans	-87.8	122.5	177	-59	168.3	0	0	0	108.9	L5 L40 S42 N43 I47 M48 I73	L5-I45 HydrophobicContact CB-CD1 4.02Å; L5-I45 HydrophobicContact CB-CG1 4.45Å; L5-I45 HydrophobicContact CB-CG2 3.9Å; L5-I45 HydrophobicContact CD2-CD1 3.76Å; L5-I45 HydrophobicContact CG-CD1 4.44Å; L40-I45 WeakPolarHBondContact O-CD1 3.46Å; S42-I45 PolarHBondContact O-N 3.05Å; N43-I45 VanDerWaalsContact C-N 3.28Å; I45-I47 VanDerWaalsContact CG2-O 3.28Å; I45-I47 WeakPolarHBondContact CG2-O 3.26Å; I45-M48 HydrophobicContact CG2-CG 3.89Å; I45-I73 HydrophobicContact CB-CD1 4.11Å; I45-I73 HydrophobicContact CB-CG2 4.36Å; I45-I73 HydrophobicContact CG2-CD1 4.48Å; I45-I73 HydrophobicContact CG2-CG2 3.83Å; I45-I73 WeakPolarHBondContact O-CG2 3.4Å
46	D	92.9	Very high	93.1	Very high	72 Å²	72	48.9 Å²	48.9	39%	0.385	27%	0.265	S	S	.	.	S	Bend	trans	-86.8	-27.9	179.8	-66.5	-61.1	0	0	0	112.8	T2 H3 P74	T2-D46 VanDerWaalsContact CA-OD2 3.24Å; T2-D46 WeakPolarHBondContact CA-OD2 3.09Å; T2-D46 HydrophobicContact CG2-CB 3.62Å; H3-D46 PolarHBondContact N-OD2 3.37Å; H3-D46 PolarHBondContact O-N 2.83Å; D46-P74 WeakPolarHBondContact O-CD 3.44Å
47	I	95.1	Very high	92.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	149.8	179	-173.5	166.3	0	0	0	111	T2 H3 L4 L5 I45 P74 I76 I112 L115	T2-I47 HydrophobicContact CG2-CG2 4.39Å; H3-I47 PolarHBondContact O-N 3.36Å; L4-I47 WeakPolarHBondContact CA-O 3.46Å; L4-I47 HydrophobicContact CB-CG2 4.26Å; L4-I47 HydrophobicContact CD1-CG2 3.79Å; L5-I47 PolarHBondContact N-O 2.96Å; I45-I47 VanDerWaalsContact CG2-O 3.28Å; I45-I47 WeakPolarHBondContact CG2-O 3.26Å; I47-P74 CarbonylContact C-O 3.59Å; I47-P74 VanDerWaalsContact CA-O 3.31Å; I47-P74 WeakPolarHBondContact CA-O 3.44Å; I47-P74 HydrophobicContact CG1-CB 4.34Å; I47-P74 WeakPolarHBondContact CG1-O 3.32Å; I47-I76 HydrophobicContact CD1-CD1 4.38Å; I47-I76 HydrophobicContact CD1-CG1 4.43Å; I47-I112 HydrophobicContact CD1-CB 4.29Å; I47-I112 HydrophobicContact CD1-CD1 4.16Å; I47-I112 HydrophobicContact CD1-CG1 3.89Å; I47-I112 HydrophobicContact CD1-CG2 3.83Å; I47-I112 HydrophobicContact CG2-CG2 4.28Å; I47-L115 HydrophobicContact CD1-CD1 4.33Å; I47-L115 HydrophobicContact CD1-CD2 4.15Å
48	M	95.8	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146	174.3	-55	-174.1	-63.8	0	0	112.5	L5 L41 I45 L50 M66 I73 P74 F75 I76	L5-M48 HydrophobicContact CB-CG 4.2Å; L5-M48 HydrophobicContact CD2-CG 4.37Å; L5-M48 HydrophobicContact CD2-SD 4.12Å; L5-M48 CarbonylContact O-C 3.57Å; L5-M48 WeakPolarHBondContact O-CA 3.42Å; L41-M48 HydrophobicContact CD2-CE 4.44Å; L41-M48 HydrophobicContact CD2-SD 3.6Å; I45-M48 HydrophobicContact CG2-CG 3.89Å; M48-L50 HydrophobicContact CB-CD2 4.05Å; M48-L50 HydrophobicContact CB-CG 4.08Å; M48-L50 HydrophobicContact CE-CD1 4.11Å; M48-L50 HydrophobicContact SD-CD2 4.44Å; M48-M66 HydrophobicContact CE-CG 4.3Å; M48-M66 HydrophobicContact CE-SD 3.29Å; M48-M66 WeakPolarHBondContact CE-SD 3.41Å; M48-I73 HydrophobicContact CE-CB 4.21Å; M48-I73 HydrophobicContact CE-CG2 4.39Å; M48-I73 HydrophobicContact CG-CB 4.49Å; M48-I73 HydrophobicContact CG-CG2 3.74Å; M48-I73 HydrophobicContact SD-CD1 4.25Å; M48-I73 HydrophobicContact SD-CG2 4.41Å; M48-P74 PolarHBondContact N-O 3.04Å; M48-F75 HydrophobicContact CB-CB 4.02Å; M48-F75 HydrophobicContact CE-CB 3.9Å; M48-F75 HydrophobicContact CE-CG 4.48Å; M48-F75 WeakPolarHBondContact O-CA 3.21Å; M48-I76 PolarHBondContact O-N 3.35Å
49	V	96.1	Very high	92.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.3	163.8	173.8	0	0	0	0	107.2	L4 L5 V7 I76 L78 L108 I112	L4-V49 HydrophobicContact CD1-CB 4.45Å; L4-V49 HydrophobicContact CD1-CG2 3.83Å; L5-V49 PolarHBondContact O-N 2.86Å; V7-V49 PolarHBondContact N-O 3.34Å; V49-I76 WeakPolarHBondContact CA-O 3.48Å; V49-L78 HydrophobicContact CG1-CD1 3.63Å; V49-L78 HydrophobicContact CG1-CD2 3.7Å; V49-L78 HydrophobicContact CG1-CG 3.6Å; V49-L108 HydrophobicContact CG1-CD2 4.04Å; V49-L108 HydrophobicContact CG2-CD1 4.23Å; V49-L108 HydrophobicContact CG2-CD2 4.25Å; V49-I112 HydrophobicContact CG2-CD1 3.53Å
50	L	94.4	Very high	91.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.1	-170.8	-56.9	177.7	0	0	0	110.2	V7 M48 I52 I62 V63 F75 I76 Y77 L78	V7-L50 HydrophobicContact CB-CD2 3.82Å; V7-L50 HydrophobicContact CG2-CD2 3.59Å; V7-L50 CarbonylContact O-C 3.54Å; M48-L50 HydrophobicContact CB-CD2 4.05Å; M48-L50 HydrophobicContact CB-CG 4.08Å; M48-L50 HydrophobicContact CE-CD1 4.11Å; M48-L50 HydrophobicContact SD-CD2 4.44Å; L50-I52 PolarHBondContact O-N 3.4Å; L50-I62 HydrophobicContact CD1-CG2 4.28Å; L50-I62 HydrophobicContact CD2-CD1 4.35Å; L50-I62 HydrophobicContact CD2-CG2 4.17Å; L50-V63 HydrophobicContact CD1-CG2 3.46Å; L50-V63 VanDerWaalsContact CD1-CG2 3.46Å; L50-F75 HydrophobicContact CD1-CB 4.35Å; L50-F75 HydrophobicContact CD1-CD2 4.43Å; L50-I76 PolarHBondContact N-O 2.97Å; L50-Y77 HydrophobicContact CB-CD1 3.94Å; L50-Y77 HydrophobicContact CB-CE1 4.15Å; L50-Y77 HydrophobicContact CD1-CE1 4.1Å; L50-Y77 CarbonylContact O-C 3.49Å; L50-Y77 WeakPolarHBondContact O-CA 3.41Å; L50-L78 PolarHBondContact O-N 2.75Å
51	D	92.2	Very high	91.3	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	132	159.6	-164.4	-11.4	0	0	0	109.5	V7 D8 M53 M54 G59 K101	V7-D51 PolarHBondContact O-N 2.81Å; D8-D51 HydrophobicContact CB-CB 4.17Å; D51-M53 PolarHBondContact OD1-N 3.01Å; D51-M54 HydrophobicContact CB-CG 3.99Å; D51-M54 HydrophobicContact CB-SD 4.38Å; D51-G59 WeakPolarHBondContact O-CA 3.19Å; D51-G59 PolarHBondContact O-N 3.47Å; D51-K101 IonicContact OD2-NZ 2.95Å; D51-K101 PolarHBondContact OD2-NZ 2.63Å
52	I	87.8	Confident	91.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.222	C	C	.	.	S	Bend	trans	-66.1	-48.8	170.9	-67.4	172.1	0	0	0	109.5	L50 M54 N58 G59 Y60 Y77 L78 A90	L50-I52 PolarHBondContact O-N 3.4Å; I52-M54 PolarHBondContact O-N 3.4Å; I52-N58 VanDerWaalsContact O-CB 3.22Å; I52-N58 WeakPolarHBondContact O-CB 3.43Å; I52-G59 PolarHBondContact O-N 2.79Å; I52-Y60 HydrophobicContact CD1-CE1 4.21Å; I52-Y60 HydrophobicContact CG1-CE1 4.09Å; I52-Y60 HydrophobicContact CG2-CD2 4.19Å; I52-Y60 HydrophobicContact CG2-CE1 3.99Å; I52-Y60 HydrophobicContact CG2-CE2 3.43Å; I52-Y60 VanDerWaalsContact CG2-CE2 3.43Å; I52-Y60 WeakPolarHBondContact CG2-OH 3.44Å; I52-Y77 HydrophobicContact CD1-CD1 4.41Å; I52-Y77 HydrophobicContact CD1-CG 4.06Å; I52-Y77 HydrophobicContact CG1-CD1 3.6Å; I52-Y77 HydrophobicContact CG1-CD2 4.48Å; I52-Y77 HydrophobicContact CG1-CE1 4.28Å; I52-Y77 HydrophobicContact CG1-CG 3.74Å; I52-L78 WeakPolarHBondContact CG1-O 3.04Å; I52-L78 PolarHBondContact N-O 2.97Å; I52-L78 VanDerWaalsContact N-O 3.17Å; I52-A90 HydrophobicContact CD1-CB 3.91Å
53	M	85.1	Confident	91	Very high	95 Å²	95	39.7 Å²	39.7	47%	0.468	21%	0.209	S	C	.	.			trans	-99	75.5	-163.2	-69	-63.1	-69.5	0	0	112	D51	D51-M53 PolarHBondContact OD1-N 3.01Å
54	M	89.3	Confident	90.9	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.079	21%	0.205	C	C	.	.			trans	-111.7	151.6	175.1	-66.9	-173.3	-64.2	0	0	112.8	V7 D9 D51 I52 V57 I62	V7-M54 HydrophobicContact CG1-CE 3.52Å; V7-M54 HydrophobicContact CG1-SD 3.65Å; D9-M54 HydrophobicContact CB-CB 4.49Å; D9-M54 HydrophobicContact CB-CG 4.05Å; D51-M54 HydrophobicContact CB-CG 3.99Å; D51-M54 HydrophobicContact CB-SD 4.38Å; I52-M54 PolarHBondContact O-N 3.4Å; M54-V57 WeakPolarHBondContact CB-O 3.45Å; M54-I62 HydrophobicContact CE-CD1 3.52Å
55	P	85.9	Confident	90.9	Very high	81 Å²	81	35.6 Å²	35.6	53%	0.526	18%	0.179	S	C	.	.	S	Bend	trans	-67	149.1	174.7	27.6	-33.8	0	0	0	112.1	D9 V57	D9-P55 HydrophobicContact CB-CG 4.46Å; P55-V57 PolarHBondContact O-N 2.68Å
56	E	87.2	Confident	90.8	Very high	152 Å²	152	35.2 Å²	35.2	71%	0.71	18%	0.177	S	C	*	.	S	Bend	trans	64.4	-50.5	178.4	-50.6	-173.1	171.6	0	0	116.6	K35	K35-E56 WeakPolarHBondContact CE-OE2 3.46Å; K35-E56 IonicContact NZ-OE2 2.83Å; K35-E56 PolarHBondContact NZ-OE2 2.96Å
57	V	88.7	Confident	90.5	Very high	17 Å²	17	35 Å²	35	10%	0.103	17%	0.173	C	C	.	.	S	Bend	trans	-136.3	113.9	179.8	175.2	0	0	0	0	107.5	K35 I38 M54 P55 D61 I62	K35-V57 HydrophobicContact CG-CB 4.49Å; K35-V57 HydrophobicContact CG-CG2 3.59Å; I38-V57 HydrophobicContact CD1-CG1 3.71Å; I38-V57 HydrophobicContact CG1-CG1 4.48Å; M54-V57 WeakPolarHBondContact CB-O 3.45Å; P55-V57 PolarHBondContact O-N 2.68Å; V57-D61 HydrophobicContact CG1-CB 3.79Å; V57-I62 HydrophobicContact CG1-CG1 3.98Å
58	N	89.5	Confident	90.2	Very high	48 Å²	48	43.9 Å²	43.9	26%	0.257	21%	0.206	S	C	.	.			trans	-91.4	172.3	-175.4	72.4	33.6	0	0	0	111.2	I52 Y60 D61 I62	I52-N58 VanDerWaalsContact O-CB 3.22Å; I52-N58 WeakPolarHBondContact O-CB 3.43Å; N58-Y60 PolarHBondContact O-N 2.88Å; N58-Y60 VanDerWaalsContact O-N 3.17Å; N58-Y60 WeakPolarHBondContact OD1-CA 3.11Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.14Å; N58-Y60 PolarHBondContact OD1-N 3.16Å; N58-D61 PolarHBondContact N-OD2 2.88Å; N58-D61 PolarHBondContact ND2-OD2 2.73Å; N58-D61 PolarHBondContact O-N 2.88Å; N58-D61 VanDerWaalsContact O-N 3.14Å; N58-D61 PolarHBondContact OD1-N 3.31Å; N58-D61 PolarHBondContact OD1-OD2 2.79Å; N58-I62 PolarHBondContact O-N 3.15Å
59	G	89.3	Confident	90	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-31.5	-179.7	0	0	0	0	0	113.8	D51 I52 I62 V63	D51-G59 WeakPolarHBondContact O-CA 3.19Å; D51-G59 PolarHBondContact O-N 3.47Å; I52-G59 PolarHBondContact O-N 2.79Å; G59-I62 PolarHBondContact O-N 3.05Å; G59-V63 PolarHBondContact O-N 3.42Å; G59-V63 VanDerWaalsContact O-N 3.16Å
60	Y	87.5	Confident	89.5	Confident	16 Å²	16	57 Å²	57	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-40.2	177.9	-52.3	-47.2	0	0	0	112.8	I52 N58 I62 V63 K64 Y77 D86 Y89 A90 L93	I52-Y60 HydrophobicContact CD1-CE1 4.21Å; I52-Y60 HydrophobicContact CG1-CE1 4.09Å; I52-Y60 HydrophobicContact CG2-CD2 4.19Å; I52-Y60 HydrophobicContact CG2-CE1 3.99Å; I52-Y60 HydrophobicContact CG2-CE2 3.43Å; I52-Y60 VanDerWaalsContact CG2-CE2 3.43Å; I52-Y60 WeakPolarHBondContact CG2-OH 3.44Å; N58-Y60 PolarHBondContact O-N 2.88Å; N58-Y60 VanDerWaalsContact O-N 3.17Å; N58-Y60 WeakPolarHBondContact OD1-CA 3.11Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.14Å; N58-Y60 PolarHBondContact OD1-N 3.16Å; Y60-I62 VanDerWaalsContact C-N 3.3Å; Y60-I62 PolarHBondContact O-N 2.78Å; Y60-V63 PolarHBondContact O-N 2.75Å; Y60-K64 WeakPolarHBondContact O-CB 3.3Å; Y60-K64 PolarHBondContact O-N 2.96Å; Y60-Y77 HydrophobicContact CD1-CE1 4.2Å; Y60-Y77 HydrophobicContact CD1-CE2 4.12Å; Y60-Y77 AromaticContact CD1-CZ 3.68Å; Y60-Y77 WeakPolarHBondContact CD1-OH 3.49Å; Y60-Y77 HydrophobicContact CE1-CE1 4.48Å; Y60-Y77 HydrophobicContact CE1-CE2 4.03Å; Y60-D86 PolarHBondContact OH-O 2.88Å; Y60-Y89 AromaticContact CD1-CD1 3.81Å; Y60-Y89 HydrophobicContact CD1-CD1 3.81Å; Y60-Y89 AromaticContact CD1-CE1 4Å; Y60-Y89 HydrophobicContact CD1-CE1 4Å; Y60-Y89 AromaticContact CD2-CD1 3.55Å; Y60-Y89 HydrophobicContact CD2-CD1 3.55Å; Y60-Y89 AromaticContact CD2-CE1 3.62Å; Y60-Y89 HydrophobicContact CD2-CE1 3.62Å; Y60-Y89 AromaticContact CE1-CD1 3.73Å; Y60-Y89 HydrophobicContact CE1-CD1 3.73Å; Y60-Y89 HydrophobicContact CE1-CE1 4.39Å; Y60-Y89 AromaticContact CE2-CD1 3.46Å; Y60-Y89 HydrophobicContact CE2-CD1 3.46Å; Y60-Y89 VanDerWaalsContact CE2-CD1 3.46Å; Y60-Y89 HydrophobicContact CE2-CE1 4.04Å; Y60-Y89 HydrophobicContact CE2-CG 4.41Å; Y60-Y89 AromaticContact CG-CD1 3.69Å; Y60-Y89 HydrophobicContact CG-CD1 3.69Å; Y60-Y89 AromaticContact CG-CE1 3.56Å; Y60-Y89 HydrophobicContact CG-CE1 3.56Å; Y60-Y89 AromaticContact CZ-CD1 3.53Å; Y60-A90 HydrophobicContact CE1-CB 3.8Å; Y60-A90 PolarHBondContact OH-N 3.06Å; Y60-L93 HydrophobicContact CD1-CD1 3.31Å; Y60-L93 HydrophobicContact CE1-CD1 4.12Å; Y60-L93 HydrophobicContact CG-CD1 3.75Å
61	D	90	Very high	89.3	Confident	63 Å²	63	57.7 Å²	57.7	34%	0.337	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-39.8	176.8	-66.2	-45.1	0	0	0	110.7	V57 N58 K64 E65	V57-D61 HydrophobicContact CG1-CB 3.79Å; N58-D61 PolarHBondContact N-OD2 2.88Å; N58-D61 PolarHBondContact ND2-OD2 2.73Å; N58-D61 PolarHBondContact O-N 2.88Å; N58-D61 VanDerWaalsContact O-N 3.14Å; N58-D61 PolarHBondContact OD1-N 3.31Å; N58-D61 PolarHBondContact OD1-OD2 2.79Å; D61-K64 PolarHBondContact O-N 3.21Å; D61-E65 WeakPolarHBondContact O-CB 3.29Å; D61-E65 PolarHBondContact O-N 2.62Å
62	I	93.3	Very high	88.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-48	175.6	-61.4	168	0	0	0	110.7	V7 A37 I38 L41 L50 M54 V57 N58 G59 Y60 K64 E65 M66	V7-I62 HydrophobicContact CG1-CD1 3.94Å; A37-I62 HydrophobicContact CB-CD1 3.74Å; A37-I62 HydrophobicContact CB-CG1 4.26Å; I38-I62 HydrophobicContact CG1-CG1 4.3Å; L41-I62 HydrophobicContact CD2-CG2 4.3Å; L50-I62 HydrophobicContact CD1-CG2 4.28Å; L50-I62 HydrophobicContact CD2-CD1 4.35Å; L50-I62 HydrophobicContact CD2-CG2 4.17Å; M54-I62 HydrophobicContact CE-CD1 3.52Å; V57-I62 HydrophobicContact CG1-CG1 3.98Å; N58-I62 PolarHBondContact O-N 3.15Å; G59-I62 PolarHBondContact O-N 3.05Å; Y60-I62 VanDerWaalsContact C-N 3.3Å; Y60-I62 PolarHBondContact O-N 2.78Å; I62-K64 VanDerWaalsContact C-N 3.34Å; I62-K64 PolarHBondContact O-N 2.91Å; I62-E65 WeakPolarHBondContact O-CB 3.38Å; I62-E65 PolarHBondContact O-N 2.65Å; I62-M66 WeakPolarHBondContact O-CB 3.5Å; I62-M66 PolarHBondContact O-N 2.87Å
63	V	90.7	Very high	89.1	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.5	-37.3	179.2	170	0	0	0	0	111.9	L50 G59 Y60 E65 M66 K67 F75 Y77	L50-V63 HydrophobicContact CD1-CG2 3.46Å; L50-V63 VanDerWaalsContact CD1-CG2 3.46Å; G59-V63 PolarHBondContact O-N 3.42Å; G59-V63 VanDerWaalsContact O-N 3.16Å; Y60-V63 PolarHBondContact O-N 2.75Å; V63-E65 VanDerWaalsContact C-N 3.27Å; V63-E65 PolarHBondContact O-N 3.19Å; V63-M66 HydrophobicContact CG1-CE 4.34Å; V63-M66 PolarHBondContact O-N 2.63Å; V63-K67 HydrophobicContact CG1-CD 4.16Å; V63-K67 WeakPolarHBondContact O-CB 3.47Å; V63-K67 VanDerWaalsContact O-CG 3.31Å; V63-K67 WeakPolarHBondContact O-CG 3.2Å; V63-K67 PolarHBondContact O-N 3.26Å; V63-F75 HydrophobicContact CB-CZ 4.42Å; V63-F75 HydrophobicContact CG1-CE1 3.83Å; V63-F75 HydrophobicContact CG1-CE2 4.14Å; V63-F75 HydrophobicContact CG1-CZ 3.57Å; V63-F75 HydrophobicContact CG2-CD1 4.28Å; V63-F75 HydrophobicContact CG2-CD2 3.78Å; V63-F75 HydrophobicContact CG2-CE1 4.21Å; V63-F75 HydrophobicContact CG2-CE2 3.7Å; V63-F75 HydrophobicContact CG2-CG 4.09Å; V63-F75 HydrophobicContact CG2-CZ 3.94Å; V63-Y77 WeakPolarHBondContact CB-OH 3.05Å; V63-Y77 HydrophobicContact CG2-CE1 4.07Å; V63-Y77 WeakPolarHBondContact CG2-OH 3.25Å
64	K	89.3	Confident	89.3	Confident	150 Å²	150	56.9 Å²	56.9	65%	0.652	27%	0.266	S	S	*	.	H	α-helix	trans	-61	-41.2	174	-175.7	-179.7	179.3	-177.9	0	110.7	Y60 D61 I62 R68	Y60-K64 WeakPolarHBondContact O-CB 3.3Å; Y60-K64 PolarHBondContact O-N 2.96Å; D61-K64 PolarHBondContact O-N 3.21Å; I62-K64 VanDerWaalsContact C-N 3.34Å; I62-K64 PolarHBondContact O-N 2.91Å; K64-R68 WeakPolarHBondContact O-CB 3.19Å; K64-R68 PolarHBondContact O-N 3.36Å
65	E	92.8	Very high	89.4	Confident	20 Å²	20	56.1 Å²	56.1	9%	0.093	26%	0.263	C	S	.	.	H	α-helix	trans	-69.1	-46.3	177.9	-173.5	52.7	-144.7	0	0	112.8	I38 L41 D61 I62 V63 K67 R68 Q69	I38-E65 HydrophobicContact CB-CG 4.3Å; I38-E65 HydrophobicContact CD1-CB 4.15Å; I38-E65 HydrophobicContact CD1-CG 4.19Å; I38-E65 HydrophobicContact CG1-CB 4.01Å; I38-E65 HydrophobicContact CG1-CG 3.93Å; I38-E65 HydrophobicContact CG2-CG 3.61Å; L41-E65 HydrophobicContact CD1-CB 4.25Å; L41-E65 HydrophobicContact CD1-CG 4.07Å; D61-E65 WeakPolarHBondContact O-CB 3.29Å; D61-E65 PolarHBondContact O-N 2.62Å; I62-E65 WeakPolarHBondContact O-CB 3.38Å; I62-E65 PolarHBondContact O-N 2.65Å; V63-E65 VanDerWaalsContact C-N 3.27Å; V63-E65 PolarHBondContact O-N 3.19Å; E65-K67 VanDerWaalsContact C-N 3.28Å; E65-K67 PolarHBondContact O-N 3.35Å; E65-R68 WeakPolarHBondContact O-CA 3.35Å; E65-R68 WeakPolarHBondContact O-CB 3.28Å; E65-R68 PolarHBondContact O-N 3.17Å; E65-R68 IonicContact OE1-CZ 3.17Å; E65-R68 IonicContact OE1-NE 3.1Å; E65-R68 PolarHBondContact OE1-NE 3.38Å; E65-R68 VanDerWaalsContact OE1-NE 3.1Å; E65-R68 IonicContact OE1-NH2 2.67Å; E65-R68 PolarHBondContact OE1-NH2 3.21Å; E65-R68 IonicContact OE2-CZ 2.72Å; E65-R68 IonicContact OE2-NE 2.96Å; E65-R68 PolarHBondContact OE2-NE 3.13Å; E65-R68 IonicContact OE2-NH1 3.25Å; E65-R68 PolarHBondContact OE2-NH1 3.01Å; E65-R68 IonicContact OE2-NH2 2.81Å; E65-R68 PolarHBondContact OE2-NH2 2.66Å; E65-Q69 WeakPolarHBondContact O-CG 3.39Å; E65-Q69 PolarHBondContact O-N 2.89Å; E65-Q69 PolarHBondContact OE1-NE2 3.45Å
66	M	93.3	Very high	89.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-50.9	-49.5	172.4	178.4	-159.2	74.3	0	0	111	L41 M48 I62 V63 R68 Q69 K70 L71 I73 F75	L41-M66 HydrophobicContact CD1-CB 3.98Å; L41-M66 HydrophobicContact CD2-CB 4.17Å; L41-M66 HydrophobicContact CD2-CG 4.45Å; M48-M66 HydrophobicContact CE-CG 4.3Å; M48-M66 HydrophobicContact CE-SD 3.29Å; M48-M66 WeakPolarHBondContact CE-SD 3.41Å; I62-M66 WeakPolarHBondContact O-CB 3.5Å; I62-M66 PolarHBondContact O-N 2.87Å; V63-M66 HydrophobicContact CG1-CE 4.34Å; V63-M66 PolarHBondContact O-N 2.63Å; M66-R68 PolarHBondContact O-N 3.3Å; M66-Q69 CarbonylContact O-C 3.46Å; M66-Q69 PolarHBondContact O-N 3.26Å; M66-K70 PolarHBondContact O-N 3.31Å; M66-L71 HydrophobicContact CG-CB 3.59Å; M66-L71 HydrophobicContact CG-CD1 4.41Å; M66-L71 WeakPolarHBondContact O-CB 3.49Å; M66-L71 PolarHBondContact O-N 3.44Å; M66-I73 HydrophobicContact CG-CD1 4.22Å; M66-I73 HydrophobicContact SD-CB 3.75Å; M66-I73 HydrophobicContact SD-CD1 4.3Å; M66-I73 HydrophobicContact SD-CG1 4.25Å; M66-F75 HydrophobicContact CE-CD1 4.17Å; M66-F75 HydrophobicContact CE-CE1 4.14Å
67	K	87.5	Confident	89.7	Confident	69 Å²	69	45 Å²	45	30%	0.3	20%	0.204	S	C	.	.	H	α-helix	trans	-65.7	-37.5	178.1	-71.2	175.8	-176.6	173.3	0	112.5	V63 E65 Q69 K70 L93	V63-K67 HydrophobicContact CG1-CD 4.16Å; V63-K67 WeakPolarHBondContact O-CB 3.47Å; V63-K67 VanDerWaalsContact O-CG 3.31Å; V63-K67 WeakPolarHBondContact O-CG 3.2Å; V63-K67 PolarHBondContact O-N 3.26Å; E65-K67 VanDerWaalsContact C-N 3.28Å; E65-K67 PolarHBondContact O-N 3.35Å; K67-Q69 VanDerWaalsContact C-N 3.25Å; K67-Q69 PolarHBondContact O-N 3.12Å; K67-K70 WeakPolarHBondContact O-CA 3.44Å; K67-K70 PolarHBondContact O-N 2.86Å; K67-L93 PolarHBondContact NZ-O 2.87Å
68	R	89.4	Confident	89.7	Confident	185 Å²	185	44.2 Å²	44.2	70%	0.698	20%	0.199	S	C	*	.	H	α-helix	trans	-61.1	-36.9	175.1	-171.2	-179.6	76	179.8	7.2	111.5	K64 E65 M66 K70	K64-R68 WeakPolarHBondContact O-CB 3.19Å; K64-R68 PolarHBondContact O-N 3.36Å; E65-R68 WeakPolarHBondContact O-CA 3.35Å; E65-R68 WeakPolarHBondContact O-CB 3.28Å; E65-R68 PolarHBondContact O-N 3.17Å; E65-R68 IonicContact OE1-CZ 3.17Å; E65-R68 IonicContact OE1-NE 3.1Å; E65-R68 PolarHBondContact OE1-NE 3.38Å; E65-R68 VanDerWaalsContact OE1-NE 3.1Å; E65-R68 IonicContact OE1-NH2 2.67Å; E65-R68 PolarHBondContact OE1-NH2 3.21Å; E65-R68 IonicContact OE2-CZ 2.72Å; E65-R68 IonicContact OE2-NE 2.96Å; E65-R68 PolarHBondContact OE2-NE 3.13Å; E65-R68 IonicContact OE2-NH1 3.25Å; E65-R68 PolarHBondContact OE2-NH1 3.01Å; E65-R68 IonicContact OE2-NH2 2.81Å; E65-R68 PolarHBondContact OE2-NH2 2.66Å; M66-R68 PolarHBondContact O-N 3.3Å; R68-K70 PolarHBondContact O-N 3Å
69	Q	90.9	Very high	89.2	Confident	83 Å²	83	42.1 Å²	42.1	39%	0.388	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2	174.4	-63.5	-178	29.5	0	0	113.4	E65 M66 K67 L71	E65-Q69 WeakPolarHBondContact O-CG 3.39Å; E65-Q69 PolarHBondContact O-N 2.89Å; E65-Q69 PolarHBondContact OE1-NE2 3.45Å; M66-Q69 CarbonylContact O-C 3.46Å; M66-Q69 PolarHBondContact O-N 3.26Å; K67-Q69 VanDerWaalsContact C-N 3.25Å; K67-Q69 PolarHBondContact O-N 3.12Å; Q69-L71 HydrophobicContact CB-CD1 4.13Å; Q69-L71 HydrophobicContact CB-CG 4.06Å; Q69-L71 PolarHBondContact O-N 3.36Å
70	K	86.2	Confident	88.4	Confident	194 Å²	194	43.7 Å²	43.7	84%	0.843	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	27.1	-176.1	-53.2	-179.3	179.3	179.8	0	113.4	M66 K67 R68	M66-K70 PolarHBondContact O-N 3.31Å; K67-K70 WeakPolarHBondContact O-CA 3.44Å; K67-K70 PolarHBondContact O-N 2.86Å; R68-K70 PolarHBondContact O-N 3Å
71	L	89.2	Confident	87.1	Confident	14 Å²	14	50.4 Å²	50.4	7%	0.073	23%	0.23	C	C	.	.			trans	-81.6	143.6	170.1	-61.4	171.7	0	0	0	108.9	L41 N43 M66 Q69 I73	L41-L71 HydrophobicContact CB-CD1 3.76Å; N43-L71 WeakPolarHBondContact OD1-CD2 3.47Å; M66-L71 HydrophobicContact CG-CB 3.59Å; M66-L71 HydrophobicContact CG-CD1 4.41Å; M66-L71 WeakPolarHBondContact O-CB 3.49Å; M66-L71 PolarHBondContact O-N 3.44Å; Q69-L71 HydrophobicContact CB-CD1 4.13Å; Q69-L71 HydrophobicContact CB-CG 4.06Å; Q69-L71 PolarHBondContact O-N 3.36Å; L71-I73 HydrophobicContact CB-CD1 4.21Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; L71-I73 HydrophobicContact CD1-CD1 4.19Å
72	D	84.9	Confident	85.3	Confident	71 Å²	71	53.5 Å²	53.5	38%	0.38	25%	0.252	S	S	.	.			trans	-124.1	54.4	179.9	-164.5	19.5	0	0	0	111.7	P74 R154	D72-P74 WeakPolarHBondContact O-CD 3.33Å; D72-R154 WeakPolarHBondContact OD1-CD 3.31Å; D72-R154 WeakPolarHBondContact OD1-CG 3.43Å; D72-R154 WeakPolarHBondContact OD2-CA 3.36Å; D72-R154 WeakPolarHBondContact OD2-CG 3.33Å
73	I	91	Very high	83.5	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.026	27%	0.265	C	S	.	.			trans	-81.8	123.8	-176.9	-52.8	161.4	0	0	0	107.9	L41 S42 I45 M48 M66 L71 F75	L41-I73 HydrophobicContact CD2-CD1 4.42Å; S42-I73 WeakPolarHBondContact O-CD1 3.34Å; I45-I73 HydrophobicContact CB-CD1 4.11Å; I45-I73 HydrophobicContact CB-CG2 4.36Å; I45-I73 HydrophobicContact CG2-CD1 4.48Å; I45-I73 HydrophobicContact CG2-CG2 3.83Å; I45-I73 WeakPolarHBondContact O-CG2 3.4Å; M48-I73 HydrophobicContact CE-CB 4.21Å; M48-I73 HydrophobicContact CE-CG2 4.39Å; M48-I73 HydrophobicContact CG-CB 4.49Å; M48-I73 HydrophobicContact CG-CG2 3.74Å; M48-I73 HydrophobicContact SD-CD1 4.25Å; M48-I73 HydrophobicContact SD-CG2 4.41Å; M66-I73 HydrophobicContact CG-CD1 4.22Å; M66-I73 HydrophobicContact SD-CB 3.75Å; M66-I73 HydrophobicContact SD-CD1 4.3Å; M66-I73 HydrophobicContact SD-CG1 4.25Å; L71-I73 HydrophobicContact CB-CD1 4.21Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; L71-I73 HydrophobicContact CD1-CD1 4.19Å; I73-F75 WeakPolarHBondContact O-CD1 3.28Å; I73-F75 PolarHBondContact O-N 3.13Å
74	P	89.6	Confident	81.6	Confident	10 Å²	10	64.1 Å²	64.1	7%	0.065	30%	0.302	C	S	.	.			trans	-53.7	138.6	170.2	-25.3	33.7	0	0	0	111.1	D46 I47 M48 D72 D96 L115 I155	D46-P74 WeakPolarHBondContact O-CD 3.44Å; I47-P74 CarbonylContact C-O 3.59Å; I47-P74 VanDerWaalsContact CA-O 3.31Å; I47-P74 WeakPolarHBondContact CA-O 3.44Å; I47-P74 HydrophobicContact CG1-CB 4.34Å; I47-P74 WeakPolarHBondContact CG1-O 3.32Å; M48-P74 PolarHBondContact N-O 3.04Å; D72-P74 WeakPolarHBondContact O-CD 3.33Å; P74-D96 WeakPolarHBondContact CA-OD2 3.49Å; P74-L115 HydrophobicContact CB-CD2 4.18Å; P74-I155 HydrophobicContact CG-CD1 3.58Å
75	F	90.9	Very high	79.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.7	-178.8	66	-87.3	0	0	0	113.7	M48 L50 V63 M66 I73 Y77 A95 D96 D97	M48-F75 HydrophobicContact CB-CB 4.02Å; M48-F75 HydrophobicContact CE-CB 3.9Å; M48-F75 HydrophobicContact CE-CG 4.48Å; M48-F75 WeakPolarHBondContact O-CA 3.21Å; L50-F75 HydrophobicContact CD1-CB 4.35Å; L50-F75 HydrophobicContact CD1-CD2 4.43Å; V63-F75 HydrophobicContact CB-CZ 4.42Å; V63-F75 HydrophobicContact CG1-CE1 3.83Å; V63-F75 HydrophobicContact CG1-CE2 4.14Å; V63-F75 HydrophobicContact CG1-CZ 3.57Å; V63-F75 HydrophobicContact CG2-CD1 4.28Å; V63-F75 HydrophobicContact CG2-CD2 3.78Å; V63-F75 HydrophobicContact CG2-CE1 4.21Å; V63-F75 HydrophobicContact CG2-CE2 3.7Å; V63-F75 HydrophobicContact CG2-CG 4.09Å; V63-F75 HydrophobicContact CG2-CZ 3.94Å; M66-F75 HydrophobicContact CE-CD1 4.17Å; M66-F75 HydrophobicContact CE-CE1 4.14Å; I73-F75 WeakPolarHBondContact O-CD1 3.28Å; I73-F75 PolarHBondContact O-N 3.13Å; F75-Y77 HydrophobicContact CD2-CD2 4.46Å; F75-Y77 HydrophobicContact CD2-CE1 4.39Å; F75-Y77 HydrophobicContact CD2-CE2 4.2Å; F75-Y77 HydrophobicContact CE2-CD2 4.09Å; F75-Y77 HydrophobicContact CE2-CE1 4.37Å; F75-Y77 AromaticContact CE2-CE2 3.54Å; F75-Y77 HydrophobicContact CE2-CE2 3.54Å; F75-Y77 AromaticContact CE2-CZ 3.68Å; F75-A95 HydrophobicContact CD2-CB 3.99Å; F75-A95 HydrophobicContact CE2-CB 3.5Å; F75-A95 HydrophobicContact CZ-CB 4.23Å; F75-D96 PolarHBondContact N-OD2 2.91Å; F75-D96 VanDerWaalsContact N-OD2 3.1Å; F75-D96 PolarHBondContact O-N 3.22Å; F75-D97 PolarHBondContact O-N 3.11Å
76	I	90.4	Very high	78	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.5	175.8	-55.4	-169.4	0	0	0	108.5	I47 M48 V49 L50 D97 V99 L108 I112 L115	I47-I76 HydrophobicContact CD1-CD1 4.38Å; I47-I76 HydrophobicContact CD1-CG1 4.43Å; M48-I76 PolarHBondContact O-N 3.35Å; V49-I76 WeakPolarHBondContact CA-O 3.48Å; L50-I76 PolarHBondContact N-O 2.97Å; I76-D97 WeakPolarHBondContact CA-O 3.33Å; I76-D97 HydrophobicContact CB-CB 4.22Å; I76-D97 HydrophobicContact CD1-CB 3.68Å; I76-D97 HydrophobicContact CG1-CB 3.6Å; I76-D97 HydrophobicContact CG2-CB 3.97Å; I76-V99 HydrophobicContact CG2-CG2 3.91Å; I76-L108 HydrophobicContact CG2-CD1 4.29Å; I76-I112 HydrophobicContact CD1-CD1 4.26Å; I76-I112 HydrophobicContact CD1-CG1 3.48Å; I76-I112 VanDerWaalsContact CD1-CG1 3.48Å; I76-L115 HydrophobicContact CD1-CD1 4.35Å; I76-L115 HydrophobicContact CG1-CD1 4.37Å
77	Y	89.9	Confident	76.2	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.6	170.5	-78	-52	0	0	0	112	L50 I52 Y60 V63 F75 A90 A95 D97 Y98 V99	L50-Y77 HydrophobicContact CB-CD1 3.94Å; L50-Y77 HydrophobicContact CB-CE1 4.15Å; L50-Y77 HydrophobicContact CD1-CE1 4.1Å; L50-Y77 CarbonylContact O-C 3.49Å; L50-Y77 WeakPolarHBondContact O-CA 3.41Å; I52-Y77 HydrophobicContact CD1-CD1 4.41Å; I52-Y77 HydrophobicContact CD1-CG 4.06Å; I52-Y77 HydrophobicContact CG1-CD1 3.6Å; I52-Y77 HydrophobicContact CG1-CD2 4.48Å; I52-Y77 HydrophobicContact CG1-CE1 4.28Å; I52-Y77 HydrophobicContact CG1-CG 3.74Å; Y60-Y77 HydrophobicContact CD1-CE1 4.2Å; Y60-Y77 HydrophobicContact CD1-CE2 4.12Å; Y60-Y77 AromaticContact CD1-CZ 3.68Å; Y60-Y77 WeakPolarHBondContact CD1-OH 3.49Å; Y60-Y77 HydrophobicContact CE1-CE1 4.48Å; Y60-Y77 HydrophobicContact CE1-CE2 4.03Å; V63-Y77 WeakPolarHBondContact CB-OH 3.05Å; V63-Y77 HydrophobicContact CG2-CE1 4.07Å; V63-Y77 WeakPolarHBondContact CG2-OH 3.25Å; F75-Y77 HydrophobicContact CD2-CD2 4.46Å; F75-Y77 HydrophobicContact CD2-CE1 4.39Å; F75-Y77 HydrophobicContact CD2-CE2 4.2Å; F75-Y77 HydrophobicContact CE2-CD2 4.09Å; F75-Y77 HydrophobicContact CE2-CE1 4.37Å; F75-Y77 AromaticContact CE2-CE2 3.54Å; F75-Y77 HydrophobicContact CE2-CE2 3.54Å; F75-Y77 AromaticContact CE2-CZ 3.68Å; Y77-A90 HydrophobicContact CD2-CB 3.71Å; Y77-A90 HydrophobicContact CE2-CB 4.05Å; Y77-A95 HydrophobicContact CD2-CB 3.58Å; Y77-A95 HydrophobicContact CE2-CB 3.99Å; Y77-A95 HydrophobicContact CG-CB 4.47Å; Y77-D97 PolarHBondContact N-O 2.96Å; Y77-D97 VanDerWaalsContact N-O 3.15Å; Y77-Y98 CarbonylContact O-C 3.44Å; Y77-Y98 WeakPolarHBondContact O-CA 3.29Å; Y77-V99 PolarHBondContact O-N 3.13Å
78	L	88.6	Confident	74.7	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.7	161.6	-51.1	-179	0	0	0	107.9	D8 V49 L50 I52 V99 F103 L108	D8-L78 WeakPolarHBondContact OD2-CD1 3.21Å; V49-L78 HydrophobicContact CG1-CD1 3.63Å; V49-L78 HydrophobicContact CG1-CD2 3.7Å; V49-L78 HydrophobicContact CG1-CG 3.6Å; L50-L78 PolarHBondContact O-N 2.75Å; I52-L78 WeakPolarHBondContact CG1-O 3.04Å; I52-L78 PolarHBondContact N-O 2.97Å; I52-L78 VanDerWaalsContact N-O 3.17Å; L78-V99 WeakPolarHBondContact CA-O 3.3Å; L78-V99 HydrophobicContact CD2-CB 4Å; L78-F103 HydrophobicContact CB-CE1 4.39Å; L78-F103 HydrophobicContact CD1-CE1 3.89Å; L78-F103 HydrophobicContact CD1-CZ 3.75Å; L78-F103 HydrophobicContact CD2-CD1 4.36Å; L78-F103 HydrophobicContact CD2-CE1 3.63Å; L78-F103 HydrophobicContact CD2-CZ 3.76Å; L78-F103 HydrophobicContact CG-CE1 4.17Å; L78-F103 HydrophobicContact CG-CZ 4.34Å; L78-L108 HydrophobicContact CD2-CD1 4.31Å; L78-L108 HydrophobicContact CD2-CD2 4.38Å
79	T	78.1	Confident	73.3	Confident	4 Å²	4	63.7 Å²	63.7	3%	0.025	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.5	-175.7	-179.4	0	0	0	0	111.2	Y98 V99 K100 K101	T79-Y98 HydrophobicContact CG2-CD2 4.32Å; T79-V99 PolarHBondContact N-O 3.29Å; T79-K100 HydrophobicContact CG2-CG 3.92Å; T79-K100 CarbonylContact O-C 3.57Å; T79-K100 VanDerWaalsContact O-CA 3.25Å; T79-K100 WeakPolarHBondContact O-CA 3.47Å; T79-K101 PolarHBondContact O-N 3.45Å
80	A	74	Confident	71.6	Confident	34 Å²	34	60 Å²	60	28%	0.281	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	149.3	169.1	0	0	0	0	0	110.9	T82	A80-T82 PolarHBondContact O-N 3.22Å
81	K	58.9	Low	70.3	Confident	156 Å²	156	50.9 Å²	50.9	68%	0.678	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.1	177.4	-93.7	-174.1	177.2	-177.1	0	114.5	K100	K81-K100 HydrophobicContact CG-CB 4.32Å; K81-K100 HydrophobicContact CG-CD 4.32Å
82	T	53.1	Low	68.9	Low	128 Å²	128	53.4 Å²	53.4	79%	0.785	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.9	-162.4	41.3	0	0	0	0	115.4	A80	A80-T82 PolarHBondContact O-N 3.22Å
83	Q	53.9	Low	68	Low	60 Å²	60	51.5 Å²	51.5	28%	0.28	26%	0.26	S	S	.	.			trans	-120.4	77.6	-172.7	-68.4	176	-47.9	0	0	111.7	H85 D86 T87	Q83-H85 PolarHBondContact O-N 3.27Å; Q83-H85 VanDerWaalsContact O-N 3.16Å; Q83-D86 HydrophobicContact CB-CB 3.75Å; Q83-D86 WeakPolarHBondContact CB-OD2 3.42Å; Q83-D86 WeakPolarHBondContact CG-OD2 3.43Å; Q83-D86 PolarHBondContact NE2-OD2 2.98Å; Q83-D86 VanDerWaalsContact NE2-OD2 3.14Å; Q83-D86 PolarHBondContact O-N 3.1Å; Q83-D86 PolarHBondContact OE1-OD2 3.4Å; Q83-T87 PolarHBondContact O-N 3.44Å; Q83-T87 VanDerWaalsContact O-N 3.09Å; Q83-T87 PolarHBondContact O-OG1 2.78Å
84	E	51.6	Low	66.9	Low	164 Å²	164	51.2 Å²	51.2	77%	0.766	26%	0.258	S	S	*	.	H	α-helix	trans	-48.1	-41.3	170.6	-92.8	180	166.1	0	0	111.7	D86 T87 I88	E84-D86 PolarHBondContact O-N 2.91Å; E84-T87 WeakPolarHBondContact CA-OG1 3.28Å; E84-T87 PolarHBondContact O-N 3.28Å; E84-T87 PolarHBondContact O-OG1 2.74Å; E84-I88 PolarHBondContact O-N 2.96Å; E84-I88 VanDerWaalsContact O-N 3.13Å
85	H	52	Low	66.3	Low	161 Å²	161	51 Å²	51	75%	0.745	26%	0.257	S	S	*	.	H	α-helix	trans	-61.6	-39.1	177.2	-81.3	-75.8	0	0	0	113.7	Q83 I88 Y89	Q83-H85 PolarHBondContact O-N 3.27Å; Q83-H85 VanDerWaalsContact O-N 3.16Å; H85-I88 PolarHBondContact O-N 3.15Å; H85-Y89 PolarHBondContact O-N 3.17Å
86	D	55.1	Low	65.8	Low	35 Å²	35	51.1 Å²	51.1	19%	0.187	26%	0.258	C	S	.	.	H	α-helix	trans	-72.6	-37.6	177.9	-72.4	-53.2	0	0	0	111	Y60 Q83 E84 I88 Y89 A90	Y60-D86 PolarHBondContact OH-O 2.88Å; Q83-D86 HydrophobicContact CB-CB 3.75Å; Q83-D86 WeakPolarHBondContact CB-OD2 3.42Å; Q83-D86 WeakPolarHBondContact CG-OD2 3.43Å; Q83-D86 PolarHBondContact NE2-OD2 2.98Å; Q83-D86 VanDerWaalsContact NE2-OD2 3.14Å; Q83-D86 PolarHBondContact O-N 3.1Å; Q83-D86 PolarHBondContact OE1-OD2 3.4Å; E84-D86 PolarHBondContact O-N 2.91Å; D86-I88 VanDerWaalsContact C-N 3.3Å; D86-I88 PolarHBondContact O-N 3.25Å; D86-Y89 PolarHBondContact O-N 2.76Å; D86-Y89 VanDerWaalsContact O-N 3.13Å; D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 2.96Å
87	T	55.5	Low	65.2	Low	14 Å²	14	51.7 Å²	51.7	9%	0.086	26%	0.261	C	S	.	.	H	α-helix	trans	-54.9	-47.1	171.3	-1.7	0	0	0	0	111.3	Q83 E84 Y89 A90 L91	Q83-T87 PolarHBondContact O-N 3.44Å; Q83-T87 VanDerWaalsContact O-N 3.09Å; Q83-T87 PolarHBondContact O-OG1 2.78Å; E84-T87 WeakPolarHBondContact CA-OG1 3.28Å; E84-T87 PolarHBondContact O-N 3.28Å; E84-T87 PolarHBondContact O-OG1 2.74Å; T87-Y89 VanDerWaalsContact C-N 3.34Å; T87-Y89 PolarHBondContact O-N 3.16Å; T87-A90 PolarHBondContact O-N 2.82Å; T87-L91 WeakPolarHBondContact O-CB 3.3Å; T87-L91 WeakPolarHBondContact O-CD1 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.39Å; T87-L91 PolarHBondContact O-N 3.45Å
88	I	55.5	Low	64.8	Low	84 Å²	84	52.9 Å²	52.9	43%	0.431	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-44.8	178.2	-64.2	170.8	0	0	0	111	E84 H85 D86 L91 T92	E84-I88 PolarHBondContact O-N 2.96Å; E84-I88 VanDerWaalsContact O-N 3.13Å; H85-I88 PolarHBondContact O-N 3.15Å; D86-I88 VanDerWaalsContact C-N 3.3Å; D86-I88 PolarHBondContact O-N 3.25Å; I88-L91 WeakPolarHBondContact O-CB 3.25Å; I88-L91 PolarHBondContact O-N 3.49Å; I88-T92 WeakPolarHBondContact O-CG2 3.34Å; I88-T92 PolarHBondContact O-N 2.94Å
89	Y	61	Low	64.6	Low	121 Å²	121	52.9 Å²	52.9	48%	0.475	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-45.1	179.7	-166.7	-99	0	0	0	112.3	Y60 H85 D86 T87 L91 T92 L93	Y60-Y89 AromaticContact CD1-CD1 3.81Å; Y60-Y89 HydrophobicContact CD1-CD1 3.81Å; Y60-Y89 AromaticContact CD1-CE1 4Å; Y60-Y89 HydrophobicContact CD1-CE1 4Å; Y60-Y89 AromaticContact CD2-CD1 3.55Å; Y60-Y89 HydrophobicContact CD2-CD1 3.55Å; Y60-Y89 AromaticContact CD2-CE1 3.62Å; Y60-Y89 HydrophobicContact CD2-CE1 3.62Å; Y60-Y89 AromaticContact CE1-CD1 3.73Å; Y60-Y89 HydrophobicContact CE1-CD1 3.73Å; Y60-Y89 HydrophobicContact CE1-CE1 4.39Å; Y60-Y89 AromaticContact CE2-CD1 3.46Å; Y60-Y89 HydrophobicContact CE2-CD1 3.46Å; Y60-Y89 VanDerWaalsContact CE2-CD1 3.46Å; Y60-Y89 HydrophobicContact CE2-CE1 4.04Å; Y60-Y89 HydrophobicContact CE2-CG 4.41Å; Y60-Y89 AromaticContact CG-CD1 3.69Å; Y60-Y89 HydrophobicContact CG-CD1 3.69Å; Y60-Y89 AromaticContact CG-CE1 3.56Å; Y60-Y89 HydrophobicContact CG-CE1 3.56Å; Y60-Y89 AromaticContact CZ-CD1 3.53Å; H85-Y89 PolarHBondContact O-N 3.17Å; D86-Y89 PolarHBondContact O-N 2.76Å; D86-Y89 VanDerWaalsContact O-N 3.13Å; T87-Y89 VanDerWaalsContact C-N 3.34Å; T87-Y89 PolarHBondContact O-N 3.16Å; Y89-L91 PolarHBondContact O-N 2.81Å; Y89-T92 WeakPolarHBondContact CA-OG1 3.42Å; Y89-T92 WeakPolarHBondContact O-CA 3.17Å; Y89-T92 PolarHBondContact O-N 3.14Å; Y89-T92 PolarHBondContact O-OG1 2.94Å; Y89-L93 HydrophobicContact CD1-CD1 3.87Å; Y89-L93 HydrophobicContact CD1-CG 4.43Å; Y89-L93 HydrophobicContact CE1-CD1 3.46Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.46Å; Y89-L93 HydrophobicContact CE1-CG 4.15Å; Y89-L93 PolarHBondContact O-N 3.24Å
90	A	55.3	Low	64.9	Low	4 Å²	4	56 Å²	56	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-53.9	-42.7	172.4	0	0	0	0	0	112.3	I52 Y60 Y77 D86 T87 L93 G94	I52-A90 HydrophobicContact CD1-CB 3.91Å; Y60-A90 HydrophobicContact CE1-CB 3.8Å; Y60-A90 PolarHBondContact OH-N 3.06Å; Y77-A90 HydrophobicContact CD2-CB 3.71Å; Y77-A90 HydrophobicContact CE2-CB 4.05Å; D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 2.96Å; T87-A90 PolarHBondContact O-N 2.82Å; A90-L93 PolarHBondContact O-N 2.92Å; A90-L93 VanDerWaalsContact O-N 3.16Å; A90-G94 PolarHBondContact O-N 2.9Å
91	L	58.4	Low	65.4	Low	4 Å²	4	55.7 Å²	55.7	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-42.3	176.5	-66.1	159	0	0	0	110.9	T87 I88 Y89 L93 G94 Y98 D189 N191 V195	T87-L91 WeakPolarHBondContact O-CB 3.3Å; T87-L91 WeakPolarHBondContact O-CD1 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.39Å; T87-L91 PolarHBondContact O-N 3.45Å; I88-L91 WeakPolarHBondContact O-CB 3.25Å; I88-L91 PolarHBondContact O-N 3.49Å; Y89-L91 PolarHBondContact O-N 2.81Å; L91-L93 PolarHBondContact O-N 3.47Å; L91-G94 WeakPolarHBondContact O-CA 3.46Å; L91-G94 PolarHBondContact O-N 2.77Å; L91-Y98 HydrophobicContact CD2-CD1 4.11Å; L91-Y98 HydrophobicContact CD2-CE1 3.74Å; L91-D189 HydrophobicContact CD1-CB 3.88Å; L91-D189 VanDerWaalsContact CD1-OD1 3.31Å; L91-D189 WeakPolarHBondContact CD1-OD1 3.35Å; L91-D189 WeakPolarHBondContact CD1-OD2 3.28Å; L91-D189 HydrophobicContact CD2-CB 4.45Å; L91-N191 HydrophobicContact CB-CB 4.19Å; L91-N191 HydrophobicContact CD1-CB 3.87Å; L91-V195 WeakPolarHBondContact O-CB 3.45Å; L91-V195 VanDerWaalsContact O-CG1 3.29Å; L91-V195 WeakPolarHBondContact O-CG1 3.41Å; L91-V195 WeakPolarHBondContact O-CG2 3.46Å
92	T	59.6	Low	66.7	Low	66 Å²	66	54 Å²	54	41%	0.405	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-23.4	174.4	62.9	0	0	0	0	113.9	I88 Y89 G94 V195 R199	I88-T92 WeakPolarHBondContact O-CG2 3.34Å; I88-T92 PolarHBondContact O-N 2.94Å; Y89-T92 WeakPolarHBondContact CA-OG1 3.42Å; Y89-T92 WeakPolarHBondContact O-CA 3.17Å; Y89-T92 PolarHBondContact O-N 3.14Å; Y89-T92 PolarHBondContact O-OG1 2.94Å; T92-G94 VanDerWaalsContact C-N 3.3Å; T92-V195 HydrophobicContact CG2-CG2 4.21Å; T92-V195 VanDerWaalsContact O-CG1 3.27Å; T92-V195 WeakPolarHBondContact O-CG1 3.27Å; T92-R199 PolarHBondContact O-NH2 3.32Å
93	L	66	Low	68.3	Low	31 Å²	31	49.6 Å²	49.6	16%	0.162	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.8	174.4	-67	177.3	0	0	0	113.7	Y60 K67 Y89 A90 L91 R199	Y60-L93 HydrophobicContact CD1-CD1 3.31Å; Y60-L93 HydrophobicContact CE1-CD1 4.12Å; Y60-L93 HydrophobicContact CG-CD1 3.75Å; K67-L93 PolarHBondContact NZ-O 2.87Å; Y89-L93 HydrophobicContact CD1-CD1 3.87Å; Y89-L93 HydrophobicContact CD1-CG 4.43Å; Y89-L93 HydrophobicContact CE1-CD1 3.46Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.46Å; Y89-L93 HydrophobicContact CE1-CG 4.15Å; Y89-L93 PolarHBondContact O-N 3.24Å; A90-L93 PolarHBondContact O-N 2.92Å; A90-L93 VanDerWaalsContact O-N 3.16Å; L91-L93 PolarHBondContact O-N 3.47Å; L93-R199 PolarHBondContact O-NH1 2.94Å; L93-R199 PolarHBondContact O-NH2 3.23Å
94	G	68.4	Low	70	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	49.6	171.1	0	0	0	0	0	112.3	A90 L91 T92 R154	A90-G94 PolarHBondContact O-N 2.9Å; L91-G94 WeakPolarHBondContact O-CA 3.46Å; L91-G94 PolarHBondContact O-N 2.77Å; T92-G94 VanDerWaalsContact C-N 3.3Å; G94-R154 PolarHBondContact O-NH1 3.38Å; G94-R154 PolarHBondContact O-NH2 2.97Å
95	A	76.5	Confident	71.8	Confident	5 Å²	5	42.7 Å²	42.7	4%	0.041	22%	0.222	C	C	.	.			trans	-56.2	148.8	169.2	0	0	0	0	0	111.5	F75 Y77 D97	F75-A95 HydrophobicContact CD2-CB 3.99Å; F75-A95 HydrophobicContact CE2-CB 3.5Å; F75-A95 HydrophobicContact CZ-CB 4.23Å; Y77-A95 HydrophobicContact CD2-CB 3.58Å; Y77-A95 HydrophobicContact CE2-CB 3.99Å; Y77-A95 HydrophobicContact CG-CB 4.47Å; A95-D97 VanDerWaalsContact CB-O 3.3Å; A95-D97 WeakPolarHBondContact CB-O 3.42Å
96	D	79	Confident	73.6	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.218	C	C	.	.	S	Bend	trans	-77.7	-31.1	176.1	-62.5	-85.8	0	0	0	111.2	P74 F75 L115 R154 K156	P74-D96 WeakPolarHBondContact CA-OD2 3.49Å; F75-D96 PolarHBondContact N-OD2 2.91Å; F75-D96 VanDerWaalsContact N-OD2 3.1Å; F75-D96 PolarHBondContact O-N 3.22Å; D96-L115 HydrophobicContact CB-CD1 3.76Å; D96-R154 IonicContact OD2-NH1 2.96Å; D96-R154 PolarHBondContact OD2-NH1 2.83Å; D96-K156 HydrophobicContact CB-CG 4.02Å; D96-K156 WeakPolarHBondContact OD1-CG 3.17Å
97	D	79.2	Confident	75.2	Confident	12 Å²	12	45.1 Å²	45.1	6%	0.064	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	169.7	166.6	-149.1	-41.8	0	0	0	111.9	F75 I76 Y77 A95 R111 L115 Y186	F75-D97 PolarHBondContact O-N 3.11Å; I76-D97 WeakPolarHBondContact CA-O 3.33Å; I76-D97 HydrophobicContact CB-CB 4.22Å; I76-D97 HydrophobicContact CD1-CB 3.68Å; I76-D97 HydrophobicContact CG1-CB 3.6Å; I76-D97 HydrophobicContact CG2-CB 3.97Å; Y77-D97 PolarHBondContact N-O 2.96Å; Y77-D97 VanDerWaalsContact N-O 3.15Å; A95-D97 VanDerWaalsContact CB-O 3.3Å; A95-D97 WeakPolarHBondContact CB-O 3.42Å; D97-R111 IonicContact OD1-NH1 2.63Å; D97-R111 IonicContact OD2-NH1 2.74Å; D97-L115 HydrophobicContact CB-CD1 4.4Å; D97-Y186 VanDerWaalsContact C-OH 3.22Å; D97-Y186 WeakPolarHBondContact CA-OH 3.11Å; D97-Y186 WeakPolarHBondContact OD1-CE2 3.46Å; D97-Y186 PolarHBondContact OD1-OH 3.16Å; D97-Y186 VanDerWaalsContact OD1-OH 3.05Å
98	Y	81.8	Confident	76.9	Confident	24 Å²	24	44.4 Å²	44.4	9%	0.094	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.3	162.8	64.4	-97.2	0	0	0	111.4	Y77 T79 L91 Y186 D189	Y77-Y98 CarbonylContact O-C 3.44Å; Y77-Y98 WeakPolarHBondContact O-CA 3.29Å; T79-Y98 HydrophobicContact CG2-CD2 4.32Å; L91-Y98 HydrophobicContact CD2-CD1 4.11Å; L91-Y98 HydrophobicContact CD2-CE1 3.74Å; Y98-Y186 AromaticContact CD1-CE1 3.88Å; Y98-Y186 HydrophobicContact CD1-CE1 3.88Å; Y98-Y186 AromaticContact CD1-CZ 4Å; Y98-Y186 VanDerWaalsContact CD1-OH 3.3Å; Y98-Y186 WeakPolarHBondContact CD1-OH 3.33Å; Y98-Y186 HydrophobicContact CE1-CD1 4.12Å; Y98-Y186 AromaticContact CE1-CE1 3.27Å; Y98-Y186 HydrophobicContact CE1-CE1 3.27Å; Y98-Y186 AromaticContact CE1-CZ 3.85Å; Y98-Y186 AromaticContact CZ-CE1 3.81Å; Y98-Y186 PolarHBondContact N-OH 3.39Å; Y98-D189 VanDerWaalsContact OH-CB 3.27Å; Y98-D189 WeakPolarHBondContact OH-CB 3.48Å
99	V	84.4	Confident	78.6	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.1	-177.6	-179.6	0	0	0	0	109.9	I76 Y77 L78 T79 F103 L108 R111	I76-V99 HydrophobicContact CG2-CG2 3.91Å; Y77-V99 PolarHBondContact O-N 3.13Å; L78-V99 WeakPolarHBondContact CA-O 3.3Å; L78-V99 HydrophobicContact CD2-CB 4Å; T79-V99 PolarHBondContact N-O 3.29Å; V99-F103 HydrophobicContact CG1-CB 3.46Å; V99-F103 VanDerWaalsContact CG1-CB 3.46Å; V99-F103 HydrophobicContact CG1-CD1 3.7Å; V99-F103 HydrophobicContact CG1-CD2 4.2Å; V99-F103 HydrophobicContact CG1-CG 3.52Å; V99-L108 HydrophobicContact CG2-CD1 3.88Å; V99-R111 VanDerWaalsContact CG2-CD 3.46Å
100	K	82.7	Confident	79.9	Confident	69 Å²	69	39.3 Å²	39.3	30%	0.3	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	131	-180	-68.3	-177.9	176.5	-176.8	0	111	T79 K81 P102 F103 E188	T79-K100 HydrophobicContact CG2-CG 3.92Å; T79-K100 CarbonylContact O-C 3.57Å; T79-K100 VanDerWaalsContact O-CA 3.25Å; T79-K100 WeakPolarHBondContact O-CA 3.47Å; K81-K100 HydrophobicContact CG-CB 4.32Å; K81-K100 HydrophobicContact CG-CD 4.32Å; K100-P102 CarbonylContact O-C 3.57Å; K100-F103 WeakPolarHBondContact O-CB 3.48Å; K100-E188 IonicContact NZ-OE2 3.47Å; K100-E188 PolarHBondContact NZ-OE2 3.1Å
101	K	84.5	Confident	81.3	Confident	28 Å²	28	40.4 Å²	40.4	12%	0.122	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.1	167.6	-71.8	-177.9	176.1	-171.2	0	110.6	D8 E10 I13 D51 T79 F103	D8-K101 VanDerWaalsContact CG-NZ 3.31Å; D8-K101 IonicContact OD1-NZ 2.62Å; D8-K101 PolarHBondContact OD1-NZ 3.48Å; D8-K101 VanDerWaalsContact OD1-NZ 3.15Å; D8-K101 WeakPolarHBondContact OD2-CE 3.41Å; D8-K101 IonicContact OD2-NZ 2.65Å; D8-K101 PolarHBondContact OD2-NZ 3.09Å; E10-K101 IonicContact OE1-NZ 2.73Å; E10-K101 PolarHBondContact OE1-NZ 3.22Å; I13-K101 HydrophobicContact CD1-CD 4.17Å; D51-K101 IonicContact OD2-NZ 2.95Å; D51-K101 PolarHBondContact OD2-NZ 2.63Å; T79-K101 PolarHBondContact O-N 3.45Å; K101-F103 HydrophobicContact CG-CD1 3.89Å; K101-F103 HydrophobicContact CG-CE1 3.68Å
102	P	86.2	Confident	82.8	Confident	120 Å²	120	40.2 Å²	40.2	78%	0.779	21%	0.205	S	C	*	.	S	Bend	cis	-75.7	143.3	-8.6	32.5	-34.3	0	0	0	111.4	K100	K100-P102 CarbonylContact O-C 3.57Å
103	F	87	Confident	84.1	Confident	36 Å²	36	39.1 Å²	39.1	16%	0.158	20%	0.196	C	C	.	.			trans	-126	164.7	176.5	56.7	-93.1	0	0	0	111.1	I13 L78 V99 K100 K101 L108	I13-F103 HydrophobicContact CG2-CZ 4.19Å; L78-F103 HydrophobicContact CB-CE1 4.39Å; L78-F103 HydrophobicContact CD1-CE1 3.89Å; L78-F103 HydrophobicContact CD1-CZ 3.75Å; L78-F103 HydrophobicContact CD2-CD1 4.36Å; L78-F103 HydrophobicContact CD2-CE1 3.63Å; L78-F103 HydrophobicContact CD2-CZ 3.76Å; L78-F103 HydrophobicContact CG-CE1 4.17Å; L78-F103 HydrophobicContact CG-CZ 4.34Å; V99-F103 HydrophobicContact CG1-CB 3.46Å; V99-F103 VanDerWaalsContact CG1-CB 3.46Å; V99-F103 HydrophobicContact CG1-CD1 3.7Å; V99-F103 HydrophobicContact CG1-CD2 4.2Å; V99-F103 HydrophobicContact CG1-CG 3.52Å; K100-F103 WeakPolarHBondContact O-CB 3.48Å; K101-F103 HydrophobicContact CG-CD1 3.89Å; K101-F103 HydrophobicContact CG-CE1 3.68Å; F103-L108 HydrophobicContact CD2-CB 4.22Å; F103-L108 HydrophobicContact CE2-CB 4.19Å; F103-L108 HydrophobicContact CE2-CD2 3.78Å; F103-L108 HydrophobicContact CZ-CD2 4.21Å
104	S	89.2	Confident	84.8	Confident	57 Å²	57	41.1 Å²	41.1	40%	0.399	21%	0.207	S	C	.	.			trans	-84.8	130.7	169.2	177.9	0	0	0	0	110.1	R106 E107 L108	S104-R106 PolarHBondContact O-N 2.85Å; S104-R106 VanDerWaalsContact O-N 3.11Å; S104-R106 PolarHBondContact OG-N 3.19Å; S104-E107 WeakPolarHBondContact O-CA 3.45Å; S104-E107 VanDerWaalsContact O-CB 3.26Å; S104-E107 WeakPolarHBondContact O-CB 3.3Å; S104-E107 PolarHBondContact O-N 3.49Å; S104-L108 PolarHBondContact O-N 3.48Å
105	P	90.1	Very high	85.4	Confident	21 Å²	21	41.6 Å²	41.6	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-53.3	-33.9	173.3	-27.9	35.4	0	0	0	112.7	I16 Y20 E107 L108 V109	I16-P105 HydrophobicContact CG1-CG 3.86Å; I16-P105 HydrophobicContact CG2-CG 4.08Å; Y20-P105 HydrophobicContact CD1-CB 3.99Å; Y20-P105 HydrophobicContact CD2-CB 3.83Å; Y20-P105 HydrophobicContact CD2-CG 4.43Å; Y20-P105 HydrophobicContact CE1-CB 4.33Å; Y20-P105 HydrophobicContact CE2-CB 4.17Å; Y20-P105 HydrophobicContact CE2-CG 4.42Å; Y20-P105 HydrophobicContact CG-CB 3.71Å; P105-E107 VanDerWaalsContact C-N 3.34Å; P105-E107 PolarHBondContact O-N 2.92Å; P105-L108 PolarHBondContact O-N 3.3Å; P105-V109 WeakPolarHBondContact O-CG2 3.32Å; P105-V109 PolarHBondContact O-N 3.48Å
106	R	89.7	Confident	85.7	Confident	173 Å²	173	42.3 Å²	42.3	65%	0.653	21%	0.213	S	C	*	.	H	α-helix	trans	-64.7	-35.9	174.4	-171.5	178.8	179.6	-176.1	0.3	112.9	Y20 S104 L110	Y20-R106 HydrophobicContact CD1-CB 4.48Å; Y20-R106 HydrophobicContact CE1-CB 4.22Å; S104-R106 PolarHBondContact O-N 2.85Å; S104-R106 VanDerWaalsContact O-N 3.11Å; S104-R106 PolarHBondContact OG-N 3.19Å; R106-L110 VanDerWaalsContact O-CG 3.31Å; R106-L110 WeakPolarHBondContact O-CG 3.35Å; R106-L110 PolarHBondContact O-N 3.46Å; R106-L110 VanDerWaalsContact O-N 3.09Å
107	E	88.6	Confident	85.5	Confident	74 Å²	74	45.1 Å²	45.1	35%	0.346	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-44.6	174	-174.3	-170.2	160.7	0	0	110.4	S104 P105 V109 L110 R111	S104-E107 WeakPolarHBondContact O-CA 3.45Å; S104-E107 VanDerWaalsContact O-CB 3.26Å; S104-E107 WeakPolarHBondContact O-CB 3.3Å; S104-E107 PolarHBondContact O-N 3.49Å; P105-E107 VanDerWaalsContact C-N 3.34Å; P105-E107 PolarHBondContact O-N 2.92Å; E107-V109 PolarHBondContact O-N 3.24Å; E107-L110 PolarHBondContact O-N 3.21Å; E107-L110 VanDerWaalsContact O-N 3.16Å; E107-R111 WeakPolarHBondContact O-CG 3.28Å; E107-R111 PolarHBondContact O-N 3.47Å; E107-R111 IonicContact OE1-CZ 3.15Å; E107-R111 IonicContact OE1-NE 3.61Å; E107-R111 PolarHBondContact OE1-NE 3.47Å; E107-R111 IonicContact OE1-NH2 3.98Å; E107-R111 PolarHBondContact OE1-NH2 3.25Å
108	L	91.8	Very high	85	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-43.5	178.6	-176.4	61.4	0	0	0	111.7	F21 V49 I76 L78 V99 F103 S104 P105 L110 R111 I112	F21-L108 HydrophobicContact CE2-CD2 3.9Å; F21-L108 HydrophobicContact CE2-CG 3.98Å; F21-L108 HydrophobicContact CZ-CD2 4.35Å; F21-L108 HydrophobicContact CZ-CG 3.93Å; V49-L108 HydrophobicContact CG1-CD2 4.04Å; V49-L108 HydrophobicContact CG2-CD1 4.23Å; V49-L108 HydrophobicContact CG2-CD2 4.25Å; I76-L108 HydrophobicContact CG2-CD1 4.29Å; L78-L108 HydrophobicContact CD2-CD1 4.31Å; L78-L108 HydrophobicContact CD2-CD2 4.38Å; V99-L108 HydrophobicContact CG2-CD1 3.88Å; F103-L108 HydrophobicContact CD2-CB 4.22Å; F103-L108 HydrophobicContact CE2-CB 4.19Å; F103-L108 HydrophobicContact CE2-CD2 3.78Å; F103-L108 HydrophobicContact CZ-CD2 4.21Å; S104-L108 PolarHBondContact O-N 3.48Å; P105-L108 PolarHBondContact O-N 3.3Å; L108-L110 VanDerWaalsContact C-N 3.35Å; L108-L110 PolarHBondContact O-N 2.78Å; L108-R111 PolarHBondContact O-N 3.17Å; L108-I112 WeakPolarHBondContact O-CG1 3.36Å; L108-I112 PolarHBondContact O-N 2.8Å
109	V	92	Very high	84.1	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.03	25%	0.248	C	C	.	.	H	α-helix	trans	-55.1	-48.9	171.6	165.8	0	0	0	0	111.5	F21 E24 P105 E107 R111 I112 N113	F21-V109 HydrophobicContact CD1-CG2 3.89Å; F21-V109 HydrophobicContact CD2-CG2 4.29Å; F21-V109 HydrophobicContact CE1-CB 4.17Å; F21-V109 HydrophobicContact CE1-CG2 3.65Å; F21-V109 HydrophobicContact CE2-CG2 4.07Å; F21-V109 HydrophobicContact CG-CG2 4.19Å; F21-V109 HydrophobicContact CZ-CB 4.3Å; F21-V109 HydrophobicContact CZ-CG2 3.72Å; E24-V109 HydrophobicContact CB-CG1 4.46Å; E24-V109 HydrophobicContact CG-CG1 3.68Å; E24-V109 HydrophobicContact CG-CG2 4.38Å; P105-V109 WeakPolarHBondContact O-CG2 3.32Å; P105-V109 PolarHBondContact O-N 3.48Å; E107-V109 PolarHBondContact O-N 3.24Å; V109-R111 VanDerWaalsContact C-N 3.34Å; V109-R111 PolarHBondContact O-N 2.82Å; V109-I112 PolarHBondContact O-N 3.39Å; V109-N113 VanDerWaalsContact O-CB 3.32Å; V109-N113 WeakPolarHBondContact O-CB 3.49Å; V109-N113 PolarHBondContact O-N 2.71Å
110	L	87.2	Confident	83	Confident	92 Å²	92	56.2 Å²	56.2	48%	0.482	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-40.2	-178.9	-73.9	169.9	0	0	0	112	R106 E107 L108 N113 N114	R106-L110 VanDerWaalsContact O-CG 3.31Å; R106-L110 WeakPolarHBondContact O-CG 3.35Å; R106-L110 PolarHBondContact O-N 3.46Å; R106-L110 VanDerWaalsContact O-N 3.09Å; E107-L110 PolarHBondContact O-N 3.21Å; E107-L110 VanDerWaalsContact O-N 3.16Å; L108-L110 VanDerWaalsContact C-N 3.35Å; L108-L110 PolarHBondContact O-N 2.78Å; L110-N113 PolarHBondContact O-N 3.16Å; L110-N114 VanDerWaalsContact O-CB 3.3Å; L110-N114 WeakPolarHBondContact O-CB 3.48Å; L110-N114 PolarHBondContact O-N 3.34Å; L110-N114 PolarHBondContact O-ND2 3.18Å
111	R	85.4	Confident	81.5	Confident	28 Å²	28	60.7 Å²	60.7	11%	0.106	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-47.6	176.4	-72.8	178.6	-178.7	-86.3	-1	111.8	D97 V99 E107 L108 V109 N114 L115	D97-R111 IonicContact OD1-NH1 2.63Å; D97-R111 IonicContact OD2-NH1 2.74Å; V99-R111 VanDerWaalsContact CG2-CD 3.46Å; E107-R111 WeakPolarHBondContact O-CG 3.28Å; E107-R111 PolarHBondContact O-N 3.47Å; E107-R111 IonicContact OE1-CZ 3.15Å; E107-R111 IonicContact OE1-NE 3.61Å; E107-R111 PolarHBondContact OE1-NE 3.47Å; E107-R111 IonicContact OE1-NH2 3.98Å; E107-R111 PolarHBondContact OE1-NH2 3.25Å; L108-R111 PolarHBondContact O-N 3.17Å; V109-R111 VanDerWaalsContact C-N 3.34Å; V109-R111 PolarHBondContact O-N 2.82Å; R111-N114 PolarHBondContact O-N 2.94Å; R111-L115 WeakPolarHBondContact O-CB 3.15Å; R111-L115 PolarHBondContact O-N 3.28Å
112	I	89.9	Confident	79.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-47.5	176.3	-70	-172.8	0	0	0	111.1	L4 F21 Y26 I47 V49 I76 L108 V109 N114 L115 L116	L4-I112 HydrophobicContact CD1-CD1 4.01Å; L4-I112 HydrophobicContact CD2-CD1 4.33Å; F21-I112 HydrophobicContact CE1-CB 4.13Å; F21-I112 HydrophobicContact CE1-CD1 3.7Å; F21-I112 HydrophobicContact CE1-CG1 4.35Å; F21-I112 HydrophobicContact CE1-CG2 4.29Å; F21-I112 HydrophobicContact CE2-CD1 4.31Å; F21-I112 HydrophobicContact CZ-CB 4.38Å; F21-I112 HydrophobicContact CZ-CD1 3.4Å; F21-I112 HydrophobicContact CZ-CG1 4.16Å; Y26-I112 HydrophobicContact CE1-CG2 4.03Å; I47-I112 HydrophobicContact CD1-CB 4.29Å; I47-I112 HydrophobicContact CD1-CD1 4.16Å; I47-I112 HydrophobicContact CD1-CG1 3.89Å; I47-I112 HydrophobicContact CD1-CG2 3.83Å; I47-I112 HydrophobicContact CG2-CG2 4.28Å; V49-I112 HydrophobicContact CG2-CD1 3.53Å; I76-I112 HydrophobicContact CD1-CD1 4.26Å; I76-I112 HydrophobicContact CD1-CG1 3.48Å; I76-I112 VanDerWaalsContact CD1-CG1 3.48Å; L108-I112 WeakPolarHBondContact O-CG1 3.36Å; L108-I112 PolarHBondContact O-N 2.8Å; V109-I112 PolarHBondContact O-N 3.39Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.17Å; I112-L115 PolarHBondContact O-N 3.33Å; I112-L115 VanDerWaalsContact O-N 3.16Å; I112-L116 HydrophobicContact CG2-CD1 3.59Å; I112-L116 HydrophobicContact CG2-CG 4.17Å; I112-L116 WeakPolarHBondContact O-CB 3.39Å; I112-L116 WeakPolarHBondContact O-CG 3.37Å; I112-L116 PolarHBondContact O-N 2.91Å
113	N	87.3	Confident	78	Confident	43 Å²	43	59.3 Å²	59.3	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-57.9	-40.6	176.2	-81.1	-23.7	0	0	0	111.5	Y26 V109 L110 T117	Y26-N113 PolarHBondContact OH-OD1 3.38Å; V109-N113 VanDerWaalsContact O-CB 3.32Å; V109-N113 WeakPolarHBondContact O-CB 3.49Å; V109-N113 PolarHBondContact O-N 2.71Å; L110-N113 PolarHBondContact O-N 3.16Å; N113-T117 WeakPolarHBondContact O-CA 3.2Å; N113-T117 WeakPolarHBondContact O-CB 3.22Å; N113-T117 PolarHBondContact O-N 2.95Å; N113-T117 PolarHBondContact O-OG1 3.38Å
114	N	80.3	Confident	76.1	Confident	73 Å²	73	65.9 Å²	65.9	39%	0.39	31%	0.311	S	S	.	.	H	α-helix	trans	-66.3	-43.3	176.5	-79.4	-26.8	0	0	0	112	L110 R111 I112 R118	L110-N114 VanDerWaalsContact O-CB 3.3Å; L110-N114 WeakPolarHBondContact O-CB 3.48Å; L110-N114 PolarHBondContact O-N 3.34Å; L110-N114 PolarHBondContact O-ND2 3.18Å; R111-N114 PolarHBondContact O-N 2.94Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.17Å; N114-R118 WeakPolarHBondContact O-CB 3.18Å; N114-R118 WeakPolarHBondContact O-CG 3.35Å; N114-R118 PolarHBondContact O-N 3.16Å
115	L	80.4	Confident	74.4	Confident	9 Å²	9	67 Å²	67	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-59.5	-51.9	176.2	-171.7	158.8	0	0	0	110.5	I47 P74 I76 D96 D97 R111 I112 R118 M119	I47-L115 HydrophobicContact CD1-CD1 4.33Å; I47-L115 HydrophobicContact CD1-CD2 4.15Å; P74-L115 HydrophobicContact CB-CD2 4.18Å; I76-L115 HydrophobicContact CD1-CD1 4.35Å; I76-L115 HydrophobicContact CG1-CD1 4.37Å; D96-L115 HydrophobicContact CB-CD1 3.76Å; D97-L115 HydrophobicContact CB-CD1 4.4Å; R111-L115 WeakPolarHBondContact O-CB 3.15Å; R111-L115 PolarHBondContact O-N 3.28Å; I112-L115 PolarHBondContact O-N 3.33Å; I112-L115 VanDerWaalsContact O-N 3.16Å; L115-R118 PolarHBondContact O-N 3.41Å; L115-M119 HydrophobicContact CD2-SD 3.9Å; L115-M119 WeakPolarHBondContact O-CG 3.34Å; L115-M119 PolarHBondContact O-N 3.33Å
116	L	82.3	Confident	72.9	Confident	20 Å²	20	72.4 Å²	72.4	11%	0.105	34%	0.344	C	S	.	.	H	α-helix	trans	-70.5	-35.5	-179.3	-63.8	173.4	0	0	0	113.3	T2 Y26 I112 R118 M119 K120	T2-L116 HydrophobicContact CG2-CD1 3.76Å; Y26-L116 HydrophobicContact CE1-CD1 3.91Å; Y26-L116 WeakPolarHBondContact OH-CD1 3.48Å; I112-L116 HydrophobicContact CG2-CD1 3.59Å; I112-L116 HydrophobicContact CG2-CG 4.17Å; I112-L116 WeakPolarHBondContact O-CB 3.39Å; I112-L116 WeakPolarHBondContact O-CG 3.37Å; I112-L116 PolarHBondContact O-N 2.91Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-M119 HydrophobicContact CD2-SD 3.88Å; L116-M119 WeakPolarHBondContact O-CB 3.45Å; L116-M119 PolarHBondContact O-N 3.14Å; L116-K120 PolarHBondContact O-N 3.01Å
117	T	75.4	Confident	71.7	Confident	62 Å²	62	67.5 Å²	67.5	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-69	-36.3	177.2	-61	0	0	0	0	110.6	N113 M119 K120 K121	N113-T117 WeakPolarHBondContact O-CA 3.2Å; N113-T117 WeakPolarHBondContact O-CB 3.22Å; N113-T117 PolarHBondContact O-N 2.95Å; N113-T117 PolarHBondContact O-OG1 3.38Å; T117-M119 VanDerWaalsContact C-N 3.3Å; T117-M119 PolarHBondContact O-N 3.3Å; T117-K120 CarbonylContact O-C 3.58Å; T117-K120 WeakPolarHBondContact O-CA 3.4Å; T117-K120 PolarHBondContact O-N 3.3Å; T117-K121 HydrophobicContact CG2-CD 4.22Å; T117-K121 HydrophobicContact CG2-CG 4.34Å; T117-K121 WeakPolarHBondContact O-CB 3.21Å; T117-K121 PolarHBondContact O-N 2.62Å
118	R	67.7	Low	71.5	Confident	66 Å²	66	69.2 Å²	69.2	25%	0.249	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-39.5	174.5	-74.8	173.8	-167.6	-173.7	14.9	111.3	N114 L115 L116 K120 K121 Y122 V181 W182	N114-R118 WeakPolarHBondContact O-CB 3.18Å; N114-R118 WeakPolarHBondContact O-CG 3.35Å; N114-R118 PolarHBondContact O-N 3.16Å; L115-R118 PolarHBondContact O-N 3.41Å; L116-R118 VanDerWaalsContact C-N 3.34Å; R118-K120 PolarHBondContact O-N 3.38Å; R118-K120 VanDerWaalsContact O-N 3.13Å; R118-K121 PolarHBondContact O-N 3.45Å; R118-Y122 WeakPolarHBondContact O-CD2 2.99Å; R118-Y122 PolarHBondContact O-N 3.31Å; R118-V181 PolarHBondContact NH1-O 3.4Å; R118-V181 VanDerWaalsContact NH1-O 3.16Å; R118-W182 PolarHBondContact NH1-O 2.98Å; R118-W182 PolarHBondContact NH2-O 2.88Å
119	M	64.5	Low	71.5	Confident	57 Å²	57	74.1 Å²	74.1	28%	0.281	36%	0.364	S	S	.	.	H	α-helix	trans	-54.1	-34.3	171.6	-64.5	168.6	60.8	0	0	112.5	L115 L116 T117 I155	L115-M119 HydrophobicContact CD2-SD 3.9Å; L115-M119 WeakPolarHBondContact O-CG 3.34Å; L115-M119 PolarHBondContact O-N 3.33Å; L116-M119 HydrophobicContact CD2-SD 3.88Å; L116-M119 WeakPolarHBondContact O-CB 3.45Å; L116-M119 PolarHBondContact O-N 3.14Å; T117-M119 VanDerWaalsContact C-N 3.3Å; T117-M119 PolarHBondContact O-N 3.3Å; M119-I155 HydrophobicContact CE-CD1 3.27Å; M119-I155 HydrophobicContact CE-CG1 3.92Å; M119-I155 HydrophobicContact CG-CB 4.48Å; M119-I155 HydrophobicContact CG-CD1 4.22Å; M119-I155 HydrophobicContact CG-CG1 4.11Å; M119-I155 HydrophobicContact CG-CG2 3.72Å; M119-I155 HydrophobicContact SD-CD1 3.66Å; M119-I155 HydrophobicContact SD-CG1 4.22Å
120	K	60.4	Low	71.6	Confident	148 Å²	148	75.1 Å²	75.1	64%	0.643	37%	0.369	S	S	*	.	H	α-helix	trans	-87.1	-38.6	175.8	-62.8	-179.9	-177.7	175.1	0	114.4	L116 T117 R118 Y122 H123	L116-K120 PolarHBondContact O-N 3.01Å; T117-K120 CarbonylContact O-C 3.58Å; T117-K120 WeakPolarHBondContact O-CA 3.4Å; T117-K120 PolarHBondContact O-N 3.3Å; R118-K120 PolarHBondContact O-N 3.38Å; R118-K120 VanDerWaalsContact O-N 3.13Å; K120-Y122 PolarHBondContact O-N 3.36Å; K120-H123 WeakPolarHBondContact O-CB 3.35Å; K120-H123 PolarHBondContact O-CD2 3.13Å; K120-H123 PolarHBondContact O-N 2.82Å
121	K	51	Low	72	Confident	162 Å²	162	74 Å²	74	70%	0.704	37%	0.369	S	S	*	.	H	α-helix	trans	-74.2	-24.1	-170.4	-109.2	-174.6	179.8	178.6	0	113.9	T117 R118 H123 H124	T117-K121 HydrophobicContact CG2-CD 4.22Å; T117-K121 HydrophobicContact CG2-CG 4.34Å; T117-K121 WeakPolarHBondContact O-CB 3.21Å; T117-K121 PolarHBondContact O-N 2.62Å; R118-K121 PolarHBondContact O-N 3.45Å; K121-H123 PolarHBondContact O-N 2.82Å; K121-H124 PolarHBondContact O-N 2.98Å
122	Y	50	Low	72.4	Confident	31 Å²	31	73.4 Å²	73.4	12%	0.122	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-60.8	-9.3	174.8	-93.2	-83.7	0	0	0	113.6	R118 K120 H124 N139 K142 E159	R118-Y122 WeakPolarHBondContact O-CD2 2.99Å; R118-Y122 PolarHBondContact O-N 3.31Å; K120-Y122 PolarHBondContact O-N 3.36Å; Y122-H124 PolarHBondContact O-N 2.61Å; Y122-H124 VanDerWaalsContact O-N 3.11Å; Y122-N139 VanDerWaalsContact CD1-OD1 3.32Å; Y122-N139 WeakPolarHBondContact CD1-OD1 3.47Å; Y122-N139 PolarHBondContact O-ND2 3.09Å; Y122-K142 VanDerWaalsContact CB-CE 3.47Å; Y122-E159 HydrophobicContact CD2-CG 4.43Å; Y122-E159 HydrophobicContact CE2-CG 3.95Å; Y122-E159 VanDerWaalsContact CE2-OE1 3.28Å; Y122-E159 WeakPolarHBondContact CE2-OE1 3.47Å
123	H	48.7	Very low	72.6	Confident	88 Å²	88	77.9 Å²	77.9	41%	0.407	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-62.5	-10.6	174.3	-75.9	-63.4	0	0	0	115.9	K120 K121 L140	K120-H123 WeakPolarHBondContact O-CB 3.35Å; K120-H123 PolarHBondContact O-CD2 3.13Å; K120-H123 PolarHBondContact O-N 2.82Å; K121-H123 PolarHBondContact O-N 2.82Å; H123-L140 HydrophobicContact CB-CD2 3.92Å; H123-L140 PolarHBondContact CE1-O 3.46Å; H123-L140 WeakPolarHBondContact ND1-CD2 3.33Å; H123-L140 PolarHBondContact ND1-O 3.33Å; H123-L140 WeakPolarHBondContact O-CD2 3.49Å
124	H	47	Very low	73	Confident	175 Å²	175	79.1 Å²	79.1	81%	0.81	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-114	19.5	-172	-75.2	54.2	0	0	0	115.4	K121 Y122	K121-H124 PolarHBondContact O-N 2.98Å; Y122-H124 PolarHBondContact O-N 2.61Å; Y122-H124 VanDerWaalsContact O-N 3.11Å
125	Q	53.7	Low	73.8	Confident	80 Å²	80	75.7 Å²	75.7	37%	0.374	38%	0.377	S	S	.	.			trans	-80	137.5	168.3	-68.4	-170.2	-1	0	0	110	V127	Q125-V127 PolarHBondContact O-N 3.33Å; Q125-V127 VanDerWaalsContact O-N 3.17Å
126	P	58.5	Low	74.5	Confident	134 Å²	134	76.4 Å²	76.4	87%	0.87	38%	0.382	S	S	*	.	S	Bend	trans	-63.4	-22.5	-179.3	24.9	-33.4	0	0	0	112.8
127	V	64.6	Low	75.2	Confident	71 Å²	71	75.4 Å²	75.4	43%	0.43	38%	0.377	S	S	.	.			trans	-92	106.1	171.1	-175.1	0	0	0	0	107.8	Q125 Q129 L130 W162	Q125-V127 PolarHBondContact O-N 3.33Å; Q125-V127 VanDerWaalsContact O-N 3.17Å; V127-Q129 WeakPolarHBondContact CG1-O 3.18Å; V127-L130 HydrophobicContact CG1-CD2 3.74Å; V127-L130 HydrophobicContact CG1-CG 4.33Å; V127-W162 HydrophobicContact CG1-CH2 4.17Å; V127-W162 HydrophobicContact CG1-CZ2 4.4Å; V127-W162 WeakPolarHBondContact O-CH2 3.1Å; V127-W162 VanDerWaalsContact O-CZ2 3.3Å; V127-W162 WeakPolarHBondContact O-CZ2 3.39Å
128	E	83.7	Confident	75.9	Confident	109 Å²	109	74.8 Å²	74.8	51%	0.509	37%	0.371	S	S	.	.			trans	-88.3	-21.4	-179.5	-63.5	-176.7	170.3	0	0	112.3	N139 L140	E128-N139 PolarHBondContact O-N 3.07Å; E128-L140 HydrophobicContact CB-CD1 4.25Å; E128-L140 HydrophobicContact CB-CG 4.48Å; E128-L140 HydrophobicContact CG-CD1 4.1Å; E128-L140 HydrophobicContact CG-CG 4.37Å
129	Q	91.4	Very high	76.9	Confident	103 Å²	103	71.7 Å²	71.7	48%	0.481	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.3	-176.3	-171.7	179.3	-60.2	0	0	111.6	V127 S131 T136 L137 I138	V127-Q129 WeakPolarHBondContact CG1-O 3.18Å; Q129-S131 PolarHBondContact NE2-OG 2.92Å; Q129-S131 VanDerWaalsContact NE2-OG 3.1Å; Q129-T136 VanDerWaalsContact CD-CG2 3.43Å; Q129-T136 HydrophobicContact CG-CG2 3.52Å; Q129-L137 VanDerWaalsContact CA-O 3.23Å; Q129-L137 WeakPolarHBondContact CA-O 3.31Å; Q129-L137 WeakPolarHBondContact CG-O 3.48Å; Q129-I138 HydrophobicContact CG-CG1 4.36Å
130	L	94.3	Very high	77.7	Confident	26 Å²	26	71.9 Å²	71.9	14%	0.136	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.4	166	-62	171	0	0	0	108.8	V127 F132 T136 L137 W162 A165	V127-L130 HydrophobicContact CG1-CD2 3.74Å; V127-L130 HydrophobicContact CG1-CG 4.33Å; L130-F132 HydrophobicContact CB-CD2 4.49Å; L130-F132 HydrophobicContact CB-CE2 3.65Å; L130-F132 HydrophobicContact CB-CZ 4.21Å; L130-F132 HydrophobicContact CD1-CE2 4.34Å; L130-T136 CarbonylContact O-C 3.5Å; L130-T136 WeakPolarHBondContact O-CA 3.07Å; L130-L137 PolarHBondContact N-O 3.13Å; L130-L137 PolarHBondContact O-N 3.42Å; L130-W162 HydrophobicContact CB-CZ3 4.19Å; L130-W162 HydrophobicContact CD1-CD2 4.19Å; L130-W162 HydrophobicContact CD1-CE3 3.9Å; L130-W162 HydrophobicContact CD1-CH2 4.04Å; L130-W162 HydrophobicContact CD1-CZ2 4.35Å; L130-W162 HydrophobicContact CD1-CZ3 3.82Å; L130-W162 HydrophobicContact CG-CE3 4.27Å; L130-W162 HydrophobicContact CG-CH2 3.7Å; L130-W162 HydrophobicContact CG-CZ2 4.36Å; L130-W162 HydrophobicContact CG-CZ3 3.67Å; L130-A165 HydrophobicContact CD1-CB 4.06Å
131	S	94.7	Very high	78.9	Confident	69 Å²	69	68 Å²	68	48%	0.483	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.3	178.3	-66.4	0	0	0	0	110.4	Q129 L135 T136	Q129-S131 PolarHBondContact NE2-OG 2.92Å; Q129-S131 VanDerWaalsContact NE2-OG 3.1Å; S131-L135 CarbonylContact C-O 3.6Å; S131-L135 WeakPolarHBondContact CA-O 3.23Å; S131-T136 PolarHBondContact OG-OG1 2.95Å; S131-T136 VanDerWaalsContact OG-OG1 3.12Å
132	F	95.5	Very high	80.7	Confident	16 Å²	16	61.9 Å²	61.9	7%	0.07	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	90.9	-179.5	-57.6	-81.9	0	0	0	108.2	L130 E134 L135 L137 A165 E168 Y212 F224	L130-F132 HydrophobicContact CB-CD2 4.49Å; L130-F132 HydrophobicContact CB-CE2 3.65Å; L130-F132 HydrophobicContact CB-CZ 4.21Å; L130-F132 HydrophobicContact CD1-CE2 4.34Å; F132-E134 PolarHBondContact O-N 3.18Å; F132-L135 HydrophobicContact CB-CB 4.42Å; F132-L135 HydrophobicContact CD2-CD2 4.4Å; F132-L135 PolarHBondContact N-O 3.05Å; F132-L135 WeakPolarHBondContact O-CB 3.26Å; F132-L135 PolarHBondContact O-N 3.36Å; F132-L137 HydrophobicContact CD2-CD1 4.28Å; F132-L137 HydrophobicContact CE2-CD1 4.36Å; F132-A165 HydrophobicContact CE2-CB 3.68Å; F132-A165 HydrophobicContact CZ-CB 4Å; F132-A165 VanDerWaalsContact CZ-O 3.3Å; F132-A165 WeakPolarHBondContact CZ-O 3.4Å; F132-E168 HydrophobicContact CE1-CB 4.31Å; F132-E168 HydrophobicContact CE1-CG 4.21Å; F132-Y212 HydrophobicContact CB-CD1 4.49Å; F132-Y212 HydrophobicContact CB-CD2 3.83Å; F132-Y212 HydrophobicContact CB-CE1 4.5Å; F132-Y212 HydrophobicContact CB-CE2 3.86Å; F132-Y212 HydrophobicContact CB-CG 4.17Å; F132-Y212 HydrophobicContact CD1-CD1 4.27Å; F132-Y212 AromaticContact CD1-CE1 3.81Å; F132-Y212 HydrophobicContact CD1-CE1 3.81Å; F132-Y212 HydrophobicContact CD1-CE2 4.42Å; F132-Y212 AromaticContact CD1-CZ 3.9Å; F132-Y212 HydrophobicContact CG-CE1 4.47Å; F132-F224 HydrophobicContact CB-CZ 4.46Å; F132-F224 AromaticContact CD1-CE1 3.73Å; F132-F224 HydrophobicContact CD1-CE1 3.73Å; F132-F224 HydrophobicContact CD1-CZ 4.42Å; F132-F224 AromaticContact CD2-CE1 3.81Å; F132-F224 HydrophobicContact CD2-CE1 3.81Å; F132-F224 AromaticContact CD2-CZ 3.93Å; F132-F224 HydrophobicContact CD2-CZ 3.93Å; F132-F224 HydrophobicContact CE1-CD1 4.44Å; F132-F224 AromaticContact CE1-CE1 3.75Å; F132-F224 HydrophobicContact CE1-CE1 3.75Å; F132-F224 AromaticContact CE2-CE1 3.83Å; F132-F224 HydrophobicContact CE2-CE1 3.83Å; F132-F224 HydrophobicContact CE2-CZ 4.27Å; F132-F224 AromaticContact CG-CE1 3.76Å; F132-F224 HydrophobicContact CG-CE1 3.76Å; F132-F224 HydrophobicContact CG-CZ 4.01Å; F132-F224 HydrophobicContact CZ-CD1 4.42Å; F132-F224 AromaticContact CZ-CE1 3.81Å; F132-F224 HydrophobicContact CZ-CE1 3.81Å
133	D	93.8	Very high	82.6	Confident	93 Å²	93	61.8 Å²	61.8	50%	0.497	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-110.6	-171.3	-62.7	-24.4	0	0	0	111	T211 R226	D133-T211 HydrophobicContact CB-CG2 4.26Å; D133-T211 WeakPolarHBondContact OD2-CG2 3.29Å; D133-R226 IonicContact OD2-NH2 3.4Å; D133-R226 PolarHBondContact OD2-NH2 3.39Å
134	E	94.2	Very high	84.9	Confident	70 Å²	70	57.6 Å²	57.6	33%	0.327	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.3	-178.5	-54.1	77.3	-167.2	0	0	114.1	F132 V146 N147 F209 T211	F132-E134 PolarHBondContact O-N 3.18Å; E134-V146 CarbonylContact O-C 3.56Å; E134-V146 WeakPolarHBondContact O-CA 3.36Å; E134-N147 WeakPolarHBondContact CB-OD1 3.49Å; E134-N147 WeakPolarHBondContact CG-OD1 3.38Å; E134-N147 PolarHBondContact O-N 2.86Å; E134-F209 HydrophobicContact CB-CD2 4.14Å; E134-F209 HydrophobicContact CB-CE2 4.21Å; E134-T211 PolarHBondContact OE2-OG1 3.14Å; E134-T211 VanDerWaalsContact OE2-OG1 3.06Å
135	L	97.4	Very high	87.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.7	-177.1	175.6	69.2	0	0	0	110.5	S131 F132 L137 V144 T145 V146 L204 F209 F224	S131-L135 CarbonylContact C-O 3.6Å; S131-L135 WeakPolarHBondContact CA-O 3.23Å; F132-L135 HydrophobicContact CB-CB 4.42Å; F132-L135 HydrophobicContact CD2-CD2 4.4Å; F132-L135 PolarHBondContact N-O 3.05Å; F132-L135 WeakPolarHBondContact O-CB 3.26Å; F132-L135 PolarHBondContact O-N 3.36Å; L135-L137 HydrophobicContact CD1-CD1 4.25Å; L135-L137 HydrophobicContact CD2-CD1 3.92Å; L135-L137 HydrophobicContact CG-CD1 3.78Å; L135-V144 HydrophobicContact CD1-CG1 3.44Å; L135-V144 VanDerWaalsContact CD1-CG1 3.44Å; L135-T145 CarbonylContact C-O 3.58Å; L135-T145 WeakPolarHBondContact CA-O 3.31Å; L135-V146 HydrophobicContact CD1-CG2 3.91Å; L135-L204 HydrophobicContact CD1-CD2 3.88Å; L135-F209 HydrophobicContact CB-CD1 4.36Å; L135-F209 HydrophobicContact CB-CD2 4.16Å; L135-F209 HydrophobicContact CB-CE1 3.75Å; L135-F209 HydrophobicContact CB-CE2 3.52Å; L135-F209 HydrophobicContact CB-CZ 3.28Å; L135-F209 HydrophobicContact CD2-CD1 4.4Å; L135-F209 HydrophobicContact CD2-CE1 3.61Å; L135-F209 HydrophobicContact CD2-CZ 3.88Å; L135-F209 HydrophobicContact CG-CE1 4.2Å; L135-F209 HydrophobicContact CG-CZ 4.17Å; L135-F224 HydrophobicContact CD2-CE2 4.22Å; L135-F224 HydrophobicContact CD2-CZ 3.95Å
136	T	96.4	Very high	89.2	Confident	24 Å²	24	46.7 Å²	46.7	15%	0.147	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.9	172.1	-68.4	0	0	0	0	110.2	Q129 L130 S131 I138 V144 T145	Q129-T136 VanDerWaalsContact CD-CG2 3.43Å; Q129-T136 HydrophobicContact CG-CG2 3.52Å; L130-T136 CarbonylContact O-C 3.5Å; L130-T136 WeakPolarHBondContact O-CA 3.07Å; S131-T136 PolarHBondContact OG-OG1 2.95Å; S131-T136 VanDerWaalsContact OG-OG1 3.12Å; T136-I138 HydrophobicContact CG2-CG1 4.12Å; T136-V144 CarbonylContact O-C 3.59Å; T136-V144 WeakPolarHBondContact O-CA 2.83Å; T136-T145 WeakPolarHBondContact CB-OG1 3.47Å; T136-T145 PolarHBondContact N-O 3.09Å; T136-T145 PolarHBondContact O-N 2.67Å
137	L	96.3	Very high	90.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.9	174.3	-62.1	72.9	0	0	0	108	Q129 L130 F132 L135 V144 F158 L161 W162 A165	Q129-L137 VanDerWaalsContact CA-O 3.23Å; Q129-L137 WeakPolarHBondContact CA-O 3.31Å; Q129-L137 WeakPolarHBondContact CG-O 3.48Å; L130-L137 PolarHBondContact N-O 3.13Å; L130-L137 PolarHBondContact O-N 3.42Å; F132-L137 HydrophobicContact CD2-CD1 4.28Å; F132-L137 HydrophobicContact CE2-CD1 4.36Å; L135-L137 HydrophobicContact CD1-CD1 4.25Å; L135-L137 HydrophobicContact CD2-CD1 3.92Å; L135-L137 HydrophobicContact CG-CD1 3.78Å; L137-V144 HydrophobicContact CG-CG2 4.45Å; L137-F158 HydrophobicContact CB-CE2 4.19Å; L137-F158 HydrophobicContact CB-CZ 4.33Å; L137-L161 HydrophobicContact CD2-CB 4.48Å; L137-L161 HydrophobicContact CD2-CD2 4.12Å; L137-L161 HydrophobicContact CD2-CG 3.84Å; L137-L161 HydrophobicContact CG-CD2 4.39Å; L137-W162 HydrophobicContact CB-CE3 3.74Å; L137-W162 HydrophobicContact CB-CZ3 3.91Å; L137-W162 HydrophobicContact CD2-CB 4.27Å; L137-W162 HydrophobicContact CD2-CE3 3.98Å; L137-A165 HydrophobicContact CD2-CB 4.18Å
138	I	91.2	Very high	92.1	Very high	48 Å²	48	44.8 Å²	44.8	25%	0.246	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110.1	178.3	-53.9	172.7	0	0	0	108.2	Q129 T136 L140 S141 K142 V143 F158	Q129-I138 HydrophobicContact CG-CG1 4.36Å; T136-I138 HydrophobicContact CG2-CG1 4.12Å; I138-L140 PolarHBondContact O-N 3.03Å; I138-S141 WeakPolarHBondContact CB-OG 3.43Å; I138-S141 VanDerWaalsContact CG2-OG 3.25Å; I138-S141 WeakPolarHBondContact CG2-OG 3.47Å; I138-K142 WeakPolarHBondContact O-CA 3.49Å; I138-K142 PolarHBondContact O-N 3.01Å; I138-V143 PolarHBondContact N-O 3.25Å; I138-V143 PolarHBondContact O-N 2.81Å; I138-F158 VanDerWaalsContact O-CZ 3.28Å; I138-F158 WeakPolarHBondContact O-CZ 3.25Å
139	N	87.2	Confident	92.5	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.011	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-35.5	-172.4	-170	22.4	0	0	0	113.4	Y122 E128 K142 W162	Y122-N139 VanDerWaalsContact CD1-OD1 3.32Å; Y122-N139 WeakPolarHBondContact CD1-OD1 3.47Å; Y122-N139 PolarHBondContact O-ND2 3.09Å; E128-N139 PolarHBondContact O-N 3.07Å; N139-K142 WeakPolarHBondContact O-CD 3.28Å; N139-K142 VanDerWaalsContact O-CE 3.28Å; N139-K142 WeakPolarHBondContact O-CE 3.25Å; N139-K142 PolarHBondContact OD1-NZ 2.96Å; N139-W162 HydrophobicContact CB-CD2 4.17Å; N139-W162 HydrophobicContact CB-CE3 4.03Å; N139-W162 HydrophobicContact CB-CH2 3.48Å; N139-W162 VanDerWaalsContact CB-CH2 3.48Å; N139-W162 HydrophobicContact CB-CZ2 3.59Å; N139-W162 HydrophobicContact CB-CZ3 3.69Å
140	L	81.6	Confident	92.6	Very high	60 Å²	60	46.9 Å²	46.9	31%	0.314	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-51.2	179.2	-71.4	169.5	0	0	0	110.8	H123 E128 I138	H123-L140 HydrophobicContact CB-CD2 3.92Å; H123-L140 PolarHBondContact CE1-O 3.46Å; H123-L140 WeakPolarHBondContact ND1-CD2 3.33Å; H123-L140 PolarHBondContact ND1-O 3.33Å; H123-L140 WeakPolarHBondContact O-CD2 3.49Å; E128-L140 HydrophobicContact CB-CD1 4.25Å; E128-L140 HydrophobicContact CB-CG 4.48Å; E128-L140 HydrophobicContact CG-CD1 4.1Å; E128-L140 HydrophobicContact CG-CG 4.37Å; I138-L140 PolarHBondContact O-N 3.03Å
141	S	85.6	Confident	92.6	Very high	67 Å²	67	45.8 Å²	45.8	47%	0.469	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-6	-176.3	54.9	0	0	0	0	114	I138 V143	I138-S141 WeakPolarHBondContact CB-OG 3.43Å; I138-S141 VanDerWaalsContact CG2-OG 3.25Å; I138-S141 WeakPolarHBondContact CG2-OG 3.47Å; S141-V143 PolarHBondContact O-N 3.3Å; S141-V143 WeakPolarHBondContact OG-CG2 3.37Å
142	K	88.2	Confident	92.3	Very high	33 Å²	33	46.7 Å²	46.7	14%	0.143	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	31.7	-173.8	-54.3	-61.4	-177.9	-178.7	0	113.2	Y122 I138 N139 F158	Y122-K142 VanDerWaalsContact CB-CE 3.47Å; I138-K142 WeakPolarHBondContact O-CA 3.49Å; I138-K142 PolarHBondContact O-N 3.01Å; N139-K142 WeakPolarHBondContact O-CD 3.28Å; N139-K142 VanDerWaalsContact O-CE 3.28Å; N139-K142 WeakPolarHBondContact O-CE 3.25Å; N139-K142 PolarHBondContact OD1-NZ 2.96Å; K142-F158 VanDerWaalsContact C-CE2 3.46Å; K142-F158 HydrophobicContact CB-CD1 4.27Å; K142-F158 HydrophobicContact CB-CD2 4.3Å; K142-F158 HydrophobicContact CB-CG 4.15Å; K142-F158 HydrophobicContact CD-CD1 3.34Å; K142-F158 HydrophobicContact CD-CE1 3.4Å; K142-F158 HydrophobicContact CD-CG 4.06Å; K142-F158 HydrophobicContact CD-CZ 4.15Å; K142-F158 HydrophobicContact CG-CD1 4.43Å; K142-F158 VanDerWaalsContact O-CD2 3.25Å; K142-F158 WeakPolarHBondContact O-CD2 3.36Å
143	V	90.9	Very high	92.1	Very high	29 Å²	29	46.9 Å²	46.9	18%	0.176	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.8	-178.1	170.4	0	0	0	0	110.1	I138 S141 T145 E150 F158	I138-V143 PolarHBondContact N-O 3.25Å; I138-V143 PolarHBondContact O-N 2.81Å; S141-V143 PolarHBondContact O-N 3.3Å; S141-V143 WeakPolarHBondContact OG-CG2 3.37Å; V143-T145 HydrophobicContact CG1-CG2 3.82Å; V143-E150 HydrophobicContact CG1-CG 4.13Å; V143-F158 WeakPolarHBondContact O-CE2 3.39Å
144	V	95.9	Very high	91.9	Very high	1 Å²	1	43 Å²	43	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.7	166.6	-176.3	0	0	0	0	108.2	L135 T136 L137 E150 V151 M153 F158 L161	L135-V144 HydrophobicContact CD1-CG1 3.44Å; L135-V144 VanDerWaalsContact CD1-CG1 3.44Å; T136-V144 CarbonylContact O-C 3.59Å; T136-V144 WeakPolarHBondContact O-CA 2.83Å; L137-V144 HydrophobicContact CG-CG2 4.45Å; V144-E150 WeakPolarHBondContact O-CA 2.92Å; V144-V151 HydrophobicContact CB-CB 4.43Å; V144-V151 HydrophobicContact CG1-CB 4.37Å; V144-V151 PolarHBondContact O-N 3.1Å; V144-M153 HydrophobicContact CB-SD 4.31Å; V144-M153 HydrophobicContact CG1-CE 4.26Å; V144-M153 HydrophobicContact CG2-CE 4.44Å; V144-M153 HydrophobicContact CG2-CG 4.29Å; V144-M153 HydrophobicContact CG2-SD 3.7Å; V144-F158 HydrophobicContact CG2-CD2 3.61Å; V144-F158 HydrophobicContact CG2-CE2 4Å; V144-L161 HydrophobicContact CG1-CD2 4.45Å; V144-L161 HydrophobicContact CG2-CD2 4.32Å
145	T	95.4	Very high	91.5	Very high	23 Å²	23	41 Å²	41	14%	0.141	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.9	171.8	66.7	0	0	0	0	111.4	L135 T136 V143 H149	L135-T145 CarbonylContact C-O 3.58Å; L135-T145 WeakPolarHBondContact CA-O 3.31Å; T136-T145 WeakPolarHBondContact CB-OG1 3.47Å; T136-T145 PolarHBondContact N-O 3.09Å; T136-T145 PolarHBondContact O-N 2.67Å; V143-T145 HydrophobicContact CG1-CG2 3.82Å; T145-H149 CarbonylContact C-O 3.55Å; T145-H149 WeakPolarHBondContact CA-O 3.32Å; T145-H149 WeakPolarHBondContact CB-O 3.23Å
146	V	96.7	Very high	91	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.9	168.3	169.5	0	0	0	0	107.5	E134 L135 G148 H149 V151 L204 E207 F209	E134-V146 CarbonylContact O-C 3.56Å; E134-V146 WeakPolarHBondContact O-CA 3.36Å; L135-V146 HydrophobicContact CD1-CG2 3.91Å; V146-G148 PolarHBondContact O-N 3.29Å; V146-H149 PolarHBondContact N-O 3.47Å; V146-H149 WeakPolarHBondContact O-CB 3.44Å; V146-H149 PolarHBondContact O-N 3.01Å; V146-V151 HydrophobicContact CB-CG2 3.9Å; V146-V151 HydrophobicContact CG2-CG2 3.66Å; V146-L204 HydrophobicContact CG2-CD2 4.06Å; V146-E207 HydrophobicContact CB-CB 4.08Å; V146-E207 HydrophobicContact CG1-CB 3.96Å; V146-E207 HydrophobicContact CG2-CB 4.33Å; V146-F209 HydrophobicContact CG1-CB 3.81Å; V146-F209 HydrophobicContact CG1-CD2 4.31Å; V146-F209 HydrophobicContact CG1-CG 4.38Å; V146-F209 HydrophobicContact CG2-CB 3.94Å; V146-F209 HydrophobicContact CG2-CG 4.17Å
147	N	93	Very high	90.9	Very high	101 Å²	101	40.2 Å²	40.2	54%	0.54	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	35.6	-175	-67.8	-63.9	0	0	0	112.9	E134 H149	E134-N147 WeakPolarHBondContact CB-OD1 3.49Å; E134-N147 WeakPolarHBondContact CG-OD1 3.38Å; E134-N147 PolarHBondContact O-N 2.86Å; N147-H149 PolarHBondContact O-N 3.31Å; N147-H149 PolarHBondContact O-ND1 3.5Å; N147-H149 VanDerWaalsContact O-ND1 3.12Å
148	G	90.5	Very high	90.8	Very high	64 Å²	64	40.2 Å²	40.2	66%	0.66	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	-2.2	-176.3	0	0	0	0	0	115.5	V146	V146-G148 PolarHBondContact O-N 3.29Å
149	H	92.6	Very high	90.8	Very high	126 Å²	126	38 Å²	38	58%	0.583	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.4	174.4	-58.2	92.9	0	0	0	109.9	T145 V146 N147 V151	T145-H149 CarbonylContact C-O 3.55Å; T145-H149 WeakPolarHBondContact CA-O 3.32Å; T145-H149 WeakPolarHBondContact CB-O 3.23Å; V146-H149 PolarHBondContact N-O 3.47Å; V146-H149 WeakPolarHBondContact O-CB 3.44Å; V146-H149 PolarHBondContact O-N 3.01Å; N147-H149 PolarHBondContact O-N 3.31Å; N147-H149 PolarHBondContact O-ND1 3.5Å; N147-H149 VanDerWaalsContact O-ND1 3.12Å; H149-V151 PolarHBondContact O-N 3.46Å
150	E	93.9	Very high	91.2	Very high	129 Å²	129	37.9 Å²	37.9	60%	0.603	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	130.2	178	-176.7	172.3	158.8	0	0	111.3	V143 V144 P152	V143-E150 HydrophobicContact CG1-CG 4.13Å; V144-E150 WeakPolarHBondContact O-CA 2.92Å; E150-P152 WeakPolarHBondContact O-CD 3.41Å
151	V	94.5	Very high	92	Very high	4 Å²	4	35 Å²	35	2%	0.024	20%	0.203	C	C	.	.			trans	-102.6	106.8	174.4	-171.3	0	0	0	0	107.5	V144 V146 H149 M153 K203 E207	V144-V151 HydrophobicContact CB-CB 4.43Å; V144-V151 HydrophobicContact CG1-CB 4.37Å; V144-V151 PolarHBondContact O-N 3.1Å; V146-V151 HydrophobicContact CB-CG2 3.9Å; V146-V151 HydrophobicContact CG2-CG2 3.66Å; H149-V151 PolarHBondContact O-N 3.46Å; V151-M153 HydrophobicContact CG1-CE 4.26Å; V151-M153 PolarHBondContact O-N 3.04Å; V151-K203 HydrophobicContact CG1-CB 4.13Å; V151-E207 HydrophobicContact CG1-CG 4.11Å; V151-E207 HydrophobicContact CG2-CG 3.75Å
152	P	88.4	Confident	92.4	Very high	88 Å²	88	32 Å²	32	57%	0.571	18%	0.181	S	C	*	.			trans	-60.9	113.6	-176.5	-24.2	34.2	0	0	0	110.9	E150 K203	E150-P152 WeakPolarHBondContact O-CD 3.41Å; P152-K203 WeakPolarHBondContact O-CD 3.42Å; P152-K203 WeakPolarHBondContact O-CE 3.48Å; P152-K203 PolarHBondContact O-NZ 2.94Å
153	M	90.9	Very high	92.8	Very high	20 Å²	20	31.2 Å²	31.2	10%	0.099	18%	0.177	C	C	.	.			trans	-124.7	139.7	177.2	-74.1	-161.2	-175.5	0	0	110.4	V144 V151 E157 L161 I200 K203 L204	V144-M153 HydrophobicContact CB-SD 4.31Å; V144-M153 HydrophobicContact CG1-CE 4.26Å; V144-M153 HydrophobicContact CG2-CE 4.44Å; V144-M153 HydrophobicContact CG2-CG 4.29Å; V144-M153 HydrophobicContact CG2-SD 3.7Å; V151-M153 HydrophobicContact CG1-CE 4.26Å; V151-M153 PolarHBondContact O-N 3.04Å; M153-E157 HydrophobicContact CB-CB 4.28Å; M153-E157 HydrophobicContact SD-CB 4.47Å; M153-L161 HydrophobicContact CE-CD2 3.97Å; M153-L161 HydrophobicContact SD-CD2 3.99Å; M153-I200 HydrophobicContact CE-CG2 4.22Å; M153-K203 HydrophobicContact CE-CB 4.23Å; M153-K203 HydrophobicContact CG-CD 4.04Å; M153-L204 HydrophobicContact CE-CD2 3.9Å; M153-L204 HydrophobicContact CE-CG 4.07Å
154	R	88.5	Confident	93.1	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.038	17%	0.169	C	C	.	.			trans	-71.1	158.7	173.4	-45.6	-157.9	-78.9	131.3	17.5	109.2	D72 G94 D96 K156 E157 F158 H196	D72-R154 WeakPolarHBondContact OD1-CD 3.31Å; D72-R154 WeakPolarHBondContact OD1-CG 3.43Å; D72-R154 WeakPolarHBondContact OD2-CA 3.36Å; D72-R154 WeakPolarHBondContact OD2-CG 3.33Å; G94-R154 PolarHBondContact O-NH1 3.38Å; G94-R154 PolarHBondContact O-NH2 2.97Å; D96-R154 IonicContact OD2-NH1 2.96Å; D96-R154 PolarHBondContact OD2-NH1 2.83Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.65Å; R154-E157 HydrophobicContact CB-CG 4.29Å; R154-E157 WeakPolarHBondContact CG-OE2 3.36Å; R154-E157 IonicContact CZ-OE1 3.64Å; R154-E157 PolarHBondContact N-OE2 2.85Å; R154-E157 IonicContact NE-OE1 2.99Å; R154-E157 PolarHBondContact NE-OE1 2.99Å; R154-E157 IonicContact NH2-OE1 3.28Å; R154-E157 PolarHBondContact NH2-OE1 2.99Å; R154-E157 WeakPolarHBondContact O-CA 3.43Å; R154-E157 WeakPolarHBondContact O-CB 3.41Å; R154-E157 PolarHBondContact O-N 2.96Å; R154-F158 PolarHBondContact O-N 3.47Å; R154-H196 PolarHBondContact NH2-NE2 3.35Å
155	I	85.8	Confident	93.2	Very high	29 Å²	29	29.9 Å²	29.9	15%	0.149	17%	0.17	C	C	.	.	H	α-helix	trans	-52.6	-47.7	-177.4	-69.3	123.5	0	0	0	112.1	P74 M119 E157 F158 E159	P74-I155 HydrophobicContact CG-CD1 3.58Å; M119-I155 HydrophobicContact CE-CD1 3.27Å; M119-I155 HydrophobicContact CE-CG1 3.92Å; M119-I155 HydrophobicContact CG-CB 4.48Å; M119-I155 HydrophobicContact CG-CD1 4.22Å; M119-I155 HydrophobicContact CG-CG1 4.11Å; M119-I155 HydrophobicContact CG-CG2 3.72Å; M119-I155 HydrophobicContact SD-CD1 3.66Å; M119-I155 HydrophobicContact SD-CG1 4.22Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 2.99Å; I155-F158 WeakPolarHBondContact O-CB 3.5Å; I155-F158 PolarHBondContact O-N 2.92Å; I155-E159 HydrophobicContact CG2-CG 4.19Å; I155-E159 WeakPolarHBondContact O-CB 3.34Å; I155-E159 WeakPolarHBondContact O-CG 3.29Å; I155-E159 PolarHBondContact O-N 3.03Å
156	K	87.9	Confident	93.1	Very high	5 Å²	5	31.1 Å²	31.1	2%	0.022	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-31.2	-179.7	-71.7	-69.9	169.9	-150.3	0	113.8	D96 R154 E159 L160 V181	D96-K156 HydrophobicContact CB-CG 4.02Å; D96-K156 WeakPolarHBondContact OD1-CG 3.17Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.65Å; K156-E159 IonicContact NZ-OE2 3.36Å; K156-E159 PolarHBondContact NZ-OE2 3.28Å; K156-L160 WeakPolarHBondContact O-CB 3.27Å; K156-L160 PolarHBondContact O-N 3.45Å; K156-V181 HydrophobicContact CD-CG1 4.07Å; K156-V181 PolarHBondContact NZ-O 3.5Å
157	E	93.3	Very high	93.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-68.7	-43.9	174.8	-63.5	163	-174.9	0	0	110.1	M153 R154 I155 L161 R199 I200 K203	M153-E157 HydrophobicContact CB-CB 4.28Å; M153-E157 HydrophobicContact SD-CB 4.47Å; R154-E157 HydrophobicContact CB-CG 4.29Å; R154-E157 WeakPolarHBondContact CG-OE2 3.36Å; R154-E157 IonicContact CZ-OE1 3.64Å; R154-E157 PolarHBondContact N-OE2 2.85Å; R154-E157 IonicContact NE-OE1 2.99Å; R154-E157 PolarHBondContact NE-OE1 2.99Å; R154-E157 IonicContact NH2-OE1 3.28Å; R154-E157 PolarHBondContact NH2-OE1 2.99Å; R154-E157 WeakPolarHBondContact O-CA 3.43Å; R154-E157 WeakPolarHBondContact O-CB 3.41Å; R154-E157 PolarHBondContact O-N 2.96Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 2.99Å; E157-L161 WeakPolarHBondContact O-CB 3.23Å; E157-L161 PolarHBondContact O-N 2.77Å; E157-R199 WeakPolarHBondContact OE1-CD 3.21Å; E157-I200 HydrophobicContact CB-CD1 4.36Å; E157-I200 HydrophobicContact CB-CG1 3.91Å; E157-I200 HydrophobicContact CG-CG1 4.38Å; E157-I200 WeakPolarHBondContact O-CD1 3.11Å; E157-K203 WeakPolarHBondContact OE2-CE 3.36Å; E157-K203 IonicContact OE2-NZ 2.65Å; E157-K203 PolarHBondContact OE2-NZ 2.89Å
158	F	94	Very high	93.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-51.2	172.5	-179.4	-79.3	0	0	0	111.6	L137 I138 K142 V143 V144 R154 I155 L160 L161 W162	L137-F158 HydrophobicContact CB-CE2 4.19Å; L137-F158 HydrophobicContact CB-CZ 4.33Å; I138-F158 VanDerWaalsContact O-CZ 3.28Å; I138-F158 WeakPolarHBondContact O-CZ 3.25Å; K142-F158 VanDerWaalsContact C-CE2 3.46Å; K142-F158 HydrophobicContact CB-CD1 4.27Å; K142-F158 HydrophobicContact CB-CD2 4.3Å; K142-F158 HydrophobicContact CB-CG 4.15Å; K142-F158 HydrophobicContact CD-CD1 3.34Å; K142-F158 HydrophobicContact CD-CE1 3.4Å; K142-F158 HydrophobicContact CD-CG 4.06Å; K142-F158 HydrophobicContact CD-CZ 4.15Å; K142-F158 HydrophobicContact CG-CD1 4.43Å; K142-F158 VanDerWaalsContact O-CD2 3.25Å; K142-F158 WeakPolarHBondContact O-CD2 3.36Å; V143-F158 WeakPolarHBondContact O-CE2 3.39Å; V144-F158 HydrophobicContact CG2-CD2 3.61Å; V144-F158 HydrophobicContact CG2-CE2 4Å; R154-F158 PolarHBondContact O-N 3.47Å; I155-F158 WeakPolarHBondContact O-CB 3.5Å; I155-F158 PolarHBondContact O-N 2.92Å; F158-L160 VanDerWaalsContact C-N 3.29Å; F158-L160 PolarHBondContact O-N 3.44Å; F158-L161 PolarHBondContact O-N 2.91Å; F158-W162 HydrophobicContact CD1-CB 4.26Å; F158-W162 HydrophobicContact CE1-CB 3.87Å; F158-W162 HydrophobicContact CE1-CD2 4.28Å; F158-W162 HydrophobicContact CE1-CE3 4.18Å; F158-W162 HydrophobicContact CE1-CG 4.16Å; F158-W162 HydrophobicContact CZ-CB 4.43Å; F158-W162 HydrophobicContact CZ-CD2 4.39Å; F158-W162 AromaticContact CZ-CE3 3.83Å; F158-W162 HydrophobicContact CZ-CE3 3.83Å; F158-W162 VanDerWaalsContact O-CB 3.23Å; F158-W162 WeakPolarHBondContact O-CB 3.18Å; F158-W162 PolarHBondContact O-N 3.38Å
159	E	92.6	Very high	93.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-40.3	-177.1	-73.7	-178.6	156.5	0	0	111.5	Y122 I155 K156 Y163 V181	Y122-E159 HydrophobicContact CD2-CG 4.43Å; Y122-E159 HydrophobicContact CE2-CG 3.95Å; Y122-E159 VanDerWaalsContact CE2-OE1 3.28Å; Y122-E159 WeakPolarHBondContact CE2-OE1 3.47Å; I155-E159 HydrophobicContact CG2-CG 4.19Å; I155-E159 WeakPolarHBondContact O-CB 3.34Å; I155-E159 WeakPolarHBondContact O-CG 3.29Å; I155-E159 PolarHBondContact O-N 3.03Å; K156-E159 IonicContact NZ-OE2 3.36Å; K156-E159 PolarHBondContact NZ-OE2 3.28Å; E159-Y163 WeakPolarHBondContact O-CB 3.5Å; E159-Y163 PolarHBondContact O-N 3.33Å; E159-V181 HydrophobicContact CB-CG1 3.9Å
160	L	95.2	Very high	93.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-48.8	175.9	179.7	59.5	0	0	0	112.1	K156 F158 Y163 L164 L177 V181 W182 H196 I197 I200	K156-L160 WeakPolarHBondContact O-CB 3.27Å; K156-L160 PolarHBondContact O-N 3.45Å; F158-L160 VanDerWaalsContact C-N 3.29Å; F158-L160 PolarHBondContact O-N 3.44Å; L160-Y163 PolarHBondContact O-N 2.82Å; L160-L164 HydrophobicContact CD1-CD1 4.13Å; L160-L164 HydrophobicContact CG-CD1 4.27Å; L160-L164 PolarHBondContact O-N 2.77Å; L160-L164 VanDerWaalsContact O-N 3.11Å; L160-L177 HydrophobicContact CD1-CB 4.3Å; L160-L177 HydrophobicContact CD1-CD1 4.19Å; L160-L177 HydrophobicContact CD1-CD2 3.79Å; L160-L177 HydrophobicContact CD1-CG 4.31Å; L160-V181 HydrophobicContact CB-CG1 4.4Å; L160-V181 HydrophobicContact CD1-CG2 4.23Å; L160-W182 HydrophobicContact CD1-CZ3 4.41Å; L160-W182 HydrophobicContact CD2-CH2 4.15Å; L160-H196 HydrophobicContact CD2-CB 3.52Å; L160-I197 HydrophobicContact CD1-CD1 4.35Å; L160-I197 HydrophobicContact CD2-CD1 3.68Å; L160-I197 HydrophobicContact CD2-CG1 3.94Å; L160-I197 HydrophobicContact CG-CD1 4.09Å; L160-I200 HydrophobicContact CB-CD1 4.05Å; L160-I200 HydrophobicContact CD2-CD1 3.77Å; L160-I200 HydrophobicContact CG-CD1 3.97Å
161	L	97.5	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-44	178.1	-179.5	60.5	0	0	0	110.8	L137 V144 M153 E157 F158 Y163 L164 A165 I200 I214 F224	L137-L161 HydrophobicContact CD2-CB 4.48Å; L137-L161 HydrophobicContact CD2-CD2 4.12Å; L137-L161 HydrophobicContact CD2-CG 3.84Å; L137-L161 HydrophobicContact CG-CD2 4.39Å; V144-L161 HydrophobicContact CG1-CD2 4.45Å; V144-L161 HydrophobicContact CG2-CD2 4.32Å; M153-L161 HydrophobicContact CE-CD2 3.97Å; M153-L161 HydrophobicContact SD-CD2 3.99Å; E157-L161 WeakPolarHBondContact O-CB 3.23Å; E157-L161 PolarHBondContact O-N 2.77Å; F158-L161 PolarHBondContact O-N 2.91Å; L161-Y163 PolarHBondContact O-N 3.37Å; L161-L164 PolarHBondContact O-N 2.79Å; L161-A165 WeakPolarHBondContact O-CB 3.5Å; L161-A165 PolarHBondContact O-N 2.8Å; L161-I200 HydrophobicContact CB-CD1 4.2Å; L161-I200 HydrophobicContact CB-CG2 4.34Å; L161-I200 HydrophobicContact CD1-CG2 4.01Å; L161-I200 HydrophobicContact CD2-CG2 4.2Å; L161-I200 HydrophobicContact CG-CG2 4.38Å; L161-I214 HydrophobicContact CD1-CD1 4.06Å; L161-I214 HydrophobicContact CD1-CG1 4.43Å; L161-F224 HydrophobicContact CD1-CD2 4.07Å; L161-F224 HydrophobicContact CD1-CE2 4Å
162	W	95.6	Very high	93.9	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.011	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-45.7	175.4	179.9	-91.7	0	0	0	112.1	V127 L130 L137 N139 F158 L164 A165 S166	V127-W162 HydrophobicContact CG1-CH2 4.17Å; V127-W162 HydrophobicContact CG1-CZ2 4.4Å; V127-W162 WeakPolarHBondContact O-CH2 3.1Å; V127-W162 VanDerWaalsContact O-CZ2 3.3Å; V127-W162 WeakPolarHBondContact O-CZ2 3.39Å; L130-W162 HydrophobicContact CB-CZ3 4.19Å; L130-W162 HydrophobicContact CD1-CD2 4.19Å; L130-W162 HydrophobicContact CD1-CE3 3.9Å; L130-W162 HydrophobicContact CD1-CH2 4.04Å; L130-W162 HydrophobicContact CD1-CZ2 4.35Å; L130-W162 HydrophobicContact CD1-CZ3 3.82Å; L130-W162 HydrophobicContact CG-CE3 4.27Å; L130-W162 HydrophobicContact CG-CH2 3.7Å; L130-W162 HydrophobicContact CG-CZ2 4.36Å; L130-W162 HydrophobicContact CG-CZ3 3.67Å; L137-W162 HydrophobicContact CB-CE3 3.74Å; L137-W162 HydrophobicContact CB-CZ3 3.91Å; L137-W162 HydrophobicContact CD2-CB 4.27Å; L137-W162 HydrophobicContact CD2-CE3 3.98Å; N139-W162 HydrophobicContact CB-CD2 4.17Å; N139-W162 HydrophobicContact CB-CE3 4.03Å; N139-W162 HydrophobicContact CB-CH2 3.48Å; N139-W162 VanDerWaalsContact CB-CH2 3.48Å; N139-W162 HydrophobicContact CB-CZ2 3.59Å; N139-W162 HydrophobicContact CB-CZ3 3.69Å; F158-W162 HydrophobicContact CD1-CB 4.26Å; F158-W162 HydrophobicContact CE1-CB 3.87Å; F158-W162 HydrophobicContact CE1-CD2 4.28Å; F158-W162 HydrophobicContact CE1-CE3 4.18Å; F158-W162 HydrophobicContact CE1-CG 4.16Å; F158-W162 HydrophobicContact CZ-CB 4.43Å; F158-W162 HydrophobicContact CZ-CD2 4.39Å; F158-W162 AromaticContact CZ-CE3 3.83Å; F158-W162 HydrophobicContact CZ-CE3 3.83Å; F158-W162 VanDerWaalsContact O-CB 3.23Å; F158-W162 WeakPolarHBondContact O-CB 3.18Å; F158-W162 PolarHBondContact O-N 3.38Å; W162-L164 VanDerWaalsContact C-N 3.34Å; W162-L164 PolarHBondContact O-N 3.28Å; W162-A165 PolarHBondContact O-N 2.97Å; W162-S166 VanDerWaalsContact O-CB 3.29Å; W162-S166 WeakPolarHBondContact O-CB 3.43Å; W162-S166 PolarHBondContact O-N 3.36Å; W162-S166 PolarHBondContact O-OG 3Å
163	Y	95.8	Very high	94.2	Very high	17 Å²	17	27.9 Å²	27.9	7%	0.067	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-42	-179.2	-168.9	-89.2	0	0	0	112.1	E159 L160 L161 S166 R167 I172 E176 L177 K180 V181	E159-Y163 WeakPolarHBondContact O-CB 3.5Å; E159-Y163 PolarHBondContact O-N 3.33Å; L160-Y163 PolarHBondContact O-N 2.82Å; L161-Y163 PolarHBondContact O-N 3.37Å; Y163-S166 PolarHBondContact O-OG 2.77Å; Y163-R167 VanDerWaalsContact CE2-NH1 3.29Å; Y163-R167 PolarHBondContact O-NH1 3.22Å; Y163-R167 PolarHBondContact OH-NH2 3.05Å; Y163-I172 HydrophobicContact CD1-CG2 4.33Å; Y163-I172 HydrophobicContact CE1-CG1 4.49Å; Y163-I172 HydrophobicContact CE1-CG2 3.78Å; Y163-E176 PolarHBondContact OH-OE1 3.07Å; Y163-L177 HydrophobicContact CD1-CD2 3.67Å; Y163-L177 HydrophobicContact CE1-CD2 4.2Å; Y163-K180 HydrophobicContact CD2-CB 4.08Å; Y163-K180 HydrophobicContact CE1-CB 4.43Å; Y163-K180 HydrophobicContact CE2-CB 3.55Å; Y163-K180 HydrophobicContact CE2-CG 3.88Å; Y163-V181 HydrophobicContact CG-CG2 4.39Å
164	L	97.9	Very high	94.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-71.9	-46	176.9	-72.6	167.9	0	0	0	112	L160 L161 W162 S166 R167 I172 L177 I197 I214 F224	L160-L164 HydrophobicContact CD1-CD1 4.13Å; L160-L164 HydrophobicContact CG-CD1 4.27Å; L160-L164 PolarHBondContact O-N 2.77Å; L160-L164 VanDerWaalsContact O-N 3.11Å; L161-L164 PolarHBondContact O-N 2.79Å; W162-L164 VanDerWaalsContact C-N 3.34Å; W162-L164 PolarHBondContact O-N 3.28Å; L164-S166 PolarHBondContact O-N 3.33Å; L164-R167 CarbonylContact O-C 3.56Å; L164-R167 VanDerWaalsContact O-C 3.25Å; L164-R167 WeakPolarHBondContact O-CA 3.34Å; L164-R167 PolarHBondContact O-N 2.97Å; L164-I172 HydrophobicContact CD2-CB 4Å; L164-I172 HydrophobicContact CD2-CG1 3.9Å; L164-L177 HydrophobicContact CD2-CD1 4.34Å; L164-L177 HydrophobicContact CD2-CD2 3.86Å; L164-L177 HydrophobicContact CG-CD2 4.03Å; L164-I197 HydrophobicContact CD1-CD1 3.62Å; L164-I214 HydrophobicContact CD1-CD1 3.95Å; L164-I214 HydrophobicContact CD1-CG1 4.27Å; L164-I214 HydrophobicContact CD1-CG2 3.95Å; L164-F224 HydrophobicContact CB-CB 3.96Å
165	A	96.7	Very high	94.2	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-68.7	-34.2	-176	0	0	0	0	0	112.5	L130 F132 L137 L161 W162 R167 E168 F224	L130-A165 HydrophobicContact CD1-CB 4.06Å; F132-A165 HydrophobicContact CE2-CB 3.68Å; F132-A165 HydrophobicContact CZ-CB 4Å; F132-A165 VanDerWaalsContact CZ-O 3.3Å; F132-A165 WeakPolarHBondContact CZ-O 3.4Å; L137-A165 HydrophobicContact CD2-CB 4.18Å; L161-A165 WeakPolarHBondContact O-CB 3.5Å; L161-A165 PolarHBondContact O-N 2.8Å; W162-A165 PolarHBondContact O-N 2.97Å; A165-R167 PolarHBondContact O-N 2.94Å; A165-R167 VanDerWaalsContact O-N 3.09Å; A165-E168 PolarHBondContact O-N 3.09Å; A165-F224 HydrophobicContact CB-CD1 3.92Å; A165-F224 HydrophobicContact CB-CD2 4.48Å; A165-F224 HydrophobicContact CB-CE1 4Å; A165-F224 HydrophobicContact CB-CG 4.17Å; A165-F224 HydrophobicContact CB-CZ 4.32Å
166	S	94.7	Very high	94.4	Very high	49 Å²	49	35.1 Å²	35.1	34%	0.343	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.2	172.1	55	0	0	0	0	113.9	W162 Y163 L164	W162-S166 VanDerWaalsContact O-CB 3.29Å; W162-S166 WeakPolarHBondContact O-CB 3.43Å; W162-S166 PolarHBondContact O-N 3.36Å; W162-S166 PolarHBondContact O-OG 3Å; Y163-S166 PolarHBondContact O-OG 2.77Å; L164-S166 PolarHBondContact O-N 3.33Å
167	R	95.5	Very high	94.6	Very high	73 Å²	73	34.9 Å²	34.9	28%	0.275	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	47.3	179.7	-65.4	173.6	-176.6	67.3	5.7	110.2	Y163 L164 A165 N169 E170 I172	Y163-R167 VanDerWaalsContact CE2-NH1 3.29Å; Y163-R167 PolarHBondContact O-NH1 3.22Å; Y163-R167 PolarHBondContact OH-NH2 3.05Å; L164-R167 CarbonylContact O-C 3.56Å; L164-R167 VanDerWaalsContact O-C 3.25Å; L164-R167 WeakPolarHBondContact O-CA 3.34Å; L164-R167 PolarHBondContact O-N 2.97Å; A165-R167 PolarHBondContact O-N 2.94Å; A165-R167 VanDerWaalsContact O-N 3.09Å; R167-N169 PolarHBondContact O-N 3.06Å; R167-E170 HydrophobicContact CB-CB 4.06Å; R167-E170 HydrophobicContact CB-CG 4.2Å; R167-E170 WeakPolarHBondContact O-CB 3.42Å; R167-E170 PolarHBondContact O-N 3.48Å; R167-I172 HydrophobicContact CB-CD1 4.3Å
168	E	95	Very high	94.4	Very high	69 Å²	69	35.2 Å²	35.2	32%	0.322	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	135	179.9	-165	-161.8	157.6	0	0	110.9	F132 A165 E170 Y212 F224	F132-E168 HydrophobicContact CE1-CB 4.31Å; F132-E168 HydrophobicContact CE1-CG 4.21Å; A165-E168 PolarHBondContact O-N 3.09Å; E168-E170 PolarHBondContact O-N 3.11Å; E168-Y212 HydrophobicContact CG-CE1 4.21Å; E168-Y212 VanDerWaalsContact OE1-CE1 3.29Å; E168-Y212 WeakPolarHBondContact OE1-CE1 3.42Å; E168-Y212 PolarHBondContact OE1-OH 2.75Å; E168-F224 HydrophobicContact CG-CD1 4.22Å
169	N	95.8	Very high	93.9	Very high	92 Å²	92	37.4 Å²	37.4	49%	0.492	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	-2.5	-177.9	-54.5	-63.9	0	0	0	116.3	R167 K223 F224	R167-N169 PolarHBondContact O-N 3.06Å; N169-K223 VanDerWaalsContact O-CD 3.25Å; N169-K223 WeakPolarHBondContact O-CD 3.29Å; N169-F224 PolarHBondContact N-O 3.03Å
170	E	97.6	Very high	93.7	Very high	107 Å²	107	41.5 Å²	41.5	50%	0.5	21%	0.214	S	C	.	.			trans	-85.5	139.5	172.5	-58.9	-177.5	-167.1	0	0	111.5	R167 E168 I172 K223	R167-E170 HydrophobicContact CB-CB 4.06Å; R167-E170 HydrophobicContact CB-CG 4.2Å; R167-E170 WeakPolarHBondContact O-CB 3.42Å; R167-E170 PolarHBondContact O-N 3.48Å; E168-E170 PolarHBondContact O-N 3.11Å; E170-I172 HydrophobicContact CB-CD1 3.95Å; E170-K223 WeakPolarHBondContact O-CG 3.44Å
171	V	97.5	Very high	93.4	Very high	64 Å²	64	41.6 Å²	41.6	39%	0.388	21%	0.214	S	C	.	.			trans	-88.4	113.5	173.7	-174.7	0	0	0	0	108.7	V217 L220 K223	V171-V217 HydrophobicContact CG1-CB 3.91Å; V171-V217 HydrophobicContact CG1-CG1 4.15Å; V171-V217 HydrophobicContact CG1-CG2 4.05Å; V171-V217 HydrophobicContact CG2-CG1 4.38Å; V171-V217 HydrophobicContact CG2-CG2 4.03Å; V171-L220 HydrophobicContact CG1-CB 3.65Å; V171-K223 HydrophobicContact CG2-CB 4.38Å; V171-K223 HydrophobicContact CG2-CD 4.06Å
172	I	97	Very high	92.7	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-101.8	127.9	-179.9	-48.4	-55	0	0	0	109.8	Y163 L164 R167 E170 E176 L177 G221 Y222	Y163-I172 HydrophobicContact CD1-CG2 4.33Å; Y163-I172 HydrophobicContact CE1-CG1 4.49Å; Y163-I172 HydrophobicContact CE1-CG2 3.78Å; L164-I172 HydrophobicContact CD2-CB 4Å; L164-I172 HydrophobicContact CD2-CG1 3.9Å; R167-I172 HydrophobicContact CB-CD1 4.3Å; E170-I172 HydrophobicContact CB-CD1 3.95Å; I172-E176 HydrophobicContact CG2-CB 4.06Å; I172-E176 HydrophobicContact CG2-CG 4Å; I172-L177 HydrophobicContact CB-CD2 4.08Å; I172-L177 HydrophobicContact CB-CG 4.27Å; I172-L177 HydrophobicContact CG2-CD2 3.53Å; I172-L177 HydrophobicContact CG2-CG 3.67Å; I172-G221 WeakPolarHBondContact O-CA 3.06Å; I172-Y222 PolarHBondContact N-O 3.43Å; I172-Y222 PolarHBondContact O-N 3.02Å
173	S	93.8	Very high	91.8	Very high	37 Å²	37	42.2 Å²	42.2	26%	0.259	22%	0.218	S	C	.	.			trans	-69.4	151.7	-179.7	72.5	0	0	0	0	112.6	S175 E176 L177 L220	S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.91Å; S173-S175 PolarHBondContact OG-OG 3.22Å; S173-S175 VanDerWaalsContact OG-OG 3.07Å; S173-E176 PolarHBondContact O-N 3.5Å; S173-E176 VanDerWaalsContact OG-CB 3.23Å; S173-E176 WeakPolarHBondContact OG-CB 3.4Å; S173-E176 PolarHBondContact OG-N 3.27Å; S173-E176 VanDerWaalsContact OG-N 3.14Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.28Å; S173-L220 VanDerWaalsContact CA-O 3.31Å; S173-L220 WeakPolarHBondContact CA-O 3.34Å
174	K	91	Very high	90.3	Very high	75 Å²	75	48 Å²	48	33%	0.326	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-39.2	176.2	-63.8	-168.7	-172.8	-172.7	0	112.2	E176 L177 L178 A190 N194 Y222	K174-E176 VanDerWaalsContact C-N 3.33Å; K174-L177 PolarHBondContact O-N 3.2Å; K174-L178 VanDerWaalsContact O-CB 3.26Å; K174-L178 WeakPolarHBondContact O-CB 3.35Å; K174-L178 PolarHBondContact O-N 3.43Å; K174-A190 HydrophobicContact CB-CB 4.39Å; K174-A190 HydrophobicContact CD-CB 4.27Å; K174-N194 VanDerWaalsContact CE-OD1 3.28Å; K174-N194 WeakPolarHBondContact CE-OD1 3.2Å; K174-N194 PolarHBondContact NZ-ND2 3.37Å; K174-N194 PolarHBondContact NZ-OD1 3.45Å; K174-Y222 HydrophobicContact CD-CE2 4.25Å; K174-Y222 HydrophobicContact CG-CD2 4.36Å; K174-Y222 HydrophobicContact CG-CE2 3.97Å
175	S	87.6	Confident	88.5	Confident	79 Å²	79	53 Å²	53	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-61.8	-40.9	176.5	42.7	0	0	0	0	112	S173 L178 E179	S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.91Å; S173-S175 PolarHBondContact OG-OG 3.22Å; S173-S175 VanDerWaalsContact OG-OG 3.07Å; S175-L178 PolarHBondContact O-N 3.22Å; S175-E179 WeakPolarHBondContact O-CB 3.36Å; S175-E179 PolarHBondContact O-N 2.64Å
176	E	90.9	Very high	86.7	Confident	57 Å²	57	53.2 Å²	53.2	27%	0.266	27%	0.268	S	S	.	.	H	α-helix	trans	-68.7	-44.8	176.2	-176.7	-175.3	156.7	0	0	111.7	Y163 I172 S173 K174 L178 E179 K180	Y163-E176 PolarHBondContact OH-OE1 3.07Å; I172-E176 HydrophobicContact CG2-CB 4.06Å; I172-E176 HydrophobicContact CG2-CG 4Å; S173-E176 PolarHBondContact O-N 3.5Å; S173-E176 VanDerWaalsContact OG-CB 3.23Å; S173-E176 WeakPolarHBondContact OG-CB 3.4Å; S173-E176 PolarHBondContact OG-N 3.27Å; S173-E176 VanDerWaalsContact OG-N 3.14Å; K174-E176 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.11Å; E176-E179 PolarHBondContact O-N 2.94Å; E176-K180 HydrophobicContact CG-CG 3.93Å; E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.31Å; E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.45Å; E176-K180 PolarHBondContact O-N 3.05Å
177	L	92.3	Very high	84.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.5	-43	175.8	-67.3	172.2	0	0	0	111	L160 Y163 L164 I172 S173 K174 K180 V181 V193 Y222	L160-L177 HydrophobicContact CD1-CB 4.3Å; L160-L177 HydrophobicContact CD1-CD1 4.19Å; L160-L177 HydrophobicContact CD1-CD2 3.79Å; L160-L177 HydrophobicContact CD1-CG 4.31Å; Y163-L177 HydrophobicContact CD1-CD2 3.67Å; Y163-L177 HydrophobicContact CE1-CD2 4.2Å; L164-L177 HydrophobicContact CD2-CD1 4.34Å; L164-L177 HydrophobicContact CD2-CD2 3.86Å; L164-L177 HydrophobicContact CG-CD2 4.03Å; I172-L177 HydrophobicContact CB-CD2 4.08Å; I172-L177 HydrophobicContact CB-CG 4.27Å; I172-L177 HydrophobicContact CG2-CD2 3.53Å; I172-L177 HydrophobicContact CG2-CG 3.67Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.28Å; K174-L177 PolarHBondContact O-N 3.2Å; L177-K180 PolarHBondContact O-N 3.2Å; L177-V181 WeakPolarHBondContact O-CB 3.45Å; L177-V181 WeakPolarHBondContact O-CG2 3.4Å; L177-V181 PolarHBondContact O-N 2.75Å; L177-V193 HydrophobicContact CB-CG1 4.17Å; L177-V193 HydrophobicContact CB-CG2 4.32Å; L177-V193 HydrophobicContact CD1-CG1 3.7Å; L177-Y222 HydrophobicContact CD1-CD2 3.73Å; L177-Y222 HydrophobicContact CD1-CG 4.42Å
178	L	87.8	Confident	82.8	Confident	10 Å²	10	62.6 Å²	62.6	5%	0.052	30%	0.303	C	S	.	.	I	π-helix	trans	-61.1	-51	177	-165.9	63.7	0	0	0	111.4	K174 S175 E176 K180 W182 G183 Y186 T192 V193	K174-L178 VanDerWaalsContact O-CB 3.26Å; K174-L178 WeakPolarHBondContact O-CB 3.35Å; K174-L178 PolarHBondContact O-N 3.43Å; S175-L178 PolarHBondContact O-N 3.22Å; E176-L178 PolarHBondContact O-N 3.11Å; L178-K180 PolarHBondContact O-N 2.82Å; L178-W182 HydrophobicContact CD1-CB 4.23Å; L178-W182 HydrophobicContact CD1-CD2 4.23Å; L178-W182 HydrophobicContact CD1-CE3 4.12Å; L178-W182 HydrophobicContact CD1-CG 4.29Å; L178-W182 CarbonylContact O-C 3.52Å; L178-W182 WeakPolarHBondContact O-CA 3.49Å; L178-W182 VanDerWaalsContact O-CB 3.28Å; L178-W182 WeakPolarHBondContact O-CB 3.34Å; L178-W182 PolarHBondContact O-N 2.92Å; L178-G183 PolarHBondContact O-N 3.32Å; L178-Y186 HydrophobicContact CD1-CD1 3.67Å; L178-Y186 HydrophobicContact CD1-CE1 4.48Å; L178-Y186 HydrophobicContact CD1-CG 4.13Å; L178-Y186 WeakPolarHBondContact CD2-O 3.28Å; L178-Y186 HydrophobicContact CG-CD1 4.36Å; L178-Y186 HydrophobicContact CG-CG 4.46Å; L178-T192 HydrophobicContact CD1-CG2 3.58Å; L178-V193 HydrophobicContact CB-CG2 4.41Å; L178-V193 HydrophobicContact CD1-CG2 4.26Å
179	E	85	Confident	81.2	Confident	45 Å²	45	60.6 Å²	60.6	21%	0.21	30%	0.295	C	S	.	.	I	π-helix	trans	-60	-45.6	177.8	-175.7	-167.3	136.5	0	0	112.6	S175 E176 G183 Y184	S175-E179 WeakPolarHBondContact O-CB 3.36Å; S175-E179 PolarHBondContact O-N 2.64Å; E176-E179 PolarHBondContact O-N 2.94Å; E179-G183 CarbonylContact O-C 3.25Å; E179-G183 WeakPolarHBondContact O-CA 3.45Å; E179-G183 PolarHBondContact O-N 2.97Å; E179-Y184 HydrophobicContact CG-CD1 3.74Å; E179-Y184 HydrophobicContact CG-CE1 3.43Å; E179-Y184 VanDerWaalsContact CG-CE1 3.43Å; E179-Y184 HydrophobicContact CG-CE2 4.31Å; E179-Y184 HydrophobicContact CG-CG 4.28Å; E179-Y184 VanDerWaalsContact OE1-CE1 3.3Å; E179-Y184 WeakPolarHBondContact OE1-CE1 3.38Å; E179-Y184 PolarHBondContact OE1-OH 3.31Å
180	K	87.5	Confident	79.8	Confident	88 Å²	88	58.1 Å²	58.1	38%	0.383	29%	0.287	S	S	.	.	I	π-helix	trans	-84.5	-31.7	-169.6	-62.8	-60.4	-171.5	-148.3	0	113.4	Y163 E176 L177 L178	Y163-K180 HydrophobicContact CD2-CB 4.08Å; Y163-K180 HydrophobicContact CE1-CB 4.43Å; Y163-K180 HydrophobicContact CE2-CB 3.55Å; Y163-K180 HydrophobicContact CE2-CG 3.88Å; E176-K180 HydrophobicContact CG-CG 3.93Å; E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.31Å; E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.45Å; E176-K180 PolarHBondContact O-N 3.05Å; L177-K180 PolarHBondContact O-N 3.2Å; L178-K180 PolarHBondContact O-N 2.82Å
181	V	88.1	Confident	78.8	Confident	1 Å²	1	56 Å²	56	1%	0.006	28%	0.279	C	S	.	.	I	π-helix	trans	-94.9	-44.3	-179.9	-179.5	0	0	0	0	110.9	R118 K156 E159 L160 Y163 L177	R118-V181 PolarHBondContact NH1-O 3.4Å; R118-V181 VanDerWaalsContact NH1-O 3.16Å; K156-V181 HydrophobicContact CD-CG1 4.07Å; K156-V181 PolarHBondContact NZ-O 3.5Å; E159-V181 HydrophobicContact CB-CG1 3.9Å; L160-V181 HydrophobicContact CB-CG1 4.4Å; L160-V181 HydrophobicContact CD1-CG2 4.23Å; Y163-V181 HydrophobicContact CG-CG2 4.39Å; L177-V181 WeakPolarHBondContact O-CB 3.45Å; L177-V181 WeakPolarHBondContact O-CG2 3.4Å; L177-V181 PolarHBondContact O-N 2.75Å
182	W	84.2	Confident	78	Confident	11 Å²	11	53 Å²	53	4%	0.042	26%	0.261	C	S	.	.	I	π-helix	trans	-94.8	-38.3	-179.8	-72.5	-95.8	0	0	0	113.2	R118 L160 L178 Y186 T192 V193 H196	R118-W182 PolarHBondContact NH1-O 2.98Å; R118-W182 PolarHBondContact NH2-O 2.88Å; L160-W182 HydrophobicContact CD1-CZ3 4.41Å; L160-W182 HydrophobicContact CD2-CH2 4.15Å; L178-W182 HydrophobicContact CD1-CB 4.23Å; L178-W182 HydrophobicContact CD1-CD2 4.23Å; L178-W182 HydrophobicContact CD1-CE3 4.12Å; L178-W182 HydrophobicContact CD1-CG 4.29Å; L178-W182 CarbonylContact O-C 3.52Å; L178-W182 WeakPolarHBondContact O-CA 3.49Å; L178-W182 VanDerWaalsContact O-CB 3.28Å; L178-W182 WeakPolarHBondContact O-CB 3.34Å; L178-W182 PolarHBondContact O-N 2.92Å; W182-Y186 HydrophobicContact CB-CD1 4.28Å; W182-Y186 HydrophobicContact CB-CD2 3.65Å; W182-Y186 HydrophobicContact CB-CE2 3.97Å; W182-Y186 HydrophobicContact CB-CG 3.82Å; W182-Y186 AromaticContact CD1-CE2 3.95Å; W182-Y186 AromaticContact CD1-CZ 3.78Å; W182-Y186 HydrophobicContact CG-CD2 4.42Å; W182-Y186 HydrophobicContact CG-CE1 4.42Å; W182-Y186 HydrophobicContact CG-CE2 4.33Å; W182-T192 HydrophobicContact CD2-CG2 4.06Å; W182-T192 HydrophobicContact CE3-CG2 4.44Å; W182-T192 HydrophobicContact CH2-CG2 4.34Å; W182-T192 HydrophobicContact CZ2-CG2 3.96Å; W182-V193 HydrophobicContact CE3-CG2 4.37Å; W182-V193 HydrophobicContact CH2-CG2 4.22Å; W182-V193 HydrophobicContact CZ3-CG2 3.77Å; W182-H196 HydrophobicContact CH2-CB 4.2Å; W182-H196 HydrophobicContact CZ2-CB 4.36Å; W182-H196 AromaticContact CZ2-CE1 3.69Å; W182-H196 AromaticContact CZ2-CG 3.73Å; W182-H196 AromaticContact CZ2-ND1 3.5Å; W182-H196 WeakPolarHBondContact CZ2-ND1 3.4Å
183	G	76.3	Confident	77.6	Confident	5 Å²	5	52.8 Å²	52.8	5%	0.052	26%	0.26	C	S	.	.			trans	119.7	174.8	179	0	0	0	0	0	113	L178 E179 D185	L178-G183 PolarHBondContact O-N 3.32Å; E179-G183 CarbonylContact O-C 3.25Å; E179-G183 WeakPolarHBondContact O-CA 3.45Å; E179-G183 PolarHBondContact O-N 2.97Å; G183-D185 VanDerWaalsContact C-N 3.29Å; G183-D185 PolarHBondContact O-N 3.41Å
184	Y	63.7	Low	77.4	Confident	138 Å²	138	53 Å²	53	54%	0.541	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-68.1	-23.1	-178.1	-73.7	-76.6	0	0	0	114.3	E179 Y186 Y187	E179-Y184 HydrophobicContact CG-CD1 3.74Å; E179-Y184 HydrophobicContact CG-CE1 3.43Å; E179-Y184 VanDerWaalsContact CG-CE1 3.43Å; E179-Y184 HydrophobicContact CG-CE2 4.31Å; E179-Y184 HydrophobicContact CG-CG 4.28Å; E179-Y184 VanDerWaalsContact OE1-CE1 3.3Å; E179-Y184 WeakPolarHBondContact OE1-CE1 3.38Å; E179-Y184 PolarHBondContact OE1-OH 3.31Å; Y184-Y186 PolarHBondContact O-N 3.21Å; Y184-Y187 HydrophobicContact CD1-CE2 4.42Å; Y184-Y187 WeakPolarHBondContact O-CD2 3.37Å
185	D	61	Low	77.2	Confident	106 Å²	106	50.3 Å²	50.3	57%	0.567	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-76.7	15.2	-173.7	-55.9	-43.7	0	0	0	114.1	G183	G183-D185 VanDerWaalsContact C-N 3.29Å; G183-D185 PolarHBondContact O-N 3.41Å
186	Y	59.1	Low	77.3	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.027	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-119.1	6.2	-162	-115.5	-82.7	0	0	0	115.5	D97 Y98 L178 W182 Y184 E188 T192	D97-Y186 VanDerWaalsContact C-OH 3.22Å; D97-Y186 WeakPolarHBondContact CA-OH 3.11Å; D97-Y186 WeakPolarHBondContact OD1-CE2 3.46Å; D97-Y186 PolarHBondContact OD1-OH 3.16Å; D97-Y186 VanDerWaalsContact OD1-OH 3.05Å; Y98-Y186 AromaticContact CD1-CE1 3.88Å; Y98-Y186 HydrophobicContact CD1-CE1 3.88Å; Y98-Y186 AromaticContact CD1-CZ 4Å; Y98-Y186 VanDerWaalsContact CD1-OH 3.3Å; Y98-Y186 WeakPolarHBondContact CD1-OH 3.33Å; Y98-Y186 HydrophobicContact CE1-CD1 4.12Å; Y98-Y186 AromaticContact CE1-CE1 3.27Å; Y98-Y186 HydrophobicContact CE1-CE1 3.27Å; Y98-Y186 AromaticContact CE1-CZ 3.85Å; Y98-Y186 AromaticContact CZ-CE1 3.81Å; Y98-Y186 PolarHBondContact N-OH 3.39Å; L178-Y186 HydrophobicContact CD1-CD1 3.67Å; L178-Y186 HydrophobicContact CD1-CE1 4.48Å; L178-Y186 HydrophobicContact CD1-CG 4.13Å; L178-Y186 WeakPolarHBondContact CD2-O 3.28Å; L178-Y186 HydrophobicContact CG-CD1 4.36Å; L178-Y186 HydrophobicContact CG-CG 4.46Å; W182-Y186 HydrophobicContact CB-CD1 4.28Å; W182-Y186 HydrophobicContact CB-CD2 3.65Å; W182-Y186 HydrophobicContact CB-CE2 3.97Å; W182-Y186 HydrophobicContact CB-CG 3.82Å; W182-Y186 AromaticContact CD1-CE2 3.95Å; W182-Y186 AromaticContact CD1-CZ 3.78Å; W182-Y186 HydrophobicContact CG-CD2 4.42Å; W182-Y186 HydrophobicContact CG-CE1 4.42Å; W182-Y186 HydrophobicContact CG-CE2 4.33Å; Y184-Y186 PolarHBondContact O-N 3.21Å; Y186-E188 PolarHBondContact O-N 2.94Å; Y186-T192 HydrophobicContact CE1-CG2 4.45Å
187	Y	53.2	Low	77.5	Confident	176 Å²	176	43.8 Å²	43.8	69%	0.69	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-16	-169.1	-90.4	-84.1	0	0	0	117.2	Y184	Y184-Y187 HydrophobicContact CD1-CE2 4.42Å; Y184-Y187 WeakPolarHBondContact O-CD2 3.37Å
188	E	54.5	Low	77.5	Confident	144 Å²	144	48.7 Å²	48.7	67%	0.673	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-15.4	-169.1	-67.2	-172.9	165.8	0	0	116.1	K100 Y186	K100-E188 IonicContact NZ-OE2 3.47Å; K100-E188 PolarHBondContact NZ-OE2 3.1Å; Y186-E188 PolarHBondContact O-N 2.94Å
189	D	61.6	Low	77.7	Confident	26 Å²	26	49.9 Å²	49.9	14%	0.139	24%	0.235	C	C	.	.			trans	-145.5	88.5	-173.9	-135.5	-37.9	0	0	0	117.3	L91 Y98 N191	L91-D189 HydrophobicContact CD1-CB 3.88Å; L91-D189 VanDerWaalsContact CD1-OD1 3.31Å; L91-D189 WeakPolarHBondContact CD1-OD1 3.35Å; L91-D189 WeakPolarHBondContact CD1-OD2 3.28Å; L91-D189 HydrophobicContact CD2-CB 4.45Å; Y98-D189 VanDerWaalsContact OH-CB 3.27Å; Y98-D189 WeakPolarHBondContact OH-CB 3.48Å; D189-N191 PolarHBondContact O-N 2.81Å; D189-N191 PolarHBondContact OD1-ND2 2.84Å; D189-N191 VanDerWaalsContact OD1-ND2 3.09Å
190	A	67	Low	78.2	Confident	41 Å²	41	47.7 Å²	47.7	34%	0.339	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-5.4	177.5	0	0	0	0	0	114.6	K174 V193	K174-A190 HydrophobicContact CB-CB 4.39Å; K174-A190 HydrophobicContact CD-CB 4.27Å; A190-V193 PolarHBondContact O-N 2.77Å
191	N	75.6	Confident	78.6	Confident	61 Å²	61	46.2 Å²	46.2	33%	0.326	22%	0.217	S	C	.	.	H	α-helix	trans	-70	-28.7	179.7	-74.6	-43	0	0	0	113.4	L91 D189 V193 N194 V195	L91-N191 HydrophobicContact CB-CB 4.19Å; L91-N191 HydrophobicContact CD1-CB 3.87Å; D189-N191 PolarHBondContact O-N 2.81Å; D189-N191 PolarHBondContact OD1-ND2 2.84Å; D189-N191 VanDerWaalsContact OD1-ND2 3.09Å; N191-V193 PolarHBondContact O-N 3.12Å; N191-N194 WeakPolarHBondContact O-CB 3.3Å; N191-N194 PolarHBondContact O-N 3.02Å; N191-N194 VanDerWaalsContact O-N 3.11Å; N191-N194 PolarHBondContact OD1-ND2 3.39Å; N191-V195 WeakPolarHBondContact O-CG2 3.36Å; N191-V195 PolarHBondContact O-N 3Å
192	T	81.5	Confident	78.8	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-56.3	-41.8	177	-170.8	0	0	0	0	111	L178 W182 Y186 N194 V195 H196	L178-T192 HydrophobicContact CD1-CG2 3.58Å; W182-T192 HydrophobicContact CD2-CG2 4.06Å; W182-T192 HydrophobicContact CE3-CG2 4.44Å; W182-T192 HydrophobicContact CH2-CG2 4.34Å; W182-T192 HydrophobicContact CZ2-CG2 3.96Å; Y186-T192 HydrophobicContact CE1-CG2 4.45Å; T192-N194 PolarHBondContact O-N 3.45Å; T192-V195 PolarHBondContact O-N 3.49Å; T192-H196 PolarHBondContact O-N 3.36Å; T192-H196 PolarHBondContact O-ND1 3.46Å; T192-H196 PolarHBondContact OG1-CE1 2.98Å; T192-H196 VanDerWaalsContact OG1-CE1 3.3Å; T192-H196 PolarHBondContact OG1-ND1 3.21Å
193	V	88.4	Confident	79.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-50.5	178.2	-177.6	0	0	0	0	109.8	L177 L178 W182 A190 N191 V195 H196 I197 Y222	L177-V193 HydrophobicContact CB-CG1 4.17Å; L177-V193 HydrophobicContact CB-CG2 4.32Å; L177-V193 HydrophobicContact CD1-CG1 3.7Å; L178-V193 HydrophobicContact CB-CG2 4.41Å; L178-V193 HydrophobicContact CD1-CG2 4.26Å; W182-V193 HydrophobicContact CE3-CG2 4.37Å; W182-V193 HydrophobicContact CH2-CG2 4.22Å; W182-V193 HydrophobicContact CZ3-CG2 3.77Å; A190-V193 PolarHBondContact O-N 2.77Å; N191-V193 PolarHBondContact O-N 3.12Å; V193-V195 PolarHBondContact O-N 2.88Å; V193-H196 PolarHBondContact O-N 2.93Å; V193-I197 HydrophobicContact CG1-CG1 4.13Å; V193-I197 WeakPolarHBondContact O-CG1 3.37Å; V193-I197 PolarHBondContact O-N 3.48Å; V193-Y222 HydrophobicContact CG1-CD2 4Å; V193-Y222 HydrophobicContact CG1-CE2 3.75Å
194	N	88.8	Confident	80.2	Confident	41 Å²	41	53 Å²	53	22%	0.219	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-41.5	-177.3	-55	-18.3	0	0	0	112	K174 N191 T192 I197 H198 Y222	K174-N194 VanDerWaalsContact CE-OD1 3.28Å; K174-N194 WeakPolarHBondContact CE-OD1 3.2Å; K174-N194 PolarHBondContact NZ-ND2 3.37Å; K174-N194 PolarHBondContact NZ-OD1 3.45Å; N191-N194 WeakPolarHBondContact O-CB 3.3Å; N191-N194 PolarHBondContact O-N 3.02Å; N191-N194 VanDerWaalsContact O-N 3.11Å; N191-N194 PolarHBondContact OD1-ND2 3.39Å; T192-N194 PolarHBondContact O-N 3.45Å; N194-I197 PolarHBondContact O-N 2.9Å; N194-H198 WeakPolarHBondContact O-CB 3.49Å; N194-H198 PolarHBondContact O-N 2.73Å; N194-Y222 PolarHBondContact OD1-OH 3.33Å
195	V	86.3	Confident	81.6	Confident	19 Å²	19	52 Å²	52	12%	0.115	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-43.7	-177.5	174.1	0	0	0	0	110.9	L91 T92 N191 T192 V193 H198 R199	L91-V195 WeakPolarHBondContact O-CB 3.45Å; L91-V195 VanDerWaalsContact O-CG1 3.29Å; L91-V195 WeakPolarHBondContact O-CG1 3.41Å; L91-V195 WeakPolarHBondContact O-CG2 3.46Å; T92-V195 HydrophobicContact CG2-CG2 4.21Å; T92-V195 VanDerWaalsContact O-CG1 3.27Å; T92-V195 WeakPolarHBondContact O-CG1 3.27Å; N191-V195 WeakPolarHBondContact O-CG2 3.36Å; N191-V195 PolarHBondContact O-N 3Å; T192-V195 PolarHBondContact O-N 3.49Å; V193-V195 PolarHBondContact O-N 2.88Å; V195-H198 PolarHBondContact O-N 2.85Å; V195-R199 WeakPolarHBondContact O-CG 3.38Å; V195-R199 PolarHBondContact O-N 3.03Å
196	H	91.4	Very high	83.1	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-40.8	176.3	-71.9	79.5	0	0	0	111.2	R154 L160 W182 T192 V193 H198 R199 I200	R154-H196 PolarHBondContact NH2-NE2 3.35Å; L160-H196 HydrophobicContact CD2-CB 3.52Å; W182-H196 HydrophobicContact CH2-CB 4.2Å; W182-H196 HydrophobicContact CZ2-CB 4.36Å; W182-H196 AromaticContact CZ2-CE1 3.69Å; W182-H196 AromaticContact CZ2-CG 3.73Å; W182-H196 AromaticContact CZ2-ND1 3.5Å; W182-H196 WeakPolarHBondContact CZ2-ND1 3.4Å; T192-H196 PolarHBondContact O-N 3.36Å; T192-H196 PolarHBondContact O-ND1 3.46Å; T192-H196 PolarHBondContact OG1-CE1 2.98Å; T192-H196 VanDerWaalsContact OG1-CE1 3.3Å; T192-H196 PolarHBondContact OG1-ND1 3.21Å; V193-H196 PolarHBondContact O-N 2.93Å; H196-H198 VanDerWaalsContact C-N 3.34Å; H196-H198 PolarHBondContact O-N 3.3Å; H196-R199 PolarHBondContact O-N 2.96Å; H196-I200 WeakPolarHBondContact O-CD1 3.39Å; H196-I200 WeakPolarHBondContact O-CG1 3.49Å; H196-I200 PolarHBondContact O-N 2.86Å
197	I	94.3	Very high	84.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-46.3	173.6	-63	-72.8	0	0	0	111.1	L160 L164 V193 N194 R199 I200 R201 I214 Y222	L160-I197 HydrophobicContact CD1-CD1 4.35Å; L160-I197 HydrophobicContact CD2-CD1 3.68Å; L160-I197 HydrophobicContact CD2-CG1 3.94Å; L160-I197 HydrophobicContact CG-CD1 4.09Å; L164-I197 HydrophobicContact CD1-CD1 3.62Å; V193-I197 HydrophobicContact CG1-CG1 4.13Å; V193-I197 WeakPolarHBondContact O-CG1 3.37Å; V193-I197 PolarHBondContact O-N 3.48Å; N194-I197 PolarHBondContact O-N 2.9Å; I197-R199 PolarHBondContact O-N 2.94Å; I197-I200 PolarHBondContact O-N 3.22Å; I197-R201 WeakPolarHBondContact O-CG 3.25Å; I197-R201 PolarHBondContact O-N 3.19Å; I197-I214 HydrophobicContact CD1-CD1 4Å; I197-I214 HydrophobicContact CD1-CG2 3.88Å; I197-I214 HydrophobicContact CG2-CB 4.43Å; I197-I214 HydrophobicContact CG2-CG2 4.1Å; I197-Y222 HydrophobicContact CB-CE1 4.2Å; I197-Y222 HydrophobicContact CD1-CD1 4.15Å; I197-Y222 HydrophobicContact CD1-CD2 4.2Å; I197-Y222 HydrophobicContact CD1-CG 3.96Å; I197-Y222 HydrophobicContact CG1-CD1 4.08Å; I197-Y222 HydrophobicContact CG1-CD2 4.07Å; I197-Y222 HydrophobicContact CG1-CE1 4Å; I197-Y222 HydrophobicContact CG1-CE2 3.98Å; I197-Y222 HydrophobicContact CG1-CG 4.11Å; I197-Y222 HydrophobicContact CG2-CD1 3.92Å; I197-Y222 HydrophobicContact CG2-CE1 3.72Å
198	H	92.5	Very high	86.6	Confident	103 Å²	103	54.2 Å²	54.2	48%	0.477	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-46.7	178.8	179.4	49.2	0	0	0	111.7	N194 V195 H196 I200 R201 E202	N194-H198 WeakPolarHBondContact O-CB 3.49Å; N194-H198 PolarHBondContact O-N 2.73Å; V195-H198 PolarHBondContact O-N 2.85Å; H196-H198 VanDerWaalsContact C-N 3.34Å; H196-H198 PolarHBondContact O-N 3.3Å; H198-I200 PolarHBondContact O-N 2.95Å; H198-R201 WeakPolarHBondContact O-CB 3.44Å; H198-R201 PolarHBondContact O-N 2.85Å; H198-E202 IonicContact CE1-OE1 3.38Å; H198-E202 PolarHBondContact CE1-OE1 3.5Å; H198-E202 IonicContact NE2-OE1 3.22Å; H198-E202 PolarHBondContact NE2-OE1 3.31Å; H198-E202 WeakPolarHBondContact O-CG 3.12Å; H198-E202 PolarHBondContact O-N 3.21Å
199	R	91.4	Very high	88.4	Confident	34 Å²	34	47.7 Å²	47.7	13%	0.128	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-40.7	177.5	-73.2	-179.6	178.9	177.2	4.3	113.6	T92 L93 E157 V195 H196 I197 R201 E202 K203	T92-R199 PolarHBondContact O-NH2 3.32Å; L93-R199 PolarHBondContact O-NH1 2.94Å; L93-R199 PolarHBondContact O-NH2 3.23Å; E157-R199 WeakPolarHBondContact OE1-CD 3.21Å; V195-R199 WeakPolarHBondContact O-CG 3.38Å; V195-R199 PolarHBondContact O-N 3.03Å; H196-R199 PolarHBondContact O-N 2.96Å; I197-R199 PolarHBondContact O-N 2.94Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R199-E202 PolarHBondContact O-N 2.85Å; R199-K203 WeakPolarHBondContact O-CB 3.34Å; R199-K203 VanDerWaalsContact O-CG 3.28Å; R199-K203 WeakPolarHBondContact O-CG 3.27Å; R199-K203 PolarHBondContact O-N 3.33Å
200	I	95.9	Very high	89.8	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-46.9	176.1	-69	160	0	0	0	109.4	M153 E157 L160 L161 H196 I197 H198 K203 L204 I214	M153-I200 HydrophobicContact CE-CG2 4.22Å; E157-I200 HydrophobicContact CB-CD1 4.36Å; E157-I200 HydrophobicContact CB-CG1 3.91Å; E157-I200 HydrophobicContact CG-CG1 4.38Å; E157-I200 WeakPolarHBondContact O-CD1 3.11Å; L160-I200 HydrophobicContact CB-CD1 4.05Å; L160-I200 HydrophobicContact CD2-CD1 3.77Å; L160-I200 HydrophobicContact CG-CD1 3.97Å; L161-I200 HydrophobicContact CB-CD1 4.2Å; L161-I200 HydrophobicContact CB-CG2 4.34Å; L161-I200 HydrophobicContact CD1-CG2 4.01Å; L161-I200 HydrophobicContact CD2-CG2 4.2Å; L161-I200 HydrophobicContact CG-CG2 4.38Å; H196-I200 WeakPolarHBondContact O-CD1 3.39Å; H196-I200 WeakPolarHBondContact O-CG1 3.49Å; H196-I200 PolarHBondContact O-N 2.86Å; I197-I200 PolarHBondContact O-N 3.22Å; H198-I200 PolarHBondContact O-N 2.95Å; I200-K203 PolarHBondContact O-N 2.92Å; I200-L204 HydrophobicContact CG2-CD1 3.96Å; I200-L204 HydrophobicContact CG2-CG 4.43Å; I200-L204 WeakPolarHBondContact O-CG 3.31Å; I200-L204 PolarHBondContact O-N 2.82Å; I200-I214 HydrophobicContact CB-CD1 4.28Å; I200-I214 HydrophobicContact CD1-CD1 4.39Å; I200-I214 HydrophobicContact CG2-CD1 3.71Å
201	R	95.5	Very high	91.1	Very high	56 Å²	56	50.9 Å²	50.9	21%	0.211	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-50.5	176.2	-70.8	174.9	-178.8	154.6	0	111.6	I197 H198 R199 K203 L204 E205 I214 T216	I197-R201 WeakPolarHBondContact O-CG 3.25Å; I197-R201 PolarHBondContact O-N 3.19Å; H198-R201 WeakPolarHBondContact O-CB 3.44Å; H198-R201 PolarHBondContact O-N 2.85Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R201-K203 VanDerWaalsContact C-N 3.29Å; R201-K203 PolarHBondContact O-N 2.95Å; R201-L204 PolarHBondContact O-N 3.25Å; R201-E205 VanDerWaalsContact O-CB 3.31Å; R201-E205 WeakPolarHBondContact O-CB 3.49Å; R201-E205 VanDerWaalsContact O-CG 3.27Å; R201-E205 WeakPolarHBondContact O-CG 3.39Å; R201-E205 PolarHBondContact O-N 2.81Å; R201-I214 PolarHBondContact NE-O 2.96Å; R201-I214 PolarHBondContact NH2-O 2.64Å; R201-T216 PolarHBondContact NH2-OG1 2.92Å
202	E	93.7	Very high	92.1	Very high	97 Å²	97	49.3 Å²	49.3	45%	0.453	25%	0.245	S	C	.	.	H	α-helix	trans	-57	-42.1	178.3	-72.8	-176.3	145.6	0	0	112.5	H198 R199 K206	H198-E202 IonicContact CE1-OE1 3.38Å; H198-E202 PolarHBondContact CE1-OE1 3.5Å; H198-E202 IonicContact NE2-OE1 3.22Å; H198-E202 PolarHBondContact NE2-OE1 3.31Å; H198-E202 WeakPolarHBondContact O-CG 3.12Å; H198-E202 PolarHBondContact O-N 3.21Å; R199-E202 PolarHBondContact O-N 2.85Å; E202-K206 VanDerWaalsContact O-CB 3.26Å; E202-K206 WeakPolarHBondContact O-CB 3.26Å; E202-K206 PolarHBondContact O-N 2.99Å
203	K	94.6	Very high	92.8	Very high	56 Å²	56	51.1 Å²	51.1	24%	0.243	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-42.6	178.8	-74.7	179.8	175.5	-164.3	0	112.2	V151 P152 M153 E157 R199 I200 R201 E207	V151-K203 HydrophobicContact CG1-CB 4.13Å; P152-K203 WeakPolarHBondContact O-CD 3.42Å; P152-K203 WeakPolarHBondContact O-CE 3.48Å; P152-K203 PolarHBondContact O-NZ 2.94Å; M153-K203 HydrophobicContact CE-CB 4.23Å; M153-K203 HydrophobicContact CG-CD 4.04Å; E157-K203 WeakPolarHBondContact OE2-CE 3.36Å; E157-K203 IonicContact OE2-NZ 2.65Å; E157-K203 PolarHBondContact OE2-NZ 2.89Å; R199-K203 WeakPolarHBondContact O-CB 3.34Å; R199-K203 VanDerWaalsContact O-CG 3.28Å; R199-K203 WeakPolarHBondContact O-CG 3.27Å; R199-K203 PolarHBondContact O-N 3.33Å; I200-K203 PolarHBondContact O-N 2.92Å; R201-K203 VanDerWaalsContact C-N 3.29Å; R201-K203 PolarHBondContact O-N 2.95Å; K203-E207 PolarHBondContact O-N 2.93Å
204	L	95.2	Very high	93.2	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-70	-42.1	177.4	-67.2	177.8	0	0	0	111.9	L135 V146 M153 I200 R201 K206 E207 S208 F209	L135-L204 HydrophobicContact CD1-CD2 3.88Å; V146-L204 HydrophobicContact CG2-CD2 4.06Å; M153-L204 HydrophobicContact CE-CD2 3.9Å; M153-L204 HydrophobicContact CE-CG 4.07Å; I200-L204 HydrophobicContact CG2-CD1 3.96Å; I200-L204 HydrophobicContact CG2-CG 4.43Å; I200-L204 WeakPolarHBondContact O-CG 3.31Å; I200-L204 PolarHBondContact O-N 2.82Å; R201-L204 PolarHBondContact O-N 3.25Å; L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 3.02Å; L204-E207 CarbonylContact O-C 3.58Å; L204-E207 PolarHBondContact O-N 3.22Å; L204-E207 VanDerWaalsContact O-N 3.14Å; L204-S208 PolarHBondContact O-N 3.24Å; L204-F209 HydrophobicContact CB-CB 4.45Å; L204-F209 HydrophobicContact CB-CD1 4.24Å; L204-F209 HydrophobicContact CD1-CD1 4.28Å; L204-F209 HydrophobicContact CD2-CD1 4.2Å; L204-F209 HydrophobicContact CG-CD1 4.47Å; L204-F209 WeakPolarHBondContact O-CB 3.45Å; L204-F209 PolarHBondContact O-N 2.8Å
205	E	92.4	Very high	93.5	Very high	116 Å²	116	51.4 Å²	51.4	54%	0.542	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-38.9	176.1	-75.5	172.3	-164.2	0	0	111.8	R201 E207 S208	R201-E205 VanDerWaalsContact O-CB 3.31Å; R201-E205 WeakPolarHBondContact O-CB 3.49Å; R201-E205 VanDerWaalsContact O-CG 3.27Å; R201-E205 WeakPolarHBondContact O-CG 3.39Å; R201-E205 PolarHBondContact O-N 2.81Å; E205-E207 PolarHBondContact O-N 3.38Å; E205-S208 WeakPolarHBondContact O-CA 3.49Å; E205-S208 PolarHBondContact O-N 2.93Å
206	K	93.2	Very high	94	Very high	169 Å²	169	52.4 Å²	52.4	74%	0.735	27%	0.265	S	S	*	.	H	α-helix	trans	-60.2	-31.7	175.7	-175.6	-179.5	175.2	-170.9	0	112.8	E202 L204 S208	E202-K206 VanDerWaalsContact O-CB 3.26Å; E202-K206 WeakPolarHBondContact O-CB 3.26Å; E202-K206 PolarHBondContact O-N 2.99Å; L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 3.02Å; K206-S208 PolarHBondContact O-N 3.48Å
207	E	92.7	Very high	94.1	Very high	68 Å²	68	54.1 Å²	54.1	32%	0.318	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12.1	174.5	-58.3	-57.5	140.6	0	0	112.6	V146 V151 K203 L204 E205 F209	V146-E207 HydrophobicContact CB-CB 4.08Å; V146-E207 HydrophobicContact CG1-CB 3.96Å; V146-E207 HydrophobicContact CG2-CB 4.33Å; V151-E207 HydrophobicContact CG1-CG 4.11Å; V151-E207 HydrophobicContact CG2-CG 3.75Å; K203-E207 PolarHBondContact O-N 2.93Å; L204-E207 CarbonylContact O-C 3.58Å; L204-E207 PolarHBondContact O-N 3.22Å; L204-E207 VanDerWaalsContact O-N 3.14Å; E205-E207 PolarHBondContact O-N 3.38Å; E207-F209 PolarHBondContact O-N 2.6Å; E207-F209 VanDerWaalsContact O-N 3.12Å
208	S	91.9	Very high	93.9	Very high	99 Å²	99	65 Å²	65	69%	0.692	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	23	-175.9	-53.4	0	0	0	0	113.9	L204 E205 K206 T210	L204-S208 PolarHBondContact O-N 3.24Å; E205-S208 WeakPolarHBondContact O-CA 3.49Å; E205-S208 PolarHBondContact O-N 2.93Å; K206-S208 PolarHBondContact O-N 3.48Å; S208-T210 PolarHBondContact O-N 3.02Å
209	F	92.9	Very high	93.7	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.031	34%	0.338	C	S	.	.			trans	-83.4	103.9	175.1	-177.1	-104.2	0	0	0	110	E134 L135 V146 L204 E207 Y212	E134-F209 HydrophobicContact CB-CD2 4.14Å; E134-F209 HydrophobicContact CB-CE2 4.21Å; L135-F209 HydrophobicContact CB-CD1 4.36Å; L135-F209 HydrophobicContact CB-CD2 4.16Å; L135-F209 HydrophobicContact CB-CE1 3.75Å; L135-F209 HydrophobicContact CB-CE2 3.52Å; L135-F209 HydrophobicContact CB-CZ 3.28Å; L135-F209 HydrophobicContact CD2-CD1 4.4Å; L135-F209 HydrophobicContact CD2-CE1 3.61Å; L135-F209 HydrophobicContact CD2-CZ 3.88Å; L135-F209 HydrophobicContact CG-CE1 4.2Å; L135-F209 HydrophobicContact CG-CZ 4.17Å; V146-F209 HydrophobicContact CG1-CB 3.81Å; V146-F209 HydrophobicContact CG1-CD2 4.31Å; V146-F209 HydrophobicContact CG1-CG 4.38Å; V146-F209 HydrophobicContact CG2-CB 3.94Å; V146-F209 HydrophobicContact CG2-CG 4.17Å; L204-F209 HydrophobicContact CB-CB 4.45Å; L204-F209 HydrophobicContact CB-CD1 4.24Å; L204-F209 HydrophobicContact CD1-CD1 4.28Å; L204-F209 HydrophobicContact CD2-CD1 4.2Å; L204-F209 HydrophobicContact CG-CD1 4.47Å; L204-F209 WeakPolarHBondContact O-CB 3.45Å; L204-F209 PolarHBondContact O-N 2.8Å; E207-F209 PolarHBondContact O-N 2.6Å; E207-F209 VanDerWaalsContact O-N 3.12Å; F209-Y212 HydrophobicContact CZ-CD2 4.2Å; F209-Y212 HydrophobicContact CZ-CG 4.41Å
210	T	91.2	Very high	93.7	Very high	96 Å²	96	68 Å²	68	59%	0.589	36%	0.36	S	S	*	.			trans	-121.9	-3.7	-178.1	58.1	0	0	0	0	113.2	S208 Y212 S227	S208-T210 PolarHBondContact O-N 3.02Å; T210-Y212 VanDerWaalsContact C-N 3.29Å; T210-Y212 PolarHBondContact O-N 3.09Å; T210-S227 WeakPolarHBondContact O-CB 3.02Å; T210-S227 PolarHBondContact O-OG 3.31Å
211	T	93.4	Very high	93.6	Very high	38 Å²	38	68.3 Å²	68.3	23%	0.233	36%	0.362	C	S	.	.	S	Bend	trans	-62.9	-36.5	-177.9	-43.6	0	0	0	0	112.5	D133 E134 R226 S227	D133-T211 HydrophobicContact CB-CG2 4.26Å; D133-T211 WeakPolarHBondContact OD2-CG2 3.29Å; E134-T211 PolarHBondContact OE2-OG1 3.14Å; E134-T211 VanDerWaalsContact OE2-OG1 3.06Å; T211-R226 VanDerWaalsContact O-CG 3.24Å; T211-R226 WeakPolarHBondContact O-CG 3.24Å; T211-S227 PolarHBondContact O-N 2.86Å
212	Y	96.3	Very high	93.7	Very high	28 Å²	28	66.2 Å²	66.2	11%	0.11	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.8	172.2	-79.7	-104.3	0	0	0	110.4	F132 E168 F209 T210 F224 E225 R226	F132-Y212 HydrophobicContact CB-CD1 4.49Å; F132-Y212 HydrophobicContact CB-CD2 3.83Å; F132-Y212 HydrophobicContact CB-CE1 4.5Å; F132-Y212 HydrophobicContact CB-CE2 3.86Å; F132-Y212 HydrophobicContact CB-CG 4.17Å; F132-Y212 HydrophobicContact CD1-CD1 4.27Å; F132-Y212 AromaticContact CD1-CE1 3.81Å; F132-Y212 HydrophobicContact CD1-CE1 3.81Å; F132-Y212 HydrophobicContact CD1-CE2 4.42Å; F132-Y212 AromaticContact CD1-CZ 3.9Å; F132-Y212 HydrophobicContact CG-CE1 4.47Å; E168-Y212 HydrophobicContact CG-CE1 4.21Å; E168-Y212 VanDerWaalsContact OE1-CE1 3.29Å; E168-Y212 WeakPolarHBondContact OE1-CE1 3.42Å; E168-Y212 PolarHBondContact OE1-OH 2.75Å; F209-Y212 HydrophobicContact CZ-CD2 4.2Å; F209-Y212 HydrophobicContact CZ-CG 4.41Å; T210-Y212 VanDerWaalsContact C-N 3.29Å; T210-Y212 PolarHBondContact O-N 3.09Å; Y212-F224 HydrophobicContact CD1-CD1 4.11Å; Y212-F224 AromaticContact CD1-CE1 3.43Å; Y212-F224 HydrophobicContact CD1-CE1 3.43Å; Y212-F224 VanDerWaalsContact CD1-CE1 3.43Å; Y212-F224 AromaticContact CD1-CZ 3.68Å; Y212-F224 HydrophobicContact CD1-CZ 3.68Å; Y212-F224 HydrophobicContact CE1-CE1 4.06Å; Y212-F224 HydrophobicContact CG-CE1 4.09Å; Y212-F224 AromaticContact CG-CZ 3.88Å; Y212-F224 HydrophobicContact CG-CZ 3.88Å; Y212-E225 WeakPolarHBondContact CA-O 3.14Å; Y212-E225 WeakPolarHBondContact CD1-O 3.38Å; Y212-R226 HydrophobicContact CD1-CB 4.38Å; Y212-R226 HydrophobicContact CD2-CG 4.42Å; Y212-R226 HydrophobicContact CE1-CB 4.03Å; Y212-R226 HydrophobicContact CE2-CB 4.43Å; Y212-R226 HydrophobicContact CE2-CG 4.1Å
213	T	95.9	Very high	93.9	Very high	40 Å²	40	63.2 Å²	63.2	25%	0.245	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	162.1	174.9	-166.5	0	0	0	0	110.8	E225	T213-E225 PolarHBondContact N-O 3.43Å; T213-E225 PolarHBondContact O-N 3.14Å; T213-E225 VanDerWaalsContact O-O 3.13Å
214	I	97.7	Very high	94	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	112.3	163.1	-57.4	168.1	0	0	0	106.3	L161 L164 I197 I200 R201 Y222 K223 F224	L161-I214 HydrophobicContact CD1-CD1 4.06Å; L161-I214 HydrophobicContact CD1-CG1 4.43Å; L164-I214 HydrophobicContact CD1-CD1 3.95Å; L164-I214 HydrophobicContact CD1-CG1 4.27Å; L164-I214 HydrophobicContact CD1-CG2 3.95Å; I197-I214 HydrophobicContact CD1-CD1 4Å; I197-I214 HydrophobicContact CD1-CG2 3.88Å; I197-I214 HydrophobicContact CG2-CB 4.43Å; I197-I214 HydrophobicContact CG2-CG2 4.1Å; I200-I214 HydrophobicContact CB-CD1 4.28Å; I200-I214 HydrophobicContact CD1-CD1 4.39Å; I200-I214 HydrophobicContact CG2-CD1 3.71Å; R201-I214 PolarHBondContact NE-O 2.96Å; R201-I214 PolarHBondContact NH2-O 2.64Å; I214-Y222 HydrophobicContact CG2-CD1 4.06Å; I214-Y222 HydrophobicContact CG2-CG 4.35Å; I214-K223 CarbonylContact C-O 3.46Å; I214-K223 WeakPolarHBondContact CA-O 3.38Å; I214-F224 HydrophobicContact CG1-CD2 4.01Å
215	T	96	Very high	94.1	Very high	44 Å²	44	61.2 Å²	61.2	27%	0.27	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.4	175.6	-59.5	0	0	0	0	110.6	Y222 K223 E225	T215-Y222 WeakPolarHBondContact O-CA 3.21Å; T215-K223 PolarHBondContact N-O 2.89Å; T215-K223 PolarHBondContact O-N 3.45Å; T215-E225 WeakPolarHBondContact CB-OE1 3.49Å; T215-E225 PolarHBondContact OG1-OE1 3.4Å
216	T	95.9	Very high	94.2	Very high	40 Å²	40	62.7 Å²	62.7	25%	0.245	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.5	166.6	-55	0	0	0	0	108.7	R201 W218 Y222	R201-T216 PolarHBondContact NH2-OG1 2.92Å; T216-W218 HydrophobicContact CG2-CD2 4.36Å; T216-W218 HydrophobicContact CG2-CE3 4.47Å; T216-Y222 HydrophobicContact CG2-CE1 4.17Å
217	V	93.9	Very high	94	Very high	35 Å²	35	56.8 Å²	56.8	21%	0.212	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	97.9	173.1	-170.6	0	0	0	0	107.8	V171 G219 L220 G221 K223	V171-V217 HydrophobicContact CG1-CB 3.91Å; V171-V217 HydrophobicContact CG1-CG1 4.15Å; V171-V217 HydrophobicContact CG1-CG2 4.05Å; V171-V217 HydrophobicContact CG2-CG1 4.38Å; V171-V217 HydrophobicContact CG2-CG2 4.03Å; V217-G219 PolarHBondContact O-N 3.12Å; V217-L220 HydrophobicContact CB-CB 4.27Å; V217-L220 HydrophobicContact CG1-CB 3.92Å; V217-L220 HydrophobicContact CG1-CD1 3.78Å; V217-L220 HydrophobicContact CG1-CG 4.22Å; V217-L220 PolarHBondContact O-N 2.91Å; V217-G221 PolarHBondContact N-O 3.12Å; V217-G221 PolarHBondContact O-N 3.05Å; V217-K223 HydrophobicContact CG2-CB 3.96Å
218	W	90.3	Very high	93.2	Very high	228 Å²	228	67.5 Å²	67.5	86%	0.864	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	128.7	-172.8	-64.2	102.1	0	0	0	112.5	T216 L220	T216-W218 HydrophobicContact CG2-CD2 4.36Å; T216-W218 HydrophobicContact CG2-CE3 4.47Å; W218-L220 PolarHBondContact O-N 3.06Å
219	G	88.1	Confident	93.3	Very high	90 Å²	90	66 Å²	66	93%	0.928	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-11.4	-177.9	0	0	0	0	0	115.6	V217	V217-G219 PolarHBondContact O-N 3.12Å
220	L	90.5	Very high	93.3	Very high	112 Å²	112	69.1 Å²	69.1	59%	0.586	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-44	-176.5	-60.8	179.9	0	0	0	112.8	V171 S173 V217 W218	V171-L220 HydrophobicContact CG1-CB 3.65Å; S173-L220 VanDerWaalsContact CA-O 3.31Å; S173-L220 WeakPolarHBondContact CA-O 3.34Å; V217-L220 HydrophobicContact CB-CB 4.27Å; V217-L220 HydrophobicContact CG1-CB 3.92Å; V217-L220 HydrophobicContact CG1-CD1 3.78Å; V217-L220 HydrophobicContact CG1-CG 4.22Å; V217-L220 PolarHBondContact O-N 2.91Å; W218-L220 PolarHBondContact O-N 3.06Å
221	G	94.2	Very high	93.5	Very high	5 Å²	5	67.6 Å²	67.6	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146	-132.2	-179.9	0	0	0	0	0	113.3	I172 V217	I172-G221 WeakPolarHBondContact O-CA 3.06Å; V217-G221 PolarHBondContact N-O 3.12Å; V217-G221 PolarHBondContact O-N 3.05Å
222	Y	97.4	Very high	93.5	Very high	12 Å²	12	69.3 Å²	69.3	5%	0.047	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.3	-175.9	-64.1	-77.8	0	0	0	111.3	I172 K174 L177 V193 N194 I197 I214 T215 T216	I172-Y222 PolarHBondContact N-O 3.43Å; I172-Y222 PolarHBondContact O-N 3.02Å; K174-Y222 HydrophobicContact CD-CE2 4.25Å; K174-Y222 HydrophobicContact CG-CD2 4.36Å; K174-Y222 HydrophobicContact CG-CE2 3.97Å; L177-Y222 HydrophobicContact CD1-CD2 3.73Å; L177-Y222 HydrophobicContact CD1-CG 4.42Å; V193-Y222 HydrophobicContact CG1-CD2 4Å; V193-Y222 HydrophobicContact CG1-CE2 3.75Å; N194-Y222 PolarHBondContact OD1-OH 3.33Å; I197-Y222 HydrophobicContact CB-CE1 4.2Å; I197-Y222 HydrophobicContact CD1-CD1 4.15Å; I197-Y222 HydrophobicContact CD1-CD2 4.2Å; I197-Y222 HydrophobicContact CD1-CG 3.96Å; I197-Y222 HydrophobicContact CG1-CD1 4.08Å; I197-Y222 HydrophobicContact CG1-CD2 4.07Å; I197-Y222 HydrophobicContact CG1-CE1 4Å; I197-Y222 HydrophobicContact CG1-CE2 3.98Å; I197-Y222 HydrophobicContact CG1-CG 4.11Å; I197-Y222 HydrophobicContact CG2-CD1 3.92Å; I197-Y222 HydrophobicContact CG2-CE1 3.72Å; I214-Y222 HydrophobicContact CG2-CD1 4.06Å; I214-Y222 HydrophobicContact CG2-CG 4.35Å; T215-Y222 WeakPolarHBondContact O-CA 3.21Å; T216-Y222 HydrophobicContact CG2-CE1 4.17Å
223	K	97.1	Very high	93.3	Very high	34 Å²	34	71.9 Å²	71.9	15%	0.148	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.1	178.8	175.7	173.3	60.4	144.5	0	109.3	N169 E170 V171 I214 T215 V217 E225	N169-K223 VanDerWaalsContact O-CD 3.25Å; N169-K223 WeakPolarHBondContact O-CD 3.29Å; E170-K223 WeakPolarHBondContact O-CG 3.44Å; V171-K223 HydrophobicContact CG2-CB 4.38Å; V171-K223 HydrophobicContact CG2-CD 4.06Å; I214-K223 CarbonylContact C-O 3.46Å; I214-K223 WeakPolarHBondContact CA-O 3.38Å; T215-K223 PolarHBondContact N-O 2.89Å; T215-K223 PolarHBondContact O-N 3.45Å; V217-K223 HydrophobicContact CG2-CB 3.96Å; K223-E225 WeakPolarHBondContact CE-OE1 3.38Å; K223-E225 WeakPolarHBondContact CE-OE2 3.1Å; K223-E225 HydrophobicContact CG-CB 4.31Å; K223-E225 IonicContact NZ-OE1 3.09Å; K223-E225 PolarHBondContact NZ-OE1 3.37Å; K223-E225 VanDerWaalsContact NZ-OE1 3.09Å; K223-E225 IonicContact NZ-OE2 2.6Å; K223-E225 PolarHBondContact NZ-OE2 2.63Å
224	F	98.3	Very high	93.1	Very high	0 Å²	0	74 Å²	74	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.4	168.4	-178	-95.5	0	0	0	108.8	F132 L135 L161 L164 A165 E168 N169 Y212 I214	F132-F224 HydrophobicContact CB-CZ 4.46Å; F132-F224 AromaticContact CD1-CE1 3.73Å; F132-F224 HydrophobicContact CD1-CE1 3.73Å; F132-F224 HydrophobicContact CD1-CZ 4.42Å; F132-F224 AromaticContact CD2-CE1 3.81Å; F132-F224 HydrophobicContact CD2-CE1 3.81Å; F132-F224 AromaticContact CD2-CZ 3.93Å; F132-F224 HydrophobicContact CD2-CZ 3.93Å; F132-F224 HydrophobicContact CE1-CD1 4.44Å; F132-F224 AromaticContact CE1-CE1 3.75Å; F132-F224 HydrophobicContact CE1-CE1 3.75Å; F132-F224 AromaticContact CE2-CE1 3.83Å; F132-F224 HydrophobicContact CE2-CE1 3.83Å; F132-F224 HydrophobicContact CE2-CZ 4.27Å; F132-F224 AromaticContact CG-CE1 3.76Å; F132-F224 HydrophobicContact CG-CE1 3.76Å; F132-F224 HydrophobicContact CG-CZ 4.01Å; F132-F224 HydrophobicContact CZ-CD1 4.42Å; F132-F224 AromaticContact CZ-CE1 3.81Å; F132-F224 HydrophobicContact CZ-CE1 3.81Å; L135-F224 HydrophobicContact CD2-CE2 4.22Å; L135-F224 HydrophobicContact CD2-CZ 3.95Å; L161-F224 HydrophobicContact CD1-CD2 4.07Å; L161-F224 HydrophobicContact CD1-CE2 4Å; L164-F224 HydrophobicContact CB-CB 3.96Å; A165-F224 HydrophobicContact CB-CD1 3.92Å; A165-F224 HydrophobicContact CB-CD2 4.48Å; A165-F224 HydrophobicContact CB-CE1 4Å; A165-F224 HydrophobicContact CB-CG 4.17Å; A165-F224 HydrophobicContact CB-CZ 4.32Å; E168-F224 HydrophobicContact CG-CD1 4.22Å; N169-F224 PolarHBondContact N-O 3.03Å; Y212-F224 HydrophobicContact CD1-CD1 4.11Å; Y212-F224 AromaticContact CD1-CE1 3.43Å; Y212-F224 HydrophobicContact CD1-CE1 3.43Å; Y212-F224 VanDerWaalsContact CD1-CE1 3.43Å; Y212-F224 AromaticContact CD1-CZ 3.68Å; Y212-F224 HydrophobicContact CD1-CZ 3.68Å; Y212-F224 HydrophobicContact CE1-CE1 4.06Å; Y212-F224 HydrophobicContact CG-CE1 4.09Å; Y212-F224 AromaticContact CG-CZ 3.88Å; Y212-F224 HydrophobicContact CG-CZ 3.88Å; I214-F224 HydrophobicContact CG1-CD2 4.01Å
225	E	96.8	Very high	92.8	Very high	22 Å²	22	79.1 Å²	79.1	10%	0.103	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	165.9	-177.2	67.4	-178.8	140.9	0	0	111.4	Y212 T213 T215 K223 S227	Y212-E225 WeakPolarHBondContact CA-O 3.14Å; Y212-E225 WeakPolarHBondContact CD1-O 3.38Å; T213-E225 PolarHBondContact N-O 3.43Å; T213-E225 PolarHBondContact O-N 3.14Å; T213-E225 VanDerWaalsContact O-O 3.13Å; T215-E225 WeakPolarHBondContact CB-OE1 3.49Å; T215-E225 PolarHBondContact OG1-OE1 3.4Å; K223-E225 WeakPolarHBondContact CE-OE1 3.38Å; K223-E225 WeakPolarHBondContact CE-OE2 3.1Å; K223-E225 HydrophobicContact CG-CB 4.31Å; K223-E225 IonicContact NZ-OE1 3.09Å; K223-E225 PolarHBondContact NZ-OE1 3.37Å; K223-E225 VanDerWaalsContact NZ-OE1 3.09Å; K223-E225 IonicContact NZ-OE2 2.6Å; K223-E225 PolarHBondContact NZ-OE2 2.63Å; E225-S227 PolarHBondContact O-N 3.29Å
226	R	95.1	Very high	92.5	Very high	147 Å²	147	81.8 Å²	81.8	56%	0.555	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.7	171.3	-157.1	175.4	-160	-159.3	6.3	110.2	D133 T211 Y212	D133-R226 IonicContact OD2-NH2 3.4Å; D133-R226 PolarHBondContact OD2-NH2 3.39Å; T211-R226 VanDerWaalsContact O-CG 3.24Å; T211-R226 WeakPolarHBondContact O-CG 3.24Å; Y212-R226 HydrophobicContact CD1-CB 4.38Å; Y212-R226 HydrophobicContact CD2-CG 4.42Å; Y212-R226 HydrophobicContact CE1-CB 4.03Å; Y212-R226 HydrophobicContact CE2-CB 4.43Å; Y212-R226 HydrophobicContact CE2-CG 4.1Å
227	S	88.5	Confident	92.2	Very high	44 Å²	44	85.3 Å²	85.3	31%	0.308	41%	0.409	S	S	.	.			trans	-64.7	142.5	177.2	-60.7	0	0	0	0	110.6	T210 T211 E225	T210-S227 WeakPolarHBondContact O-CB 3.02Å; T210-S227 PolarHBondContact O-OG 3.31Å; T211-S227 PolarHBondContact O-N 2.86Å; E225-S227 PolarHBondContact O-N 3.29Å
228	R	76.7	Confident	92.1	Very high	294 Å²	294	89.8 Å²	89.8	100%	1.109	43%	0.427	S	S	*	.			trans	-85.8	0	179	-67.4	-175.5	-178.1	-173	-0.8	112.4

Retrieved 228 of 228 residues in 48.3 ms (Link to these results)

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