A0A3P8NXH5_ASTCA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A3P8NXH5, Species ASTCA (Astatotilapia calliptera, Eastern happy), Gene n/a, Length 206 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	47.1	Very low	252 Å²	252	148.5 Å²	148.5	100%	1.241	88%	0.879	S	S	*	*				0	106.8	0	-75.1	178.6	171	0	0	108
2	A	38.6	Very low	50.4	Low	106 Å²	106	140.7 Å²	140.7	88%	0.876	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84	120	178.7	0	0	0	0	0	109	A4	A2-A4 PolarHBondContact O-N 3.39Å
3	A	43	Very low	53.8	Low	100 Å²	100	132.8 Å²	132.8	83%	0.826	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-67.7	119.2	175.2	0	0	0	0	0	109.6	K5	A3-K5 PolarHBondContact O-N 3.31Å
4	A	47	Very low	56.8	Low	97 Å²	97	126.6 Å²	126.6	80%	0.802	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-67.3	122.7	173.3	0	0	0	0	0	109.6	A2	A2-A4 PolarHBondContact O-N 3.39Å
5	K	39.3	Very low	59.6	Low	196 Å²	196	118.4 Å²	118.4	85%	0.852	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-66.2	138.5	170	-74	-178.8	175.2	-179.6	0	109.7	A3	A3-K5 PolarHBondContact O-N 3.31Å
6	P	44	Very low	62	Low	130 Å²	130	115.6 Å²	115.6	84%	0.844	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-69	136.1	-179.7	27.9	-30.5	0	0	0	110.4
7	K	45.6	Very low	64.1	Low	213 Å²	213	108.8 Å²	108.8	93%	0.926	64%	0.638	S	S	*	*	S	Bend	trans	-78.3	127.3	173.6	-73.6	178.7	175.1	176.9	0	109.4
8	G	45.8	Very low	65.9	Low	74 Å²	74	103.1 Å²	103.1	76%	0.763	60%	0.604	S	S	*	*			trans	100.6	68.4	160.1	0	0	0	0	0	116.2	N10	G8-N10 PolarHBondContact O-N 3.32Å
9	Q	45.6	Very low	67.6	Low	194 Å²	194	97.6 Å²	97.6	91%	0.907	57%	0.572	S	S	*	*			trans	-72.9	108.8	147.6	-84	178.2	-8.6	0	0	106.2	S11	Q9-S11 VanDerWaalsContact C-N 3.34Å; Q9-S11 PolarHBondContact O-N 3.29Å
10	N	53.5	Low	69	Low	165 Å²	165	92.9 Å²	92.9	88%	0.882	54%	0.544	S	S	*	.			trans	-66.4	99.6	170.7	-142.3	21.6	0	0	0	105.9	G8 L12	G8-N10 PolarHBondContact O-N 3.32Å; N10-L12 PolarHBondContact O-N 2.95Å
11	S	77.7	Confident	70.2	Confident	107 Å²	107	88.5 Å²	88.5	75%	0.748	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-65.2	123.5	177.9	55.9	0	0	0	0	108	Q9 A13	Q9-S11 VanDerWaalsContact C-N 3.34Å; Q9-S11 PolarHBondContact O-N 3.29Å; S11-A13 PolarHBondContact O-N 2.81Å
12	L	86.6	Confident	72.9	Confident	54 Å²	54	77.9 Å²	77.9	28%	0.283	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-50.5	140.5	174.4	-63.2	172.2	0	0	0	109.9	N10 L14 K54 E61	N10-L12 PolarHBondContact O-N 2.95Å; L12-L14 PolarHBondContact O-N 3.24Å; L12-K54 HydrophobicContact CD1-CD 3.98Å; L12-K54 HydrophobicContact CD1-CG 4.24Å; L12-E61 HydrophobicContact CD1-CG 4.27Å; L12-E61 HydrophobicContact CD2-CB 3.99Å; L12-E61 HydrophobicContact CD2-CG 3.9Å; L12-E61 WeakPolarHBondContact CD2-O 3.35Å
13	A	93.8	Very high	75.4	Confident	39 Å²	39	74.3 Å²	74.3	32%	0.322	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	126.1	174.7	0	0	0	0	0	109.2	S11 V62 Q63	S11-A13 PolarHBondContact O-N 2.81Å; A13-V62 HydrophobicContact CB-CB 4.48Å; A13-V62 HydrophobicContact CB-CG1 4.1Å; A13-Q63 PolarHBondContact O-N 3.27Å
14	L	96.6	Very high	77.7	Confident	46 Å²	46	72.5 Å²	72.5	24%	0.241	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.5	177	-174.6	66.5	0	0	0	109.2	L12 K16 Q63 D65 K179	L12-L14 PolarHBondContact O-N 3.24Å; L14-K16 HydrophobicContact CD2-CG 4.48Å; L14-K16 HydrophobicContact CG-CG 4.49Å; L14-Q63 CarbonylContact C-O 3.53Å; L14-Q63 VanDerWaalsContact CA-O 3.29Å; L14-Q63 WeakPolarHBondContact CA-O 3.33Å; L14-Q63 HydrophobicContact CD1-CB 3.91Å; L14-Q63 HydrophobicContact CD1-CG 3.79Å; L14-D65 HydrophobicContact CD1-CB 3.93Å; L14-D65 HydrophobicContact CG-CB 4.48Å; L14-K179 PolarHBondContact O-NZ 3.12Å
15	H	97.9	Very high	80	Confident	3 Å²	3	67.9 Å²	67.9	1%	0.014	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115	174.9	-64.7	-61.4	0	0	0	109.9	Q63 I64 D65 E87 M172 I175	H15-Q63 PolarHBondContact N-O 3.22Å; H15-I64 WeakPolarHBondContact O-CA 3.3Å; H15-D65 PolarHBondContact O-N 3.02Å; H15-E87 WeakPolarHBondContact CA-OE2 3.43Å; H15-M172 HydrophobicContact CB-CG 3.99Å; H15-M172 HydrophobicContact CB-SD 4.41Å; H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 VanDerWaalsContact ND1-CG2 3.34Å; H15-I175 WeakPolarHBondContact ND1-CG2 3.36Å
16	K	97.9	Very high	82.6	Confident	74 Å²	74	59.3 Å²	59.3	32%	0.322	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.9	-178.5	-61.7	179.2	178.7	-176.9	0	111	L14 D65 S85 E87 G88	L14-K16 HydrophobicContact CD2-CG 4.48Å; L14-K16 HydrophobicContact CG-CG 4.49Å; K16-D65 CarbonylContact C-O 3.48Å; K16-D65 WeakPolarHBondContact CA-O 3.45Å; K16-D65 HydrophobicContact CG-CB 4.41Å; K16-S85 WeakPolarHBondContact CD-O 3.42Å; K16-E87 HydrophobicContact CB-CB 4.31Å; K16-E87 HydrophobicContact CB-CG 4.04Å; K16-E87 PolarHBondContact N-OE2 3.33Å; K16-E87 WeakPolarHBondContact O-CA 3.4Å; K16-E87 PolarHBondContact O-N 3.08Å; K16-G88 PolarHBondContact O-N 2.99Å; K16-G88 VanDerWaalsContact O-N 3.1Å
17	V	98.3	Very high	85.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133	178.2	173.1	0	0	0	0	109.4	M19 I64 D65 I66 L67 G88 L90 F168 L171 I175	V17-M19 HydrophobicContact CG1-SD 4.35Å; V17-I64 HydrophobicContact CG2-CD1 3.95Å; V17-I64 HydrophobicContact CG2-CG1 4.11Å; V17-D65 PolarHBondContact N-O 2.98Å; V17-I66 HydrophobicContact CB-CG1 4.47Å; V17-I66 CarbonylContact O-C 3.55Å; V17-I66 WeakPolarHBondContact O-CA 3.49Å; V17-L67 PolarHBondContact O-N 2.88Å; V17-G88 WeakPolarHBondContact CA-O 3.35Å; V17-L90 HydrophobicContact CG1-CD1 4.38Å; V17-L90 HydrophobicContact CG1-CG 4.15Å; V17-F168 HydrophobicContact CG1-CD1 4.39Å; V17-F168 HydrophobicContact CG1-CE1 4.35Å; V17-L171 HydrophobicContact CB-CD2 4.24Å; V17-L171 HydrophobicContact CG1-CD2 3.61Å; V17-L171 HydrophobicContact CG2-CD2 3.76Å; V17-L171 HydrophobicContact CG2-CG 4.42Å; V17-I175 HydrophobicContact CG2-CD1 4.02Å
18	I	97.4	Very high	87.4	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.3	174.7	-47.2	-59.9	0	0	0	108.9	V20 L67 T69 G88 F89 L90	I18-V20 HydrophobicContact CG2-CG1 3.99Å; I18-L67 HydrophobicContact CD1-CB 3.66Å; I18-L67 HydrophobicContact CD1-CD2 3.88Å; I18-L67 HydrophobicContact CD1-CG 4.43Å; I18-L67 HydrophobicContact CG2-CD2 4.39Å; I18-T69 HydrophobicContact CG2-CG2 4.17Å; I18-G88 PolarHBondContact N-O 3.42Å; I18-F89 HydrophobicContact CB-CD1 3.76Å; I18-F89 HydrophobicContact CB-CE1 3.83Å; I18-F89 HydrophobicContact CG1-CD1 4.23Å; I18-F89 HydrophobicContact CG1-CE1 3.83Å; I18-F89 HydrophobicContact CG1-CZ 4.41Å; I18-F89 HydrophobicContact CG2-CD1 4.35Å; I18-F89 HydrophobicContact CG2-CE1 4.32Å; I18-F89 WeakPolarHBondContact O-CA 3.34Å; I18-L90 PolarHBondContact O-N 2.99Å
19	M	96.8	Very high	89.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.5	172.3	-53.7	-60.9	-74.2	0	0	109	V17 K27 L30 I66 L67 T69 L90 V92 F168	V17-M19 HydrophobicContact CG1-SD 4.35Å; M19-K27 HydrophobicContact CB-CB 4.08Å; M19-K27 HydrophobicContact CB-CD 4.25Å; M19-K27 HydrophobicContact CB-CG 4.39Å; M19-L30 HydrophobicContact CE-CB 4.16Å; M19-L30 HydrophobicContact CE-CD1 4.46Å; M19-I66 HydrophobicContact CG-CG2 3.67Å; M19-I66 HydrophobicContact SD-CG2 4.01Å; M19-L67 PolarHBondContact N-O 2.93Å; M19-T69 VanDerWaalsContact O-CG2 3.3Å; M19-T69 WeakPolarHBondContact O-CG2 3.37Å; M19-T69 PolarHBondContact O-OG1 3.49Å; M19-L90 HydrophobicContact CE-CB 4.31Å; M19-L90 HydrophobicContact CE-CD1 4.13Å; M19-L90 HydrophobicContact SD-CB 3.91Å; M19-L90 HydrophobicContact SD-CD1 3.79Å; M19-L90 HydrophobicContact SD-CG 4.26Å; M19-V92 HydrophobicContact CE-CG2 4Å; M19-F168 HydrophobicContact CE-CE1 4.36Å; M19-F168 HydrophobicContact CE-CZ 3.95Å; M19-F168 HydrophobicContact SD-CE1 3.74Å; M19-F168 HydrophobicContact SD-CZ 3.93Å
20	V	95.8	Very high	92.2	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.4	175.5	-56.5	0	0	0	0	110.6	I18 F83 F89 L90 C91 V92 F107 I111	I18-V20 HydrophobicContact CG2-CG1 3.99Å; V20-F83 HydrophobicContact CG1-CE1 3.67Å; V20-F83 HydrophobicContact CG1-CZ 4.24Å; V20-F89 HydrophobicContact CG1-CD1 4.34Å; V20-L90 PolarHBondContact N-O 3.19Å; V20-C91 HydrophobicContact CG2-CB 3.88Å; V20-V92 PolarHBondContact O-N 3.42Å; V20-F107 HydrophobicContact CB-CD1 3.98Å; V20-F107 HydrophobicContact CB-CE1 4.47Å; V20-F107 HydrophobicContact CB-CG 4.32Å; V20-F107 HydrophobicContact CG2-CB 4.19Å; V20-F107 HydrophobicContact CG2-CD1 4.49Å; V20-F107 HydrophobicContact CG2-CG 4.38Å; V20-I111 HydrophobicContact CG1-CD1 4.31Å; V20-I111 HydrophobicContact CG2-CD1 4Å
21	G	95.5	Very high	94.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	17%	0.172	C	C	.	.			trans	139.2	160.4	-173.5	0	0	0	0	0	111.9	K27 G71 V92 F107	G21-K27 PolarHBondContact O-NZ 2.71Å; G21-G71 VanDerWaalsContact O-CA 3.27Å; G21-G71 WeakPolarHBondContact O-CA 3.49Å; G21-V92 VanDerWaalsContact CA-O 3.27Å; G21-V92 WeakPolarHBondContact CA-O 3.48Å; G21-F107 VanDerWaalsContact C-CE2 3.45Å; G21-F107 VanDerWaalsContact C-CZ 3.43Å; G21-F107 VanDerWaalsContact CA-CE2 3.42Å
22	S	93.4	Very high	95	Very high	29 Å²	29	20.1 Å²	20.1	20%	0.203	14%	0.141	C	C	.	.			trans	-57.3	165.2	-179.4	-56.1	0	0	0	0	112.9	V25 K27 A103	S22-V25 VanDerWaalsContact O-CG2 3.24Å; S22-V25 WeakPolarHBondContact O-CG2 3.46Å; S22-K27 PolarHBondContact O-NZ 3.09Å; S22-A103 WeakPolarHBondContact OG-CB 2.95Å
23	G	91.3	Very high	95.4	Very high	32 Å²	32	18.2 Å²	18.2	33%	0.33	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	145.7	170.7	0	0	0	0	0	111.2	V25	G23-V25 PolarHBondContact O-N 3.24Å; G23-V25 VanDerWaalsContact O-N 3.11Å
24	G	91.4	Very high	95.6	Very high	62 Å²	62	16.5 Å²	16.5	64%	0.639	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	-1.6	172.9	0	0	0	0	0	117.2	G26 K128	G24-G26 PolarHBondContact O-N 3.21Å; G24-K128 WeakPolarHBondContact O-CE 3.37Å; G24-K128 PolarHBondContact O-NZ 3.15Å
25	V	95.3	Very high	95.5	Very high	0 Å²	0	15 Å²	15	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-71.6	-15.3	178.4	-56.1	0	0	0	0	113.7	S22 G23 K27 V92 N127	S22-V25 VanDerWaalsContact O-CG2 3.24Å; S22-V25 WeakPolarHBondContact O-CG2 3.46Å; G23-V25 PolarHBondContact O-N 3.24Å; G23-V25 VanDerWaalsContact O-N 3.11Å; V25-K27 HydrophobicContact CG2-CD 4.4Å; V25-K27 HydrophobicContact CG2-CG 3.72Å; V25-V92 HydrophobicContact CB-CG1 4.37Å; V25-V92 HydrophobicContact CG2-CB 4.03Å; V25-V92 HydrophobicContact CG2-CG1 3.92Å; V25-N127 PolarHBondContact O-ND2 3.45Å
26	G	95	Very high	95.3	Very high	16 Å²	16	20.8 Å²	20.8	17%	0.165	13%	0.13	C	C	.	.	S	Bend	trans	99.9	29.3	176.3	0	0	0	0	0	115.8	G24 A29 L30	G24-G26 PolarHBondContact O-N 3.21Å; G26-A29 PolarHBondContact O-N 2.75Å; G26-L30 WeakPolarHBondContact O-CB 3.37Å; G26-L30 WeakPolarHBondContact O-CG 3.48Å; G26-L30 PolarHBondContact O-N 3.2Å
27	K	95.4	Very high	95	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-56.8	-51	174.1	-59.4	-175.1	-60.7	-76.4	0	112.2	M19 G21 S22 V25 L30 T31 D68 T69 A70 V92	M19-K27 HydrophobicContact CB-CB 4.08Å; M19-K27 HydrophobicContact CB-CD 4.25Å; M19-K27 HydrophobicContact CB-CG 4.39Å; G21-K27 PolarHBondContact O-NZ 2.71Å; S22-K27 PolarHBondContact O-NZ 3.09Å; V25-K27 HydrophobicContact CG2-CD 4.4Å; V25-K27 HydrophobicContact CG2-CG 3.72Å; K27-L30 PolarHBondContact O-N 2.83Å; K27-T31 WeakPolarHBondContact O-CB 3.31Å; K27-T31 PolarHBondContact O-N 3.37Å; K27-T31 PolarHBondContact O-OG1 2.85Å; K27-D68 VanDerWaalsContact CB-OD1 3.25Å; K27-D68 WeakPolarHBondContact CB-OD1 3.41Å; K27-T69 WeakPolarHBondContact CE-O 3.38Å; K27-A70 PolarHBondContact NZ-O 2.82Å; K27-V92 HydrophobicContact CG-CB 4.29Å; K27-V92 HydrophobicContact CG-CG2 4.44Å
28	S	93.8	Very high	94.3	Very high	17 Å²	17	27.8 Å²	27.8	12%	0.119	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-45.6	176.9	-20.9	0	0	0	0	110.9	L30 T31 L32 T46 D68	S28-L30 PolarHBondContact O-N 3.19Å; S28-T31 PolarHBondContact O-N 3.42Å; S28-T31 VanDerWaalsContact O-N 3.13Å; S28-L32 WeakPolarHBondContact O-CB 3.39Å; S28-L32 VanDerWaalsContact O-CG 3.32Å; S28-L32 WeakPolarHBondContact O-CG 3.36Å; S28-L32 PolarHBondContact O-N 2.7Å; S28-T46 PolarHBondContact OG-OG1 3.14Å; S28-D68 WeakPolarHBondContact CA-OD2 3.47Å; S28-D68 WeakPolarHBondContact CB-OD2 3.49Å; S28-D68 PolarHBondContact N-OD1 3.47Å; S28-D68 PolarHBondContact OG-OD2 2.9Å
29	A	94.8	Very high	93.7	Very high	18 Å²	18	31 Å²	31	15%	0.149	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-43.1	178.6	0	0	0	0	0	112.5	G26 Q33 F39 A158	G26-A29 PolarHBondContact O-N 2.75Å; A29-Q33 WeakPolarHBondContact O-CB 3.37Å; A29-Q33 PolarHBondContact O-N 2.77Å; A29-F39 HydrophobicContact CB-CD2 4.43Å; A29-F39 HydrophobicContact CB-CE2 4.2Å; A29-A158 HydrophobicContact CB-CB 3.7Å
30	L	97.2	Very high	92.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-42.4	174.1	-73.8	172.1	0	0	0	111.9	M19 G26 K27 S28 F34 V92 V125 N127 A158 V164	M19-L30 HydrophobicContact CE-CB 4.16Å; M19-L30 HydrophobicContact CE-CD1 4.46Å; G26-L30 WeakPolarHBondContact O-CB 3.37Å; G26-L30 WeakPolarHBondContact O-CG 3.48Å; G26-L30 PolarHBondContact O-N 3.2Å; K27-L30 PolarHBondContact O-N 2.83Å; S28-L30 PolarHBondContact O-N 3.19Å; L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 2.9Å; L30-V92 HydrophobicContact CD1-CG1 3.86Å; L30-V92 HydrophobicContact CD1-CG2 4.1Å; L30-V125 HydrophobicContact CD1-CG1 4.31Å; L30-N127 HydrophobicContact CD1-CB 4.28Å; L30-A158 HydrophobicContact CD2-CB 3.9Å; L30-A158 HydrophobicContact CG-CB 4.18Å; L30-V164 HydrophobicContact CD2-CG2 3.79Å
31	T	95.9	Very high	91.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-50.9	179.6	-57.7	0	0	0	0	110.9	K27 S28 F34 M35 Y51 I66	K27-T31 WeakPolarHBondContact O-CB 3.31Å; K27-T31 PolarHBondContact O-N 3.37Å; K27-T31 PolarHBondContact O-OG1 2.85Å; S28-T31 PolarHBondContact O-N 3.42Å; S28-T31 VanDerWaalsContact O-N 3.13Å; T31-F34 PolarHBondContact O-N 2.78Å; T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.31Å; T31-M35 WeakPolarHBondContact O-CG 3.39Å; T31-M35 PolarHBondContact O-N 2.89Å; T31-Y51 HydrophobicContact CG2-CD2 3.49Å; T31-Y51 VanDerWaalsContact CG2-CD2 3.49Å; T31-Y51 HydrophobicContact CG2-CE2 4.04Å; T31-Y51 HydrophobicContact CG2-CG 3.94Å; T31-I66 HydrophobicContact CG2-CB 4.23Å; T31-I66 HydrophobicContact CG2-CD1 4.28Å; T31-I66 HydrophobicContact CG2-CG2 3.77Å
32	L	94.4	Very high	90.2	Very high	19 Å²	19	47.6 Å²	47.6	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-41.4	179.6	-65.9	175.3	0	0	0	112	S28 F34 M35 Y36 V40 Y43 Y51	S28-L32 WeakPolarHBondContact O-CB 3.39Å; S28-L32 VanDerWaalsContact O-CG 3.32Å; S28-L32 WeakPolarHBondContact O-CG 3.36Å; S28-L32 PolarHBondContact O-N 2.7Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 3.43Å; L32-M35 PolarHBondContact O-N 3.45Å; L32-Y36 HydrophobicContact CD2-CD2 3.84Å; L32-Y36 HydrophobicContact CD2-CE2 3.74Å; L32-Y36 PolarHBondContact O-N 3.42Å; L32-V40 HydrophobicContact CD1-CG2 4.48Å; L32-Y43 HydrophobicContact CD1-CD2 3.73Å; L32-Y43 HydrophobicContact CD1-CE2 3.52Å; L32-Y51 HydrophobicContact CD2-CE1 4Å
33	Q	96.2	Very high	89	Confident	13 Å²	13	50.5 Å²	50.5	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-44.5	174.9	-179.5	63.6	-86.7	0	0	110.7	A29 D37 E38 A158 R161 V164	A29-Q33 WeakPolarHBondContact O-CB 3.37Å; A29-Q33 PolarHBondContact O-N 2.77Å; Q33-D37 VanDerWaalsContact O-CA 3.27Å; Q33-D37 WeakPolarHBondContact O-CA 3.36Å; Q33-D37 PolarHBondContact O-N 2.95Å; Q33-D37 VanDerWaalsContact OE1-CA 3.3Å; Q33-E38 VanDerWaalsContact CA-O 3.22Å; Q33-E38 WeakPolarHBondContact CA-O 3.43Å; Q33-E38 PolarHBondContact N-O 3.35Å; Q33-A158 WeakPolarHBondContact CG-O 3.36Å; Q33-A158 PolarHBondContact NE2-O 3.22Å; Q33-R161 HydrophobicContact CG-CB 4.39Å; Q33-R161 HydrophobicContact CG-CG 3.95Å; Q33-R161 PolarHBondContact O-NH1 2.91Å; Q33-V164 HydrophobicContact CB-CG1 4.27Å; Q33-V164 HydrophobicContact CG-CB 4.39Å; Q33-V164 HydrophobicContact CG-CG1 4.01Å; Q33-V164 HydrophobicContact CG-CG2 4.06Å
34	F	97.1	Very high	87.8	Confident	3 Å²	3	56.9 Å²	56.9	1%	0.013	30%	0.296	C	S	.	.	H	α-helix	trans	-67.4	-36.9	175.6	177.6	-103	0	0	0	113.5	L30 T31 L32 K53 V55 I64 I66 V164 D165 F168 F169	L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 2.9Å; T31-F34 PolarHBondContact O-N 2.78Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 3.43Å; F34-K53 PolarHBondContact O-NZ 3.36Å; F34-V55 HydrophobicContact CZ-CG1 4.17Å; F34-I64 HydrophobicContact CE1-CD1 4.07Å; F34-I64 HydrophobicContact CE1-CG2 3.89Å; F34-I64 HydrophobicContact CZ-CD1 4.4Å; F34-I64 HydrophobicContact CZ-CG2 4.39Å; F34-I66 HydrophobicContact CD1-CD1 3.6Å; F34-I66 HydrophobicContact CE1-CD1 3.91Å; F34-V164 HydrophobicContact CB-CG1 3.9Å; F34-D165 WeakPolarHBondContact CD2-OD1 3.27Å; F34-F168 HydrophobicContact CB-CD2 3.65Å; F34-F168 HydrophobicContact CB-CE2 3.49Å; F34-F168 VanDerWaalsContact CB-CE2 3.49Å; F34-F168 HydrophobicContact CB-CZ 4.25Å; F34-F168 HydrophobicContact CD1-CD1 4.44Å; F34-F168 HydrophobicContact CD1-CD2 4.03Å; F34-F168 HydrophobicContact CD1-CE2 4.33Å; F34-F168 HydrophobicContact CD1-CG 4.11Å; F34-F168 HydrophobicContact CD2-CB 4.05Å; F34-F168 AromaticContact CD2-CD2 3.57Å; F34-F168 HydrophobicContact CD2-CD2 3.57Å; F34-F168 HydrophobicContact CD2-CE2 4.32Å; F34-F168 HydrophobicContact CD2-CG 4Å; F34-F168 HydrophobicContact CE1-CB 4.35Å; F34-F168 HydrophobicContact CE1-CG 4.3Å; F34-F168 HydrophobicContact CE2-CB 3.78Å; F34-F168 HydrophobicContact CE2-CD2 4.2Å; F34-F168 HydrophobicContact CE2-CG 4.19Å; F34-F168 HydrophobicContact CG-CB 4.42Å; F34-F168 AromaticContact CG-CD2 3.45Å; F34-F168 HydrophobicContact CG-CD2 3.45Å; F34-F168 VanDerWaalsContact CG-CD2 3.45Å; F34-F168 AromaticContact CG-CE2 3.8Å; F34-F168 HydrophobicContact CG-CE2 3.8Å; F34-F168 AromaticContact CG-CG 3.94Å; F34-F168 HydrophobicContact CG-CG 3.94Å; F34-F168 HydrophobicContact CZ-CB 3.93Å; F34-F168 HydrophobicContact CZ-CG 4.33Å; F34-F169 HydrophobicContact CE2-CD2 4.22Å; F34-F169 AromaticContact CE2-CE2 3.89Å; F34-F169 HydrophobicContact CE2-CE2 3.89Å; F34-F169 HydrophobicContact CZ-CE2 4.4Å
35	M	94.7	Very high	86.7	Confident	14 Å²	14	60.2 Å²	60.2	7%	0.069	31%	0.306	C	S	.	.	H	α-helix	trans	-75.3	-47.6	-175.6	-73.4	-64.6	-59.2	0	0	112.3	T31 L32 Y51 K53 I66	T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.31Å; T31-M35 WeakPolarHBondContact O-CG 3.39Å; T31-M35 PolarHBondContact O-N 2.89Å; L32-M35 PolarHBondContact O-N 3.45Å; M35-Y51 HydrophobicContact CG-CD1 4.42Å; M35-Y51 HydrophobicContact CG-CG 4.29Å; M35-K53 HydrophobicContact CE-CB 3.75Å; M35-K53 HydrophobicContact CE-CD 4.48Å; M35-K53 PolarHBondContact O-NZ 3.38Å; M35-K53 HydrophobicContact SD-CB 3.63Å; M35-K53 HydrophobicContact SD-CD 4.1Å; M35-I66 HydrophobicContact SD-CD1 4.19Å
36	Y	93.4	Very high	85.2	Confident	126 Å²	126	61 Å²	61	49%	0.494	31%	0.311	S	S	.	.	H	α-helix	trans	-124	-0.3	-164.9	-53.4	-56.1	0	0	0	114.4	L32 E38 Y51	L32-Y36 HydrophobicContact CD2-CD2 3.84Å; L32-Y36 HydrophobicContact CD2-CE2 3.74Å; L32-Y36 PolarHBondContact O-N 3.42Å; Y36-E38 PolarHBondContact O-N 2.95Å; Y36-Y51 HydrophobicContact CE2-CD1 4.24Å; Y36-Y51 HydrophobicContact CE2-CE1 4.23Å
37	D	92	Very high	83.9	Confident	102 Å²	102	69.7 Å²	69.7	55%	0.545	34%	0.344	S	S	.	.	S	Bend	trans	58.7	32.4	-175.7	-55	-18.4	0	0	0	112.9	Q33 R161	Q33-D37 VanDerWaalsContact O-CA 3.27Å; Q33-D37 WeakPolarHBondContact O-CA 3.36Å; Q33-D37 PolarHBondContact O-N 2.95Å; Q33-D37 VanDerWaalsContact OE1-CA 3.3Å; D37-R161 IonicContact OD1-CZ 3.09Å; D37-R161 IonicContact OD1-NH1 2.61Å; D37-R161 PolarHBondContact OD1-NH1 3.49Å; D37-R161 IonicContact OD1-NH2 2.82Å; D37-R161 PolarHBondContact OD1-NH2 2.84Å
38	E	84.7	Confident	82.8	Confident	118 Å²	118	71.2 Å²	71.2	55%	0.551	36%	0.358	S	S	*	.			trans	-121	143.5	-178.9	-71.3	-177.9	175.4	0	0	111.6	Q33 Y36	Q33-E38 VanDerWaalsContact CA-O 3.22Å; Q33-E38 WeakPolarHBondContact CA-O 3.43Å; Q33-E38 PolarHBondContact N-O 3.35Å; Y36-E38 PolarHBondContact O-N 2.95Å
39	F	83.8	Confident	82.5	Confident	74 Å²	74	73.9 Å²	73.9	33%	0.325	37%	0.371	S	S	.	.			trans	-114.4	114.6	169.3	177.9	-113	0	0	0	109.4	A29 E41 A158 K159	A29-F39 HydrophobicContact CB-CD2 4.43Å; A29-F39 HydrophobicContact CB-CE2 4.2Å; F39-E41 HydrophobicContact CD1-CG 3.88Å; F39-E41 HydrophobicContact CE1-CB 4.44Å; F39-E41 HydrophobicContact CE1-CG 3.24Å; F39-E41 HydrophobicContact CZ-CG 3.96Å; F39-A158 HydrophobicContact CD2-CB 4.2Å; F39-A158 HydrophobicContact CE2-CB 4.21Å; F39-K159 HydrophobicContact CD1-CB 4.27Å; F39-K159 HydrophobicContact CD1-CG 4.05Å; F39-K159 HydrophobicContact CD2-CB 4.41Å; F39-K159 HydrophobicContact CE1-CB 3.93Å; F39-K159 HydrophobicContact CE1-CD 4.16Å; F39-K159 HydrophobicContact CE1-CG 3.76Å; F39-K159 HydrophobicContact CE2-CB 4.14Å; F39-K159 HydrophobicContact CG-CB 4.48Å; F39-K159 HydrophobicContact CZ-CB 3.89Å; F39-K159 HydrophobicContact CZ-CG 4.22Å
40	V	76.6	Confident	82.3	Confident	59 Å²	59	76 Å²	76	36%	0.358	39%	0.385	S	S	.	.			trans	-100.9	111.8	177	-174	0	0	0	0	108.1	L32	L32-V40 HydrophobicContact CD1-CG2 4.48Å
41	E	71.7	Confident	82.2	Confident	136 Å²	136	77 Å²	77	64%	0.636	39%	0.388	S	S	*	.	S	Bend	trans	-69.4	-45.2	179.9	-78	-173.2	168.8	0	0	111.8	F39 Y43 K159	F39-E41 HydrophobicContact CD1-CG 3.88Å; F39-E41 HydrophobicContact CE1-CB 4.44Å; F39-E41 HydrophobicContact CE1-CG 3.24Å; F39-E41 HydrophobicContact CZ-CG 3.96Å; E41-Y43 PolarHBondContact O-N 3.48Å; E41-K159 IonicContact OE1-NZ 2.73Å
42	D	66.8	Low	82.2	Confident	156 Å²	156	83.2 Å²	83.2	83%	0.834	41%	0.412	S	S	*	.	S	Bend	trans	-96.9	78.3	-179.9	-64.7	-41.1	0	0	0	110.4
43	Y	66.8	Low	82.2	Confident	90 Å²	90	85.1 Å²	85.1	35%	0.353	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-93.9	126.2	174	-163.8	-97.3	0	0	0	110.9	L32 E41 T46	L32-Y43 HydrophobicContact CD1-CD2 3.73Å; L32-Y43 HydrophobicContact CD1-CE2 3.52Å; E41-Y43 PolarHBondContact O-N 3.48Å; Y43-T46 VanDerWaalsContact CE1-OG1 3.22Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.48Å
44	E	67	Low	82.3	Confident	165 Å²	165	90.3 Å²	90.3	77%	0.771	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-62.8	140.2	172.7	-67.8	-170.6	162.2	0	0	110.2	T46	E44-T46 PolarHBondContact O-N 3.31Å
45	P	68.8	Low	82.3	Confident	133 Å²	133	90.9 Å²	90.9	86%	0.864	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-47.3	119.1	177.5	-28.9	35	0	0	0	112.5	K47	P45-K47 PolarHBondContact O-N 2.98Å
46	T	62.3	Low	82.4	Confident	16 Å²	16	94.8 Å²	94.8	10%	0.098	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-60	129.1	-172.7	-49.7	0	0	0	0	111.1	S28 Y43 E44 D49 D68 A70	S28-T46 PolarHBondContact OG-OG1 3.14Å; Y43-T46 VanDerWaalsContact CE1-OG1 3.22Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.48Å; E44-T46 PolarHBondContact O-N 3.31Å; T46-D49 HydrophobicContact CG2-CB 4.49Å; T46-D68 WeakPolarHBondContact CG2-OD2 3.22Å; T46-D68 PolarHBondContact OG1-OD2 3.11Å; T46-A70 WeakPolarHBondContact O-CA 3.04Å; T46-A70 WeakPolarHBondContact O-CB 3.3Å
47	K	68.3	Low	82.6	Confident	198 Å²	198	88.8 Å²	88.8	86%	0.861	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-87	117	151.2	-176.2	179.3	-178.7	179.6	0	106.4	P45 D49	P45-K47 PolarHBondContact O-N 2.98Å; K47-D49 PolarHBondContact O-N 3.23Å
48	A	72.9	Confident	82.7	Confident	39 Å²	39	88.1 Å²	88.1	32%	0.322	44%	0.443	S	S	.	.			trans	-36.8	131	-163.9	0	0	0	0	0	114.8	D68	A48-D68 CarbonylContact C-O 3.58Å; A48-D68 VanDerWaalsContact CA-O 3.24Å; A48-D68 WeakPolarHBondContact CA-O 3.27Å
49	D	86.5	Confident	83.2	Confident	73 Å²	73	86 Å²	86	39%	0.39	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.8	-172	-162.3	8.9	0	0	0	111.9	T46 K47 Y51 D68	T46-D49 HydrophobicContact CG2-CB 4.49Å; K47-D49 PolarHBondContact O-N 3.23Å; D49-Y51 HydrophobicContact CB-CE2 3.83Å; D49-Y51 VanDerWaalsContact OD2-CZ 3.23Å; D49-Y51 PolarHBondContact OD2-OH 3.18Å; D49-D68 PolarHBondContact N-O 2.87Å; D49-D68 PolarHBondContact O-N 3.47Å
50	S	91.5	Very high	83.7	Confident	62 Å²	62	87 Å²	87	43%	0.434	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.4	-176.7	167.5	0	0	0	0	111.1	D65 I66	S50-D65 PolarHBondContact OG-OD1 3.36Å; S50-I66 CarbonylContact C-O 3.58Å; S50-I66 WeakPolarHBondContact CA-O 3.46Å
51	Y	94.8	Very high	84.7	Confident	20 Å²	20	88.7 Å²	88.7	8%	0.078	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.1	-177	-62.7	-85.8	0	0	0	110.3	T31 L32 M35 Y36 D49 D65 I66 D68	T31-Y51 HydrophobicContact CG2-CD2 3.49Å; T31-Y51 VanDerWaalsContact CG2-CD2 3.49Å; T31-Y51 HydrophobicContact CG2-CE2 4.04Å; T31-Y51 HydrophobicContact CG2-CG 3.94Å; L32-Y51 HydrophobicContact CD2-CE1 4Å; M35-Y51 HydrophobicContact CG-CD1 4.42Å; M35-Y51 HydrophobicContact CG-CG 4.29Å; Y36-Y51 HydrophobicContact CE2-CD1 4.24Å; Y36-Y51 HydrophobicContact CE2-CE1 4.23Å; D49-Y51 HydrophobicContact CB-CE2 3.83Å; D49-Y51 VanDerWaalsContact OD2-CZ 3.23Å; D49-Y51 PolarHBondContact OD2-OH 3.18Å; Y51-D65 CarbonylContact O-C 3.36Å; Y51-D65 WeakPolarHBondContact O-CA 3.36Å; Y51-I66 PolarHBondContact N-O 3.45Å; Y51-I66 PolarHBondContact O-N 3.1Å; Y51-D68 HydrophobicContact CD2-CB 4.45Å; Y51-D68 HydrophobicContact CE2-CB 4.08Å
52	R	96.7	Very high	86	Confident	132 Å²	132	82.2 Å²	82.2	50%	0.498	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.4	-178.1	-165.3	177.4	-75.7	-171.8	-0.2	112.1	Q63 I64 D65	R52-Q63 HydrophobicContact CG-CG 3.53Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.43Å; R52-I64 WeakPolarHBondContact CG-O 3.43Å; R52-D65 IonicContact CZ-OD2 3.55Å; R52-D65 IonicContact NE-OD2 3.49Å; R52-D65 PolarHBondContact NE-OD2 3.36Å; R52-D65 IonicContact NH2-OD2 3.21Å; R52-D65 PolarHBondContact NH2-OD2 3.26Å
53	K	94.6	Very high	87.4	Confident	59 Å²	59	77 Å²	77	26%	0.257	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.1	-179	-174.4	168.1	177.1	170.9	0	110.3	F34 M35 V55 Q63 I64	F34-K53 PolarHBondContact O-NZ 3.36Å; M35-K53 HydrophobicContact CE-CB 3.75Å; M35-K53 HydrophobicContact CE-CD 4.48Å; M35-K53 PolarHBondContact O-NZ 3.38Å; M35-K53 HydrophobicContact SD-CB 3.63Å; M35-K53 HydrophobicContact SD-CD 4.1Å; K53-V55 HydrophobicContact CD-CG1 4.34Å; K53-V55 HydrophobicContact CG-CG1 3.98Å; K53-Q63 WeakPolarHBondContact O-CA 3.29Å; K53-I64 HydrophobicContact CB-CG2 4.09Å; K53-I64 PolarHBondContact N-O 3.44Å; K53-I64 VanDerWaalsContact N-O 3.07Å; K53-I64 WeakPolarHBondContact O-CG2 3.37Å; K53-I64 PolarHBondContact O-N 2.92Å
54	K	97.4	Very high	88.9	Confident	121 Å²	121	72.7 Å²	72.7	53%	0.526	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	134.6	167.5	-67.7	-178	170.6	-162.5	0	108.7	L12 E61 V62	L12-K54 HydrophobicContact CD1-CD 3.98Å; L12-K54 HydrophobicContact CD1-CG 4.24Å; K54-E61 WeakPolarHBondContact CD-OE1 3.24Å; K54-E61 IonicContact NZ-OE1 3.16Å; K54-V62 WeakPolarHBondContact CA-O 3.48Å
55	V	97.1	Very high	90.4	Very high	15 Å²	15	65.8 Å²	65.8	9%	0.091	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.3	-177.4	-62.7	0	0	0	0	109.9	F34 K53 V62 I64 F169 M172	F34-V55 HydrophobicContact CZ-CG1 4.17Å; K53-V55 HydrophobicContact CD-CG1 4.34Å; K53-V55 HydrophobicContact CG-CG1 3.98Å; V55-V62 HydrophobicContact CG2-CG2 3.68Å; V55-V62 PolarHBondContact N-O 3.07Å; V55-V62 PolarHBondContact O-N 2.93Å; V55-V62 VanDerWaalsContact O-O 3.11Å; V55-I64 HydrophobicContact CG1-CG2 4.37Å; V55-I64 HydrophobicContact CG2-CG2 4.44Å; V55-F169 HydrophobicContact CB-CE1 4.4Å; V55-F169 HydrophobicContact CB-CZ 4.12Å; V55-F169 HydrophobicContact CG2-CE1 4.44Å; V55-M172 HydrophobicContact CG2-CE 3.92Å; V55-M172 HydrophobicContact CG2-SD 4.04Å
56	V	97.5	Very high	91.8	Very high	96 Å²	96	59.4 Å²	59.4	58%	0.582	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	105.8	174.3	177.9	0	0	0	0	108.5	E60 F169	V56-E60 CarbonylContact C-O 3.5Å; V56-E60 WeakPolarHBondContact CA-O 3.37Å; V56-F169 WeakPolarHBondContact O-CE1 3.22Å
57	L	96.8	Very high	93.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	106	178.9	178.5	66.6	0	0	0	109.9	G59 E60 V62 F169 M172 R173 R176	L57-G59 PolarHBondContact O-N 3.16Å; L57-E60 PolarHBondContact N-O 2.8Å; L57-E60 PolarHBondContact O-N 3.08Å; L57-E60 VanDerWaalsContact O-N 3.08Å; L57-V62 HydrophobicContact CB-CG1 4.35Å; L57-V62 HydrophobicContact CB-CG2 3.62Å; L57-V62 HydrophobicContact CD2-CG2 4.29Å; L57-F169 HydrophobicContact CD1-CD1 3.62Å; L57-F169 HydrophobicContact CD1-CE1 4.32Å; L57-M172 HydrophobicContact CD1-CB 4.24Å; L57-M172 HydrophobicContact CD1-CE 4.44Å; L57-M172 HydrophobicContact CD2-CB 3.82Å; L57-R173 HydrophobicContact CD1-CG 3.9Å; L57-R176 PolarHBondContact O-NH1 2.8Å
58	D	95.1	Very high	94.5	Very high	89 Å²	89	50.3 Å²	50.3	48%	0.476	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	41.4	180	-49.2	-35.6	0	0	0	113.2	R173 R176	D58-R173 IonicContact OD1-CZ 2.75Å; D58-R173 IonicContact OD1-NE 2.98Å; D58-R173 PolarHBondContact OD1-NE 2.81Å; D58-R173 VanDerWaalsContact OD1-NE 3.09Å; D58-R173 IonicContact OD1-NH2 2.75Å; D58-R173 PolarHBondContact OD1-NH2 2.73Å; D58-R173 IonicContact OD2-NE 3.08Å; D58-R173 PolarHBondContact OD2-NE 3.39Å; D58-R176 IonicContact OD2-CZ 3.08Å; D58-R176 IonicContact OD2-NH1 3.86Å; D58-R176 IonicContact OD2-NH2 2.8Å; D58-R176 PolarHBondContact OD2-NH2 2.73Å
59	G	94.7	Very high	95.2	Very high	72 Å²	72	48.9 Å²	48.9	74%	0.742	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-4.6	179	0	0	0	0	0	115.5	L57	L57-G59 PolarHBondContact O-N 3.16Å
60	E	95	Very high	94.7	Very high	96 Å²	96	47 Å²	47	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.1	176.7	-170.8	178.6	178.3	0	0	111.1	V56 L57 V62	V56-E60 CarbonylContact C-O 3.5Å; V56-E60 WeakPolarHBondContact CA-O 3.37Å; L57-E60 PolarHBondContact N-O 2.8Å; L57-E60 PolarHBondContact O-N 3.08Å; L57-E60 VanDerWaalsContact O-N 3.08Å; E60-V62 HydrophobicContact CB-CG1 4.46Å; E60-V62 HydrophobicContact CG-CG1 4.15Å; E60-V62 PolarHBondContact O-N 2.98Å
61	E	97.3	Very high	93.5	Very high	95 Å²	95	44.9 Å²	44.9	44%	0.444	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.3	171.6	-168	-174.7	-176.7	0	0	109.3	L12 K54	L12-E61 HydrophobicContact CD1-CG 4.27Å; L12-E61 HydrophobicContact CD2-CB 3.99Å; L12-E61 HydrophobicContact CD2-CG 3.9Å; L12-E61 WeakPolarHBondContact CD2-O 3.35Å; K54-E61 WeakPolarHBondContact CD-OE1 3.24Å; K54-E61 IonicContact NZ-OE1 3.16Å
62	V	97.4	Very high	92	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	168.4	178	-56.6	0	0	0	0	109.9	A13 K54 V55 L57 E60 M172	A13-V62 HydrophobicContact CB-CB 4.48Å; A13-V62 HydrophobicContact CB-CG1 4.1Å; K54-V62 WeakPolarHBondContact CA-O 3.48Å; V55-V62 HydrophobicContact CG2-CG2 3.68Å; V55-V62 PolarHBondContact N-O 3.07Å; V55-V62 PolarHBondContact O-N 2.93Å; V55-V62 VanDerWaalsContact O-O 3.11Å; L57-V62 HydrophobicContact CB-CG1 4.35Å; L57-V62 HydrophobicContact CB-CG2 3.62Å; L57-V62 HydrophobicContact CD2-CG2 4.29Å; E60-V62 HydrophobicContact CB-CG1 4.46Å; E60-V62 HydrophobicContact CG-CG1 4.15Å; E60-V62 PolarHBondContact O-N 2.98Å; V62-M172 HydrophobicContact CG2-SD 4.37Å
63	Q	97.8	Very high	90.5	Very high	46 Å²	46	46.2 Å²	46.2	22%	0.215	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.6	174.8	-168.5	164.3	46.9	0	0	109.5	A13 L14 H15 R52 K53	A13-Q63 PolarHBondContact O-N 3.27Å; L14-Q63 CarbonylContact C-O 3.53Å; L14-Q63 VanDerWaalsContact CA-O 3.29Å; L14-Q63 WeakPolarHBondContact CA-O 3.33Å; L14-Q63 HydrophobicContact CD1-CB 3.91Å; L14-Q63 HydrophobicContact CD1-CG 3.79Å; H15-Q63 PolarHBondContact N-O 3.22Å; R52-Q63 HydrophobicContact CG-CG 3.53Å; K53-Q63 WeakPolarHBondContact O-CA 3.29Å
64	I	98.2	Very high	88.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.9	171.4	-171.6	177.1	0	0	0	109	H15 V17 F34 R52 K53 V55 I66 F168 M172	H15-I64 WeakPolarHBondContact O-CA 3.3Å; V17-I64 HydrophobicContact CG2-CD1 3.95Å; V17-I64 HydrophobicContact CG2-CG1 4.11Å; F34-I64 HydrophobicContact CE1-CD1 4.07Å; F34-I64 HydrophobicContact CE1-CG2 3.89Å; F34-I64 HydrophobicContact CZ-CD1 4.4Å; F34-I64 HydrophobicContact CZ-CG2 4.39Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.43Å; R52-I64 WeakPolarHBondContact CG-O 3.43Å; K53-I64 HydrophobicContact CB-CG2 4.09Å; K53-I64 PolarHBondContact N-O 3.44Å; K53-I64 VanDerWaalsContact N-O 3.07Å; K53-I64 WeakPolarHBondContact O-CG2 3.37Å; K53-I64 PolarHBondContact O-N 2.92Å; V55-I64 HydrophobicContact CG1-CG2 4.37Å; V55-I64 HydrophobicContact CG2-CG2 4.44Å; I64-I66 HydrophobicContact CD1-CD1 3.99Å; I64-I66 HydrophobicContact CD1-CG1 3.78Å; I64-I66 HydrophobicContact CG1-CD1 4.45Å; I64-I66 HydrophobicContact CG1-CG1 3.84Å; I64-F168 HydrophobicContact CD1-CB 4.31Å; I64-F168 HydrophobicContact CD1-CD1 3.97Å; I64-M172 HydrophobicContact CB-SD 3.76Å; I64-M172 HydrophobicContact CD1-CE 4.24Å; I64-M172 HydrophobicContact CD1-CG 4.09Å; I64-M172 HydrophobicContact CD1-SD 3.81Å; I64-M172 HydrophobicContact CG1-CG 4.42Å; I64-M172 HydrophobicContact CG1-SD 3.98Å
65	D	97.8	Very high	87.6	Confident	19 Å²	19	53 Å²	53	10%	0.102	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	110.5	173.7	-170.3	-21.6	0	0	0	107.7	L14 H15 K16 V17 S50 Y51 R52	L14-D65 HydrophobicContact CD1-CB 3.93Å; L14-D65 HydrophobicContact CG-CB 4.48Å; H15-D65 PolarHBondContact O-N 3.02Å; K16-D65 CarbonylContact C-O 3.48Å; K16-D65 WeakPolarHBondContact CA-O 3.45Å; K16-D65 HydrophobicContact CG-CB 4.41Å; V17-D65 PolarHBondContact N-O 2.98Å; S50-D65 PolarHBondContact OG-OD1 3.36Å; Y51-D65 CarbonylContact O-C 3.36Å; Y51-D65 WeakPolarHBondContact O-CA 3.36Å; R52-D65 IonicContact CZ-OD2 3.55Å; R52-D65 IonicContact NE-OD2 3.49Å; R52-D65 PolarHBondContact NE-OD2 3.36Å; R52-D65 IonicContact NH2-OD2 3.21Å; R52-D65 PolarHBondContact NH2-OD2 3.26Å
66	I	97.8	Very high	86.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.6	-175.8	-53.4	169.2	0	0	0	107.9	V17 M19 T31 F34 M35 S50 Y51 I64 F168	V17-I66 HydrophobicContact CB-CG1 4.47Å; V17-I66 CarbonylContact O-C 3.55Å; V17-I66 WeakPolarHBondContact O-CA 3.49Å; M19-I66 HydrophobicContact CG-CG2 3.67Å; M19-I66 HydrophobicContact SD-CG2 4.01Å; T31-I66 HydrophobicContact CG2-CB 4.23Å; T31-I66 HydrophobicContact CG2-CD1 4.28Å; T31-I66 HydrophobicContact CG2-CG2 3.77Å; F34-I66 HydrophobicContact CD1-CD1 3.6Å; F34-I66 HydrophobicContact CE1-CD1 3.91Å; M35-I66 HydrophobicContact SD-CD1 4.19Å; S50-I66 CarbonylContact C-O 3.58Å; S50-I66 WeakPolarHBondContact CA-O 3.46Å; Y51-I66 PolarHBondContact N-O 3.45Å; Y51-I66 PolarHBondContact O-N 3.1Å; I64-I66 HydrophobicContact CD1-CD1 3.99Å; I64-I66 HydrophobicContact CD1-CG1 3.78Å; I64-I66 HydrophobicContact CG1-CD1 4.45Å; I64-I66 HydrophobicContact CG1-CG1 3.84Å; I66-F168 HydrophobicContact CD1-CD1 3.91Å; I66-F168 HydrophobicContact CD1-CE1 3.57Å; I66-F168 HydrophobicContact CD1-CZ 4.17Å; I66-F168 HydrophobicContact CG1-CD1 4.41Å; I66-F168 HydrophobicContact CG1-CE1 4.12Å; I66-F168 HydrophobicContact CG2-CE1 4.17Å
67	L	95.6	Very high	85.6	Confident	22 Å²	22	53.2 Å²	53.2	12%	0.115	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	109.1	167.5	-174.9	69.4	0	0	0	109.3	V17 I18 M19 T69 Y82	V17-L67 PolarHBondContact O-N 2.88Å; I18-L67 HydrophobicContact CD1-CB 3.66Å; I18-L67 HydrophobicContact CD1-CD2 3.88Å; I18-L67 HydrophobicContact CD1-CG 4.43Å; I18-L67 HydrophobicContact CG2-CD2 4.39Å; M19-L67 PolarHBondContact N-O 2.93Å; L67-T69 HydrophobicContact CD2-CG2 4.31Å; L67-T69 HydrophobicContact CG-CG2 4.3Å; L67-Y82 HydrophobicContact CD2-CD1 3.54Å; L67-Y82 HydrophobicContact CD2-CD2 3.85Å; L67-Y82 HydrophobicContact CD2-CE1 4.12Å; L67-Y82 HydrophobicContact CD2-CE2 4.37Å; L67-Y82 HydrophobicContact CD2-CG 3.4Å; L67-Y82 VanDerWaalsContact CD2-CG 3.4Å
68	D	91.6	Very high	84.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119	168.7	-175.9	38.6	0	0	0	109.4	K27 S28 T46 A48 D49 Y51	K27-D68 VanDerWaalsContact CB-OD1 3.25Å; K27-D68 WeakPolarHBondContact CB-OD1 3.41Å; S28-D68 WeakPolarHBondContact CA-OD2 3.47Å; S28-D68 WeakPolarHBondContact CB-OD2 3.49Å; S28-D68 PolarHBondContact N-OD1 3.47Å; S28-D68 PolarHBondContact OG-OD2 2.9Å; T46-D68 WeakPolarHBondContact CG2-OD2 3.22Å; T46-D68 PolarHBondContact OG1-OD2 3.11Å; A48-D68 CarbonylContact C-O 3.58Å; A48-D68 VanDerWaalsContact CA-O 3.24Å; A48-D68 WeakPolarHBondContact CA-O 3.27Å; D49-D68 PolarHBondContact N-O 2.87Å; D49-D68 PolarHBondContact O-N 3.47Å; Y51-D68 HydrophobicContact CD2-CB 4.45Å; Y51-D68 HydrophobicContact CE2-CB 4.08Å
69	T	87.3	Confident	84.3	Confident	8 Å²	8	54.9 Å²	54.9	5%	0.049	31%	0.306	C	S	.	.			trans	-98.7	153.3	-178.8	66.9	0	0	0	0	110.6	I18 M19 K27 L67 G71 E73	I18-T69 HydrophobicContact CG2-CG2 4.17Å; M19-T69 VanDerWaalsContact O-CG2 3.3Å; M19-T69 WeakPolarHBondContact O-CG2 3.37Å; M19-T69 PolarHBondContact O-OG1 3.49Å; K27-T69 WeakPolarHBondContact CE-O 3.38Å; L67-T69 HydrophobicContact CD2-CG2 4.31Å; L67-T69 HydrophobicContact CG-CG2 4.3Å; T69-G71 PolarHBondContact O-N 3.27Å; T69-E73 WeakPolarHBondContact CB-OE1 3.37Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.25Å
70	A	77.1	Confident	84.1	Confident	35 Å²	35	53.1 Å²	53.1	29%	0.289	28%	0.279	S	S	.	.			trans	-61.9	-26.9	174.8	0	0	0	0	0	112.4	K27 T46 Q72	K27-A70 PolarHBondContact NZ-O 2.82Å; T46-A70 WeakPolarHBondContact O-CA 3.04Å; T46-A70 WeakPolarHBondContact O-CB 3.3Å; A70-Q72 VanDerWaalsContact C-N 3.25Å
71	G	66.1	Low	83.8	Confident	16 Å²	16	53 Å²	53	17%	0.165	28%	0.282	C	S	.	.	S	Bend	trans	77.6	7.3	-169.8	0	0	0	0	0	114.3	G21 T69	G21-G71 VanDerWaalsContact O-CA 3.27Å; G21-G71 WeakPolarHBondContact O-CA 3.49Å; T69-G71 PolarHBondContact O-N 3.27Å
72	Q	64	Low	83.4	Confident	146 Å²	146	51.7 Å²	51.7	68%	0.682	27%	0.273	S	S	*	.			trans	-138.8	42.3	178.5	-66.8	-175.4	-19.3	0	0	110.7	A70 D74	A70-Q72 VanDerWaalsContact C-N 3.25Å; Q72-D74 PolarHBondContact O-N 2.89Å
73	E	64.1	Low	83.2	Confident	34 Å²	34	51.9 Å²	51.9	16%	0.159	27%	0.274	C	S	.	.			trans	-71.7	97.6	-178.5	-64	-173	-173.9	0	0	110.7	T69 Y75 R79 Y82	T69-E73 WeakPolarHBondContact CB-OE1 3.37Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.25Å; E73-Y75 PolarHBondContact O-N 3.42Å; E73-R79 HydrophobicContact CB-CB 4.37Å; E73-R79 WeakPolarHBondContact OE2-CA 3.34Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.39Å; E73-Y82 VanDerWaalsContact OE2-CD2 3.25Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.46Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.48Å
74	D	60.1	Low	83	Confident	152 Å²	152	56.1 Å²	56.1	81%	0.813	29%	0.288	S	S	*	.			trans	-63.9	-21.3	-177.7	-67.8	-36.2	0	0	0	113.4	Q72	Q72-D74 PolarHBondContact O-N 2.89Å
75	Y	70.6	Confident	82.7	Confident	170 Å²	170	58.8 Å²	58.8	67%	0.667	31%	0.307	S	S	*	.			trans	-100.7	100.1	-180	-68.2	-81.4	0	0	0	111.7	E73 A77 I78 R79	E73-Y75 PolarHBondContact O-N 3.42Å; Y75-A77 PolarHBondContact O-N 3.28Å; Y75-A77 VanDerWaalsContact O-N 3.09Å; Y75-I78 HydrophobicContact CG-CD1 4.41Å; Y75-I78 PolarHBondContact O-N 3.31Å; Y75-R79 PolarHBondContact O-N 3.42Å
76	A	75.5	Confident	82.7	Confident	46 Å²	46	58 Å²	58	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-51.1	-36.8	179.9	0	0	0	0	0	114	I78 R79 D80	A76-I78 VanDerWaalsContact C-N 3.33Å; A76-I78 PolarHBondContact O-N 3.4Å; A76-R79 PolarHBondContact O-N 3.06Å; A76-D80 WeakPolarHBondContact O-CB 3.23Å; A76-D80 VanDerWaalsContact O-CG 3.23Å; A76-D80 PolarHBondContact O-N 3.02Å
77	A	78.8	Confident	82.7	Confident	70 Å²	70	60.7 Å²	60.7	58%	0.579	32%	0.315	S	S	*	.	H	α-helix	trans	-65.2	-34.4	179.4	0	0	0	0	0	113.5	Y75 N81	Y75-A77 PolarHBondContact O-N 3.28Å; Y75-A77 VanDerWaalsContact O-N 3.09Å; A77-N81 VanDerWaalsContact O-CG 3.25Å; A77-N81 PolarHBondContact O-N 3.04Å; A77-N81 PolarHBondContact O-ND2 3.1Å
78	I	79.1	Confident	82.8	Confident	75 Å²	75	59.6 Å²	59.6	39%	0.385	31%	0.31	S	S	.	.	H	α-helix	trans	-70.6	-49.1	178	-66.1	-179.3	0	0	0	109	Y75 A76 D80 N81 Y82	Y75-I78 HydrophobicContact CG-CD1 4.41Å; Y75-I78 PolarHBondContact O-N 3.31Å; A76-I78 VanDerWaalsContact C-N 3.33Å; A76-I78 PolarHBondContact O-N 3.4Å; I78-D80 PolarHBondContact O-N 3.09Å; I78-N81 WeakPolarHBondContact O-CB 3.39Å; I78-N81 PolarHBondContact O-N 3.32Å; I78-N81 VanDerWaalsContact O-N 3.08Å; I78-Y82 HydrophobicContact CG2-CD2 4.1Å; I78-Y82 HydrophobicContact CG2-CE1 4.36Å; I78-Y82 HydrophobicContact CG2-CE2 3.25Å; I78-Y82 VanDerWaalsContact CG2-OH 3.32Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.13Å; I78-Y82 WeakPolarHBondContact O-CD2 3.32Å; I78-Y82 PolarHBondContact O-N 2.97Å; I78-Y82 VanDerWaalsContact O-N 3.16Å
79	R	84.6	Confident	83.1	Confident	49 Å²	49	59.6 Å²	59.6	19%	0.185	31%	0.31	C	S	.	.	H	α-helix	trans	-56.3	-47.1	176.5	-175.3	-178.6	63.1	-138.6	1.9	112.5	E73 Y75 A76 N81 Y82 F83	E73-R79 HydrophobicContact CB-CB 4.37Å; E73-R79 WeakPolarHBondContact OE2-CA 3.34Å; Y75-R79 PolarHBondContact O-N 3.42Å; A76-R79 PolarHBondContact O-N 3.06Å; R79-N81 PolarHBondContact O-N 3.49Å; R79-Y82 PolarHBondContact O-N 3.37Å; R79-Y82 VanDerWaalsContact O-N 3.12Å; R79-F83 HydrophobicContact CG-CD1 4.49Å; R79-F83 HydrophobicContact CG-CD2 4.13Å; R79-F83 HydrophobicContact CG-CE1 3.95Å; R79-F83 HydrophobicContact CG-CE2 3.54Å; R79-F83 HydrophobicContact CG-CZ 3.44Å; R79-F83 VanDerWaalsContact CG-CZ 3.44Å; R79-F83 WeakPolarHBondContact O-CG 3.32Å; R79-F83 PolarHBondContact O-N 3.19Å
80	D	89.8	Confident	83.7	Confident	35 Å²	35	59.2 Å²	59.2	19%	0.187	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-32.8	178.8	-74.7	6.7	0	0	0	111.9	A76 I78 R84 V114	A76-D80 WeakPolarHBondContact O-CB 3.23Å; A76-D80 VanDerWaalsContact O-CG 3.23Å; A76-D80 PolarHBondContact O-N 3.02Å; I78-D80 PolarHBondContact O-N 3.09Å; D80-R84 VanDerWaalsContact O-CB 3.29Å; D80-R84 WeakPolarHBondContact O-CB 3.41Å; D80-R84 PolarHBondContact O-N 3.45Å; D80-R84 PolarHBondContact O-NH1 3.1Å; D80-V114 HydrophobicContact CB-CG1 4.48Å; D80-V114 HydrophobicContact CB-CG2 4.16Å; D80-V114 WeakPolarHBondContact O-CG1 3.39Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.22Å
81	N	88.7	Confident	84.7	Confident	93 Å²	93	57.5 Å²	57.5	50%	0.497	29%	0.294	S	S	.	.	H	α-helix	trans	-66.8	-42.4	174.5	-73.5	-24.1	0	0	0	111.8	A77 I78 R79 R84 S85	A77-N81 VanDerWaalsContact O-CG 3.25Å; A77-N81 PolarHBondContact O-N 3.04Å; A77-N81 PolarHBondContact O-ND2 3.1Å; I78-N81 WeakPolarHBondContact O-CB 3.39Å; I78-N81 PolarHBondContact O-N 3.32Å; I78-N81 VanDerWaalsContact O-N 3.08Å; R79-N81 PolarHBondContact O-N 3.49Å; N81-R84 PolarHBondContact O-N 3.29Å; N81-R84 PolarHBondContact OD1-NH1 3.2Å; N81-R84 VanDerWaalsContact OD1-NH1 3.13Å; N81-S85 WeakPolarHBondContact O-CB 3.4Å; N81-S85 PolarHBondContact O-N 3.48Å; N81-S85 PolarHBondContact O-OG 3.27Å
82	Y	89.1	Confident	86.2	Confident	68 Å²	68	56.8 Å²	56.8	27%	0.267	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-46.7	175.5	-57.8	-35.5	0	0	0	111.3	L67 E73 I78 R79 R84 S85 G86	L67-Y82 HydrophobicContact CD2-CD1 3.54Å; L67-Y82 HydrophobicContact CD2-CD2 3.85Å; L67-Y82 HydrophobicContact CD2-CE1 4.12Å; L67-Y82 HydrophobicContact CD2-CE2 4.37Å; L67-Y82 HydrophobicContact CD2-CG 3.4Å; L67-Y82 VanDerWaalsContact CD2-CG 3.4Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.39Å; E73-Y82 VanDerWaalsContact OE2-CD2 3.25Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.46Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.48Å; I78-Y82 HydrophobicContact CG2-CD2 4.1Å; I78-Y82 HydrophobicContact CG2-CE1 4.36Å; I78-Y82 HydrophobicContact CG2-CE2 3.25Å; I78-Y82 VanDerWaalsContact CG2-OH 3.32Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.13Å; I78-Y82 WeakPolarHBondContact O-CD2 3.32Å; I78-Y82 PolarHBondContact O-N 2.97Å; I78-Y82 VanDerWaalsContact O-N 3.16Å; R79-Y82 PolarHBondContact O-N 3.37Å; R79-Y82 VanDerWaalsContact O-N 3.12Å; Y82-R84 PolarHBondContact O-N 2.87Å; Y82-S85 PolarHBondContact O-N 3.32Å; Y82-S85 VanDerWaalsContact O-N 3.16Å; Y82-S85 PolarHBondContact O-OG 3.33Å; Y82-G86 PolarHBondContact O-N 2.82Å
83	F	92.9	Very high	87.9	Confident	5 Å²	5	49.8 Å²	49.8	2%	0.022	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-41.5	177.5	-65.8	-7.6	0	0	0	112.5	V20 R79 S85 F89 Q110 I111 V114 K115	V20-F83 HydrophobicContact CG1-CE1 3.67Å; V20-F83 HydrophobicContact CG1-CZ 4.24Å; R79-F83 HydrophobicContact CG-CD1 4.49Å; R79-F83 HydrophobicContact CG-CD2 4.13Å; R79-F83 HydrophobicContact CG-CE1 3.95Å; R79-F83 HydrophobicContact CG-CE2 3.54Å; R79-F83 HydrophobicContact CG-CZ 3.44Å; R79-F83 VanDerWaalsContact CG-CZ 3.44Å; R79-F83 WeakPolarHBondContact O-CG 3.32Å; R79-F83 PolarHBondContact O-N 3.19Å; F83-S85 VanDerWaalsContact C-N 3.31Å; F83-S85 PolarHBondContact O-N 2.94Å; F83-F89 HydrophobicContact CB-CE1 4.38Å; F83-F89 HydrophobicContact CB-CZ 4.46Å; F83-F89 AromaticContact CD1-CE1 3.8Å; F83-F89 HydrophobicContact CD1-CE1 3.8Å; F83-F89 HydrophobicContact CE1-CE1 4.49Å; F83-F89 HydrophobicContact CG-CE1 4.33Å; F83-F89 WeakPolarHBondContact O-CZ 3.33Å; F83-Q110 HydrophobicContact CD2-CB 4.5Å; F83-Q110 HydrophobicContact CE2-CB 3.89Å; F83-I111 HydrophobicContact CD1-CG1 4.19Å; F83-I111 HydrophobicContact CD2-CG1 4.01Å; F83-I111 HydrophobicContact CE1-CG1 4.18Å; F83-I111 HydrophobicContact CE2-CG1 4Å; F83-I111 HydrophobicContact CG-CG1 4.1Å; F83-I111 HydrophobicContact CZ-CG1 4.08Å; F83-V114 HydrophobicContact CB-CB 4.11Å; F83-V114 HydrophobicContact CB-CG1 3.83Å; F83-V114 HydrophobicContact CD2-CG2 4.34Å; F83-K115 WeakPolarHBondContact O-CE 3.3Å; F83-K115 PolarHBondContact O-NZ 3.42Å
84	R	94.4	Very high	89.5	Confident	135 Å²	135	48.2 Å²	48.2	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-42.3	175.8	-166.1	174.4	-62.9	99.5	4.9	111.5	D80 N81 Y82 V114 K115	D80-R84 VanDerWaalsContact O-CB 3.29Å; D80-R84 WeakPolarHBondContact O-CB 3.41Å; D80-R84 PolarHBondContact O-N 3.45Å; D80-R84 PolarHBondContact O-NH1 3.1Å; N81-R84 PolarHBondContact O-N 3.29Å; N81-R84 PolarHBondContact OD1-NH1 3.2Å; N81-R84 VanDerWaalsContact OD1-NH1 3.13Å; Y82-R84 PolarHBondContact O-N 2.87Å; R84-V114 HydrophobicContact CB-CG1 4.07Å; R84-K115 PolarHBondContact O-NZ 3.1Å
85	S	92.9	Very high	91.3	Very high	56 Å²	56	41 Å²	41	39%	0.392	21%	0.207	S	C	.	.	H	α-helix	trans	-80.1	-25.8	-175.6	77.1	0	0	0	0	115.4	K16 N81 Y82 F83	K16-S85 WeakPolarHBondContact CD-O 3.42Å; N81-S85 WeakPolarHBondContact O-CB 3.4Å; N81-S85 PolarHBondContact O-N 3.48Å; N81-S85 PolarHBondContact O-OG 3.27Å; Y82-S85 PolarHBondContact O-N 3.32Å; Y82-S85 VanDerWaalsContact O-N 3.16Å; Y82-S85 PolarHBondContact O-OG 3.33Å; F83-S85 VanDerWaalsContact C-N 3.31Å; F83-S85 PolarHBondContact O-N 2.94Å
86	G	96.1	Very high	92.7	Very high	1 Å²	1	34 Å²	34	1%	0.01	18%	0.182	C	C	.	.			trans	-67.5	144.8	179	0	0	0	0	0	112	Y82 K115	Y82-G86 PolarHBondContact O-N 2.82Å; G86-K115 WeakPolarHBondContact O-CE 3.46Å; G86-K115 PolarHBondContact O-NZ 3.03Å
87	E	97.9	Very high	93.7	Very high	57 Å²	57	35.2 Å²	35.2	27%	0.266	18%	0.18	S	C	.	.	S	Bend	trans	-102.7	-24.1	179.5	-65	173.2	151.1	0	0	112.1	H15 K16 I175 K179	H15-E87 WeakPolarHBondContact CA-OE2 3.43Å; K16-E87 HydrophobicContact CB-CB 4.31Å; K16-E87 HydrophobicContact CB-CG 4.04Å; K16-E87 PolarHBondContact N-OE2 3.33Å; K16-E87 WeakPolarHBondContact O-CA 3.4Å; K16-E87 PolarHBondContact O-N 3.08Å; E87-I175 HydrophobicContact CB-CD1 4.18Å; E87-I175 HydrophobicContact CB-CG1 4.26Å; E87-I175 HydrophobicContact CB-CG2 3.75Å; E87-K179 WeakPolarHBondContact OE1-CE 3.42Å; E87-K179 IonicContact OE1-NZ 2.73Å; E87-K179 PolarHBondContact OE1-NZ 2.86Å; E87-K179 VanDerWaalsContact OE2-CE 3.25Å; E87-K179 WeakPolarHBondContact OE2-CE 3.23Å; E87-K179 IonicContact OE2-NZ 3.47Å; E87-K179 PolarHBondContact OE2-NZ 3.07Å
88	G	98.1	Very high	94.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	162.6	169.8	0	0	0	0	0	112.3	K16 V17 I18 P121	K16-G88 PolarHBondContact O-N 2.99Å; K16-G88 VanDerWaalsContact O-N 3.1Å; V17-G88 WeakPolarHBondContact CA-O 3.35Å; I18-G88 PolarHBondContact N-O 3.42Å; G88-P121 VanDerWaalsContact CA-O 3.24Å; G88-P121 WeakPolarHBondContact CA-O 3.4Å
89	F	98.4	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.2	-169.9	-60.5	-93	0	0	0	111.3	I18 V20 F83 I111 K115 V120 P121 F122 L123	I18-F89 HydrophobicContact CB-CD1 3.76Å; I18-F89 HydrophobicContact CB-CE1 3.83Å; I18-F89 HydrophobicContact CG1-CD1 4.23Å; I18-F89 HydrophobicContact CG1-CE1 3.83Å; I18-F89 HydrophobicContact CG1-CZ 4.41Å; I18-F89 HydrophobicContact CG2-CD1 4.35Å; I18-F89 HydrophobicContact CG2-CE1 4.32Å; I18-F89 WeakPolarHBondContact O-CA 3.34Å; V20-F89 HydrophobicContact CG1-CD1 4.34Å; F83-F89 HydrophobicContact CB-CE1 4.38Å; F83-F89 HydrophobicContact CB-CZ 4.46Å; F83-F89 AromaticContact CD1-CE1 3.8Å; F83-F89 HydrophobicContact CD1-CE1 3.8Å; F83-F89 HydrophobicContact CE1-CE1 4.49Å; F83-F89 HydrophobicContact CG-CE1 4.33Å; F83-F89 WeakPolarHBondContact O-CZ 3.33Å; F89-I111 HydrophobicContact CB-CD1 4.05Å; F89-I111 HydrophobicContact CD1-CD1 3.47Å; F89-I111 VanDerWaalsContact CD1-CD1 3.47Å; F89-I111 HydrophobicContact CD1-CG1 3.89Å; F89-I111 HydrophobicContact CD1-CG2 4.28Å; F89-I111 HydrophobicContact CD2-CG2 3.81Å; F89-I111 HydrophobicContact CE1-CD1 4.08Å; F89-I111 HydrophobicContact CE1-CG1 3.96Å; F89-I111 HydrophobicContact CE1-CG2 4.18Å; F89-I111 HydrophobicContact CE2-CG2 3.73Å; F89-I111 HydrophobicContact CG-CD1 3.75Å; F89-I111 HydrophobicContact CG-CG1 4.37Å; F89-I111 HydrophobicContact CG-CG2 4.11Å; F89-I111 HydrophobicContact CZ-CG1 4.5Å; F89-I111 HydrophobicContact CZ-CG2 3.92Å; F89-K115 HydrophobicContact CE2-CG 4.44Å; F89-V120 HydrophobicContact CD2-CG2 3.79Å; F89-V120 HydrophobicContact CE2-CG2 3.6Å; F89-P121 PolarHBondContact N-O 3.28Å; F89-F122 HydrophobicContact CB-CD2 3.83Å; F89-F122 HydrophobicContact CB-CE2 4.36Å; F89-F122 WeakPolarHBondContact O-CA 3.34Å; F89-L123 PolarHBondContact O-N 2.61Å
90	L	98.6	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	108.4	163.8	-67.2	-174	0	0	0	107.9	V17 I18 M19 V20 V92 L123 V125 V167 F168 L171	V17-L90 HydrophobicContact CG1-CD1 4.38Å; V17-L90 HydrophobicContact CG1-CG 4.15Å; I18-L90 PolarHBondContact O-N 2.99Å; M19-L90 HydrophobicContact CE-CB 4.31Å; M19-L90 HydrophobicContact CE-CD1 4.13Å; M19-L90 HydrophobicContact SD-CB 3.91Å; M19-L90 HydrophobicContact SD-CD1 3.79Å; M19-L90 HydrophobicContact SD-CG 4.26Å; V20-L90 PolarHBondContact N-O 3.19Å; L90-V92 HydrophobicContact CB-CG2 4.32Å; L90-V92 PolarHBondContact O-N 3.08Å; L90-L123 HydrophobicContact CD2-CB 3.74Å; L90-L123 HydrophobicContact CD2-CD2 4.25Å; L90-V125 HydrophobicContact CD2-CG2 4.11Å; L90-V167 HydrophobicContact CD1-CB 4.37Å; L90-V167 HydrophobicContact CD1-CG2 4.05Å; L90-V167 HydrophobicContact CD2-CB 4.18Å; L90-F168 HydrophobicContact CD1-CD1 3.68Å; L90-F168 HydrophobicContact CD1-CE1 3.52Å; L90-F168 HydrophobicContact CD1-CE2 4.39Å; L90-F168 HydrophobicContact CD1-CG 4.2Å; L90-F168 HydrophobicContact CD1-CZ 3.9Å; L90-L171 HydrophobicContact CD2-CB 4.06Å; L90-L171 HydrophobicContact CD2-CD2 3.67Å; L90-L171 HydrophobicContact CD2-CG 4.39Å; L90-L171 HydrophobicContact CG-CD2 3.7Å
91	C	98.3	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	99.3	176.6	-170.3	0	0	0	0	109.6	V20 F122 L123 V125	V20-C91 HydrophobicContact CG2-CB 3.88Å; C91-F122 HydrophobicContact CB-CE1 3.71Å; C91-F122 HydrophobicContact CB-CE2 3.79Å; C91-F122 HydrophobicContact CB-CZ 3.18Å; C91-L123 PolarHBondContact N-O 2.73Å; C91-V125 PolarHBondContact O-N 2.84Å
92	V	98.6	Very high	97.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.8	-171	-169.4	0	0	0	0	110.3	M19 V20 G21 V25 K27 L30 L90 V125 N127	M19-V92 HydrophobicContact CE-CG2 4Å; V20-V92 PolarHBondContact O-N 3.42Å; G21-V92 VanDerWaalsContact CA-O 3.27Å; G21-V92 WeakPolarHBondContact CA-O 3.48Å; V25-V92 HydrophobicContact CB-CG1 4.37Å; V25-V92 HydrophobicContact CG2-CB 4.03Å; V25-V92 HydrophobicContact CG2-CG1 3.92Å; K27-V92 HydrophobicContact CG-CB 4.29Å; K27-V92 HydrophobicContact CG-CG2 4.44Å; L30-V92 HydrophobicContact CD1-CG1 3.86Å; L30-V92 HydrophobicContact CD1-CG2 4.1Å; L90-V92 HydrophobicContact CB-CG2 4.32Å; L90-V92 PolarHBondContact O-N 3.08Å; V92-V125 WeakPolarHBondContact CA-O 3.4Å; V92-V125 HydrophobicContact CG1-CG1 4.5Å; V92-V125 HydrophobicContact CG2-CB 4.27Å; V92-N127 HydrophobicContact CG1-CB 3.81Å
93	F	98.7	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	166.9	166.5	71.9	-85.6	0	0	0	110	I95 F101 T104 L124 V125 G126 N127 V137 A142 Y153	F93-I95 HydrophobicContact CE2-CG2 4.11Å; F93-F101 HydrophobicContact CB-CB 4.4Å; F93-F101 AromaticContact CD1-CD2 3.87Å; F93-F101 HydrophobicContact CD1-CD2 3.87Å; F93-F101 HydrophobicContact CD2-CB 3.66Å; F93-F101 AromaticContact CD2-CD2 3.83Å; F93-F101 HydrophobicContact CD2-CD2 3.83Å; F93-F101 HydrophobicContact CD2-CG 4.14Å; F93-F101 AromaticContact CE1-CD2 3.7Å; F93-F101 HydrophobicContact CE1-CD2 3.7Å; F93-F101 HydrophobicContact CE1-CE2 4.07Å; F93-F101 HydrophobicContact CE2-CB 4.08Å; F93-F101 AromaticContact CE2-CD2 3.68Å; F93-F101 HydrophobicContact CE2-CD2 3.68Å; F93-F101 HydrophobicContact CE2-CE2 4.44Å; F93-F101 HydrophobicContact CE2-CG 4.14Å; F93-F101 HydrophobicContact CG-CB 4.08Å; F93-F101 AromaticContact CG-CD2 3.92Å; F93-F101 HydrophobicContact CG-CD2 3.92Å; F93-F101 HydrophobicContact CG-CG 4.49Å; F93-F101 AromaticContact CZ-CD2 3.6Å; F93-F101 HydrophobicContact CZ-CD2 3.6Å; F93-F101 AromaticContact CZ-CE2 3.98Å; F93-F101 HydrophobicContact CZ-CE2 3.98Å; F93-F101 HydrophobicContact CZ-CG 4.48Å; F93-T104 HydrophobicContact CB-CG2 3.86Å; F93-T104 HydrophobicContact CD1-CG2 4.09Å; F93-T104 HydrophobicContact CG-CG2 4.3Å; F93-L124 HydrophobicContact CD1-CD1 3.8Å; F93-L124 HydrophobicContact CD1-CG 4.42Å; F93-L124 HydrophobicContact CE1-CD1 3.85Å; F93-L124 HydrophobicContact CE1-CD2 4.49Å; F93-L124 HydrophobicContact CE1-CG 3.97Å; F93-V125 VanDerWaalsContact CD1-O 3.22Å; F93-V125 WeakPolarHBondContact CD1-O 3.37Å; F93-V125 PolarHBondContact N-O 2.84Å; F93-G126 VanDerWaalsContact CE1-CA 3.5Å; F93-N127 PolarHBondContact O-N 3Å; F93-V137 HydrophobicContact CD2-CG2 4.47Å; F93-V137 HydrophobicContact CE2-CB 4.02Å; F93-V137 HydrophobicContact CE2-CG1 3.8Å; F93-V137 HydrophobicContact CE2-CG2 4.19Å; F93-V137 HydrophobicContact CZ-CG1 4.27Å; F93-A142 HydrophobicContact CZ-CB 3.92Å; F93-Y153 AromaticContact CE1-CE2 3.8Å; F93-Y153 HydrophobicContact CE1-CE2 3.8Å; F93-Y153 AromaticContact CZ-CE2 3.78Å; F93-Y153 HydrophobicContact CZ-CE2 3.78Å
94	S	98.4	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.2	174	-174.9	0	0	0	0	109.6	T96 E97 S100 K128	S94-T96 PolarHBondContact O-N 2.86Å; S94-T96 PolarHBondContact OG-OG1 3.33Å; S94-E97 PolarHBondContact O-N 2.82Å; S94-S100 PolarHBondContact N-OG 3.12Å; S94-S100 PolarHBondContact O-OG 2.93Å; S94-K128 VanDerWaalsContact OG-CD 3.25Å; S94-K128 WeakPolarHBondContact OG-CD 3.46Å; S94-K128 VanDerWaalsContact OG-CE 3.32Å; S94-K128 WeakPolarHBondContact OG-CE 3.25Å; S94-K128 PolarHBondContact OG-NZ 2.81Å
95	I	98.8	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.9	177.3	65	158.5	0	0	0	112.8	F93 N127 K128 R135 Q136 V137	F93-I95 HydrophobicContact CE2-CG2 4.11Å; I95-N127 PolarHBondContact N-O 3.23Å; I95-K128 WeakPolarHBondContact CD1-O 3.37Å; I95-K128 WeakPolarHBondContact CG1-O 3.5Å; I95-R135 HydrophobicContact CD1-CB 4.49Å; I95-R135 HydrophobicContact CD1-CG 4.48Å; I95-Q136 PolarHBondContact O-N 3.01Å; I95-V137 PolarHBondContact O-N 2.96Å
96	T	98.4	Very high	97.9	Very high	24 Å²	24	29 Å²	29	15%	0.147	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.4	179.1	72.5	0	0	0	0	113.7	S94 L131 R134 Q136	S94-T96 PolarHBondContact O-N 2.86Å; S94-T96 PolarHBondContact OG-OG1 3.33Å; T96-L131 HydrophobicContact CG2-CB 3.67Å; T96-L131 HydrophobicContact CG2-CD1 4.14Å; T96-R134 WeakPolarHBondContact CA-O 3.39Å; T96-R134 WeakPolarHBondContact CB-O 3.42Å; T96-R134 HydrophobicContact CG2-CB 3.93Å; T96-Q136 PolarHBondContact O-NE2 3.17Å; T96-Q136 VanDerWaalsContact O-NE2 3.09Å; T96-Q136 PolarHBondContact O-OE1 3.24Å
97	E	98.1	Very high	97.9	Very high	71 Å²	71	30.4 Å²	30.4	33%	0.332	16%	0.164	S	C	.	.			trans	-142	98.3	-173.7	-174.9	176.7	-141	0	0	110.3	S94 E99 S100 F101	S94-E97 PolarHBondContact O-N 2.82Å; E97-E99 VanDerWaalsContact C-N 3.28Å; E97-E99 PolarHBondContact O-N 3.17Å; E97-S100 WeakPolarHBondContact O-CB 3.27Å; E97-S100 PolarHBondContact O-N 2.86Å; E97-S100 VanDerWaalsContact O-N 3.13Å; E97-S100 PolarHBondContact O-OG 2.77Å; E97-S100 WeakPolarHBondContact OE2-CB 3.1Å; E97-F101 PolarHBondContact O-N 2.96Å
98	L	98.1	Very high	97.8	Very high	81 Å²	81	28.2 Å²	28.2	42%	0.424	15%	0.154	S	C	.	.	H	α-helix	trans	-59.1	-37.6	-176.1	-178.1	62.9	0	0	0	112.8	S100 F101 A102 Q136 V137	L98-S100 VanDerWaalsContact C-N 3.29Å; L98-S100 PolarHBondContact O-N 2.86Å; L98-F101 HydrophobicContact CD1-CD1 4.4Å; L98-F101 WeakPolarHBondContact O-CB 3.3Å; L98-F101 PolarHBondContact O-N 2.75Å; L98-F101 VanDerWaalsContact O-N 3.13Å; L98-A102 PolarHBondContact O-N 2.69Å; L98-Q136 HydrophobicContact CB-CB 4.32Å; L98-Q136 VanDerWaalsContact N-OE1 3.11Å; L98-V137 HydrophobicContact CD1-CG2 4.05Å
99	E	97.8	Very high	97.7	Very high	158 Å²	158	33.9 Å²	33.9	74%	0.738	18%	0.18	S	C	*	.	H	α-helix	trans	-61.6	-38	178.4	-64.2	-177.2	-177.5	0	0	112	E97 F101 A102 A103	E97-E99 VanDerWaalsContact C-N 3.28Å; E97-E99 PolarHBondContact O-N 3.17Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 2.75Å; E99-A102 PolarHBondContact O-N 2.84Å; E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 2.79Å
100	S	97.8	Very high	97.5	Very high	1 Å²	1	36 Å²	36	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-35.3	176.4	79	0	0	0	0	112.2	S94 E97 L98	S94-S100 PolarHBondContact N-OG 3.12Å; S94-S100 PolarHBondContact O-OG 2.93Å; E97-S100 WeakPolarHBondContact O-CB 3.27Å; E97-S100 PolarHBondContact O-N 2.86Å; E97-S100 VanDerWaalsContact O-N 3.13Å; E97-S100 PolarHBondContact O-OG 2.77Å; E97-S100 WeakPolarHBondContact OE2-CB 3.1Å; L98-S100 VanDerWaalsContact C-N 3.29Å; L98-S100 PolarHBondContact O-N 2.86Å
101	F	98.6	Very high	97.4	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-69.3	-47.6	173.4	178.2	-119.8	0	0	0	110.3	F93 E97 L98 E99 A103 T104 L124 V137 E141 A142 R145	F93-F101 HydrophobicContact CB-CB 4.4Å; F93-F101 AromaticContact CD1-CD2 3.87Å; F93-F101 HydrophobicContact CD1-CD2 3.87Å; F93-F101 HydrophobicContact CD2-CB 3.66Å; F93-F101 AromaticContact CD2-CD2 3.83Å; F93-F101 HydrophobicContact CD2-CD2 3.83Å; F93-F101 HydrophobicContact CD2-CG 4.14Å; F93-F101 AromaticContact CE1-CD2 3.7Å; F93-F101 HydrophobicContact CE1-CD2 3.7Å; F93-F101 HydrophobicContact CE1-CE2 4.07Å; F93-F101 HydrophobicContact CE2-CB 4.08Å; F93-F101 AromaticContact CE2-CD2 3.68Å; F93-F101 HydrophobicContact CE2-CD2 3.68Å; F93-F101 HydrophobicContact CE2-CE2 4.44Å; F93-F101 HydrophobicContact CE2-CG 4.14Å; F93-F101 HydrophobicContact CG-CB 4.08Å; F93-F101 AromaticContact CG-CD2 3.92Å; F93-F101 HydrophobicContact CG-CD2 3.92Å; F93-F101 HydrophobicContact CG-CG 4.49Å; F93-F101 AromaticContact CZ-CD2 3.6Å; F93-F101 HydrophobicContact CZ-CD2 3.6Å; F93-F101 AromaticContact CZ-CE2 3.98Å; F93-F101 HydrophobicContact CZ-CE2 3.98Å; F93-F101 HydrophobicContact CZ-CG 4.48Å; E97-F101 PolarHBondContact O-N 2.96Å; L98-F101 HydrophobicContact CD1-CD1 4.4Å; L98-F101 WeakPolarHBondContact O-CB 3.3Å; L98-F101 PolarHBondContact O-N 2.75Å; L98-F101 VanDerWaalsContact O-N 3.13Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 2.75Å; F101-A103 VanDerWaalsContact C-N 3.26Å; F101-A103 PolarHBondContact O-N 2.84Å; F101-T104 WeakPolarHBondContact O-CB 3.22Å; F101-T104 WeakPolarHBondContact O-CG2 3.26Å; F101-T104 PolarHBondContact O-N 2.9Å; F101-T104 PolarHBondContact O-OG1 3.21Å; F101-L124 HydrophobicContact CE2-CD2 4.27Å; F101-V137 HydrophobicContact CB-CG1 4.27Å; F101-V137 HydrophobicContact CB-CG2 3.68Å; F101-V137 HydrophobicContact CD1-CG1 3.67Å; F101-V137 HydrophobicContact CD1-CG2 4.22Å; F101-V137 HydrophobicContact CD2-CG1 4.07Å; F101-V137 HydrophobicContact CE1-CG1 3.9Å; F101-V137 HydrophobicContact CE2-CG1 4.28Å; F101-V137 HydrophobicContact CG-CG1 3.75Å; F101-V137 HydrophobicContact CG-CG2 4.08Å; F101-V137 HydrophobicContact CZ-CG1 4.21Å; F101-E141 HydrophobicContact CE1-CG 3.79Å; F101-E141 WeakPolarHBondContact CE1-OE1 3.48Å; F101-E141 HydrophobicContact CZ-CG 4.25Å; F101-A142 HydrophobicContact CE2-CB 3.94Å; F101-A142 HydrophobicContact CZ-CB 4.16Å; F101-R145 HydrophobicContact CZ-CB 4.11Å; F101-R145 VanDerWaalsContact CZ-NE 3.3Å; F101-R145 PolarHBondContact O-NH1 2.98Å
102	A	98.1	Very high	97.2	Very high	54 Å²	54	37.1 Å²	37.1	45%	0.446	20%	0.196	S	C	.	.	H	α-helix	trans	-53.8	-43.4	176.4	0	0	0	0	0	112.2	L98 E99 T104 V105	L98-A102 PolarHBondContact O-N 2.69Å; E99-A102 PolarHBondContact O-N 2.84Å; A102-T104 PolarHBondContact O-N 2.9Å; A102-T104 VanDerWaalsContact O-N 3.11Å; A102-V105 WeakPolarHBondContact O-CG2 3.25Å; A102-V105 PolarHBondContact O-N 3.03Å
103	A	96.9	Very high	97.1	Very high	20 Å²	20	44.3 Å²	44.3	17%	0.165	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18	179	0	0	0	0	0	114.9	S22 E99 F101 V105 D106 F107	S22-A103 WeakPolarHBondContact OG-CB 2.95Å; E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 2.79Å; F101-A103 VanDerWaalsContact C-N 3.26Å; F101-A103 PolarHBondContact O-N 2.84Å; A103-V105 PolarHBondContact O-N 3.46Å; A103-D106 PolarHBondContact O-N 3.13Å; A103-F107 HydrophobicContact CB-CE2 4.31Å; A103-F107 WeakPolarHBondContact O-CD2 3.49Å; A103-F107 PolarHBondContact O-N 2.61Å
104	T	97.6	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-28.1	177.2	60.6	0	0	0	0	112.8	F93 F101 A102 F107 R108 L124 R145	F93-T104 HydrophobicContact CB-CG2 3.86Å; F93-T104 HydrophobicContact CD1-CG2 4.09Å; F93-T104 HydrophobicContact CG-CG2 4.3Å; F101-T104 WeakPolarHBondContact O-CB 3.22Å; F101-T104 WeakPolarHBondContact O-CG2 3.26Å; F101-T104 PolarHBondContact O-N 2.9Å; F101-T104 PolarHBondContact O-OG1 3.21Å; A102-T104 PolarHBondContact O-N 2.9Å; A102-T104 VanDerWaalsContact O-N 3.11Å; T104-F107 PolarHBondContact O-N 3.45Å; T104-R108 WeakPolarHBondContact O-CB 3.11Å; T104-R108 PolarHBondContact O-N 3.28Å; T104-L124 HydrophobicContact CG2-CD1 3.92Å; T104-R145 PolarHBondContact OG1-NH1 3.21Å
105	V	97.8	Very high	96.8	Very high	47 Å²	47	47.8 Å²	47.8	29%	0.285	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-50.4	176.1	-179.8	0	0	0	0	110.1	A102 A103 F107 R108 E109 W149	A102-V105 WeakPolarHBondContact O-CG2 3.25Å; A102-V105 PolarHBondContact O-N 3.03Å; A103-V105 PolarHBondContact O-N 3.46Å; V105-F107 VanDerWaalsContact C-N 3.33Å; V105-F107 PolarHBondContact O-N 3.03Å; V105-R108 WeakPolarHBondContact O-CB 3.24Å; V105-R108 PolarHBondContact O-N 3.49Å; V105-R108 VanDerWaalsContact O-N 3.14Å; V105-E109 HydrophobicContact CG1-CG 4.43Å; V105-E109 WeakPolarHBondContact O-CG 3.35Å; V105-E109 PolarHBondContact O-N 3.27Å; V105-W149 HydrophobicContact CG2-CZ2 4.07Å
106	D	95.3	Very high	96.6	Very high	93 Å²	93	56.5 Å²	56.5	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-41.5	-179	-62.4	-20.5	0	0	0	111.6	A103 E109 Q110	A103-D106 PolarHBondContact O-N 3.13Å; D106-E109 PolarHBondContact O-N 3.49Å; D106-Q110 WeakPolarHBondContact O-CB 3.3Å; D106-Q110 WeakPolarHBondContact O-CG 3.48Å; D106-Q110 PolarHBondContact O-N 3.02Å
107	F	95.3	Very high	96.2	Very high	31 Å²	31	57.4 Å²	57.4	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-45.6	175.3	-72.2	-67.2	0	0	0	111.5	V20 G21 A103 T104 V105 Q110 I111	V20-F107 HydrophobicContact CB-CD1 3.98Å; V20-F107 HydrophobicContact CB-CE1 4.47Å; V20-F107 HydrophobicContact CB-CG 4.32Å; V20-F107 HydrophobicContact CG2-CB 4.19Å; V20-F107 HydrophobicContact CG2-CD1 4.49Å; V20-F107 HydrophobicContact CG2-CG 4.38Å; G21-F107 VanDerWaalsContact C-CE2 3.45Å; G21-F107 VanDerWaalsContact C-CZ 3.43Å; G21-F107 VanDerWaalsContact CA-CE2 3.42Å; A103-F107 HydrophobicContact CB-CE2 4.31Å; A103-F107 WeakPolarHBondContact O-CD2 3.49Å; A103-F107 PolarHBondContact O-N 2.61Å; T104-F107 PolarHBondContact O-N 3.45Å; V105-F107 VanDerWaalsContact C-N 3.33Å; V105-F107 PolarHBondContact O-N 3.03Å; F107-Q110 PolarHBondContact O-N 3.23Å; F107-I111 WeakPolarHBondContact O-CB 3.47Å; F107-I111 WeakPolarHBondContact O-CD1 3.47Å; F107-I111 VanDerWaalsContact O-CG1 3.22Å; F107-I111 WeakPolarHBondContact O-CG1 3.42Å; F107-I111 PolarHBondContact O-N 3.19Å
108	R	96.3	Very high	95.8	Very high	12 Å²	12	60.2 Å²	60.2	5%	0.045	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-50.8	178	178.1	64.5	178.9	175.5	5.5	110.8	T104 V105 Q110 I111 L112 E118 F122 W149	T104-R108 WeakPolarHBondContact O-CB 3.11Å; T104-R108 PolarHBondContact O-N 3.28Å; V105-R108 WeakPolarHBondContact O-CB 3.24Å; V105-R108 PolarHBondContact O-N 3.49Å; V105-R108 VanDerWaalsContact O-N 3.14Å; R108-Q110 VanDerWaalsContact C-N 3.35Å; R108-Q110 PolarHBondContact O-N 3.19Å; R108-I111 PolarHBondContact O-N 3.35Å; R108-L112 HydrophobicContact CG-CD1 4.06Å; R108-L112 HydrophobicContact CG-CG 4.42Å; R108-L112 WeakPolarHBondContact O-CB 3.22Å; R108-L112 VanDerWaalsContact O-CG 3.3Å; R108-L112 WeakPolarHBondContact O-CG 3.35Å; R108-L112 PolarHBondContact O-N 3.3Å; R108-E118 PolarHBondContact NH2-O 2.86Å; R108-F122 HydrophobicContact CB-CE2 4.36Å; R108-F122 HydrophobicContact CB-CZ 4.15Å; R108-F122 HydrophobicContact CG-CZ 4.46Å; R108-F122 VanDerWaalsContact NH1-CB 3.27Å; R108-F122 VanDerWaalsContact NH1-CG 3.26Å; R108-W149 HydrophobicContact CB-CH2 4.18Å; R108-W149 HydrophobicContact CB-CZ2 4.34Å; R108-W149 HydrophobicContact CB-CZ3 4.4Å; R108-W149 HydrophobicContact CG-CD2 4.35Å; R108-W149 HydrophobicContact CG-CE3 4.47Å
109	E	95.8	Very high	95.4	Very high	119 Å²	119	62.1 Å²	62.1	56%	0.556	31%	0.308	S	S	*	.	H	α-helix	trans	-59.4	-43.5	-179.9	-71.9	-175.8	174.8	0	0	112.4	V105 D106 L112 R113	V105-E109 HydrophobicContact CG1-CG 4.43Å; V105-E109 WeakPolarHBondContact O-CG 3.35Å; V105-E109 PolarHBondContact O-N 3.27Å; D106-E109 PolarHBondContact O-N 3.49Å; E109-L112 PolarHBondContact O-N 3.38Å; E109-R113 VanDerWaalsContact O-CB 3.3Å; E109-R113 WeakPolarHBondContact O-CB 3.32Å; E109-R113 PolarHBondContact O-N 3.13Å
110	Q	94.3	Very high	95.3	Very high	44 Å²	44	55 Å²	55	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-42	177.9	-70.4	174.6	10.1	0	0	112.3	F83 D106 F107 R108 R113 V114	F83-Q110 HydrophobicContact CD2-CB 4.5Å; F83-Q110 HydrophobicContact CE2-CB 3.89Å; D106-Q110 WeakPolarHBondContact O-CB 3.3Å; D106-Q110 WeakPolarHBondContact O-CG 3.48Å; D106-Q110 PolarHBondContact O-N 3.02Å; F107-Q110 PolarHBondContact O-N 3.23Å; R108-Q110 VanDerWaalsContact C-N 3.35Å; R108-Q110 PolarHBondContact O-N 3.19Å; Q110-R113 PolarHBondContact O-N 2.91Å; Q110-V114 WeakPolarHBondContact O-CG2 3.44Å; Q110-V114 PolarHBondContact O-N 2.8Å
111	I	95.8	Very high	95.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-50.8	176.4	-71.9	162.2	0	0	0	109.7	V20 F83 F89 F107 R108 R113 V114 K115 V120 F122	V20-I111 HydrophobicContact CG1-CD1 4.31Å; V20-I111 HydrophobicContact CG2-CD1 4Å; F83-I111 HydrophobicContact CD1-CG1 4.19Å; F83-I111 HydrophobicContact CD2-CG1 4.01Å; F83-I111 HydrophobicContact CE1-CG1 4.18Å; F83-I111 HydrophobicContact CE2-CG1 4Å; F83-I111 HydrophobicContact CG-CG1 4.1Å; F83-I111 HydrophobicContact CZ-CG1 4.08Å; F89-I111 HydrophobicContact CB-CD1 4.05Å; F89-I111 HydrophobicContact CD1-CD1 3.47Å; F89-I111 VanDerWaalsContact CD1-CD1 3.47Å; F89-I111 HydrophobicContact CD1-CG1 3.89Å; F89-I111 HydrophobicContact CD1-CG2 4.28Å; F89-I111 HydrophobicContact CD2-CG2 3.81Å; F89-I111 HydrophobicContact CE1-CD1 4.08Å; F89-I111 HydrophobicContact CE1-CG1 3.96Å; F89-I111 HydrophobicContact CE1-CG2 4.18Å; F89-I111 HydrophobicContact CE2-CG2 3.73Å; F89-I111 HydrophobicContact CG-CD1 3.75Å; F89-I111 HydrophobicContact CG-CG1 4.37Å; F89-I111 HydrophobicContact CG-CG2 4.11Å; F89-I111 HydrophobicContact CZ-CG1 4.5Å; F89-I111 HydrophobicContact CZ-CG2 3.92Å; F107-I111 WeakPolarHBondContact O-CB 3.47Å; F107-I111 WeakPolarHBondContact O-CD1 3.47Å; F107-I111 VanDerWaalsContact O-CG1 3.22Å; F107-I111 WeakPolarHBondContact O-CG1 3.42Å; F107-I111 PolarHBondContact O-N 3.19Å; R108-I111 PolarHBondContact O-N 3.35Å; I111-R113 VanDerWaalsContact C-N 3.33Å; I111-R113 PolarHBondContact O-N 3.03Å; I111-V114 PolarHBondContact O-N 2.95Å; I111-K115 HydrophobicContact CG2-CG 4.05Å; I111-K115 VanDerWaalsContact O-CB 3.23Å; I111-K115 WeakPolarHBondContact O-CB 3.35Å; I111-K115 VanDerWaalsContact O-CG 3.27Å; I111-K115 WeakPolarHBondContact O-CG 3.42Å; I111-K115 PolarHBondContact O-N 3.49Å; I111-V120 HydrophobicContact CG2-CG1 4.04Å; I111-F122 HydrophobicContact CD1-CD2 4.39Å; I111-F122 HydrophobicContact CD1-CE2 3.93Å
112	L	95.9	Very high	95.3	Very high	24 Å²	24	55.3 Å²	55.3	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-44.6	179.9	-71.2	-178.6	0	0	0	112	R108 E109 V114 K115 E116 D117 E118 V120	R108-L112 HydrophobicContact CG-CD1 4.06Å; R108-L112 HydrophobicContact CG-CG 4.42Å; R108-L112 WeakPolarHBondContact O-CB 3.22Å; R108-L112 VanDerWaalsContact O-CG 3.3Å; R108-L112 WeakPolarHBondContact O-CG 3.35Å; R108-L112 PolarHBondContact O-N 3.3Å; E109-L112 PolarHBondContact O-N 3.38Å; L112-V114 PolarHBondContact O-N 2.93Å; L112-K115 PolarHBondContact O-N 3.39Å; L112-E116 WeakPolarHBondContact O-CA 3.32Å; L112-E116 PolarHBondContact O-N 2.96Å; L112-D117 WeakPolarHBondContact CD2-O 3.19Å; L112-E118 VanDerWaalsContact CD1-OE2 3.3Å; L112-E118 WeakPolarHBondContact CD1-OE2 3.48Å; L112-V120 HydrophobicContact CD2-CG1 3.9Å
113	R	95.6	Very high	95.3	Very high	150 Å²	150	52.7 Å²	52.7	57%	0.566	26%	0.256	S	S	*	.	H	α-helix	trans	-59.8	-43.4	176.8	-174.2	-172.5	71.7	-156.4	2	112.5	E109 Q110 I111	E109-R113 VanDerWaalsContact O-CB 3.3Å; E109-R113 WeakPolarHBondContact O-CB 3.32Å; E109-R113 PolarHBondContact O-N 3.13Å; Q110-R113 PolarHBondContact O-N 2.91Å; I111-R113 VanDerWaalsContact C-N 3.33Å; I111-R113 PolarHBondContact O-N 3.03Å
114	V	95.4	Very high	95.4	Very high	18 Å²	18	51.8 Å²	51.8	11%	0.109	25%	0.248	C	C	.	.	H	α-helix	trans	-76.9	-31.3	-178.5	174.4	0	0	0	0	111.8	D80 F83 R84 Q110 I111 L112	D80-V114 HydrophobicContact CB-CG1 4.48Å; D80-V114 HydrophobicContact CB-CG2 4.16Å; D80-V114 WeakPolarHBondContact O-CG1 3.39Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.22Å; F83-V114 HydrophobicContact CB-CB 4.11Å; F83-V114 HydrophobicContact CB-CG1 3.83Å; F83-V114 HydrophobicContact CD2-CG2 4.34Å; R84-V114 HydrophobicContact CB-CG1 4.07Å; Q110-V114 WeakPolarHBondContact O-CG2 3.44Å; Q110-V114 PolarHBondContact O-N 2.8Å; I111-V114 PolarHBondContact O-N 2.95Å; L112-V114 PolarHBondContact O-N 2.93Å
115	K	94.4	Very high	95.5	Very high	56 Å²	56	51.8 Å²	51.8	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-80.5	-28.4	179.1	-75.3	-57.2	-149.9	177.6	0	113.9	F83 R84 G86 F89 I111 L112 D117 V120	F83-K115 WeakPolarHBondContact O-CE 3.3Å; F83-K115 PolarHBondContact O-NZ 3.42Å; R84-K115 PolarHBondContact O-NZ 3.1Å; G86-K115 WeakPolarHBondContact O-CE 3.46Å; G86-K115 PolarHBondContact O-NZ 3.03Å; F89-K115 HydrophobicContact CE2-CG 4.44Å; I111-K115 HydrophobicContact CG2-CG 4.05Å; I111-K115 VanDerWaalsContact O-CB 3.23Å; I111-K115 WeakPolarHBondContact O-CB 3.35Å; I111-K115 VanDerWaalsContact O-CG 3.27Å; I111-K115 WeakPolarHBondContact O-CG 3.42Å; I111-K115 PolarHBondContact O-N 3.49Å; L112-K115 PolarHBondContact O-N 3.39Å; K115-D117 HydrophobicContact CB-CB 4.35Å; K115-D117 PolarHBondContact O-N 2.8Å; K115-V120 HydrophobicContact CG-CB 4.48Å; K115-V120 HydrophobicContact CG-CG2 4.09Å
116	E	94.6	Very high	95.5	Very high	182 Å²	182	49.5 Å²	49.5	85%	0.85	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	35.6	-170.7	-56.2	177.2	-178.6	0	0	111.5	L112	L112-E116 WeakPolarHBondContact O-CA 3.32Å; L112-E116 PolarHBondContact O-N 2.96Å
117	D	91.4	Very high	95.7	Very high	43 Å²	43	45.3 Å²	45.3	23%	0.23	21%	0.212	C	C	.	.			trans	-149.7	111.3	-174.9	-176.9	11.2	0	0	0	112	L112 K115 N119 V120 R178	L112-D117 WeakPolarHBondContact CD2-O 3.19Å; K115-D117 HydrophobicContact CB-CB 4.35Å; K115-D117 PolarHBondContact O-N 2.8Å; D117-N119 PolarHBondContact O-N 2.99Å; D117-N119 PolarHBondContact OD1-N 2.89Å; D117-V120 PolarHBondContact O-N 2.93Å; D117-R178 VanDerWaalsContact CG-NH2 3.25Å; D117-R178 IonicContact OD1-NH2 2.92Å; D117-R178 PolarHBondContact OD1-NH2 3.13Å; D117-R178 VanDerWaalsContact OD1-NH2 3.12Å; D117-R178 IonicContact OD2-CZ 3.92Å; D117-R178 IonicContact OD2-NE 3.39Å; D117-R178 IonicContact OD2-NH2 3.12Å; D117-R178 PolarHBondContact OD2-NH2 2.83Å
118	E	89.3	Confident	95.8	Very high	130 Å²	130	46.4 Å²	46.4	61%	0.607	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26	176.8	-66.4	-60.9	144.9	0	0	113.2	R108 L112	R108-E118 PolarHBondContact NH2-O 2.86Å; L112-E118 VanDerWaalsContact CD1-OE2 3.3Å; L112-E118 WeakPolarHBondContact CD1-OE2 3.48Å
119	N	90.2	Very high	95.9	Very high	121 Å²	121	47.3 Å²	47.3	65%	0.647	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	23.7	-175.7	-62	-50.5	0	0	0	112.7	D117	D117-N119 PolarHBondContact O-N 2.99Å; D117-N119 PolarHBondContact OD1-N 2.89Å
120	V	95.4	Very high	96.1	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.048	21%	0.212	C	C	.	.			trans	-59.4	132.4	173.8	63.5	0	0	0	0	110.2	F89 I111 L112 K115 D117 F122	F89-V120 HydrophobicContact CD2-CG2 3.79Å; F89-V120 HydrophobicContact CE2-CG2 3.6Å; I111-V120 HydrophobicContact CG2-CG1 4.04Å; L112-V120 HydrophobicContact CD2-CG1 3.9Å; K115-V120 HydrophobicContact CG-CB 4.48Å; K115-V120 HydrophobicContact CG-CG2 4.09Å; D117-V120 PolarHBondContact O-N 2.93Å; V120-F122 WeakPolarHBondContact O-CB 3.32Å; V120-F122 PolarHBondContact O-N 2.79Å; V120-F122 VanDerWaalsContact O-N 3.17Å
121	P	98.3	Very high	96.2	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.058	21%	0.214	C	C	.	.			trans	-51.4	120.8	175.1	-30.1	36.6	0	0	0	111.7	G88 F89 L171 E174 I175 R178	G88-P121 VanDerWaalsContact CA-O 3.24Å; G88-P121 WeakPolarHBondContact CA-O 3.4Å; F89-P121 PolarHBondContact N-O 3.28Å; P121-L171 HydrophobicContact CB-CD1 3.87Å; P121-E174 HydrophobicContact CB-CB 3.83Å; P121-E174 HydrophobicContact CG-CB 4.36Å; P121-I175 HydrophobicContact CB-CG1 3.83Å; P121-I175 HydrophobicContact CG-CG1 4.09Å; P121-R178 HydrophobicContact CG-CB 4.11Å; P121-R178 HydrophobicContact CG-CG 4.42Å
122	F	98.4	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	127.8	-166.9	-174.1	-76.9	0	0	0	110.3	F89 C91 R108 I111 V120 W149 V151 E174	F89-F122 HydrophobicContact CB-CD2 3.83Å; F89-F122 HydrophobicContact CB-CE2 4.36Å; F89-F122 WeakPolarHBondContact O-CA 3.34Å; C91-F122 HydrophobicContact CB-CE1 3.71Å; C91-F122 HydrophobicContact CB-CE2 3.79Å; C91-F122 HydrophobicContact CB-CZ 3.18Å; R108-F122 HydrophobicContact CB-CE2 4.36Å; R108-F122 HydrophobicContact CB-CZ 4.15Å; R108-F122 HydrophobicContact CG-CZ 4.46Å; R108-F122 VanDerWaalsContact NH1-CB 3.27Å; R108-F122 VanDerWaalsContact NH1-CG 3.26Å; I111-F122 HydrophobicContact CD1-CD2 4.39Å; I111-F122 HydrophobicContact CD1-CE2 3.93Å; V120-F122 WeakPolarHBondContact O-CB 3.32Å; V120-F122 PolarHBondContact O-N 2.79Å; V120-F122 VanDerWaalsContact O-N 3.17Å; F122-W149 AromaticContact CE1-CE3 3.98Å; F122-W149 HydrophobicContact CE1-CE3 3.98Å; F122-W149 AromaticContact CE1-CZ3 3.93Å; F122-W149 HydrophobicContact CE1-CZ3 3.93Å; F122-W149 HydrophobicContact CZ-CZ3 4.16Å; F122-V151 HydrophobicContact CB-CG1 4.18Å; F122-V151 HydrophobicContact CD1-CB 4.21Å; F122-V151 HydrophobicContact CD1-CG1 3.89Å; F122-V151 HydrophobicContact CD1-CG2 4.1Å; F122-V151 HydrophobicContact CE1-CG2 4.44Å; F122-V151 HydrophobicContact CG-CG1 4.43Å; F122-V151 WeakPolarHBondContact O-CB 3.39Å; F122-E174 PolarHBondContact N-OE2 2.88Å; F122-E174 VanDerWaalsContact N-OE2 3.15Å
123	L	98.5	Very high	96.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.7	172.5	-90.1	68.2	0	0	0	110.2	F89 L90 C91 V125 C152 V167 D170 L171 E174	F89-L123 PolarHBondContact O-N 2.61Å; L90-L123 HydrophobicContact CD2-CB 3.74Å; L90-L123 HydrophobicContact CD2-CD2 4.25Å; C91-L123 PolarHBondContact N-O 2.73Å; L123-V125 HydrophobicContact CB-CG2 4.29Å; L123-C152 HydrophobicContact CG-CB 4.17Å; L123-V167 HydrophobicContact CD2-CB 4.31Å; L123-V167 HydrophobicContact CD2-CG1 4.48Å; L123-D170 HydrophobicContact CD2-CB 4.02Å; L123-L171 HydrophobicContact CD1-CB 4.11Å; L123-L171 HydrophobicContact CD1-CD1 3.93Å; L123-E174 WeakPolarHBondContact CD1-OE1 3.33Å
124	L	98.8	Very high	96.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124.5	168.1	-178	60.6	0	0	0	109	F93 F101 T104 R145 A146 W149 V151 C152 Y153 V154	F93-L124 HydrophobicContact CD1-CD1 3.8Å; F93-L124 HydrophobicContact CD1-CG 4.42Å; F93-L124 HydrophobicContact CE1-CD1 3.85Å; F93-L124 HydrophobicContact CE1-CD2 4.49Å; F93-L124 HydrophobicContact CE1-CG 3.97Å; F101-L124 HydrophobicContact CE2-CD2 4.27Å; T104-L124 HydrophobicContact CG2-CD1 3.92Å; L124-R145 HydrophobicContact CD2-CB 4.46Å; L124-R145 HydrophobicContact CD2-CG 4.41Å; L124-A146 HydrophobicContact CD2-CB 4.14Å; L124-W149 HydrophobicContact CD1-CZ3 4.1Å; L124-W149 HydrophobicContact CD2-CZ3 4.26Å; L124-V151 HydrophobicContact CB-CG2 4.37Å; L124-C152 PolarHBondContact N-O 3.47Å; L124-Y153 HydrophobicContact CB-CD2 4.35Å; L124-Y153 HydrophobicContact CD2-CD2 4.24Å; L124-Y153 HydrophobicContact CG-CD2 4.01Å; L124-Y153 WeakPolarHBondContact O-CA 3.32Å; L124-Y153 WeakPolarHBondContact O-CD2 3.41Å; L124-V154 PolarHBondContact O-N 3.06Å
125	V	98.9	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.7	-171.7	-177.6	0	0	0	0	110.7	L30 L90 C91 V92 F93 L123 V154 T156 V167	L30-V125 HydrophobicContact CD1-CG1 4.31Å; L90-V125 HydrophobicContact CD2-CG2 4.11Å; C91-V125 PolarHBondContact O-N 2.84Å; V92-V125 WeakPolarHBondContact CA-O 3.4Å; V92-V125 HydrophobicContact CG1-CG1 4.5Å; V92-V125 HydrophobicContact CG2-CB 4.27Å; F93-V125 VanDerWaalsContact CD1-O 3.22Å; F93-V125 WeakPolarHBondContact CD1-O 3.37Å; F93-V125 PolarHBondContact N-O 2.84Å; L123-V125 HydrophobicContact CB-CG2 4.29Å; V125-V154 WeakPolarHBondContact CA-O 3.25Å; V125-T156 HydrophobicContact CG1-CG2 3.68Å; V125-T156 VanDerWaalsContact CG1-OG1 3.32Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.46Å; V125-V167 HydrophobicContact CG1-CG1 4.34Å; V125-V167 HydrophobicContact CG2-CB 4.29Å; V125-V167 HydrophobicContact CG2-CG1 3.98Å
126	G	98.8	Very high	96.8	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	97.9	173	0	0	0	0	0	110.6	F93 V154 E155 T156	F93-G126 VanDerWaalsContact CE1-CA 3.5Å; G126-V154 PolarHBondContact N-O 3.33Å; G126-E155 CarbonylContact O-C 3.54Å; G126-E155 WeakPolarHBondContact O-CA 3.38Å; G126-T156 PolarHBondContact O-N 3.26Å
127	N	98.7	Very high	97	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	167	-178.3	-169.5	31.9	0	0	0	112	V25 L30 V92 F93 I95 T156 A158	V25-N127 PolarHBondContact O-ND2 3.45Å; L30-N127 HydrophobicContact CD1-CB 4.28Å; V92-N127 HydrophobicContact CG1-CB 3.81Å; F93-N127 PolarHBondContact O-N 3Å; I95-N127 PolarHBondContact N-O 3.23Å; N127-T156 CarbonylContact C-O 3.53Å; N127-T156 VanDerWaalsContact CA-O 3.3Å; N127-T156 WeakPolarHBondContact CA-O 3.09Å; N127-T156 PolarHBondContact OD1-O 3.47Å; N127-T156 PolarHBondContact OD1-OG1 2.7Å; N127-A158 PolarHBondContact OD1-N 2.92Å
128	K	98.1	Very high	97.3	Very high	54 Å²	54	51.8 Å²	51.8	24%	0.235	26%	0.256	C	S	.	.			trans	68.9	37	-178	-43.2	-170.2	-163	171.7	0	113.3	G24 S94 I95 D130 L131 T156	G24-K128 WeakPolarHBondContact O-CE 3.37Å; G24-K128 PolarHBondContact O-NZ 3.15Å; S94-K128 VanDerWaalsContact OG-CD 3.25Å; S94-K128 WeakPolarHBondContact OG-CD 3.46Å; S94-K128 VanDerWaalsContact OG-CE 3.32Å; S94-K128 WeakPolarHBondContact OG-CE 3.25Å; S94-K128 PolarHBondContact OG-NZ 2.81Å; I95-K128 WeakPolarHBondContact CD1-O 3.37Å; I95-K128 WeakPolarHBondContact CG1-O 3.5Å; K128-D130 PolarHBondContact O-N 3.41Å; K128-D130 VanDerWaalsContact O-N 3.11Å; K128-L131 HydrophobicContact CB-CD1 4.15Å; K128-L131 HydrophobicContact CB-CG 4.39Å; K128-L131 HydrophobicContact CD-CD1 4.17Å; K128-L131 PolarHBondContact O-N 3.29Å; K128-T156 PolarHBondContact N-O 2.92Å
129	S	98.5	Very high	97.7	Very high	31 Å²	31	47 Å²	47	22%	0.217	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.3	175.8	64.7	0	0	0	0	114.3	L131 T156 S157	S129-L131 PolarHBondContact O-N 3.05Å; S129-T156 PolarHBondContact N-O 3.22Å; S129-T156 PolarHBondContact OG-O 2.57Å; S129-S157 WeakPolarHBondContact OG-CB 3.3Å
130	D	98.2	Very high	98.1	Very high	55 Å²	55	46.8 Å²	46.8	29%	0.294	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.7	170.1	56.8	-74.1	0	0	0	114.1	K128 S157 K159 T160	K128-D130 PolarHBondContact O-N 3.41Å; K128-D130 VanDerWaalsContact O-N 3.11Å; D130-S157 VanDerWaalsContact CG-OG 3.26Å; D130-S157 VanDerWaalsContact OD1-CB 3.22Å; D130-S157 WeakPolarHBondContact OD1-CB 3.41Å; D130-S157 PolarHBondContact OD1-OG 2.93Å; D130-K159 WeakPolarHBondContact OD2-CD 3.06Å; D130-T160 HydrophobicContact CB-CG2 4Å
131	L	97.1	Very high	98.2	Very high	46 Å²	46	50.2 Å²	50.2	24%	0.241	25%	0.253	C	S	.	.			trans	-104.1	46.2	179.8	-57.4	-178.8	0	0	0	111.9	T96 K128 S129 D133 R134 R135	T96-L131 HydrophobicContact CG2-CB 3.67Å; T96-L131 HydrophobicContact CG2-CD1 4.14Å; K128-L131 HydrophobicContact CB-CD1 4.15Å; K128-L131 HydrophobicContact CB-CG 4.39Å; K128-L131 HydrophobicContact CD-CD1 4.17Å; K128-L131 PolarHBondContact O-N 3.29Å; S129-L131 PolarHBondContact O-N 3.05Å; L131-D133 PolarHBondContact O-N 2.86Å; L131-R134 PolarHBondContact O-N 3.28Å; L131-R135 PolarHBondContact O-N 3.15Å
132	D	96.8	Very high	98.2	Very high	97 Å²	97	49.8 Å²	49.8	52%	0.519	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-62.8	-29.4	-175.8	-162.2	63.8	0	0	0	112.8	R134 R135	D132-R134 PolarHBondContact O-N 2.99Å; D132-R135 VanDerWaalsContact O-CB 3.23Å; D132-R135 WeakPolarHBondContact O-CB 3.27Å; D132-R135 PolarHBondContact O-N 2.95Å; D132-R135 VanDerWaalsContact O-N 3.15Å; D132-R135 IonicContact OD1-CZ 3.29Å; D132-R135 VanDerWaalsContact OD1-CZ 3.29Å; D132-R135 IonicContact OD1-NE 2.78Å; D132-R135 PolarHBondContact OD1-NE 3.28Å; D132-R135 IonicContact OD1-NH2 3.52Å; D132-R135 PolarHBondContact OD1-NH2 3.01Å
133	D	97.8	Very high	98.1	Very high	128 Å²	128	54.5 Å²	54.5	68%	0.684	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.3	173.4	65	-49.1	0	0	0	113.5	L131	L131-D133 PolarHBondContact O-N 2.86Å
134	R	97.7	Very high	98.1	Very high	163 Å²	163	57 Å²	57	62%	0.615	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-111	13.5	179.7	-56.2	-176.4	-173.1	-172	-0.4	112.7	T96 L131 D132 Q136	T96-R134 WeakPolarHBondContact CA-O 3.39Å; T96-R134 WeakPolarHBondContact CB-O 3.42Å; T96-R134 HydrophobicContact CG2-CB 3.93Å; L131-R134 PolarHBondContact O-N 3.28Å; D132-R134 PolarHBondContact O-N 2.99Å; R134-Q136 PolarHBondContact O-N 2.98Å
135	R	98.6	Very high	98.1	Very high	69 Å²	69	59 Å²	59	26%	0.26	30%	0.299	S	S	.	.			trans	-59.8	128.1	-177.9	-178.9	179.8	-70.3	-89.3	6.7	111.1	I95 L131 D132 V137 E155	I95-R135 HydrophobicContact CD1-CB 4.49Å; I95-R135 HydrophobicContact CD1-CG 4.48Å; L131-R135 PolarHBondContact O-N 3.15Å; D132-R135 VanDerWaalsContact O-CB 3.23Å; D132-R135 WeakPolarHBondContact O-CB 3.27Å; D132-R135 PolarHBondContact O-N 2.95Å; D132-R135 VanDerWaalsContact O-N 3.15Å; D132-R135 IonicContact OD1-CZ 3.29Å; D132-R135 VanDerWaalsContact OD1-CZ 3.29Å; D132-R135 IonicContact OD1-NE 2.78Å; D132-R135 PolarHBondContact OD1-NE 3.28Å; D132-R135 IonicContact OD1-NH2 3.52Å; D132-R135 PolarHBondContact OD1-NH2 3.01Å; R135-V137 WeakPolarHBondContact CD-O 3.22Å; R135-V137 WeakPolarHBondContact CG-O 3.44Å; R135-V137 PolarHBondContact NH1-O 2.86Å; R135-E155 IonicContact CZ-OE1 2.7Å; R135-E155 IonicContact CZ-OE2 3.87Å; R135-E155 IonicContact NH1-OE1 2.93Å; R135-E155 PolarHBondContact NH1-OE1 3.16Å; R135-E155 IonicContact NH1-OE2 3.22Å; R135-E155 IonicContact NH2-OE1 3.38Å; R135-E155 PolarHBondContact NH2-OE1 3.4Å; R135-E155 IonicContact NH2-OE2 3.84Å; R135-E155 PolarHBondContact NH2-OE2 3.13Å
136	Q	98.6	Very high	98.1	Very high	119 Å²	119	59.1 Å²	59.1	56%	0.556	30%	0.3	S	S	*	.			trans	-112.3	-22.1	171.4	-62.7	-175.5	8.8	0	0	112.1	I95 T96 L98 R134	I95-Q136 PolarHBondContact O-N 3.01Å; T96-Q136 PolarHBondContact O-NE2 3.17Å; T96-Q136 VanDerWaalsContact O-NE2 3.09Å; T96-Q136 PolarHBondContact O-OE1 3.24Å; L98-Q136 HydrophobicContact CB-CB 4.32Å; L98-Q136 VanDerWaalsContact N-OE1 3.11Å; R134-Q136 PolarHBondContact O-N 2.98Å
137	V	98.5	Very high	98	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-110.8	117.9	179.5	-173.8	0	0	0	0	109.1	F93 I95 L98 F101 R135 A142	F93-V137 HydrophobicContact CD2-CG2 4.47Å; F93-V137 HydrophobicContact CE2-CB 4.02Å; F93-V137 HydrophobicContact CE2-CG1 3.8Å; F93-V137 HydrophobicContact CE2-CG2 4.19Å; F93-V137 HydrophobicContact CZ-CG1 4.27Å; I95-V137 PolarHBondContact O-N 2.96Å; L98-V137 HydrophobicContact CD1-CG2 4.05Å; F101-V137 HydrophobicContact CB-CG1 4.27Å; F101-V137 HydrophobicContact CB-CG2 3.68Å; F101-V137 HydrophobicContact CD1-CG1 3.67Å; F101-V137 HydrophobicContact CD1-CG2 4.22Å; F101-V137 HydrophobicContact CD2-CG1 4.07Å; F101-V137 HydrophobicContact CE1-CG1 3.9Å; F101-V137 HydrophobicContact CE2-CG1 4.28Å; F101-V137 HydrophobicContact CG-CG1 3.75Å; F101-V137 HydrophobicContact CG-CG2 4.08Å; F101-V137 HydrophobicContact CZ-CG1 4.21Å; R135-V137 WeakPolarHBondContact CD-O 3.22Å; R135-V137 WeakPolarHBondContact CG-O 3.44Å; R135-V137 PolarHBondContact NH1-O 2.86Å; V137-A142 HydrophobicContact CG1-CB 4.35Å
138	S	98.4	Very high	97.9	Very high	53 Å²	53	73.8 Å²	73.8	37%	0.371	37%	0.369	S	S	.	.			trans	-72	147.7	177.9	73.8	0	0	0	0	111.1	D140 E141 A142	S138-D140 PolarHBondContact O-N 3.48Å; S138-E141 PolarHBondContact O-N 3.47Å; S138-E141 VanDerWaalsContact OG-CB 3.23Å; S138-E141 WeakPolarHBondContact OG-CB 3.24Å; S138-E141 PolarHBondContact OG-N 3.12Å; S138-E141 VanDerWaalsContact OG-N 3.14Å; S138-A142 PolarHBondContact O-N 2.96Å; S138-A142 VanDerWaalsContact O-N 3.17Å
139	A	97.3	Very high	97.8	Very high	29 Å²	29	73.6 Å²	73.6	24%	0.24	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-33.8	175.8	0	0	0	0	0	111.8	A142 K143	A139-A142 PolarHBondContact O-N 3.03Å; A139-K143 WeakPolarHBondContact O-CB 3.17Å; A139-K143 WeakPolarHBondContact O-CG 3.45Å; A139-K143 PolarHBondContact O-N 3Å
140	D	98	Very high	97.7	Very high	117 Å²	117	75.5 Å²	75.5	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-69.8	-40.5	-179.5	-66.2	-20.2	0	0	0	112	S138 K143 A144	S138-D140 PolarHBondContact O-N 3.48Å; D140-K143 PolarHBondContact O-N 2.72Å; D140-A144 WeakPolarHBondContact O-CB 3.36Å; D140-A144 PolarHBondContact O-N 2.69Å
141	E	97.8	Very high	97.7	Very high	81 Å²	81	74.1 Å²	74.1	38%	0.379	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-43.2	174.7	-173.2	-172.8	177.1	0	0	111.7	F101 S138 A144 R145	F101-E141 HydrophobicContact CE1-CG 3.79Å; F101-E141 WeakPolarHBondContact CE1-OE1 3.48Å; F101-E141 HydrophobicContact CZ-CG 4.25Å; S138-E141 PolarHBondContact O-N 3.47Å; S138-E141 VanDerWaalsContact OG-CB 3.23Å; S138-E141 WeakPolarHBondContact OG-CB 3.24Å; S138-E141 PolarHBondContact OG-N 3.12Å; S138-E141 VanDerWaalsContact OG-N 3.14Å; E141-A144 PolarHBondContact O-N 2.94Å; E141-R145 PolarHBondContact O-N 3.06Å; E141-R145 VanDerWaalsContact O-N 3.12Å
142	A	98.3	Very high	97.6	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-67.3	-39.1	177.4	0	0	0	0	0	112.6	F93 F101 V137 S138 A139 R145 A146 Y153	F93-A142 HydrophobicContact CZ-CB 3.92Å; F101-A142 HydrophobicContact CE2-CB 3.94Å; F101-A142 HydrophobicContact CZ-CB 4.16Å; V137-A142 HydrophobicContact CG1-CB 4.35Å; S138-A142 PolarHBondContact O-N 2.96Å; S138-A142 VanDerWaalsContact O-N 3.17Å; A139-A142 PolarHBondContact O-N 3.03Å; A142-R145 PolarHBondContact O-N 3.29Å; A142-A146 PolarHBondContact O-N 3.37Å; A142-Y153 HydrophobicContact CB-CD1 4.23Å; A142-Y153 HydrophobicContact CB-CD2 4.1Å; A142-Y153 HydrophobicContact CB-CE1 3.7Å; A142-Y153 HydrophobicContact CB-CE2 3.59Å; A142-Y153 HydrophobicContact CB-CG 4.38Å; A142-Y153 WeakPolarHBondContact CB-OH 3.48Å
143	K	98	Very high	97.7	Very high	99 Å²	99	72.1 Å²	72.1	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-47.3	172.9	-75.9	170.3	-172.4	170.1	0	111.8	A139 D140 R145 A146 E147 Y153	A139-K143 WeakPolarHBondContact O-CB 3.17Å; A139-K143 WeakPolarHBondContact O-CG 3.45Å; A139-K143 PolarHBondContact O-N 3Å; D140-K143 PolarHBondContact O-N 2.72Å; K143-R145 VanDerWaalsContact C-N 3.25Å; K143-R145 PolarHBondContact O-N 2.86Å; K143-A146 PolarHBondContact O-N 3.4Å; K143-E147 WeakPolarHBondContact O-CG 3.08Å; K143-E147 PolarHBondContact O-N 3.3Å; K143-Y153 HydrophobicContact CG-CD1 3.6Å; K143-Y153 HydrophobicContact CG-CE1 4.2Å
144	A	98.4	Very high	97.7	Very high	53 Å²	53	66.5 Å²	66.5	44%	0.438	35%	0.346	S	S	.	.	H	α-helix	trans	-58.2	-39.6	179.1	0	0	0	0	0	111.7	D140 E141 Q148	D140-A144 WeakPolarHBondContact O-CB 3.36Å; D140-A144 PolarHBondContact O-N 2.69Å; E141-A144 PolarHBondContact O-N 2.94Å; A144-Q148 WeakPolarHBondContact O-CB 3.44Å; A144-Q148 PolarHBondContact O-N 3.01Å
145	R	98.2	Very high	97.8	Very high	41 Å²	41	60.6 Å²	60.6	16%	0.155	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-44.6	173.8	-175.9	174.7	-64	177.5	4.1	112.6	F101 T104 L124 E141 A142 K143 E147 Q148 W149	F101-R145 HydrophobicContact CZ-CB 4.11Å; F101-R145 VanDerWaalsContact CZ-NE 3.3Å; F101-R145 PolarHBondContact O-NH1 2.98Å; T104-R145 PolarHBondContact OG1-NH1 3.21Å; L124-R145 HydrophobicContact CD2-CB 4.46Å; L124-R145 HydrophobicContact CD2-CG 4.41Å; E141-R145 PolarHBondContact O-N 3.06Å; E141-R145 VanDerWaalsContact O-N 3.12Å; A142-R145 PolarHBondContact O-N 3.29Å; K143-R145 VanDerWaalsContact C-N 3.25Å; K143-R145 PolarHBondContact O-N 2.86Å; R145-E147 VanDerWaalsContact C-N 3.32Å; R145-E147 PolarHBondContact O-N 3.16Å; R145-Q148 WeakPolarHBondContact O-CB 3.29Å; R145-Q148 PolarHBondContact O-N 3.42Å; R145-W149 HydrophobicContact CG-CD2 4.02Å; R145-W149 HydrophobicContact CG-CE3 4.27Å; R145-W149 HydrophobicContact CG-CH2 3.95Å; R145-W149 HydrophobicContact CG-CZ2 3.64Å; R145-W149 HydrophobicContact CG-CZ3 4.24Å; R145-W149 PolarHBondContact O-N 2.85Å; R145-W149 VanDerWaalsContact O-N 3.07Å
146	A	97.7	Very high	97.8	Very high	3 Å²	3	57.3 Å²	57.3	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-64	-39.4	178.5	0	0	0	0	0	112	L124 A142 K143 W149 G150 V151	L124-A146 HydrophobicContact CD2-CB 4.14Å; A142-A146 PolarHBondContact O-N 3.37Å; K143-A146 PolarHBondContact O-N 3.4Å; A146-W149 CarbonylContact O-C 3.59Å; A146-W149 PolarHBondContact O-N 3Å; A146-G150 PolarHBondContact O-N 3.41Å; A146-V151 CarbonylContact C-O 3.47Å; A146-V151 HydrophobicContact CB-CG2 4.02Å; A146-V151 WeakPolarHBondContact CB-O 3.32Å; A146-V151 PolarHBondContact O-N 2.96Å
147	E	97.3	Very high	97.8	Very high	154 Å²	154	51.7 Å²	51.7	72%	0.72	29%	0.287	S	S	*	.	H	α-helix	trans	-61.3	-44.4	172.6	-73.3	175.5	-177	0	0	111.8	K143 R145 W149 G150	K143-E147 WeakPolarHBondContact O-CG 3.08Å; K143-E147 PolarHBondContact O-N 3.3Å; R145-E147 VanDerWaalsContact C-N 3.32Å; R145-E147 PolarHBondContact O-N 3.16Å; E147-W149 PolarHBondContact O-N 2.92Å; E147-G150 PolarHBondContact O-N 3.43Å
148	Q	96.9	Very high	97.7	Very high	158 Å²	158	51.9 Å²	51.9	74%	0.738	29%	0.289	S	S	*	.	H	α-helix	trans	-58.4	-36.7	175.3	-175.9	-175.2	1.4	0	0	112.2	A144 R145	A144-Q148 WeakPolarHBondContact O-CB 3.44Å; A144-Q148 PolarHBondContact O-N 3.01Å; R145-Q148 WeakPolarHBondContact O-CB 3.29Å; R145-Q148 PolarHBondContact O-N 3.42Å
149	W	96.6	Very high	97.6	Very high	49 Å²	49	54.5 Å²	54.5	19%	0.186	29%	0.293	C	S	.	.	H	α-helix	trans	-85.7	-9.2	178.3	-62.8	-12	0	0	0	113.8	V105 R108 F122 L124 R145 A146 E147 V151	V105-W149 HydrophobicContact CG2-CZ2 4.07Å; R108-W149 HydrophobicContact CB-CH2 4.18Å; R108-W149 HydrophobicContact CB-CZ2 4.34Å; R108-W149 HydrophobicContact CB-CZ3 4.4Å; R108-W149 HydrophobicContact CG-CD2 4.35Å; R108-W149 HydrophobicContact CG-CE3 4.47Å; F122-W149 AromaticContact CE1-CE3 3.98Å; F122-W149 HydrophobicContact CE1-CE3 3.98Å; F122-W149 AromaticContact CE1-CZ3 3.93Å; F122-W149 HydrophobicContact CE1-CZ3 3.93Å; F122-W149 HydrophobicContact CZ-CZ3 4.16Å; L124-W149 HydrophobicContact CD1-CZ3 4.1Å; L124-W149 HydrophobicContact CD2-CZ3 4.26Å; R145-W149 HydrophobicContact CG-CD2 4.02Å; R145-W149 HydrophobicContact CG-CE3 4.27Å; R145-W149 HydrophobicContact CG-CH2 3.95Å; R145-W149 HydrophobicContact CG-CZ2 3.64Å; R145-W149 HydrophobicContact CG-CZ3 4.24Å; R145-W149 PolarHBondContact O-N 2.85Å; R145-W149 VanDerWaalsContact O-N 3.07Å; A146-W149 CarbonylContact O-C 3.59Å; A146-W149 PolarHBondContact O-N 3Å; E147-W149 PolarHBondContact O-N 2.92Å; W149-V151 VanDerWaalsContact C-N 3.33Å; W149-V151 HydrophobicContact CB-CG1 4.21Å; W149-V151 HydrophobicContact CB-CG2 3.95Å; W149-V151 HydrophobicContact CE3-CG2 4.16Å
150	G	96.1	Very high	97.6	Very high	72 Å²	72	57.3 Å²	57.3	74%	0.742	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	30.7	-174.1	0	0	0	0	0	113.7	A146 E147	A146-G150 PolarHBondContact O-N 3.41Å; E147-G150 PolarHBondContact O-N 3.43Å
151	V	96.9	Very high	97.6	Very high	26 Å²	26	54.9 Å²	54.9	16%	0.158	29%	0.29	C	S	.	.			trans	-119.1	163.6	-177.4	-57.2	0	0	0	0	112	F122 L124 A146 W149	F122-V151 HydrophobicContact CB-CG1 4.18Å; F122-V151 HydrophobicContact CD1-CB 4.21Å; F122-V151 HydrophobicContact CD1-CG1 3.89Å; F122-V151 HydrophobicContact CD1-CG2 4.1Å; F122-V151 HydrophobicContact CE1-CG2 4.44Å; F122-V151 HydrophobicContact CG-CG1 4.43Å; F122-V151 WeakPolarHBondContact O-CB 3.39Å; L124-V151 HydrophobicContact CB-CG2 4.37Å; A146-V151 CarbonylContact C-O 3.47Å; A146-V151 HydrophobicContact CB-CG2 4.02Å; A146-V151 WeakPolarHBondContact CB-O 3.32Å; A146-V151 PolarHBondContact O-N 2.96Å; W149-V151 VanDerWaalsContact C-N 3.33Å; W149-V151 HydrophobicContact CB-CG1 4.21Å; W149-V151 HydrophobicContact CB-CG2 3.95Å; W149-V151 HydrophobicContact CE3-CG2 4.16Å
152	C	96.1	Very high	97.6	Very high	63 Å²	63	52.8 Å²	52.8	43%	0.426	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	140.4	174	-66.5	0	0	0	0	111.6	L123 L124	L123-C152 HydrophobicContact CG-CB 4.17Å; L124-C152 PolarHBondContact N-O 3.47Å
153	Y	98.5	Very high	97.6	Very high	37 Å²	37	56.3 Å²	56.3	15%	0.145	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.1	166.6	173.7	-120.6	0	0	0	111.1	F93 L124 A142 K143 E155	F93-Y153 AromaticContact CE1-CE2 3.8Å; F93-Y153 HydrophobicContact CE1-CE2 3.8Å; F93-Y153 AromaticContact CZ-CE2 3.78Å; F93-Y153 HydrophobicContact CZ-CE2 3.78Å; L124-Y153 HydrophobicContact CB-CD2 4.35Å; L124-Y153 HydrophobicContact CD2-CD2 4.24Å; L124-Y153 HydrophobicContact CG-CD2 4.01Å; L124-Y153 WeakPolarHBondContact O-CA 3.32Å; L124-Y153 WeakPolarHBondContact O-CD2 3.41Å; A142-Y153 HydrophobicContact CB-CD1 4.23Å; A142-Y153 HydrophobicContact CB-CD2 4.1Å; A142-Y153 HydrophobicContact CB-CE1 3.7Å; A142-Y153 HydrophobicContact CB-CE2 3.59Å; A142-Y153 HydrophobicContact CB-CG 4.38Å; A142-Y153 WeakPolarHBondContact CB-OH 3.48Å; K143-Y153 HydrophobicContact CG-CD1 3.6Å; K143-Y153 HydrophobicContact CG-CE1 4.2Å; Y153-E155 HydrophobicContact CE1-CG 3.92Å; Y153-E155 HydrophobicContact CE2-CG 4.37Å; Y153-E155 WeakPolarHBondContact OH-CG 3.17Å; Y153-E155 PolarHBondContact OH-OE1 3.08Å
154	V	98.7	Very high	97.7	Very high	11 Å²	11	51.6 Å²	51.6	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.4	175.8	-175.5	0	0	0	0	109.9	L124 V125 G126 T156 N163 K166 V167	L124-V154 PolarHBondContact O-N 3.06Å; V125-V154 WeakPolarHBondContact CA-O 3.25Å; G126-V154 PolarHBondContact N-O 3.33Å; V154-T156 HydrophobicContact CG1-CG2 4.24Å; V154-N163 HydrophobicContact CG1-CB 3.73Å; V154-K166 HydrophobicContact CG1-CD 4.17Å; V154-V167 HydrophobicContact CB-CG1 3.65Å; V154-V167 HydrophobicContact CG1-CG1 3.61Å; V154-V167 HydrophobicContact CG2-CG1 4.14Å
155	E	98.8	Very high	97.6	Very high	39 Å²	39	51.7 Å²	51.7	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.8	167.1	-72.7	-167.2	177.5	0	0	111.1	G126 R135 Y153 N163	G126-E155 CarbonylContact O-C 3.54Å; G126-E155 WeakPolarHBondContact O-CA 3.38Å; R135-E155 IonicContact CZ-OE1 2.7Å; R135-E155 IonicContact CZ-OE2 3.87Å; R135-E155 IonicContact NH1-OE1 2.93Å; R135-E155 PolarHBondContact NH1-OE1 3.16Å; R135-E155 IonicContact NH1-OE2 3.22Å; R135-E155 IonicContact NH2-OE1 3.38Å; R135-E155 PolarHBondContact NH2-OE1 3.4Å; R135-E155 IonicContact NH2-OE2 3.84Å; R135-E155 PolarHBondContact NH2-OE2 3.13Å; Y153-E155 HydrophobicContact CE1-CG 3.92Å; Y153-E155 HydrophobicContact CE2-CG 4.37Å; Y153-E155 WeakPolarHBondContact OH-CG 3.17Å; Y153-E155 PolarHBondContact OH-OE1 3.08Å; E155-N163 WeakPolarHBondContact O-CB 3.37Å; E155-N163 PolarHBondContact O-ND2 3.49Å
156	T	98.8	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.6	-179.1	59.6	0	0	0	0	111.5	V125 G126 N127 K128 S129 V154 A162 N163 V167	V125-T156 HydrophobicContact CG1-CG2 3.68Å; V125-T156 VanDerWaalsContact CG1-OG1 3.32Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.46Å; G126-T156 PolarHBondContact O-N 3.26Å; N127-T156 CarbonylContact C-O 3.53Å; N127-T156 VanDerWaalsContact CA-O 3.3Å; N127-T156 WeakPolarHBondContact CA-O 3.09Å; N127-T156 PolarHBondContact OD1-O 3.47Å; N127-T156 PolarHBondContact OD1-OG1 2.7Å; K128-T156 PolarHBondContact N-O 2.92Å; S129-T156 PolarHBondContact N-O 3.22Å; S129-T156 PolarHBondContact OG-O 2.57Å; V154-T156 HydrophobicContact CG1-CG2 4.24Å; T156-A162 VanDerWaalsContact CA-O 3.3Å; T156-A162 WeakPolarHBondContact CA-O 3.22Å; T156-N163 HydrophobicContact CG2-CB 3.9Å; T156-V167 HydrophobicContact CG2-CG1 3.59Å; T156-V167 HydrophobicContact CG2-CG2 4.12Å
157	S	98.4	Very high	97.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.288	C	S	.	.			trans	-134.3	109.1	166.2	167.1	0	0	0	0	108.3	S129 D130 K159 T160 R161 A162	S129-S157 WeakPolarHBondContact OG-CB 3.3Å; D130-S157 VanDerWaalsContact CG-OG 3.26Å; D130-S157 VanDerWaalsContact OD1-CB 3.22Å; D130-S157 WeakPolarHBondContact OD1-CB 3.41Å; D130-S157 PolarHBondContact OD1-OG 2.93Å; S157-K159 PolarHBondContact O-N 3Å; S157-K159 PolarHBondContact OG-N 2.98Å; S157-T160 WeakPolarHBondContact CB-OG1 3.45Å; S157-T160 PolarHBondContact O-N 2.93Å; S157-T160 PolarHBondContact OG-N 3.07Å; S157-T160 PolarHBondContact OG-OG1 3.11Å; S157-R161 CarbonylContact O-C 3.58Å; S157-R161 VanDerWaalsContact O-CA 3.25Å; S157-R161 WeakPolarHBondContact O-CA 3.44Å; S157-R161 PolarHBondContact O-N 2.8Å; S157-A162 PolarHBondContact N-O 3.36Å; S157-A162 PolarHBondContact O-N 2.84Å
158	A	97.2	Very high	97.8	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.6	171.3	0	0	0	0	0	111.8	A29 L30 Q33 F39 N127	A29-A158 HydrophobicContact CB-CB 3.7Å; L30-A158 HydrophobicContact CD2-CB 3.9Å; L30-A158 HydrophobicContact CG-CB 4.18Å; Q33-A158 WeakPolarHBondContact CG-O 3.36Å; Q33-A158 PolarHBondContact NE2-O 3.22Å; F39-A158 HydrophobicContact CD2-CB 4.2Å; F39-A158 HydrophobicContact CE2-CB 4.21Å; N127-A158 PolarHBondContact OD1-N 2.92Å
159	K	96.3	Very high	97.8	Very high	108 Å²	108	41 Å²	41	47%	0.47	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-47.3	-179.8	-176.9	173.1	-174.4	166.1	0	113.1	F39 E41 D130 S157	F39-K159 HydrophobicContact CD1-CB 4.27Å; F39-K159 HydrophobicContact CD1-CG 4.05Å; F39-K159 HydrophobicContact CD2-CB 4.41Å; F39-K159 HydrophobicContact CE1-CB 3.93Å; F39-K159 HydrophobicContact CE1-CD 4.16Å; F39-K159 HydrophobicContact CE1-CG 3.76Å; F39-K159 HydrophobicContact CE2-CB 4.14Å; F39-K159 HydrophobicContact CG-CB 4.48Å; F39-K159 HydrophobicContact CZ-CB 3.89Å; F39-K159 HydrophobicContact CZ-CG 4.22Å; E41-K159 IonicContact OE1-NZ 2.73Å; D130-K159 WeakPolarHBondContact OD2-CD 3.06Å; S157-K159 PolarHBondContact O-N 3Å; S157-K159 PolarHBondContact OG-N 2.98Å
160	T	97.2	Very high	97.9	Very high	88 Å²	88	40.4 Å²	40.4	54%	0.54	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-1	-176.7	64.1	0	0	0	0	113.2	D130 S157 A162	D130-T160 HydrophobicContact CB-CG2 4Å; S157-T160 WeakPolarHBondContact CB-OG1 3.45Å; S157-T160 PolarHBondContact O-N 2.93Å; S157-T160 PolarHBondContact OG-N 3.07Å; S157-T160 PolarHBondContact OG-OG1 3.11Å; T160-A162 PolarHBondContact O-N 2.95Å; T160-A162 WeakPolarHBondContact OG1-CB 3.4Å; T160-A162 PolarHBondContact OG1-N 3Å
161	R	97.6	Very high	98	Very high	67 Å²	67	37 Å²	37	25%	0.253	19%	0.192	S	C	.	.			trans	63.2	9.2	-170.9	-155	-169.2	175.5	85	-3.9	114.5	Q33 D37 S157 N163 V164 D165	Q33-R161 HydrophobicContact CG-CB 4.39Å; Q33-R161 HydrophobicContact CG-CG 3.95Å; Q33-R161 PolarHBondContact O-NH1 2.91Å; D37-R161 IonicContact OD1-CZ 3.09Å; D37-R161 IonicContact OD1-NH1 2.61Å; D37-R161 PolarHBondContact OD1-NH1 3.49Å; D37-R161 IonicContact OD1-NH2 2.82Å; D37-R161 PolarHBondContact OD1-NH2 2.84Å; S157-R161 CarbonylContact O-C 3.58Å; S157-R161 VanDerWaalsContact O-CA 3.25Å; S157-R161 WeakPolarHBondContact O-CA 3.44Å; S157-R161 PolarHBondContact O-N 2.8Å; R161-N163 PolarHBondContact O-N 2.96Å; R161-N163 VanDerWaalsContact O-N 3.13Å; R161-V164 HydrophobicContact CG-CB 4.13Å; R161-V164 HydrophobicContact CG-CG2 4.28Å; R161-V164 PolarHBondContact O-N 2.84Å; R161-D165 IonicContact CZ-OD1 3.41Å; R161-D165 IonicContact CZ-OD2 3.49Å; R161-D165 IonicContact NE-OD2 3.52Å; R161-D165 PolarHBondContact NE-OD2 2.84Å; R161-D165 VanDerWaalsContact NE-OD2 3.08Å; R161-D165 IonicContact NH2-OD1 2.7Å; R161-D165 PolarHBondContact NH2-OD1 2.9Å; R161-D165 IonicContact NH2-OD2 3.51Å; R161-D165 PolarHBondContact NH2-OD2 2.88Å; R161-D165 VanDerWaalsContact NH2-OD2 3.16Å
162	A	98.4	Very high	98.1	Very high	36 Å²	36	35.7 Å²	35.7	30%	0.298	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	123.1	178.6	0	0	0	0	0	110.8	T156 S157 T160 V164	T156-A162 VanDerWaalsContact CA-O 3.3Å; T156-A162 WeakPolarHBondContact CA-O 3.22Å; S157-A162 PolarHBondContact N-O 3.36Å; S157-A162 PolarHBondContact O-N 2.84Å; T160-A162 PolarHBondContact O-N 2.95Å; T160-A162 WeakPolarHBondContact OG1-CB 3.4Å; T160-A162 PolarHBondContact OG1-N 3Å; A162-V164 PolarHBondContact O-N 2.83Å
163	N	98.5	Very high	98.2	Very high	75 Å²	75	36.8 Å²	36.8	40%	0.401	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	13.2	179	-63.5	-39.3	0	0	0	116.5	V154 E155 T156 R161 K166 V167	V154-N163 HydrophobicContact CG1-CB 3.73Å; E155-N163 WeakPolarHBondContact O-CB 3.37Å; E155-N163 PolarHBondContact O-ND2 3.49Å; T156-N163 HydrophobicContact CG2-CB 3.9Å; R161-N163 PolarHBondContact O-N 2.96Å; R161-N163 VanDerWaalsContact O-N 3.13Å; N163-K166 HydrophobicContact CB-CB 4.17Å; N163-K166 HydrophobicContact CB-CD 4.39Å; N163-K166 WeakPolarHBondContact O-CB 3.12Å; N163-K166 PolarHBondContact O-N 3.49Å; N163-V167 PolarHBondContact O-N 3.4Å
164	V	98.4	Very high	98.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-53.9	-179.9	175.4	0	0	0	0	110.7	L30 Q33 F34 R161 A162 K166 V167 F168	L30-V164 HydrophobicContact CD2-CG2 3.79Å; Q33-V164 HydrophobicContact CB-CG1 4.27Å; Q33-V164 HydrophobicContact CG-CB 4.39Å; Q33-V164 HydrophobicContact CG-CG1 4.01Å; Q33-V164 HydrophobicContact CG-CG2 4.06Å; F34-V164 HydrophobicContact CB-CG1 3.9Å; R161-V164 HydrophobicContact CG-CB 4.13Å; R161-V164 HydrophobicContact CG-CG2 4.28Å; R161-V164 PolarHBondContact O-N 2.84Å; A162-V164 PolarHBondContact O-N 2.83Å; V164-K166 VanDerWaalsContact C-N 3.27Å; V164-K166 PolarHBondContact O-N 3.45Å; V164-V167 VanDerWaalsContact O-CG2 3.22Å; V164-V167 WeakPolarHBondContact O-CG2 3.27Å; V164-V167 PolarHBondContact O-N 2.84Å; V164-F168 HydrophobicContact CG1-CD2 4.46Å; V164-F168 HydrophobicContact CG1-CE2 4.27Å; V164-F168 VanDerWaalsContact O-CD2 3.26Å; V164-F168 WeakPolarHBondContact O-CD2 3.32Å
165	D	97.9	Very high	98.1	Very high	55 Å²	55	37.4 Å²	37.4	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-60.4	-41.9	176.6	-64.2	-50.9	0	0	0	110.8	F34 R161 V167 F168 F169	F34-D165 WeakPolarHBondContact CD2-OD1 3.27Å; R161-D165 IonicContact CZ-OD1 3.41Å; R161-D165 IonicContact CZ-OD2 3.49Å; R161-D165 IonicContact NE-OD2 3.52Å; R161-D165 PolarHBondContact NE-OD2 2.84Å; R161-D165 VanDerWaalsContact NE-OD2 3.08Å; R161-D165 IonicContact NH2-OD1 2.7Å; R161-D165 PolarHBondContact NH2-OD1 2.9Å; R161-D165 IonicContact NH2-OD2 3.51Å; R161-D165 PolarHBondContact NH2-OD2 2.88Å; R161-D165 VanDerWaalsContact NH2-OD2 3.16Å; D165-V167 PolarHBondContact O-N 3.33Å; D165-F168 PolarHBondContact O-N 3.31Å; D165-F169 HydrophobicContact CB-CD2 4.09Å; D165-F169 HydrophobicContact CB-CE2 4.32Å; D165-F169 WeakPolarHBondContact O-CB 3.38Å; D165-F169 VanDerWaalsContact O-CD2 3.24Å; D165-F169 WeakPolarHBondContact O-CD2 3.25Å; D165-F169 PolarHBondContact O-N 3.11Å
166	K	98.3	Very high	98	Very high	90 Å²	90	38.2 Å²	38.2	39%	0.391	18%	0.184	S	C	.	.	H	α-helix	trans	-51.8	-50.5	-177.4	-172.1	-173.2	-172.6	-55	0	112.2	V154 N163 V164 F168 F169 D170	V154-K166 HydrophobicContact CG1-CD 4.17Å; N163-K166 HydrophobicContact CB-CB 4.17Å; N163-K166 HydrophobicContact CB-CD 4.39Å; N163-K166 WeakPolarHBondContact O-CB 3.12Å; N163-K166 PolarHBondContact O-N 3.49Å; V164-K166 VanDerWaalsContact C-N 3.27Å; V164-K166 PolarHBondContact O-N 3.45Å; K166-F168 PolarHBondContact O-N 3Å; K166-F169 PolarHBondContact O-N 3.35Å; K166-D170 WeakPolarHBondContact CG-OD2 2.85Å; K166-D170 IonicContact NZ-OD2 3.89Å; K166-D170 PolarHBondContact NZ-OD2 3.12Å; K166-D170 VanDerWaalsContact O-CB 3.27Å; K166-D170 WeakPolarHBondContact O-CB 3.23Å; K166-D170 PolarHBondContact O-N 3.43Å
167	V	98.7	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-38.9	-176	-65	0	0	0	0	112.9	L90 L123 V125 V154 T156 N163 V164 D165 L171	L90-V167 HydrophobicContact CD1-CB 4.37Å; L90-V167 HydrophobicContact CD1-CG2 4.05Å; L90-V167 HydrophobicContact CD2-CB 4.18Å; L123-V167 HydrophobicContact CD2-CB 4.31Å; L123-V167 HydrophobicContact CD2-CG1 4.48Å; V125-V167 HydrophobicContact CG1-CG1 4.34Å; V125-V167 HydrophobicContact CG2-CB 4.29Å; V125-V167 HydrophobicContact CG2-CG1 3.98Å; V154-V167 HydrophobicContact CB-CG1 3.65Å; V154-V167 HydrophobicContact CG1-CG1 3.61Å; V154-V167 HydrophobicContact CG2-CG1 4.14Å; T156-V167 HydrophobicContact CG2-CG1 3.59Å; T156-V167 HydrophobicContact CG2-CG2 4.12Å; N163-V167 PolarHBondContact O-N 3.4Å; V164-V167 VanDerWaalsContact O-CG2 3.22Å; V164-V167 WeakPolarHBondContact O-CG2 3.27Å; V164-V167 PolarHBondContact O-N 2.84Å; D165-V167 PolarHBondContact O-N 3.33Å; V167-L171 WeakPolarHBondContact O-CB 3.24Å; V167-L171 PolarHBondContact O-N 3.2Å; V167-L171 VanDerWaalsContact O-N 3.13Å
168	F	98.6	Very high	97.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.8	-43.6	177.2	-72.6	-74.1	0	0	0	111.6	V17 M19 F34 I64 I66 L90 V164 D165 K166 M172	V17-F168 HydrophobicContact CG1-CD1 4.39Å; V17-F168 HydrophobicContact CG1-CE1 4.35Å; M19-F168 HydrophobicContact CE-CE1 4.36Å; M19-F168 HydrophobicContact CE-CZ 3.95Å; M19-F168 HydrophobicContact SD-CE1 3.74Å; M19-F168 HydrophobicContact SD-CZ 3.93Å; F34-F168 HydrophobicContact CB-CD2 3.65Å; F34-F168 HydrophobicContact CB-CE2 3.49Å; F34-F168 VanDerWaalsContact CB-CE2 3.49Å; F34-F168 HydrophobicContact CB-CZ 4.25Å; F34-F168 HydrophobicContact CD1-CD1 4.44Å; F34-F168 HydrophobicContact CD1-CD2 4.03Å; F34-F168 HydrophobicContact CD1-CE2 4.33Å; F34-F168 HydrophobicContact CD1-CG 4.11Å; F34-F168 HydrophobicContact CD2-CB 4.05Å; F34-F168 AromaticContact CD2-CD2 3.57Å; F34-F168 HydrophobicContact CD2-CD2 3.57Å; F34-F168 HydrophobicContact CD2-CE2 4.32Å; F34-F168 HydrophobicContact CD2-CG 4Å; F34-F168 HydrophobicContact CE1-CB 4.35Å; F34-F168 HydrophobicContact CE1-CG 4.3Å; F34-F168 HydrophobicContact CE2-CB 3.78Å; F34-F168 HydrophobicContact CE2-CD2 4.2Å; F34-F168 HydrophobicContact CE2-CG 4.19Å; F34-F168 HydrophobicContact CG-CB 4.42Å; F34-F168 AromaticContact CG-CD2 3.45Å; F34-F168 HydrophobicContact CG-CD2 3.45Å; F34-F168 VanDerWaalsContact CG-CD2 3.45Å; F34-F168 AromaticContact CG-CE2 3.8Å; F34-F168 HydrophobicContact CG-CE2 3.8Å; F34-F168 AromaticContact CG-CG 3.94Å; F34-F168 HydrophobicContact CG-CG 3.94Å; F34-F168 HydrophobicContact CZ-CB 3.93Å; F34-F168 HydrophobicContact CZ-CG 4.33Å; I64-F168 HydrophobicContact CD1-CB 4.31Å; I64-F168 HydrophobicContact CD1-CD1 3.97Å; I66-F168 HydrophobicContact CD1-CD1 3.91Å; I66-F168 HydrophobicContact CD1-CE1 3.57Å; I66-F168 HydrophobicContact CD1-CZ 4.17Å; I66-F168 HydrophobicContact CG1-CD1 4.41Å; I66-F168 HydrophobicContact CG1-CE1 4.12Å; I66-F168 HydrophobicContact CG2-CE1 4.17Å; L90-F168 HydrophobicContact CD1-CD1 3.68Å; L90-F168 HydrophobicContact CD1-CE1 3.52Å; L90-F168 HydrophobicContact CD1-CE2 4.39Å; L90-F168 HydrophobicContact CD1-CG 4.2Å; L90-F168 HydrophobicContact CD1-CZ 3.9Å; V164-F168 HydrophobicContact CG1-CD2 4.46Å; V164-F168 HydrophobicContact CG1-CE2 4.27Å; V164-F168 VanDerWaalsContact O-CD2 3.26Å; V164-F168 WeakPolarHBondContact O-CD2 3.32Å; D165-F168 PolarHBondContact O-N 3.31Å; K166-F168 PolarHBondContact O-N 3Å; F168-M172 WeakPolarHBondContact O-CG 3.36Å; F168-M172 PolarHBondContact O-N 2.81Å
169	F	98.4	Very high	97.3	Very high	41 Å²	41	46.4 Å²	46.4	18%	0.18	23%	0.226	C	C	.	.	H	α-helix	trans	-67.2	-43.1	178.6	-82.9	-84	0	0	0	112.4	F34 V55 V56 L57 D165 K166 M172 R173	F34-F169 HydrophobicContact CE2-CD2 4.22Å; F34-F169 AromaticContact CE2-CE2 3.89Å; F34-F169 HydrophobicContact CE2-CE2 3.89Å; F34-F169 HydrophobicContact CZ-CE2 4.4Å; V55-F169 HydrophobicContact CB-CE1 4.4Å; V55-F169 HydrophobicContact CB-CZ 4.12Å; V55-F169 HydrophobicContact CG2-CE1 4.44Å; V56-F169 WeakPolarHBondContact O-CE1 3.22Å; L57-F169 HydrophobicContact CD1-CD1 3.62Å; L57-F169 HydrophobicContact CD1-CE1 4.32Å; D165-F169 HydrophobicContact CB-CD2 4.09Å; D165-F169 HydrophobicContact CB-CE2 4.32Å; D165-F169 WeakPolarHBondContact O-CB 3.38Å; D165-F169 VanDerWaalsContact O-CD2 3.24Å; D165-F169 WeakPolarHBondContact O-CD2 3.25Å; D165-F169 PolarHBondContact O-N 3.11Å; K166-F169 PolarHBondContact O-N 3.35Å; F169-M172 HydrophobicContact CB-CE 4.42Å; F169-M172 HydrophobicContact CD1-CE 3.7Å; F169-M172 HydrophobicContact CD2-CE 4.46Å; F169-M172 HydrophobicContact CE1-CE 3.98Å; F169-M172 HydrophobicContact CG-CE 3.95Å; F169-M172 HydrophobicContact CZ-CE 4.5Å; F169-M172 PolarHBondContact O-N 3.42Å; F169-R173 WeakPolarHBondContact O-CG 3.43Å; F169-R173 PolarHBondContact O-N 3.23Å
170	D	98.4	Very high	97	Very high	36 Å²	36	46 Å²	46	19%	0.193	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-43.9	177.9	-73	-11.9	0	0	0	111.8	L123 K166 M172 R173 E174	L123-D170 HydrophobicContact CD2-CB 4.02Å; K166-D170 WeakPolarHBondContact CG-OD2 2.85Å; K166-D170 IonicContact NZ-OD2 3.89Å; K166-D170 PolarHBondContact NZ-OD2 3.12Å; K166-D170 VanDerWaalsContact O-CB 3.27Å; K166-D170 WeakPolarHBondContact O-CB 3.23Å; K166-D170 PolarHBondContact O-N 3.43Å; D170-M172 VanDerWaalsContact C-N 3.33Å; D170-M172 PolarHBondContact O-N 2.98Å; D170-R173 WeakPolarHBondContact O-CB 3.5Å; D170-R173 PolarHBondContact O-N 3.42Å; D170-R173 VanDerWaalsContact O-N 3.1Å; D170-R173 IonicContact OD1-CZ 3.51Å; D170-R173 IonicContact OD1-NH1 2.71Å; D170-R173 PolarHBondContact OD1-NH1 2.91Å; D170-E174 PolarHBondContact O-N 3.06Å
171	L	98.6	Very high	96.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-41.1	175.1	-177.4	65.3	0	0	0	111.7	V17 L90 P121 L123 V167 R173 E174 I175	V17-L171 HydrophobicContact CB-CD2 4.24Å; V17-L171 HydrophobicContact CG1-CD2 3.61Å; V17-L171 HydrophobicContact CG2-CD2 3.76Å; V17-L171 HydrophobicContact CG2-CG 4.42Å; L90-L171 HydrophobicContact CD2-CB 4.06Å; L90-L171 HydrophobicContact CD2-CD2 3.67Å; L90-L171 HydrophobicContact CD2-CG 4.39Å; L90-L171 HydrophobicContact CG-CD2 3.7Å; P121-L171 HydrophobicContact CB-CD1 3.87Å; L123-L171 HydrophobicContact CD1-CB 4.11Å; L123-L171 HydrophobicContact CD1-CD1 3.93Å; V167-L171 WeakPolarHBondContact O-CB 3.24Å; V167-L171 PolarHBondContact O-N 3.2Å; V167-L171 VanDerWaalsContact O-N 3.13Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 3.3Å; L171-E174 PolarHBondContact O-N 3.3Å; L171-I175 HydrophobicContact CG-CD1 4.14Å; L171-I175 HydrophobicContact CG-CG1 4.5Å; L171-I175 VanDerWaalsContact O-CG1 3.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.3Å
172	M	98.4	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-35.2	174.4	-76	-171.5	-69.5	0	0	112.4	H15 V55 L57 V62 I64 F168 F169 D170 I175 R176	H15-M172 HydrophobicContact CB-CG 3.99Å; H15-M172 HydrophobicContact CB-SD 4.41Å; V55-M172 HydrophobicContact CG2-CE 3.92Å; V55-M172 HydrophobicContact CG2-SD 4.04Å; L57-M172 HydrophobicContact CD1-CB 4.24Å; L57-M172 HydrophobicContact CD1-CE 4.44Å; L57-M172 HydrophobicContact CD2-CB 3.82Å; V62-M172 HydrophobicContact CG2-SD 4.37Å; I64-M172 HydrophobicContact CB-SD 3.76Å; I64-M172 HydrophobicContact CD1-CE 4.24Å; I64-M172 HydrophobicContact CD1-CG 4.09Å; I64-M172 HydrophobicContact CD1-SD 3.81Å; I64-M172 HydrophobicContact CG1-CG 4.42Å; I64-M172 HydrophobicContact CG1-SD 3.98Å; F168-M172 WeakPolarHBondContact O-CG 3.36Å; F168-M172 PolarHBondContact O-N 2.81Å; F169-M172 HydrophobicContact CB-CE 4.42Å; F169-M172 HydrophobicContact CD1-CE 3.7Å; F169-M172 HydrophobicContact CD2-CE 4.46Å; F169-M172 HydrophobicContact CE1-CE 3.98Å; F169-M172 HydrophobicContact CG-CE 3.95Å; F169-M172 HydrophobicContact CZ-CE 4.5Å; F169-M172 PolarHBondContact O-N 3.42Å; D170-M172 VanDerWaalsContact C-N 3.33Å; D170-M172 PolarHBondContact O-N 2.98Å; M172-I175 PolarHBondContact O-N 3.09Å; M172-R176 VanDerWaalsContact O-CB 3.3Å; M172-R176 WeakPolarHBondContact O-CB 3.44Å; M172-R176 PolarHBondContact O-N 2.9Å
173	R	98.3	Very high	95.3	Very high	85 Å²	85	47.8 Å²	47.8	32%	0.321	24%	0.236	S	C	.	.	H	α-helix	trans	-64	-43.8	173.6	-68	175.5	-176.2	110.2	5.2	111.4	L57 D58 F169 D170 L171 R176 A177	L57-R173 HydrophobicContact CD1-CG 3.9Å; D58-R173 IonicContact OD1-CZ 2.75Å; D58-R173 IonicContact OD1-NE 2.98Å; D58-R173 PolarHBondContact OD1-NE 2.81Å; D58-R173 VanDerWaalsContact OD1-NE 3.09Å; D58-R173 IonicContact OD1-NH2 2.75Å; D58-R173 PolarHBondContact OD1-NH2 2.73Å; D58-R173 IonicContact OD2-NE 3.08Å; D58-R173 PolarHBondContact OD2-NE 3.39Å; F169-R173 WeakPolarHBondContact O-CG 3.43Å; F169-R173 PolarHBondContact O-N 3.23Å; D170-R173 WeakPolarHBondContact O-CB 3.5Å; D170-R173 PolarHBondContact O-N 3.42Å; D170-R173 VanDerWaalsContact O-N 3.1Å; D170-R173 IonicContact OD1-CZ 3.51Å; D170-R173 IonicContact OD1-NH1 2.71Å; D170-R173 PolarHBondContact OD1-NH1 2.91Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 3.3Å; R173-R176 PolarHBondContact O-N 3.42Å; R173-A177 WeakPolarHBondContact O-CB 3.33Å; R173-A177 PolarHBondContact O-N 3.19Å
174	E	97.9	Very high	94.5	Very high	59 Å²	59	51.7 Å²	51.7	28%	0.276	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-46.2	175.3	-69.5	-174.4	-173.2	0	0	111.6	P121 F122 L123 D170 L171 R176 A177 R178	P121-E174 HydrophobicContact CB-CB 3.83Å; P121-E174 HydrophobicContact CG-CB 4.36Å; F122-E174 PolarHBondContact N-OE2 2.88Å; F122-E174 VanDerWaalsContact N-OE2 3.15Å; L123-E174 WeakPolarHBondContact CD1-OE1 3.33Å; D170-E174 PolarHBondContact O-N 3.06Å; L171-E174 PolarHBondContact O-N 3.3Å; E174-R176 VanDerWaalsContact C-N 3.33Å; E174-R176 PolarHBondContact O-N 3.29Å; E174-A177 PolarHBondContact O-N 3.03Å; E174-R178 WeakPolarHBondContact O-CB 3.5Å; E174-R178 PolarHBondContact O-N 3.49Å
175	I	97.4	Very high	93.3	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-46.2	175.2	-64.7	167.5	0	0	0	110.6	H15 V17 E87 P121 L171 M172 R178 K179	H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 VanDerWaalsContact ND1-CG2 3.34Å; H15-I175 WeakPolarHBondContact ND1-CG2 3.36Å; V17-I175 HydrophobicContact CG2-CD1 4.02Å; E87-I175 HydrophobicContact CB-CD1 4.18Å; E87-I175 HydrophobicContact CB-CG1 4.26Å; E87-I175 HydrophobicContact CB-CG2 3.75Å; P121-I175 HydrophobicContact CB-CG1 3.83Å; P121-I175 HydrophobicContact CG-CG1 4.09Å; L171-I175 HydrophobicContact CG-CD1 4.14Å; L171-I175 HydrophobicContact CG-CG1 4.5Å; L171-I175 VanDerWaalsContact O-CG1 3.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.3Å; M172-I175 PolarHBondContact O-N 3.09Å; I175-R178 PolarHBondContact O-N 3.3Å; I175-K179 HydrophobicContact CG2-CD 4.22Å; I175-K179 HydrophobicContact CG2-CG 4.5Å; I175-K179 WeakPolarHBondContact O-CG 3.38Å; I175-K179 PolarHBondContact O-N 3.46Å
176	R	96.4	Very high	92.1	Very high	56 Å²	56	60.9 Å²	60.9	21%	0.211	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-45.6	179.3	-173.9	-179.6	68.7	-168.5	-8.1	111	L57 D58 M172 R173 E174 R178 K179 M180	L57-R176 PolarHBondContact O-NH1 2.8Å; D58-R176 IonicContact OD2-CZ 3.08Å; D58-R176 IonicContact OD2-NH1 3.86Å; D58-R176 IonicContact OD2-NH2 2.8Å; D58-R176 PolarHBondContact OD2-NH2 2.73Å; M172-R176 VanDerWaalsContact O-CB 3.3Å; M172-R176 WeakPolarHBondContact O-CB 3.44Å; M172-R176 PolarHBondContact O-N 2.9Å; R173-R176 PolarHBondContact O-N 3.42Å; E174-R176 VanDerWaalsContact C-N 3.33Å; E174-R176 PolarHBondContact O-N 3.29Å; R176-R178 PolarHBondContact O-N 2.78Å; R176-K179 PolarHBondContact O-N 3.15Å; R176-M180 HydrophobicContact CG-CE 3.96Å; R176-M180 WeakPolarHBondContact O-CG 3.13Å; R176-M180 PolarHBondContact O-N 3.07Å; R176-M180 VanDerWaalsContact O-N 3.09Å
177	A	94.8	Very high	90.7	Very high	47 Å²	47	61.3 Å²	61.3	39%	0.388	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-47.6	177	0	0	0	0	0	111.2	R173 E174 K179 M180 E181	R173-A177 WeakPolarHBondContact O-CB 3.33Å; R173-A177 PolarHBondContact O-N 3.19Å; E174-A177 PolarHBondContact O-N 3.03Å; A177-K179 PolarHBondContact O-N 3.34Å; A177-M180 WeakPolarHBondContact O-CB 3.33Å; A177-M180 PolarHBondContact O-N 3.27Å; A177-M180 VanDerWaalsContact O-N 3.1Å; A177-E181 PolarHBondContact O-N 3.17Å
178	R	93.3	Very high	89	Confident	63 Å²	63	63.3 Å²	63.3	24%	0.238	32%	0.315	C	S	.	.	H	α-helix	trans	-59.3	-45.3	177.8	-169.5	62.2	169.5	166	-2.7	112.7	D117 P121 E174 I175 R176 M180 E181 D182	D117-R178 VanDerWaalsContact CG-NH2 3.25Å; D117-R178 IonicContact OD1-NH2 2.92Å; D117-R178 PolarHBondContact OD1-NH2 3.13Å; D117-R178 VanDerWaalsContact OD1-NH2 3.12Å; D117-R178 IonicContact OD2-CZ 3.92Å; D117-R178 IonicContact OD2-NE 3.39Å; D117-R178 IonicContact OD2-NH2 3.12Å; D117-R178 PolarHBondContact OD2-NH2 2.83Å; P121-R178 HydrophobicContact CG-CB 4.11Å; P121-R178 HydrophobicContact CG-CG 4.42Å; E174-R178 WeakPolarHBondContact O-CB 3.5Å; E174-R178 PolarHBondContact O-N 3.49Å; I175-R178 PolarHBondContact O-N 3.3Å; R176-R178 PolarHBondContact O-N 2.78Å; R178-M180 VanDerWaalsContact C-N 3.27Å; R178-M180 PolarHBondContact O-N 2.99Å; R178-E181 IonicContact NH1-OE2 2.72Å; R178-E181 PolarHBondContact NH1-OE2 3.49Å; R178-E181 PolarHBondContact O-N 3.07Å; R178-D182 PolarHBondContact O-N 3.05Å
179	K	92.1	Very high	87.4	Confident	66 Å²	66	69.8 Å²	69.8	29%	0.287	34%	0.344	S	S	.	.	H	α-helix	trans	-60.9	-35.3	175.9	-73.9	-178.5	-179.7	-171.9	0	112.8	L14 E87 I175 R176 A177 S183	L14-K179 PolarHBondContact O-NZ 3.12Å; E87-K179 WeakPolarHBondContact OE1-CE 3.42Å; E87-K179 IonicContact OE1-NZ 2.73Å; E87-K179 PolarHBondContact OE1-NZ 2.86Å; E87-K179 VanDerWaalsContact OE2-CE 3.25Å; E87-K179 WeakPolarHBondContact OE2-CE 3.23Å; E87-K179 IonicContact OE2-NZ 3.47Å; E87-K179 PolarHBondContact OE2-NZ 3.07Å; I175-K179 HydrophobicContact CG2-CD 4.22Å; I175-K179 HydrophobicContact CG2-CG 4.5Å; I175-K179 WeakPolarHBondContact O-CG 3.38Å; I175-K179 PolarHBondContact O-N 3.46Å; R176-K179 PolarHBondContact O-N 3.15Å; A177-K179 PolarHBondContact O-N 3.34Å; K179-S183 WeakPolarHBondContact O-CB 3.37Å; K179-S183 PolarHBondContact O-N 3.46Å; K179-S183 PolarHBondContact O-OG 2.82Å
180	M	90.1	Very high	85.6	Confident	101 Å²	101	75 Å²	75	50%	0.498	37%	0.366	S	S	.	.	H	α-helix	trans	-69.6	-39.4	176.5	-70.2	-170.6	-178.5	0	0	112	R176 A177 R178 S183 K184	R176-M180 HydrophobicContact CG-CE 3.96Å; R176-M180 WeakPolarHBondContact O-CG 3.13Å; R176-M180 PolarHBondContact O-N 3.07Å; R176-M180 VanDerWaalsContact O-N 3.09Å; A177-M180 WeakPolarHBondContact O-CB 3.33Å; A177-M180 PolarHBondContact O-N 3.27Å; A177-M180 VanDerWaalsContact O-N 3.1Å; R178-M180 VanDerWaalsContact C-N 3.27Å; R178-M180 PolarHBondContact O-N 2.99Å; M180-S183 PolarHBondContact O-N 3.49Å; M180-K184 WeakPolarHBondContact O-CG 3.47Å; M180-K184 PolarHBondContact O-N 2.9Å; M180-K184 VanDerWaalsContact O-N 3.1Å
181	E	89.4	Confident	83.9	Confident	98 Å²	98	80.8 Å²	80.8	46%	0.458	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-51.1	175.2	-70	174.1	175.3	0	0	111.6	A177 R178 S183 K184 E185	A177-E181 PolarHBondContact O-N 3.17Å; R178-E181 IonicContact NH1-OE2 2.72Å; R178-E181 PolarHBondContact NH1-OE2 3.49Å; R178-E181 PolarHBondContact O-N 3.07Å; E181-S183 PolarHBondContact O-N 3.3Å; E181-K184 WeakPolarHBondContact O-CB 3.44Å; E181-K184 PolarHBondContact O-N 3.04Å; E181-E185 PolarHBondContact O-N 3.01Å
182	D	85.4	Confident	82.2	Confident	60 Å²	60	84.4 Å²	84.4	32%	0.321	42%	0.415	S	S	.	.	H	α-helix	trans	-56.1	-39	177.7	-76.7	-6.6	0	0	0	112.4	R178 K186	R178-D182 PolarHBondContact O-N 3.05Å; D182-K186 WeakPolarHBondContact O-CB 3.49Å; D182-K186 VanDerWaalsContact O-CG 3.23Å; D182-K186 WeakPolarHBondContact O-CG 3.47Å; D182-K186 PolarHBondContact O-N 3.01Å; D182-K186 VanDerWaalsContact O-N 3.08Å
183	S	82.8	Confident	80.6	Confident	70 Å²	70	92 Å²	92	49%	0.49	45%	0.448	S	S	.	.	H	α-helix	trans	-68.6	-38.7	178.9	-62.9	0	0	0	0	111.8	K179 M180 E181 N187	K179-S183 WeakPolarHBondContact O-CB 3.37Å; K179-S183 PolarHBondContact O-N 3.46Å; K179-S183 PolarHBondContact O-OG 2.82Å; M180-S183 PolarHBondContact O-N 3.49Å; E181-S183 PolarHBondContact O-N 3.3Å; S183-N187 WeakPolarHBondContact O-CB 3.47Å; S183-N187 PolarHBondContact O-N 3.13Å; S183-N187 VanDerWaalsContact O-N 3.12Å
184	K	80	Confident	79.2	Confident	156 Å²	156	91 Å²	91	68%	0.678	45%	0.454	S	S	*	.	H	α-helix	trans	-66.6	-44.6	175.7	-73.9	172.9	-177.1	174.3	0	111.3	M180 E181 N187 G188	M180-K184 WeakPolarHBondContact O-CG 3.47Å; M180-K184 PolarHBondContact O-N 2.9Å; M180-K184 VanDerWaalsContact O-N 3.1Å; E181-K184 WeakPolarHBondContact O-CB 3.44Å; E181-K184 PolarHBondContact O-N 3.04Å; K184-N187 PolarHBondContact O-N 3.34Å; K184-G188 PolarHBondContact O-N 2.96Å
185	E	75.1	Confident	77.8	Confident	115 Å²	115	93.1 Å²	93.1	54%	0.537	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-44.2	177.9	-70.8	-164.3	174.5	0	0	112.7	E181 N187 G188 K189	E181-E185 PolarHBondContact O-N 3.01Å; E185-N187 VanDerWaalsContact C-N 3.3Å; E185-N187 PolarHBondContact O-N 3.41Å; E185-G188 PolarHBondContact O-N 3.11Å; E185-K189 PolarHBondContact O-N 3.42Å
186	K	72.8	Confident	76.2	Confident	134 Å²	134	94.6 Å²	94.6	58%	0.583	48%	0.479	S	S	*	.	H	α-helix	trans	-61.9	-39.6	177.1	-73.6	171.2	-172.1	170.1	0	111.3	D182 K190	D182-K186 WeakPolarHBondContact O-CB 3.49Å; D182-K186 VanDerWaalsContact O-CG 3.23Å; D182-K186 WeakPolarHBondContact O-CG 3.47Å; D182-K186 PolarHBondContact O-N 3.01Å; D182-K186 VanDerWaalsContact O-N 3.08Å; K186-K190 WeakPolarHBondContact O-CB 3.34Å; K186-K190 WeakPolarHBondContact O-CG 3.48Å; K186-K190 PolarHBondContact O-N 3.37Å
187	N	67.6	Low	74.8	Confident	99 Å²	99	97.8 Å²	97.8	53%	0.529	50%	0.495	S	S	.	.	H	α-helix	trans	-71.6	-36.1	175.8	-87.1	-5.5	0	0	0	113.1	S183 K184 E185 K190 K191	S183-N187 WeakPolarHBondContact O-CB 3.47Å; S183-N187 PolarHBondContact O-N 3.13Å; S183-N187 VanDerWaalsContact O-N 3.12Å; K184-N187 PolarHBondContact O-N 3.34Å; E185-N187 VanDerWaalsContact C-N 3.3Å; E185-N187 PolarHBondContact O-N 3.41Å; N187-K190 PolarHBondContact O-N 2.7Å; N187-K191 WeakPolarHBondContact O-CB 3.45Å; N187-K191 PolarHBondContact O-N 2.6Å
188	G	64	Low	73.3	Confident	41 Å²	41	104.4 Å²	104.4	42%	0.423	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-47.2	173	0	0	0	0	0	112.4	K184 E185 K190 K191 S192	K184-G188 PolarHBondContact O-N 2.96Å; E185-G188 PolarHBondContact O-N 3.11Å; G188-K190 PolarHBondContact O-N 3.05Å; G188-K191 PolarHBondContact O-N 3.14Å; G188-S192 WeakPolarHBondContact O-CB 3.36Å; G188-S192 PolarHBondContact O-N 3.02Å
189	K	63.8	Low	72	Confident	137 Å²	137	105.9 Å²	105.9	60%	0.596	52%	0.521	S	S	*	.	H	α-helix	trans	-63.6	-38.8	175.1	-72.5	174	-178.1	163.6	0	112.1	E185 K193	E185-K189 PolarHBondContact O-N 3.42Å; K189-K193 WeakPolarHBondContact O-CB 3.49Å; K189-K193 WeakPolarHBondContact O-CG 3.19Å; K189-K193 PolarHBondContact O-N 3.4Å
190	K	62	Low	70.4	Confident	149 Å²	149	110.4 Å²	110.4	65%	0.648	54%	0.537	S	S	*	.	H	α-helix	trans	-64.7	-44.2	173.6	-80.8	178.9	-178.6	176.4	0	112.4	K186 N187 G188 K193 S194	K186-K190 WeakPolarHBondContact O-CB 3.34Å; K186-K190 WeakPolarHBondContact O-CG 3.48Å; K186-K190 PolarHBondContact O-N 3.37Å; N187-K190 PolarHBondContact O-N 2.7Å; G188-K190 PolarHBondContact O-N 3.05Å; K190-K193 PolarHBondContact O-N 2.91Å; K190-S194 WeakPolarHBondContact O-CB 3.19Å; K190-S194 PolarHBondContact O-N 2.94Å; K190-S194 PolarHBondContact O-OG 3.17Å
191	K	60.9	Low	68.9	Low	158 Å²	158	110.9 Å²	110.9	69%	0.687	54%	0.538	S	S	*	.	H	α-helix	trans	-61.9	-46.1	175.8	-80.5	-173.6	178	-178.3	0	111.5	N187 G188 S194 L195	N187-K191 WeakPolarHBondContact O-CB 3.45Å; N187-K191 PolarHBondContact O-N 2.6Å; G188-K191 PolarHBondContact O-N 3.14Å; K191-S194 WeakPolarHBondContact CA-OG 3.46Å; K191-S194 PolarHBondContact O-N 3.29Å; K191-S194 PolarHBondContact O-OG 3.2Å; K191-L195 WeakPolarHBondContact O-CB 3.3Å; K191-L195 PolarHBondContact O-N 3.5Å
192	S	63.7	Low	67.4	Low	76 Å²	76	116.7 Å²	116.7	53%	0.531	56%	0.555	S	S	.	*	H	α-helix	trans	-61.1	-44.3	176.5	-178.7	0	0	0	0	112.4	G188 S194 L195 A196	G188-S192 WeakPolarHBondContact O-CB 3.36Å; G188-S192 PolarHBondContact O-N 3.02Å; S192-S194 PolarHBondContact O-N 3.25Å; S192-L195 PolarHBondContact O-N 3.32Å; S192-A196 VanDerWaalsContact O-CB 3.32Å; S192-A196 WeakPolarHBondContact O-CB 3.3Å; S192-A196 PolarHBondContact O-N 3.49Å
193	K	64.6	Low	65.6	Low	160 Å²	160	118.6 Å²	118.6	70%	0.696	57%	0.572	S	S	*	*	H	α-helix	trans	-63.4	-38.7	173.5	-74.7	-176.3	179.3	-175.6	0	112.8	K189 K190 K197	K189-K193 WeakPolarHBondContact O-CB 3.49Å; K189-K193 WeakPolarHBondContact O-CG 3.19Å; K189-K193 PolarHBondContact O-N 3.4Å; K190-K193 PolarHBondContact O-N 2.91Å; K193-K197 VanDerWaalsContact O-CB 3.31Å; K193-K197 WeakPolarHBondContact O-CB 3.48Å; K193-K197 PolarHBondContact O-N 2.91Å
194	S	68.6	Low	63.6	Low	65 Å²	65	120.4 Å²	120.4	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-69.9	-36.1	177.3	76.7	0	0	0	0	112.8	K190 K191 S192 K197 R198	K190-S194 WeakPolarHBondContact O-CB 3.19Å; K190-S194 PolarHBondContact O-N 2.94Å; K190-S194 PolarHBondContact O-OG 3.17Å; K191-S194 WeakPolarHBondContact CA-OG 3.46Å; K191-S194 PolarHBondContact O-N 3.29Å; K191-S194 PolarHBondContact O-OG 3.2Å; S192-S194 PolarHBondContact O-N 3.25Å; S194-K197 PolarHBondContact O-N 3.25Å; S194-R198 WeakPolarHBondContact O-CB 3.3Å; S194-R198 WeakPolarHBondContact O-CG 3.45Å; S194-R198 PolarHBondContact O-N 3.14Å
195	L	68.8	Low	61.9	Low	102 Å²	102	119.7 Å²	119.7	53%	0.534	59%	0.586	S	S	.	*	H	α-helix	trans	-70.4	-46.1	175.5	-176.4	64	0	0	0	110.6	K191 S192 K197 R198 I199	K191-L195 WeakPolarHBondContact O-CB 3.3Å; K191-L195 PolarHBondContact O-N 3.5Å; S192-L195 PolarHBondContact O-N 3.32Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 3.47Å; L195-R198 PolarHBondContact O-N 3Å; L195-I199 HydrophobicContact CD1-CD1 4.21Å; L195-I199 HydrophobicContact CD1-CG1 4.45Å; L195-I199 HydrophobicContact CG-CD1 3.91Å; L195-I199 VanDerWaalsContact O-CG1 3.31Å; L195-I199 WeakPolarHBondContact O-CG1 3.41Å; L195-I199 PolarHBondContact O-N 3.48Å
196	A	64.2	Low	60.1	Low	34 Å²	34	125.7 Å²	125.7	28%	0.281	62%	0.62	S	S	.	*	H	α-helix	trans	-61.3	-35.3	174.1	0	0	0	0	0	112.3	S192 R200	S192-A196 VanDerWaalsContact O-CB 3.32Å; S192-A196 WeakPolarHBondContact O-CB 3.3Å; S192-A196 PolarHBondContact O-N 3.49Å; A196-R200 WeakPolarHBondContact O-CB 3.23Å; A196-R200 WeakPolarHBondContact O-CG 3.44Å; A196-R200 PolarHBondContact O-N 3.49Å; A196-R200 VanDerWaalsContact O-N 3.14Å; A196-R200 PolarHBondContact O-NE 2.93Å
197	K	66.4	Low	59.5	Low	123 Å²	123	125.3 Å²	125.3	54%	0.535	62%	0.622	S	S	.	*	H	α-helix	trans	-65.7	-48.1	172.1	-173.9	176.3	175.6	179.2	0	111.6	K193 S194 L195 I199 R200 E201	K193-K197 VanDerWaalsContact O-CB 3.31Å; K193-K197 WeakPolarHBondContact O-CB 3.48Å; K193-K197 PolarHBondContact O-N 2.91Å; S194-K197 PolarHBondContact O-N 3.25Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 3.47Å; K197-I199 PolarHBondContact O-N 2.68Å; K197-R200 PolarHBondContact O-N 3.13Å; K197-E201 WeakPolarHBondContact CE-OE1 3.5Å; K197-E201 WeakPolarHBondContact CG-OE1 3.49Å; K197-E201 WeakPolarHBondContact O-CG 3.33Å; K197-E201 PolarHBondContact O-N 3.28Å
198	R	64.4	Low	59	Low	185 Å²	185	126.6 Å²	126.6	70%	0.698	63%	0.627	S	S	*	*	H	α-helix	trans	-62.4	-37.4	176.9	-83.7	178.4	156.2	-172.2	-5.7	113.8	S194 L195 R202	S194-R198 WeakPolarHBondContact O-CB 3.3Å; S194-R198 WeakPolarHBondContact O-CG 3.45Å; S194-R198 PolarHBondContact O-N 3.14Å; L195-R198 PolarHBondContact O-N 3Å; R198-R202 PolarHBondContact O-N 3.35Å
199	I	64.5	Low	58.8	Low	95 Å²	95	131.4 Å²	131.4	49%	0.487	64%	0.638	S	S	.	*	H	α-helix	trans	-68.1	-44.3	176.8	-69.5	168.7	0	0	0	110.2	L195 K197 E201 R202 C203	L195-I199 HydrophobicContact CD1-CD1 4.21Å; L195-I199 HydrophobicContact CD1-CG1 4.45Å; L195-I199 HydrophobicContact CG-CD1 3.91Å; L195-I199 VanDerWaalsContact O-CG1 3.31Å; L195-I199 WeakPolarHBondContact O-CG1 3.41Å; L195-I199 PolarHBondContact O-N 3.48Å; K197-I199 PolarHBondContact O-N 2.68Å; I199-E201 PolarHBondContact O-N 2.93Å; I199-R202 PolarHBondContact O-N 2.93Å; I199-C203 PolarHBondContact O-N 3.09Å; I199-C203 VanDerWaalsContact O-N 3.11Å
200	R	58.5	Low	58.5	Low	160 Å²	160	131.1 Å²	131.1	60%	0.604	64%	0.641	S	S	*	*	H	α-helix	trans	-61.6	-42.3	175.4	-77.9	-176.9	-70.9	-126.8	-0.5	112.7	A196 K197 R202 C203 C204	A196-R200 WeakPolarHBondContact O-CB 3.23Å; A196-R200 WeakPolarHBondContact O-CG 3.44Å; A196-R200 PolarHBondContact O-N 3.49Å; A196-R200 VanDerWaalsContact O-N 3.14Å; A196-R200 PolarHBondContact O-NE 2.93Å; K197-R200 PolarHBondContact O-N 3.13Å; R200-R202 VanDerWaalsContact C-N 3.26Å; R200-R202 PolarHBondContact O-N 3.38Å; R200-C203 PolarHBondContact O-N 2.98Å; R200-C204 PolarHBondContact O-N 3.27Å; R200-C204 PolarHBondContact O-SG 3.3Å; R200-C204 VanDerWaalsContact O-SG 3.38Å
201	E	60	Low	58.2	Low	111 Å²	111	129.9 Å²	129.9	52%	0.519	64%	0.64	S	S	.	*	H	α-helix	trans	-66.3	-26.6	177.7	-73.1	167.9	177.7	0	0	113	K197 I199	K197-E201 WeakPolarHBondContact CE-OE1 3.5Å; K197-E201 WeakPolarHBondContact CG-OE1 3.49Å; K197-E201 WeakPolarHBondContact O-CG 3.33Å; K197-E201 PolarHBondContact O-N 3.28Å; I199-E201 PolarHBondContact O-N 2.93Å
202	R	56.7	Low	58.1	Low	220 Å²	220	128.1 Å²	128.1	83%	0.83	64%	0.637	S	S	*	*	H	α-helix	trans	-81.3	-26.4	174.1	-96.7	-178.8	165.2	-173.9	-5.2	114.2	R198 I199 R200	R198-R202 PolarHBondContact O-N 3.35Å; I199-R202 PolarHBondContact O-N 2.93Å; R200-R202 VanDerWaalsContact C-N 3.26Å; R200-R202 PolarHBondContact O-N 3.38Å
203	C	47.3	Very low	57.7	Low	100 Å²	100	131.8 Å²	131.8	68%	0.676	65%	0.645	S	S	*	*	H	α-helix	trans	-86.9	-9.8	179.7	-76.3	0	0	0	0	114	I199 R200	I199-C203 PolarHBondContact O-N 3.09Å; I199-C203 VanDerWaalsContact O-N 3.11Å; R200-C203 PolarHBondContact O-N 2.98Å
204	C	41.9	Very low	57.1	Low	108 Å²	108	129.6 Å²	129.6	73%	0.73	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	16.8	179.7	-67.2	0	0	0	0	114.5	R200	R200-C204 PolarHBondContact O-N 3.27Å; R200-C204 PolarHBondContact O-SG 3.3Å; R200-C204 VanDerWaalsContact O-SG 3.38Å
205	I	44.1	Very low	56.2	Low	141 Å²	141	135 Å²	135	72%	0.723	66%	0.657	S	S	*	*			trans	-122.2	68	171.4	-48.8	175.6	0	0	0	108
206	L	37.3	Very low	55	Low	241 Å²	241	138 Å²	138	100%	1.262	67%	0.668	S	S	*	*			trans	-155.5	0	157	-86.1	-177.7	0	0	0	107.9

Retrieved 206 of 206 residues in 302.4 ms (Link to these results)

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