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Cytochrome c oxidase subunit 2

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A059SAH5, Species HUMAN (Homo sapiens, Human), Gene COX2, Length 227 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	92.9	Very high	96.9	Very high	91 Å²	91	87 Å²	87	45%	0.448	55%	0.547	S	S	.	.				0	168.1	0	66.6	173.8	-72.6	0	0	109.4	Q10 L133 L136 Y193	M1-Q10 VanDerWaalsContact C-CD 3.43Å; M1-L133 HydrophobicContact CE-CD1 3.7Å; M1-L133 HydrophobicContact CE-CD2 3.79Å; M1-L133 HydrophobicContact CE-CG 4.3Å; M1-L133 HydrophobicContact SD-CD1 3.19Å; M1-L133 WeakPolarHBondContact SD-CD1 3.36Å; M1-L133 HydrophobicContact SD-CD2 3.8Å; M1-L133 HydrophobicContact SD-CG 4.11Å; M1-L136 HydrophobicContact CE-CD1 3.9Å; M1-Y193 HydrophobicContact CB-CD2 3.94Å; M1-Y193 HydrophobicContact CB-CG 4.46Å
2	A	96.9	Very high	97	Very high	49 Å²	49	80.9 Å²	80.9	41%	0.405	51%	0.511	S	S	.	.			trans	-67.6	145.7	171.5	0	0	0	0	0	111.2	Q10	A2-Q10 HydrophobicContact CB-CG 4.45Å; A2-Q10 VanDerWaalsContact N-CD 3.26Å; A2-Q10 VanDerWaalsContact N-NE2 3.17Å
3	H	96.7	Very high	97	Very high	123 Å²	123	74.9 Å²	74.9	57%	0.569	47%	0.473	S	S	*	.			trans	-115.6	165.5	174.8	62.1	73.1	0	0	0	111.5	A5 Q6	H3-A5 PolarHBondContact O-N 2.79Å; H3-Q6 VanDerWaalsContact N-OE1 3.12Å; H3-Q6 WeakPolarHBondContact O-CB 3.49Å; H3-Q6 PolarHBondContact O-N 3.07Å
4	A	97.2	Very high	97	Very high	95 Å²	95	69.7 Å²	69.7	79%	0.785	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	140.3	178.8	0	0	0	0	0	111.1	Q6	A4-Q6 PolarHBondContact O-N 3.48Å; A4-Q6 VanDerWaalsContact O-N 3.17Å
5	A	97.1	Very high	96.9	Very high	103 Å²	103	69.3 Å²	69.3	85%	0.851	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	24.7	-179.7	0	0	0	0	0	115.3	H3	H3-A5 PolarHBondContact O-N 2.79Å
6	Q	97.8	Very high	96.9	Very high	48 Å²	48	67.3 Å²	67.3	22%	0.224	42%	0.423	C	S	.	.			trans	-66.2	137.1	173.5	-170.9	171.2	8.3	0	0	111.5	H3 A4 L9 Q10	H3-Q6 VanDerWaalsContact N-OE1 3.12Å; H3-Q6 WeakPolarHBondContact O-CB 3.49Å; H3-Q6 PolarHBondContact O-N 3.07Å; A4-Q6 PolarHBondContact O-N 3.48Å; A4-Q6 VanDerWaalsContact O-N 3.17Å; Q6-L9 VanDerWaalsContact NE2-C 3.31Å; Q6-L9 PolarHBondContact NE2-O 3.25Å; Q6-Q10 VanDerWaalsContact NE2-CA 3.34Å
7	V	96.8	Very high	96.9	Very high	147 Å²	147	64.1 Å²	64.1	89%	0.891	40%	0.402	S	S	*	.			trans	-110.4	-36.5	179.4	179	0	0	0	0	112
8	G	96.6	Very high	97	Very high	53 Å²	53	65.8 Å²	65.8	55%	0.546	40%	0.404	S	S	.	.	S	Bend	trans	-94.1	-169.4	-178.3	0	0	0	0	0	114
9	L	98	Very high	97	Very high	77 Å²	77	65.7 Å²	65.7	40%	0.403	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-65.4	159	170.9	-60.9	173.6	0	0	0	110.9	Q6 M17 H24	Q6-L9 VanDerWaalsContact NE2-C 3.31Å; Q6-L9 PolarHBondContact NE2-O 3.25Å; L9-M17 HydrophobicContact CB-CE 4.01Å; L9-M17 HydrophobicContact CD1-CE 3.9Å; L9-M17 HydrophobicContact CD2-CE 4.45Å; L9-M17 HydrophobicContact CG-CE 4.34Å; L9-H24 HydrophobicContact CD1-CB 4.13Å
10	Q	98.2	Very high	97.1	Very high	37 Å²	37	65.2 Å²	65.2	17%	0.173	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-71.1	150.1	169	-60.6	-178.3	25.5	0	0	110	M1 A2 Q6 A12 T167	M1-Q10 VanDerWaalsContact C-CD 3.43Å; A2-Q10 HydrophobicContact CB-CG 4.45Å; A2-Q10 VanDerWaalsContact N-CD 3.26Å; A2-Q10 VanDerWaalsContact N-NE2 3.17Å; Q6-Q10 VanDerWaalsContact NE2-CA 3.34Å; Q10-A12 PolarHBondContact O-N 3.37Å; Q10-T167 HydrophobicContact CB-CG2 3.8Å
11	D	98	Very high	97.2	Very high	134 Å²	134	64 Å²	64	72%	0.717	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-54.1	127.6	179.1	-64.9	-12	0	0	0	111.4
12	A	98	Very high	97.4	Very high	14 Å²	14	63.7 Å²	63.7	12%	0.116	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-67.9	131.9	-176.1	0	0	0	0	0	112	Q10 M17 E18 R188	Q10-A12 PolarHBondContact O-N 3.37Å; A12-M17 HydrophobicContact CB-CB 3.73Å; A12-M17 HydrophobicContact CB-CG 3.59Å; A12-E18 HydrophobicContact CB-CB 4.3Å; A12-E18 HydrophobicContact CB-CG 3.52Å; A12-R188 VanDerWaalsContact O-CZ 3.28Å; A12-R188 PolarHBondContact O-NH1 2.79Å; A12-R188 PolarHBondContact O-NH2 3.25Å
13	T	97	Very high	97.5	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.018	38%	0.379	C	S	.	.			trans	-119.5	2.1	-177.3	60.2	0	0	0	0	113.3	T167 L168 A186 T187 Y192	T13-T167 PolarHBondContact N-O 3.26Å; T13-T167 VanDerWaalsContact OG1-C 3.23Å; T13-T167 WeakPolarHBondContact OG1-CB 3.5Å; T13-T167 PolarHBondContact OG1-O 3.03Å; T13-T167 PolarHBondContact OG1-OG1 2.71Å; T13-L168 VanDerWaalsContact OG1-CD2 3.25Å; T13-L168 WeakPolarHBondContact OG1-CD2 3.43Å; T13-A186 WeakPolarHBondContact O-CA 3.47Å; T13-T187 PolarHBondContact O-N 3.02Å; T13-T187 VanDerWaalsContact O-N 3.08Å; T13-T187 PolarHBondContact O-OG1 3.38Å; T13-Y192 HydrophobicContact CG2-CD1 3.74Å; T13-Y192 HydrophobicContact CG2-CE1 3.08Å
14	S	96.7	Very high	97.6	Very high	2 Å²	2	61 Å²	61	1%	0.014	37%	0.368	C	S	.	.	S	Bend	trans	-129.6	155.5	170.3	70.3	0	0	0	0	109.9	I16 M17 E18 L168 T185	S14-I16 VanDerWaalsContact C-N 3.25Å; S14-I16 PolarHBondContact O-N 3.04Å; S14-M17 PolarHBondContact O-N 3.19Å; S14-M17 WeakPolarHBondContact OG-CB 3.25Å; S14-M17 PolarHBondContact OG-N 3.46Å; S14-M17 VanDerWaalsContact OG-N 3.17Å; S14-E18 PolarHBondContact O-N 2.88Å; S14-L168 PolarHBondContact OG-O 3.23Å; S14-T185 WeakPolarHBondContact CA-O 3.41Å; S14-T185 VanDerWaalsContact CB-O 3.3Å; S14-T185 WeakPolarHBondContact CB-O 3.43Å
15	P	96.1	Very high	97.6	Very high	63 Å²	63	60.9 Å²	60.9	41%	0.409	35%	0.354	S	S	.	.	H	α-helix	trans	-60.2	-35.4	176.6	-23.6	35.1	0	0	0	112.8	M17 E18 E19 T185 T187	P15-M17 PolarHBondContact O-N 3.34Å; P15-E18 WeakPolarHBondContact O-CB 3.33Å; P15-E18 PolarHBondContact O-N 3.31Å; P15-E19 PolarHBondContact O-N 3.41Å; P15-E19 VanDerWaalsContact O-N 3.1Å; P15-T185 WeakPolarHBondContact CD-O 3.34Å; P15-T187 HydrophobicContact CG-CG2 3.97Å
16	I	96.1	Very high	97.7	Very high	38 Å²	38	59 Å²	59	20%	0.195	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-40.6	177.4	-62.3	-61.1	0	0	0	111.1	S14 E18 E19 L20 M86 T87	S14-I16 VanDerWaalsContact C-N 3.25Å; S14-I16 PolarHBondContact O-N 3.04Å; I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 3.23Å; I16-E19 PolarHBondContact O-N 3.16Å; I16-L20 HydrophobicContact CG2-CD1 4.11Å; I16-L20 HydrophobicContact CG2-CG 4.39Å; I16-L20 VanDerWaalsContact O-CG 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.38Å; I16-M86 HydrophobicContact CD1-CB 4.26Å; I16-T87 HydrophobicContact CG2-CG2 4.42Å
17	M	97.9	Very high	97.7	Very high	13 Å²	13	57.5 Å²	57.5	6%	0.064	32%	0.323	C	S	.	.	H	α-helix	trans	-68.3	-29.4	177.5	-170.8	60.4	-167.9	0	0	112.4	L9 A12 S14 P15 L20 T21 T167 G169	L9-M17 HydrophobicContact CB-CE 4.01Å; L9-M17 HydrophobicContact CD1-CE 3.9Å; L9-M17 HydrophobicContact CD2-CE 4.45Å; L9-M17 HydrophobicContact CG-CE 4.34Å; A12-M17 HydrophobicContact CB-CB 3.73Å; A12-M17 HydrophobicContact CB-CG 3.59Å; S14-M17 PolarHBondContact O-N 3.19Å; S14-M17 WeakPolarHBondContact OG-CB 3.25Å; S14-M17 PolarHBondContact OG-N 3.46Å; S14-M17 VanDerWaalsContact OG-N 3.17Å; P15-M17 PolarHBondContact O-N 3.34Å; M17-L20 PolarHBondContact O-N 3.48Å; M17-L20 HydrophobicContact SD-CB 4.26Å; M17-L20 HydrophobicContact SD-CD1 4.14Å; M17-T21 WeakPolarHBondContact O-CB 3.32Å; M17-T21 PolarHBondContact O-N 3.08Å; M17-T21 PolarHBondContact O-OG1 3.46Å; M17-T167 WeakPolarHBondContact CB-O 3.43Å; M17-T167 WeakPolarHBondContact CG-O 3.41Å; M17-G169 VanDerWaalsContact SD-CA 3.53Å
18	E	97.9	Very high	97.8	Very high	95 Å²	95	53.2 Å²	53.2	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-48	171.7	-68.5	176.4	-168.3	0	0	110.7	A12 S14 P15 I16 L20 T21 T22	A12-E18 HydrophobicContact CB-CB 4.3Å; A12-E18 HydrophobicContact CB-CG 3.52Å; S14-E18 PolarHBondContact O-N 2.88Å; P15-E18 WeakPolarHBondContact O-CB 3.33Å; P15-E18 PolarHBondContact O-N 3.31Å; I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 3.23Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 2.85Å; E18-T21 WeakPolarHBondContact O-CB 3.45Å; E18-T21 PolarHBondContact O-N 3.32Å; E18-T21 VanDerWaalsContact O-N 3.12Å; E18-T22 PolarHBondContact O-N 3.09Å
19	E	97.9	Very high	97.9	Very high	63 Å²	63	56.2 Å²	56.2	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-37.7	174.6	-68.1	-67.7	147.3	0	0	112.5	P15 I16 T21 T22 F23 I83 M86	P15-E19 PolarHBondContact O-N 3.41Å; P15-E19 VanDerWaalsContact O-N 3.1Å; I16-E19 PolarHBondContact O-N 3.16Å; E19-T21 VanDerWaalsContact C-N 3.32Å; E19-T21 PolarHBondContact O-N 3.22Å; E19-T22 PolarHBondContact O-N 3.45Å; E19-T22 PolarHBondContact O-OG1 3.4Å; E19-F23 WeakPolarHBondContact O-CB 3.49Å; E19-F23 PolarHBondContact O-N 3.49Å; E19-I83 HydrophobicContact CB-CD1 4.1Å; E19-I83 HydrophobicContact CB-CG1 4.14Å; E19-I83 WeakPolarHBondContact O-CD1 3.47Å; E19-M86 HydrophobicContact CG-CE 4.37Å
20	L	98.2	Very high	97.9	Very high	56 Å²	56	53.3 Å²	53.3	29%	0.293	28%	0.281	S	S	.	.	H	α-helix	trans	-65.6	-36.2	174.4	-72.8	171.5	0	0	0	112	I16 M17 E18 H24 I83	I16-L20 HydrophobicContact CG2-CD1 4.11Å; I16-L20 HydrophobicContact CG2-CG 4.39Å; I16-L20 VanDerWaalsContact O-CG 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.38Å; M17-L20 PolarHBondContact O-N 3.48Å; M17-L20 HydrophobicContact SD-CB 4.26Å; M17-L20 HydrophobicContact SD-CD1 4.14Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 2.85Å; L20-H24 VanDerWaalsContact O-CB 3.25Å; L20-H24 WeakPolarHBondContact O-CB 3.46Å; L20-H24 PolarHBondContact O-N 3.29Å; L20-I83 HydrophobicContact CD2-CG2 3.9Å; L20-I83 HydrophobicContact CG-CG2 4.32Å
21	T	98.5	Very high	97.9	Very high	41 Å²	41	55.8 Å²	55.8	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-68.2	-43.8	177.3	-55.6	0	0	0	0	110.8	M17 E18 E19 H24 D25	M17-T21 WeakPolarHBondContact O-CB 3.32Å; M17-T21 PolarHBondContact O-N 3.08Å; M17-T21 PolarHBondContact O-OG1 3.46Å; E18-T21 WeakPolarHBondContact O-CB 3.45Å; E18-T21 PolarHBondContact O-N 3.32Å; E18-T21 VanDerWaalsContact O-N 3.12Å; E19-T21 VanDerWaalsContact C-N 3.32Å; E19-T21 PolarHBondContact O-N 3.22Å; T21-H24 WeakPolarHBondContact O-CB 3.46Å; T21-H24 PolarHBondContact O-N 3.39Å; T21-D25 PolarHBondContact O-N 3.48Å
22	T	98.3	Very high	97.9	Very high	84 Å²	84	55.8 Å²	55.8	52%	0.515	29%	0.288	S	S	.	.	H	α-helix	trans	-66.3	-38.9	176.7	61.4	0	0	0	0	112.1	E18 E19 D25 H26	E18-T22 PolarHBondContact O-N 3.09Å; E19-T22 PolarHBondContact O-N 3.45Å; E19-T22 PolarHBondContact O-OG1 3.4Å; T22-D25 PolarHBondContact O-N 3.26Å; T22-H26 PolarHBondContact O-N 3.49Å; T22-H26 VanDerWaalsContact O-N 3.08Å
23	F	98.6	Very high	98	Very high	41 Å²	41	60.7 Å²	60.7	18%	0.18	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-41.3	174.1	172.6	-111.8	0	0	0	112.5	E19 D25 H26 A27 I76 P79 I83	E19-F23 WeakPolarHBondContact O-CB 3.49Å; E19-F23 PolarHBondContact O-N 3.49Å; F23-D25 VanDerWaalsContact C-N 3.32Å; F23-D25 PolarHBondContact O-N 3.22Å; F23-H26 PolarHBondContact O-N 3.47Å; F23-A27 WeakPolarHBondContact O-CB 3.25Å; F23-A27 PolarHBondContact O-N 3.31Å; F23-I76 HydrophobicContact CE2-CG2 4.12Å; F23-I76 WeakPolarHBondContact CE2-O 3.32Å; F23-I76 HydrophobicContact CZ-CG2 4.04Å; F23-P79 HydrophobicContact CD2-CB 4.05Å; F23-P79 HydrophobicContact CD2-CG 4.03Å; F23-P79 HydrophobicContact CE2-CB 4.48Å; F23-P79 HydrophobicContact CE2-CG 4.07Å; F23-I83 HydrophobicContact CB-CD1 3.45Å; F23-I83 VanDerWaalsContact CB-CD1 3.45Å; F23-I83 HydrophobicContact CG-CD1 3.97Å
24	H	98.6	Very high	98	Very high	74 Å²	74	64 Å²	64	34%	0.343	33%	0.329	S	S	.	.	H	α-helix	trans	-56	-47.7	173.7	168.4	-85.7	0	0	0	111	L9 L20 T21 H26 A27 L28	L9-H24 HydrophobicContact CD1-CB 4.13Å; L20-H24 VanDerWaalsContact O-CB 3.25Å; L20-H24 WeakPolarHBondContact O-CB 3.46Å; L20-H24 PolarHBondContact O-N 3.29Å; T21-H24 WeakPolarHBondContact O-CB 3.46Å; T21-H24 PolarHBondContact O-N 3.39Å; H24-H26 PolarHBondContact O-N 3.02Å; H24-A27 PolarHBondContact O-N 3.12Å; H24-L28 VanDerWaalsContact O-CB 3.23Å; H24-L28 WeakPolarHBondContact O-CB 3.38Å; H24-L28 PolarHBondContact O-N 3.48Å
25	D	98.4	Very high	98.1	Very high	92 Å²	92	67.4 Å²	67.4	49%	0.492	35%	0.352	S	S	.	.	H	α-helix	trans	-65.2	-39.4	-179.4	-70.2	-8.3	0	0	0	112.3	T21 T22 F23 L28 M29	T21-D25 PolarHBondContact O-N 3.48Å; T22-D25 PolarHBondContact O-N 3.26Å; F23-D25 VanDerWaalsContact C-N 3.32Å; F23-D25 PolarHBondContact O-N 3.22Å; D25-L28 PolarHBondContact O-N 3.07Å; D25-M29 WeakPolarHBondContact O-CB 3.45Å; D25-M29 PolarHBondContact O-N 3.1Å
26	H	98.5	Very high	98.2	Very high	63 Å²	63	71.1 Å²	71.1	29%	0.292	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-47.5	173.1	175.3	68.6	0	0	0	112.1	T22 F23 H24 I30 L75	T22-H26 PolarHBondContact O-N 3.49Å; T22-H26 VanDerWaalsContact O-N 3.08Å; F23-H26 PolarHBondContact O-N 3.47Å; H24-H26 PolarHBondContact O-N 3.02Å; H26-I30 WeakPolarHBondContact O-CG1 3.49Å; H26-I30 PolarHBondContact O-N 3.49Å; H26-L75 PolarHBondContact NE2-O 3.21Å
27	A	98.4	Very high	98.3	Very high	17 Å²	17	74.1 Å²	74.1	14%	0.14	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-42.1	177.4	0	0	0	0	0	111.7	F23 H24 M29 I30 I31	F23-A27 WeakPolarHBondContact O-CB 3.25Å; F23-A27 PolarHBondContact O-N 3.31Å; H24-A27 PolarHBondContact O-N 3.12Å; A27-M29 PolarHBondContact O-N 3.05Å; A27-I30 PolarHBondContact O-N 3.17Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.08Å
28	L	98.3	Very high	98.3	Very high	57 Å²	57	77.1 Å²	77.1	30%	0.298	40%	0.397	S	S	.	.	H	α-helix	trans	-65	-38.9	-179.9	-175.7	62.2	0	0	0	111.9	H24 D25 I30 I31 F32	H24-L28 VanDerWaalsContact O-CB 3.23Å; H24-L28 WeakPolarHBondContact O-CB 3.38Å; H24-L28 PolarHBondContact O-N 3.48Å; D25-L28 PolarHBondContact O-N 3.07Å; L28-I30 VanDerWaalsContact C-N 3.31Å; L28-I30 PolarHBondContact O-N 3.39Å; L28-I31 PolarHBondContact O-N 2.91Å; L28-F32 HydrophobicContact CD1-CD2 4.04Å; L28-F32 HydrophobicContact CD1-CE2 3.67Å; L28-F32 HydrophobicContact CD1-CZ 4Å; L28-F32 HydrophobicContact CD2-CD2 4.48Å; L28-F32 HydrophobicContact CD2-CE2 3.79Å; L28-F32 HydrophobicContact CG-CD2 3.78Å; L28-F32 HydrophobicContact CG-CE2 3.5Å; L28-F32 HydrophobicContact CG-CZ 4.31Å; L28-F32 WeakPolarHBondContact O-CD2 3.49Å; L28-F32 PolarHBondContact O-N 3.22Å
29	M	98.4	Very high	98.3	Very high	117 Å²	117	78.3 Å²	78.3	58%	0.576	41%	0.406	S	S	*	.	H	α-helix	trans	-56.4	-46.2	172.4	177.9	-169.2	64.7	0	0	111.3	D25 A27 F32 L33	D25-M29 WeakPolarHBondContact O-CB 3.45Å; D25-M29 PolarHBondContact O-N 3.1Å; A27-M29 PolarHBondContact O-N 3.05Å; M29-F32 PolarHBondContact O-N 3Å; M29-L33 WeakPolarHBondContact O-CB 3.26Å; M29-L33 PolarHBondContact O-N 2.86Å
30	I	98.3	Very high	98.3	Very high	16 Å²	16	81 Å²	81	8%	0.082	41%	0.414	C	S	.	.	H	α-helix	trans	-65.3	-43.9	178.7	-66.4	168.9	0	0	0	110.8	H26 A27 L28 F32 L33 I34 I72 I76	H26-I30 WeakPolarHBondContact O-CG1 3.49Å; H26-I30 PolarHBondContact O-N 3.49Å; A27-I30 PolarHBondContact O-N 3.17Å; L28-I30 VanDerWaalsContact C-N 3.31Å; L28-I30 PolarHBondContact O-N 3.39Å; I30-F32 PolarHBondContact O-N 3.25Å; I30-L33 WeakPolarHBondContact O-CB 3.36Å; I30-L33 PolarHBondContact O-N 3.29Å; I30-I34 HydrophobicContact CG2-CD1 3.92Å; I30-I34 WeakPolarHBondContact O-CG1 3.38Å; I30-I34 PolarHBondContact O-N 3.07Å; I30-I72 HydrophobicContact CG2-CG2 3.45Å; I30-I72 VanDerWaalsContact CG2-CG2 3.45Å; I30-I76 HydrophobicContact CD1-CD1 4.19Å; I30-I76 HydrophobicContact CD1-CG1 3.62Å; I30-I76 HydrophobicContact CG2-CD1 4.14Å
31	I	98.2	Very high	98.2	Very high	88 Å²	88	80.6 Å²	80.6	45%	0.451	42%	0.418	S	S	.	.	H	α-helix	trans	-60	-47.7	177.4	-68.6	166.2	0	0	0	110.3	A27 L28 L33 I34 C35	A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.08Å; L28-I31 PolarHBondContact O-N 2.91Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 3.1Å; I31-I34 PolarHBondContact O-N 3.46Å; I31-C35 WeakPolarHBondContact O-CB 3.34Å; I31-C35 PolarHBondContact O-N 3.43Å; I31-C35 PolarHBondContact O-SG 3.03Å; I31-C35 VanDerWaalsContact O-SG 3.33Å
32	F	98.4	Very high	98.2	Very high	134 Å²	134	83 Å²	83	59%	0.588	43%	0.429	S	S	*	.	H	α-helix	trans	-61.1	-40.4	177.3	-80.3	-46.7	0	0	0	112.6	L28 M29 I30 I34 C35 F36	L28-F32 HydrophobicContact CD1-CD2 4.04Å; L28-F32 HydrophobicContact CD1-CE2 3.67Å; L28-F32 HydrophobicContact CD1-CZ 4Å; L28-F32 HydrophobicContact CD2-CD2 4.48Å; L28-F32 HydrophobicContact CD2-CE2 3.79Å; L28-F32 HydrophobicContact CG-CD2 3.78Å; L28-F32 HydrophobicContact CG-CE2 3.5Å; L28-F32 HydrophobicContact CG-CZ 4.31Å; L28-F32 WeakPolarHBondContact O-CD2 3.49Å; L28-F32 PolarHBondContact O-N 3.22Å; M29-F32 PolarHBondContact O-N 3Å; I30-F32 PolarHBondContact O-N 3.25Å; F32-I34 PolarHBondContact O-N 3.02Å; F32-C35 PolarHBondContact O-N 3.12Å; F32-F36 VanDerWaalsContact O-CB 3.24Å; F32-F36 WeakPolarHBondContact O-CB 3.06Å; F32-F36 PolarHBondContact O-N 3.08Å
33	L	98.2	Very high	98.2	Very high	118 Å²	118	85 Å²	85	62%	0.618	43%	0.431	S	S	*	.	H	α-helix	trans	-59.4	-46.5	175.6	-179.9	68	0	0	0	111.5	M29 I30 I31 L37	M29-L33 WeakPolarHBondContact O-CB 3.26Å; M29-L33 PolarHBondContact O-N 2.86Å; I30-L33 WeakPolarHBondContact O-CB 3.36Å; I30-L33 PolarHBondContact O-N 3.29Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 3.1Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 2.91Å
34	I	98.2	Very high	98.1	Very high	72 Å²	72	86.7 Å²	86.7	37%	0.369	44%	0.442	S	S	.	.	H	α-helix	trans	-65.7	-48	178.8	-65.6	168.5	0	0	0	110.6	I30 I31 F32 F36 L37 V38 I72	I30-I34 HydrophobicContact CG2-CD1 3.92Å; I30-I34 WeakPolarHBondContact O-CG1 3.38Å; I30-I34 PolarHBondContact O-N 3.07Å; I31-I34 PolarHBondContact O-N 3.46Å; F32-I34 PolarHBondContact O-N 3.02Å; I34-F36 VanDerWaalsContact C-N 3.31Å; I34-F36 PolarHBondContact O-N 3.49Å; I34-L37 PolarHBondContact O-N 2.95Å; I34-V38 HydrophobicContact CG2-CG2 4.36Å; I34-V38 WeakPolarHBondContact O-CG2 3.43Å; I34-V38 PolarHBondContact O-N 3.4Å; I34-I72 HydrophobicContact CD1-CD1 4.42Å; I34-I72 HydrophobicContact CD1-CG2 4.39Å
35	C	98.4	Very high	97.9	Very high	74 Å²	74	87.8 Å²	87.8	50%	0.5	45%	0.453	S	S	.	.	H	α-helix	trans	-59.2	-43.4	178.6	-72.1	0	0	0	0	111.6	I31 F32 L39	I31-C35 WeakPolarHBondContact O-CB 3.34Å; I31-C35 PolarHBondContact O-N 3.43Å; I31-C35 PolarHBondContact O-SG 3.03Å; I31-C35 VanDerWaalsContact O-SG 3.33Å; F32-C35 PolarHBondContact O-N 3.12Å; C35-L39 VanDerWaalsContact O-CB 3.26Å; C35-L39 WeakPolarHBondContact O-CB 2.93Å; C35-L39 PolarHBondContact O-N 3.41Å
36	F	98.4	Very high	97.8	Very high	140 Å²	140	90.1 Å²	90.1	61%	0.614	47%	0.465	S	S	*	.	H	α-helix	trans	-63.9	-45	176.2	-179	-96.8	0	0	0	111.8	F32 I34 V38 L39 Y40	F32-F36 VanDerWaalsContact O-CB 3.24Å; F32-F36 WeakPolarHBondContact O-CB 3.06Å; F32-F36 PolarHBondContact O-N 3.08Å; I34-F36 VanDerWaalsContact C-N 3.31Å; I34-F36 PolarHBondContact O-N 3.49Å; F36-V38 PolarHBondContact O-N 2.94Å; F36-L39 PolarHBondContact O-N 3.32Å; F36-Y40 WeakPolarHBondContact O-CB 3.5Å; F36-Y40 PolarHBondContact O-N 3.05Å
37	L	97.5	Very high	97.7	Very high	101 Å²	101	90.9 Å²	90.9	53%	0.529	47%	0.474	S	S	.	.	H	α-helix	trans	-58.3	-48.6	177.1	175	64.8	0	0	0	111.8	L33 I34 Y40 A41	L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 2.91Å; I34-L37 PolarHBondContact O-N 2.95Å; L37-Y40 PolarHBondContact O-N 2.92Å; L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 3.47Å
38	V	98.3	Very high	97.6	Very high	77 Å²	77	93.6 Å²	93.6	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-46.5	-179.9	172.6	0	0	0	0	110.7	I34 F36 Y40 A41 L42	I34-V38 HydrophobicContact CG2-CG2 4.36Å; I34-V38 WeakPolarHBondContact O-CG2 3.43Å; I34-V38 PolarHBondContact O-N 3.4Å; F36-V38 PolarHBondContact O-N 2.94Å; V38-Y40 VanDerWaalsContact C-N 3.31Å; V38-Y40 PolarHBondContact O-N 2.88Å; V38-A41 PolarHBondContact O-N 3.27Å; V38-L42 HydrophobicContact CG1-CD1 4.02Å; V38-L42 WeakPolarHBondContact O-CB 3.46Å; V38-L42 WeakPolarHBondContact O-CG 3.33Å; V38-L42 PolarHBondContact O-N 3.29Å
39	L	98.3	Very high	97.5	Very high	120 Å²	120	100.5 Å²	100.5	63%	0.628	52%	0.517	S	S	*	.	H	α-helix	trans	-61.8	-41.5	178.3	-177	63.2	0	0	0	111.5	C35 F36 L42 F43	C35-L39 VanDerWaalsContact O-CB 3.26Å; C35-L39 WeakPolarHBondContact O-CB 2.93Å; C35-L39 PolarHBondContact O-N 3.41Å; F36-L39 PolarHBondContact O-N 3.32Å; L39-L42 PolarHBondContact O-N 3.35Å; L39-F43 WeakPolarHBondContact O-CB 3.47Å; L39-F43 PolarHBondContact O-N 3.22Å
40	Y	98	Very high	97.4	Very high	120 Å²	120	102.2 Å²	102.2	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-65.1	-44.6	177	179	-107.7	0	0	0	112	F36 L37 V38 L42 F43 L44	F36-Y40 WeakPolarHBondContact O-CB 3.5Å; F36-Y40 PolarHBondContact O-N 3.05Å; L37-Y40 PolarHBondContact O-N 2.92Å; V38-Y40 VanDerWaalsContact C-N 3.31Å; V38-Y40 PolarHBondContact O-N 2.88Å; Y40-L42 PolarHBondContact O-N 3.28Å; Y40-F43 WeakPolarHBondContact O-CB 3.37Å; Y40-F43 PolarHBondContact O-N 3.43Å; Y40-L44 HydrophobicContact CD1-CD1 3.92Å; Y40-L44 HydrophobicContact CD1-CG 4.41Å; Y40-L44 HydrophobicContact CE1-CD1 3.34Å; Y40-L44 HydrophobicContact CE1-CG 4.02Å; Y40-L44 HydrophobicContact CE2-CD1 4.36Å; Y40-L44 HydrophobicContact CE2-CD2 4.24Å; Y40-L44 HydrophobicContact CE2-CG 4.18Å; Y40-L44 WeakPolarHBondContact O-CG 3.18Å; Y40-L44 PolarHBondContact O-N 3.41Å
41	A	96.8	Very high	97.2	Very high	46 Å²	46	107.6 Å²	107.6	38%	0.38	56%	0.561	S	S	.	*	H	α-helix	trans	-62.5	-41.6	176.5	0	0	0	0	0	112.2	L37 V38 L44 T45	L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 3.47Å; V38-A41 PolarHBondContact O-N 3.27Å; A41-L44 PolarHBondContact O-N 3Å; A41-T45 WeakPolarHBondContact O-CG2 3.4Å; A41-T45 PolarHBondContact O-N 3.41Å; A41-T45 PolarHBondContact O-OG1 3.49Å
42	L	97.3	Very high	96.8	Very high	92 Å²	92	109.1 Å²	109.1	48%	0.482	57%	0.571	S	S	.	*	H	α-helix	trans	-61.9	-45.1	172.9	-74.7	170.2	0	0	0	111.3	V38 L39 Y40 L44 T45 L46	V38-L42 HydrophobicContact CG1-CD1 4.02Å; V38-L42 WeakPolarHBondContact O-CB 3.46Å; V38-L42 WeakPolarHBondContact O-CG 3.33Å; V38-L42 PolarHBondContact O-N 3.29Å; L39-L42 PolarHBondContact O-N 3.35Å; Y40-L42 PolarHBondContact O-N 3.28Å; L42-L44 PolarHBondContact O-N 3.01Å; L42-T45 WeakPolarHBondContact CA-OG1 3.47Å; L42-T45 PolarHBondContact O-N 2.87Å; L42-T45 PolarHBondContact O-OG1 3.46Å; L42-L46 WeakPolarHBondContact O-CB 3.48Å; L42-L46 WeakPolarHBondContact O-CG 3.36Å; L42-L46 PolarHBondContact O-N 3.49Å
43	F	97.8	Very high	96.5	Very high	125 Å²	125	109.1 Å²	109.1	55%	0.548	58%	0.582	S	S	.	*	H	α-helix	trans	-60.2	-44.9	177.4	178.8	-98.2	0	0	0	112	L39 Y40 L46 T47	L39-F43 WeakPolarHBondContact O-CB 3.47Å; L39-F43 PolarHBondContact O-N 3.22Å; Y40-F43 WeakPolarHBondContact O-CB 3.37Å; Y40-F43 PolarHBondContact O-N 3.43Å; F43-L46 PolarHBondContact O-N 3.23Å; F43-T47 HydrophobicContact CD1-CG2 4.48Å; F43-T47 HydrophobicContact CD2-CG2 3.99Å; F43-T47 HydrophobicContact CE1-CG2 4.21Å; F43-T47 HydrophobicContact CE2-CG2 3.69Å; F43-T47 HydrophobicContact CG-CG2 4.39Å; F43-T47 HydrophobicContact CZ-CG2 3.81Å; F43-T47 WeakPolarHBondContact O-CB 3.4Å; F43-T47 WeakPolarHBondContact O-CG2 3.24Å; F43-T47 PolarHBondContact O-N 2.95Å; F43-T47 VanDerWaalsContact O-N 3.11Å; F43-T47 PolarHBondContact O-OG1 3.48Å
44	L	97.1	Very high	96.3	Very high	78 Å²	78	109.5 Å²	109.5	41%	0.408	58%	0.584	S	S	.	*	H	α-helix	trans	-62.1	-46.4	177.9	-73.2	179.8	0	0	0	112.6	Y40 A41 L42 L46 T47 T48	Y40-L44 HydrophobicContact CD1-CD1 3.92Å; Y40-L44 HydrophobicContact CD1-CG 4.41Å; Y40-L44 HydrophobicContact CE1-CD1 3.34Å; Y40-L44 HydrophobicContact CE1-CG 4.02Å; Y40-L44 HydrophobicContact CE2-CD1 4.36Å; Y40-L44 HydrophobicContact CE2-CD2 4.24Å; Y40-L44 HydrophobicContact CE2-CG 4.18Å; Y40-L44 WeakPolarHBondContact O-CG 3.18Å; Y40-L44 PolarHBondContact O-N 3.41Å; A41-L44 PolarHBondContact O-N 3Å; L42-L44 PolarHBondContact O-N 3.01Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 2.94Å; L44-T47 PolarHBondContact O-N 3.25Å; L44-T47 PolarHBondContact O-OG1 3.4Å; L44-T48 PolarHBondContact O-N 2.85Å
45	T	93.9	Very high	95.8	Very high	96 Å²	96	114.5 Å²	114.5	59%	0.589	61%	0.61	S	S	*	*	H	α-helix	trans	-68	-32.4	-177.9	51.8	0	0	0	0	112.5	A41 L42	A41-T45 WeakPolarHBondContact O-CG2 3.4Å; A41-T45 PolarHBondContact O-N 3.41Å; A41-T45 PolarHBondContact O-OG1 3.49Å; L42-T45 WeakPolarHBondContact CA-OG1 3.47Å; L42-T45 PolarHBondContact O-N 2.87Å; L42-T45 PolarHBondContact O-OG1 3.46Å
46	L	96.3	Very high	95.4	Very high	141 Å²	141	115.3 Å²	115.3	74%	0.738	62%	0.616	S	S	*	*	H	α-helix	trans	-82.3	-22.5	179.2	-66.6	173.8	0	0	0	114.1	L42 F43 L44	L42-L46 WeakPolarHBondContact O-CB 3.48Å; L42-L46 WeakPolarHBondContact O-CG 3.36Å; L42-L46 PolarHBondContact O-N 3.49Å; F43-L46 PolarHBondContact O-N 3.23Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 2.94Å
47	T	97.2	Very high	95.1	Very high	79 Å²	79	115.3 Å²	115.3	49%	0.485	62%	0.623	S	S	.	*	H	α-helix	trans	-96.9	-15.5	-174.5	53.1	0	0	0	0	114.2	F43 L44	F43-T47 HydrophobicContact CD1-CG2 4.48Å; F43-T47 HydrophobicContact CD2-CG2 3.99Å; F43-T47 HydrophobicContact CE1-CG2 4.21Å; F43-T47 HydrophobicContact CE2-CG2 3.69Å; F43-T47 HydrophobicContact CG-CG2 4.39Å; F43-T47 HydrophobicContact CZ-CG2 3.81Å; F43-T47 WeakPolarHBondContact O-CB 3.4Å; F43-T47 WeakPolarHBondContact O-CG2 3.24Å; F43-T47 PolarHBondContact O-N 2.95Å; F43-T47 VanDerWaalsContact O-N 3.11Å; F43-T47 PolarHBondContact O-OG1 3.48Å; L44-T47 PolarHBondContact O-N 3.25Å; L44-T47 PolarHBondContact O-OG1 3.4Å
48	T	96.3	Very high	95	Very high	75 Å²	75	112.2 Å²	112.2	46%	0.46	61%	0.612	S	S	.	*			trans	-72.6	138.9	177.9	-174.9	0	0	0	0	111.8	L44 L50	L44-T48 PolarHBondContact O-N 2.85Å; T48-L50 PolarHBondContact OG1-N 3.43Å; T48-L50 VanDerWaalsContact OG1-N 3.17Å
49	K	95.5	Very high	94.9	Very high	202 Å²	202	113.7 Å²	113.7	88%	0.878	61%	0.614	S	S	*	*			trans	-89.6	-13.6	169.6	-65.3	-175.3	179.9	-179.6	0	112.6
50	L	96.1	Very high	94.7	Very high	152 Å²	152	115 Å²	115	80%	0.796	62%	0.616	S	S	*	*			trans	-73.6	136.2	-179.5	-60.1	175.3	0	0	0	109.2	T48	T48-L50 PolarHBondContact OG1-N 3.43Å; T48-L50 VanDerWaalsContact OG1-N 3.17Å
51	T	94.2	Very high	94.5	Very high	129 Å²	129	115.2 Å²	115.2	79%	0.791	62%	0.624	S	S	*	*			trans	-116	139.1	-179.5	55.6	0	0	0	0	110.9
52	N	91.3	Very high	94.6	Very high	121 Å²	121	117 Å²	117	65%	0.647	62%	0.624	S	S	*	*			trans	-139.3	112.3	164.7	-177.5	11.4	0	0	0	107.8	N54	N52-N54 PolarHBondContact OD1-N 2.9Å
53	T	92.4	Very high	94.6	Very high	133 Å²	133	115.4 Å²	115.4	82%	0.816	62%	0.618	S	S	*	*			trans	-109.2	4	-178	56.1	0	0	0	0	112.6
54	N	94.1	Very high	94.5	Very high	126 Å²	126	113.9 Å²	113.9	67%	0.674	62%	0.619	S	S	*	*	S	Bend	trans	-73.2	147.2	176.5	-65.6	-33.6	0	0	0	109.7	N52 S56	N52-N54 PolarHBondContact OD1-N 2.9Å; N54-S56 PolarHBondContact O-N 3.41Å
55	I	86.9	Confident	94.5	Very high	177 Å²	177	116.3 Å²	116.3	91%	0.908	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-68.4	116.8	172.6	-62.3	169.8	0	0	0	107.6
56	S	89.1	Confident	94.7	Very high	91 Å²	91	116 Å²	116	64%	0.636	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-94.4	144	169.7	53.5	0	0	0	0	110	N54	N54-S56 PolarHBondContact O-N 3.41Å
57	D	93.7	Very high	94.8	Very high	140 Å²	140	113.9 Å²	113.9	75%	0.749	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-61.3	138.9	167.5	-176.9	48.1	0	0	0	110.5
58	A	94.3	Very high	94.8	Very high	36 Å²	36	114.4 Å²	114.4	30%	0.298	61%	0.609	S	S	.	*			trans	-113.3	-9.2	-170.5	0	0	0	0	0	113.8	E60 M61 E62	A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 2.97Å; A58-M61 PolarHBondContact O-N 3.03Å; A58-E62 HydrophobicContact CB-CG 4.5Å; A58-E62 WeakPolarHBondContact O-CB 3.41Å; A58-E62 PolarHBondContact O-N 3.33Å
59	Q	95.8	Very high	94.9	Very high	108 Å²	108	113.8 Å²	113.8	51%	0.505	61%	0.606	S	S	.	*	H	α-helix	trans	-56.6	-43.1	-169.5	-174.9	62.2	39.9	0	0	113.4	E62 T63	Q59-E62 PolarHBondContact O-N 3.42Å; Q59-T63 WeakPolarHBondContact O-CB 3.35Å; Q59-T63 PolarHBondContact O-N 3.22Å; Q59-T63 PolarHBondContact O-OG1 3.47Å
60	E	94.6	Very high	95.1	Very high	147 Å²	147	106.6 Å²	106.6	69%	0.687	58%	0.584	S	S	*	*	H	α-helix	trans	-65.9	-40.8	178.7	-63.7	-59.6	148.6	0	0	111.7	A58 T63 V64	A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 2.97Å; E60-T63 PolarHBondContact O-N 3.48Å; E60-V64 WeakPolarHBondContact O-CG2 3.5Å; E60-V64 PolarHBondContact O-N 2.7Å
61	M	94.6	Very high	95.2	Very high	126 Å²	126	103.5 Å²	103.5	62%	0.621	57%	0.567	S	S	*	*	H	α-helix	trans	-69.9	-39.8	178.7	-166.8	179	178.9	0	0	111.5	A58 T63 V64 W65	A58-M61 PolarHBondContact O-N 3.03Å; M61-T63 VanDerWaalsContact C-N 3.33Å; M61-T63 PolarHBondContact O-N 2.91Å; M61-V64 PolarHBondContact O-N 3.35Å; M61-W65 HydrophobicContact CB-CE3 4.46Å; M61-W65 HydrophobicContact CB-CZ3 4.23Å; M61-W65 HydrophobicContact CE-CE3 3.85Å; M61-W65 HydrophobicContact CE-CZ3 3.61Å; M61-W65 HydrophobicContact CG-CE3 3.58Å; M61-W65 HydrophobicContact CG-CH2 4.4Å; M61-W65 HydrophobicContact CG-CZ3 3.48Å; M61-W65 VanDerWaalsContact CG-CZ3 3.48Å; M61-W65 PolarHBondContact O-N 3.45Å; M61-W65 HydrophobicContact SD-CE3 4.1Å; M61-W65 HydrophobicContact SD-CH2 4.43Å; M61-W65 HydrophobicContact SD-CZ3 3.51Å; M61-W65 VanDerWaalsContact SD-CZ3 3.51Å
62	E	97.4	Very high	95.4	Very high	84 Å²	84	99 Å²	99	39%	0.393	54%	0.538	S	S	.	.	H	α-helix	trans	-58.9	-45.4	174.7	-83.2	178.4	-165.1	0	0	112	A58 Q59 V64 W65 T66	A58-E62 HydrophobicContact CB-CG 4.5Å; A58-E62 WeakPolarHBondContact O-CB 3.41Å; A58-E62 PolarHBondContact O-N 3.33Å; Q59-E62 PolarHBondContact O-N 3.42Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 3.4Å; E62-W65 HydrophobicContact CB-CZ2 4.17Å; E62-W65 HydrophobicContact CG-CH2 3.96Å; E62-W65 HydrophobicContact CG-CZ2 3.2Å; E62-W65 PolarHBondContact O-N 3.46Å; E62-T66 WeakPolarHBondContact O-CB 3.22Å; E62-T66 PolarHBondContact O-N 3.17Å; E62-T66 VanDerWaalsContact O-N 3.07Å; E62-T66 PolarHBondContact O-OG1 3.21Å; E62-T66 VanDerWaalsContact O-OG1 3.07Å
63	T	97.6	Very high	95.7	Very high	58 Å²	58	98.9 Å²	98.9	36%	0.356	54%	0.537	S	S	.	.	H	α-helix	trans	-60.1	-43.1	178.1	-56.6	0	0	0	0	111.1	Q59 E60 M61 T66 I67	Q59-T63 WeakPolarHBondContact O-CB 3.35Å; Q59-T63 PolarHBondContact O-N 3.22Å; Q59-T63 PolarHBondContact O-OG1 3.47Å; E60-T63 PolarHBondContact O-N 3.48Å; M61-T63 VanDerWaalsContact C-N 3.33Å; M61-T63 PolarHBondContact O-N 2.91Å; T63-T66 PolarHBondContact O-N 3.39Å; T63-I67 HydrophobicContact CG2-CD1 3.71Å; T63-I67 WeakPolarHBondContact O-CB 3.36Å; T63-I67 WeakPolarHBondContact O-CG1 3.14Å; T63-I67 PolarHBondContact O-N 3.11Å
64	V	96.9	Very high	96	Very high	93 Å²	93	97.4 Å²	97.4	56%	0.564	52%	0.523	S	S	*	.	H	α-helix	trans	-65.3	-50.8	179.2	173.3	0	0	0	0	111.8	E60 M61 E62 T66 I67 L68	E60-V64 WeakPolarHBondContact O-CG2 3.5Å; E60-V64 PolarHBondContact O-N 2.7Å; M61-V64 PolarHBondContact O-N 3.35Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 3.4Å; V64-T66 PolarHBondContact O-N 3.03Å; V64-I67 PolarHBondContact O-N 3.38Å; V64-L68 VanDerWaalsContact O-CB 3.25Å; V64-L68 WeakPolarHBondContact O-CB 3.43Å; V64-L68 PolarHBondContact O-N 3.39Å
65	W	96.9	Very high	96.2	Very high	128 Å²	128	95.8 Å²	95.8	49%	0.485	51%	0.514	S	S	.	.	H	α-helix	trans	-74	-8.4	-177.2	71.6	42.1	0	0	0	113.8	M61 E62 P69	M61-W65 HydrophobicContact CB-CE3 4.46Å; M61-W65 HydrophobicContact CB-CZ3 4.23Å; M61-W65 HydrophobicContact CE-CE3 3.85Å; M61-W65 HydrophobicContact CE-CZ3 3.61Å; M61-W65 HydrophobicContact CG-CE3 3.58Å; M61-W65 HydrophobicContact CG-CH2 4.4Å; M61-W65 HydrophobicContact CG-CZ3 3.48Å; M61-W65 VanDerWaalsContact CG-CZ3 3.48Å; M61-W65 PolarHBondContact O-N 3.45Å; M61-W65 HydrophobicContact SD-CE3 4.1Å; M61-W65 HydrophobicContact SD-CH2 4.43Å; M61-W65 HydrophobicContact SD-CZ3 3.51Å; M61-W65 VanDerWaalsContact SD-CZ3 3.51Å; E62-W65 HydrophobicContact CB-CZ2 4.17Å; E62-W65 HydrophobicContact CG-CH2 3.96Å; E62-W65 HydrophobicContact CG-CZ2 3.2Å; E62-W65 PolarHBondContact O-N 3.46Å; W65-P69 VanDerWaalsContact C-CD 3.49Å; W65-P69 WeakPolarHBondContact O-CD 3.37Å; W65-P69 WeakPolarHBondContact O-CG 3.42Å
66	T	97.9	Very high	96.7	Very high	91 Å²	91	89.3 Å²	89.3	56%	0.558	48%	0.48	S	S	*	.	H	α-helix	trans	-92	-45.8	172.7	-65.9	0	0	0	0	111	E62 T63 V64 A70	E62-T66 WeakPolarHBondContact O-CB 3.22Å; E62-T66 PolarHBondContact O-N 3.17Å; E62-T66 VanDerWaalsContact O-N 3.07Å; E62-T66 PolarHBondContact O-OG1 3.21Å; E62-T66 VanDerWaalsContact O-OG1 3.07Å; T63-T66 PolarHBondContact O-N 3.39Å; V64-T66 PolarHBondContact O-N 3.03Å; T66-A70 PolarHBondContact O-N 3.27Å
67	I	98.4	Very high	97.2	Very high	96 Å²	96	87 Å²	87	49%	0.492	47%	0.467	S	S	.	.	H	α-helix	trans	-70.4	-42	-179	-66.2	175.1	0	0	0	111.2	T63 V64 A70 I71	T63-I67 HydrophobicContact CG2-CD1 3.71Å; T63-I67 WeakPolarHBondContact O-CB 3.36Å; T63-I67 WeakPolarHBondContact O-CG1 3.14Å; T63-I67 PolarHBondContact O-N 3.11Å; V64-I67 PolarHBondContact O-N 3.38Å; I67-A70 WeakPolarHBondContact O-CB 3.3Å; I67-A70 PolarHBondContact O-N 2.96Å; I67-I71 HydrophobicContact CG2-CD1 3.91Å; I67-I71 HydrophobicContact CG2-CG1 4.44Å; I67-I71 PolarHBondContact O-N 3.45Å; I67-I71 VanDerWaalsContact O-N 3.09Å
68	L	97.3	Very high	97.3	Very high	90 Å²	90	85.7 Å²	85.7	47%	0.471	46%	0.46	S	S	.	.	H	α-helix	trans	-62.6	-48.7	-175.2	-178.9	68	0	0	0	112.7	V64 A70 I71 I72	V64-L68 VanDerWaalsContact O-CB 3.25Å; V64-L68 WeakPolarHBondContact O-CB 3.43Å; V64-L68 PolarHBondContact O-N 3.39Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 2.82Å; L68-I71 PolarHBondContact O-N 3.06Å; L68-I72 HydrophobicContact CG-CD1 4.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.45Å; L68-I72 PolarHBondContact O-N 3.29Å; L68-I72 VanDerWaalsContact O-N 3.1Å
69	P	98.1	Very high	97.5	Very high	61 Å²	61	86 Å²	86	40%	0.396	46%	0.458	S	S	.	.	H	α-helix	trans	-62.4	-34.3	174	-26.9	39.1	0	0	0	113.6	W65 I71 I72 L73	W65-P69 VanDerWaalsContact C-CD 3.49Å; W65-P69 WeakPolarHBondContact O-CD 3.37Å; W65-P69 WeakPolarHBondContact O-CG 3.42Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.2Å; P69-I72 PolarHBondContact O-N 3.01Å; P69-L73 WeakPolarHBondContact O-CG 3.37Å; P69-L73 PolarHBondContact O-N 3.14Å
70	A	98.4	Very high	97.6	Very high	51 Å²	51	83.1 Å²	83.1	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-61.2	-42.3	176.2	0	0	0	0	0	111.7	T66 I67 L68 L73 I74	T66-A70 PolarHBondContact O-N 3.27Å; I67-A70 WeakPolarHBondContact O-CB 3.3Å; I67-A70 PolarHBondContact O-N 2.96Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 2.82Å; A70-L73 PolarHBondContact O-N 3.25Å; A70-I74 WeakPolarHBondContact O-CG1 3.44Å; A70-I74 PolarHBondContact O-N 3.32Å
71	I	98.4	Very high	97.8	Very high	87 Å²	87	80.2 Å²	80.2	45%	0.446	44%	0.439	S	S	.	.	H	α-helix	trans	-63.1	-44.8	174.2	-65.6	169.5	0	0	0	110.7	I67 L68 P69 L73 I74 L75	I67-I71 HydrophobicContact CG2-CD1 3.91Å; I67-I71 HydrophobicContact CG2-CG1 4.44Å; I67-I71 PolarHBondContact O-N 3.45Å; I67-I71 VanDerWaalsContact O-N 3.09Å; L68-I71 PolarHBondContact O-N 3.06Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.2Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 3.45Å; I71-I74 PolarHBondContact O-N 2.86Å; I71-I74 VanDerWaalsContact O-N 3.16Å; I71-L75 HydrophobicContact CG2-CD1 4.31Å; I71-L75 WeakPolarHBondContact O-CG 3.46Å; I71-L75 PolarHBondContact O-N 3.42Å; I71-L75 VanDerWaalsContact O-N 3.08Å
72	I	98.3	Very high	97.9	Very high	36 Å²	36	81.6 Å²	81.6	19%	0.185	44%	0.437	C	S	.	.	H	α-helix	trans	-58.9	-43	178.4	-68.3	169.9	0	0	0	111.2	I30 I34 L68 P69 I74 L75 I76	I30-I72 HydrophobicContact CG2-CG2 3.45Å; I30-I72 VanDerWaalsContact CG2-CG2 3.45Å; I34-I72 HydrophobicContact CD1-CD1 4.42Å; I34-I72 HydrophobicContact CD1-CG2 4.39Å; L68-I72 HydrophobicContact CG-CD1 4.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.45Å; L68-I72 PolarHBondContact O-N 3.29Å; L68-I72 VanDerWaalsContact O-N 3.1Å; P69-I72 PolarHBondContact O-N 3.01Å; I72-I74 VanDerWaalsContact C-N 3.32Å; I72-I74 PolarHBondContact O-N 3.08Å; I72-L75 PolarHBondContact O-N 3.26Å; I72-L75 VanDerWaalsContact O-N 3.17Å; I72-I76 HydrophobicContact CG2-CD1 4.17Å; I72-I76 PolarHBondContact O-N 2.77Å; I72-I76 VanDerWaalsContact O-N 3.12Å
73	L	98.4	Very high	97.9	Very high	117 Å²	117	78 Å²	78	61%	0.613	42%	0.421	S	S	*	.	H	α-helix	trans	-61.2	-39.8	177.2	-71.5	176.4	0	0	0	112.1	P69 A70 I71 L75 I76 A77	P69-L73 WeakPolarHBondContact O-CG 3.37Å; P69-L73 PolarHBondContact O-N 3.14Å; A70-L73 PolarHBondContact O-N 3.25Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 3.45Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.31Å; L73-I76 PolarHBondContact O-N 2.97Å; L73-A77 VanDerWaalsContact O-CB 3.25Å; L73-A77 WeakPolarHBondContact O-CB 3.49Å; L73-A77 PolarHBondContact O-N 2.97Å
74	I	98.4	Very high	97.8	Very high	102 Å²	102	80.3 Å²	80.3	52%	0.523	43%	0.43	S	S	.	.	H	α-helix	trans	-62.6	-42.4	175.3	-66.4	168.2	0	0	0	110.7	A70 I71 I72 I76 A77 L78	A70-I74 WeakPolarHBondContact O-CG1 3.44Å; A70-I74 PolarHBondContact O-N 3.32Å; I71-I74 PolarHBondContact O-N 2.86Å; I71-I74 VanDerWaalsContact O-N 3.16Å; I72-I74 VanDerWaalsContact C-N 3.32Å; I72-I74 PolarHBondContact O-N 3.08Å; I74-I76 VanDerWaalsContact C-N 3.25Å; I74-I76 PolarHBondContact O-N 3.36Å; I74-A77 PolarHBondContact O-N 3.47Å; I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CG 3.45Å; I74-L78 PolarHBondContact O-N 3.17Å; I74-L78 VanDerWaalsContact O-N 3.08Å
75	L	97.9	Very high	97.7	Very high	92 Å²	92	83.8 Å²	83.8	48%	0.482	43%	0.434	S	S	.	.	H	α-helix	trans	-65.1	-26.1	178.8	-66.1	176	0	0	0	113.6	H26 I71 I72 L73 P79	H26-L75 PolarHBondContact NE2-O 3.21Å; I71-L75 HydrophobicContact CG2-CD1 4.31Å; I71-L75 WeakPolarHBondContact O-CG 3.46Å; I71-L75 PolarHBondContact O-N 3.42Å; I71-L75 VanDerWaalsContact O-N 3.08Å; I72-L75 PolarHBondContact O-N 3.26Å; I72-L75 VanDerWaalsContact O-N 3.17Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.31Å; L75-P79 VanDerWaalsContact O-CD 3.26Å; L75-P79 WeakPolarHBondContact O-CD 3.37Å; L75-P79 WeakPolarHBondContact O-CG 3.37Å
76	I	98.4	Very high	97.5	Very high	41 Å²	41	81.1 Å²	81.1	21%	0.21	43%	0.428	C	S	.	.	H	α-helix	trans	-83.3	-42.6	172	-62.8	170.5	0	0	0	110.5	F23 I30 I72 L73 I74 L78 P79 S80	F23-I76 HydrophobicContact CE2-CG2 4.12Å; F23-I76 WeakPolarHBondContact CE2-O 3.32Å; F23-I76 HydrophobicContact CZ-CG2 4.04Å; I30-I76 HydrophobicContact CD1-CD1 4.19Å; I30-I76 HydrophobicContact CD1-CG1 3.62Å; I30-I76 HydrophobicContact CG2-CD1 4.14Å; I72-I76 HydrophobicContact CG2-CD1 4.17Å; I72-I76 PolarHBondContact O-N 2.77Å; I72-I76 VanDerWaalsContact O-N 3.12Å; L73-I76 PolarHBondContact O-N 2.97Å; I74-I76 VanDerWaalsContact C-N 3.25Å; I74-I76 PolarHBondContact O-N 3.36Å; I76-L78 PolarHBondContact O-N 2.89Å; I76-P79 WeakPolarHBondContact O-CD 3.37Å; I76-P79 WeakPolarHBondContact O-CG 3.26Å; I76-S80 WeakPolarHBondContact O-CB 3.25Å; I76-S80 PolarHBondContact O-N 2.87Å
77	A	98.3	Very high	97.2	Very high	43 Å²	43	79.5 Å²	79.5	36%	0.355	42%	0.418	S	S	.	.	H	α-helix	trans	-65.8	-39.4	-173.4	0	0	0	0	0	113.1	L73 I74 S80 L81	L73-A77 VanDerWaalsContact O-CB 3.25Å; L73-A77 WeakPolarHBondContact O-CB 3.49Å; L73-A77 PolarHBondContact O-N 2.97Å; I74-A77 PolarHBondContact O-N 3.47Å; A77-S80 WeakPolarHBondContact O-CB 3.5Å; A77-S80 PolarHBondContact O-N 3.5Å; A77-L81 WeakPolarHBondContact O-CB 3.35Å; A77-L81 WeakPolarHBondContact O-CG 3.23Å; A77-L81 PolarHBondContact O-N 3.17Å
78	L	97.6	Very high	96.6	Very high	113 Å²	113	80.8 Å²	80.8	59%	0.592	43%	0.426	S	S	*	.	H	α-helix	trans	-59.7	-54.4	-177.7	-70.3	175.3	0	0	0	113.8	I74 I76 S80 R82	I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 HydrophobicContact CG2-CG 4.22Å; I74-L78 WeakPolarHBondContact O-CG 3.45Å; I74-L78 PolarHBondContact O-N 3.17Å; I74-L78 VanDerWaalsContact O-N 3.08Å; I76-L78 PolarHBondContact O-N 2.89Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 2.73Å; L78-R82 PolarHBondContact O-N 3.33Å
79	P	97.9	Very high	95.8	Very high	42 Å²	42	82.7 Å²	82.7	27%	0.273	43%	0.432	S	S	.	.	H	α-helix	trans	-65.7	-34.7	175.4	24.7	-32.9	0	0	0	112.3	F23 L75 I76 R82 I83	F23-P79 HydrophobicContact CD2-CB 4.05Å; F23-P79 HydrophobicContact CD2-CG 4.03Å; F23-P79 HydrophobicContact CE2-CB 4.48Å; F23-P79 HydrophobicContact CE2-CG 4.07Å; L75-P79 VanDerWaalsContact O-CD 3.26Å; L75-P79 WeakPolarHBondContact O-CD 3.37Å; L75-P79 WeakPolarHBondContact O-CG 3.37Å; I76-P79 WeakPolarHBondContact O-CD 3.37Å; I76-P79 WeakPolarHBondContact O-CG 3.26Å; P79-R82 PolarHBondContact O-N 3.45Å; P79-I83 WeakPolarHBondContact O-CG1 3.42Å; P79-I83 PolarHBondContact O-N 2.67Å; P79-I83 VanDerWaalsContact O-N 3.14Å
80	S	98.3	Very high	94.4	Very high	48 Å²	48	83.5 Å²	83.5	34%	0.336	44%	0.436	S	S	.	.	H	α-helix	trans	-59.7	-49.9	177.3	-176.8	0	0	0	0	112.3	I76 A77 L78 R82 I83 L84	I76-S80 WeakPolarHBondContact O-CB 3.25Å; I76-S80 PolarHBondContact O-N 2.87Å; A77-S80 WeakPolarHBondContact O-CB 3.5Å; A77-S80 PolarHBondContact O-N 3.5Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 2.73Å; S80-R82 VanDerWaalsContact C-N 3.33Å; S80-R82 PolarHBondContact O-N 3.48Å; S80-I83 PolarHBondContact O-N 3.01Å; S80-L84 PolarHBondContact O-N 3.27Å
81	L	97.8	Very high	93	Very high	85 Å²	85	85.5 Å²	85.5	45%	0.445	44%	0.44	S	S	.	.	H	α-helix	trans	-65.2	-37.6	179.2	-71.1	173.4	0	0	0	111.5	A77 I83 L84 Y85	A77-L81 WeakPolarHBondContact O-CB 3.35Å; A77-L81 WeakPolarHBondContact O-CG 3.23Å; A77-L81 PolarHBondContact O-N 3.17Å; L81-I83 PolarHBondContact O-N 2.8Å; L81-L84 HydrophobicContact CD2-CD2 4.18Å; L81-L84 WeakPolarHBondContact O-CB 3.21Å; L81-L84 PolarHBondContact O-N 2.81Å; L81-Y85 WeakPolarHBondContact O-CD2 3.38Å; L81-Y85 PolarHBondContact O-N 2.86Å
82	R	96.9	Very high	92.4	Very high	156 Å²	156	88.6 Å²	88.6	59%	0.589	46%	0.457	S	S	*	.	H	α-helix	trans	-57.1	-48.7	175	179	-176.8	169.9	-152.7	-8.1	111.4	L78 P79 S80 L84 Y85 M86	L78-R82 PolarHBondContact O-N 3.33Å; P79-R82 PolarHBondContact O-N 3.45Å; S80-R82 VanDerWaalsContact C-N 3.33Å; S80-R82 PolarHBondContact O-N 3.48Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-Y85 PolarHBondContact O-N 2.95Å; R82-M86 HydrophobicContact CG-SD 4.08Å; R82-M86 WeakPolarHBondContact O-CG 3.5Å; R82-M86 PolarHBondContact O-N 3.2Å
83	I	96.8	Very high	92.1	Very high	9 Å²	9	87.8 Å²	87.8	5%	0.046	45%	0.454	C	S	.	.	H	α-helix	trans	-66.4	-38.4	179.9	-63.3	168.1	0	0	0	111.1	E19 L20 F23 P79 S80 L81 Y85 M86 T87	E19-I83 HydrophobicContact CB-CD1 4.1Å; E19-I83 HydrophobicContact CB-CG1 4.14Å; E19-I83 WeakPolarHBondContact O-CD1 3.47Å; L20-I83 HydrophobicContact CD2-CG2 3.9Å; L20-I83 HydrophobicContact CG-CG2 4.32Å; F23-I83 HydrophobicContact CB-CD1 3.45Å; F23-I83 VanDerWaalsContact CB-CD1 3.45Å; F23-I83 HydrophobicContact CG-CD1 3.97Å; P79-I83 WeakPolarHBondContact O-CG1 3.42Å; P79-I83 PolarHBondContact O-N 2.67Å; P79-I83 VanDerWaalsContact O-N 3.14Å; S80-I83 PolarHBondContact O-N 3.01Å; L81-I83 PolarHBondContact O-N 2.8Å; I83-Y85 PolarHBondContact O-N 3.45Å; I83-M86 PolarHBondContact O-N 2.95Å; I83-T87 PolarHBondContact O-N 2.9Å; I83-T87 PolarHBondContact O-OG1 2.95Å
84	L	96.7	Very high	91.7	Very high	105 Å²	105	86.1 Å²	86.1	55%	0.55	45%	0.452	S	S	.	.	H	α-helix	trans	-55.3	-50.4	175.3	178.2	66.6	0	0	0	111.2	S80 L81 R82 T87 D88	S80-L84 PolarHBondContact O-N 3.27Å; L81-L84 HydrophobicContact CD2-CD2 4.18Å; L81-L84 WeakPolarHBondContact O-CB 3.21Å; L81-L84 PolarHBondContact O-N 2.81Å; R82-L84 VanDerWaalsContact C-N 3.34Å; L84-T87 PolarHBondContact O-N 3.48Å; L84-D88 PolarHBondContact O-N 3.33Å
85	Y	94.8	Very high	91.4	Very high	167 Å²	167	81.4 Å²	81.4	66%	0.655	43%	0.428	S	S	*	.	H	α-helix	trans	-68.2	-35.4	178.7	-75.6	-69.8	0	0	0	113	L81 R82 I83 T87 D88 E89	L81-Y85 WeakPolarHBondContact O-CD2 3.38Å; L81-Y85 PolarHBondContact O-N 2.86Å; R82-Y85 PolarHBondContact O-N 2.95Å; I83-Y85 PolarHBondContact O-N 3.45Å; Y85-T87 VanDerWaalsContact C-N 3.26Å; Y85-T87 PolarHBondContact O-N 3.23Å; Y85-D88 PolarHBondContact O-N 3.4Å; Y85-E89 PolarHBondContact O-N 3.44Å
86	M	92.4	Very high	91.2	Very high	71 Å²	71	78.1 Å²	78.1	35%	0.35	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-31.4	174.2	-72.5	175	62.3	0	0	112.8	I16 E19 R82 I83	I16-M86 HydrophobicContact CD1-CB 4.26Å; E19-M86 HydrophobicContact CG-CE 4.37Å; R82-M86 HydrophobicContact CG-SD 4.08Å; R82-M86 WeakPolarHBondContact O-CG 3.5Å; R82-M86 PolarHBondContact O-N 3.2Å; I83-M86 PolarHBondContact O-N 2.95Å
87	T	91.4	Very high	91.1	Very high	57 Å²	57	76.2 Å²	76.2	35%	0.35	40%	0.402	S	S	.	.	H	α-helix	trans	-78.9	-31.1	-179.9	-51.7	0	0	0	0	112	I16 I83 L84 Y85	I16-T87 HydrophobicContact CG2-CG2 4.42Å; I83-T87 PolarHBondContact O-N 2.9Å; I83-T87 PolarHBondContact O-OG1 2.95Å; L84-T87 PolarHBondContact O-N 3.48Å; Y85-T87 VanDerWaalsContact C-N 3.26Å; Y85-T87 PolarHBondContact O-N 3.23Å
88	D	86.1	Confident	91	Very high	124 Å²	124	76.9 Å²	76.9	66%	0.663	40%	0.397	S	S	*	.	H	α-helix	trans	-83.1	-13.3	179.7	-160	47	0	0	0	113	L84 Y85 V90	L84-D88 PolarHBondContact O-N 3.33Å; Y85-D88 PolarHBondContact O-N 3.4Å; D88-V90 PolarHBondContact O-N 3.03Å
89	E	80.9	Confident	91	Very high	129 Å²	129	71.5 Å²	71.5	60%	0.603	37%	0.369	S	S	*	.			trans	-68.2	98.8	177.2	-162.6	167.9	-163.4	0	0	110.4	Y85 N91	Y85-E89 PolarHBondContact O-N 3.44Å; E89-N91 PolarHBondContact O-N 3.02Å
90	V	67.5	Low	91.1	Very high	78 Å²	78	69.8 Å²	69.8	47%	0.473	36%	0.358	S	S	.	.			trans	-74	97.9	179.2	-178.3	0	0	0	0	109.4	D88 T183	D88-V90 PolarHBondContact O-N 3.03Å; V90-T183 HydrophobicContact CG1-CG2 4.4Å
91	N	69.9	Low	91.1	Very high	94 Å²	94	67.5 Å²	67.5	50%	0.503	34%	0.342	S	S	.	.			trans	-66.6	146.7	167.1	-65.2	-49.7	0	0	0	110.3	E89 P93	E89-N91 PolarHBondContact O-N 3.02Å; N91-P93 WeakPolarHBondContact O-CD 3.08Å
92	D	86.6	Confident	91.1	Very high	152 Å²	152	64.2 Å²	64.2	81%	0.813	32%	0.324	S	S	*	.			trans	-57.6	102.7	173.3	-171.4	25	0	0	0	109.6
93	P	90.9	Very high	91.2	Very high	18 Å²	18	60.7 Å²	60.7	12%	0.117	31%	0.314	C	S	.	.			trans	-82.6	141.4	-168.2	30.1	-25.6	0	0	0	110.3	N91 L95 P149 R151	N91-P93 WeakPolarHBondContact O-CD 3.08Å; P93-L95 VanDerWaalsContact C-N 3.35Å; P93-P149 CarbonylContact C-O 3.59Å; P93-P149 WeakPolarHBondContact CA-O 3.08Å; P93-R151 HydrophobicContact CB-CB 3.75Å; P93-R151 VanDerWaalsContact CD-NH2 3.27Å; P93-R151 HydrophobicContact CG-CB 3.74Å; P93-R151 VanDerWaalsContact CG-NH2 3.27Å
94	S	91.3	Very high	91.2	Very high	82 Å²	82	64 Å²	64	57%	0.573	33%	0.326	S	S	*	.	S	Bend	trans	-79.7	-19.8	179.8	-50.2	0	0	0	0	113.1	P149	S94-P149 PolarHBondContact N-O 2.94Å
95	L	91.3	Very high	91.3	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	133.5	-178.2	171.1	62.7	0	0	0	110.3	P93 I97 D112 Y113 L144 P145 R151 F219	P93-L95 VanDerWaalsContact C-N 3.35Å; L95-I97 HydrophobicContact CD1-CD1 4.4Å; L95-I97 HydrophobicContact CD1-CG1 4.12Å; L95-I97 HydrophobicContact CD2-CD1 3.77Å; L95-I97 HydrophobicContact CD2-CG1 4.35Å; L95-I97 HydrophobicContact CG-CD1 4.03Å; L95-I97 HydrophobicContact CG-CG1 4.08Å; L95-D112 HydrophobicContact CD1-CB 4.48Å; L95-Y113 HydrophobicContact CD1-CD2 3.86Å; L95-Y113 HydrophobicContact CD1-CE2 3.68Å; L95-L144 HydrophobicContact CD2-CD2 4.28Å; L95-P145 HydrophobicContact CD2-CG 4.15Å; L95-R151 PolarHBondContact O-N 2.93Å; L95-F219 HydrophobicContact CD2-CE1 4.22Å; L95-F219 HydrophobicContact CD2-CZ 3.78Å
96	T	93.9	Very high	91.5	Very high	24 Å²	24	53.2 Å²	53.2	15%	0.147	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.5	171.4	-56.2	0	0	0	0	111.1	D112 R151 M153	T96-D112 PolarHBondContact N-OD2 3.17Å; T96-R151 WeakPolarHBondContact CA-O 3.15Å; T96-R151 HydrophobicContact CG2-CB 4.37Å; T96-R151 HydrophobicContact CG2-CG 4.31Å; T96-M153 HydrophobicContact CG2-CG 3.76Å
97	I	95.1	Very high	91.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.3	176	-67.2	163.1	0	0	0	109.2	L95 Y108 E109 Y110 L144 R151 M152 M153	L95-I97 HydrophobicContact CD1-CD1 4.4Å; L95-I97 HydrophobicContact CD1-CG1 4.12Å; L95-I97 HydrophobicContact CD2-CD1 3.77Å; L95-I97 HydrophobicContact CD2-CG1 4.35Å; L95-I97 HydrophobicContact CG-CD1 4.03Å; L95-I97 HydrophobicContact CG-CG1 4.08Å; I97-Y108 HydrophobicContact CG2-CD1 4.35Å; I97-E109 WeakPolarHBondContact CA-O 3.4Å; I97-Y110 HydrophobicContact CD1-CD1 3.77Å; I97-Y110 HydrophobicContact CD1-CE1 3.35Å; I97-Y110 HydrophobicContact CD1-CE2 4.4Å; I97-Y110 HydrophobicContact CD1-CG 4.48Å; I97-Y110 HydrophobicContact CG1-CD1 3.81Å; I97-Y110 HydrophobicContact CG1-CE1 3.91Å; I97-Y110 HydrophobicContact CG1-CG 4.15Å; I97-Y110 HydrophobicContact CG2-CE2 4.38Å; I97-L144 HydrophobicContact CD1-CD2 3.01Å; I97-L144 HydrophobicContact CD1-CG 4.47Å; I97-R151 PolarHBondContact N-O 2.66Å; I97-M152 HydrophobicContact CB-CE 4.36Å; I97-M152 HydrophobicContact CB-SD 3.83Å; I97-M152 HydrophobicContact CG2-CE 4Å; I97-M152 HydrophobicContact CG2-SD 4.11Å; I97-M152 CarbonylContact O-C 3.54Å; I97-M152 WeakPolarHBondContact O-CA 3.44Å; I97-M153 PolarHBondContact O-N 2.85Å
98	K	97.1	Very high	92.1	Very high	58 Å²	58	47.5 Å²	47.5	25%	0.252	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	135.1	171.7	-159.6	-176.2	-65.3	148.4	0	110.2	I100 Y108 E109 M153 T155 L179	K98-I100 HydrophobicContact CD-CD1 4Å; K98-I100 HydrophobicContact CD-CG1 3.96Å; K98-I100 HydrophobicContact CG-CG1 4.1Å; K98-Y108 CarbonylContact O-C 3.58Å; K98-Y108 VanDerWaalsContact O-CA 3.28Å; K98-Y108 WeakPolarHBondContact O-CA 3.34Å; K98-E109 HydrophobicContact CB-CB 4.05Å; K98-E109 HydrophobicContact CB-CG 4.42Å; K98-E109 WeakPolarHBondContact CD-OE2 3.38Å; K98-E109 WeakPolarHBondContact CE-OE2 3.37Å; K98-E109 PolarHBondContact N-O 3.06Å; K98-E109 IonicContact NZ-OE2 2.93Å; K98-E109 PolarHBondContact NZ-OE2 3.03Å; K98-E109 PolarHBondContact O-N 2.96Å; K98-M153 CarbonylContact C-O 3.58Å; K98-M153 VanDerWaalsContact CA-O 3.25Å; K98-M153 WeakPolarHBondContact CA-O 3.28Å; K98-M153 HydrophobicContact CB-CB 4.49Å; K98-M153 HydrophobicContact CG-CB 4.18Å; K98-M153 WeakPolarHBondContact CG-O 3.42Å; K98-T155 HydrophobicContact CD-CG2 4.49Å; K98-L179 HydrophobicContact CD-CD1 4.44Å; K98-L179 HydrophobicContact CG-CD1 4.38Å
99	S	98.1	Very high	92.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.6	168.5	-179.7	0	0	0	0	109	W106 Y108 M153 I154 T155 W163	S99-W106 VanDerWaalsContact OG-CE3 3.24Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.44Å; S99-M153 PolarHBondContact N-O 2.94Å; S99-I154 WeakPolarHBondContact O-CA 3.44Å; S99-T155 PolarHBondContact O-N 3.09Å; S99-W163 PolarHBondContact OG-NE1 2.87Å
100	I	98.8	Very high	93.1	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.7	-178.2	-52	177	0	0	0	108.5	K98 H102 W106 T107 E109 T155 Q157	K98-I100 HydrophobicContact CD-CD1 4Å; K98-I100 HydrophobicContact CD-CG1 3.96Å; K98-I100 HydrophobicContact CG-CG1 4.1Å; I100-H102 WeakPolarHBondContact CG2-NE2 3.26Å; I100-H102 PolarHBondContact O-CD2 3.24Å; I100-H102 VanDerWaalsContact O-CD2 3.28Å; I100-W106 WeakPolarHBondContact O-CA 3.41Å; I100-T107 PolarHBondContact N-O 2.89Å; I100-T107 PolarHBondContact O-N 3.48Å; I100-E109 HydrophobicContact CD1-CG 4.25Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.2Å; I100-T155 CarbonylContact C-O 3.56Å; I100-T155 WeakPolarHBondContact CA-O 3.42Å; I100-T155 HydrophobicContact CG1-CG2 4.04Å; I100-T155 HydrophobicContact CG2-CG2 4.42Å; I100-Q157 HydrophobicContact CG2-CB 4.2Å; I100-Q157 HydrophobicContact CG2-CG 3.61Å
101	G	98.6	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.1	174.9	0	0	0	0	0	112.3	T155 S156 Q157	G101-T155 PolarHBondContact N-O 3.28Å; G101-S156 PolarHBondContact O-OG 2.83Å; G101-Q157 PolarHBondContact O-N 3.44Å; G101-Q157 VanDerWaalsContact O-N 3.11Å
102	H	98.8	Very high	94.3	Very high	15 Å²	15	36.6 Å²	36.6	7%	0.069	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.9	173.6	-58.1	-103.5	0	0	0	110.3	I100 W104 Y105 T107 Q157 D158 H161 M207	I100-H102 WeakPolarHBondContact CG2-NE2 3.26Å; I100-H102 PolarHBondContact O-CD2 3.24Å; I100-H102 VanDerWaalsContact O-CD2 3.28Å; H102-W104 CarbonylContact O-C 3.52Å; H102-W104 WeakPolarHBondContact O-CA 3.49Å; H102-W104 PolarHBondContact O-N 3.38Å; H102-Y105 HydrophobicContact CB-CD1 3.81Å; H102-Y105 HydrophobicContact CB-CD2 4.34Å; H102-Y105 HydrophobicContact CB-CE1 3.51Å; H102-Y105 HydrophobicContact CB-CE2 4.08Å; H102-Y105 HydrophobicContact CB-CG 4.22Å; H102-Y105 AromaticContact CD2-CE2 3.73Å; H102-Y105 AromaticContact CD2-CZ 3.97Å; H102-Y105 AromaticContact CG-CE2 3.89Å; H102-Y105 AromaticContact CG-CZ 3.64Å; H102-Y105 PolarHBondContact N-O 3.3Å; H102-Y105 AromaticContact ND1-CZ 3.96Å; H102-Y105 PolarHBondContact O-N 3.15Å; H102-Y105 VanDerWaalsContact O-O 3.07Å; H102-T107 PolarHBondContact CD2-OG1 2.92Å; H102-T107 VanDerWaalsContact CD2-OG1 3.26Å; H102-T107 PolarHBondContact NE2-OG1 3.45Å; H102-Q157 VanDerWaalsContact CE1-CD 3.45Å; H102-Q157 PolarHBondContact CE1-OE1 3.22Å; H102-D158 VanDerWaalsContact CA-OD2 3.27Å; H102-D158 WeakPolarHBondContact CA-OD2 3.39Å; H102-H161 VanDerWaalsContact C-CE1 3.45Å; H102-H161 PolarHBondContact O-CE1 2.93Å; H102-M207 WeakPolarHBondContact O-CE 3.29Å
103	Q	98.3	Very high	93.7	Very high	83 Å²	83	33.1 Å²	33.1	39%	0.388	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	105.8	166.4	-67.5	-173.9	-54.8	0	0	109.8	D158 V159 C200	Q103-D158 PolarHBondContact N-OD2 3.16Å; Q103-V159 HydrophobicContact CG-CG2 3.89Å; Q103-C200 PolarHBondContact NE2-O 2.88Å
104	W	97.4	Very high	92.7	Very high	78 Å²	78	36.5 Å²	36.5	30%	0.295	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	cis	-130.6	79.3	-6.5	-63.6	-85.6	0	0	0	109	H102 C200 A202 N203 M207	H102-W104 CarbonylContact O-C 3.52Å; H102-W104 WeakPolarHBondContact O-CA 3.49Å; H102-W104 PolarHBondContact O-N 3.38Å; W104-C200 PolarHBondContact NE1-O 3.45Å; W104-A202 HydrophobicContact CH2-CB 3.92Å; W104-A202 HydrophobicContact CZ2-CB 3.73Å; W104-N203 HydrophobicContact CB-CB 3.73Å; W104-N203 HydrophobicContact CD2-CB 3.5Å; W104-N203 HydrophobicContact CE3-CB 3.84Å; W104-N203 HydrophobicContact CG-CB 3.45Å; W104-N203 VanDerWaalsContact CG-CB 3.45Å; W104-M207 HydrophobicContact CB-CB 4.34Å; W104-M207 HydrophobicContact CB-SD 4.17Å
105	Y	98.7	Very high	92.1	Very high	45 Å²	45	34.7 Å²	34.7	18%	0.176	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	172.2	-179.3	67	-83.4	0	0	0	110.1	H102 T107 N119 S120 Y121	H102-Y105 HydrophobicContact CB-CD1 3.81Å; H102-Y105 HydrophobicContact CB-CD2 4.34Å; H102-Y105 HydrophobicContact CB-CE1 3.51Å; H102-Y105 HydrophobicContact CB-CE2 4.08Å; H102-Y105 HydrophobicContact CB-CG 4.22Å; H102-Y105 AromaticContact CD2-CE2 3.73Å; H102-Y105 AromaticContact CD2-CZ 3.97Å; H102-Y105 AromaticContact CG-CE2 3.89Å; H102-Y105 AromaticContact CG-CZ 3.64Å; H102-Y105 PolarHBondContact N-O 3.3Å; H102-Y105 AromaticContact ND1-CZ 3.96Å; H102-Y105 PolarHBondContact O-N 3.15Å; H102-Y105 VanDerWaalsContact O-O 3.07Å; Y105-T107 WeakPolarHBondContact CE2-OG1 3.25Å; Y105-N119 HydrophobicContact CD2-CB 3.99Å; Y105-N119 HydrophobicContact CE2-CB 4.09Å; Y105-S120 WeakPolarHBondContact CB-O 3.43Å; Y105-Y121 VanDerWaalsContact CB-CD1 3.45Å; Y105-Y121 HydrophobicContact CD1-CD1 4.26Å; Y105-Y121 AromaticContact CD1-CE1 3.33Å; Y105-Y121 HydrophobicContact CD1-CE1 3.33Å; Y105-Y121 AromaticContact CD1-CZ 3.66Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.45Å; Y105-Y121 HydrophobicContact CD2-CE1 4.02Å; Y105-Y121 HydrophobicContact CD2-CE2 4.2Å; Y105-Y121 AromaticContact CD2-CZ 3.69Å; Y105-Y121 HydrophobicContact CE1-CE1 4.07Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.29Å; Y105-Y121 WeakPolarHBondContact CE2-OH 3.25Å; Y105-Y121 AromaticContact CG-CD1 3.95Å; Y105-Y121 HydrophobicContact CG-CD1 3.95Å; Y105-Y121 AromaticContact CG-CE1 3.3Å; Y105-Y121 HydrophobicContact CG-CE1 3.3Å; Y105-Y121 HydrophobicContact CG-CE2 4.28Å; Y105-Y121 AromaticContact CG-CZ 3.48Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.48Å
106	W	98.8	Very high	92	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.7	175.7	-66.2	94.4	0	0	0	110.4	S99 I100 Y108 N119 S120 H161 W163 A174 C196 M207 I209	S99-W106 VanDerWaalsContact OG-CE3 3.24Å; I100-W106 WeakPolarHBondContact O-CA 3.41Å; W106-Y108 HydrophobicContact CB-CD2 4.44Å; W106-Y108 HydrophobicContact CB-CE2 3.61Å; W106-N119 CarbonylContact O-C 3.52Å; W106-N119 WeakPolarHBondContact O-CA 3.39Å; W106-S120 PolarHBondContact N-O 3.08Å; W106-S120 PolarHBondContact O-N 2.84Å; W106-H161 HydrophobicContact CH2-CB 3.77Å; W106-H161 HydrophobicContact CZ2-CB 4.15Å; W106-W163 AromaticContact CE3-CD1 3.85Å; W106-W163 HydrophobicContact CH2-CB 3.69Å; W106-W163 HydrophobicContact CH2-CG 4.32Å; W106-W163 HydrophobicContact CZ2-CB 4.28Å; W106-W163 HydrophobicContact CZ3-CB 3.99Å; W106-W163 AromaticContact CZ3-CD1 3.86Å; W106-W163 HydrophobicContact CZ3-CG 4.35Å; W106-A174 HydrophobicContact CH2-CB 4.1Å; W106-A174 HydrophobicContact CZ3-CB 4.08Å; W106-C196 HydrophobicContact CZ2-CB 4.34Å; W106-M207 HydrophobicContact CD2-CE 4.18Å; W106-M207 HydrophobicContact CG-CE 4.45Å; W106-M207 HydrophobicContact CZ2-CE 3.84Å; W106-M207 PolarHBondContact NE1-O 3.14Å; W106-I209 HydrophobicContact CG-CG1 4.41Å; W106-I209 HydrophobicContact CZ2-CD1 4.16Å
107	T	98.6	Very high	92	Very high	9 Å²	9	40 Å²	40	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.3	169.5	-54.4	0	0	0	0	108.6	I100 H102 Y105 I117 F118 N119	I100-T107 PolarHBondContact N-O 2.89Å; I100-T107 PolarHBondContact O-N 3.48Å; H102-T107 PolarHBondContact CD2-OG1 2.92Å; H102-T107 VanDerWaalsContact CD2-OG1 3.26Å; H102-T107 PolarHBondContact NE2-OG1 3.45Å; Y105-T107 WeakPolarHBondContact CE2-OG1 3.25Å; T107-I117 HydrophobicContact CG2-CG2 3.69Å; T107-F118 WeakPolarHBondContact CA-O 3.34Å; T107-N119 PolarHBondContact OG1-OD1 2.96Å
108	Y	97.5	Very high	92	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.5	177.5	-63.8	-83.7	0	0	0	110.8	I97 K98 S99 W106 I117 F118 V142 M152 W163	I97-Y108 HydrophobicContact CG2-CD1 4.35Å; K98-Y108 CarbonylContact O-C 3.58Å; K98-Y108 VanDerWaalsContact O-CA 3.28Å; K98-Y108 WeakPolarHBondContact O-CA 3.34Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.44Å; W106-Y108 HydrophobicContact CB-CD2 4.44Å; W106-Y108 HydrophobicContact CB-CE2 3.61Å; Y108-I117 WeakPolarHBondContact O-CA 3.34Å; Y108-F118 AromaticContact CD2-CE2 3.88Å; Y108-F118 HydrophobicContact CD2-CE2 3.88Å; Y108-F118 HydrophobicContact CD2-CZ 4.3Å; Y108-F118 HydrophobicContact CG-CE2 4.41Å; Y108-F118 HydrophobicContact CG-CZ 4.4Å; Y108-F118 PolarHBondContact N-O 3.09Å; Y108-F118 PolarHBondContact O-N 3.2Å; Y108-F118 VanDerWaalsContact O-N 3.17Å; Y108-V142 HydrophobicContact CD1-CG1 4.25Å; Y108-V142 HydrophobicContact CD1-CG2 3.69Å; Y108-V142 HydrophobicContact CD2-CG2 3.47Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.47Å; Y108-V142 HydrophobicContact CE1-CG1 4.48Å; Y108-V142 HydrophobicContact CE1-CG2 3.51Å; Y108-V142 HydrophobicContact CE2-CG2 3.28Å; Y108-V142 HydrophobicContact CG-CG2 3.66Å; Y108-M152 HydrophobicContact CD1-CE 4.44Å; Y108-M152 HydrophobicContact CE1-CE 4.31Å; Y108-W163 AromaticContact CE1-NE1 3.62Å; Y108-W163 AromaticContact CZ-NE1 3.74Å; Y108-W163 PolarHBondContact OH-NE1 2.72Å
109	E	95.8	Very high	92.1	Very high	37 Å²	37	41.3 Å²	41.3	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.5	177.3	-48.6	-178.7	164	0	0	110.4	I97 K98 I100 L116 I117	I97-E109 WeakPolarHBondContact CA-O 3.4Å; K98-E109 HydrophobicContact CB-CB 4.05Å; K98-E109 HydrophobicContact CB-CG 4.42Å; K98-E109 WeakPolarHBondContact CD-OE2 3.38Å; K98-E109 WeakPolarHBondContact CE-OE2 3.37Å; K98-E109 PolarHBondContact N-O 3.06Å; K98-E109 IonicContact NZ-OE2 2.93Å; K98-E109 PolarHBondContact NZ-OE2 3.03Å; K98-E109 PolarHBondContact O-N 2.96Å; I100-E109 HydrophobicContact CD1-CG 4.25Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.2Å; E109-L116 WeakPolarHBondContact CA-O 3.36Å; E109-I117 HydrophobicContact CB-CG1 4.2Å; E109-I117 HydrophobicContact CG-CD1 4.24Å; E109-I117 HydrophobicContact CG-CG1 3.96Å; E109-I117 HydrophobicContact CG-CG2 4.23Å
110	Y	92.9	Very high	92.1	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	88.6	174.4	-69.2	-114.5	0	0	0	108.2	I97 D112 G115 L116 F118 V142 V143 L144 F219 V224	I97-Y110 HydrophobicContact CD1-CD1 3.77Å; I97-Y110 HydrophobicContact CD1-CE1 3.35Å; I97-Y110 HydrophobicContact CD1-CE2 4.4Å; I97-Y110 HydrophobicContact CD1-CG 4.48Å; I97-Y110 HydrophobicContact CG1-CD1 3.81Å; I97-Y110 HydrophobicContact CG1-CE1 3.91Å; I97-Y110 HydrophobicContact CG1-CG 4.15Å; I97-Y110 HydrophobicContact CG2-CE2 4.38Å; Y110-D112 VanDerWaalsContact C-N 3.32Å; Y110-D112 PolarHBondContact O-N 3.3Å; Y110-G115 WeakPolarHBondContact O-CA 3.32Å; Y110-G115 PolarHBondContact O-N 3.44Å; Y110-L116 HydrophobicContact CD2-CD2 4.31Å; Y110-L116 PolarHBondContact N-O 3.5Å; Y110-L116 PolarHBondContact O-N 3Å; Y110-F118 HydrophobicContact CD2-CE1 4.09Å; Y110-F118 HydrophobicContact CE2-CD1 4.49Å; Y110-F118 AromaticContact CE2-CE1 3.45Å; Y110-F118 HydrophobicContact CE2-CE1 3.45Å; Y110-F118 VanDerWaalsContact CE2-CE1 3.45Å; Y110-F118 AromaticContact CE2-CZ 3.96Å; Y110-F118 HydrophobicContact CE2-CZ 3.96Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.35Å; Y110-V143 PolarHBondContact OH-N 3.17Å; Y110-V143 PolarHBondContact OH-O 3.49Å; Y110-L144 HydrophobicContact CE1-CD2 4.45Å; Y110-F219 HydrophobicContact CE1-CE2 4.37Å; Y110-F219 HydrophobicContact CE1-CZ 4.4Å; Y110-V224 HydrophobicContact CE1-CG1 4.19Å
111	T	80.6	Confident	92.1	Very high	71 Å²	71	45.4 Å²	45.4	44%	0.436	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-30.7	-173	51	0	0	0	0	113.1	Y113	T111-Y113 VanDerWaalsContact C-N 3.32Å; T111-Y113 PolarHBondContact O-N 2.91Å
112	D	82.1	Confident	92.1	Very high	86 Å²	86	47.1 Å²	47.1	46%	0.46	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.7	-174	-58.3	-16.8	0	0	0	112.3	L95 T96 Y110	L95-D112 HydrophobicContact CD1-CB 4.48Å; T96-D112 PolarHBondContact N-OD2 3.17Å; Y110-D112 VanDerWaalsContact C-N 3.32Å; Y110-D112 PolarHBondContact O-N 3.3Å
113	Y	72.1	Confident	92	Very high	79 Å²	79	48.3 Å²	48.3	31%	0.31	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	66.6	-174.8	-71.6	-89.8	0	0	0	112.3	L95 T111 G115 F219 F225	L95-Y113 HydrophobicContact CD1-CD2 3.86Å; L95-Y113 HydrophobicContact CD1-CE2 3.68Å; T111-Y113 VanDerWaalsContact C-N 3.32Å; T111-Y113 PolarHBondContact O-N 2.91Å; Y113-G115 PolarHBondContact O-N 2.82Å; Y113-G115 VanDerWaalsContact O-N 3.17Å; Y113-F219 HydrophobicContact CE2-CE1 4.02Å; Y113-F219 HydrophobicContact CE2-CZ 4.47Å; Y113-F219 AromaticContact CZ-CE1 3.97Å; Y113-F225 HydrophobicContact CD1-CE2 4.47Å; Y113-F225 AromaticContact CD1-CZ 3.77Å; Y113-F225 HydrophobicContact CD1-CZ 3.77Å; Y113-F225 AromaticContact CG-CZ 3.95Å; Y113-F225 HydrophobicContact CG-CZ 3.95Å
114	G	70.7	Confident	91.9	Very high	90 Å²	90	47 Å²	47	93%	0.928	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	9.5	171.1	0	0	0	0	0	115.4
115	G	79.8	Confident	91.6	Very high	43 Å²	43	47.3 Å²	47.3	44%	0.443	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	38.6	175.9	0	0	0	0	0	113.7	Y110 Y113 I117	Y110-G115 WeakPolarHBondContact O-CA 3.32Å; Y110-G115 PolarHBondContact O-N 3.44Å; Y113-G115 PolarHBondContact O-N 2.82Å; Y113-G115 VanDerWaalsContact O-N 3.17Å; G115-I117 PolarHBondContact O-N 2.95Å
116	L	88.8	Confident	91.5	Very high	41 Å²	41	52.7 Å²	52.7	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	130	171.6	174	71.2	0	0	0	109.9	E109 Y110 F118 V224 F225	E109-L116 WeakPolarHBondContact CA-O 3.36Å; Y110-L116 HydrophobicContact CD2-CD2 4.31Å; Y110-L116 PolarHBondContact N-O 3.5Å; Y110-L116 PolarHBondContact O-N 3Å; L116-F118 HydrophobicContact CD2-CD1 4.32Å; L116-F118 HydrophobicContact CD2-CE1 4.41Å; L116-F118 HydrophobicContact CG-CD1 4.27Å; L116-V224 HydrophobicContact CD2-CG1 3.69Å; L116-V224 VanDerWaalsContact CD2-O 3.31Å; L116-V224 WeakPolarHBondContact CD2-O 3.4Å; L116-F225 HydrophobicContact CD2-CD1 4.41Å
117	I	94.2	Very high	91.3	Very high	97 Å²	97	59.8 Å²	59.8	50%	0.497	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.5	178.2	-56	177.1	0	0	0	108.5	T107 Y108 E109 G115	T107-I117 HydrophobicContact CG2-CG2 3.69Å; Y108-I117 WeakPolarHBondContact O-CA 3.34Å; E109-I117 HydrophobicContact CB-CG1 4.2Å; E109-I117 HydrophobicContact CG-CD1 4.24Å; E109-I117 HydrophobicContact CG-CG1 3.96Å; E109-I117 HydrophobicContact CG-CG2 4.23Å; G115-I117 PolarHBondContact O-N 2.95Å
118	F	95.3	Very high	91.1	Very high	31 Å²	31	61.6 Å²	61.6	14%	0.136	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.8	173.5	64.1	-94.1	0	0	0	112	T107 Y108 Y110 L116 N140	T107-F118 WeakPolarHBondContact CA-O 3.34Å; Y108-F118 AromaticContact CD2-CE2 3.88Å; Y108-F118 HydrophobicContact CD2-CE2 3.88Å; Y108-F118 HydrophobicContact CD2-CZ 4.3Å; Y108-F118 HydrophobicContact CG-CE2 4.41Å; Y108-F118 HydrophobicContact CG-CZ 4.4Å; Y108-F118 PolarHBondContact N-O 3.09Å; Y108-F118 PolarHBondContact O-N 3.2Å; Y108-F118 VanDerWaalsContact O-N 3.17Å; Y110-F118 HydrophobicContact CD2-CE1 4.09Å; Y110-F118 HydrophobicContact CE2-CD1 4.49Å; Y110-F118 AromaticContact CE2-CE1 3.45Å; Y110-F118 HydrophobicContact CE2-CE1 3.45Å; Y110-F118 VanDerWaalsContact CE2-CE1 3.45Å; Y110-F118 AromaticContact CE2-CZ 3.96Å; Y110-F118 HydrophobicContact CE2-CZ 3.96Å; L116-F118 HydrophobicContact CD2-CD1 4.32Å; L116-F118 HydrophobicContact CD2-CE1 4.41Å; L116-F118 HydrophobicContact CG-CD1 4.27Å; F118-N140 HydrophobicContact CD2-CB 3.61Å; F118-N140 HydrophobicContact CE2-CB 3.89Å
119	N	97.9	Very high	91	Very high	56 Å²	56	68.5 Å²	68.5	30%	0.299	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.4	175.7	-61.3	-6.6	0	0	0	109.9	Y105 W106 T107 Y121 N140	Y105-N119 HydrophobicContact CD2-CB 3.99Å; Y105-N119 HydrophobicContact CE2-CB 4.09Å; W106-N119 CarbonylContact O-C 3.52Å; W106-N119 WeakPolarHBondContact O-CA 3.39Å; T107-N119 PolarHBondContact OG1-OD1 2.96Å; N119-Y121 HydrophobicContact CB-CD2 4.11Å; N119-Y121 HydrophobicContact CB-CE2 3.48Å; N119-Y121 VanDerWaalsContact CB-CE2 3.48Å; N119-N140 PolarHBondContact O-ND2 2.87Å
120	S	98.3	Very high	91	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.007	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	107.6	177.8	169.3	0	0	0	0	109.1	Y105 W106 D139 N140	Y105-S120 WeakPolarHBondContact CB-O 3.43Å; W106-S120 PolarHBondContact N-O 3.08Å; W106-S120 PolarHBondContact O-N 2.84Å; S120-D139 WeakPolarHBondContact CA-OD1 3.32Å; S120-N140 WeakPolarHBondContact CB-O 3Å; S120-N140 PolarHBondContact OG-O 3.49Å
121	Y	98.4	Very high	91	Very high	91 Å²	91	76.9 Å²	76.9	36%	0.357	45%	0.45	S	S	.	.			trans	-105.5	148.6	175.8	-66.6	-89.6	0	0	0	111	Y105 N119 L123 V138 D139	Y105-Y121 VanDerWaalsContact CB-CD1 3.45Å; Y105-Y121 HydrophobicContact CD1-CD1 4.26Å; Y105-Y121 AromaticContact CD1-CE1 3.33Å; Y105-Y121 HydrophobicContact CD1-CE1 3.33Å; Y105-Y121 AromaticContact CD1-CZ 3.66Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.45Å; Y105-Y121 HydrophobicContact CD2-CE1 4.02Å; Y105-Y121 HydrophobicContact CD2-CE2 4.2Å; Y105-Y121 AromaticContact CD2-CZ 3.69Å; Y105-Y121 HydrophobicContact CE1-CE1 4.07Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.29Å; Y105-Y121 WeakPolarHBondContact CE2-OH 3.25Å; Y105-Y121 AromaticContact CG-CD1 3.95Å; Y105-Y121 HydrophobicContact CG-CD1 3.95Å; Y105-Y121 AromaticContact CG-CE1 3.3Å; Y105-Y121 HydrophobicContact CG-CE1 3.3Å; Y105-Y121 HydrophobicContact CG-CE2 4.28Å; Y105-Y121 AromaticContact CG-CZ 3.48Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.48Å; N119-Y121 HydrophobicContact CB-CD2 4.11Å; N119-Y121 HydrophobicContact CB-CE2 3.48Å; N119-Y121 VanDerWaalsContact CB-CE2 3.48Å; Y121-L123 PolarHBondContact O-N 2.97Å; Y121-V138 CarbonylContact O-C 3.55Å; Y121-V138 WeakPolarHBondContact O-CA 3.47Å; Y121-V138 VanDerWaalsContact O-CB 3.26Å; Y121-V138 WeakPolarHBondContact O-CB 3.25Å; Y121-D139 PolarHBondContact N-OD1 3.47Å; Y121-D139 PolarHBondContact O-N 3.23Å
122	M	98.4	Very high	91.8	Very high	35 Å²	35	76 Å²	76	17%	0.172	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-61.4	133.9	169.2	-171.4	-175.9	73.1	0	0	110.6	P124 L135 F206 P208	M122-P124 VanDerWaalsContact O-CD 3.28Å; M122-P124 WeakPolarHBondContact O-CD 3.31Å; M122-L135 HydrophobicContact CE-CD2 4.23Å; M122-L135 HydrophobicContact SD-CB 4.14Å; M122-L135 HydrophobicContact SD-CD2 3.88Å; M122-F206 WeakPolarHBondContact CB-O 3.41Å; M122-F206 HydrophobicContact CE-CB 3.7Å; M122-F206 HydrophobicContact CE-CD1 3.88Å; M122-F206 HydrophobicContact CE-CG 4.04Å; M122-F206 HydrophobicContact SD-CB 3.71Å; M122-F206 HydrophobicContact SD-CD1 3.86Å; M122-F206 HydrophobicContact SD-CG 4.24Å; M122-P208 HydrophobicContact CB-CG 3.99Å; M122-P208 HydrophobicContact CG-CG 3.96Å
123	L	97	Very high	92.5	Very high	41 Å²	41	74 Å²	74	22%	0.215	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-67.2	123.8	171.6	-73.3	175.5	0	0	0	110.6	Y121 L128 D137 D139	Y121-L123 PolarHBondContact O-N 2.97Å; L123-L128 HydrophobicContact CB-CD2 3.86Å; L123-D137 HydrophobicContact CD1-CB 4.12Å; L123-D137 PolarHBondContact N-O 2.82Å; L123-D139 HydrophobicContact CD2-CB 4.11Å
124	P	96	Very high	93.7	Very high	56 Å²	56	78.1 Å²	78.1	36%	0.364	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-63.2	150.1	173	-21.1	31.2	0	0	0	111.6	M122 L126 F127	M122-P124 VanDerWaalsContact O-CD 3.28Å; M122-P124 WeakPolarHBondContact O-CD 3.31Å; P124-L126 PolarHBondContact O-N 3.18Å; P124-F127 HydrophobicContact CB-CD2 3.9Å; P124-F127 HydrophobicContact CB-CE2 4.43Å; P124-F127 HydrophobicContact CG-CD2 3.77Å; P124-F127 HydrophobicContact CG-CE2 4.17Å; P124-F127 PolarHBondContact O-N 3.12Å
125	P	92.5	Very high	95	Very high	83 Å²	83	75.6 Å²	75.6	54%	0.539	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-55.1	-24.8	-178.3	-28.1	35.2	0	0	0	115.8	F127 L128	P125-F127 VanDerWaalsContact C-N 3.29Å; P125-L128 HydrophobicContact CB-CD1 4.48Å
126	L	95.3	Very high	95.9	Very high	159 Å²	159	75 Å²	75	83%	0.832	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-73.3	-20.1	178.2	-75.9	84.8	0	0	0	113.4	P124	P124-L126 PolarHBondContact O-N 3.18Å
127	F	94.2	Very high	96.3	Very high	149 Å²	149	73.1 Å²	73.1	65%	0.654	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-107	4.6	-178	-61	-67.9	0	0	0	113	P124 P125	P124-F127 HydrophobicContact CB-CD2 3.9Å; P124-F127 HydrophobicContact CB-CE2 4.43Å; P124-F127 HydrophobicContact CG-CD2 3.77Å; P124-F127 HydrophobicContact CG-CE2 4.17Å; P124-F127 PolarHBondContact O-N 3.12Å; P125-F127 VanDerWaalsContact C-N 3.29Å
128	L	95.3	Very high	96.5	Very high	47 Å²	47	68.8 Å²	68.8	25%	0.246	37%	0.366	C	S	.	.			trans	-73.5	131.9	176.7	-65.1	174.7	0	0	0	110.3	L123 P125 D132 R134	L123-L128 HydrophobicContact CB-CD2 3.86Å; P125-L128 HydrophobicContact CB-CD1 4.48Å; L128-D132 HydrophobicContact CB-CB 4.16Å; L128-D132 HydrophobicContact CD2-CB 3.72Å; L128-D132 HydrophobicContact CG-CB 4.48Å; L128-R134 HydrophobicContact CD1-CB 4.18Å; L128-R134 HydrophobicContact CD1-CG 4.35Å
129	E	96	Very high	96.5	Very high	144 Å²	144	70.8 Å²	70.8	67%	0.673	38%	0.378	S	S	*	.			trans	-88.4	159.5	171.6	-61.8	-165.3	159.4	0	0	111.2	G131 D132	E129-G131 PolarHBondContact O-N 3.35Å; E129-D132 PolarHBondContact N-OD2 2.96Å; E129-D132 WeakPolarHBondContact O-CB 3.42Å; E129-D132 PolarHBondContact O-N 2.83Å
130	P	95.6	Very high	96.4	Very high	143 Å²	143	70 Å²	70	93%	0.929	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	112.7	174.6	-24.4	34.9	0	0	0	111.9
131	G	93.6	Very high	96.4	Very high	71 Å²	71	73.1 Å²	73.1	73%	0.732	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.8	-20.6	-177	0	0	0	0	0	113	E129	E129-G131 PolarHBondContact O-N 3.35Å
132	D	96.3	Very high	96.3	Very high	53 Å²	53	68.8 Å²	68.8	28%	0.283	37%	0.369	S	S	.	.			trans	-70.4	153.1	177.7	-66	-17.6	0	0	0	112.3	L128 E129 D137	L128-D132 HydrophobicContact CB-CB 4.16Å; L128-D132 HydrophobicContact CD2-CB 3.72Å; L128-D132 HydrophobicContact CG-CB 4.48Å; E129-D132 PolarHBondContact N-OD2 2.96Å; E129-D132 WeakPolarHBondContact O-CB 3.42Å; E129-D132 PolarHBondContact O-N 2.83Å; D132-D137 WeakPolarHBondContact CA-OD2 3.39Å
133	L	97.1	Very high	96.1	Very high	44 Å²	44	67.6 Å²	67.6	23%	0.23	36%	0.363	C	S	.	.			trans	-100	110.5	-176.2	-59	172.2	0	0	0	110	M1 L135 L136 D137 Y193	M1-L133 HydrophobicContact CE-CD1 3.7Å; M1-L133 HydrophobicContact CE-CD2 3.79Å; M1-L133 HydrophobicContact CE-CG 4.3Å; M1-L133 HydrophobicContact SD-CD1 3.19Å; M1-L133 WeakPolarHBondContact SD-CD1 3.36Å; M1-L133 HydrophobicContact SD-CD2 3.8Å; M1-L133 HydrophobicContact SD-CG 4.11Å; L133-L135 PolarHBondContact O-N 2.9Å; L133-L136 HydrophobicContact CB-CB 3.84Å; L133-L136 HydrophobicContact CB-CD1 4.29Å; L133-L136 HydrophobicContact CD1-CB 4.49Å; L133-L136 HydrophobicContact CD1-CD1 4.25Å; L133-L136 PolarHBondContact O-N 3.3Å; L133-D137 WeakPolarHBondContact CB-OD2 3.45Å; L133-D137 PolarHBondContact N-OD2 2.84Å; L133-D137 PolarHBondContact O-N 2.82Å; L133-D137 VanDerWaalsContact O-N 3.11Å; L133-Y193 HydrophobicContact CD1-CD1 4.36Å; L133-Y193 HydrophobicContact CD1-CD2 4.3Å; L133-Y193 HydrophobicContact CD1-CE1 3.84Å; L133-Y193 HydrophobicContact CD1-CE2 3.77Å
134	R	97.5	Very high	96	Very high	165 Å²	165	65.6 Å²	65.6	62%	0.623	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	127.7	174.1	-168.1	-169.5	64.4	89.3	2.9	110.9	L128 L136	L128-R134 HydrophobicContact CD1-CB 4.18Å; L128-R134 HydrophobicContact CD1-CG 4.35Å; R134-L136 PolarHBondContact O-N 3.28Å
135	L	97.6	Very high	96	Very high	38 Å²	38	63 Å²	63	20%	0.199	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	-0.6	-179	-45	-174.4	0	0	0	116.7	M122 L133 F206 P208	M122-L135 HydrophobicContact CE-CD2 4.23Å; M122-L135 HydrophobicContact SD-CB 4.14Å; M122-L135 HydrophobicContact SD-CD2 3.88Å; L133-L135 PolarHBondContact O-N 2.9Å; L135-F206 HydrophobicContact CD1-CD1 4.47Å; L135-F206 HydrophobicContact CD1-CE1 4.1Å; L135-F206 HydrophobicContact CD2-CD1 3.82Å; L135-F206 HydrophobicContact CD2-CE1 3.78Å; L135-P208 WeakPolarHBondContact O-CG 3.3Å
136	L	98.2	Very high	96.2	Very high	30 Å²	30	60 Å²	60	16%	0.157	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-40.1	-176.5	-70.5	-179.5	0	0	0	112.7	M1 L133 R134 Y193 Q195 P208 V210	M1-L136 HydrophobicContact CE-CD1 3.9Å; L133-L136 HydrophobicContact CB-CB 3.84Å; L133-L136 HydrophobicContact CB-CD1 4.29Å; L133-L136 HydrophobicContact CD1-CB 4.49Å; L133-L136 HydrophobicContact CD1-CD1 4.25Å; L133-L136 PolarHBondContact O-N 3.3Å; R134-L136 PolarHBondContact O-N 3.28Å; L136-Y193 HydrophobicContact CB-CD1 3.76Å; L136-Y193 HydrophobicContact CB-CE1 4.16Å; L136-Q195 HydrophobicContact CD2-CG 3.81Å; L136-P208 WeakPolarHBondContact O-CB 3.49Å; L136-P208 WeakPolarHBondContact O-CG 3.5Å; L136-V210 WeakPolarHBondContact O-CG2 3.13Å
137	D	97.9	Very high	96.1	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.011	31%	0.31	C	S	.	.			trans	-70.2	149.2	177.8	-79.9	-59	0	0	0	112.3	L123 D132 L133 R141 Y193	L123-D137 HydrophobicContact CD1-CB 4.12Å; L123-D137 PolarHBondContact N-O 2.82Å; D132-D137 WeakPolarHBondContact CA-OD2 3.39Å; L133-D137 WeakPolarHBondContact CB-OD2 3.45Å; L133-D137 PolarHBondContact N-OD2 2.84Å; L133-D137 PolarHBondContact O-N 2.82Å; L133-D137 VanDerWaalsContact O-N 3.11Å; D137-R141 IonicContact OD1-CZ 3.81Å; D137-R141 IonicContact OD1-NH2 3.89Å; D137-R141 PolarHBondContact OD1-NH2 3.31Å; D137-Y193 WeakPolarHBondContact OD1-CE1 3.19Å; D137-Y193 PolarHBondContact OD1-OH 3.45Å
138	V	98.1	Very high	96	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.036	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-125.9	159.8	-176.5	-63.8	0	0	0	0	110.3	Y121 N140 R141 P208 V210	Y121-V138 CarbonylContact O-C 3.55Å; Y121-V138 WeakPolarHBondContact O-CA 3.47Å; Y121-V138 VanDerWaalsContact O-CB 3.26Å; Y121-V138 WeakPolarHBondContact O-CB 3.25Å; V138-N140 WeakPolarHBondContact CG2-O 3.44Å; V138-R141 HydrophobicContact CG2-CG 3.93Å; V138-P208 HydrophobicContact CG1-CG 3.7Å; V138-V210 HydrophobicContact CB-CG2 4.33Å; V138-V210 HydrophobicContact CG1-CG2 3.92Å; V138-V210 HydrophobicContact CG2-CB 3.7Å; V138-V210 HydrophobicContact CG2-CG2 3.63Å
139	D	96.2	Very high	95.9	Very high	72 Å²	72	52.4 Å²	52.4	39%	0.385	28%	0.28	S	S	.	.	S	Bend	trans	-65.9	-44.1	173.6	57.5	-4.3	0	0	0	112.5	S120 Y121 L123	S120-D139 WeakPolarHBondContact CA-OD1 3.32Å; Y121-D139 PolarHBondContact N-OD1 3.47Å; Y121-D139 PolarHBondContact O-N 3.23Å; L123-D139 HydrophobicContact CD2-CB 4.11Å
140	N	95.9	Very high	95.9	Very high	39 Å²	39	45.5 Å²	45.5	21%	0.209	25%	0.248	C	C	.	.	S	Bend	trans	-124.4	112.6	-178.9	-60.9	-65	0	0	0	111.1	F118 N119 S120 V138	F118-N140 HydrophobicContact CD2-CB 3.61Å; F118-N140 HydrophobicContact CE2-CB 3.89Å; N119-N140 PolarHBondContact O-ND2 2.87Å; S120-N140 WeakPolarHBondContact CB-O 3Å; S120-N140 PolarHBondContact OG-O 3.49Å; V138-N140 WeakPolarHBondContact CG2-O 3.44Å
141	R	96.7	Very high	95.8	Very high	67 Å²	67	41.7 Å²	41.7	25%	0.253	22%	0.215	S	C	.	.			trans	-80.7	151.7	176.6	-60.9	-178	174.1	165.6	-2.2	111.1	D137 V138 V143 V210 E212	D137-R141 IonicContact OD1-CZ 3.81Å; D137-R141 IonicContact OD1-NH2 3.89Å; D137-R141 PolarHBondContact OD1-NH2 3.31Å; V138-R141 HydrophobicContact CG2-CG 3.93Å; R141-V143 PolarHBondContact O-N 3.45Å; R141-V210 HydrophobicContact CB-CG1 4.36Å; R141-V210 HydrophobicContact CG-CB 4.03Å; R141-V210 HydrophobicContact CG-CG1 3.71Å; R141-E212 HydrophobicContact CB-CB 4.27Å; R141-E212 IonicContact NH1-OE2 3.59Å
142	V	96.2	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	102.9	173	-172.9	0	0	0	0	108.6	Y108 Y110 L144 V210 L211 E212	Y108-V142 HydrophobicContact CD1-CG1 4.25Å; Y108-V142 HydrophobicContact CD1-CG2 3.69Å; Y108-V142 HydrophobicContact CD2-CG2 3.47Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.47Å; Y108-V142 HydrophobicContact CE1-CG1 4.48Å; Y108-V142 HydrophobicContact CE1-CG2 3.51Å; Y108-V142 HydrophobicContact CE2-CG2 3.28Å; Y108-V142 HydrophobicContact CG-CG2 3.66Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.35Å; V142-L144 HydrophobicContact CG1-CD1 4.22Å; V142-L144 HydrophobicContact CG1-CD2 4.02Å; V142-L144 HydrophobicContact CG1-CG 4Å; V142-V210 PolarHBondContact N-O 2.74Å; V142-L211 HydrophobicContact CB-CD2 3.6Å; V142-L211 HydrophobicContact CG1-CD2 3.88Å; V142-L211 HydrophobicContact CG2-CD2 4.18Å; V142-L211 CarbonylContact O-C 3.48Å; V142-L211 WeakPolarHBondContact O-CA 3.41Å; V142-E212 PolarHBondContact O-N 2.92Å
143	V	95.6	Very high	96	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.5	-178.8	-173.7	0	0	0	0	110.3	Y110 R141 E212 I214 F219 V224	Y110-V143 PolarHBondContact OH-N 3.17Å; Y110-V143 PolarHBondContact OH-O 3.49Å; R141-V143 PolarHBondContact O-N 3.45Å; V143-E212 CarbonylContact C-O 3.57Å; V143-E212 VanDerWaalsContact CA-O 3.29Å; V143-E212 WeakPolarHBondContact CA-O 3.2Å; V143-E212 HydrophobicContact CG2-CB 4.32Å; V143-I214 HydrophobicContact CG1-CD1 3.47Å; V143-I214 VanDerWaalsContact CG1-CD1 3.47Å; V143-I214 HydrophobicContact CG1-CG1 3.86Å; V143-F219 HydrophobicContact CG1-CD2 4.31Å; V143-F219 WeakPolarHBondContact O-CE2 3.29Å; V143-V224 HydrophobicContact CB-CG1 4.49Å; V143-V224 HydrophobicContact CB-CG2 3.79Å; V143-V224 HydrophobicContact CG1-CG2 3.76Å
144	L	95.1	Very high	96.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.2	-172.1	-64	178.9	0	0	0	111.6	L95 I97 Y110 V142 I150 F184 L211 E212 L213 I214	L95-L144 HydrophobicContact CD2-CD2 4.28Å; I97-L144 HydrophobicContact CD1-CD2 3.01Å; I97-L144 HydrophobicContact CD1-CG 4.47Å; Y110-L144 HydrophobicContact CE1-CD2 4.45Å; V142-L144 HydrophobicContact CG1-CD1 4.22Å; V142-L144 HydrophobicContact CG1-CD2 4.02Å; V142-L144 HydrophobicContact CG1-CG 4Å; L144-I150 HydrophobicContact CB-CD1 3.88Å; L144-I150 HydrophobicContact CD1-CD1 4.13Å; L144-I150 HydrophobicContact CD2-CD1 4.26Å; L144-I150 HydrophobicContact CG-CD1 4.33Å; L144-F184 HydrophobicContact CD1-CE2 4.41Å; L144-F184 HydrophobicContact CD1-CZ 3.74Å; L144-L211 HydrophobicContact CD1-CD1 4.19Å; L144-L211 HydrophobicContact CD1-CD2 3.82Å; L144-L211 HydrophobicContact CD1-CG 4.44Å; L144-E212 PolarHBondContact N-O 3.31Å; L144-L213 HydrophobicContact CB-CD2 3.44Å; L144-L213 VanDerWaalsContact CB-CD2 3.44Å; L144-L213 HydrophobicContact CB-CG 4.34Å; L144-L213 HydrophobicContact CD1-CD2 4.44Å; L144-L213 WeakPolarHBondContact O-CA 3.35Å; L144-I214 PolarHBondContact O-N 2.92Å
145	P	95.1	Very high	96.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.013	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.3	173.2	30.9	-33.2	0	0	0	112.4	L95 A148 I150 I214 L216 F219	L95-P145 HydrophobicContact CD2-CG 4.15Å; P145-A148 HydrophobicContact CB-CB 4.35Å; P145-A148 HydrophobicContact CG-CB 4.03Å; P145-I150 HydrophobicContact CG-CD1 4.43Å; P145-I214 CarbonylContact C-O 3.53Å; P145-I214 VanDerWaalsContact CA-O 3.29Å; P145-I214 WeakPolarHBondContact CA-O 3.25Å; P145-L216 HydrophobicContact CB-CB 4.24Å; P145-L216 HydrophobicContact CB-CD1 3.7Å; P145-L216 HydrophobicContact CG-CD1 4.22Å; P145-F219 HydrophobicContact CB-CB 4.25Å; P145-F219 HydrophobicContact CB-CD1 4.29Å; P145-F219 HydrophobicContact CB-CG 4.18Å; P145-F219 HydrophobicContact CG-CD1 4.2Å; P145-F219 HydrophobicContact CG-CE1 4.36Å; P145-F219 HydrophobicContact CG-CG 4.36Å
146	I	96.3	Very high	96.2	Very high	20 Å²	20	26.9 Å²	26.9	10%	0.103	13%	0.133	C	C	.	.	S	Bend	trans	-75.4	162.1	165	63.1	175.5	0	0	0	111.3	A148 R188 P189 L213 I214 P215	I146-A148 PolarHBondContact O-N 2.78Å; I146-R188 WeakPolarHBondContact CG2-O 3.19Å; I146-P189 HydrophobicContact CD1-CB 4.38Å; I146-P189 HydrophobicContact CD1-CG 4.49Å; I146-P189 HydrophobicContact CG2-CB 4.36Å; I146-L213 HydrophobicContact CG2-CB 3.77Å; I146-L213 HydrophobicContact CG2-CD2 4.36Å; I146-I214 PolarHBondContact N-O 3.41Å; I146-P215 HydrophobicContact CD1-CG 4.48Å
147	E	93.9	Very high	96.2	Very high	155 Å²	155	31.8 Å²	31.8	72%	0.724	16%	0.155	S	C	*	.	S	Bend	trans	59.6	9	175	-58.3	-179.6	171.2	0	0	115.2	A186	E147-A186 PolarHBondContact N-O 2.82Å
148	A	92.1	Very high	96.2	Very high	8 Å²	8	34.3 Å²	34.3	7%	0.066	17%	0.169	C	C	.	.	S	Bend	trans	-108.7	136.5	173.9	0	0	0	0	0	110.3	P145 I146 I150	P145-A148 HydrophobicContact CB-CB 4.35Å; P145-A148 HydrophobicContact CG-CB 4.03Å; I146-A148 PolarHBondContact O-N 2.78Å; A148-I150 PolarHBondContact O-N 2.79Å
149	P	93.6	Very high	96.2	Very high	31 Å²	31	36.6 Å²	36.6	20%	0.201	18%	0.182	C	C	.	.			trans	-69	117.6	169.5	24.7	-28	0	0	0	110	P93 S94 T185	P93-P149 CarbonylContact C-O 3.59Å; P93-P149 WeakPolarHBondContact CA-O 3.08Å; S94-P149 PolarHBondContact N-O 2.94Å; P149-T185 WeakPolarHBondContact CA-OG1 3.37Å
150	I	94.4	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.2	-179.3	-62	164	0	0	0	108.7	L144 P145 A148 M152 T183 F184	L144-I150 HydrophobicContact CB-CD1 3.88Å; L144-I150 HydrophobicContact CD1-CD1 4.13Å; L144-I150 HydrophobicContact CD2-CD1 4.26Å; L144-I150 HydrophobicContact CG-CD1 4.33Å; P145-I150 HydrophobicContact CG-CD1 4.43Å; A148-I150 PolarHBondContact O-N 2.79Å; I150-M152 HydrophobicContact CG2-CG 4.48Å; I150-M152 HydrophobicContact CG2-SD 4.17Å; I150-T183 VanDerWaalsContact O-CA 3.28Å; I150-T183 WeakPolarHBondContact O-CA 3.24Å; I150-F184 HydrophobicContact CB-CE1 4.28Å; I150-F184 HydrophobicContact CB-CZ 4.27Å; I150-F184 HydrophobicContact CD1-CE2 4.04Å; I150-F184 HydrophobicContact CD1-CZ 4.12Å; I150-F184 HydrophobicContact CG2-CE1 4.14Å; I150-F184 HydrophobicContact CG2-CZ 4.26Å; I150-F184 PolarHBondContact N-O 2.8Å; I150-F184 PolarHBondContact O-N 2.87Å
151	R	95.5	Very high	96.5	Very high	63 Å²	63	35.2 Å²	35.2	24%	0.238	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.4	170.4	-178.1	-171.4	-73.6	143.7	-2.9	109.7	P93 L95 T96 I97 M153 Q181 T183	P93-R151 HydrophobicContact CB-CB 3.75Å; P93-R151 VanDerWaalsContact CD-NH2 3.27Å; P93-R151 HydrophobicContact CG-CB 3.74Å; P93-R151 VanDerWaalsContact CG-NH2 3.27Å; L95-R151 PolarHBondContact O-N 2.93Å; T96-R151 WeakPolarHBondContact CA-O 3.15Å; T96-R151 HydrophobicContact CG2-CB 4.37Å; T96-R151 HydrophobicContact CG2-CG 4.31Å; I97-R151 PolarHBondContact N-O 2.66Å; R151-M153 VanDerWaalsContact CD-SD 3.58Å; R151-M153 HydrophobicContact CG-SD 3.79Å; R151-Q181 VanDerWaalsContact CD-CD 3.49Å; R151-Q181 HydrophobicContact CG-CG 3.63Å; R151-T183 HydrophobicContact CB-CG2 4.25Å; R151-T183 HydrophobicContact CG-CG2 4.36Å
152	M	96.1	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.9	169.8	-64.8	-61.6	-65.8	0	0	110	I97 Y108 I150 I154 W163 Q181 T182 F184	I97-M152 HydrophobicContact CB-CE 4.36Å; I97-M152 HydrophobicContact CB-SD 3.83Å; I97-M152 HydrophobicContact CG2-CE 4Å; I97-M152 HydrophobicContact CG2-SD 4.11Å; I97-M152 CarbonylContact O-C 3.54Å; I97-M152 WeakPolarHBondContact O-CA 3.44Å; Y108-M152 HydrophobicContact CD1-CE 4.44Å; Y108-M152 HydrophobicContact CE1-CE 4.31Å; I150-M152 HydrophobicContact CG2-CG 4.48Å; I150-M152 HydrophobicContact CG2-SD 4.17Å; M152-I154 HydrophobicContact CB-CD1 4.14Å; M152-I154 HydrophobicContact CB-CG1 4.22Å; M152-W163 HydrophobicContact CE-CH2 4.24Å; M152-W163 HydrophobicContact CE-CZ2 3.92Å; M152-W163 HydrophobicContact CG-CH2 4.35Å; M152-Q181 WeakPolarHBondContact O-CA 3.45Å; M152-T182 HydrophobicContact CB-CG2 3.86Å; M152-T182 PolarHBondContact N-O 3.11Å; M152-T182 PolarHBondContact O-N 2.93Å; M152-F184 HydrophobicContact CG-CD1 4.22Å; M152-F184 HydrophobicContact CG-CE1 3.55Å; M152-F184 HydrophobicContact SD-CE1 4.33Å
153	M	97.3	Very high	96.7	Very high	32 Å²	32	32 Å²	32	16%	0.158	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.8	171.5	-55.1	-57.6	-72.2	0	0	108.6	T96 I97 K98 S99 R151 L179 N180 Q181	T96-M153 HydrophobicContact CG2-CG 3.76Å; I97-M153 PolarHBondContact O-N 2.85Å; K98-M153 CarbonylContact C-O 3.58Å; K98-M153 VanDerWaalsContact CA-O 3.25Å; K98-M153 WeakPolarHBondContact CA-O 3.28Å; K98-M153 HydrophobicContact CB-CB 4.49Å; K98-M153 HydrophobicContact CG-CB 4.18Å; K98-M153 WeakPolarHBondContact CG-O 3.42Å; S99-M153 PolarHBondContact N-O 2.94Å; R151-M153 VanDerWaalsContact CD-SD 3.58Å; R151-M153 HydrophobicContact CG-SD 3.79Å; M153-L179 HydrophobicContact CB-CD1 3.88Å; M153-L179 HydrophobicContact CB-CD2 4.31Å; M153-L179 HydrophobicContact CB-CG 4.11Å; M153-L179 HydrophobicContact CE-CD2 3.44Å; M153-L179 VanDerWaalsContact CE-CD2 3.44Å; M153-L179 HydrophobicContact CE-CG 3.69Å; M153-N180 CarbonylContact C-O 3.54Å; M153-N180 WeakPolarHBondContact CA-O 3.39Å; M153-Q181 HydrophobicContact CE-CB 4.18Å; M153-Q181 HydrophobicContact SD-CB 3.81Å; M153-Q181 HydrophobicContact SD-CG 3.69Å
154	I	98.6	Very high	96.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.3	-167.3	-62.7	161.2	0	0	0	109.4	S99 M152 W163 T172 A174 N180 T182	S99-I154 WeakPolarHBondContact O-CA 3.44Å; M152-I154 HydrophobicContact CB-CD1 4.14Å; M152-I154 HydrophobicContact CB-CG1 4.22Å; I154-W163 HydrophobicContact CD1-CB 4.08Å; I154-W163 HydrophobicContact CD1-CD2 4.23Å; I154-W163 HydrophobicContact CD1-CE3 3.89Å; I154-W163 HydrophobicContact CD1-CG 4.35Å; I154-W163 HydrophobicContact CG1-CB 4.36Å; I154-W163 HydrophobicContact CG2-CB 3.9Å; I154-T172 HydrophobicContact CB-CG2 4.28Å; I154-T172 HydrophobicContact CD1-CG2 3.93Å; I154-A174 HydrophobicContact CG2-CB 3.71Å; I154-N180 PolarHBondContact N-O 3.01Å; I154-N180 PolarHBondContact O-N 3.33Å; I154-T182 HydrophobicContact CD1-CG2 3.72Å
155	T	98.8	Very high	97	Very high	22 Å²	22	31.7 Å²	31.7	14%	0.135	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	178.7	179.2	-165.1	0	0	0	0	110.8	K98 S99 I100 G101 A174 I175 R178 L179	K98-T155 HydrophobicContact CD-CG2 4.49Å; S99-T155 PolarHBondContact O-N 3.09Å; I100-T155 CarbonylContact C-O 3.56Å; I100-T155 WeakPolarHBondContact CA-O 3.42Å; I100-T155 HydrophobicContact CG1-CG2 4.04Å; I100-T155 HydrophobicContact CG2-CG2 4.42Å; G101-T155 PolarHBondContact N-O 3.28Å; T155-A174 WeakPolarHBondContact O-CB 3.47Å; T155-I175 PolarHBondContact OG1-O 3.33Å; T155-R178 VanDerWaalsContact CB-O 3.26Å; T155-R178 WeakPolarHBondContact CB-O 3.26Å; T155-R178 PolarHBondContact OG1-O 3.18Å; T155-L179 HydrophobicContact CG2-CD1 3.97Å
156	S	98.5	Very high	97.2	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.3	177.6	172.9	0	0	0	0	110.8	G101 D158 V159 H161 A174 P176	G101-S156 PolarHBondContact O-OG 2.83Å; S156-D158 PolarHBondContact OG-N 2.9Å; S156-D158 VanDerWaalsContact OG-N 3.15Å; S156-D158 PolarHBondContact OG-OD1 2.97Å; S156-V159 VanDerWaalsContact CB-O 3.24Å; S156-V159 WeakPolarHBondContact CB-O 3.47Å; S156-V159 PolarHBondContact OG-O 3.27Å; S156-H161 PolarHBondContact OG-CD2 3.19Å; S156-A174 WeakPolarHBondContact CB-O 3.34Å; S156-P176 WeakPolarHBondContact O-CA 3.26Å
157	Q	98.4	Very high	97.3	Very high	132 Å²	132	33.7 Å²	33.7	62%	0.617	18%	0.175	S	C	*	.	S	Bend	trans	-101.4	-5.7	172.5	-80.5	-175.4	17.7	0	0	114.2	I100 G101 H102	I100-Q157 HydrophobicContact CG2-CB 4.2Å; I100-Q157 HydrophobicContact CG2-CG 3.61Å; G101-Q157 PolarHBondContact O-N 3.44Å; G101-Q157 VanDerWaalsContact O-N 3.11Å; H102-Q157 VanDerWaalsContact CE1-CD 3.45Å; H102-Q157 PolarHBondContact CE1-OE1 3.22Å
158	D	97.9	Very high	97.5	Very high	56 Å²	56	26.3 Å²	26.3	30%	0.299	14%	0.141	S	C	.	.	S	Bend	trans	-134	-86.9	-179.1	48.2	33.9	0	0	0	114.1	H102 Q103 S156 H161 P176	H102-D158 VanDerWaalsContact CA-OD2 3.27Å; H102-D158 WeakPolarHBondContact CA-OD2 3.39Å; Q103-D158 PolarHBondContact N-OD2 3.16Å; S156-D158 PolarHBondContact OG-N 2.9Å; S156-D158 VanDerWaalsContact OG-N 3.15Å; S156-D158 PolarHBondContact OG-OD1 2.97Å; D158-H161 IonicContact OD1-CD2 2.76Å; D158-H161 IonicContact OD1-CE1 3.83Å; D158-H161 IonicContact OD1-NE2 2.71Å; D158-H161 PolarHBondContact OD1-NE2 3Å; D158-P176 WeakPolarHBondContact O-CG 3.39Å
159	V	98.4	Very high	97.7	Very high	54 Å²	54	27.2 Å²	27.2	33%	0.327	15%	0.15	S	C	.	.	S	Bend	trans	-110	-179.3	-177.1	-62.4	0	0	0	0	110.5	Q103 S156 H161 C200	Q103-V159 HydrophobicContact CG-CG2 3.89Å; S156-V159 VanDerWaalsContact CB-O 3.24Å; S156-V159 WeakPolarHBondContact CB-O 3.47Å; S156-V159 PolarHBondContact OG-O 3.27Å; V159-H161 PolarHBondContact O-CD2 2.86Å; V159-H161 PolarHBondContact O-N 2.78Å; V159-C200 HydrophobicContact CG2-CB 3.84Å
160	L	98.7	Very high	97.9	Very high	81 Å²	81	26.4 Å²	26.4	42%	0.424	14%	0.144	S	C	.	.			trans	-66.4	135.4	172	-61.3	176.2	0	0	0	110.4	I175 E198 C200	L160-I175 HydrophobicContact CD2-CB 4.15Å; L160-I175 HydrophobicContact CD2-CG1 3.88Å; L160-I175 HydrophobicContact CD2-CG2 3.94Å; L160-E198 HydrophobicContact CB-CG 3.78Å; L160-C200 VanDerWaalsContact O-CB 3.3Å; L160-C200 WeakPolarHBondContact O-CB 3.47Å
161	H	98.8	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	175.9	165.8	-58.5	-94.3	0	0	0	108.4	H102 W106 S156 D158 V159 A174 C200 M207	H102-H161 VanDerWaalsContact C-CE1 3.45Å; H102-H161 PolarHBondContact O-CE1 2.93Å; W106-H161 HydrophobicContact CH2-CB 3.77Å; W106-H161 HydrophobicContact CZ2-CB 4.15Å; S156-H161 PolarHBondContact OG-CD2 3.19Å; D158-H161 IonicContact OD1-CD2 2.76Å; D158-H161 IonicContact OD1-CE1 3.83Å; D158-H161 IonicContact OD1-NE2 2.71Å; D158-H161 PolarHBondContact OD1-NE2 3Å; V159-H161 PolarHBondContact O-CD2 2.86Å; V159-H161 PolarHBondContact O-N 2.78Å; H161-A174 HydrophobicContact CB-CB 3.95Å; H161-A174 PolarHBondContact N-O 2.92Å; H161-A174 PolarHBondContact O-N 3.17Å; H161-C200 VanDerWaalsContact CE1-CB 3.4Å; H161-C200 WeakPolarHBondContact CE1-CB 3.2Å; H161-C200 WeakPolarHBondContact ND1-CB 3.35Å; H161-C200 PolarHBondContact ND1-SG 3.26Å; H161-C200 VanDerWaalsContact ND1-SG 3.41Å; H161-M207 WeakPolarHBondContact ND1-CE 3.27Å; H161-M207 PolarHBondContact ND1-SD 3.24Å
162	S	98.7	Very high	98.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	121.9	171.2	-171.5	0	0	0	0	110	K171 D173 C196 S197	S162-K171 WeakPolarHBondContact OG-CE 3.43Å; S162-D173 WeakPolarHBondContact CB-OD1 3.35Å; S162-D173 PolarHBondContact OG-OD1 2.9Å; S162-C196 WeakPolarHBondContact O-CA 3.24Å; S162-S197 PolarHBondContact O-N 2.93Å
163	W	98.8	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115	-178.6	-169.7	90.8	0	0	0	108.5	S99 W106 Y108 M152 I154 V165 L170 K171 T172 I209 L211	S99-W163 PolarHBondContact OG-NE1 2.87Å; W106-W163 AromaticContact CE3-CD1 3.85Å; W106-W163 HydrophobicContact CH2-CB 3.69Å; W106-W163 HydrophobicContact CH2-CG 4.32Å; W106-W163 HydrophobicContact CZ2-CB 4.28Å; W106-W163 HydrophobicContact CZ3-CB 3.99Å; W106-W163 AromaticContact CZ3-CD1 3.86Å; W106-W163 HydrophobicContact CZ3-CG 4.35Å; Y108-W163 AromaticContact CE1-NE1 3.62Å; Y108-W163 AromaticContact CZ-NE1 3.74Å; Y108-W163 PolarHBondContact OH-NE1 2.72Å; M152-W163 HydrophobicContact CE-CH2 4.24Å; M152-W163 HydrophobicContact CE-CZ2 3.92Å; M152-W163 HydrophobicContact CG-CH2 4.35Å; I154-W163 HydrophobicContact CD1-CB 4.08Å; I154-W163 HydrophobicContact CD1-CD2 4.23Å; I154-W163 HydrophobicContact CD1-CE3 3.89Å; I154-W163 HydrophobicContact CD1-CG 4.35Å; I154-W163 HydrophobicContact CG1-CB 4.36Å; I154-W163 HydrophobicContact CG2-CB 3.9Å; W163-V165 HydrophobicContact CE3-CG2 4.44Å; W163-V165 HydrophobicContact CH2-CG2 3.63Å; W163-V165 HydrophobicContact CZ2-CG2 3.88Å; W163-V165 HydrophobicContact CZ3-CG2 3.93Å; W163-L170 HydrophobicContact CH2-CD1 4.38Å; W163-L170 HydrophobicContact CZ3-CB 4.16Å; W163-L170 HydrophobicContact CZ3-CD1 3.89Å; W163-K171 WeakPolarHBondContact O-CA 3.37Å; W163-T172 PolarHBondContact N-O 3.05Å; W163-T172 PolarHBondContact O-N 3.02Å; W163-I209 HydrophobicContact CB-CD1 4.32Å; W163-I209 HydrophobicContact CD2-CD1 4.22Å; W163-I209 HydrophobicContact CG-CD1 3.74Å; W163-I209 HydrophobicContact CZ2-CG2 3.85Å; W163-L211 HydrophobicContact CH2-CD1 4.09Å; W163-L211 HydrophobicContact CH2-CD2 4.31Å; W163-L211 HydrophobicContact CZ2-CD1 4.43Å; W163-L211 HydrophobicContact CZ2-CD2 3.88Å; W163-L211 HydrophobicContact CZ2-CG 4.49Å
164	A	98.8	Very high	98.5	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.033	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.7	-172.6	0	0	0	0	0	112.1	L170 K171 G194 Q195 S197	A164-L170 CarbonylContact C-O 3.57Å; A164-L170 VanDerWaalsContact CA-O 3.25Å; A164-L170 WeakPolarHBondContact CA-O 3.28Å; A164-K171 HydrophobicContact CB-CB 4.11Å; A164-K171 HydrophobicContact CB-CG 4.09Å; A164-G194 WeakPolarHBondContact O-CA 3.35Å; A164-Q195 PolarHBondContact O-N 3.01Å; A164-S197 VanDerWaalsContact CB-OG 3.24Å; A164-S197 WeakPolarHBondContact CB-OG 3.31Å
165	V	98.7	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	93.1	174.5	-175.7	0	0	0	0	108	W163 T167 L168 G169 L170 I209 L211	W163-V165 HydrophobicContact CE3-CG2 4.44Å; W163-V165 HydrophobicContact CH2-CG2 3.63Å; W163-V165 HydrophobicContact CZ2-CG2 3.88Å; W163-V165 HydrophobicContact CZ3-CG2 3.93Å; V165-T167 PolarHBondContact O-N 3.03Å; V165-L168 HydrophobicContact CB-CD1 4.35Å; V165-L168 HydrophobicContact CG1-CB 4.37Å; V165-L168 HydrophobicContact CG1-CD1 3.91Å; V165-L168 HydrophobicContact CG1-CG 4.18Å; V165-L168 PolarHBondContact O-N 2.71Å; V165-L168 VanDerWaalsContact O-N 3.09Å; V165-G169 PolarHBondContact O-N 3.06Å; V165-L170 PolarHBondContact N-O 3.35Å; V165-L170 PolarHBondContact O-N 2.85Å; V165-I209 HydrophobicContact CG2-CG2 3.78Å; V165-L211 HydrophobicContact CB-CD1 4.46Å; V165-L211 HydrophobicContact CG1-CD1 4.11Å; V165-L211 HydrophobicContact CG2-CD1 4.01Å; V165-L211 HydrophobicContact CG2-CG 4.27Å
166	P	98.4	Very high	98.4	Very high	59 Å²	59	35.5 Å²	35.5	38%	0.383	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-59.2	-38.5	-168.1	-29	36.3	0	0	0	115.1	L168 G169	P166-L168 PolarHBondContact O-N 3.4Å; P166-G169 PolarHBondContact O-N 3.41Å
167	T	98.2	Very high	98.4	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.025	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.3	178.9	50.3	0	0	0	0	113.1	Q10 T13 M17 V165 Y192	Q10-T167 HydrophobicContact CB-CG2 3.8Å; T13-T167 PolarHBondContact N-O 3.26Å; T13-T167 VanDerWaalsContact OG1-C 3.23Å; T13-T167 WeakPolarHBondContact OG1-CB 3.5Å; T13-T167 PolarHBondContact OG1-O 3.03Å; T13-T167 PolarHBondContact OG1-OG1 2.71Å; M17-T167 WeakPolarHBondContact CB-O 3.43Å; M17-T167 WeakPolarHBondContact CG-O 3.41Å; V165-T167 PolarHBondContact O-N 3.03Å; T167-Y192 HydrophobicContact CG2-CD1 4.38Å
168	L	97.9	Very high	98.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-91.8	-3.2	177.2	-69.4	170.8	0	0	0	112.6	T13 S14 V165 P166 L170 F184 A186 L211	T13-L168 VanDerWaalsContact OG1-CD2 3.25Å; T13-L168 WeakPolarHBondContact OG1-CD2 3.43Å; S14-L168 PolarHBondContact OG-O 3.23Å; V165-L168 HydrophobicContact CB-CD1 4.35Å; V165-L168 HydrophobicContact CG1-CB 4.37Å; V165-L168 HydrophobicContact CG1-CD1 3.91Å; V165-L168 HydrophobicContact CG1-CG 4.18Å; V165-L168 PolarHBondContact O-N 2.71Å; V165-L168 VanDerWaalsContact O-N 3.09Å; P166-L168 PolarHBondContact O-N 3.4Å; L168-L170 VanDerWaalsContact C-N 3.3Å; L168-L170 HydrophobicContact CB-CD1 3.64Å; L168-L170 HydrophobicContact CB-CG 3.73Å; L168-L170 HydrophobicContact CD1-CD1 3.88Å; L168-L170 HydrophobicContact CG-CD1 4.42Å; L168-F184 HydrophobicContact CD1-CD2 3.89Å; L168-F184 HydrophobicContact CD1-CE2 3.66Å; L168-F184 HydrophobicContact CD1-CZ 4.1Å; L168-F184 HydrophobicContact CD2-CD2 4.1Å; L168-F184 HydrophobicContact CD2-CE2 4.41Å; L168-A186 HydrophobicContact CD2-CB 3.93Å; L168-L211 HydrophobicContact CD1-CD1 3.42Å; L168-L211 VanDerWaalsContact CD1-CD1 3.42Å
169	G	97.6	Very high	98.3	Very high	26 Å²	26	41.7 Å²	41.7	27%	0.268	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	25	-174.5	0	0	0	0	0	113.4	M17 V165 P166	M17-G169 VanDerWaalsContact SD-CA 3.53Å; V165-G169 PolarHBondContact O-N 3.06Å; P166-G169 PolarHBondContact O-N 3.41Å
170	L	97.9	Very high	98.3	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.8	-173.4	-57.3	173.4	0	0	0	111.4	W163 A164 V165 L168 T182 F184	W163-L170 HydrophobicContact CH2-CD1 4.38Å; W163-L170 HydrophobicContact CZ3-CB 4.16Å; W163-L170 HydrophobicContact CZ3-CD1 3.89Å; A164-L170 CarbonylContact C-O 3.57Å; A164-L170 VanDerWaalsContact CA-O 3.25Å; A164-L170 WeakPolarHBondContact CA-O 3.28Å; V165-L170 PolarHBondContact N-O 3.35Å; V165-L170 PolarHBondContact O-N 2.85Å; L168-L170 VanDerWaalsContact C-N 3.3Å; L168-L170 HydrophobicContact CB-CD1 3.64Å; L168-L170 HydrophobicContact CB-CG 3.73Å; L168-L170 HydrophobicContact CD1-CD1 3.88Å; L168-L170 HydrophobicContact CG-CD1 4.42Å; L170-T182 HydrophobicContact CD2-CG2 4.48Å; L170-F184 HydrophobicContact CD1-CB 3.85Å; L170-F184 HydrophobicContact CD1-CD1 3.29Å; L170-F184 HydrophobicContact CD1-CD2 4.24Å; L170-F184 HydrophobicContact CD1-CE1 3.74Å; L170-F184 HydrophobicContact CD1-CG 3.55Å; L170-F184 HydrophobicContact CD1-CZ 4.39Å; L170-F184 HydrophobicContact CD2-CB 3.96Å; L170-F184 HydrophobicContact CD2-CD1 4.47Å; L170-F184 HydrophobicContact CG-CB 4.37Å; L170-F184 HydrophobicContact CG-CD1 4.48Å
171	K	98.5	Very high	98.2	Very high	122 Å²	122	40.1 Å²	40.1	53%	0.53	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	124.8	164.2	178.4	173.4	175.4	172.5	0	108.3	S162 W163 A164 S197	S162-K171 WeakPolarHBondContact OG-CE 3.43Å; W163-K171 WeakPolarHBondContact O-CA 3.37Å; A164-K171 HydrophobicContact CB-CB 4.11Å; A164-K171 HydrophobicContact CB-CG 4.09Å; K171-S197 PolarHBondContact NZ-O 2.89Å
172	T	98.6	Very high	98	Very high	23 Å²	23	41 Å²	41	14%	0.141	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	130.5	178	-58.5	0	0	0	0	109.9	I154 W163 N180	I154-T172 HydrophobicContact CB-CG2 4.28Å; I154-T172 HydrophobicContact CD1-CG2 3.93Å; W163-T172 PolarHBondContact N-O 3.05Å; W163-T172 PolarHBondContact O-N 3.02Å; T172-N180 HydrophobicContact CG2-CB 3.51Å
173	D	98.7	Very high	97.8	Very high	64 Å²	64	42.1 Å²	42.1	34%	0.342	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.6	-177.5	-61.3	-16.5	0	0	0	111	S162 I175 N180	S162-D173 WeakPolarHBondContact CB-OD1 3.35Å; S162-D173 PolarHBondContact OG-OD1 2.9Å; D173-I175 HydrophobicContact CB-CD1 4.19Å; D173-I175 HydrophobicContact CB-CG1 3.99Å; D173-N180 PolarHBondContact O-ND2 2.93Å
174	A	98.7	Very high	97.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	102.8	171.9	0	0	0	0	0	108	W106 I154 T155 S156 H161	W106-A174 HydrophobicContact CH2-CB 4.1Å; W106-A174 HydrophobicContact CZ3-CB 4.08Å; I154-A174 HydrophobicContact CG2-CB 3.71Å; T155-A174 WeakPolarHBondContact O-CB 3.47Å; S156-A174 WeakPolarHBondContact CB-O 3.34Å; H161-A174 HydrophobicContact CB-CB 3.95Å; H161-A174 PolarHBondContact N-O 2.92Å; H161-A174 PolarHBondContact O-N 3.17Å
175	I	98.7	Very high	97.4	Very high	48 Å²	48	44.4 Å²	44.4	25%	0.246	25%	0.254	C	S	.	.			trans	-111.3	126	-172.2	-57.8	171.6	0	0	0	108.9	T155 L160 D173 G177 R178	T155-I175 PolarHBondContact OG1-O 3.33Å; L160-I175 HydrophobicContact CD2-CB 4.15Å; L160-I175 HydrophobicContact CD2-CG1 3.88Å; L160-I175 HydrophobicContact CD2-CG2 3.94Å; D173-I175 HydrophobicContact CB-CD1 4.19Å; D173-I175 HydrophobicContact CB-CG1 3.99Å; I175-G177 PolarHBondContact O-N 2.83Å; I175-R178 HydrophobicContact CB-CB 4.1Å; I175-R178 HydrophobicContact CG2-CB 4.18Å; I175-R178 PolarHBondContact O-N 3.46Å
176	P	98.3	Very high	97.3	Very high	52 Å²	52	44.4 Å²	44.4	34%	0.338	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-56.3	129.9	176.2	-23.4	32.3	0	0	0	111.6	S156 D158 R178	S156-P176 WeakPolarHBondContact O-CA 3.26Å; D158-P176 WeakPolarHBondContact O-CG 3.39Å; P176-R178 VanDerWaalsContact C-N 3.28Å; P176-R178 PolarHBondContact O-N 2.79Å
177	G	97.4	Very high	97.2	Very high	89 Å²	89	44 Å²	44	92%	0.918	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	5	-178.9	0	0	0	0	0	115.4	I175	I175-G177 PolarHBondContact O-N 2.83Å
178	R	98	Very high	97.1	Very high	149 Å²	149	48.4 Å²	48.4	56%	0.562	27%	0.267	S	S	*	.			trans	-128	137.4	173.4	177	172.2	174.1	164.7	0.3	110.5	T155 I175 P176 N180	T155-R178 VanDerWaalsContact CB-O 3.26Å; T155-R178 WeakPolarHBondContact CB-O 3.26Å; T155-R178 PolarHBondContact OG1-O 3.18Å; I175-R178 HydrophobicContact CB-CB 4.1Å; I175-R178 HydrophobicContact CG2-CB 4.18Å; I175-R178 PolarHBondContact O-N 3.46Å; P176-R178 VanDerWaalsContact C-N 3.28Å; P176-R178 PolarHBondContact O-N 2.79Å; R178-N180 PolarHBondContact NE-OD1 3.29Å; R178-N180 PolarHBondContact NH2-OD1 3.19Å
179	L	97.6	Very high	97	Very high	86 Å²	86	52.2 Å²	52.2	45%	0.45	29%	0.291	S	S	.	.			trans	-107.2	100.3	175.4	-165.8	67.7	0	0	0	108.5	K98 M153 T155	K98-L179 HydrophobicContact CD-CD1 4.44Å; K98-L179 HydrophobicContact CG-CD1 4.38Å; M153-L179 HydrophobicContact CB-CD1 3.88Å; M153-L179 HydrophobicContact CB-CD2 4.31Å; M153-L179 HydrophobicContact CB-CG 4.11Å; M153-L179 HydrophobicContact CE-CD2 3.44Å; M153-L179 VanDerWaalsContact CE-CD2 3.44Å; M153-L179 HydrophobicContact CE-CG 3.69Å; T155-L179 HydrophobicContact CG2-CD1 3.97Å
180	N	97.7	Very high	97	Very high	23 Å²	23	52.4 Å²	52.4	12%	0.123	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	154.9	174	-76.4	-32.1	0	0	0	110.1	M153 I154 T172 D173 R178	M153-N180 CarbonylContact C-O 3.54Å; M153-N180 WeakPolarHBondContact CA-O 3.39Å; I154-N180 PolarHBondContact N-O 3.01Å; I154-N180 PolarHBondContact O-N 3.33Å; T172-N180 HydrophobicContact CG2-CB 3.51Å; D173-N180 PolarHBondContact O-ND2 2.93Å; R178-N180 PolarHBondContact NE-OD1 3.29Å; R178-N180 PolarHBondContact NH2-OD1 3.19Å
181	Q	95.4	Very high	97	Very high	78 Å²	78	54 Å²	54	36%	0.364	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.9	177.7	-178.5	178.8	-47.8	0	0	109.4	R151 M152 M153	R151-Q181 VanDerWaalsContact CD-CD 3.49Å; R151-Q181 HydrophobicContact CG-CG 3.63Å; M152-Q181 WeakPolarHBondContact O-CA 3.45Å; M153-Q181 HydrophobicContact CE-CB 4.18Å; M153-Q181 HydrophobicContact SD-CB 3.81Å; M153-Q181 HydrophobicContact SD-CG 3.69Å
182	T	95.4	Very high	97	Very high	18 Å²	18	49.2 Å²	49.2	11%	0.11	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.8	163.3	-172	0	0	0	0	109.4	M152 I154 L170	M152-T182 HydrophobicContact CB-CG2 3.86Å; M152-T182 PolarHBondContact N-O 3.11Å; M152-T182 PolarHBondContact O-N 2.93Å; I154-T182 HydrophobicContact CD1-CG2 3.72Å; L170-T182 HydrophobicContact CD2-CG2 4.48Å
183	T	94.7	Very high	97	Very high	24 Å²	24	49.4 Å²	49.4	15%	0.147	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.5	179.3	47.7	0	0	0	0	110.3	V90 I150 R151	V90-T183 HydrophobicContact CG1-CG2 4.4Å; I150-T183 VanDerWaalsContact O-CA 3.28Å; I150-T183 WeakPolarHBondContact O-CA 3.24Å; R151-T183 HydrophobicContact CB-CG2 4.25Å; R151-T183 HydrophobicContact CG-CG2 4.36Å
184	F	94.9	Very high	97	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	163	175	70.1	-89.1	0	0	0	111.9	L144 I150 M152 L168 L170 L211	L144-F184 HydrophobicContact CD1-CE2 4.41Å; L144-F184 HydrophobicContact CD1-CZ 3.74Å; I150-F184 HydrophobicContact CB-CE1 4.28Å; I150-F184 HydrophobicContact CB-CZ 4.27Å; I150-F184 HydrophobicContact CD1-CE2 4.04Å; I150-F184 HydrophobicContact CD1-CZ 4.12Å; I150-F184 HydrophobicContact CG2-CE1 4.14Å; I150-F184 HydrophobicContact CG2-CZ 4.26Å; I150-F184 PolarHBondContact N-O 2.8Å; I150-F184 PolarHBondContact O-N 2.87Å; M152-F184 HydrophobicContact CG-CD1 4.22Å; M152-F184 HydrophobicContact CG-CE1 3.55Å; M152-F184 HydrophobicContact SD-CE1 4.33Å; L168-F184 HydrophobicContact CD1-CD2 3.89Å; L168-F184 HydrophobicContact CD1-CE2 3.66Å; L168-F184 HydrophobicContact CD1-CZ 4.1Å; L168-F184 HydrophobicContact CD2-CD2 4.1Å; L168-F184 HydrophobicContact CD2-CE2 4.41Å; L170-F184 HydrophobicContact CD1-CB 3.85Å; L170-F184 HydrophobicContact CD1-CD1 3.29Å; L170-F184 HydrophobicContact CD1-CD2 4.24Å; L170-F184 HydrophobicContact CD1-CE1 3.74Å; L170-F184 HydrophobicContact CD1-CG 3.55Å; L170-F184 HydrophobicContact CD1-CZ 4.39Å; L170-F184 HydrophobicContact CD2-CB 3.96Å; L170-F184 HydrophobicContact CD2-CD1 4.47Å; L170-F184 HydrophobicContact CG-CB 4.37Å; L170-F184 HydrophobicContact CG-CD1 4.48Å; F184-L211 HydrophobicContact CZ-CD1 4.27Å
185	T	95.3	Very high	97	Very high	42 Å²	42	50.5 Å²	50.5	26%	0.258	29%	0.285	S	S	.	.			trans	-132.4	124.6	169.2	-56	0	0	0	0	107.5	S14 P15 P149	S14-T185 WeakPolarHBondContact CA-O 3.41Å; S14-T185 VanDerWaalsContact CB-O 3.3Å; S14-T185 WeakPolarHBondContact CB-O 3.43Å; P15-T185 WeakPolarHBondContact CD-O 3.34Å; P149-T185 WeakPolarHBondContact CA-OG1 3.37Å
186	A	96	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.276	C	S	.	.			trans	-90.7	136.4	173.4	0	0	0	0	0	110.5	T13 E147 L168 L213	T13-A186 WeakPolarHBondContact O-CA 3.47Å; E147-A186 PolarHBondContact N-O 2.82Å; L168-A186 HydrophobicContact CD2-CB 3.93Å; A186-L213 HydrophobicContact CB-CD1 3.17Å; A186-L213 HydrophobicContact CB-CD2 3.86Å; A186-L213 HydrophobicContact CB-CG 4.13Å
187	T	95.6	Very high	97	Very high	50 Å²	50	48.3 Å²	48.3	31%	0.307	27%	0.274	S	S	.	.			trans	-97.9	-11.4	-173.9	54.9	0	0	0	0	113.4	T13 P15	T13-T187 PolarHBondContact O-N 3.02Å; T13-T187 VanDerWaalsContact O-N 3.08Å; T13-T187 PolarHBondContact O-OG1 3.38Å; P15-T187 HydrophobicContact CG-CG2 3.97Å
188	R	95.7	Very high	97.1	Very high	97 Å²	97	47 Å²	47	37%	0.366	25%	0.245	S	C	.	.	S	Bend	trans	-138.6	143.8	-174.3	-59.2	-171	-57.4	-81.4	6.9	111	A12 I146 Y192	A12-R188 VanDerWaalsContact O-CZ 3.28Å; A12-R188 PolarHBondContact O-NH1 2.79Å; A12-R188 PolarHBondContact O-NH2 3.25Å; I146-R188 WeakPolarHBondContact CG2-O 3.19Å; R188-Y192 PolarHBondContact O-OH 3.11Å; R188-Y192 VanDerWaalsContact O-OH 3.06Å
189	P	97.4	Very high	97.1	Very high	80 Å²	80	46.2 Å²	46.2	52%	0.519	25%	0.25	S	S	.	.			trans	-72.8	153.9	173.4	31.3	-34.4	0	0	0	110.6	I146 Y192 L213	I146-P189 HydrophobicContact CD1-CB 4.38Å; I146-P189 HydrophobicContact CD1-CG 4.49Å; I146-P189 HydrophobicContact CG2-CB 4.36Å; P189-Y192 PolarHBondContact O-OH 3.15Å; P189-L213 CarbonylContact C-O 3.52Å; P189-L213 WeakPolarHBondContact CA-O 3.24Å; P189-L213 WeakPolarHBondContact CB-O 3.4Å
190	G	97.1	Very high	97.1	Very high	30 Å²	30	42.3 Å²	42.3	31%	0.309	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	150	-175.8	177.1	0	0	0	0	0	113.5	L213	G190-L213 PolarHBondContact N-O 3.46Å; G190-L213 PolarHBondContact O-N 3.39Å
191	V	98	Very high	97.1	Very high	48 Å²	48	43.1 Å²	43.1	29%	0.291	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.3	177.6	-174.3	0	0	0	0	109.3	Y193 V210 L211 E212	V191-Y193 HydrophobicContact CB-CE2 4.2Å; V191-Y193 HydrophobicContact CG1-CD2 4.39Å; V191-Y193 HydrophobicContact CG1-CE1 4.36Å; V191-Y193 HydrophobicContact CG1-CE2 3.63Å; V191-V210 HydrophobicContact CG1-CG1 3.35Å; V191-L211 CarbonylContact C-O 3.52Å; V191-L211 VanDerWaalsContact CA-O 3.31Å; V191-L211 WeakPolarHBondContact CA-O 3.48Å; V191-E212 HydrophobicContact CG2-CG 4.38Å
192	Y	98.3	Very high	97.2	Very high	21 Å²	21	43.3 Å²	43.3	8%	0.082	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.3	-174.9	-57.1	-75	0	0	0	110.6	T13 T167 R188 P189 V210 L211 L213	T13-Y192 HydrophobicContact CG2-CD1 3.74Å; T13-Y192 HydrophobicContact CG2-CE1 3.08Å; T167-Y192 HydrophobicContact CG2-CD1 4.38Å; R188-Y192 PolarHBondContact O-OH 3.11Å; R188-Y192 VanDerWaalsContact O-OH 3.06Å; P189-Y192 PolarHBondContact O-OH 3.15Å; Y192-V210 WeakPolarHBondContact O-CA 3.46Å; Y192-L211 PolarHBondContact N-O 3.21Å; Y192-L211 PolarHBondContact O-N 3.31Å; Y192-L213 HydrophobicContact CD2-CB 4.27Å; Y192-L213 HydrophobicContact CD2-CD1 3.41Å; Y192-L213 VanDerWaalsContact CD2-CD1 3.41Å; Y192-L213 HydrophobicContact CD2-CG 4.14Å; Y192-L213 HydrophobicContact CE2-CB 3.92Å; Y192-L213 HydrophobicContact CE2-CD1 3.38Å; Y192-L213 HydrophobicContact CE2-CG 4.14Å
193	Y	98.7	Very high	97.4	Very high	27 Å²	27	45.5 Å²	45.5	11%	0.106	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.7	-168.7	-65.3	-93.2	0	0	0	110.9	M1 L133 L136 D137 V191 I209 V210	M1-Y193 HydrophobicContact CB-CD2 3.94Å; M1-Y193 HydrophobicContact CB-CG 4.46Å; L133-Y193 HydrophobicContact CD1-CD1 4.36Å; L133-Y193 HydrophobicContact CD1-CD2 4.3Å; L133-Y193 HydrophobicContact CD1-CE1 3.84Å; L133-Y193 HydrophobicContact CD1-CE2 3.77Å; L136-Y193 HydrophobicContact CB-CD1 3.76Å; L136-Y193 HydrophobicContact CB-CE1 4.16Å; D137-Y193 WeakPolarHBondContact OD1-CE1 3.19Å; D137-Y193 PolarHBondContact OD1-OH 3.45Å; V191-Y193 HydrophobicContact CB-CE2 4.2Å; V191-Y193 HydrophobicContact CG1-CD2 4.39Å; V191-Y193 HydrophobicContact CG1-CE1 4.36Å; V191-Y193 HydrophobicContact CG1-CE2 3.63Å; Y193-I209 CarbonylContact C-O 3.49Å; Y193-I209 WeakPolarHBondContact CA-O 3.48Å; Y193-V210 HydrophobicContact CD1-CB 4.48Å; Y193-V210 HydrophobicContact CD1-CG1 4.2Å; Y193-V210 HydrophobicContact CD1-CG2 3.64Å; Y193-V210 HydrophobicContact CE1-CG1 3.94Å; Y193-V210 HydrophobicContact CE1-CG2 3.75Å
194	G	98.6	Very high	97.5	Very high	4 Å²	4	46.7 Å²	46.7	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	169.7	179	0	0	0	0	0	111.3	A164 P208 I209	A164-G194 WeakPolarHBondContact O-CA 3.35Å; G194-P208 WeakPolarHBondContact O-CA 3.12Å; G194-I209 PolarHBondContact N-O 3.43Å; G194-I209 PolarHBondContact O-N 3.44Å
195	Q	98.7	Very high	97.7	Very high	84 Å²	84	49.4 Å²	49.4	39%	0.393	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.4	175.5	-66.9	-170.7	-89.5	0	0	110.2	L136 A164 S197 P208	L136-Q195 HydrophobicContact CD2-CG 3.81Å; A164-Q195 PolarHBondContact O-N 3.01Å; Q195-S197 PolarHBondContact O-N 2.59Å; Q195-S197 PolarHBondContact O-OG 3.36Å; Q195-P208 HydrophobicContact CG-CB 4.45Å
196	C	98.6	Very high	97.8	Very high	10 Å²	10	51 Å²	51	7%	0.068	30%	0.297	C	S	.	.			trans	-56.9	127.8	171.3	-176	0	0	0	0	110.2	W106 S162 E198 H204 M207	W106-C196 HydrophobicContact CZ2-CB 4.34Å; S162-C196 WeakPolarHBondContact O-CA 3.24Å; C196-E198 PolarHBondContact SG-O 2.89Å; C196-E198 VanDerWaalsContact SG-O 3.33Å; C196-H204 PolarHBondContact O-CE1 3.22Å; C196-H204 VanDerWaalsContact O-CE1 3.29Å; C196-M207 HydrophobicContact CB-CE 4.19Å; C196-M207 HydrophobicContact CB-CG 3.63Å; C196-M207 HydrophobicContact CB-SD 3.97Å
197	S	98.5	Very high	98	Very high	43 Å²	43	51.1 Å²	51.1	30%	0.301	30%	0.298	S	S	.	.			trans	-113.9	22.5	-172.4	-66	0	0	0	0	113.9	S162 A164 K171 Q195	S162-S197 PolarHBondContact O-N 2.93Å; A164-S197 VanDerWaalsContact CB-OG 3.24Å; A164-S197 WeakPolarHBondContact CB-OG 3.31Å; K171-S197 PolarHBondContact NZ-O 2.89Å; Q195-S197 PolarHBondContact O-N 2.59Å; Q195-S197 PolarHBondContact O-OG 3.36Å
198	E	98.6	Very high	98.1	Very high	62 Å²	62	48.8 Å²	48.8	29%	0.29	28%	0.284	S	S	.	.	S	Bend	trans	-143.5	137.1	175.7	-175.7	55	-135.8	0	0	110.4	L160 C196 C200 H204	L160-E198 HydrophobicContact CB-CG 3.78Å; C196-E198 PolarHBondContact SG-O 2.89Å; C196-E198 VanDerWaalsContact SG-O 3.33Å; E198-C200 PolarHBondContact O-N 3.18Å; E198-C200 VanDerWaalsContact O-N 3.17Å; E198-H204 PolarHBondContact O-CE1 3.5Å; E198-H204 PolarHBondContact O-ND1 2.76Å
199	I	98.2	Very high	98.3	Very high	132 Å²	132	44.1 Å²	44.1	68%	0.677	27%	0.266	S	S	*	.			trans	-65.9	115.2	-171.8	-173.7	170.8	0	0	0	111.6
200	C	97.9	Very high	98.3	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.027	24%	0.241	C	C	.	.			trans	-124.4	14.9	-172.6	66.1	0	0	0	0	115	Q103 W104 V159 L160 H161 E198 H204 M207	Q103-C200 PolarHBondContact NE2-O 2.88Å; W104-C200 PolarHBondContact NE1-O 3.45Å; V159-C200 HydrophobicContact CG2-CB 3.84Å; L160-C200 VanDerWaalsContact O-CB 3.3Å; L160-C200 WeakPolarHBondContact O-CB 3.47Å; H161-C200 VanDerWaalsContact CE1-CB 3.4Å; H161-C200 WeakPolarHBondContact CE1-CB 3.2Å; H161-C200 WeakPolarHBondContact ND1-CB 3.35Å; H161-C200 PolarHBondContact ND1-SG 3.26Å; H161-C200 VanDerWaalsContact ND1-SG 3.41Å; E198-C200 PolarHBondContact O-N 3.18Å; E198-C200 VanDerWaalsContact O-N 3.17Å; C200-H204 VanDerWaalsContact SG-CA 3.56Å; C200-M207 PolarHBondContact SG-SD 2.95Å
201	G	98.1	Very high	98.4	Very high	40 Å²	40	38.9 Å²	38.9	41%	0.412	23%	0.227	S	C	.	.	S	Bend	trans	112.5	-155.2	173.8	0	0	0	0	0	114.6	N203 H204	G201-N203 VanDerWaalsContact C-N 3.34Å; G201-N203 PolarHBondContact O-N 2.91Å; G201-H204 VanDerWaalsContact O-CB 3.29Å; G201-H204 WeakPolarHBondContact O-CB 3.38Å; G201-H204 PolarHBondContact O-N 3Å; G201-H204 VanDerWaalsContact O-N 3.11Å
202	A	97.8	Very high	98.4	Very high	82 Å²	82	39.7 Å²	39.7	68%	0.678	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-40.9	-165.5	0	0	0	0	0	114.5	W104	W104-A202 HydrophobicContact CH2-CB 3.92Å; W104-A202 HydrophobicContact CZ2-CB 3.73Å
203	N	98	Very high	98.3	Very high	65 Å²	65	38.8 Å²	38.8	35%	0.348	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	30.5	-179.3	-64.1	-28.4	0	0	0	112.6	W104 G201 S205 F206	W104-N203 HydrophobicContact CB-CB 3.73Å; W104-N203 HydrophobicContact CD2-CB 3.5Å; W104-N203 HydrophobicContact CE3-CB 3.84Å; W104-N203 HydrophobicContact CG-CB 3.45Å; W104-N203 VanDerWaalsContact CG-CB 3.45Å; G201-N203 VanDerWaalsContact C-N 3.34Å; G201-N203 PolarHBondContact O-N 2.91Å; N203-S205 PolarHBondContact O-N 3.28Å; N203-S205 VanDerWaalsContact O-N 3.16Å; N203-F206 HydrophobicContact CB-CB 4.15Å; N203-F206 HydrophobicContact CB-CD2 3.8Å; N203-F206 HydrophobicContact CB-CG 4.48Å; N203-F206 PolarHBondContact O-N 2.89Å
204	H	98.4	Very high	98.2	Very high	49 Å²	49	38.6 Å²	38.6	23%	0.227	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-49.8	-40.7	176.7	169	50.4	0	0	0	113.1	C196 E198 C200 G201 F206	C196-H204 PolarHBondContact O-CE1 3.22Å; C196-H204 VanDerWaalsContact O-CE1 3.29Å; E198-H204 PolarHBondContact O-CE1 3.5Å; E198-H204 PolarHBondContact O-ND1 2.76Å; C200-H204 VanDerWaalsContact SG-CA 3.56Å; G201-H204 VanDerWaalsContact O-CB 3.29Å; G201-H204 WeakPolarHBondContact O-CB 3.38Å; G201-H204 PolarHBondContact O-N 3Å; G201-H204 VanDerWaalsContact O-N 3.11Å; H204-F206 PolarHBondContact O-N 2.77Å
205	S	98.1	Very high	98	Very high	68 Å²	68	41 Å²	41	48%	0.476	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-75.1	-3	179.1	-50	0	0	0	0	114.9	N203	N203-S205 PolarHBondContact O-N 3.28Å; N203-S205 VanDerWaalsContact O-N 3.16Å
206	F	98.5	Very high	97.6	Very high	75 Å²	75	40.5 Å²	40.5	33%	0.329	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-123.7	28.7	-166.9	-52.4	-53.8	0	0	0	113.5	M122 L135 N203 H204	M122-F206 WeakPolarHBondContact CB-O 3.41Å; M122-F206 HydrophobicContact CE-CB 3.7Å; M122-F206 HydrophobicContact CE-CD1 3.88Å; M122-F206 HydrophobicContact CE-CG 4.04Å; M122-F206 HydrophobicContact SD-CB 3.71Å; M122-F206 HydrophobicContact SD-CD1 3.86Å; M122-F206 HydrophobicContact SD-CG 4.24Å; L135-F206 HydrophobicContact CD1-CD1 4.47Å; L135-F206 HydrophobicContact CD1-CE1 4.1Å; L135-F206 HydrophobicContact CD2-CD1 3.82Å; L135-F206 HydrophobicContact CD2-CE1 3.78Å; N203-F206 HydrophobicContact CB-CB 4.15Å; N203-F206 HydrophobicContact CB-CD2 3.8Å; N203-F206 HydrophobicContact CB-CG 4.48Å; N203-F206 PolarHBondContact O-N 2.89Å; H204-F206 PolarHBondContact O-N 2.77Å
207	M	98.5	Very high	97.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	27%	0.269	C	S	.	.			trans	-129.3	69	174.1	54.3	179.2	-64.2	0	0	111.1	H102 W104 W106 H161 C196 C200	H102-M207 WeakPolarHBondContact O-CE 3.29Å; W104-M207 HydrophobicContact CB-CB 4.34Å; W104-M207 HydrophobicContact CB-SD 4.17Å; W106-M207 HydrophobicContact CD2-CE 4.18Å; W106-M207 HydrophobicContact CG-CE 4.45Å; W106-M207 HydrophobicContact CZ2-CE 3.84Å; W106-M207 PolarHBondContact NE1-O 3.14Å; H161-M207 WeakPolarHBondContact ND1-CE 3.27Å; H161-M207 PolarHBondContact ND1-SD 3.24Å; C196-M207 HydrophobicContact CB-CE 4.19Å; C196-M207 HydrophobicContact CB-CG 3.63Å; C196-M207 HydrophobicContact CB-SD 3.97Å; C200-M207 PolarHBondContact SG-SD 2.95Å
208	P	98.6	Very high	96.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	169.4	-178.8	33.3	-34.5	0	0	0	111.8	M122 L135 L136 V138 G194 Q195	M122-P208 HydrophobicContact CB-CG 3.99Å; M122-P208 HydrophobicContact CG-CG 3.96Å; L135-P208 WeakPolarHBondContact O-CG 3.3Å; L136-P208 WeakPolarHBondContact O-CB 3.49Å; L136-P208 WeakPolarHBondContact O-CG 3.5Å; V138-P208 HydrophobicContact CG1-CG 3.7Å; G194-P208 WeakPolarHBondContact O-CA 3.12Å; Q195-P208 HydrophobicContact CG-CB 4.45Å
209	I	98.9	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.4	178.2	-65	154.9	0	0	0	106.7	W106 W163 V165 Y193 G194 L211	W106-I209 HydrophobicContact CG-CG1 4.41Å; W106-I209 HydrophobicContact CZ2-CD1 4.16Å; W163-I209 HydrophobicContact CB-CD1 4.32Å; W163-I209 HydrophobicContact CD2-CD1 4.22Å; W163-I209 HydrophobicContact CG-CD1 3.74Å; W163-I209 HydrophobicContact CZ2-CG2 3.85Å; V165-I209 HydrophobicContact CG2-CG2 3.78Å; Y193-I209 CarbonylContact C-O 3.49Å; Y193-I209 WeakPolarHBondContact CA-O 3.48Å; G194-I209 PolarHBondContact N-O 3.43Å; G194-I209 PolarHBondContact O-N 3.44Å; I209-L211 HydrophobicContact CG2-CD2 4.48Å
210	V	98.7	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.3	175.4	-172.2	0	0	0	0	109.5	L136 V138 R141 V142 V191 Y192 Y193	L136-V210 WeakPolarHBondContact O-CG2 3.13Å; V138-V210 HydrophobicContact CB-CG2 4.33Å; V138-V210 HydrophobicContact CG1-CG2 3.92Å; V138-V210 HydrophobicContact CG2-CB 3.7Å; V138-V210 HydrophobicContact CG2-CG2 3.63Å; R141-V210 HydrophobicContact CB-CG1 4.36Å; R141-V210 HydrophobicContact CG-CB 4.03Å; R141-V210 HydrophobicContact CG-CG1 3.71Å; V142-V210 PolarHBondContact N-O 2.74Å; V191-V210 HydrophobicContact CG1-CG1 3.35Å; Y192-V210 WeakPolarHBondContact O-CA 3.46Å; Y193-V210 HydrophobicContact CD1-CB 4.48Å; Y193-V210 HydrophobicContact CD1-CG1 4.2Å; Y193-V210 HydrophobicContact CD1-CG2 3.64Å; Y193-V210 HydrophobicContact CE1-CG1 3.94Å; Y193-V210 HydrophobicContact CE1-CG2 3.75Å
211	L	98.3	Very high	95	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132	172.5	-57.6	-175.5	0	0	0	109.3	V142 L144 W163 V165 L168 F184 V191 Y192 I209	V142-L211 HydrophobicContact CB-CD2 3.6Å; V142-L211 HydrophobicContact CG1-CD2 3.88Å; V142-L211 HydrophobicContact CG2-CD2 4.18Å; V142-L211 CarbonylContact O-C 3.48Å; V142-L211 WeakPolarHBondContact O-CA 3.41Å; L144-L211 HydrophobicContact CD1-CD1 4.19Å; L144-L211 HydrophobicContact CD1-CD2 3.82Å; L144-L211 HydrophobicContact CD1-CG 4.44Å; W163-L211 HydrophobicContact CH2-CD1 4.09Å; W163-L211 HydrophobicContact CH2-CD2 4.31Å; W163-L211 HydrophobicContact CZ2-CD1 4.43Å; W163-L211 HydrophobicContact CZ2-CD2 3.88Å; W163-L211 HydrophobicContact CZ2-CG 4.49Å; V165-L211 HydrophobicContact CB-CD1 4.46Å; V165-L211 HydrophobicContact CG1-CD1 4.11Å; V165-L211 HydrophobicContact CG2-CD1 4.01Å; V165-L211 HydrophobicContact CG2-CG 4.27Å; L168-L211 HydrophobicContact CD1-CD1 3.42Å; L168-L211 VanDerWaalsContact CD1-CD1 3.42Å; F184-L211 HydrophobicContact CZ-CD1 4.27Å; V191-L211 CarbonylContact C-O 3.52Å; V191-L211 VanDerWaalsContact CA-O 3.31Å; V191-L211 WeakPolarHBondContact CA-O 3.48Å; Y192-L211 PolarHBondContact N-O 3.21Å; Y192-L211 PolarHBondContact O-N 3.31Å; I209-L211 HydrophobicContact CG2-CD2 4.48Å
212	E	97.8	Very high	93.6	Very high	65 Å²	65	52.1 Å²	52.1	30%	0.304	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.1	170.1	-178.2	169.4	164.8	0	0	109.1	R141 V142 V143 L144 V191 I214	R141-E212 HydrophobicContact CB-CB 4.27Å; R141-E212 IonicContact NH1-OE2 3.59Å; V142-E212 PolarHBondContact O-N 2.92Å; V143-E212 CarbonylContact C-O 3.57Å; V143-E212 VanDerWaalsContact CA-O 3.29Å; V143-E212 WeakPolarHBondContact CA-O 3.2Å; V143-E212 HydrophobicContact CG2-CB 4.32Å; L144-E212 PolarHBondContact N-O 3.31Å; V191-E212 HydrophobicContact CG2-CG 4.38Å; E212-I214 HydrophobicContact CG-CG2 4.15Å
213	L	97.1	Very high	91.7	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.1	-175.4	-79.6	166.8	0	0	0	110.5	L144 I146 A186 P189 G190 Y192	L144-L213 HydrophobicContact CB-CD2 3.44Å; L144-L213 VanDerWaalsContact CB-CD2 3.44Å; L144-L213 HydrophobicContact CB-CG 4.34Å; L144-L213 HydrophobicContact CD1-CD2 4.44Å; L144-L213 WeakPolarHBondContact O-CA 3.35Å; I146-L213 HydrophobicContact CG2-CB 3.77Å; I146-L213 HydrophobicContact CG2-CD2 4.36Å; A186-L213 HydrophobicContact CB-CD1 3.17Å; A186-L213 HydrophobicContact CB-CD2 3.86Å; A186-L213 HydrophobicContact CB-CG 4.13Å; P189-L213 CarbonylContact C-O 3.52Å; P189-L213 WeakPolarHBondContact CA-O 3.24Å; P189-L213 WeakPolarHBondContact CB-O 3.4Å; G190-L213 PolarHBondContact N-O 3.46Å; G190-L213 PolarHBondContact O-N 3.39Å; Y192-L213 HydrophobicContact CD2-CB 4.27Å; Y192-L213 HydrophobicContact CD2-CD1 3.41Å; Y192-L213 VanDerWaalsContact CD2-CD1 3.41Å; Y192-L213 HydrophobicContact CD2-CG 4.14Å; Y192-L213 HydrophobicContact CE2-CB 3.92Å; Y192-L213 HydrophobicContact CE2-CD1 3.38Å; Y192-L213 HydrophobicContact CE2-CG 4.14Å
214	I	96.2	Very high	89.8	Confident	23 Å²	23	47.7 Å²	47.7	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	159.1	-174	58.5	170.3	0	0	0	111.6	V143 L144 P145 I146 E212 L216 I218 F219 P223	V143-I214 HydrophobicContact CG1-CD1 3.47Å; V143-I214 VanDerWaalsContact CG1-CD1 3.47Å; V143-I214 HydrophobicContact CG1-CG1 3.86Å; L144-I214 PolarHBondContact O-N 2.92Å; P145-I214 CarbonylContact C-O 3.53Å; P145-I214 VanDerWaalsContact CA-O 3.29Å; P145-I214 WeakPolarHBondContact CA-O 3.25Å; I146-I214 PolarHBondContact N-O 3.41Å; E212-I214 HydrophobicContact CG-CG2 4.15Å; I214-L216 PolarHBondContact O-N 2.95Å; I214-I218 HydrophobicContact CD1-CB 4.31Å; I214-I218 HydrophobicContact CD1-CG2 4.01Å; I214-F219 HydrophobicContact CD1-CB 3.95Å; I214-F219 HydrophobicContact CD1-CD2 4.48Å; I214-F219 HydrophobicContact CG1-CB 4.1Å; I214-P223 HydrophobicContact CD1-CG 4.09Å
215	P	95.4	Very high	87.6	Confident	54 Å²	54	50.1 Å²	50.1	35%	0.351	26%	0.255	S	S	.	.			trans	-54.5	137.6	172.3	-26.9	35.2	0	0	0	112.8	I146 K217 I218 F219	I146-P215 HydrophobicContact CD1-CG 4.48Å; P215-K217 VanDerWaalsContact C-N 3.25Å; P215-K217 PolarHBondContact O-N 3.17Å; P215-K217 VanDerWaalsContact O-N 3.14Å; P215-I218 HydrophobicContact CB-CD1 4.37Å; P215-I218 HydrophobicContact CB-CG1 4.34Å; P215-I218 HydrophobicContact CG-CD1 4.14Å; P215-I218 WeakPolarHBondContact O-CB 3.39Å; P215-I218 PolarHBondContact O-N 3.47Å; P215-F219 PolarHBondContact O-N 3.25Å; P215-F219 VanDerWaalsContact O-N 3.08Å
216	L	90.1	Very high	85.2	Confident	74 Å²	74	52.6 Å²	52.6	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-50.6	-42.5	-178.1	179.2	63.1	0	0	0	113.1	P145 I214 I218 F219 E220	P145-L216 HydrophobicContact CB-CB 4.24Å; P145-L216 HydrophobicContact CB-CD1 3.7Å; P145-L216 HydrophobicContact CG-CD1 4.22Å; I214-L216 PolarHBondContact O-N 2.95Å; L216-I218 PolarHBondContact O-N 2.99Å; L216-F219 HydrophobicContact CD1-CD1 4.36Å; L216-F219 WeakPolarHBondContact O-CB 3.36Å; L216-F219 PolarHBondContact O-N 2.89Å; L216-F219 VanDerWaalsContact O-N 3.15Å; L216-E220 HydrophobicContact CD1-CG 4.17Å; L216-E220 HydrophobicContact CG-CG 4.41Å; L216-E220 WeakPolarHBondContact O-CG 3.28Å; L216-E220 PolarHBondContact O-N 3.16Å
217	K	89.8	Confident	82.7	Confident	163 Å²	163	56.1 Å²	56.1	71%	0.709	29%	0.289	S	S	*	.	H	α-helix	trans	-58	-36.1	177.6	-68.4	-176.6	179.6	178.3	0	113.2	P215 M221	P215-K217 VanDerWaalsContact C-N 3.25Å; P215-K217 PolarHBondContact O-N 3.17Å; P215-K217 VanDerWaalsContact O-N 3.14Å; K217-M221 VanDerWaalsContact O-CG 3.26Å; K217-M221 WeakPolarHBondContact O-CG 3.35Å; K217-M221 PolarHBondContact O-N 2.75Å
218	I	90.6	Very high	81.9	Confident	84 Å²	84	58.9 Å²	58.9	43%	0.431	30%	0.303	S	S	.	.	H	α-helix	trans	-77.4	-41.2	179	-58.7	-178.8	0	0	0	109.4	I214 P215 L216 E220 M221 P223	I214-I218 HydrophobicContact CD1-CB 4.31Å; I214-I218 HydrophobicContact CD1-CG2 4.01Å; P215-I218 HydrophobicContact CB-CD1 4.37Å; P215-I218 HydrophobicContact CB-CG1 4.34Å; P215-I218 HydrophobicContact CG-CD1 4.14Å; P215-I218 WeakPolarHBondContact O-CB 3.39Å; P215-I218 PolarHBondContact O-N 3.47Å; L216-I218 PolarHBondContact O-N 2.99Å; I218-E220 VanDerWaalsContact C-N 3.3Å; I218-E220 PolarHBondContact O-N 3.11Å; I218-M221 WeakPolarHBondContact O-CB 3.47Å; I218-M221 PolarHBondContact O-N 2.96Å; I218-M221 VanDerWaalsContact O-N 3.12Å; I218-P223 HydrophobicContact CG2-CG 4.23Å; I218-P223 WeakPolarHBondContact O-CD 3.47Å; I218-P223 WeakPolarHBondContact O-CG 3.08Å
219	F	89.3	Confident	81	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-54.9	-45.9	174.5	179	-97.4	0	0	0	111.9	L95 Y110 Y113 V143 P145 I214 P215 L216 M221 G222 V224	L95-F219 HydrophobicContact CD2-CE1 4.22Å; L95-F219 HydrophobicContact CD2-CZ 3.78Å; Y110-F219 HydrophobicContact CE1-CE2 4.37Å; Y110-F219 HydrophobicContact CE1-CZ 4.4Å; Y113-F219 HydrophobicContact CE2-CE1 4.02Å; Y113-F219 HydrophobicContact CE2-CZ 4.47Å; Y113-F219 AromaticContact CZ-CE1 3.97Å; V143-F219 HydrophobicContact CG1-CD2 4.31Å; V143-F219 WeakPolarHBondContact O-CE2 3.29Å; P145-F219 HydrophobicContact CB-CB 4.25Å; P145-F219 HydrophobicContact CB-CD1 4.29Å; P145-F219 HydrophobicContact CB-CG 4.18Å; P145-F219 HydrophobicContact CG-CD1 4.2Å; P145-F219 HydrophobicContact CG-CE1 4.36Å; P145-F219 HydrophobicContact CG-CG 4.36Å; I214-F219 HydrophobicContact CD1-CB 3.95Å; I214-F219 HydrophobicContact CD1-CD2 4.48Å; I214-F219 HydrophobicContact CG1-CB 4.1Å; P215-F219 PolarHBondContact O-N 3.25Å; P215-F219 VanDerWaalsContact O-N 3.08Å; L216-F219 HydrophobicContact CD1-CD1 4.36Å; L216-F219 WeakPolarHBondContact O-CB 3.36Å; L216-F219 PolarHBondContact O-N 2.89Å; L216-F219 VanDerWaalsContact O-N 3.15Å; F219-M221 VanDerWaalsContact C-N 3.29Å; F219-M221 PolarHBondContact O-N 3.07Å; F219-G222 PolarHBondContact O-N 2.69Å; F219-V224 HydrophobicContact CD2-CG2 3.7Å; F219-V224 HydrophobicContact CE2-CG2 3.65Å
220	E	83.8	Confident	80	Confident	117 Å²	117	65.3 Å²	65.3	55%	0.547	34%	0.336	S	S	.	.	H	α-helix	trans	-67.6	-23.4	178.3	-69.9	176.4	163.2	0	0	114.1	L216 I218 G222	L216-E220 HydrophobicContact CD1-CG 4.17Å; L216-E220 HydrophobicContact CG-CG 4.41Å; L216-E220 WeakPolarHBondContact O-CG 3.28Å; L216-E220 PolarHBondContact O-N 3.16Å; I218-E220 VanDerWaalsContact C-N 3.3Å; I218-E220 PolarHBondContact O-N 3.11Å; E220-G222 PolarHBondContact O-N 2.9Å
221	M	82.6	Confident	78.9	Confident	157 Å²	157	69.2 Å²	69.2	77%	0.773	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.8	175.3	-72	172.3	-171.1	0	0	113.1	K217 I218 F219	K217-M221 VanDerWaalsContact O-CG 3.26Å; K217-M221 WeakPolarHBondContact O-CG 3.35Å; K217-M221 PolarHBondContact O-N 2.75Å; I218-M221 WeakPolarHBondContact O-CB 3.47Å; I218-M221 PolarHBondContact O-N 2.96Å; I218-M221 VanDerWaalsContact O-N 3.12Å; F219-M221 VanDerWaalsContact C-N 3.29Å; F219-M221 PolarHBondContact O-N 3.07Å
222	G	68.9	Low	77.7	Confident	10 Å²	10	73.5 Å²	73.5	10%	0.103	38%	0.378	C	S	.	.			trans	84.7	27.1	169.7	0	0	0	0	0	118.8	F219 E220 V224 F225	F219-G222 PolarHBondContact O-N 2.69Å; E220-G222 PolarHBondContact O-N 2.9Å; G222-V224 PolarHBondContact O-N 3.05Å; G222-V224 VanDerWaalsContact O-N 3.09Å; G222-F225 VanDerWaalsContact CA-CD2 3.44Å; G222-F225 PolarHBondContact O-N 2.86Å
223	P	58	Low	76.3	Confident	51 Å²	51	74.1 Å²	74.1	33%	0.331	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-59.3	-20.3	170.1	26.6	-32.3	0	0	0	112.3	I214 I218 F225 T226	I214-P223 HydrophobicContact CD1-CG 4.09Å; I218-P223 HydrophobicContact CG2-CG 4.23Å; I218-P223 WeakPolarHBondContact O-CD 3.47Å; I218-P223 WeakPolarHBondContact O-CG 3.08Å; P223-F225 VanDerWaalsContact C-N 3.33Å; P223-T226 PolarHBondContact O-OG1 3.24Å
224	V	59.4	Low	74.9	Confident	3 Å²	3	79.2 Å²	79.2	2%	0.018	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-72.6	-23.3	174.8	-163.2	0	0	0	0	112.7	Y110 L116 V143 F219 G222	Y110-V224 HydrophobicContact CE1-CG1 4.19Å; L116-V224 HydrophobicContact CD2-CG1 3.69Å; L116-V224 VanDerWaalsContact CD2-O 3.31Å; L116-V224 WeakPolarHBondContact CD2-O 3.4Å; V143-V224 HydrophobicContact CB-CG1 4.49Å; V143-V224 HydrophobicContact CB-CG2 3.79Å; V143-V224 HydrophobicContact CG1-CG2 3.76Å; F219-V224 HydrophobicContact CD2-CG2 3.7Å; F219-V224 HydrophobicContact CE2-CG2 3.65Å; G222-V224 PolarHBondContact O-N 3.05Å; G222-V224 VanDerWaalsContact O-N 3.09Å
225	F	52.2	Low	73.2	Confident	100 Å²	100	83.5 Å²	83.5	44%	0.439	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-97.3	2.9	-177.7	-52.9	-65.8	0	0	0	113.7	Y113 L116 G222 P223	Y113-F225 HydrophobicContact CD1-CE2 4.47Å; Y113-F225 AromaticContact CD1-CZ 3.77Å; Y113-F225 HydrophobicContact CD1-CZ 3.77Å; Y113-F225 AromaticContact CG-CZ 3.95Å; Y113-F225 HydrophobicContact CG-CZ 3.95Å; L116-F225 HydrophobicContact CD2-CD1 4.41Å; G222-F225 VanDerWaalsContact CA-CD2 3.44Å; G222-F225 PolarHBondContact O-N 2.86Å; P223-F225 VanDerWaalsContact C-N 3.33Å
226	T	47.3	Very low	71.4	Confident	119 Å²	119	86 Å²	86	73%	0.73	44%	0.439	S	S	*	.			trans	-110.7	1	179.8	53	0	0	0	0	113.9	P223	P223-T226 PolarHBondContact O-OG1 3.24Å
227	L	44.6	Very low	69.7	Low	150 Å²	150	87.1 Å²	87.1	79%	0.785	44%	0.444	S	S	*	.			trans	-77.6	0	168.7	-74.4	165.7	0	0	0	110.5

Retrieved 227 of 227 residues in 288.6 ms (Link to these results)

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