G4LYE6_SCHMA Loading...

Proteasome subunit beta

Non-catalytic component of the proteasome.

AlphaFold DB , UniProt , Accession G4LYE6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 247 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	42.4	Very low	51.9	Low	245 Å²	245	155.5 Å²	155.5	100%	1.207	81%	0.808	S	S	*	*				0	84.5	0	-76.6	-179.2	-175.3	0	0	106.4	S3	M1-S3 PolarHBondContact O-N 3.24Å; M1-S3 VanDerWaalsContact O-N 3.15Å
2	D	54.1	Low	51.9	Low	169 Å²	169	149.8 Å²	149.8	90%	0.904	79%	0.791	S	S	*	*			trans	-72.3	109.4	173.4	-96.5	-21.5	0	0	0	107.3	L4	D2-L4 PolarHBondContact O-N 3.41Å; D2-L4 VanDerWaalsContact O-N 3.11Å
3	S	56.7	Low	51.6	Low	95 Å²	95	146.2 Å²	146.2	66%	0.664	78%	0.778	S	S	*	*			trans	-58.8	115.4	175.9	44	0	0	0	0	108.1	M1 Q5	M1-S3 PolarHBondContact O-N 3.24Å; M1-S3 VanDerWaalsContact O-N 3.15Å; S3-Q5 VanDerWaalsContact C-N 3.25Å; S3-Q5 PolarHBondContact O-N 3.4Å
4	L	52	Low	51.3	Low	167 Å²	167	146.9 Å²	146.9	87%	0.874	78%	0.782	S	S	*	*			trans	-54.2	92.2	168	-86.4	131.1	0	0	0	108.3	D2 V6	D2-L4 PolarHBondContact O-N 3.41Å; D2-L4 VanDerWaalsContact O-N 3.11Å; L4-V6 VanDerWaalsContact C-N 3.28Å; L4-V6 PolarHBondContact O-N 2.93Å
5	Q	54.7	Low	51.5	Low	161 Å²	161	141.8 Å²	141.8	75%	0.752	76%	0.759	S	S	*	*			trans	-69.1	95.1	168	-71	-166.6	2.1	0	0	106.8	S3 K7	S3-Q5 VanDerWaalsContact C-N 3.25Å; S3-Q5 PolarHBondContact O-N 3.4Å; Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 3.09Å
6	V	62.4	Low	51.7	Low	102 Å²	102	143.9 Å²	143.9	62%	0.618	76%	0.762	S	S	*	*			trans	-60.8	98	168	179.9	0	0	0	0	106.6	L4 F8	L4-V6 VanDerWaalsContact C-N 3.28Å; L4-V6 PolarHBondContact O-N 2.93Å; V6-F8 VanDerWaalsContact C-N 3.31Å; V6-F8 HydrophobicContact CG1-CD2 4.35Å; V6-F8 HydrophobicContact CG1-CE2 4.13Å; V6-F8 HydrophobicContact CG1-CZ 4.28Å; V6-F8 PolarHBondContact O-N 3.29Å
7	K	48.5	Very low	51.8	Low	188 Å²	188	137.9 Å²	137.9	82%	0.817	74%	0.743	S	S	*	*			trans	-68.8	95	169	-77.6	-177.2	178.1	175.4	0	106.9	Q5	Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 3.09Å
8	F	50.6	Low	52.2	Low	170 Å²	170	138.4 Å²	138.4	75%	0.746	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-56.3	132.7	164.6	-74.7	-83.2	0	0	0	108.1	V6 K10	V6-F8 VanDerWaalsContact C-N 3.31Å; V6-F8 HydrophobicContact CG1-CD2 4.35Å; V6-F8 HydrophobicContact CG1-CE2 4.13Å; V6-F8 HydrophobicContact CG1-CZ 4.28Å; V6-F8 PolarHBondContact O-N 3.29Å; F8-K10 PolarHBondContact O-N 3.45Å; F8-K10 VanDerWaalsContact O-N 3.07Å
9	P	55.2	Low	52.8	Low	119 Å²	119	139.9 Å²	139.9	77%	0.773	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-56.3	122.3	-179.9	20.3	-28.7	0	0	0	107.9	S11	P9-S11 PolarHBondContact O-N 2.89Å; P9-S11 VanDerWaalsContact O-N 3.11Å
10	K	46.6	Very low	53.5	Low	202 Å²	202	140 Å²	140	88%	0.878	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-51	123.6	170.1	-68.4	-178.6	176.6	-177	0	105.9	F8 S12	F8-K10 PolarHBondContact O-N 3.45Å; F8-K10 VanDerWaalsContact O-N 3.07Å; K10-S12 PolarHBondContact O-N 2.96Å
11	S	47.7	Very low	54.1	Low	93 Å²	93	141.7 Å²	141.7	65%	0.65	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-49.7	117.2	173.1	56.6	0	0	0	0	106.5	P9 T13	P9-S11 PolarHBondContact O-N 2.89Å; P9-S11 VanDerWaalsContact O-N 3.11Å; S11-T13 PolarHBondContact O-N 3.12Å
12	S	52.1	Low	55.2	Low	87 Å²	87	134.7 Å²	134.7	61%	0.608	70%	0.703	S	S	*	*			trans	-59.7	95.1	168.9	47.7	0	0	0	0	106.4	K10 D14 V15	K10-S12 PolarHBondContact O-N 2.96Å; S12-D14 PolarHBondContact O-N 2.9Å; S12-D14 VanDerWaalsContact O-N 3.16Å; S12-V15 WeakPolarHBondContact O-CG2 3.48Å; S12-V15 VanDerWaalsContact OG-CG2 3.24Å; S12-V15 WeakPolarHBondContact OG-CG2 3.4Å
13	T	47.7	Very low	55.8	Low	102 Å²	102	131 Å²	131	63%	0.626	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	7.4	177.8	37	0	0	0	0	112.7	S11	S11-T13 PolarHBondContact O-N 3.12Å
14	D	48	Very low	56.9	Low	156 Å²	156	133.7 Å²	133.7	83%	0.834	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	23.4	174.9	-63.4	-28.9	0	0	0	113.2	S12 H16	S12-D14 PolarHBondContact O-N 2.9Å; S12-D14 VanDerWaalsContact O-N 3.16Å; D14-H16 VanDerWaalsContact C-N 3.28Å
15	V	53.3	Low	58.4	Low	71 Å²	71	130 Å²	130	43%	0.43	68%	0.675	S	S	.	*			trans	-90.8	17.3	167.1	-123.5	0	0	0	0	112.5	S12 G17 Y19	S12-V15 WeakPolarHBondContact O-CG2 3.48Å; S12-V15 VanDerWaalsContact OG-CG2 3.24Å; S12-V15 WeakPolarHBondContact OG-CG2 3.4Å; V15-G17 PolarHBondContact O-N 3.04Å; V15-Y19 HydrophobicContact CG1-CE2 3.9Å; V15-Y19 VanDerWaalsContact O-CE2 3.24Å; V15-Y19 WeakPolarHBondContact O-CE2 3.3Å
16	H	55.1	Low	60.1	Low	175 Å²	175	124.4 Å²	124.4	81%	0.81	65%	0.653	S	S	*	*			trans	-88.8	40.3	168.8	-65.1	-62	0	0	0	112.1	D14 D18	D14-H16 VanDerWaalsContact C-N 3.28Å; H16-D18 PolarHBondContact O-N 2.85Å
17	G	54	Low	61.5	Low	43 Å²	43	123.6 Å²	123.6	44%	0.443	64%	0.644	S	S	.	*	S	Bend	trans	-59.6	132.1	149.2	0	0	0	0	0	106.5	V15 Y19	V15-G17 PolarHBondContact O-N 3.04Å; G17-Y19 WeakPolarHBondContact O-CD2 3.48Å; G17-Y19 PolarHBondContact O-N 3.15Å
18	D	58.8	Low	63.8	Low	146 Å²	146	115.8 Å²	115.8	78%	0.781	61%	0.613	S	S	*	*			trans	-64.5	84	175.4	-165.6	13	0	0	0	107.8	H16 K20	H16-D18 PolarHBondContact O-N 2.85Å; D18-K20 PolarHBondContact O-N 3.35Å
19	Y	62.9	Low	66	Low	168 Å²	168	109.6 Å²	109.6	66%	0.659	59%	0.589	S	S	*	*			trans	-72.6	34.7	177.2	-67.8	-81	0	0	0	110.8	V15 G17 Q21	V15-Y19 HydrophobicContact CG1-CE2 3.9Å; V15-Y19 VanDerWaalsContact O-CE2 3.24Å; V15-Y19 WeakPolarHBondContact O-CE2 3.3Å; G17-Y19 WeakPolarHBondContact O-CD2 3.48Å; G17-Y19 PolarHBondContact O-N 3.15Å; Y19-Q21 PolarHBondContact O-N 3.06Å
20	K	67.6	Low	67.9	Low	140 Å²	140	104.2 Å²	104.2	61%	0.609	56%	0.555	S	S	*	*			trans	-71.3	83.8	170.7	-170.1	176	-177.5	175.7	0	108.2	D18	D18-K20 PolarHBondContact O-N 3.35Å
21	Q	65.1	Low	70.3	Confident	176 Å²	176	95.7 Å²	95.7	82%	0.822	52%	0.52	S	S	*	.			trans	-76.4	123.4	166.6	-72.1	-172.4	-11.8	0	0	108.5	Y19	Y19-Q21 PolarHBondContact O-N 3.06Å
22	H	66.1	Low	72.6	Confident	99 Å²	99	91.4 Å²	91.4	46%	0.458	49%	0.49	S	S	.	.			trans	-76	139.4	169.5	-73.1	-77.5	0	0	0	109.3	M24	H22-M24 WeakPolarHBondContact O-CG 3.38Å; H22-M24 PolarHBondContact O-N 3.04Å
23	T	66.5	Low	74.8	Confident	92 Å²	92	87.3 Å²	87.3	56%	0.564	46%	0.461	S	S	*	.			trans	-54.2	113.3	170.5	-57.3	0	0	0	0	109.3	T25 I27	T23-T25 WeakPolarHBondContact CG2-O 3.33Å; T23-I27 HydrophobicContact CG2-CD1 4.13Å; T23-I27 HydrophobicContact CG2-CG1 4.16Å
24	M	79.4	Confident	77.3	Confident	151 Å²	151	82.4 Å²	82.4	74%	0.744	43%	0.431	S	S	*	.			trans	-85.4	-18.9	-177.3	-64.6	-56.8	-65	0	0	112.9	H22 W129	H22-M24 WeakPolarHBondContact O-CG 3.38Å; H22-M24 PolarHBondContact O-N 3.04Å; M24-W129 VanDerWaalsContact O-CZ2 3.26Å; M24-W129 WeakPolarHBondContact O-CZ2 3.39Å
25	T	83.9	Confident	79.7	Confident	90 Å²	90	75 Å²	75	55%	0.552	39%	0.391	S	S	*	.	S	Bend	trans	-147	145.7	-175.3	53.8	0	0	0	0	109.7	T23	T23-T25 WeakPolarHBondContact CG2-O 3.33Å
26	P	90.7	Very high	81.8	Confident	43 Å²	43	71.6 Å²	71.6	28%	0.279	37%	0.371	S	S	.	.			trans	-66.2	144.5	-178	32.8	-37	0	0	0	110.7	T29 D78 W129	P26-T29 HydrophobicContact CB-CG2 3.67Å; P26-T29 HydrophobicContact CG-CG2 4.01Å; P26-D78 WeakPolarHBondContact CA-OD1 3.46Å; P26-D78 HydrophobicContact CB-CB 3.67Å; P26-D78 WeakPolarHBondContact CB-OD1 3.17Å; P26-W129 HydrophobicContact CB-CB 3.91Å; P26-W129 HydrophobicContact CB-CD2 4.35Å; P26-W129 HydrophobicContact CB-CG 4.1Å; P26-W129 HydrophobicContact CG-CB 4.37Å; P26-W129 HydrophobicContact CG-CD2 4.05Å; P26-W129 HydrophobicContact CG-CE3 3.8Å; P26-W129 HydrophobicContact CG-CG 4.32Å; P26-W129 HydrophobicContact CG-CZ3 4.38Å
27	I	91.9	Very high	83.9	Confident	84 Å²	84	64.7 Å²	64.7	43%	0.431	34%	0.338	S	S	.	.	S	Bend	trans	-108	-54.4	-170.2	-62.8	178.2	0	0	0	111	T23 Y52 D78	T23-I27 HydrophobicContact CG2-CD1 4.13Å; T23-I27 HydrophobicContact CG2-CG1 4.16Å; I27-Y52 HydrophobicContact CG2-CD2 3.54Å; I27-Y52 HydrophobicContact CG2-CE2 3.24Å; I27-D78 PolarHBondContact N-OD1 3.1Å
28	C	95.9	Very high	86	Confident	25 Å²	25	62.8 Å²	62.8	17%	0.169	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.3	179.1	-75.5	0	0	0	0	107.3	V50 S51 D78 V79	C28-V50 HydrophobicContact CB-CG1 3.71Å; C28-S51 CarbonylContact C-O 3.57Å; C28-S51 WeakPolarHBondContact CA-O 3.22Å; C28-D78 WeakPolarHBondContact O-CA 3.44Å; C28-V79 HydrophobicContact CB-CB 4.37Å; C28-V79 WeakPolarHBondContact O-CG2 3.48Å; C28-V79 PolarHBondContact O-N 2.91Å
29	T	96.8	Very high	87.8	Confident	40 Å²	40	62 Å²	62	25%	0.245	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.2	-170.6	55.2	0	0	0	0	113.1	P26 S51 G77	P26-T29 HydrophobicContact CB-CG2 3.67Å; P26-T29 HydrophobicContact CG-CG2 4.01Å; T29-S51 PolarHBondContact N-O 3.14Å; T29-S51 PolarHBondContact O-N 3.14Å; T29-G77 CarbonylContact C-O 3.2Å; T29-G77 VanDerWaalsContact CA-O 3.26Å; T29-G77 WeakPolarHBondContact CA-O 3.28Å
30	G	96.7	Very high	89.4	Confident	6 Å²	6	57.4 Å²	57.4	6%	0.062	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	149.2	161.2	0	0	0	0	0	110.8	G77	G30-G77 PolarHBondContact N-O 2.92Å; G30-G77 PolarHBondContact O-N 3.2Å
31	T	95.3	Very high	90.9	Very high	23 Å²	23	50.8 Å²	50.8	14%	0.141	26%	0.262	C	S	.	.			trans	-91.5	-132.3	-177.2	59.4	0	0	0	0	111	R63 S76 R210	T31-R63 PolarHBondContact O-NH1 3.4Å; T31-S76 WeakPolarHBondContact O-CB 3.48Å; T31-R210 HydrophobicContact CG2-CB 3.3Å; T31-R210 HydrophobicContact CG2-CG 4.46Å; T31-R210 WeakPolarHBondContact CG2-O 3.26Å; T31-R210 PolarHBondContact OG1-O 3.12Å
32	S	97.8	Very high	92.5	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.021	22%	0.223	C	C	.	.			trans	-65.4	146.7	-170.7	-53.9	0	0	0	0	112	R63 T162 F164 G165	S32-R63 PolarHBondContact O-NH2 3.42Å; S32-T162 WeakPolarHBondContact CA-O 3.44Å; S32-T162 WeakPolarHBondContact CB-O 3.28Å; S32-T162 PolarHBondContact OG-O 2.9Å; S32-F164 PolarHBondContact OG-N 2.79Å; S32-G165 PolarHBondContact OG-N 2.88Å
33	V	98.2	Very high	94	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.8	168.2	-176.4	0	0	0	0	106.3	A45 A46 C74 C75 L133 A161 T162	V33-A45 WeakPolarHBondContact CA-O 3.44Å; V33-A45 WeakPolarHBondContact CG1-O 3.44Å; V33-A46 HydrophobicContact CG1-CB 4.2Å; V33-A46 HydrophobicContact CG2-CB 3.94Å; V33-C74 HydrophobicContact CG1-CB 3.7Å; V33-C74 WeakPolarHBondContact CG1-SG 3.3Å; V33-C75 WeakPolarHBondContact CG2-O 3.32Å; V33-L133 HydrophobicContact CB-CD1 4.18Å; V33-L133 HydrophobicContact CG1-CD1 3.8Å; V33-L133 HydrophobicContact CG1-CG 4.46Å; V33-A161 CarbonylContact O-C 3.45Å; V33-A161 WeakPolarHBondContact O-CA 3.4Å; V33-T162 PolarHBondContact N-OG1 3.34Å; V33-T162 PolarHBondContact O-N 2.81Å; V33-T162 PolarHBondContact O-OG1 3.1Å
34	I	98.5	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.3	-173.2	53.7	164.5	0	0	0	110.8	L44 A45 V160 A161 A169 L173 M197 A200 M201 L204	I34-L44 CarbonylContact O-C 3.55Å; I34-L44 WeakPolarHBondContact O-CA 3.47Å; I34-A45 HydrophobicContact CD1-CB 4.37Å; I34-A45 HydrophobicContact CG1-CB 4.03Å; I34-A45 PolarHBondContact N-O 3.09Å; I34-A45 PolarHBondContact O-N 3.19Å; I34-V160 CarbonylContact C-O 3.51Å; I34-V160 WeakPolarHBondContact CA-O 3.36Å; I34-A161 HydrophobicContact CG2-CB 3.72Å; I34-A169 HydrophobicContact CG2-CB 3.8Å; I34-L173 HydrophobicContact CB-CD1 4.42Å; I34-M197 HydrophobicContact CB-CE 4.16Å; I34-M197 HydrophobicContact CD1-CE 3.7Å; I34-M197 HydrophobicContact CD1-SD 3.95Å; I34-M197 HydrophobicContact CG1-CE 3.53Å; I34-M197 HydrophobicContact CG1-SD 4.28Å; I34-M197 WeakPolarHBondContact O-CE 3.49Å; I34-A200 HydrophobicContact CD1-CB 3.58Å; I34-M201 HydrophobicContact CD1-CG 4.05Å; I34-M201 HydrophobicContact CD1-SD 3.72Å; I34-M201 HydrophobicContact CG1-SD 3.94Å; I34-L204 HydrophobicContact CG2-CD1 4.27Å
35	G	98.5	Very high	96.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	149.7	177.6	0	0	0	0	0	113.9	V43 L44 Y159 V160	G35-V43 CarbonylContact C-O 3.59Å; G35-V43 WeakPolarHBondContact CA-O 3.25Å; G35-L44 VanDerWaalsContact CA-CD2 3.47Å; G35-Y159 CarbonylContact O-C 3.57Å; G35-Y159 VanDerWaalsContact O-CA 3.24Å; G35-Y159 WeakPolarHBondContact O-CA 3.32Å; G35-V160 PolarHBondContact N-O 2.89Å; G35-V160 PolarHBondContact O-N 3.07Å
36	I	98.6	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	140.8	175.7	-167.6	163.3	0	0	0	111.3	V42 V43 I145 N158 L173 C176 I188 A193 M197	I36-V42 WeakPolarHBondContact O-CA 3.43Å; I36-V43 HydrophobicContact CG2-CB 4.4Å; I36-V43 PolarHBondContact N-O 3.03Å; I36-V43 PolarHBondContact O-N 2.98Å; I36-I145 VanDerWaalsContact C-CD1 3.44Å; I36-N158 CarbonylContact C-O 3.47Å; I36-N158 WeakPolarHBondContact CA-O 3.38Å; I36-L173 HydrophobicContact CB-CD2 4.44Å; I36-L173 HydrophobicContact CD1-CD2 4.37Å; I36-C176 HydrophobicContact CD1-CB 4.26Å; I36-I188 HydrophobicContact CD1-CD1 4.11Å; I36-I188 HydrophobicContact CG1-CD1 4.49Å; I36-A193 HydrophobicContact CG2-CB 4.08Å; I36-M197 HydrophobicContact CB-SD 4.21Å; I36-M197 HydrophobicContact CG2-CG 3.68Å; I36-M197 HydrophobicContact CG2-SD 3.67Å
37	K	98.6	Very high	97.5	Very high	29 Å²	29	20 Å²	20	13%	0.126	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	145	169.2	-61	-172.8	-175	-174.5	0	109.8	V42 P143 I145 E157 N158 P185	K37-V42 HydrophobicContact CG-CG1 4.04Å; K37-P143 HydrophobicContact CB-CB 4.36Å; K37-P143 HydrophobicContact CD-CB 4.12Å; K37-P143 WeakPolarHBondContact CE-O 3.36Å; K37-P143 HydrophobicContact CG-CB 4.22Å; K37-P143 PolarHBondContact NZ-O 3.06Å; K37-I145 HydrophobicContact CG-CD1 3.72Å; K37-I145 HydrophobicContact CG-CG1 3.85Å; K37-E157 VanDerWaalsContact CE-O 3.27Å; K37-E157 WeakPolarHBondContact CE-O 3.45Å; K37-N158 WeakPolarHBondContact CD-OD1 3.25Å; K37-N158 PolarHBondContact N-O 3.12Å; K37-P185 HydrophobicContact CB-CB 3.96Å
38	Y	98.3	Very high	97.7	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	177.8	170.9	68.3	-88.5	0	0	0	109.5	N40 G41 V42 V43 P185 E190 A193 I219 V220	Y38-N40 PolarHBondContact O-N 3.43Å; Y38-G41 VanDerWaalsContact CD1-C 3.49Å; Y38-G41 WeakPolarHBondContact CD1-O 3.21Å; Y38-G41 PolarHBondContact N-O 2.89Å; Y38-G41 PolarHBondContact O-N 3.49Å; Y38-V42 VanDerWaalsContact CE1-C 3.49Å; Y38-V42 VanDerWaalsContact CE1-N 3.28Å; Y38-V43 HydrophobicContact CD1-CG2 3.73Å; Y38-V43 HydrophobicContact CE1-CG2 3.47Å; Y38-V43 VanDerWaalsContact CE1-CG2 3.47Å; Y38-P185 CarbonylContact C-O 3.42Å; Y38-P185 WeakPolarHBondContact CA-O 3.39Å; Y38-E190 HydrophobicContact CD2-CB 3.95Å; Y38-E190 HydrophobicContact CD2-CG 4.47Å; Y38-E190 HydrophobicContact CE1-CG 4.41Å; Y38-E190 HydrophobicContact CE2-CB 3.56Å; Y38-E190 HydrophobicContact CE2-CG 3.76Å; Y38-E190 PolarHBondContact OH-OE2 3.45Å; Y38-A193 HydrophobicContact CD1-CB 3.81Å; Y38-A193 HydrophobicContact CG-CB 3.94Å; Y38-I219 WeakPolarHBondContact OH-CG2 3.38Å; Y38-V220 PolarHBondContact OH-O 3.16Å
39	R	97.5	Very high	97.8	Very high	129 Å²	129	15.7 Å²	15.7	49%	0.487	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	115	178	-171.7	179.5	56.9	-171.9	-4.7	111.4	G41 P185 N186 I188	R39-G41 VanDerWaalsContact C-N 3.33Å; R39-P185 PolarHBondContact N-O 3.12Å; R39-N186 WeakPolarHBondContact CB-O 3.22Å; R39-N186 WeakPolarHBondContact CD-O 3.13Å; R39-I188 WeakPolarHBondContact CB-O 3.43Å; R39-I188 PolarHBondContact N-O 3.33Å
40	N	96.2	Very high	97.9	Very high	72 Å²	72	13.8 Å²	13.8	39%	0.385	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	14.3	-179.2	-50.7	-64.1	0	0	0	116.4	Y38 K222	Y38-N40 PolarHBondContact O-N 3.43Å; N40-K222 PolarHBondContact OD1-NZ 2.86Å
41	G	98.2	Very high	97.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	-178	-176.9	0	0	0	0	0	116.8	Y38 R39 P143 V220	Y38-G41 VanDerWaalsContact CD1-C 3.49Å; Y38-G41 WeakPolarHBondContact CD1-O 3.21Å; Y38-G41 PolarHBondContact N-O 2.89Å; Y38-G41 PolarHBondContact O-N 3.49Å; R39-G41 VanDerWaalsContact C-N 3.33Å; G41-P143 WeakPolarHBondContact O-CB 3.31Å; G41-V220 CarbonylContact C-O 3.42Å; G41-V220 WeakPolarHBondContact CA-O 3.46Å
42	V	98.6	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.7	174.1	-55.4	0	0	0	0	111	I36 K37 Y38 P143 I145 V220	I36-V42 WeakPolarHBondContact O-CA 3.43Å; K37-V42 HydrophobicContact CG-CG1 4.04Å; Y38-V42 VanDerWaalsContact CE1-C 3.49Å; Y38-V42 VanDerWaalsContact CE1-N 3.28Å; V42-P143 HydrophobicContact CG1-CB 3.69Å; V42-I145 HydrophobicContact CB-CD1 4.11Å; V42-I145 HydrophobicContact CB-CG1 4.08Å; V42-I145 HydrophobicContact CG1-CD1 4.08Å; V42-I145 HydrophobicContact CG1-CG1 3.71Å; V42-V220 HydrophobicContact CG2-CB 3.7Å; V42-V220 HydrophobicContact CG2-CG1 4.49Å; V42-V220 HydrophobicContact CG2-CG2 3.91Å; V42-V220 PolarHBondContact N-O 3.26Å; V42-V220 PolarHBondContact O-N 2.97Å
43	V	98.5	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.7	170.4	-175.3	0	0	0	0	108.9	G35 I36 Y38 A193 I194 M197 M217 A218 I219	G35-V43 CarbonylContact C-O 3.59Å; G35-V43 WeakPolarHBondContact CA-O 3.25Å; I36-V43 HydrophobicContact CG2-CB 4.4Å; I36-V43 PolarHBondContact N-O 3.03Å; I36-V43 PolarHBondContact O-N 2.98Å; Y38-V43 HydrophobicContact CD1-CG2 3.73Å; Y38-V43 HydrophobicContact CE1-CG2 3.47Å; Y38-V43 VanDerWaalsContact CE1-CG2 3.47Å; V43-A193 HydrophobicContact CG2-CB 3.86Å; V43-I194 HydrophobicContact CG2-CG1 4.37Å; V43-M197 HydrophobicContact CB-CG 4.12Å; V43-M197 HydrophobicContact CG1-CB 4.26Å; V43-M197 HydrophobicContact CG1-CE 4.3Å; V43-M197 HydrophobicContact CG1-CG 3.81Å; V43-M217 HydrophobicContact CG1-CG 3.49Å; V43-M217 VanDerWaalsContact CG1-CG 3.49Å; V43-M217 HydrophobicContact CG1-SD 3.58Å; V43-M217 VanDerWaalsContact CG1-SD 3.58Å; V43-A218 CarbonylContact C-O 3.55Å; V43-A218 VanDerWaalsContact CA-O 3.27Å; V43-A218 WeakPolarHBondContact CA-O 3.4Å; V43-I219 HydrophobicContact CG2-CG1 4.46Å
44	L	98.6	Very high	97.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.5	171.1	-54.8	-177.5	0	0	0	110.1	I34 G35 V72 C74 I145 M217 A218	I34-L44 CarbonylContact O-C 3.55Å; I34-L44 WeakPolarHBondContact O-CA 3.47Å; G35-L44 VanDerWaalsContact CA-CD2 3.47Å; L44-V72 HydrophobicContact CD1-CG1 3.55Å; L44-V72 HydrophobicContact CG-CG1 4.32Å; L44-C74 WeakPolarHBondContact CD1-SG 3.45Å; L44-I145 HydrophobicContact CD2-CD1 4.3Å; L44-M217 CarbonylContact O-C 3.59Å; L44-M217 VanDerWaalsContact O-CA 3.3Å; L44-M217 WeakPolarHBondContact O-CA 3.42Å; L44-A218 HydrophobicContact CB-CB 4.41Å; L44-A218 PolarHBondContact N-O 3.4Å; L44-A218 PolarHBondContact O-N 3Å
45	A	98.5	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146	175	0	0	0	0	0	112.5	V33 I34 M197 M201 Y215 Q216	V33-A45 WeakPolarHBondContact CA-O 3.44Å; V33-A45 WeakPolarHBondContact CG1-O 3.44Å; I34-A45 HydrophobicContact CD1-CB 4.37Å; I34-A45 HydrophobicContact CG1-CB 4.03Å; I34-A45 PolarHBondContact N-O 3.09Å; I34-A45 PolarHBondContact O-N 3.19Å; A45-M197 HydrophobicContact CB-CE 3.65Å; A45-M201 HydrophobicContact CB-CG 3.97Å; A45-M201 HydrophobicContact CB-SD 3.94Å; A45-Y215 HydrophobicContact CB-CD2 4.44Å; A45-Q216 VanDerWaalsContact CA-O 3.32Å; A45-Q216 WeakPolarHBondContact CA-O 3.27Å
46	A	98.1	Very high	97	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	139.2	174.5	0	0	0	0	0	109.6	V33 R63 M64 Y215 Q216	V33-A46 HydrophobicContact CG1-CB 4.2Å; V33-A46 HydrophobicContact CG2-CB 3.94Å; A46-R63 HydrophobicContact CB-CB 4.4Å; A46-M64 HydrophobicContact CB-CE 3.76Å; A46-Y215 WeakPolarHBondContact O-CA 3.49Å; A46-Y215 WeakPolarHBondContact O-CB 3.41Å; A46-Q216 PolarHBondContact N-O 2.94Å; A46-Q216 VanDerWaalsContact N-O 3.12Å; A46-Q216 PolarHBondContact O-N 2.86Å
47	D	97.6	Very high	96.9	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	164.1	168.9	74.3	15.4	0	0	0	111.9	L49 R63 M201 A211 F212 T214	D47-L49 PolarHBondContact OD1-N 2.83Å; D47-R63 PolarHBondContact O-NE 3.4Å; D47-R63 PolarHBondContact O-NH2 3.38Å; D47-R63 IonicContact OD1-CZ 3.45Å; D47-R63 IonicContact OD1-NE 3.56Å; D47-R63 IonicContact OD1-NH2 3.86Å; D47-R63 PolarHBondContact OD1-NH2 2.62Å; D47-M201 HydrophobicContact CB-CE 3.94Å; D47-A211 WeakPolarHBondContact OD2-CA 3.46Å; D47-F212 HydrophobicContact CB-CB 4.29Å; D47-F212 PolarHBondContact OD2-N 2.81Å; D47-T214 WeakPolarHBondContact CA-O 3.01Å
48	M	97.8	Very high	96.8	Very high	11 Å²	11	39.9 Å²	39.9	5%	0.054	21%	0.208	C	C	.	.			trans	-97.3	15.6	-175.8	-60.8	-177	74.8	0	0	113.4	M59 D60 F61 E62 T214 Q216 P230	M48-M59 CarbonylContact O-C 3.59Å; M48-D60 PolarHBondContact O-N 3.31Å; M48-F61 CarbonylContact C-O 3.59Å; M48-F61 VanDerWaalsContact CA-O 3.29Å; M48-F61 WeakPolarHBondContact CA-O 3.49Å; M48-F61 PolarHBondContact O-N 2.9Å; M48-E62 HydrophobicContact CE-CG 4Å; M48-T214 PolarHBondContact N-O 2.86Å; M48-T214 HydrophobicContact SD-CG2 4.03Å; M48-Q216 HydrophobicContact CE-CG 4.16Å; M48-Q216 HydrophobicContact CG-CG 3.92Å; M48-Q216 HydrophobicContact SD-CG 3.73Å; M48-P230 HydrophobicContact SD-CB 3.81Å
49	L	97.8	Very high	96.7	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.037	23%	0.229	C	C	.	.			trans	-92.2	133.4	-176.7	175.4	63.3	0	0	0	111.9	D47 A56 Y58 M59 R210 F212	D47-L49 PolarHBondContact OD1-N 2.83Å; L49-A56 HydrophobicContact CD1-CB 3.59Å; L49-Y58 CarbonylContact C-O 3.56Å; L49-Y58 WeakPolarHBondContact CA-O 3.27Å; L49-M59 HydrophobicContact CD1-CG 4.34Å; L49-R210 WeakPolarHBondContact CD2-O 3.2Å; L49-F212 HydrophobicContact CB-CB 3.55Å; L49-F212 HydrophobicContact CB-CG 4.07Å; L49-F212 HydrophobicContact CD2-CB 3.95Å; L49-F212 HydrophobicContact CD2-CD2 4.27Å; L49-F212 HydrophobicContact CD2-CG 4.38Å; L49-F212 HydrophobicContact CG-CB 4.34Å
50	V	97.9	Very high	96.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.3	165.5	175.6	0	0	0	0	108.8	C28 K57 Y58 F61 V79	C28-V50 HydrophobicContact CB-CG1 3.71Å; V50-K57 PolarHBondContact O-N 3.43Å; V50-Y58 HydrophobicContact CB-CD2 4.04Å; V50-Y58 HydrophobicContact CG1-CD2 3.96Å; V50-Y58 PolarHBondContact N-O 3.43Å; V50-Y58 PolarHBondContact O-N 3.39Å; V50-F61 HydrophobicContact CG2-CB 3.59Å; V50-F61 HydrophobicContact CG2-CD1 3.62Å; V50-F61 HydrophobicContact CG2-CE1 4.49Å; V50-F61 HydrophobicContact CG2-CG 3.65Å; V50-V79 HydrophobicContact CB-CG2 4.25Å; V50-V79 HydrophobicContact CG1-CG2 3.63Å; V50-V79 HydrophobicContact CG2-CG2 3.56Å
51	S	97.1	Very high	96.7	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.8	179	-65.5	0	0	0	0	111.1	C28 T29 L55	C28-S51 CarbonylContact C-O 3.57Å; C28-S51 WeakPolarHBondContact CA-O 3.22Å; T29-S51 PolarHBondContact N-O 3.14Å; T29-S51 PolarHBondContact O-N 3.14Å; S51-L55 CarbonylContact C-O 3.57Å; S51-L55 WeakPolarHBondContact CA-O 3.39Å
52	Y	95.2	Very high	96.6	Very high	121 Å²	121	47.5 Å²	47.5	48%	0.475	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	94.6	165	179.6	-90.5	0	0	0	107.9	I27 S54 L55 K57	I27-Y52 HydrophobicContact CG2-CD2 3.54Å; I27-Y52 HydrophobicContact CG2-CE2 3.24Å; Y52-S54 PolarHBondContact O-N 2.95Å; Y52-S54 VanDerWaalsContact O-N 3.09Å; Y52-L55 PolarHBondContact N-O 2.93Å; Y52-L55 WeakPolarHBondContact O-CB 3.33Å; Y52-L55 PolarHBondContact O-N 2.96Å; Y52-K57 HydrophobicContact CG-CD 4.27Å
53	G	91.4	Very high	96.5	Very high	54 Å²	54	47.7 Å²	47.7	56%	0.557	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-116.4	-168.2	0	0	0	0	0	111.1
54	S	92.3	Very high	96.5	Very high	97 Å²	97	48 Å²	48	68%	0.678	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-9.3	178.3	63	0	0	0	0	115.6	Y52 R210	Y52-S54 PolarHBondContact O-N 2.95Å; Y52-S54 VanDerWaalsContact O-N 3.09Å; S54-R210 VanDerWaalsContact C-NH1 3.34Å; S54-R210 VanDerWaalsContact CA-CZ 3.47Å; S54-R210 VanDerWaalsContact CA-NH1 3.31Å; S54-R210 PolarHBondContact O-NH1 2.99Å
55	L	94.9	Very high	96.4	Very high	102 Å²	102	48.4 Å²	48.4	53%	0.534	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.1	-176.9	177.1	63.7	0	0	0	110.4	S51 Y52 K57	S51-L55 CarbonylContact C-O 3.57Å; S51-L55 WeakPolarHBondContact CA-O 3.39Å; Y52-L55 PolarHBondContact N-O 2.93Å; Y52-L55 WeakPolarHBondContact O-CB 3.33Å; Y52-L55 PolarHBondContact O-N 2.96Å; L55-K57 HydrophobicContact CG-CB 4.49Å; L55-K57 PolarHBondContact O-N 3.04Å
56	A	95.8	Very high	96.3	Very high	35 Å²	35	52.3 Å²	52.3	29%	0.289	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	95.1	165.6	0	0	0	0	0	109.2	L49 M59	L49-A56 HydrophobicContact CD1-CB 3.59Å; A56-M59 HydrophobicContact CB-CE 3.77Å
57	K	96.4	Very high	96.3	Very high	91 Å²	91	53 Å²	53	40%	0.396	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-46.7	-165.3	-171	175.8	-179.6	-152.9	0	113.2	V50 Y52 L55	V50-K57 PolarHBondContact O-N 3.43Å; Y52-K57 HydrophobicContact CG-CD 4.27Å; L55-K57 HydrophobicContact CG-CB 4.49Å; L55-K57 PolarHBondContact O-N 3.04Å
58	Y	96.9	Very high	96.2	Very high	105 Å²	105	53.9 Å²	53.9	41%	0.412	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.4	175.2	-50.7	-78.8	0	0	0	108	L49 V50	L49-Y58 CarbonylContact C-O 3.56Å; L49-Y58 WeakPolarHBondContact CA-O 3.27Å; V50-Y58 HydrophobicContact CB-CD2 4.04Å; V50-Y58 HydrophobicContact CG1-CD2 3.96Å; V50-Y58 PolarHBondContact N-O 3.43Å; V50-Y58 PolarHBondContact O-N 3.39Å
59	M	95.9	Very high	96	Very high	93 Å²	93	59.3 Å²	59.3	46%	0.458	31%	0.307	S	S	.	.	S	Bend	trans	-104.5	0.7	-171.9	-62.8	178	-177.1	0	0	112.9	M48 L49 A56 F212	M48-M59 CarbonylContact O-C 3.59Å; L49-M59 HydrophobicContact CD1-CG 4.34Å; A56-M59 HydrophobicContact CB-CE 3.77Å; M59-F212 HydrophobicContact CB-CE1 3.91Å; M59-F212 HydrophobicContact CB-CZ 4.02Å; M59-F212 HydrophobicContact CG-CE1 4.39Å; M59-F212 HydrophobicContact CG-CE2 4.46Å; M59-F212 HydrophobicContact CG-CZ 4.04Å; M59-F212 HydrophobicContact SD-CE2 4.31Å; M59-F212 HydrophobicContact SD-CZ 3.87Å
60	D	96	Very high	95.8	Very high	124 Å²	124	60.6 Å²	60.6	66%	0.663	32%	0.316	S	S	*	.	S	Bend	trans	-135.9	28.6	-171.3	60.7	-22	0	0	0	111.6	M48	M48-D60 PolarHBondContact O-N 3.31Å
61	F	97.1	Very high	95.8	Very high	42 Å²	42	60.6 Å²	60.6	18%	0.184	32%	0.316	C	S	.	.			trans	-93	125.7	-178.4	-172.4	-87.4	0	0	0	111.9	M48 V50 R63 V79 F82 Q83	M48-F61 CarbonylContact C-O 3.59Å; M48-F61 VanDerWaalsContact CA-O 3.29Å; M48-F61 WeakPolarHBondContact CA-O 3.49Å; M48-F61 PolarHBondContact O-N 2.9Å; V50-F61 HydrophobicContact CG2-CB 3.59Å; V50-F61 HydrophobicContact CG2-CD1 3.62Å; V50-F61 HydrophobicContact CG2-CE1 4.49Å; V50-F61 HydrophobicContact CG2-CG 3.65Å; F61-R63 HydrophobicContact CD1-CG 3.81Å; F61-R63 HydrophobicContact CE1-CG 4.26Å; F61-R63 PolarHBondContact O-N 3.15Å; F61-V79 HydrophobicContact CD1-CG1 4.37Å; F61-V79 HydrophobicContact CE1-CG1 3.62Å; F61-V79 HydrophobicContact CE1-CG2 4.3Å; F61-V79 HydrophobicContact CE2-CG1 3.8Å; F61-V79 HydrophobicContact CZ-CG1 3.29Å; F61-F82 HydrophobicContact CE1-CD1 4Å; F61-F82 HydrophobicContact CE1-CE1 4.01Å; F61-F82 HydrophobicContact CZ-CD1 4.27Å; F61-F82 HydrophobicContact CZ-CE1 4.34Å; F61-Q83 HydrophobicContact CZ-CG 4.44Å
62	E	96.8	Very high	95.9	Very high	107 Å²	107	60.4 Å²	60.4	50%	0.5	32%	0.315	S	S	.	.			trans	-78.7	115.3	179.4	-55.1	-172.2	137.1	0	0	111.5	M48 F82 Q216	M48-E62 HydrophobicContact CE-CG 4Å; E62-F82 WeakPolarHBondContact O-CE1 3.27Å; E62-Q216 VanDerWaalsContact CA-OE1 3.32Å; E62-Q216 VanDerWaalsContact CB-OE1 3.28Å; E62-Q216 PolarHBondContact OE1-NE2 3.06Å
63	R	96.6	Very high	96	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.015	29%	0.293	C	S	.	.			trans	-100	10.7	179.6	-57.2	-170.6	-61.7	129.8	-10.8	113.4	T31 S32 A46 D47 F61 C74 C75	T31-R63 PolarHBondContact O-NH1 3.4Å; S32-R63 PolarHBondContact O-NH2 3.42Å; A46-R63 HydrophobicContact CB-CB 4.4Å; D47-R63 PolarHBondContact O-NE 3.4Å; D47-R63 PolarHBondContact O-NH2 3.38Å; D47-R63 IonicContact OD1-CZ 3.45Å; D47-R63 IonicContact OD1-NE 3.56Å; D47-R63 IonicContact OD1-NH2 3.86Å; D47-R63 PolarHBondContact OD1-NH2 2.62Å; F61-R63 HydrophobicContact CD1-CG 3.81Å; F61-R63 HydrophobicContact CE1-CG 4.26Å; F61-R63 PolarHBondContact O-N 3.15Å; R63-C74 VanDerWaalsContact O-CA 3.28Å; R63-C74 WeakPolarHBondContact O-CA 3.47Å; R63-C75 PolarHBondContact NH1-O 2.98Å; R63-C75 PolarHBondContact O-N 3.3Å; R63-C75 VanDerWaalsContact O-N 3.1Å
64	M	97.2	Very high	96.3	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.2	175.7	66	178.8	64.7	0	0	110.5	A46 M73 C74 Q216 A218 I227	A46-M64 HydrophobicContact CB-CE 3.76Å; M64-M73 CarbonylContact C-O 3.46Å; M64-M73 VanDerWaalsContact CA-O 3.25Å; M64-M73 WeakPolarHBondContact CA-O 3.46Å; M64-C74 HydrophobicContact CB-CB 3.61Å; M64-Q216 HydrophobicContact CE-CB 3.74Å; M64-Q216 VanDerWaalsContact CE-O 3.25Å; M64-Q216 WeakPolarHBondContact CE-O 3.18Å; M64-Q216 HydrophobicContact CG-CB 4.13Å; M64-Q216 HydrophobicContact SD-CB 3.59Å; M64-Q216 VanDerWaalsContact SD-CB 3.59Å; M64-A218 HydrophobicContact SD-CB 3.96Å; M64-I227 HydrophobicContact CG-CG2 4.13Å; M64-I227 HydrophobicContact SD-CG2 3.81Å
65	F	97.4	Very high	96.6	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.048	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.3	176.1	72.8	-77.9	0	0	0	111.2	V67 V72 M73 F82 K86 I89	F65-V67 HydrophobicContact CD2-CG2 4.33Å; F65-V67 HydrophobicContact CE2-CG2 3.72Å; F65-V67 HydrophobicContact CZ-CG2 4.01Å; F65-V67 PolarHBondContact O-N 2.91Å; F65-V72 WeakPolarHBondContact O-CG2 3.41Å; F65-M73 HydrophobicContact CD1-CB 4.39Å; F65-M73 HydrophobicContact CE1-CB 3.83Å; F65-M73 HydrophobicContact CE1-CG 3.98Å; F65-M73 HydrophobicContact CE1-SD 3.95Å; F65-M73 HydrophobicContact CZ-CB 4.12Å; F65-M73 HydrophobicContact CZ-CG 4.46Å; F65-M73 HydrophobicContact CZ-SD 4.05Å; F65-M73 PolarHBondContact N-O 2.91Å; F65-M73 PolarHBondContact O-N 3.12Å; F65-F82 AromaticContact CD1-CE2 3.79Å; F65-F82 HydrophobicContact CD1-CE2 3.79Å; F65-F82 AromaticContact CD1-CZ 3.86Å; F65-F82 HydrophobicContact CD1-CZ 3.86Å; F65-F82 AromaticContact CE1-CE2 3.91Å; F65-F82 HydrophobicContact CE1-CE2 3.91Å; F65-F82 HydrophobicContact CE1-CZ 4.39Å; F65-K86 HydrophobicContact CB-CD 4.37Å; F65-K86 HydrophobicContact CD1-CB 4.41Å; F65-K86 HydrophobicContact CD1-CD 4.13Å; F65-K86 HydrophobicContact CD1-CG 4.08Å; F65-K86 HydrophobicContact CD2-CD 4.38Å; F65-K86 HydrophobicContact CD2-CG 4.04Å; F65-K86 HydrophobicContact CE1-CB 4.01Å; F65-K86 HydrophobicContact CE1-CG 4.03Å; F65-K86 HydrophobicContact CE2-CG 3.98Å; F65-K86 HydrophobicContact CG-CD 4.04Å; F65-K86 HydrophobicContact CG-CG 4.09Å; F65-K86 HydrophobicContact CZ-CB 4.12Å; F65-K86 HydrophobicContact CZ-CG 3.98Å; F65-I89 HydrophobicContact CE2-CG2 4.09Å; F65-I89 HydrophobicContact CZ-CB 4.24Å; F65-I89 HydrophobicContact CZ-CD1 4.22Å; F65-I89 HydrophobicContact CZ-CG2 4.04Å
66	K	97.2	Very high	96.7	Very high	82 Å²	82	43.3 Å²	43.3	36%	0.357	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	120.5	173.5	-178.2	170.7	-178.7	172.8	0	108.8	N68 I225 I227	K66-N68 WeakPolarHBondContact CE-O 3.41Å; K66-N68 WeakPolarHBondContact CG-O 2.99Å; K66-I225 HydrophobicContact CD-CB 4.31Å; K66-I225 HydrophobicContact CD-CG2 4.47Å; K66-I225 HydrophobicContact CG-CD1 4.16Å; K66-I227 HydrophobicContact CB-CD1 4.15Å
67	V	97.1	Very high	96.7	Very high	16 Å²	16	42.5 Å²	42.5	10%	0.097	21%	0.209	C	C	.	.			trans	-80.6	-51.2	176	178.2	0	0	0	0	109.1	F65 T71 M73 I89 T93 L105 L110	F65-V67 HydrophobicContact CD2-CG2 4.33Å; F65-V67 HydrophobicContact CE2-CG2 3.72Å; F65-V67 HydrophobicContact CZ-CG2 4.01Å; F65-V67 PolarHBondContact O-N 2.91Å; V67-T71 HydrophobicContact CB-CG2 4.14Å; V67-T71 WeakPolarHBondContact CB-O 3.33Å; V67-T71 HydrophobicContact CG2-CG2 4.28Å; V67-T71 PolarHBondContact N-O 3.37Å; V67-M73 HydrophobicContact CG2-CB 3.88Å; V67-I89 HydrophobicContact CB-CG2 4.48Å; V67-I89 HydrophobicContact CG1-CG2 3.69Å; V67-I89 HydrophobicContact CG2-CG2 4.06Å; V67-T93 HydrophobicContact CG1-CG2 4.47Å; V67-T93 WeakPolarHBondContact CG1-OG1 3.41Å; V67-T93 WeakPolarHBondContact O-CG2 3.28Å; V67-L105 HydrophobicContact CG1-CD2 4.48Å; V67-L110 HydrophobicContact CB-CD2 4.29Å; V67-L110 HydrophobicContact CG1-CD2 4.06Å; V67-L110 HydrophobicContact CG2-CD2 3.7Å
68	N	94.8	Very high	96.7	Very high	21 Å²	21	38.7 Å²	38.7	11%	0.112	19%	0.193	C	C	.	.	S	Bend	trans	-151.3	-160.6	175.6	62.3	32.3	0	0	0	110.2	K66 S70 T71 T93 L105 I225	K66-N68 WeakPolarHBondContact CE-O 3.41Å; K66-N68 WeakPolarHBondContact CG-O 2.99Å; N68-S70 VanDerWaalsContact C-N 3.27Å; N68-S70 PolarHBondContact O-N 3.24Å; N68-S70 PolarHBondContact OD1-N 2.96Å; N68-S70 PolarHBondContact OD1-OG 3.46Å; N68-T71 PolarHBondContact N-O 2.9Å; N68-T71 WeakPolarHBondContact OD1-CB 3.39Å; N68-T71 PolarHBondContact OD1-N 3.22Å; N68-T71 PolarHBondContact OD1-OG1 3.17Å; N68-T93 HydrophobicContact CB-CG2 4.09Å; N68-L105 PolarHBondContact ND2-O 3.13Å; N68-I225 VanDerWaalsContact O-CD1 3.26Å; N68-I225 WeakPolarHBondContact O-CD1 3.47Å
69	Q	93.3	Very high	96.7	Very high	125 Å²	125	34.4 Å²	34.4	58%	0.584	18%	0.177	S	C	*	.	S	Bend	trans	-72.1	-14	-176.4	-60	-59.3	-23	0	0	115	I225	Q69-I225 WeakPolarHBondContact O-CG1 3.46Å
70	S	95.4	Very high	96.7	Very high	34 Å²	34	32.7 Å²	32.7	24%	0.238	18%	0.178	C	C	.	.	S	Bend	trans	-127.8	-8.7	-176.7	59.3	0	0	0	0	114.3	N68 G136 L137	N68-S70 VanDerWaalsContact C-N 3.27Å; N68-S70 PolarHBondContact O-N 3.24Å; N68-S70 PolarHBondContact OD1-N 2.96Å; N68-S70 PolarHBondContact OD1-OG 3.46Å; S70-G136 CarbonylContact O-C 3.53Å; S70-G136 WeakPolarHBondContact O-CA 3.32Å; S70-L137 PolarHBondContact O-N 3.5Å
71	T	97.9	Very high	96.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.4	-177.3	-54.9	0	0	0	0	112.2	V67 N68 P107 L110 V134 I225	V67-T71 HydrophobicContact CB-CG2 4.14Å; V67-T71 WeakPolarHBondContact CB-O 3.33Å; V67-T71 HydrophobicContact CG2-CG2 4.28Å; V67-T71 PolarHBondContact N-O 3.37Å; N68-T71 PolarHBondContact N-O 2.9Å; N68-T71 WeakPolarHBondContact OD1-CB 3.39Å; N68-T71 PolarHBondContact OD1-N 3.22Å; N68-T71 PolarHBondContact OD1-OG1 3.17Å; T71-P107 HydrophobicContact CG2-CB 3.94Å; T71-P107 WeakPolarHBondContact OG1-CD 3.43Å; T71-L110 HydrophobicContact CG2-CD2 3.62Å; T71-V134 HydrophobicContact CG2-CG1 3.71Å; T71-I225 WeakPolarHBondContact O-CD1 3.33Å
72	V	98.3	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.5	171.6	66	0	0	0	0	109.5	L44 F65 G135 A218 V220 I225 I227	L44-V72 HydrophobicContact CD1-CG1 3.55Å; L44-V72 HydrophobicContact CG-CG1 4.32Å; F65-V72 WeakPolarHBondContact O-CG2 3.41Å; V72-G135 WeakPolarHBondContact CG1-O 3.45Å; V72-G135 PolarHBondContact N-O 2.94Å; V72-G135 PolarHBondContact O-N 3.41Å; V72-G135 VanDerWaalsContact O-O 3.1Å; V72-A218 HydrophobicContact CG1-CB 4.19Å; V72-A218 HydrophobicContact CG2-CB 3.93Å; V72-V220 HydrophobicContact CB-CG2 4.39Å; V72-V220 HydrophobicContact CG1-CG2 3.69Å; V72-I225 HydrophobicContact CB-CD1 4.49Å; V72-I227 HydrophobicContact CG2-CD1 4.19Å
73	M	98.1	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.6	175.9	177.1	174.9	168.2	0	0	110.5	M64 F65 V67 C75 L85 I89 I114 C132 L133	M64-M73 CarbonylContact C-O 3.46Å; M64-M73 VanDerWaalsContact CA-O 3.25Å; M64-M73 WeakPolarHBondContact CA-O 3.46Å; F65-M73 HydrophobicContact CD1-CB 4.39Å; F65-M73 HydrophobicContact CE1-CB 3.83Å; F65-M73 HydrophobicContact CE1-CG 3.98Å; F65-M73 HydrophobicContact CE1-SD 3.95Å; F65-M73 HydrophobicContact CZ-CB 4.12Å; F65-M73 HydrophobicContact CZ-CG 4.46Å; F65-M73 HydrophobicContact CZ-SD 4.05Å; F65-M73 PolarHBondContact N-O 2.91Å; F65-M73 PolarHBondContact O-N 3.12Å; V67-M73 HydrophobicContact CG2-CB 3.88Å; M73-C75 WeakPolarHBondContact CE-SG 3.28Å; M73-L85 HydrophobicContact CE-CB 4.49Å; M73-L85 HydrophobicContact CE-CD1 4.43Å; M73-I89 HydrophobicContact CE-CD1 3.9Å; M73-I89 HydrophobicContact SD-CD1 3.28Å; M73-I89 WeakPolarHBondContact SD-CD1 3.47Å; M73-I114 HydrophobicContact CE-CD1 3.8Å; M73-I114 HydrophobicContact SD-CD1 3.49Å; M73-I114 WeakPolarHBondContact SD-CD1 3.35Å; M73-C132 HydrophobicContact CE-CB 3.87Å; M73-C132 VanDerWaalsContact CE-SG 3.54Å; M73-L133 WeakPolarHBondContact CA-O 3.33Å
74	C	97.5	Very high	96.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.7	175.3	50.1	0	0	0	0	110.9	V33 L44 R63 M64 L133	V33-C74 HydrophobicContact CG1-CB 3.7Å; V33-C74 WeakPolarHBondContact CG1-SG 3.3Å; L44-C74 WeakPolarHBondContact CD1-SG 3.45Å; R63-C74 VanDerWaalsContact O-CA 3.28Å; R63-C74 WeakPolarHBondContact O-CA 3.47Å; M64-C74 HydrophobicContact CB-CB 3.61Å; C74-L133 PolarHBondContact N-O 3.43Å; C74-L133 PolarHBondContact O-N 3.4Å
75	C	97.1	Very high	96.6	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.027	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.8	-172.3	-66.3	0	0	0	0	113.1	V33 R63 M73 F82 N130 T131 C132	V33-C75 WeakPolarHBondContact CG2-O 3.32Å; R63-C75 PolarHBondContact NH1-O 2.98Å; R63-C75 PolarHBondContact O-N 3.3Å; R63-C75 VanDerWaalsContact O-N 3.1Å; M73-C75 WeakPolarHBondContact CE-SG 3.28Å; C75-F82 HydrophobicContact CB-CB 4.43Å; C75-F82 HydrophobicContact CB-CD2 3.58Å; C75-F82 HydrophobicContact CB-CE2 4.18Å; C75-F82 HydrophobicContact CB-CG 4.27Å; C75-N130 HydrophobicContact CB-CB 4.46Å; C75-T131 WeakPolarHBondContact CA-O 3.34Å; C75-C132 PolarHBondContact SG-SG 3.44Å
76	S	97	Very high	96.6	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.063	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	166.8	158.2	61.6	0	0	0	0	110.8	T31 N130 T131 T162	T31-S76 WeakPolarHBondContact O-CB 3.48Å; S76-N130 WeakPolarHBondContact O-CA 3.44Å; S76-N130 WeakPolarHBondContact O-CB 3.38Å; S76-N130 PolarHBondContact O-ND2 2.83Å; S76-T131 PolarHBondContact N-O 2.88Å; S76-T131 PolarHBondContact O-N 2.78Å; S76-T131 VanDerWaalsContact O-N 3.16Å; S76-T131 WeakPolarHBondContact OG-CB 3.48Å; S76-T131 PolarHBondContact OG-O 3.34Å; S76-T162 VanDerWaalsContact CB-OG1 3.29Å; S76-T162 WeakPolarHBondContact CB-OG1 3.25Å; S76-T162 WeakPolarHBondContact OG-CB 3.47Å; S76-T162 PolarHBondContact OG-OG1 3.08Å; S76-T162 VanDerWaalsContact OG-OG1 3.06Å
77	G	96.3	Very high	96.7	Very high	19 Å²	19	34.5 Å²	34.5	20%	0.196	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.4	-149.4	178.1	0	0	0	0	0	113.4	T29 G30 W129	T29-G77 CarbonylContact C-O 3.2Å; T29-G77 VanDerWaalsContact CA-O 3.26Å; T29-G77 WeakPolarHBondContact CA-O 3.28Å; G30-G77 PolarHBondContact N-O 2.92Å; G30-G77 PolarHBondContact O-N 3.2Å; G77-W129 CarbonylContact C-O 3.58Å; G77-W129 WeakPolarHBondContact CA-O 3.48Å
78	D	96.4	Very high	96.7	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.059	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.3	-168.7	-166.2	86.1	0	0	0	113.2	P26 I27 C28 A80 D81 F82 W129 N130	P26-D78 WeakPolarHBondContact CA-OD1 3.46Å; P26-D78 HydrophobicContact CB-CB 3.67Å; P26-D78 WeakPolarHBondContact CB-OD1 3.17Å; I27-D78 PolarHBondContact N-OD1 3.1Å; C28-D78 WeakPolarHBondContact O-CA 3.44Å; D78-A80 WeakPolarHBondContact OD2-CA 2.93Å; D78-A80 VanDerWaalsContact OD2-CB 3.31Å; D78-A80 WeakPolarHBondContact OD2-CB 3.24Å; D78-A80 PolarHBondContact OD2-N 3.32Å; D78-D81 HydrophobicContact CB-CB 4.24Å; D78-D81 PolarHBondContact OD2-N 3Å; D78-F82 WeakPolarHBondContact O-CB 3.43Å; D78-F82 PolarHBondContact O-N 3.5Å; D78-W129 HydrophobicContact CB-CB 3.8Å; D78-W129 PolarHBondContact N-O 2.75Å; D78-N130 PolarHBondContact N-ND2 3.24Å; D78-N130 PolarHBondContact O-ND2 3.48Å
79	V	96.7	Very high	96.8	Very high	14 Å²	14	35.8 Å²	35.8	9%	0.085	19%	0.187	C	C	.	.	H	α-helix	trans	-75.2	-34.1	-175.9	172.4	0	0	0	0	112.5	C28 V50 F61 F82 Q83	C28-V79 HydrophobicContact CB-CB 4.37Å; C28-V79 WeakPolarHBondContact O-CG2 3.48Å; C28-V79 PolarHBondContact O-N 2.91Å; V50-V79 HydrophobicContact CB-CG2 4.25Å; V50-V79 HydrophobicContact CG1-CG2 3.63Å; V50-V79 HydrophobicContact CG2-CG2 3.56Å; F61-V79 HydrophobicContact CD1-CG1 4.37Å; F61-V79 HydrophobicContact CE1-CG1 3.62Å; F61-V79 HydrophobicContact CE1-CG2 4.3Å; F61-V79 HydrophobicContact CE2-CG1 3.8Å; F61-V79 HydrophobicContact CZ-CG1 3.29Å; V79-F82 WeakPolarHBondContact O-CB 3.32Å; V79-F82 PolarHBondContact O-N 3.23Å; V79-Q83 HydrophobicContact CG1-CG 4.49Å; V79-Q83 WeakPolarHBondContact O-CG 3.46Å; V79-Q83 PolarHBondContact O-N 3.4Å
80	A	95.8	Very high	97	Very high	57 Å²	57	34.1 Å²	34.1	47%	0.471	18%	0.179	S	C	.	.	H	α-helix	trans	-69.2	-41.2	178.7	0	0	0	0	0	110.4	D78 F82 Q83 F84	D78-A80 WeakPolarHBondContact OD2-CA 2.93Å; D78-A80 VanDerWaalsContact OD2-CB 3.31Å; D78-A80 WeakPolarHBondContact OD2-CB 3.24Å; D78-A80 PolarHBondContact OD2-N 3.32Å; A80-F82 VanDerWaalsContact C-N 3.32Å; A80-F82 PolarHBondContact O-N 3.39Å; A80-Q83 PolarHBondContact O-N 3.37Å; A80-F84 WeakPolarHBondContact O-CB 3.47Å; A80-F84 PolarHBondContact O-N 2.91Å
81	D	95.8	Very high	97	Very high	31 Å²	31	37.1 Å²	37.1	17%	0.166	19%	0.189	C	C	.	.	H	α-helix	trans	-65.4	-36.2	173.8	-71.8	-24	0	0	0	111.9	D78 F84 L85 L128 W129 N130	D78-D81 HydrophobicContact CB-CB 4.24Å; D78-D81 PolarHBondContact OD2-N 3Å; D81-F84 WeakPolarHBondContact O-CB 3.31Å; D81-F84 PolarHBondContact O-N 2.95Å; D81-L85 WeakPolarHBondContact O-CG 3.39Å; D81-L85 PolarHBondContact O-N 2.89Å; D81-L128 HydrophobicContact CB-CB 4.16Å; D81-L128 HydrophobicContact CB-CD2 4.07Å; D81-L128 WeakPolarHBondContact OD1-CD2 3.15Å; D81-L128 WeakPolarHBondContact OD2-CA 3.07Å; D81-W129 PolarHBondContact OD2-N 2.87Å; D81-N130 WeakPolarHBondContact CB-OD1 3.4Å
82	F	97.3	Very high	96.8	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.035	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-46.5	171.6	166.8	-112.6	0	0	0	112	F61 E62 F65 C75 D78 V79 A80 F84 L85 K86 N130	F61-F82 HydrophobicContact CE1-CD1 4Å; F61-F82 HydrophobicContact CE1-CE1 4.01Å; F61-F82 HydrophobicContact CZ-CD1 4.27Å; F61-F82 HydrophobicContact CZ-CE1 4.34Å; E62-F82 WeakPolarHBondContact O-CE1 3.27Å; F65-F82 AromaticContact CD1-CE2 3.79Å; F65-F82 HydrophobicContact CD1-CE2 3.79Å; F65-F82 AromaticContact CD1-CZ 3.86Å; F65-F82 HydrophobicContact CD1-CZ 3.86Å; F65-F82 AromaticContact CE1-CE2 3.91Å; F65-F82 HydrophobicContact CE1-CE2 3.91Å; F65-F82 HydrophobicContact CE1-CZ 4.39Å; C75-F82 HydrophobicContact CB-CB 4.43Å; C75-F82 HydrophobicContact CB-CD2 3.58Å; C75-F82 HydrophobicContact CB-CE2 4.18Å; C75-F82 HydrophobicContact CB-CG 4.27Å; D78-F82 WeakPolarHBondContact O-CB 3.43Å; D78-F82 PolarHBondContact O-N 3.5Å; V79-F82 WeakPolarHBondContact O-CB 3.32Å; V79-F82 PolarHBondContact O-N 3.23Å; A80-F82 VanDerWaalsContact C-N 3.32Å; A80-F82 PolarHBondContact O-N 3.39Å; F82-F84 VanDerWaalsContact C-N 3.31Å; F82-F84 PolarHBondContact O-N 3.09Å; F82-L85 PolarHBondContact O-N 2.79Å; F82-K86 WeakPolarHBondContact O-CB 3.36Å; F82-K86 PolarHBondContact O-N 2.89Å; F82-N130 PolarHBondContact N-OD1 3.37Å; F82-N130 VanDerWaalsContact N-OD1 3.15Å
83	Q	96.6	Very high	96.6	Very high	103 Å²	103	40.3 Å²	40.3	48%	0.481	21%	0.207	S	C	.	.	H	α-helix	trans	-62	-40.4	176.8	-73.3	173.5	-27.3	0	0	111.7	F61 V79 A80 K86 H87	F61-Q83 HydrophobicContact CZ-CG 4.44Å; V79-Q83 HydrophobicContact CG1-CG 4.49Å; V79-Q83 WeakPolarHBondContact O-CG 3.46Å; V79-Q83 PolarHBondContact O-N 3.4Å; A80-Q83 PolarHBondContact O-N 3.37Å; Q83-K86 PolarHBondContact O-N 3.34Å; Q83-H87 WeakPolarHBondContact O-CB 3.39Å; Q83-H87 PolarHBondContact O-N 2.83Å
84	F	96.3	Very high	96.4	Very high	90 Å²	90	45.7 Å²	45.7	40%	0.395	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-49.2	173.9	173.4	-89.8	0	0	0	111.6	A80 D81 F82 H87 H88 L128	A80-F84 WeakPolarHBondContact O-CB 3.47Å; A80-F84 PolarHBondContact O-N 2.91Å; D81-F84 WeakPolarHBondContact O-CB 3.31Å; D81-F84 PolarHBondContact O-N 2.95Å; F82-F84 VanDerWaalsContact C-N 3.31Å; F82-F84 PolarHBondContact O-N 3.09Å; F84-H87 PolarHBondContact O-N 2.94Å; F84-H88 AromaticContact CD2-CE1 3.63Å; F84-H88 AromaticContact CE1-CE1 3.82Å; F84-H88 AromaticContact CE1-ND1 3.88Å; F84-H88 AromaticContact CE2-CE1 3.13Å; F84-H88 WeakPolarHBondContact CE2-CE1 3.47Å; F84-H88 AromaticContact CE2-ND1 3.86Å; F84-H88 AromaticContact CE2-NE2 3.87Å; F84-H88 AromaticContact CZ-CE1 3.22Å; F84-H88 WeakPolarHBondContact CZ-CE1 3.44Å; F84-H88 AromaticContact CZ-ND1 3.76Å; F84-H88 AromaticContact CZ-NE2 3.67Å; F84-H88 PolarHBondContact O-N 2.86Å; F84-H88 PolarHBondContact O-ND1 2.77Å; F84-L128 HydrophobicContact CD1-CD1 3.95Å; F84-L128 HydrophobicContact CD1-CD2 4.01Å; F84-L128 HydrophobicContact CE1-CD1 4Å; F84-L128 HydrophobicContact CE1-CD2 4.32Å
85	L	97.1	Very high	96.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-46.2	177.5	-76.8	169.8	0	0	0	111.7	M73 D81 F82 H87 H88 I89 V117 L118 L128 N130	M73-L85 HydrophobicContact CE-CB 4.49Å; M73-L85 HydrophobicContact CE-CD1 4.43Å; D81-L85 WeakPolarHBondContact O-CG 3.39Å; D81-L85 PolarHBondContact O-N 2.89Å; F82-L85 PolarHBondContact O-N 2.79Å; L85-H87 VanDerWaalsContact C-N 3.32Å; L85-H87 PolarHBondContact O-N 3.44Å; L85-H88 PolarHBondContact O-N 2.92Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.3Å; L85-I89 PolarHBondContact O-N 2.87Å; L85-V117 HydrophobicContact CD2-CG1 4.13Å; L85-L118 HydrophobicContact CD1-CD2 4.36Å; L85-L128 HydrophobicContact CD1-CD1 4.23Å; L85-L128 HydrophobicContact CD2-CD1 3.57Å; L85-L128 HydrophobicContact CG-CD1 3.82Å; L85-N130 HydrophobicContact CD1-CB 4.32Å
86	K	97.6	Very high	95.8	Very high	64 Å²	64	52.1 Å²	52.1	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-54.6	-49.1	177.8	177.1	176.4	173.1	-177.1	0	110.9	F65 F82 Q83 H88 I89 E90	F65-K86 HydrophobicContact CB-CD 4.37Å; F65-K86 HydrophobicContact CD1-CB 4.41Å; F65-K86 HydrophobicContact CD1-CD 4.13Å; F65-K86 HydrophobicContact CD1-CG 4.08Å; F65-K86 HydrophobicContact CD2-CD 4.38Å; F65-K86 HydrophobicContact CD2-CG 4.04Å; F65-K86 HydrophobicContact CE1-CB 4.01Å; F65-K86 HydrophobicContact CE1-CG 4.03Å; F65-K86 HydrophobicContact CE2-CG 3.98Å; F65-K86 HydrophobicContact CG-CD 4.04Å; F65-K86 HydrophobicContact CG-CG 4.09Å; F65-K86 HydrophobicContact CZ-CB 4.12Å; F65-K86 HydrophobicContact CZ-CG 3.98Å; F82-K86 WeakPolarHBondContact O-CB 3.36Å; F82-K86 PolarHBondContact O-N 2.89Å; Q83-K86 PolarHBondContact O-N 3.34Å; K86-H88 PolarHBondContact O-N 2.96Å; K86-I89 PolarHBondContact O-N 2.82Å; K86-E90 WeakPolarHBondContact CE-OE1 3.44Å; K86-E90 HydrophobicContact CG-CG 4.34Å; K86-E90 IonicContact NZ-OE1 2.67Å; K86-E90 WeakPolarHBondContact O-CB 3.5Å; K86-E90 WeakPolarHBondContact O-CG 3.12Å; K86-E90 PolarHBondContact O-N 2.95Å
87	H	97.8	Very high	95.5	Very high	117 Å²	117	54.8 Å²	54.8	54%	0.542	28%	0.281	S	S	.	.	H	α-helix	trans	-57.6	-45	179.7	-177.2	62.3	0	0	0	112.9	Q83 F84 L85 E90 E91	Q83-H87 WeakPolarHBondContact O-CB 3.39Å; Q83-H87 PolarHBondContact O-N 2.83Å; F84-H87 PolarHBondContact O-N 2.94Å; L85-H87 VanDerWaalsContact C-N 3.32Å; L85-H87 PolarHBondContact O-N 3.44Å; H87-E90 PolarHBondContact O-N 3.43Å; H87-E91 PolarHBondContact O-N 2.89Å
88	H	97.4	Very high	95.3	Very high	63 Å²	63	59.4 Å²	59.4	29%	0.292	30%	0.301	S	S	.	.	H	α-helix	trans	-69.7	-33.9	179.4	-71.2	74.2	0	0	0	112.6	F84 L85 K86 E91 L92 W113	F84-H88 AromaticContact CD2-CE1 3.63Å; F84-H88 AromaticContact CE1-CE1 3.82Å; F84-H88 AromaticContact CE1-ND1 3.88Å; F84-H88 AromaticContact CE2-CE1 3.13Å; F84-H88 WeakPolarHBondContact CE2-CE1 3.47Å; F84-H88 AromaticContact CE2-ND1 3.86Å; F84-H88 AromaticContact CE2-NE2 3.87Å; F84-H88 AromaticContact CZ-CE1 3.22Å; F84-H88 WeakPolarHBondContact CZ-CE1 3.44Å; F84-H88 AromaticContact CZ-ND1 3.76Å; F84-H88 AromaticContact CZ-NE2 3.67Å; F84-H88 PolarHBondContact O-N 2.86Å; F84-H88 PolarHBondContact O-ND1 2.77Å; L85-H88 PolarHBondContact O-N 2.92Å; K86-H88 PolarHBondContact O-N 2.96Å; H88-E91 PolarHBondContact O-N 3.31Å; H88-L92 WeakPolarHBondContact O-CB 3.24Å; H88-L92 PolarHBondContact O-N 2.84Å; H88-W113 HydrophobicContact CB-CH2 4.05Å
89	I	97.6	Very high	95.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-72	-38.3	177.3	-68.8	167.1	0	0	0	110.7	F65 V67 M73 L85 K86 L92 T93 L110 W113 I114	F65-I89 HydrophobicContact CE2-CG2 4.09Å; F65-I89 HydrophobicContact CZ-CB 4.24Å; F65-I89 HydrophobicContact CZ-CD1 4.22Å; F65-I89 HydrophobicContact CZ-CG2 4.04Å; V67-I89 HydrophobicContact CB-CG2 4.48Å; V67-I89 HydrophobicContact CG1-CG2 3.69Å; V67-I89 HydrophobicContact CG2-CG2 4.06Å; M73-I89 HydrophobicContact CE-CD1 3.9Å; M73-I89 HydrophobicContact SD-CD1 3.28Å; M73-I89 WeakPolarHBondContact SD-CD1 3.47Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.3Å; L85-I89 PolarHBondContact O-N 2.87Å; K86-I89 PolarHBondContact O-N 2.82Å; I89-L92 PolarHBondContact O-N 2.96Å; I89-T93 WeakPolarHBondContact O-CB 3.32Å; I89-T93 PolarHBondContact O-N 2.97Å; I89-T93 PolarHBondContact O-OG1 3.36Å; I89-L110 HydrophobicContact CD1-CD1 4.08Å; I89-L110 HydrophobicContact CG1-CD1 4.01Å; I89-L110 HydrophobicContact CG2-CD1 3.88Å; I89-W113 HydrophobicContact CD1-CZ3 4.14Å; I89-W113 HydrophobicContact CG1-CE3 4.31Å; I89-W113 HydrophobicContact CG1-CH2 4.15Å; I89-W113 HydrophobicContact CG1-CZ3 3.57Å; I89-I114 HydrophobicContact CD1-CD1 4.19Å; I89-I114 HydrophobicContact CD1-CG1 4.29Å
90	E	96.6	Very high	94.5	Very high	91 Å²	91	69 Å²	69	43%	0.425	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-43.5	172.7	-74.5	174.3	163.4	0	0	110.9	K86 H87 T93 H94	K86-E90 WeakPolarHBondContact CE-OE1 3.44Å; K86-E90 HydrophobicContact CG-CG 4.34Å; K86-E90 IonicContact NZ-OE1 2.67Å; K86-E90 WeakPolarHBondContact O-CB 3.5Å; K86-E90 WeakPolarHBondContact O-CG 3.12Å; K86-E90 PolarHBondContact O-N 2.95Å; H87-E90 PolarHBondContact O-N 3.43Å; E90-T93 PolarHBondContact O-N 3.18Å; E90-H94 WeakPolarHBondContact O-CB 3.34Å; E90-H94 PolarHBondContact O-N 3.37Å
91	E	95.9	Very high	94.3	Very high	96 Å²	96	70.5 Å²	70.5	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-49	173.7	-175.6	179.8	-171.1	0	0	111.8	H87 H88 T93 H94 Q95	H87-E91 PolarHBondContact O-N 2.89Å; H88-E91 PolarHBondContact O-N 3.31Å; E91-T93 VanDerWaalsContact C-N 3.32Å; E91-T93 PolarHBondContact O-N 2.98Å; E91-H94 PolarHBondContact O-N 3.42Å; E91-Q95 WeakPolarHBondContact O-CG 3.22Å; E91-Q95 PolarHBondContact O-N 3.39Å
92	L	94.1	Very high	93.8	Very high	50 Å²	50	72.5 Å²	72.5	26%	0.262	39%	0.387	S	S	.	.	H	α-helix	trans	-57.9	-45.7	178	-179.5	67.5	0	0	0	111.5	H88 I89 Q95 D96 L105 W113	H88-L92 WeakPolarHBondContact O-CB 3.24Å; H88-L92 PolarHBondContact O-N 2.84Å; I89-L92 PolarHBondContact O-N 2.96Å; L92-Q95 PolarHBondContact O-N 3.13Å; L92-D96 WeakPolarHBondContact O-CB 3.39Å; L92-D96 PolarHBondContact O-N 3.02Å; L92-L105 HydrophobicContact CD2-CD2 3.95Å; L92-L105 HydrophobicContact CG-CD2 4.46Å; L92-W113 HydrophobicContact CD2-CD2 4.19Å; L92-W113 HydrophobicContact CD2-CG 4.3Å
93	T	93.6	Very high	93.3	Very high	18 Å²	18	79.3 Å²	79.3	11%	0.11	42%	0.417	C	S	.	.	H	α-helix	trans	-72	-33.1	-178.9	-50.7	0	0	0	0	111.6	V67 N68 I89 E90 E91 S97	V67-T93 HydrophobicContact CG1-CG2 4.47Å; V67-T93 WeakPolarHBondContact CG1-OG1 3.41Å; V67-T93 WeakPolarHBondContact O-CG2 3.28Å; N68-T93 HydrophobicContact CB-CG2 4.09Å; I89-T93 WeakPolarHBondContact O-CB 3.32Å; I89-T93 PolarHBondContact O-N 2.97Å; I89-T93 PolarHBondContact O-OG1 3.36Å; E90-T93 PolarHBondContact O-N 3.18Å; E91-T93 VanDerWaalsContact C-N 3.32Å; E91-T93 PolarHBondContact O-N 2.98Å; T93-S97 WeakPolarHBondContact O-CB 3.44Å; T93-S97 PolarHBondContact O-N 2.9Å
94	H	93.2	Very high	92.9	Very high	113 Å²	113	83.4 Å²	83.4	52%	0.523	43%	0.428	S	S	.	.	H	α-helix	trans	-64.9	-45.5	173.8	-174.9	56.9	0	0	0	110.9	E90 E91 D96 S97 L98	E90-H94 WeakPolarHBondContact O-CB 3.34Å; E90-H94 PolarHBondContact O-N 3.37Å; E91-H94 PolarHBondContact O-N 3.42Å; H94-D96 PolarHBondContact O-N 2.88Å; H94-S97 PolarHBondContact O-N 3.46Å; H94-S97 PolarHBondContact O-OG 3.41Å; H94-L98 WeakPolarHBondContact O-CG 3.5Å; H94-L98 PolarHBondContact O-N 3.01Å
95	Q	92.6	Very high	92.8	Very high	102 Å²	102	80.3 Å²	80.3	48%	0.477	42%	0.415	S	S	.	.	H	α-helix	trans	-59.9	-46	175.1	-71	177.7	-1.8	0	0	112.1	E91 L92 S97 L98 L99	E91-Q95 WeakPolarHBondContact O-CG 3.22Å; E91-Q95 PolarHBondContact O-N 3.39Å; L92-Q95 PolarHBondContact O-N 3.13Å; Q95-S97 VanDerWaalsContact C-N 3.28Å; Q95-S97 PolarHBondContact O-N 2.86Å; Q95-L98 PolarHBondContact O-N 3.32Å; Q95-L98 VanDerWaalsContact O-N 3.13Å; Q95-L99 PolarHBondContact O-N 3.39Å; Q95-L99 VanDerWaalsContact O-N 3.14Å
96	D	91	Very high	92.7	Very high	38 Å²	38	81.7 Å²	81.7	20%	0.203	43%	0.425	C	S	.	.	H	α-helix	trans	-54.9	-44.2	174	-169.7	63	0	0	0	111.3	L92 H94 L98 L99 R104 L105	L92-D96 WeakPolarHBondContact O-CB 3.39Å; L92-D96 PolarHBondContact O-N 3.02Å; H94-D96 PolarHBondContact O-N 2.88Å; D96-L98 PolarHBondContact O-N 3.28Å; D96-L99 PolarHBondContact O-N 3.35Å; D96-R104 WeakPolarHBondContact OD2-CA 3.22Å; D96-L105 PolarHBondContact OD2-N 2.85Å
97	S	90	Very high	92.7	Very high	65 Å²	65	78.7 Å²	78.7	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-35.3	177.7	77.3	0	0	0	0	113.7	T93 H94 Q95 S100	T93-S97 WeakPolarHBondContact O-CB 3.44Å; T93-S97 PolarHBondContact O-N 2.9Å; H94-S97 PolarHBondContact O-N 3.46Å; H94-S97 PolarHBondContact O-OG 3.41Å; Q95-S97 VanDerWaalsContact C-N 3.28Å; Q95-S97 PolarHBondContact O-N 2.86Å; S97-S100 PolarHBondContact O-N 3.48Å; S97-S100 PolarHBondContact O-OG 3.18Å
98	L	92.5	Very high	92.7	Very high	116 Å²	116	77.8 Å²	77.8	61%	0.607	41%	0.408	S	S	*	.	H	α-helix	trans	-71.6	-31.6	179.7	-70.9	175.1	0	0	0	112.5	H94 Q95 D96 S100	H94-L98 WeakPolarHBondContact O-CG 3.5Å; H94-L98 PolarHBondContact O-N 3.01Å; Q95-L98 PolarHBondContact O-N 3.32Å; Q95-L98 VanDerWaalsContact O-N 3.13Å; D96-L98 PolarHBondContact O-N 3.28Å; L98-S100 PolarHBondContact O-N 2.88Å
99	L	91.5	Very high	92.7	Very high	123 Å²	123	76.7 Å²	76.7	64%	0.644	41%	0.41	S	S	*	.	H	α-helix	trans	-63	-34.6	175.9	-69.5	172.3	0	0	0	111.5	Q95 D96 D101	Q95-L99 PolarHBondContact O-N 3.39Å; Q95-L99 VanDerWaalsContact O-N 3.14Å; D96-L99 PolarHBondContact O-N 3.35Å; L99-D101 PolarHBondContact O-N 3.04Å
100	S	84.8	Confident	92.7	Very high	102 Å²	102	76.7 Å²	76.7	71%	0.713	41%	0.41	S	S	*	.			trans	50.6	33.3	174.4	-73.1	0	0	0	0	113.5	S97 L98 G102	S97-S100 PolarHBondContact O-N 3.48Å; S97-S100 PolarHBondContact O-OG 3.18Å; L98-S100 PolarHBondContact O-N 2.88Å; S100-G102 PolarHBondContact O-N 3.14Å
101	D	90.7	Very high	92.8	Very high	89 Å²	89	72.8 Å²	72.8	48%	0.476	39%	0.392	S	S	.	.	S	Bend	trans	-85	2.1	-178.7	62.9	3.8	0	0	0	113.1	L99 F103	L99-D101 PolarHBondContact O-N 3.04Å; D101-F103 VanDerWaalsContact C-N 3.3Å; D101-F103 HydrophobicContact CB-CD2 4.35Å; D101-F103 WeakPolarHBondContact OD1-CB 3.4Å; D101-F103 PolarHBondContact OD1-N 3.48Å
102	G	85.8	Confident	92.9	Very high	73 Å²	73	70.2 Å²	70.2	75%	0.753	38%	0.384	S	S	*	.	S	Bend	trans	87.7	-7.7	-178.6	0	0	0	0	0	113.9	S100	S100-G102 PolarHBondContact O-N 3.14Å
103	F	86.9	Confident	93	Very high	151 Å²	151	71.5 Å²	71.5	66%	0.662	39%	0.386	S	S	*	.			trans	-80.2	151.1	169.8	-64.6	-79.5	0	0	0	110.2	D101	D101-F103 VanDerWaalsContact C-N 3.3Å; D101-F103 HydrophobicContact CB-CD2 4.35Å; D101-F103 WeakPolarHBondContact OD1-CB 3.4Å; D101-F103 PolarHBondContact OD1-N 3.48Å
104	R	88.1	Confident	93.2	Very high	189 Å²	189	70.7 Å²	70.7	71%	0.713	38%	0.38	S	S	*	.			trans	-136.4	141.6	174.3	-66.8	-177.5	-178.9	136.6	1.7	108.1	D96 S106	D96-R104 WeakPolarHBondContact OD2-CA 3.22Å; R104-S106 PolarHBondContact O-N 2.95Å
105	L	93.2	Very high	93.4	Very high	26 Å²	26	66.4 Å²	66.4	14%	0.136	36%	0.362	C	S	.	.			trans	-57.1	106.6	174.4	-172	65.9	0	0	0	111.7	V67 N68 L92 D96 A109 L110	V67-L105 HydrophobicContact CG1-CD2 4.48Å; N68-L105 PolarHBondContact ND2-O 3.13Å; L92-L105 HydrophobicContact CD2-CD2 3.95Å; L92-L105 HydrophobicContact CG-CD2 4.46Å; D96-L105 PolarHBondContact OD2-N 2.85Å; L105-A109 HydrophobicContact CD1-CB 3.8Å; L105-L110 HydrophobicContact CD2-CB 4.05Å; L105-L110 HydrophobicContact CD2-CD1 3.89Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; L105-L110 HydrophobicContact CG-CB 4.15Å
106	S	95.9	Very high	93.7	Very high	30 Å²	30	70.3 Å²	70.3	21%	0.21	37%	0.373	C	S	.	.			trans	-71.4	156.9	178.5	99.6	0	0	0	0	111.3	R104 H108 A109 L110 E138	R104-S106 PolarHBondContact O-N 2.95Å; S106-H108 VanDerWaalsContact C-N 3.29Å; S106-H108 PolarHBondContact O-N 2.98Å; S106-H108 PolarHBondContact OG-N 3.33Å; S106-A109 PolarHBondContact O-N 2.87Å; S106-A109 VanDerWaalsContact O-N 3.14Å; S106-A109 PolarHBondContact OG-N 3.46Å; S106-A109 VanDerWaalsContact OG-N 3.14Å; S106-L110 PolarHBondContact O-N 3.19Å; S106-E138 VanDerWaalsContact CB-OE2 3.28Å; S106-E138 WeakPolarHBondContact CB-OE2 3.42Å; S106-E138 PolarHBondContact OG-OE2 2.94Å; S106-E138 VanDerWaalsContact OG-OE2 3.09Å
107	P	97.9	Very high	94	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-36.5	178.8	24.8	-31.6	0	0	0	111.8	T71 H111 V134 L137 E138 F144	T71-P107 HydrophobicContact CG2-CB 3.94Å; T71-P107 WeakPolarHBondContact OG1-CD 3.43Å; P107-H111 VanDerWaalsContact O-CB 3.3Å; P107-H111 WeakPolarHBondContact O-CB 3.45Å; P107-H111 PolarHBondContact O-N 2.91Å; P107-V134 HydrophobicContact CB-CG1 4Å; P107-V134 WeakPolarHBondContact O-CG1 3.44Å; P107-L137 WeakPolarHBondContact CD-O 3.34Å; P107-E138 HydrophobicContact CG-CG 4.47Å; P107-E138 WeakPolarHBondContact CG-OE1 3.49Å; P107-F144 HydrophobicContact CB-CB 4.27Å; P107-F144 HydrophobicContact CB-CD1 3.77Å; P107-F144 HydrophobicContact CB-CG 4.28Å; P107-F144 HydrophobicContact CG-CB 3.89Å; P107-F144 HydrophobicContact CG-CD1 4.24Å; P107-F144 HydrophobicContact CG-CG 4.25Å
108	H	97.6	Very high	94.3	Very high	99 Å²	99	66.9 Å²	66.9	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-41.9	171.3	-174.6	81.8	0	0	0	113.2	S106 H111 S112 E138 F144	S106-H108 VanDerWaalsContact C-N 3.29Å; S106-H108 PolarHBondContact O-N 2.98Å; S106-H108 PolarHBondContact OG-N 3.33Å; H108-H111 PolarHBondContact O-N 3.1Å; H108-S112 WeakPolarHBondContact O-CB 3.25Å; H108-S112 PolarHBondContact O-N 3.21Å; H108-E138 WeakPolarHBondContact CB-OE1 3.28Å; H108-E138 PolarHBondContact N-OE1 3.43Å; H108-F144 HydrophobicContact CB-CD2 4.18Å; H108-F144 HydrophobicContact CB-CE2 3.82Å; H108-F144 HydrophobicContact CB-CZ 4Å; H108-F144 AromaticContact CG-CE2 3.98Å; H108-F144 AromaticContact ND1-CE2 3.32Å; H108-F144 VanDerWaalsContact ND1-CE2 3.32Å; H108-F144 WeakPolarHBondContact ND1-CE2 3.39Å; H108-F144 AromaticContact ND1-CZ 3.62Å
109	A	96.8	Very high	94.5	Very high	40 Å²	40	67.3 Å²	67.3	33%	0.331	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-44.8	178	0	0	0	0	0	111.6	L105 S106 S112 W113	L105-A109 HydrophobicContact CD1-CB 3.8Å; S106-A109 PolarHBondContact O-N 2.87Å; S106-A109 VanDerWaalsContact O-N 3.14Å; S106-A109 PolarHBondContact OG-N 3.46Å; S106-A109 VanDerWaalsContact OG-N 3.14Å; A109-S112 PolarHBondContact O-N 2.78Å; A109-W113 PolarHBondContact O-N 3.3Å
110	L	97.9	Very high	94.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-46.9	174	178.1	66.8	0	0	0	111.5	V67 T71 I89 L105 S106 S112 W113 I114 V134	V67-L110 HydrophobicContact CB-CD2 4.29Å; V67-L110 HydrophobicContact CG1-CD2 4.06Å; V67-L110 HydrophobicContact CG2-CD2 3.7Å; T71-L110 HydrophobicContact CG2-CD2 3.62Å; I89-L110 HydrophobicContact CD1-CD1 4.08Å; I89-L110 HydrophobicContact CG1-CD1 4.01Å; I89-L110 HydrophobicContact CG2-CD1 3.88Å; L105-L110 HydrophobicContact CD2-CB 4.05Å; L105-L110 HydrophobicContact CD2-CD1 3.89Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; L105-L110 HydrophobicContact CG-CB 4.15Å; S106-L110 PolarHBondContact O-N 3.19Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 2.66Å; L110-W113 HydrophobicContact CD1-CE3 4.46Å; L110-W113 WeakPolarHBondContact O-CB 3.37Å; L110-W113 PolarHBondContact O-N 3.17Å; L110-I114 HydrophobicContact CD1-CD1 4.08Å; L110-I114 HydrophobicContact CD1-CG1 4.23Å; L110-I114 HydrophobicContact CD2-CD1 4.34Å; L110-I114 HydrophobicContact CG-CD1 3.83Å; L110-I114 HydrophobicContact CG-CG1 4.37Å; L110-I114 WeakPolarHBondContact O-CG1 3.28Å; L110-I114 PolarHBondContact O-N 2.89Å; L110-V134 HydrophobicContact CD2-CG1 3.96Å; L110-V134 HydrophobicContact CD2-CG2 4.11Å; L110-V134 HydrophobicContact CG-CG1 4.49Å; L110-V134 HydrophobicContact CG-CG2 4.3Å
111	H	98.2	Very high	95.3	Very high	9 Å²	9	63 Å²	63	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-41.4	178.6	173.7	-105.4	0	0	0	112.6	P107 H108 I114 T115 V134 F144 G146 Y147	P107-H111 VanDerWaalsContact O-CB 3.3Å; P107-H111 WeakPolarHBondContact O-CB 3.45Å; P107-H111 PolarHBondContact O-N 2.91Å; H108-H111 PolarHBondContact O-N 3.1Å; H111-I114 PolarHBondContact O-N 3.3Å; H111-T115 PolarHBondContact O-N 2.87Å; H111-T115 PolarHBondContact O-OG1 3.4Å; H111-V134 HydrophobicContact CB-CB 4.25Å; H111-V134 HydrophobicContact CB-CG2 4.25Å; H111-F144 HydrophobicContact CB-CE1 3.86Å; H111-F144 HydrophobicContact CB-CZ 4.06Å; H111-F144 AromaticContact ND1-CZ 3.93Å; H111-G146 VanDerWaalsContact CD2-C 3.48Å; H111-G146 VanDerWaalsContact CD2-CA 3.47Å; H111-G146 WeakPolarHBondContact CD2-CA 3.21Å; H111-Y147 PolarHBondContact NE2-N 3.3Å; H111-Y147 PolarHBondContact NE2-O 2.93Å
112	S	97.9	Very high	95.4	Very high	42 Å²	42	64.1 Å²	64.1	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-43	174.6	-173.7	0	0	0	0	111.9	H108 A109 L110 T115 R116	H108-S112 WeakPolarHBondContact O-CB 3.25Å; H108-S112 PolarHBondContact O-N 3.21Å; A109-S112 PolarHBondContact O-N 2.78Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 2.66Å; S112-T115 PolarHBondContact O-N 2.94Å; S112-R116 WeakPolarHBondContact O-CG 3.46Å; S112-R116 PolarHBondContact O-N 2.77Å
113	W	97.6	Very high	95.9	Very high	77 Å²	77	63.8 Å²	63.8	29%	0.292	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-49	175.7	-178.6	92.2	0	0	0	111.8	H88 I89 L92 A109 L110 T115 R116 V117	H88-W113 HydrophobicContact CB-CH2 4.05Å; I89-W113 HydrophobicContact CD1-CZ3 4.14Å; I89-W113 HydrophobicContact CG1-CE3 4.31Å; I89-W113 HydrophobicContact CG1-CH2 4.15Å; I89-W113 HydrophobicContact CG1-CZ3 3.57Å; L92-W113 HydrophobicContact CD2-CD2 4.19Å; L92-W113 HydrophobicContact CD2-CG 4.3Å; A109-W113 PolarHBondContact O-N 3.3Å; L110-W113 HydrophobicContact CD1-CE3 4.46Å; L110-W113 WeakPolarHBondContact O-CB 3.37Å; L110-W113 PolarHBondContact O-N 3.17Å; W113-T115 VanDerWaalsContact C-N 3.28Å; W113-T115 PolarHBondContact O-N 3.48Å; W113-R116 PolarHBondContact O-N 2.87Å; W113-R116 VanDerWaalsContact O-N 3.1Å; W113-V117 HydrophobicContact CD2-CG2 3.81Å; W113-V117 HydrophobicContact CE3-CG2 3.93Å; W113-V117 HydrophobicContact CH2-CG2 3.75Å; W113-V117 HydrophobicContact CZ2-CG2 3.61Å; W113-V117 HydrophobicContact CZ3-CG2 3.89Å; W113-V117 WeakPolarHBondContact O-CG2 3.46Å; W113-V117 PolarHBondContact O-N 3.42Å
114	I	97.7	Very high	96.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.1	-43.8	177.7	-69.1	169.2	0	0	0	110.5	M73 I89 L110 H111 R116 V117 L118 C132 V134 C148	M73-I114 HydrophobicContact CE-CD1 3.8Å; M73-I114 HydrophobicContact SD-CD1 3.49Å; M73-I114 WeakPolarHBondContact SD-CD1 3.35Å; I89-I114 HydrophobicContact CD1-CD1 4.19Å; I89-I114 HydrophobicContact CD1-CG1 4.29Å; L110-I114 HydrophobicContact CD1-CD1 4.08Å; L110-I114 HydrophobicContact CD1-CG1 4.23Å; L110-I114 HydrophobicContact CD2-CD1 4.34Å; L110-I114 HydrophobicContact CG-CD1 3.83Å; L110-I114 HydrophobicContact CG-CG1 4.37Å; L110-I114 WeakPolarHBondContact O-CG1 3.28Å; L110-I114 PolarHBondContact O-N 2.89Å; H111-I114 PolarHBondContact O-N 3.3Å; I114-R116 VanDerWaalsContact C-N 3.29Å; I114-R116 PolarHBondContact O-N 3.41Å; I114-V117 PolarHBondContact O-N 2.88Å; I114-L118 HydrophobicContact CG2-CD1 3.75Å; I114-L118 HydrophobicContact CG2-CG 4.05Å; I114-L118 WeakPolarHBondContact O-CG 3.1Å; I114-L118 PolarHBondContact O-N 3.42Å; I114-C132 HydrophobicContact CG2-CB 4.04Å; I114-V134 HydrophobicContact CD1-CG2 3.55Å; I114-C148 HydrophobicContact CG2-CB 4.23Å
115	T	97.6	Very high	96.4	Very high	24 Å²	24	62.3 Å²	62.3	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-56.3	-44.9	178	-59.7	0	0	0	0	111.6	H111 S112 W113 Y119 C148 S154	H111-T115 PolarHBondContact O-N 2.87Å; H111-T115 PolarHBondContact O-OG1 3.4Å; S112-T115 PolarHBondContact O-N 2.94Å; W113-T115 VanDerWaalsContact C-N 3.28Å; W113-T115 PolarHBondContact O-N 3.48Å; T115-Y119 WeakPolarHBondContact O-CB 3.34Å; T115-Y119 PolarHBondContact O-N 2.88Å; T115-C148 VanDerWaalsContact CA-SG 3.54Å; T115-C148 PolarHBondContact OG1-SG 3.14Å; T115-S154 WeakPolarHBondContact CG2-OG 3.31Å; T115-S154 WeakPolarHBondContact OG1-CB 3.36Å; T115-S154 PolarHBondContact OG1-OG 2.79Å
116	R	97.3	Very high	96.3	Very high	183 Å²	183	64 Å²	64	69%	0.691	30%	0.302	S	S	*	.	H	α-helix	trans	-68	-40.6	178.7	-66.1	174.6	-175.3	-152	-0.2	112.1	S112 W113 I114 N120	S112-R116 WeakPolarHBondContact O-CG 3.46Å; S112-R116 PolarHBondContact O-N 2.77Å; W113-R116 PolarHBondContact O-N 2.87Å; W113-R116 VanDerWaalsContact O-N 3.1Å; I114-R116 VanDerWaalsContact C-N 3.29Å; I114-R116 PolarHBondContact O-N 3.41Å; R116-N120 WeakPolarHBondContact O-CB 3.27Å; R116-N120 PolarHBondContact O-N 2.92Å
117	V	97.1	Very high	96.2	Very high	31 Å²	31	64 Å²	64	19%	0.188	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-51.9	176.8	171.6	0	0	0	0	110.5	L85 W113 I114 Y119 N120 R121 L128	L85-V117 HydrophobicContact CD2-CG1 4.13Å; W113-V117 HydrophobicContact CD2-CG2 3.81Å; W113-V117 HydrophobicContact CE3-CG2 3.93Å; W113-V117 HydrophobicContact CH2-CG2 3.75Å; W113-V117 HydrophobicContact CZ2-CG2 3.61Å; W113-V117 HydrophobicContact CZ3-CG2 3.89Å; W113-V117 WeakPolarHBondContact O-CG2 3.46Å; W113-V117 PolarHBondContact O-N 3.42Å; I114-V117 PolarHBondContact O-N 2.88Å; V117-Y119 PolarHBondContact O-N 3.49Å; V117-N120 PolarHBondContact O-N 3.04Å; V117-R121 HydrophobicContact CG1-CG 4.41Å; V117-R121 WeakPolarHBondContact O-CB 3.33Å; V117-R121 WeakPolarHBondContact O-CG 3.26Å; V117-R121 PolarHBondContact O-N 2.99Å; V117-L128 HydrophobicContact CG1-CD1 4.32Å
118	L	97.3	Very high	96.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-43.5	-179.6	-65.5	-176.5	0	0	0	111.7	L85 I114 N120 R121 R122 L128 C148 S149	L85-L118 HydrophobicContact CD1-CD2 4.36Å; I114-L118 HydrophobicContact CG2-CD1 3.75Å; I114-L118 HydrophobicContact CG2-CG 4.05Å; I114-L118 WeakPolarHBondContact O-CG 3.1Å; I114-L118 PolarHBondContact O-N 3.42Å; L118-N120 PolarHBondContact O-N 3.1Å; L118-R121 PolarHBondContact O-N 3.23Å; L118-R122 WeakPolarHBondContact O-CB 2.92Å; L118-R122 PolarHBondContact O-N 3.16Å; L118-L128 HydrophobicContact CD2-CB 3.75Å; L118-L128 HydrophobicContact CD2-CD1 4.05Å; L118-L128 HydrophobicContact CD2-CG 4.39Å; L118-C148 HydrophobicContact CD1-CB 4.34Å; L118-S149 WeakPolarHBondContact CD1-O 3.45Å
119	Y	97.4	Very high	96	Very high	125 Å²	125	63.2 Å²	63.2	49%	0.49	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-40	176.8	-171.5	-100	0	0	0	112.8	T115 V117 S123	T115-Y119 WeakPolarHBondContact O-CB 3.34Å; T115-Y119 PolarHBondContact O-N 2.88Å; V117-Y119 PolarHBondContact O-N 3.49Å; Y119-S123 WeakPolarHBondContact O-CB 3.4Å; Y119-S123 PolarHBondContact O-N 2.87Å; Y119-S123 PolarHBondContact O-OG 2.83Å
120	N	97.2	Very high	96	Very high	86 Å²	86	61.4 Å²	61.4	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-47.8	176	-178.9	-87.7	0	0	0	111.5	R116 V117 L118 R122 S123 R124	R116-N120 WeakPolarHBondContact O-CB 3.27Å; R116-N120 PolarHBondContact O-N 2.92Å; V117-N120 PolarHBondContact O-N 3.04Å; L118-N120 PolarHBondContact O-N 3.1Å; N120-R122 PolarHBondContact O-N 3.15Å; N120-S123 PolarHBondContact O-N 2.88Å; N120-S123 VanDerWaalsContact O-N 3.14Å; N120-R124 WeakPolarHBondContact O-CG 3.2Å; N120-R124 PolarHBondContact O-N 3.42Å
121	R	95.4	Very high	96	Very high	50 Å²	50	62.6 Å²	62.6	19%	0.189	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-46.5	177.1	-71	-70.5	-65.4	138.5	-0.7	111.4	V117 L118 S123 R124 L125 Q126 L128	V117-R121 HydrophobicContact CG1-CG 4.41Å; V117-R121 WeakPolarHBondContact O-CB 3.33Å; V117-R121 WeakPolarHBondContact O-CG 3.26Å; V117-R121 PolarHBondContact O-N 2.99Å; L118-R121 PolarHBondContact O-N 3.23Å; R121-S123 PolarHBondContact O-N 2.88Å; R121-R124 PolarHBondContact O-N 2.92Å; R121-L125 PolarHBondContact O-N 2.9Å; R121-Q126 CarbonylContact C-O 3.59Å; R121-Q126 VanDerWaalsContact CB-O 3.31Å; R121-Q126 WeakPolarHBondContact CB-O 3.44Å; R121-Q126 PolarHBondContact NE-O 3.27Å; R121-Q126 VanDerWaalsContact NE-O 3.12Å; R121-Q126 PolarHBondContact NH1-O 3.45Å; R121-Q126 VanDerWaalsContact NH1-O 3.16Å; R121-Q126 PolarHBondContact NH2-O 2.82Å; R121-Q126 CarbonylContact O-C 3.53Å; R121-Q126 PolarHBondContact O-N 2.96Å; R121-Q126 VanDerWaalsContact O-O 3.1Å; R121-L128 HydrophobicContact CB-CG 4.37Å; R121-L128 HydrophobicContact CG-CD1 4.05Å; R121-L128 HydrophobicContact CG-CG 4.03Å
122	R	93.4	Very high	96	Very high	112 Å²	112	62.2 Å²	62.2	42%	0.423	29%	0.285	S	S	.	.	H	α-helix	trans	-58.1	-44.6	172.8	176.4	-99.7	175.9	-173.2	-0.9	112.6	L118 N120 R124 L125 L151	L118-R122 WeakPolarHBondContact O-CB 2.92Å; L118-R122 PolarHBondContact O-N 3.16Å; N120-R122 PolarHBondContact O-N 3.15Å; R122-R124 PolarHBondContact O-N 3.04Å; R122-L125 PolarHBondContact O-N 3.24Å; R122-L151 HydrophobicContact CG-CD2 4.08Å
123	S	95	Very high	96	Very high	65 Å²	65	60.2 Å²	60.2	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-24.8	-179.4	-58.9	0	0	0	0	112.9	Y119 N120 R121 L125	Y119-S123 WeakPolarHBondContact O-CB 3.4Å; Y119-S123 PolarHBondContact O-N 2.87Å; Y119-S123 PolarHBondContact O-OG 2.83Å; N120-S123 PolarHBondContact O-N 2.88Å; N120-S123 VanDerWaalsContact O-N 3.14Å; R121-S123 PolarHBondContact O-N 2.88Å; S123-L125 VanDerWaalsContact C-N 3.28Å
124	R	93.8	Very high	96.1	Very high	152 Å²	152	56.6 Å²	56.6	57%	0.574	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	10.1	173.3	-66.8	177.1	61.8	-165.2	-1.7	113.7	N120 R121 R122 Q126	N120-R124 WeakPolarHBondContact O-CG 3.2Å; N120-R124 PolarHBondContact O-N 3.42Å; R121-R124 PolarHBondContact O-N 2.92Å; R122-R124 PolarHBondContact O-N 3.04Å; R124-Q126 PolarHBondContact O-N 2.94Å; R124-Q126 VanDerWaalsContact O-N 3.12Å
125	L	91.5	Very high	96.1	Very high	157 Å²	157	56.6 Å²	56.6	82%	0.822	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	28.6	-175	-58.2	176.2	0	0	0	113.4	R121 R122 S123	R121-L125 PolarHBondContact O-N 2.9Å; R122-L125 PolarHBondContact O-N 3.24Å; S123-L125 VanDerWaalsContact C-N 3.28Å
126	Q	91.6	Very high	96.1	Very high	61 Å²	61	55.4 Å²	55.4	29%	0.285	25%	0.251	S	S	.	.			trans	-133	67.8	175.7	-67.5	-178.6	-2	0	0	107.6	R121 R124	R121-Q126 CarbonylContact C-O 3.59Å; R121-Q126 VanDerWaalsContact CB-O 3.31Å; R121-Q126 WeakPolarHBondContact CB-O 3.44Å; R121-Q126 PolarHBondContact NE-O 3.27Å; R121-Q126 VanDerWaalsContact NE-O 3.12Å; R121-Q126 PolarHBondContact NH1-O 3.45Å; R121-Q126 VanDerWaalsContact NH1-O 3.16Å; R121-Q126 PolarHBondContact NH2-O 2.82Å; R121-Q126 CarbonylContact O-C 3.53Å; R121-Q126 PolarHBondContact O-N 2.96Å; R121-Q126 VanDerWaalsContact O-O 3.1Å; R124-Q126 PolarHBondContact O-N 2.94Å; R124-Q126 VanDerWaalsContact O-N 3.12Å
127	P	94.3	Very high	96.2	Very high	31 Å²	31	47.3 Å²	47.3	20%	0.201	22%	0.221	C	C	.	.			trans	-68.3	157.2	-176.6	33	-37.3	0	0	0	111.1	M150	P127-M150 HydrophobicContact CB-CE 4.32Å; P127-M150 HydrophobicContact CB-CG 3.5Å; P127-M150 VanDerWaalsContact CB-CG 3.5Å; P127-M150 HydrophobicContact CB-SD 3.53Å; P127-M150 VanDerWaalsContact CB-SD 3.53Å; P127-M150 HydrophobicContact CG-CE 4.3Å; P127-M150 HydrophobicContact CG-CG 4.41Å; P127-M150 HydrophobicContact CG-SD 3.82Å
128	L	95.5	Very high	96.1	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	22%	0.222	C	C	.	.			trans	-94.5	120.1	166.2	-63.2	174	0	0	0	107.4	D81 F84 L85 V117 L118 R121 N130 M150	D81-L128 HydrophobicContact CB-CB 4.16Å; D81-L128 HydrophobicContact CB-CD2 4.07Å; D81-L128 WeakPolarHBondContact OD1-CD2 3.15Å; D81-L128 WeakPolarHBondContact OD2-CA 3.07Å; F84-L128 HydrophobicContact CD1-CD1 3.95Å; F84-L128 HydrophobicContact CD1-CD2 4.01Å; F84-L128 HydrophobicContact CE1-CD1 4Å; F84-L128 HydrophobicContact CE1-CD2 4.32Å; L85-L128 HydrophobicContact CD1-CD1 4.23Å; L85-L128 HydrophobicContact CD2-CD1 3.57Å; L85-L128 HydrophobicContact CG-CD1 3.82Å; V117-L128 HydrophobicContact CG1-CD1 4.32Å; L118-L128 HydrophobicContact CD2-CB 3.75Å; L118-L128 HydrophobicContact CD2-CD1 4.05Å; L118-L128 HydrophobicContact CD2-CG 4.39Å; R121-L128 HydrophobicContact CB-CG 4.37Å; R121-L128 HydrophobicContact CG-CD1 4.05Å; R121-L128 HydrophobicContact CG-CG 4.03Å; L128-N130 PolarHBondContact O-N 3.49Å; L128-M150 WeakPolarHBondContact O-CB 3.31Å; L128-M150 WeakPolarHBondContact O-CG 3.47Å
129	W	95.6	Very high	95.9	Very high	80 Å²	80	53.3 Å²	53.3	30%	0.303	27%	0.266	S	S	.	.			trans	-75.2	47.3	-170.4	-70.6	86.1	0	0	0	113.7	M24 P26 G77 D78 D81 M150	M24-W129 VanDerWaalsContact O-CZ2 3.26Å; M24-W129 WeakPolarHBondContact O-CZ2 3.39Å; P26-W129 HydrophobicContact CB-CB 3.91Å; P26-W129 HydrophobicContact CB-CD2 4.35Å; P26-W129 HydrophobicContact CB-CG 4.1Å; P26-W129 HydrophobicContact CG-CB 4.37Å; P26-W129 HydrophobicContact CG-CD2 4.05Å; P26-W129 HydrophobicContact CG-CE3 3.8Å; P26-W129 HydrophobicContact CG-CG 4.32Å; P26-W129 HydrophobicContact CG-CZ3 4.38Å; G77-W129 CarbonylContact C-O 3.58Å; G77-W129 WeakPolarHBondContact CA-O 3.48Å; D78-W129 HydrophobicContact CB-CB 3.8Å; D78-W129 PolarHBondContact N-O 2.75Å; D81-W129 PolarHBondContact OD2-N 2.87Å; W129-M150 WeakPolarHBondContact CA-SD 3.5Å; W129-M150 HydrophobicContact CB-SD 4.08Å; W129-M150 HydrophobicContact CD2-CE 4Å; W129-M150 HydrophobicContact CD2-SD 3.5Å; W129-M150 VanDerWaalsContact CD2-SD 3.5Å; W129-M150 HydrophobicContact CE3-CE 3.67Å; W129-M150 HydrophobicContact CE3-SD 3.69Å; W129-M150 HydrophobicContact CG-SD 3.69Å; W129-M150 HydrophobicContact CH2-CE 4.2Å; W129-M150 HydrophobicContact CZ2-CE 4.46Å; W129-M150 HydrophobicContact CZ3-CE 3.79Å; W129-M150 HydrophobicContact CZ3-SD 4.39Å
130	N	97	Very high	95.7	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149.8	177.9	-61.7	112.4	0	0	0	112.8	C75 S76 D78 D81 F82 L85 L128 M150	C75-N130 HydrophobicContact CB-CB 4.46Å; S76-N130 WeakPolarHBondContact O-CA 3.44Å; S76-N130 WeakPolarHBondContact O-CB 3.38Å; S76-N130 PolarHBondContact O-ND2 2.83Å; D78-N130 PolarHBondContact N-ND2 3.24Å; D78-N130 PolarHBondContact O-ND2 3.48Å; D81-N130 WeakPolarHBondContact CB-OD1 3.4Å; F82-N130 PolarHBondContact N-OD1 3.37Å; F82-N130 VanDerWaalsContact N-OD1 3.15Å; L85-N130 HydrophobicContact CD1-CB 4.32Å; L128-N130 PolarHBondContact O-N 3.49Å; N130-M150 WeakPolarHBondContact O-CA 3.24Å; N130-M150 WeakPolarHBondContact O-CB 3.45Å; N130-M150 PolarHBondContact O-N 2.65Å
131	T	97.8	Very high	95.6	Very high	24 Å²	24	49.8 Å²	49.8	15%	0.147	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.8	154.3	-59.7	0	0	0	0	107.5	C75 S76 Y147 C148 T162	C75-T131 WeakPolarHBondContact CA-O 3.34Å; S76-T131 PolarHBondContact N-O 2.88Å; S76-T131 PolarHBondContact O-N 2.78Å; S76-T131 VanDerWaalsContact O-N 3.16Å; S76-T131 WeakPolarHBondContact OG-CB 3.48Å; S76-T131 PolarHBondContact OG-O 3.34Å; T131-Y147 HydrophobicContact CG2-CD1 4.49Å; T131-Y147 HydrophobicContact CG2-CD2 4.16Å; T131-Y147 HydrophobicContact CG2-CE1 3.85Å; T131-Y147 HydrophobicContact CG2-CE2 3.46Å; T131-Y147 VanDerWaalsContact CG2-CE2 3.46Å; T131-Y147 WeakPolarHBondContact CG2-OH 3.47Å; T131-C148 CarbonylContact C-O 3.57Å; T131-C148 WeakPolarHBondContact CA-O 3.19Å; T131-T162 HydrophobicContact CG2-CG2 3.54Å
132	C	98	Very high	95.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.6	-173.7	-56.5	0	0	0	0	109.8	M73 C75 I114 C148	M73-C132 HydrophobicContact CE-CB 3.87Å; M73-C132 VanDerWaalsContact CE-SG 3.54Å; C75-C132 PolarHBondContact SG-SG 3.44Å; I114-C132 HydrophobicContact CG2-CB 4.04Å; C132-C148 PolarHBondContact N-O 3.07Å; C132-C148 PolarHBondContact O-N 3.42Å
133	L	98.3	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.9	164.6	-62.6	-174.6	0	0	0	108.9	V33 M73 C74 G146 Y147 V160 T162	V33-L133 HydrophobicContact CB-CD1 4.18Å; V33-L133 HydrophobicContact CG1-CD1 3.8Å; V33-L133 HydrophobicContact CG1-CG 4.46Å; M73-L133 WeakPolarHBondContact CA-O 3.33Å; C74-L133 PolarHBondContact N-O 3.43Å; C74-L133 PolarHBondContact O-N 3.4Å; L133-G146 WeakPolarHBondContact CA-O 3.36Å; L133-Y147 HydrophobicContact CD2-CD2 3.54Å; L133-Y147 HydrophobicContact CD2-CE2 4.46Å; L133-Y147 HydrophobicContact CD2-CG 4.06Å; L133-V160 HydrophobicContact CD1-CB 4.49Å; L133-V160 HydrophobicContact CD1-CG2 3.54Å; L133-V160 HydrophobicContact CD2-CB 4.07Å; L133-V160 HydrophobicContact CD2-CG2 3.67Å; L133-V160 HydrophobicContact CG-CG2 4.19Å; L133-T162 HydrophobicContact CD1-CG2 4.02Å; L133-T162 HydrophobicContact CD2-CG2 3.92Å; L133-T162 HydrophobicContact CG-CG2 3.82Å
134	V	98.5	Very high	96.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.2	171	-179.8	0	0	0	0	107.4	T71 P107 L110 H111 I114 I145 G146	T71-V134 HydrophobicContact CG2-CG1 3.71Å; P107-V134 HydrophobicContact CB-CG1 4Å; P107-V134 WeakPolarHBondContact O-CG1 3.44Å; L110-V134 HydrophobicContact CD2-CG1 3.96Å; L110-V134 HydrophobicContact CD2-CG2 4.11Å; L110-V134 HydrophobicContact CG-CG1 4.49Å; L110-V134 HydrophobicContact CG-CG2 4.3Å; H111-V134 HydrophobicContact CB-CB 4.25Å; H111-V134 HydrophobicContact CB-CG2 4.25Å; I114-V134 HydrophobicContact CD1-CG2 3.55Å; V134-I145 CarbonylContact O-C 3.21Å; V134-I145 VanDerWaalsContact O-CA 3.31Å; V134-I145 WeakPolarHBondContact O-CA 3.29Å; V134-G146 PolarHBondContact N-O 2.97Å; V134-G146 PolarHBondContact O-N 3.37Å
135	G	98.4	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.1	173.4	0	0	0	0	0	110.4	V72 F144	V72-G135 WeakPolarHBondContact CG1-O 3.45Å; V72-G135 PolarHBondContact N-O 2.94Å; V72-G135 PolarHBondContact O-N 3.41Å; V72-G135 VanDerWaalsContact O-O 3.1Å; G135-F144 CarbonylContact C-O 3.53Å; G135-F144 WeakPolarHBondContact CA-O 3.38Å
136	G	98.1	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-170	175.5	0	0	0	0	0	114.1	S70 F144	S70-G136 CarbonylContact O-C 3.53Å; S70-G136 WeakPolarHBondContact O-CA 3.32Å; G136-F144 PolarHBondContact N-O 3.46Å; G136-F144 PolarHBondContact O-N 3.49Å
137	L	98.1	Very high	96.9	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.063	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.7	168.2	-66.2	-173.3	0	0	0	110.4	S70 P107 P143 V220 N221 K222	S70-L137 PolarHBondContact O-N 3.5Å; P107-L137 WeakPolarHBondContact CD-O 3.34Å; L137-P143 HydrophobicContact CD2-CB 4.17Å; L137-P143 HydrophobicContact CD2-CG 4.08Å; L137-V220 HydrophobicContact CG-CG1 4.31Å; L137-N221 WeakPolarHBondContact CD1-O 3.31Å; L137-K222 HydrophobicContact CD1-CG 4.06Å
138	E	96.5	Very high	97.1	Very high	44 Å²	44	28.6 Å²	28.6	21%	0.206	16%	0.16	C	C	.	.			trans	-69.4	165.6	166.4	-70.5	-59.9	154	0	0	111.1	S106 P107 H108 N140 G141 E142 F144	S106-E138 VanDerWaalsContact CB-OE2 3.28Å; S106-E138 WeakPolarHBondContact CB-OE2 3.42Å; S106-E138 PolarHBondContact OG-OE2 2.94Å; S106-E138 VanDerWaalsContact OG-OE2 3.09Å; P107-E138 HydrophobicContact CG-CG 4.47Å; P107-E138 WeakPolarHBondContact CG-OE1 3.49Å; H108-E138 WeakPolarHBondContact CB-OE1 3.28Å; H108-E138 PolarHBondContact N-OE1 3.43Å; E138-N140 WeakPolarHBondContact CB-OD1 3.34Å; E138-N140 PolarHBondContact O-N 2.99Å; E138-N140 VanDerWaalsContact O-N 3.15Å; E138-G141 WeakPolarHBondContact O-CA 3.49Å; E138-G141 PolarHBondContact O-N 3.48Å; E138-E142 PolarHBondContact N-O 3.47Å; E138-F144 HydrophobicContact CG-CB 4.32Å
139	A	93.3	Very high	97.2	Very high	113 Å²	113	29.3 Å²	29.3	93%	0.934	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.6	-178.8	0	0	0	0	0	113.7	G141	A139-G141 VanDerWaalsContact C-N 3.26Å
140	N	93.3	Very high	97.1	Very high	122 Å²	122	27.2 Å²	27.2	65%	0.652	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.5	173.7	64.3	-6.2	0	0	0	113.5	E138 E142	E138-N140 WeakPolarHBondContact CB-OD1 3.34Å; E138-N140 PolarHBondContact O-N 2.99Å; E138-N140 VanDerWaalsContact O-N 3.15Å; N140-E142 WeakPolarHBondContact ND2-CG 3.39Å; N140-E142 WeakPolarHBondContact OD1-CB 3.38Å; N140-E142 PolarHBondContact OD1-N 2.92Å
141	G	94.4	Very high	97	Very high	16 Å²	16	31.6 Å²	31.6	17%	0.165	18%	0.182	C	C	.	.	S	Bend	trans	86.8	4.2	-177.6	0	0	0	0	0	114.9	E138 A139	E138-G141 WeakPolarHBondContact O-CA 3.49Å; E138-G141 PolarHBondContact O-N 3.48Å; A139-G141 VanDerWaalsContact C-N 3.26Å
142	E	96.6	Very high	96.8	Very high	108 Å²	108	31.1 Å²	31.1	51%	0.505	18%	0.181	S	C	.	.			trans	-73.7	132.1	178.5	-72.5	-61.5	132.8	0	0	111.6	E138 N140 F144	E138-E142 PolarHBondContact N-O 3.47Å; N140-E142 WeakPolarHBondContact ND2-CG 3.39Å; N140-E142 WeakPolarHBondContact OD1-CB 3.38Å; N140-E142 PolarHBondContact OD1-N 2.92Å; E142-F144 PolarHBondContact O-N 3.21Å
143	P	98.1	Very high	96.7	Very high	17 Å²	17	35 Å²	35	11%	0.11	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.2	175.9	-20.6	33.2	0	0	0	113.1	K37 G41 V42 L137	K37-P143 HydrophobicContact CB-CB 4.36Å; K37-P143 HydrophobicContact CD-CB 4.12Å; K37-P143 WeakPolarHBondContact CE-O 3.36Å; K37-P143 HydrophobicContact CG-CB 4.22Å; K37-P143 PolarHBondContact NZ-O 3.06Å; G41-P143 WeakPolarHBondContact O-CB 3.31Å; V42-P143 HydrophobicContact CG1-CB 3.69Å; L137-P143 HydrophobicContact CD2-CB 4.17Å; L137-P143 HydrophobicContact CD2-CG 4.08Å
144	F	98.5	Very high	96.7	Very high	17 Å²	17	37.4 Å²	37.4	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.1	179.6	-176.1	-88.5	0	0	0	111.3	P107 H108 H111 G135 G136 E138 E142 T156	P107-F144 HydrophobicContact CB-CB 4.27Å; P107-F144 HydrophobicContact CB-CD1 3.77Å; P107-F144 HydrophobicContact CB-CG 4.28Å; P107-F144 HydrophobicContact CG-CB 3.89Å; P107-F144 HydrophobicContact CG-CD1 4.24Å; P107-F144 HydrophobicContact CG-CG 4.25Å; H108-F144 HydrophobicContact CB-CD2 4.18Å; H108-F144 HydrophobicContact CB-CE2 3.82Å; H108-F144 HydrophobicContact CB-CZ 4Å; H108-F144 AromaticContact CG-CE2 3.98Å; H108-F144 AromaticContact ND1-CE2 3.32Å; H108-F144 VanDerWaalsContact ND1-CE2 3.32Å; H108-F144 WeakPolarHBondContact ND1-CE2 3.39Å; H108-F144 AromaticContact ND1-CZ 3.62Å; H111-F144 HydrophobicContact CB-CE1 3.86Å; H111-F144 HydrophobicContact CB-CZ 4.06Å; H111-F144 AromaticContact ND1-CZ 3.93Å; G135-F144 CarbonylContact C-O 3.53Å; G135-F144 WeakPolarHBondContact CA-O 3.38Å; G136-F144 PolarHBondContact N-O 3.46Å; G136-F144 PolarHBondContact O-N 3.49Å; E138-F144 HydrophobicContact CG-CB 4.32Å; E142-F144 PolarHBondContact O-N 3.21Å; F144-T156 HydrophobicContact CE2-CG2 3.51Å; F144-T156 HydrophobicContact CZ-CG2 3.49Å; F144-T156 VanDerWaalsContact CZ-CG2 3.49Å
145	I	98.5	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	124.2	167.2	-63.3	-176.1	0	0	0	107.8	I36 K37 V42 L44 V134 T156 E157 V160	I36-I145 VanDerWaalsContact C-CD1 3.44Å; K37-I145 HydrophobicContact CG-CD1 3.72Å; K37-I145 HydrophobicContact CG-CG1 3.85Å; V42-I145 HydrophobicContact CB-CD1 4.11Å; V42-I145 HydrophobicContact CB-CG1 4.08Å; V42-I145 HydrophobicContact CG1-CD1 4.08Å; V42-I145 HydrophobicContact CG1-CG1 3.71Å; L44-I145 HydrophobicContact CD2-CD1 4.3Å; V134-I145 CarbonylContact O-C 3.21Å; V134-I145 VanDerWaalsContact O-CA 3.31Å; V134-I145 WeakPolarHBondContact O-CA 3.29Å; I145-T156 VanDerWaalsContact O-CA 3.27Å; I145-T156 WeakPolarHBondContact O-CA 3.38Å; I145-T156 WeakPolarHBondContact O-CB 3.39Å; I145-E157 PolarHBondContact O-N 2.97Å; I145-V160 HydrophobicContact CG2-CB 4.25Å; I145-V160 HydrophobicContact CG2-CG1 3.8Å; I145-V160 HydrophobicContact CG2-CG2 3.39Å
146	G	98.4	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.2	177.5	0	0	0	0	0	111.3	H111 L133 V134	H111-G146 VanDerWaalsContact CD2-C 3.48Å; H111-G146 VanDerWaalsContact CD2-CA 3.47Å; H111-G146 WeakPolarHBondContact CD2-CA 3.21Å; L133-G146 WeakPolarHBondContact CA-O 3.36Å; V134-G146 PolarHBondContact N-O 2.97Å; V134-G146 PolarHBondContact O-N 3.37Å
147	Y	98.5	Very high	96.7	Very high	41 Å²	41	49.3 Å²	49.3	16%	0.161	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	138.2	172.6	178.7	-77	0	0	0	109.7	H111 T131 L133 S154 F155 T162	H111-Y147 PolarHBondContact NE2-N 3.3Å; H111-Y147 PolarHBondContact NE2-O 2.93Å; T131-Y147 HydrophobicContact CG2-CD1 4.49Å; T131-Y147 HydrophobicContact CG2-CD2 4.16Å; T131-Y147 HydrophobicContact CG2-CE1 3.85Å; T131-Y147 HydrophobicContact CG2-CE2 3.46Å; T131-Y147 VanDerWaalsContact CG2-CE2 3.46Å; T131-Y147 WeakPolarHBondContact CG2-OH 3.47Å; L133-Y147 HydrophobicContact CD2-CD2 3.54Å; L133-Y147 HydrophobicContact CD2-CE2 4.46Å; L133-Y147 HydrophobicContact CD2-CG 4.06Å; Y147-S154 WeakPolarHBondContact O-CA 3.46Å; Y147-S154 VanDerWaalsContact O-CB 3.24Å; Y147-S154 WeakPolarHBondContact O-CB 3.3Å; Y147-F155 AromaticContact CD1-CD1 3.97Å; Y147-F155 HydrophobicContact CD1-CD1 3.97Å; Y147-F155 AromaticContact CD1-CE1 3.37Å; Y147-F155 HydrophobicContact CD1-CE1 3.37Å; Y147-F155 HydrophobicContact CD1-CE2 4.36Å; Y147-F155 AromaticContact CD1-CZ 3.62Å; Y147-F155 HydrophobicContact CD1-CZ 3.62Å; Y147-F155 HydrophobicContact CD2-CE1 4.4Å; Y147-F155 HydrophobicContact CD2-CE2 4.34Å; Y147-F155 AromaticContact CD2-CZ 3.81Å; Y147-F155 HydrophobicContact CD2-CZ 3.81Å; Y147-F155 AromaticContact CE1-CE1 3.8Å; Y147-F155 HydrophobicContact CE1-CE1 3.8Å; Y147-F155 HydrophobicContact CE1-CZ 4.15Å; Y147-F155 HydrophobicContact CE2-CZ 4.3Å; Y147-F155 HydrophobicContact CG-CD1 4.42Å; Y147-F155 AromaticContact CG-CE1 3.74Å; Y147-F155 HydrophobicContact CG-CE1 3.74Å; Y147-F155 AromaticContact CG-CE2 3.89Å; Y147-F155 HydrophobicContact CG-CE2 3.89Å; Y147-F155 AromaticContact CG-CZ 3.45Å; Y147-F155 HydrophobicContact CG-CZ 3.45Å; Y147-F155 VanDerWaalsContact CG-CZ 3.45Å; Y147-F155 PolarHBondContact N-O 2.94Å; Y147-F155 PolarHBondContact O-N 2.86Å; Y147-F155 VanDerWaalsContact O-N 3.15Å; Y147-T162 HydrophobicContact CD2-CG2 4.23Å; Y147-T162 HydrophobicContact CE2-CG2 3.8Å
148	C	98.4	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	121.8	168.9	-165.8	0	0	0	0	111.5	I114 T115 L118 T131 C132 V153	I114-C148 HydrophobicContact CG2-CB 4.23Å; T115-C148 VanDerWaalsContact CA-SG 3.54Å; T115-C148 PolarHBondContact OG1-SG 3.14Å; L118-C148 HydrophobicContact CD1-CB 4.34Å; T131-C148 CarbonylContact C-O 3.57Å; T131-C148 WeakPolarHBondContact CA-O 3.19Å; C132-C148 PolarHBondContact N-O 3.07Å; C132-C148 PolarHBondContact O-N 3.42Å; C148-V153 WeakPolarHBondContact CA-O 3.47Å
149	S	97.2	Very high	96.7	Very high	16 Å²	16	50.5 Å²	50.5	11%	0.112	29%	0.286	C	S	.	.			trans	-85.3	165.5	174.8	68	0	0	0	0	112.6	L118 L151 G152 V153	L118-S149 WeakPolarHBondContact CD1-O 3.45Å; S149-L151 PolarHBondContact O-N 2.91Å; S149-L151 PolarHBondContact OG-N 3.01Å; S149-G152 PolarHBondContact O-N 3.3Å; S149-V153 PolarHBondContact N-O 3.31Å; S149-V153 WeakPolarHBondContact OG-CB 3.42Å; S149-V153 PolarHBondContact OG-N 3.38Å; S149-V153 PolarHBondContact OG-O 3.47Å
150	M	94.2	Very high	97	Very high	36 Å²	36	45.2 Å²	45.2	18%	0.177	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-27.6	171.7	173.1	171.5	84.7	0	0	114.2	P127 L128 W129 N130 G152	P127-M150 HydrophobicContact CB-CE 4.32Å; P127-M150 HydrophobicContact CB-CG 3.5Å; P127-M150 VanDerWaalsContact CB-CG 3.5Å; P127-M150 HydrophobicContact CB-SD 3.53Å; P127-M150 VanDerWaalsContact CB-SD 3.53Å; P127-M150 HydrophobicContact CG-CE 4.3Å; P127-M150 HydrophobicContact CG-CG 4.41Å; P127-M150 HydrophobicContact CG-SD 3.82Å; L128-M150 WeakPolarHBondContact O-CB 3.31Å; L128-M150 WeakPolarHBondContact O-CG 3.47Å; W129-M150 WeakPolarHBondContact CA-SD 3.5Å; W129-M150 HydrophobicContact CB-SD 4.08Å; W129-M150 HydrophobicContact CD2-CE 4Å; W129-M150 HydrophobicContact CD2-SD 3.5Å; W129-M150 VanDerWaalsContact CD2-SD 3.5Å; W129-M150 HydrophobicContact CE3-CE 3.67Å; W129-M150 HydrophobicContact CE3-SD 3.69Å; W129-M150 HydrophobicContact CG-SD 3.69Å; W129-M150 HydrophobicContact CH2-CE 4.2Å; W129-M150 HydrophobicContact CZ2-CE 4.46Å; W129-M150 HydrophobicContact CZ3-CE 3.79Å; W129-M150 HydrophobicContact CZ3-SD 4.39Å; N130-M150 WeakPolarHBondContact O-CA 3.24Å; N130-M150 WeakPolarHBondContact O-CB 3.45Å; N130-M150 PolarHBondContact O-N 2.65Å; M150-G152 VanDerWaalsContact C-N 3.27Å; M150-G152 PolarHBondContact O-N 2.97Å
151	L	94.3	Very high	97.2	Very high	96 Å²	96	39.6 Å²	39.6	50%	0.503	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.5	179.5	-60.1	-179.6	0	0	0	113.5	R122 S149 V153	R122-L151 HydrophobicContact CG-CD2 4.08Å; S149-L151 PolarHBondContact O-N 2.91Å; S149-L151 PolarHBondContact OG-N 3.01Å; L151-V153 VanDerWaalsContact C-N 3.28Å; L151-V153 HydrophobicContact CB-CG2 4.24Å
152	G	93.8	Very high	97.3	Very high	13 Å²	13	38.9 Å²	38.9	13%	0.134	21%	0.205	C	C	.	.			trans	77.1	11.4	-170.3	0	0	0	0	0	113.6	S149 M150 S154	S149-G152 PolarHBondContact O-N 3.3Å; M150-G152 VanDerWaalsContact C-N 3.27Å; M150-G152 PolarHBondContact O-N 2.97Å; G152-S154 PolarHBondContact O-N 2.94Å
153	V	96.2	Very high	97.3	Very high	84 Å²	84	35.8 Å²	35.8	51%	0.509	20%	0.203	S	C	.	.			trans	-71.4	116.4	169.7	178.9	0	0	0	0	107.6	C148 S149 L151	C148-V153 WeakPolarHBondContact CA-O 3.47Å; S149-V153 PolarHBondContact N-O 3.31Å; S149-V153 WeakPolarHBondContact OG-CB 3.42Å; S149-V153 PolarHBondContact OG-N 3.38Å; S149-V153 PolarHBondContact OG-O 3.47Å; L151-V153 VanDerWaalsContact C-N 3.28Å; L151-V153 HydrophobicContact CB-CG2 4.24Å
154	S	97.4	Very high	97.2	Very high	50 Å²	50	41.1 Å²	41.1	35%	0.35	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.2	-178.4	66.3	0	0	0	0	112.6	T115 Y147 G152	T115-S154 WeakPolarHBondContact CG2-OG 3.31Å; T115-S154 WeakPolarHBondContact OG1-CB 3.36Å; T115-S154 PolarHBondContact OG1-OG 2.79Å; Y147-S154 WeakPolarHBondContact O-CA 3.46Å; Y147-S154 VanDerWaalsContact O-CB 3.24Å; Y147-S154 WeakPolarHBondContact O-CB 3.3Å; G152-S154 PolarHBondContact O-N 2.94Å
155	F	98.1	Very high	97.1	Very high	85 Å²	85	40.3 Å²	40.3	37%	0.373	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	168.6	176.9	57.1	-100.4	0	0	0	109.6	Y147 E157 V160	Y147-F155 AromaticContact CD1-CD1 3.97Å; Y147-F155 HydrophobicContact CD1-CD1 3.97Å; Y147-F155 AromaticContact CD1-CE1 3.37Å; Y147-F155 HydrophobicContact CD1-CE1 3.37Å; Y147-F155 HydrophobicContact CD1-CE2 4.36Å; Y147-F155 AromaticContact CD1-CZ 3.62Å; Y147-F155 HydrophobicContact CD1-CZ 3.62Å; Y147-F155 HydrophobicContact CD2-CE1 4.4Å; Y147-F155 HydrophobicContact CD2-CE2 4.34Å; Y147-F155 AromaticContact CD2-CZ 3.81Å; Y147-F155 HydrophobicContact CD2-CZ 3.81Å; Y147-F155 AromaticContact CE1-CE1 3.8Å; Y147-F155 HydrophobicContact CE1-CE1 3.8Å; Y147-F155 HydrophobicContact CE1-CZ 4.15Å; Y147-F155 HydrophobicContact CE2-CZ 4.3Å; Y147-F155 HydrophobicContact CG-CD1 4.42Å; Y147-F155 AromaticContact CG-CE1 3.74Å; Y147-F155 HydrophobicContact CG-CE1 3.74Å; Y147-F155 AromaticContact CG-CE2 3.89Å; Y147-F155 HydrophobicContact CG-CE2 3.89Å; Y147-F155 AromaticContact CG-CZ 3.45Å; Y147-F155 HydrophobicContact CG-CZ 3.45Å; Y147-F155 VanDerWaalsContact CG-CZ 3.45Å; Y147-F155 PolarHBondContact N-O 2.94Å; Y147-F155 PolarHBondContact O-N 2.86Å; Y147-F155 VanDerWaalsContact O-N 3.15Å; F155-E157 HydrophobicContact CD2-CB 4.5Å; F155-E157 HydrophobicContact CD2-CG 3.6Å; F155-E157 HydrophobicContact CE2-CG 3.8Å; F155-V160 HydrophobicContact CE2-CG1 4.21Å
156	T	98.3	Very high	97	Very high	66 Å²	66	42.1 Å²	42.1	41%	0.405	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.4	178.2	59.9	0	0	0	0	109	F144 I145	F144-T156 HydrophobicContact CE2-CG2 3.51Å; F144-T156 HydrophobicContact CZ-CG2 3.49Å; F144-T156 VanDerWaalsContact CZ-CG2 3.49Å; I145-T156 VanDerWaalsContact O-CA 3.27Å; I145-T156 WeakPolarHBondContact O-CA 3.38Å; I145-T156 WeakPolarHBondContact O-CB 3.39Å
157	E	97.7	Very high	96.9	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	27%	0.27	S	S	.	.			trans	-142.5	165.9	-175.8	-71.7	-62.1	160.6	0	0	111.1	K37 I145 F155 Y159 V160	K37-E157 VanDerWaalsContact CE-O 3.27Å; K37-E157 WeakPolarHBondContact CE-O 3.45Å; I145-E157 PolarHBondContact O-N 2.97Å; F155-E157 HydrophobicContact CD2-CB 4.5Å; F155-E157 HydrophobicContact CD2-CG 3.6Å; F155-E157 HydrophobicContact CE2-CG 3.8Å; E157-Y159 VanDerWaalsContact C-N 3.32Å; E157-Y159 WeakPolarHBondContact CB-O 3.39Å; E157-V160 HydrophobicContact CB-CG1 3.93Å
158	N	98.2	Very high	96.9	Very high	46 Å²	46	50.8 Å²	50.8	25%	0.246	27%	0.273	C	S	.	.	S	Bend	trans	-74.1	-25.3	174.4	-69.6	-24.5	0	0	0	112.7	I36 K37 L177	I36-N158 CarbonylContact C-O 3.47Å; I36-N158 WeakPolarHBondContact CA-O 3.38Å; K37-N158 WeakPolarHBondContact CD-OD1 3.25Å; K37-N158 PolarHBondContact N-O 3.12Å; N158-L177 HydrophobicContact CB-CD1 4.41Å; N158-L177 HydrophobicContact CB-CD2 3.47Å; N158-L177 VanDerWaalsContact CB-CD2 3.47Å
159	Y	97.9	Very high	96.9	Very high	34 Å²	34	50.8 Å²	50.8	13%	0.133	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.5	170.2	57.3	-97.5	0	0	0	110.1	G35 E157 M170 L173 R174 L177	G35-Y159 CarbonylContact O-C 3.57Å; G35-Y159 VanDerWaalsContact O-CA 3.24Å; G35-Y159 WeakPolarHBondContact O-CA 3.32Å; E157-Y159 VanDerWaalsContact C-N 3.32Å; E157-Y159 WeakPolarHBondContact CB-O 3.39Å; Y159-M170 HydrophobicContact CD2-SD 3.43Å; Y159-M170 WeakPolarHBondContact CD2-SD 3.49Å; Y159-M170 HydrophobicContact CE2-CG 4.13Å; Y159-M170 HydrophobicContact CE2-SD 3.44Å; Y159-M170 WeakPolarHBondContact CE2-SD 3.49Å; Y159-L173 HydrophobicContact CD2-CB 4.03Å; Y159-L173 HydrophobicContact CG-CB 3.99Å; Y159-R174 HydrophobicContact CE2-CB 4.36Å; Y159-R174 PolarHBondContact OH-NE 2.98Å; Y159-L177 HydrophobicContact CD1-CB 3.92Å; Y159-L177 HydrophobicContact CD1-CD2 3.6Å; Y159-L177 HydrophobicContact CD1-CG 4.38Å; Y159-L177 HydrophobicContact CE1-CB 4.03Å; Y159-L177 HydrophobicContact CE1-CD2 3.58Å; Y159-L177 HydrophobicContact CE1-CG 4.42Å
160	V	98.1	Very high	96.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	150.8	-177.7	-64.6	0	0	0	0	110.3	I34 G35 L133 I145 F155 E157	I34-V160 CarbonylContact C-O 3.51Å; I34-V160 WeakPolarHBondContact CA-O 3.36Å; G35-V160 PolarHBondContact N-O 2.89Å; G35-V160 PolarHBondContact O-N 3.07Å; L133-V160 HydrophobicContact CD1-CB 4.49Å; L133-V160 HydrophobicContact CD1-CG2 3.54Å; L133-V160 HydrophobicContact CD2-CB 4.07Å; L133-V160 HydrophobicContact CD2-CG2 3.67Å; L133-V160 HydrophobicContact CG-CG2 4.19Å; I145-V160 HydrophobicContact CG2-CB 4.25Å; I145-V160 HydrophobicContact CG2-CG1 3.8Å; I145-V160 HydrophobicContact CG2-CG2 3.39Å; F155-V160 HydrophobicContact CE2-CG1 4.21Å; E157-V160 HydrophobicContact CB-CG1 3.93Å
161	A	97.9	Very high	97	Very high	5 Å²	5	53.3 Å²	53.3	4%	0.041	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	142.9	172.9	0	0	0	0	0	109.8	V33 I34 G165 M170	V33-A161 CarbonylContact O-C 3.45Å; V33-A161 WeakPolarHBondContact O-CA 3.4Å; I34-A161 HydrophobicContact CG2-CB 3.72Å; A161-G165 WeakPolarHBondContact CB-O 3.46Å; A161-M170 HydrophobicContact CB-CE 3.97Å; A161-M170 HydrophobicContact CB-SD 4.35Å
162	T	97.5	Very high	97.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.275	C	S	.	.			trans	-110.8	160.7	176.8	75.2	0	0	0	0	111	S32 V33 S76 T131 L133 Y147 G165	S32-T162 WeakPolarHBondContact CA-O 3.44Å; S32-T162 WeakPolarHBondContact CB-O 3.28Å; S32-T162 PolarHBondContact OG-O 2.9Å; V33-T162 PolarHBondContact N-OG1 3.34Å; V33-T162 PolarHBondContact O-N 2.81Å; V33-T162 PolarHBondContact O-OG1 3.1Å; S76-T162 VanDerWaalsContact CB-OG1 3.29Å; S76-T162 WeakPolarHBondContact CB-OG1 3.25Å; S76-T162 WeakPolarHBondContact OG-CB 3.47Å; S76-T162 PolarHBondContact OG-OG1 3.08Å; S76-T162 VanDerWaalsContact OG-OG1 3.06Å; T131-T162 HydrophobicContact CG2-CG2 3.54Å; L133-T162 HydrophobicContact CD1-CG2 4.02Å; L133-T162 HydrophobicContact CD2-CG2 3.92Å; L133-T162 HydrophobicContact CG-CG2 3.82Å; Y147-T162 HydrophobicContact CD2-CG2 4.23Å; Y147-T162 HydrophobicContact CE2-CG2 3.8Å; T162-G165 WeakPolarHBondContact O-CA 3.29Å; T162-G165 PolarHBondContact O-N 3.25Å; T162-G165 VanDerWaalsContact O-N 3.08Å
163	G	95.4	Very high	97.4	Very high	44 Å²	44	50 Å²	50	45%	0.454	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	-139.8	177.1	0	0	0	0	0	113	G165 A166	G163-G165 PolarHBondContact O-N 3.35Å; G163-A166 WeakPolarHBondContact O-CB 3.39Å; G163-A166 PolarHBondContact O-N 3.41Å; G163-A166 VanDerWaalsContact O-N 3.15Å
164	F	96.5	Very high	97.5	Very high	128 Å²	128	52.1 Å²	52.1	56%	0.561	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	175	-84.6	-88.6	0	0	0	113	S32 A166 Y167 L168 D208	S32-F164 PolarHBondContact OG-N 2.79Å; F164-A166 PolarHBondContact O-N 3.03Å; F164-Y167 PolarHBondContact O-N 2.93Å; F164-L168 HydrophobicContact CB-CD1 4.15Å; F164-L168 PolarHBondContact O-N 2.91Å; F164-D208 HydrophobicContact CB-CB 4.44Å
165	G	97.1	Very high	97.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-51.8	-36.7	168.4	0	0	0	0	0	113.6	S32 A161 T162 G163 Y167 A169 M170	S32-G165 PolarHBondContact OG-N 2.88Å; A161-G165 WeakPolarHBondContact CB-O 3.46Å; T162-G165 WeakPolarHBondContact O-CA 3.29Å; T162-G165 PolarHBondContact O-N 3.25Å; T162-G165 VanDerWaalsContact O-N 3.08Å; G163-G165 PolarHBondContact O-N 3.35Å; G165-Y167 PolarHBondContact O-N 2.95Å; G165-Y167 VanDerWaalsContact O-N 3.16Å; G165-A169 WeakPolarHBondContact O-CA 2.82Å; G165-A169 WeakPolarHBondContact O-CB 3.41Å; G165-A169 PolarHBondContact O-N 3.1Å; G165-M170 PolarHBondContact O-N 3.06Å
166	A	95.9	Very high	97.6	Very high	39 Å²	39	51.5 Å²	51.5	32%	0.322	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-22.2	177.7	0	0	0	0	0	113.4	G163 F164 M170	G163-A166 WeakPolarHBondContact O-CB 3.39Å; G163-A166 PolarHBondContact O-N 3.41Å; G163-A166 VanDerWaalsContact O-N 3.15Å; F164-A166 PolarHBondContact O-N 3.03Å; A166-M170 HydrophobicContact CB-CE 4.4Å; A166-M170 WeakPolarHBondContact O-CB 3.34Å
167	Y	97.1	Very high	97.6	Very high	182 Å²	182	48.5 Å²	48.5	71%	0.714	24%	0.242	S	C	*	.	H	α-helix	trans	-103.9	-37.8	179.5	-56.2	-79.6	0	0	0	112.6	F164 G165	F164-Y167 PolarHBondContact O-N 2.93Å; G165-Y167 PolarHBondContact O-N 2.95Å; G165-Y167 VanDerWaalsContact O-N 3.16Å
168	L	97.6	Very high	97.6	Very high	40 Å²	40	48.1 Å²	48.1	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-97.3	-38.5	-171.7	-63.3	173.2	0	0	0	113.6	F164 L204 R207 D208	F164-L168 HydrophobicContact CB-CD1 4.15Å; F164-L168 PolarHBondContact O-N 2.91Å; L168-L204 HydrophobicContact CB-CD2 3.95Å; L168-L204 HydrophobicContact CD1-CD2 4.15Å; L168-R207 HydrophobicContact CD1-CB 3.73Å; L168-R207 HydrophobicContact CD2-CB 3.87Å; L168-R207 HydrophobicContact CD2-CG 4.41Å; L168-R207 HydrophobicContact CG-CB 4.41Å; L168-D208 HydrophobicContact CD1-CB 4.06Å
169	A	97.8	Very high	97.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-32.2	-177.5	0	0	0	0	0	112.3	I34 G165 P171 I172 L173 A200 L204	I34-A169 HydrophobicContact CG2-CB 3.8Å; G165-A169 WeakPolarHBondContact O-CA 2.82Å; G165-A169 WeakPolarHBondContact O-CB 3.41Å; G165-A169 PolarHBondContact O-N 3.1Å; A169-P171 VanDerWaalsContact C-CD 3.46Å; A169-I172 WeakPolarHBondContact O-CB 2.86Å; A169-I172 PolarHBondContact O-N 3.15Å; A169-L173 PolarHBondContact O-N 2.8Å; A169-L173 VanDerWaalsContact O-N 3.1Å; A169-A200 HydrophobicContact CB-CB 3.94Å; A169-L204 HydrophobicContact CB-CD1 4.18Å; A169-L204 HydrophobicContact CB-CD2 4.5Å; A169-L204 HydrophobicContact CB-CG 4.29Å
170	M	97.3	Very high	97.3	Very high	36 Å²	36	56.7 Å²	56.7	18%	0.177	28%	0.281	C	S	.	.	H	α-helix	trans	-53.1	-41.7	-177.7	-161.4	72.5	85.7	0	0	114.2	Y159 A161 G165 A166 I172 L173 R174	Y159-M170 HydrophobicContact CD2-SD 3.43Å; Y159-M170 WeakPolarHBondContact CD2-SD 3.49Å; Y159-M170 HydrophobicContact CE2-CG 4.13Å; Y159-M170 HydrophobicContact CE2-SD 3.44Å; Y159-M170 WeakPolarHBondContact CE2-SD 3.49Å; A161-M170 HydrophobicContact CB-CE 3.97Å; A161-M170 HydrophobicContact CB-SD 4.35Å; G165-M170 PolarHBondContact O-N 3.06Å; A166-M170 HydrophobicContact CB-CE 4.4Å; A166-M170 WeakPolarHBondContact O-CB 3.34Å; M170-I172 VanDerWaalsContact C-N 3.31Å; M170-I172 PolarHBondContact O-N 3.42Å; M170-L173 PolarHBondContact O-N 2.96Å; M170-R174 VanDerWaalsContact O-CB 3.28Å; M170-R174 WeakPolarHBondContact O-CB 3.35Å; M170-R174 PolarHBondContact O-N 3.49Å
171	P	97.7	Very high	97.3	Very high	70 Å²	70	56.8 Å²	56.8	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-37.9	176.9	-24.3	36.1	0	0	0	113.4	A169 R174 E175	A169-P171 VanDerWaalsContact C-CD 3.46Å; P171-R174 PolarHBondContact O-N 3.16Å; P171-E175 WeakPolarHBondContact O-CB 3.05Å; P171-E175 PolarHBondContact O-N 3.4Å
172	I	98.2	Very high	97.2	Very high	40 Å²	40	59.8 Å²	59.8	21%	0.205	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-44.4	179.2	-62.1	168.5	0	0	0	110.2	A169 M170 R174 E175 C176 T196 A200 Q203	A169-I172 WeakPolarHBondContact O-CB 2.86Å; A169-I172 PolarHBondContact O-N 3.15Å; M170-I172 VanDerWaalsContact C-N 3.31Å; M170-I172 PolarHBondContact O-N 3.42Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.99Å; I172-E175 PolarHBondContact O-N 3Å; I172-C176 PolarHBondContact O-N 3.42Å; I172-T196 HydrophobicContact CG2-CG2 3.97Å; I172-A200 HydrophobicContact CG2-CB 4.34Å; I172-Q203 HydrophobicContact CD1-CB 3.58Å; I172-Q203 HydrophobicContact CD1-CG 3.9Å
173	L	98.4	Very high	97.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-41.3	176.3	-59	-179.6	0	0	0	111.4	I34 I36 Y159 A169 M170 C176 L177 T196 M197 A200	I34-L173 HydrophobicContact CB-CD1 4.42Å; I36-L173 HydrophobicContact CB-CD2 4.44Å; I36-L173 HydrophobicContact CD1-CD2 4.37Å; Y159-L173 HydrophobicContact CD2-CB 4.03Å; Y159-L173 HydrophobicContact CG-CB 3.99Å; A169-L173 PolarHBondContact O-N 2.8Å; A169-L173 VanDerWaalsContact O-N 3.1Å; M170-L173 PolarHBondContact O-N 2.96Å; L173-C176 PolarHBondContact O-N 2.87Å; L173-L177 PolarHBondContact O-N 3.2Å; L173-L177 VanDerWaalsContact O-N 3.1Å; L173-T196 HydrophobicContact CD2-CG2 3.98Å; L173-M197 HydrophobicContact CD2-SD 3.74Å; L173-A200 HydrophobicContact CD2-CB 4.41Å
174	R	98	Very high	97.2	Very high	127 Å²	127	62 Å²	62	48%	0.479	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-42.9	177.3	-175.8	-177.2	-62.9	156.3	1.9	112.2	Y159 M170 P171 I172 C176 L177 E178	Y159-R174 HydrophobicContact CE2-CB 4.36Å; Y159-R174 PolarHBondContact OH-NE 2.98Å; M170-R174 VanDerWaalsContact O-CB 3.28Å; M170-R174 WeakPolarHBondContact O-CB 3.35Å; M170-R174 PolarHBondContact O-N 3.49Å; P171-R174 PolarHBondContact O-N 3.16Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.99Å; R174-C176 VanDerWaalsContact C-N 3.28Å; R174-C176 PolarHBondContact O-N 3.46Å; R174-L177 PolarHBondContact O-N 2.94Å; R174-E178 HydrophobicContact CG-CB 4.32Å; R174-E178 HydrophobicContact CG-CG 3.56Å; R174-E178 VanDerWaalsContact O-CB 3.31Å; R174-E178 WeakPolarHBondContact O-CB 3.49Å; R174-E178 WeakPolarHBondContact O-CG 3.48Å; R174-E178 PolarHBondContact O-N 2.78Å
175	E	98.1	Very high	97.3	Very high	117 Å²	117	56.9 Å²	56.9	55%	0.547	30%	0.301	S	S	.	.	I	π-helix	trans	-58.7	-42.6	175.6	175	171.8	-159.6	0	0	111.3	P171 I172 I179 K180	P171-E175 WeakPolarHBondContact O-CB 3.05Å; P171-E175 PolarHBondContact O-N 3.4Å; I172-E175 PolarHBondContact O-N 3Å; E175-I179 HydrophobicContact CB-CD1 4.46Å; E175-I179 HydrophobicContact CG-CB 4.47Å; E175-I179 HydrophobicContact CG-CD1 4.19Å; E175-I179 VanDerWaalsContact O-CB 3.32Å; E175-I179 WeakPolarHBondContact O-CB 3.4Å; E175-I179 PolarHBondContact O-N 3.37Å; E175-I179 VanDerWaalsContact O-N 3.12Å; E175-K180 PolarHBondContact O-N 3.45Å
176	C	98.1	Very high	97.3	Very high	6 Å²	6	60.4 Å²	60.4	4%	0.041	32%	0.32	C	S	.	.	I	π-helix	trans	-62.1	-47	176.7	-174.3	0	0	0	0	112.5	I36 I172 L173 R174 K180 A181 T196	I36-C176 HydrophobicContact CD1-CB 4.26Å; I172-C176 PolarHBondContact O-N 3.42Å; L173-C176 PolarHBondContact O-N 2.87Å; R174-C176 VanDerWaalsContact C-N 3.28Å; R174-C176 PolarHBondContact O-N 3.46Å; C176-K180 WeakPolarHBondContact O-CB 3.48Å; C176-A181 WeakPolarHBondContact O-CB 3.43Å; C176-A181 PolarHBondContact O-N 3.25Å; C176-T196 HydrophobicContact CB-CG2 3.53Å; C176-T196 PolarHBondContact SG-OG1 2.86Å
177	L	98.1	Very high	97.4	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.016	33%	0.331	C	S	.	.	I	π-helix	trans	-75.6	-55.4	-179.6	-173.7	71.3	0	0	0	112.9	N158 Y159 L173 R174 A181 G182 G183 P185 I188	N158-L177 HydrophobicContact CB-CD1 4.41Å; N158-L177 HydrophobicContact CB-CD2 3.47Å; N158-L177 VanDerWaalsContact CB-CD2 3.47Å; Y159-L177 HydrophobicContact CD1-CB 3.92Å; Y159-L177 HydrophobicContact CD1-CD2 3.6Å; Y159-L177 HydrophobicContact CD1-CG 4.38Å; Y159-L177 HydrophobicContact CE1-CB 4.03Å; Y159-L177 HydrophobicContact CE1-CD2 3.58Å; Y159-L177 HydrophobicContact CE1-CG 4.42Å; L173-L177 PolarHBondContact O-N 3.2Å; L173-L177 VanDerWaalsContact O-N 3.1Å; R174-L177 PolarHBondContact O-N 2.94Å; L177-A181 HydrophobicContact CD1-CB 4.48Å; L177-A181 CarbonylContact O-C 3.56Å; L177-A181 WeakPolarHBondContact O-CA 3.19Å; L177-A181 VanDerWaalsContact O-CB 3.25Å; L177-A181 WeakPolarHBondContact O-CB 3.48Å; L177-A181 PolarHBondContact O-N 3.28Å; L177-G182 PolarHBondContact O-N 3.29Å; L177-G183 PolarHBondContact O-N 2.75Å; L177-P185 HydrophobicContact CD1-CB 3.94Å; L177-I188 HydrophobicContact CB-CD1 4.41Å; L177-I188 HydrophobicContact CD1-CD1 3.73Å
178	E	97.7	Very high	97.4	Very high	92 Å²	92	55 Å²	55	43%	0.43	30%	0.298	S	S	.	.	I	π-helix	trans	-76.8	-41.9	-168.4	-56.3	-59.6	158.3	0	0	112	R174 G182	R174-E178 HydrophobicContact CG-CB 4.32Å; R174-E178 HydrophobicContact CG-CG 3.56Å; R174-E178 VanDerWaalsContact O-CB 3.31Å; R174-E178 WeakPolarHBondContact O-CB 3.49Å; R174-E178 WeakPolarHBondContact O-CG 3.48Å; R174-E178 PolarHBondContact O-N 2.78Å; E178-G182 WeakPolarHBondContact O-CA 3.34Å
179	I	96.5	Very high	97.4	Very high	133 Å²	133	55.1 Å²	55.1	68%	0.682	30%	0.3	S	S	*	.	I	π-helix	trans	-90.9	-52.8	-173.5	-57.4	178.6	0	0	0	110.3	E175	E175-I179 HydrophobicContact CB-CD1 4.46Å; E175-I179 HydrophobicContact CG-CB 4.47Å; E175-I179 HydrophobicContact CG-CD1 4.19Å; E175-I179 VanDerWaalsContact O-CB 3.32Å; E175-I179 WeakPolarHBondContact O-CB 3.4Å; E175-I179 PolarHBondContact O-N 3.37Å; E175-I179 VanDerWaalsContact O-N 3.12Å
180	K	95.1	Very high	97.4	Very high	127 Å²	127	58.4 Å²	58.4	55%	0.552	32%	0.315	S	S	*	.	I	π-helix	trans	-76.9	-40.1	-176.1	178.3	177.4	176.8	173.2	0	112.6	E175 C176 D192	E175-K180 PolarHBondContact O-N 3.45Å; C176-K180 WeakPolarHBondContact O-CB 3.48Å; K180-D192 WeakPolarHBondContact CE-OD2 3.46Å; K180-D192 IonicContact NZ-OD1 2.62Å; K180-D192 PolarHBondContact NZ-OD1 2.85Å; K180-D192 IonicContact NZ-OD2 3.38Å; K180-D192 PolarHBondContact NZ-OD2 2.99Å
181	A	96.6	Very high	97.5	Very high	4 Å²	4	64.4 Å²	64.4	3%	0.033	34%	0.343	C	S	.	.	S	Bend	trans	-97.6	-3.2	-176.4	0	0	0	0	0	114.2	C176 L177 G183 D184 N187 I188	C176-A181 WeakPolarHBondContact O-CB 3.43Å; C176-A181 PolarHBondContact O-N 3.25Å; L177-A181 HydrophobicContact CD1-CB 4.48Å; L177-A181 CarbonylContact O-C 3.56Å; L177-A181 WeakPolarHBondContact O-CA 3.19Å; L177-A181 VanDerWaalsContact O-CB 3.25Å; L177-A181 WeakPolarHBondContact O-CB 3.48Å; L177-A181 PolarHBondContact O-N 3.28Å; A181-G183 VanDerWaalsContact C-N 3.27Å; A181-G183 PolarHBondContact O-N 2.92Å; A181-D184 WeakPolarHBondContact CB-O 3.07Å; A181-D184 PolarHBondContact O-N 3Å; A181-N187 HydrophobicContact CB-CB 3.91Å; A181-N187 PolarHBondContact O-ND2 3.43Å; A181-I188 HydrophobicContact CB-CD1 4.05Å; A181-I188 HydrophobicContact CB-CG1 3.43Å; A181-I188 VanDerWaalsContact CB-CG1 3.43Å
182	G	96.2	Very high	97.5	Very high	67 Å²	67	63 Å²	63	69%	0.691	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	27.6	-179.6	0	0	0	0	0	113.9	L177 E178 D184	L177-G182 PolarHBondContact O-N 3.29Å; E178-G182 WeakPolarHBondContact O-CA 3.34Å; G182-D184 VanDerWaalsContact C-N 3.35Å
183	G	96.4	Very high	97.5	Very high	29 Å²	29	61 Å²	61	30%	0.299	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-6.6	-179.8	0	0	0	0	0	115.1	L177 A181	L177-G183 PolarHBondContact O-N 2.75Å; A181-G183 VanDerWaalsContact C-N 3.27Å; A181-G183 PolarHBondContact O-N 2.92Å
184	D	97.5	Very high	97.5	Very high	63 Å²	63	63.3 Å²	63.3	34%	0.337	33%	0.333	S	S	.	.			trans	-105.1	116.7	179	-173.8	-6.2	0	0	0	111.3	A181 G182 N186 N187	A181-D184 WeakPolarHBondContact CB-O 3.07Å; A181-D184 PolarHBondContact O-N 3Å; G182-D184 VanDerWaalsContact C-N 3.35Å; D184-N186 PolarHBondContact O-N 2.8Å; D184-N186 VanDerWaalsContact O-N 3.12Å; D184-N186 VanDerWaalsContact OD1-CB 3.3Å; D184-N186 WeakPolarHBondContact OD1-CB 3.43Å; D184-N186 PolarHBondContact OD1-N 3.03Å; D184-N186 PolarHBondContact OD1-ND2 3.16Å; D184-N187 PolarHBondContact O-N 3.12Å; D184-N187 VanDerWaalsContact O-N 3.09Å
185	P	97.1	Very high	97.5	Very high	19 Å²	19	60.5 Å²	60.5	12%	0.123	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-62.2	-19.2	177.8	27.1	-35.6	0	0	0	113.4	K37 Y38 R39 L177 N187 I188	K37-P185 HydrophobicContact CB-CB 3.96Å; Y38-P185 CarbonylContact C-O 3.42Å; Y38-P185 WeakPolarHBondContact CA-O 3.39Å; R39-P185 PolarHBondContact N-O 3.12Å; L177-P185 HydrophobicContact CD1-CB 3.94Å; P185-N187 PolarHBondContact O-N 2.92Å; P185-I188 WeakPolarHBondContact O-CB 3.47Å; P185-I188 PolarHBondContact O-N 3.27Å; P185-I188 VanDerWaalsContact O-N 3.1Å
186	N	97.1	Very high	97.5	Very high	75 Å²	75	55.7 Å²	55.7	40%	0.401	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-68	-17.4	175.7	-66.9	-56.6	0	0	0	113.6	R39 D184 I188	R39-N186 WeakPolarHBondContact CB-O 3.22Å; R39-N186 WeakPolarHBondContact CD-O 3.13Å; D184-N186 PolarHBondContact O-N 2.8Å; D184-N186 VanDerWaalsContact O-N 3.12Å; D184-N186 VanDerWaalsContact OD1-CB 3.3Å; D184-N186 WeakPolarHBondContact OD1-CB 3.43Å; D184-N186 PolarHBondContact OD1-N 3.03Å; D184-N186 PolarHBondContact OD1-ND2 3.16Å; N186-I188 VanDerWaalsContact C-N 3.3Å
187	N	97.9	Very high	97.5	Very high	106 Å²	106	55.4 Å²	55.4	57%	0.567	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-85.2	-3.7	174.2	-66.3	-29.6	0	0	0	112.7	A181 D184 P185	A181-N187 HydrophobicContact CB-CB 3.91Å; A181-N187 PolarHBondContact O-ND2 3.43Å; D184-N187 PolarHBondContact O-N 3.12Å; D184-N187 VanDerWaalsContact O-N 3.09Å; P185-N187 PolarHBondContact O-N 2.92Å
188	I	98.3	Very high	97.5	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	32%	0.322	C	S	.	.			trans	-92.6	124.8	176.4	-54.8	175.6	0	0	0	109	I36 R39 L177 A181 P185 N186 D192 A193	I36-I188 HydrophobicContact CD1-CD1 4.11Å; I36-I188 HydrophobicContact CG1-CD1 4.49Å; R39-I188 WeakPolarHBondContact CB-O 3.43Å; R39-I188 PolarHBondContact N-O 3.33Å; L177-I188 HydrophobicContact CB-CD1 4.41Å; L177-I188 HydrophobicContact CD1-CD1 3.73Å; A181-I188 HydrophobicContact CB-CD1 4.05Å; A181-I188 HydrophobicContact CB-CG1 3.43Å; A181-I188 VanDerWaalsContact CB-CG1 3.43Å; P185-I188 WeakPolarHBondContact O-CB 3.47Å; P185-I188 PolarHBondContact O-N 3.27Å; P185-I188 VanDerWaalsContact O-N 3.1Å; N186-I188 VanDerWaalsContact C-N 3.3Å; I188-D192 HydrophobicContact CG2-CB 4Å; I188-A193 HydrophobicContact CG2-CB 4.05Å
189	T	98.1	Very high	97.5	Very high	41 Å²	41	55.8 Å²	55.8	25%	0.252	32%	0.321	S	S	.	.			trans	-79	160.1	171.9	67.1	0	0	0	0	111.3	E191 D192 A193	T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 3.21Å; T189-D192 PolarHBondContact O-N 3.39Å; T189-D192 WeakPolarHBondContact OG1-CB 3.42Å; T189-D192 PolarHBondContact OG1-N 3.47Å; T189-D192 VanDerWaalsContact OG1-N 3.13Å; T189-D192 PolarHBondContact OG1-OD2 2.96Å; T189-A193 PolarHBondContact O-N 2.78Å
190	E	98.1	Very high	97.6	Very high	70 Å²	70	49.5 Å²	49.5	33%	0.327	29%	0.289	S	S	.	.	H	α-helix	trans	-57.6	-42.2	175.2	-171.4	177.9	118.6	0	0	111.3	Y38 D192 A193 I194 I219 N221	Y38-E190 HydrophobicContact CD2-CB 3.95Å; Y38-E190 HydrophobicContact CD2-CG 4.47Å; Y38-E190 HydrophobicContact CE1-CG 4.41Å; Y38-E190 HydrophobicContact CE2-CB 3.56Å; Y38-E190 HydrophobicContact CE2-CG 3.76Å; Y38-E190 PolarHBondContact OH-OE2 3.45Å; E190-D192 PolarHBondContact O-N 3.24Å; E190-A193 WeakPolarHBondContact O-CB 3.46Å; E190-A193 PolarHBondContact O-N 3.31Å; E190-I194 HydrophobicContact CG-CD1 3.93Å; E190-I194 VanDerWaalsContact O-CG1 3.28Å; E190-I194 WeakPolarHBondContact O-CG1 3.33Å; E190-I194 PolarHBondContact O-N 3.07Å; E190-I219 HydrophobicContact CG-CG2 4.26Å; E190-N221 PolarHBondContact OE2-ND2 2.86Å; E190-N221 VanDerWaalsContact OE2-ND2 3.12Å
191	E	98.2	Very high	97.7	Very high	161 Å²	161	43.6 Å²	43.6	75%	0.752	26%	0.263	S	S	*	.	H	α-helix	trans	-60.6	-43.8	176.7	-64	178.4	-176.4	0	0	112.2	T189 A193 I194 S195	T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 3.21Å; E191-A193 VanDerWaalsContact C-N 3.35Å; E191-I194 PolarHBondContact O-N 3.12Å; E191-S195 VanDerWaalsContact O-CB 3.25Å; E191-S195 WeakPolarHBondContact O-CB 3.36Å; E191-S195 PolarHBondContact O-N 2.67Å
192	D	98.1	Very high	97.7	Very high	40 Å²	40	46.8 Å²	46.8	21%	0.214	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-39.7	176.8	-72.6	-36.6	0	0	0	112	K180 I188 T189 E190 S195 T196	K180-D192 WeakPolarHBondContact CE-OD2 3.46Å; K180-D192 IonicContact NZ-OD1 2.62Å; K180-D192 PolarHBondContact NZ-OD1 2.85Å; K180-D192 IonicContact NZ-OD2 3.38Å; K180-D192 PolarHBondContact NZ-OD2 2.99Å; I188-D192 HydrophobicContact CG2-CB 4Å; T189-D192 PolarHBondContact O-N 3.39Å; T189-D192 WeakPolarHBondContact OG1-CB 3.42Å; T189-D192 PolarHBondContact OG1-N 3.47Å; T189-D192 VanDerWaalsContact OG1-N 3.13Å; T189-D192 PolarHBondContact OG1-OD2 2.96Å; E190-D192 PolarHBondContact O-N 3.24Å; D192-S195 PolarHBondContact O-N 3.26Å; D192-T196 VanDerWaalsContact O-CB 3.28Å; D192-T196 WeakPolarHBondContact O-CB 3.28Å; D192-T196 PolarHBondContact O-N 2.86Å; D192-T196 PolarHBondContact O-OG1 3.07Å
193	A	98.5	Very high	97.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-49.9	175.4	0	0	0	0	0	110.9	I36 Y38 V43 I188 T189 E190 E191 S195 T196 M197	I36-A193 HydrophobicContact CG2-CB 4.08Å; Y38-A193 HydrophobicContact CD1-CB 3.81Å; Y38-A193 HydrophobicContact CG-CB 3.94Å; V43-A193 HydrophobicContact CG2-CB 3.86Å; I188-A193 HydrophobicContact CG2-CB 4.05Å; T189-A193 PolarHBondContact O-N 2.78Å; E190-A193 WeakPolarHBondContact O-CB 3.46Å; E190-A193 PolarHBondContact O-N 3.31Å; E191-A193 VanDerWaalsContact C-N 3.35Å; A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.43Å; A193-T196 PolarHBondContact O-N 3.4Å; A193-M197 WeakPolarHBondContact O-CB 3.17Å; A193-M197 WeakPolarHBondContact O-CG 3.2Å; A193-M197 PolarHBondContact O-N 3.28Å
194	I	98.4	Very high	97.8	Very high	47 Å²	47	45.4 Å²	45.4	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-44.2	177.3	-67.9	165.7	0	0	0	111.1	V43 E190 E191 M197 T198 M217 I219	V43-I194 HydrophobicContact CG2-CG1 4.37Å; E190-I194 HydrophobicContact CG-CD1 3.93Å; E190-I194 VanDerWaalsContact O-CG1 3.28Å; E190-I194 WeakPolarHBondContact O-CG1 3.33Å; E190-I194 PolarHBondContact O-N 3.07Å; E191-I194 PolarHBondContact O-N 3.12Å; I194-M197 PolarHBondContact O-N 2.86Å; I194-T198 WeakPolarHBondContact O-CB 3.31Å; I194-T198 PolarHBondContact O-N 2.9Å; I194-T198 PolarHBondContact O-OG1 2.97Å; I194-M217 HydrophobicContact CB-SD 4.27Å; I194-M217 HydrophobicContact CG1-SD 4.04Å; I194-M217 HydrophobicContact CG2-CE 4.28Å; I194-M217 HydrophobicContact CG2-SD 3.92Å; I194-I219 HydrophobicContact CD1-CD1 3.61Å; I194-I219 HydrophobicContact CD1-CG1 4.41Å; I194-I219 HydrophobicContact CG1-CD1 4.09Å; I194-I219 HydrophobicContact CG1-CG1 4.44Å
195	S	98	Very high	97.7	Very high	69 Å²	69	45.6 Å²	45.6	48%	0.483	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-43.9	179	-176.1	0	0	0	0	112.1	E191 D192 A193 T198 S199	E191-S195 VanDerWaalsContact O-CB 3.25Å; E191-S195 WeakPolarHBondContact O-CB 3.36Å; E191-S195 PolarHBondContact O-N 2.67Å; D192-S195 PolarHBondContact O-N 3.26Å; A193-S195 VanDerWaalsContact C-N 3.33Å; A193-S195 PolarHBondContact O-N 3.43Å; S195-T198 PolarHBondContact O-N 3.47Å; S195-S199 WeakPolarHBondContact O-CB 3.43Å; S195-S199 PolarHBondContact O-N 3.26Å; S195-S199 PolarHBondContact O-OG 3.05Å
196	T	98.4	Very high	97.5	Very high	15 Å²	15	47.7 Å²	47.7	9%	0.092	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-46.3	176.2	-56.3	0	0	0	0	110.7	I172 L173 C176 D192 A193 T198 S199 A200	I172-T196 HydrophobicContact CG2-CG2 3.97Å; L173-T196 HydrophobicContact CD2-CG2 3.98Å; C176-T196 HydrophobicContact CB-CG2 3.53Å; C176-T196 PolarHBondContact SG-OG1 2.86Å; D192-T196 VanDerWaalsContact O-CB 3.28Å; D192-T196 WeakPolarHBondContact O-CB 3.28Å; D192-T196 PolarHBondContact O-N 2.86Å; D192-T196 PolarHBondContact O-OG1 3.07Å; A193-T196 PolarHBondContact O-N 3.4Å; T196-T198 PolarHBondContact O-N 2.89Å; T196-S199 WeakPolarHBondContact O-CB 3.26Å; T196-S199 PolarHBondContact O-N 2.87Å; T196-A200 WeakPolarHBondContact O-CB 3.46Å; T196-A200 PolarHBondContact O-N 2.82Å
197	M	98.3	Very high	97.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-42.5	178.8	-69.6	-65.8	-71.1	0	0	111.7	I34 I36 V43 A45 L173 A193 I194 S199 A200 M201 M217	I34-M197 HydrophobicContact CB-CE 4.16Å; I34-M197 HydrophobicContact CD1-CE 3.7Å; I34-M197 HydrophobicContact CD1-SD 3.95Å; I34-M197 HydrophobicContact CG1-CE 3.53Å; I34-M197 HydrophobicContact CG1-SD 4.28Å; I34-M197 WeakPolarHBondContact O-CE 3.49Å; I36-M197 HydrophobicContact CB-SD 4.21Å; I36-M197 HydrophobicContact CG2-CG 3.68Å; I36-M197 HydrophobicContact CG2-SD 3.67Å; V43-M197 HydrophobicContact CB-CG 4.12Å; V43-M197 HydrophobicContact CG1-CB 4.26Å; V43-M197 HydrophobicContact CG1-CE 4.3Å; V43-M197 HydrophobicContact CG1-CG 3.81Å; A45-M197 HydrophobicContact CB-CE 3.65Å; L173-M197 HydrophobicContact CD2-SD 3.74Å; A193-M197 WeakPolarHBondContact O-CB 3.17Å; A193-M197 WeakPolarHBondContact O-CG 3.2Å; A193-M197 PolarHBondContact O-N 3.28Å; I194-M197 PolarHBondContact O-N 2.86Å; M197-S199 VanDerWaalsContact C-N 3.34Å; M197-S199 PolarHBondContact O-N 3.46Å; M197-A200 PolarHBondContact O-N 3.37Å; M197-M201 WeakPolarHBondContact O-CG 3.49Å; M197-M201 PolarHBondContact O-N 3.21Å; M197-M217 HydrophobicContact CB-CE 3.9Å
198	T	97.9	Very high	97.2	Very high	45 Å²	45	47.9 Å²	47.9	28%	0.276	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-41.9	174.9	-56.6	0	0	0	0	111.4	I194 S195 T196 M201 K202 L233	I194-T198 WeakPolarHBondContact O-CB 3.31Å; I194-T198 PolarHBondContact O-N 2.9Å; I194-T198 PolarHBondContact O-OG1 2.97Å; S195-T198 PolarHBondContact O-N 3.47Å; T196-T198 PolarHBondContact O-N 2.89Å; T198-M201 PolarHBondContact O-N 3.24Å; T198-K202 WeakPolarHBondContact O-CB 3.41Å; T198-K202 PolarHBondContact O-N 2.91Å; T198-L233 HydrophobicContact CG2-CD2 4.19Å
199	S	97.5	Very high	97	Very high	59 Å²	59	53.3 Å²	53.3	41%	0.413	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-40.8	177	-59.9	0	0	0	0	111.8	S195 T196 M197 K202 Q203	S195-S199 WeakPolarHBondContact O-CB 3.43Å; S195-S199 PolarHBondContact O-N 3.26Å; S195-S199 PolarHBondContact O-OG 3.05Å; T196-S199 WeakPolarHBondContact O-CB 3.26Å; T196-S199 PolarHBondContact O-N 2.87Å; M197-S199 VanDerWaalsContact C-N 3.34Å; M197-S199 PolarHBondContact O-N 3.46Å; S199-K202 WeakPolarHBondContact O-CB 3.48Å; S199-K202 PolarHBondContact O-N 3.49Å; S199-Q203 PolarHBondContact O-N 3.34Å
200	A	98.1	Very high	96.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-43.4	174.6	0	0	0	0	0	112.4	I34 A169 I172 L173 T196 M197 K202 Q203 L204	I34-A200 HydrophobicContact CD1-CB 3.58Å; A169-A200 HydrophobicContact CB-CB 3.94Å; I172-A200 HydrophobicContact CG2-CB 4.34Å; L173-A200 HydrophobicContact CD2-CB 4.41Å; T196-A200 WeakPolarHBondContact O-CB 3.46Å; T196-A200 PolarHBondContact O-N 2.82Å; M197-A200 PolarHBondContact O-N 3.37Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 2.65Å; A200-Q203 PolarHBondContact O-N 3.28Å; A200-L204 WeakPolarHBondContact O-CG 3.47Å; A200-L204 PolarHBondContact O-N 2.91Å
201	M	97.9	Very high	96.7	Very high	4 Å²	4	53 Å²	53	2%	0.02	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-39.5	173.8	-70.6	-53.3	-60.8	0	0	111.9	I34 A45 D47 M197 T198 L204 Y205 Y215 L233	I34-M201 HydrophobicContact CD1-CG 4.05Å; I34-M201 HydrophobicContact CD1-SD 3.72Å; I34-M201 HydrophobicContact CG1-SD 3.94Å; A45-M201 HydrophobicContact CB-CG 3.97Å; A45-M201 HydrophobicContact CB-SD 3.94Å; D47-M201 HydrophobicContact CB-CE 3.94Å; M197-M201 WeakPolarHBondContact O-CG 3.49Å; M197-M201 PolarHBondContact O-N 3.21Å; T198-M201 PolarHBondContact O-N 3.24Å; M201-L204 PolarHBondContact O-N 3.07Å; M201-L204 HydrophobicContact SD-CD1 4.08Å; M201-Y205 PolarHBondContact O-N 3.46Å; M201-Y215 HydrophobicContact CE-CD2 4.45Å; M201-Y215 HydrophobicContact CE-CG 4.17Å; M201-Y215 HydrophobicContact CG-CD2 3.99Å; M201-Y215 HydrophobicContact CG-CE2 4.19Å; M201-Y215 HydrophobicContact CG-CG 4.39Å; M201-L233 HydrophobicContact CB-CD1 4.25Å; M201-L233 HydrophobicContact CB-CD2 4.08Å
202	K	96.3	Very high	96.6	Very high	70 Å²	70	47.6 Å²	47.6	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-44.4	174.5	-173.5	168	176.8	165.2	0	112.2	T198 S199 A200 L204 Y205 F206 L233 K234	T198-K202 WeakPolarHBondContact O-CB 3.41Å; T198-K202 PolarHBondContact O-N 2.91Å; S199-K202 WeakPolarHBondContact O-CB 3.48Å; S199-K202 PolarHBondContact O-N 3.49Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 2.65Å; K202-L204 VanDerWaalsContact C-N 3.32Å; K202-L204 PolarHBondContact O-N 2.91Å; K202-Y205 PolarHBondContact O-N 3.31Å; K202-F206 HydrophobicContact CD-CE2 4.06Å; K202-F206 HydrophobicContact CD-CZ 4.36Å; K202-F206 VanDerWaalsContact CE-CZ 3.44Å; K202-F206 HydrophobicContact CG-CD2 4.02Å; K202-F206 HydrophobicContact CG-CE2 3.55Å; K202-F206 HydrophobicContact CG-CZ 3.97Å; K202-F206 WeakPolarHBondContact O-CD2 3.48Å; K202-F206 WeakPolarHBondContact O-CG 3.32Å; K202-F206 PolarHBondContact O-N 3.1Å; K202-L233 HydrophobicContact CB-CD2 4.22Å; K202-K234 WeakPolarHBondContact CE-O 3.39Å; K202-K234 PolarHBondContact NZ-O 2.7Å
203	Q	96	Very high	96.5	Very high	66 Å²	66	47.1 Å²	47.1	31%	0.308	24%	0.238	S	C	.	.	H	α-helix	trans	-63.9	-38.5	176.6	-177.3	64.5	2.7	0	0	112.1	I172 S199 A200 F206 R207	I172-Q203 HydrophobicContact CD1-CB 3.58Å; I172-Q203 HydrophobicContact CD1-CG 3.9Å; S199-Q203 PolarHBondContact O-N 3.34Å; A200-Q203 PolarHBondContact O-N 3.28Å; Q203-F206 PolarHBondContact O-N 2.89Å; Q203-R207 WeakPolarHBondContact O-CB 3.46Å; Q203-R207 PolarHBondContact O-N 2.91Å
204	L	97.3	Very high	96.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-50	174.1	-73	167.7	0	0	0	110.9	I34 L168 A169 A200 M201 K202 F206 R207 D208 A211	I34-L204 HydrophobicContact CG2-CD1 4.27Å; L168-L204 HydrophobicContact CB-CD2 3.95Å; L168-L204 HydrophobicContact CD1-CD2 4.15Å; A169-L204 HydrophobicContact CB-CD1 4.18Å; A169-L204 HydrophobicContact CB-CD2 4.5Å; A169-L204 HydrophobicContact CB-CG 4.29Å; A200-L204 WeakPolarHBondContact O-CG 3.47Å; A200-L204 PolarHBondContact O-N 2.91Å; M201-L204 PolarHBondContact O-N 3.07Å; M201-L204 HydrophobicContact SD-CD1 4.08Å; K202-L204 VanDerWaalsContact C-N 3.32Å; K202-L204 PolarHBondContact O-N 2.91Å; L204-F206 PolarHBondContact O-N 3.39Å; L204-R207 PolarHBondContact O-N 3.18Å; L204-R207 VanDerWaalsContact O-N 3.12Å; L204-D208 VanDerWaalsContact O-CB 3.31Å; L204-D208 WeakPolarHBondContact O-CB 3.47Å; L204-D208 PolarHBondContact O-N 3.22Å; L204-A211 HydrophobicContact CB-CB 4.27Å
205	Y	95.8	Very high	96.5	Very high	66 Å²	66	45.8 Å²	45.8	26%	0.259	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-36.7	178.2	178.5	-118.1	0	0	0	113.2	M201 K202 F212 D213 L233 C235 W237	M201-Y205 PolarHBondContact O-N 3.46Å; K202-Y205 PolarHBondContact O-N 3.31Å; Y205-F212 VanDerWaalsContact CD2-C 3.44Å; Y205-D213 HydrophobicContact CD1-CB 4.43Å; Y205-D213 HydrophobicContact CD2-CB 4.22Å; Y205-D213 HydrophobicContact CE1-CB 4.11Å; Y205-D213 HydrophobicContact CE2-CB 3.88Å; Y205-D213 HydrophobicContact CG-CB 4.47Å; Y205-L233 HydrophobicContact CG-CD1 4.34Å; Y205-C235 WeakPolarHBondContact CD1-SG 3.45Å; Y205-C235 HydrophobicContact CE1-CB 4.38Å; Y205-C235 WeakPolarHBondContact CE1-SG 2.99Å; Y205-W237 HydrophobicContact CE1-CZ2 4.06Å
206	F	93.8	Very high	96.5	Very high	64 Å²	64	42.8 Å²	42.8	28%	0.281	21%	0.209	S	C	.	.	H	α-helix	trans	-75.1	-21.2	178.8	-69.7	-30.5	0	0	0	115.2	K202 Q203 L204 C235 W237	K202-F206 HydrophobicContact CD-CE2 4.06Å; K202-F206 HydrophobicContact CD-CZ 4.36Å; K202-F206 VanDerWaalsContact CE-CZ 3.44Å; K202-F206 HydrophobicContact CG-CD2 4.02Å; K202-F206 HydrophobicContact CG-CE2 3.55Å; K202-F206 HydrophobicContact CG-CZ 3.97Å; K202-F206 WeakPolarHBondContact O-CD2 3.48Å; K202-F206 WeakPolarHBondContact O-CG 3.32Å; K202-F206 PolarHBondContact O-N 3.1Å; Q203-F206 PolarHBondContact O-N 2.89Å; L204-F206 PolarHBondContact O-N 3.39Å; F206-C235 HydrophobicContact CE1-CB 4.04Å; F206-C235 HydrophobicContact CZ-CB 4.35Å; F206-W237 HydrophobicContact CD1-CH2 4.06Å; F206-W237 HydrophobicContact CD1-CZ2 4.22Å; F206-W237 HydrophobicContact CE1-CH2 4.32Å; F206-W237 HydrophobicContact CE1-CZ2 4.15Å
207	R	93.9	Very high	96.5	Very high	174 Å²	174	42.2 Å²	42.2	66%	0.657	21%	0.206	S	C	*	.	H	α-helix	trans	-127.7	-26.9	-167.2	-62.6	-60.4	-175.8	-178	0.9	114.9	L168 Q203 L204	L168-R207 HydrophobicContact CD1-CB 3.73Å; L168-R207 HydrophobicContact CD2-CB 3.87Å; L168-R207 HydrophobicContact CD2-CG 4.41Å; L168-R207 HydrophobicContact CG-CB 4.41Å; Q203-R207 WeakPolarHBondContact O-CB 3.46Å; Q203-R207 PolarHBondContact O-N 2.91Å; L204-R207 PolarHBondContact O-N 3.18Å; L204-R207 VanDerWaalsContact O-N 3.12Å
208	D	95.3	Very high	96.5	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.059	21%	0.206	C	C	.	.			trans	-90.2	112.7	175	-177.6	-8.7	0	0	0	109.1	F164 L168 L204 R210 A211	F164-D208 HydrophobicContact CB-CB 4.44Å; L168-D208 HydrophobicContact CD1-CB 4.06Å; L204-D208 VanDerWaalsContact O-CB 3.31Å; L204-D208 WeakPolarHBondContact O-CB 3.47Å; L204-D208 PolarHBondContact O-N 3.22Å; D208-R210 PolarHBondContact O-N 2.94Å; D208-R210 PolarHBondContact OD1-N 2.9Å; D208-A211 HydrophobicContact CB-CB 3.78Å; D208-A211 PolarHBondContact O-N 2.93Å
209	C	93.1	Very high	96.5	Very high	116 Å²	116	40.5 Å²	40.5	78%	0.784	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-8.7	-179.7	-59.6	0	0	0	0	114.2
210	R	94.3	Very high	96.5	Very high	93 Å²	93	37.7 Å²	37.7	35%	0.351	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	11.4	-179.3	-59.2	-66.6	169.4	-146.2	-7.9	112.1	T31 L49 S54 D208	T31-R210 HydrophobicContact CG2-CB 3.3Å; T31-R210 HydrophobicContact CG2-CG 4.46Å; T31-R210 WeakPolarHBondContact CG2-O 3.26Å; T31-R210 PolarHBondContact OG1-O 3.12Å; L49-R210 WeakPolarHBondContact CD2-O 3.2Å; S54-R210 VanDerWaalsContact C-NH1 3.34Å; S54-R210 VanDerWaalsContact CA-CZ 3.47Å; S54-R210 VanDerWaalsContact CA-NH1 3.31Å; S54-R210 PolarHBondContact O-NH1 2.99Å; D208-R210 PolarHBondContact O-N 2.94Å; D208-R210 PolarHBondContact OD1-N 2.9Å
211	A	95.4	Very high	96.5	Very high	12 Å²	12	38.7 Å²	38.7	10%	0.099	18%	0.18	C	C	.	.			trans	-90.1	158.8	171.1	0	0	0	0	0	111.9	D47 L204 D208	D47-A211 WeakPolarHBondContact OD2-CA 3.46Å; L204-A211 HydrophobicContact CB-CB 4.27Å; D208-A211 HydrophobicContact CB-CB 3.78Å; D208-A211 PolarHBondContact O-N 2.93Å
212	F	96.4	Very high	96.4	Very high	46 Å²	46	45.6 Å²	45.6	20%	0.202	21%	0.21	C	C	.	.			trans	-128.6	158.1	-177.9	-156.8	-120.2	0	0	0	113.1	D47 L49 M59 Y205 T214	D47-F212 HydrophobicContact CB-CB 4.29Å; D47-F212 PolarHBondContact OD2-N 2.81Å; L49-F212 HydrophobicContact CB-CB 3.55Å; L49-F212 HydrophobicContact CB-CG 4.07Å; L49-F212 HydrophobicContact CD2-CB 3.95Å; L49-F212 HydrophobicContact CD2-CD2 4.27Å; L49-F212 HydrophobicContact CD2-CG 4.38Å; L49-F212 HydrophobicContact CG-CB 4.34Å; M59-F212 HydrophobicContact CB-CE1 3.91Å; M59-F212 HydrophobicContact CB-CZ 4.02Å; M59-F212 HydrophobicContact CG-CE1 4.39Å; M59-F212 HydrophobicContact CG-CE2 4.46Å; M59-F212 HydrophobicContact CG-CZ 4.04Å; M59-F212 HydrophobicContact SD-CE2 4.31Å; M59-F212 HydrophobicContact SD-CZ 3.87Å; Y205-F212 VanDerWaalsContact CD2-C 3.44Å; F212-T214 PolarHBondContact O-N 2.93Å
213	D	96.1	Very high	96.3	Very high	30 Å²	30	50.4 Å²	50.4	16%	0.16	23%	0.234	C	C	.	.	S	Bend	trans	-74.7	-17.2	-176	77	-34	0	0	0	113	Y205 R232 L233	Y205-D213 HydrophobicContact CD1-CB 4.43Å; Y205-D213 HydrophobicContact CD2-CB 4.22Å; Y205-D213 HydrophobicContact CE1-CB 4.11Å; Y205-D213 HydrophobicContact CE2-CB 3.88Å; Y205-D213 HydrophobicContact CG-CB 4.47Å; D213-R232 IonicContact OD1-NH1 3.59Å; D213-R232 IonicContact OD2-NH1 3.04Å; D213-R232 PolarHBondContact OD2-NH1 3.28Å; D213-L233 WeakPolarHBondContact O-CG 3.2Å; D213-L233 PolarHBondContact O-N 2.83Å
214	T	97.6	Very high	96.2	Very high	7 Å²	7	48 Å²	48	4%	0.043	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.5	-174.5	-53.2	0	0	0	0	110.2	D47 M48 F212 P230 L231 R232	D47-T214 WeakPolarHBondContact CA-O 3.01Å; M48-T214 PolarHBondContact N-O 2.86Å; M48-T214 HydrophobicContact SD-CG2 4.03Å; F212-T214 PolarHBondContact O-N 2.93Å; T214-P230 HydrophobicContact CG2-CB 3.58Å; T214-L231 CarbonylContact C-O 3.54Å; T214-L231 VanDerWaalsContact CA-O 3.27Å; T214-L231 WeakPolarHBondContact CA-O 3.49Å; T214-R232 PolarHBondContact OG1-NH1 2.89Å
215	Y	98.1	Very high	96.3	Very high	12 Å²	12	48.9 Å²	48.9	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	164.9	-171.3	71.9	-77.4	0	0	0	113.5	A45 A46 M201 M217 L231 L233	A45-Y215 HydrophobicContact CB-CD2 4.44Å; A46-Y215 WeakPolarHBondContact O-CA 3.49Å; A46-Y215 WeakPolarHBondContact O-CB 3.41Å; M201-Y215 HydrophobicContact CE-CD2 4.45Å; M201-Y215 HydrophobicContact CE-CG 4.17Å; M201-Y215 HydrophobicContact CG-CD2 3.99Å; M201-Y215 HydrophobicContact CG-CE2 4.19Å; M201-Y215 HydrophobicContact CG-CG 4.39Å; Y215-M217 HydrophobicContact CE2-CB 4.31Å; Y215-M217 HydrophobicContact CE2-CE 3.81Å; Y215-L231 HydrophobicContact CD1-CB 4.01Å; Y215-L231 WeakPolarHBondContact CD1-O 3.46Å; Y215-L231 HydrophobicContact CD2-CB 4.46Å; Y215-L231 HydrophobicContact CD2-CD1 4.42Å; Y215-L231 HydrophobicContact CE1-CB 3.62Å; Y215-L231 HydrophobicContact CE2-CB 4.13Å; Y215-L231 HydrophobicContact CE2-CD1 3.74Å; Y215-L231 HydrophobicContact CG-CB 4.4Å; Y215-L231 PolarHBondContact N-O 3.09Å; Y215-L231 PolarHBondContact O-N 3.22Å; Y215-L233 HydrophobicContact CD1-CD1 4.47Å; Y215-L233 HydrophobicContact CD1-CD2 4.14Å; Y215-L233 HydrophobicContact CD1-CG 3.89Å; Y215-L233 HydrophobicContact CE1-CD2 3.51Å; Y215-L233 HydrophobicContact CE1-CG 3.68Å
216	Q	98.3	Very high	96.3	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148.9	169.9	-62.9	-176.4	-65.4	0	0	110.3	A45 A46 M48 E62 M64 I227 N228	A45-Q216 VanDerWaalsContact CA-O 3.32Å; A45-Q216 WeakPolarHBondContact CA-O 3.27Å; A46-Q216 PolarHBondContact N-O 2.94Å; A46-Q216 VanDerWaalsContact N-O 3.12Å; A46-Q216 PolarHBondContact O-N 2.86Å; M48-Q216 HydrophobicContact CE-CG 4.16Å; M48-Q216 HydrophobicContact CG-CG 3.92Å; M48-Q216 HydrophobicContact SD-CG 3.73Å; E62-Q216 VanDerWaalsContact CA-OE1 3.32Å; E62-Q216 VanDerWaalsContact CB-OE1 3.28Å; E62-Q216 PolarHBondContact OE1-NE2 3.06Å; M64-Q216 HydrophobicContact CE-CB 3.74Å; M64-Q216 VanDerWaalsContact CE-O 3.25Å; M64-Q216 WeakPolarHBondContact CE-O 3.18Å; M64-Q216 HydrophobicContact CG-CB 4.13Å; M64-Q216 HydrophobicContact SD-CB 3.59Å; M64-Q216 VanDerWaalsContact SD-CB 3.59Å; Q216-I227 HydrophobicContact CB-CG2 4.45Å; Q216-N228 CarbonylContact C-O 3.54Å; Q216-N228 VanDerWaalsContact CA-O 3.28Å; Q216-N228 WeakPolarHBondContact CA-O 3.31Å
217	M	98.5	Very high	96.5	Very high	4 Å²	4	50 Å²	50	2%	0.02	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.7	175	-173	-179	-63.7	0	0	109.9	V43 L44 I194 M197 Y215 N228 L231	V43-M217 HydrophobicContact CG1-CG 3.49Å; V43-M217 VanDerWaalsContact CG1-CG 3.49Å; V43-M217 HydrophobicContact CG1-SD 3.58Å; V43-M217 VanDerWaalsContact CG1-SD 3.58Å; L44-M217 CarbonylContact O-C 3.59Å; L44-M217 VanDerWaalsContact O-CA 3.3Å; L44-M217 WeakPolarHBondContact O-CA 3.42Å; I194-M217 HydrophobicContact CB-SD 4.27Å; I194-M217 HydrophobicContact CG1-SD 4.04Å; I194-M217 HydrophobicContact CG2-CE 4.28Å; I194-M217 HydrophobicContact CG2-SD 3.92Å; M197-M217 HydrophobicContact CB-CE 3.9Å; Y215-M217 HydrophobicContact CE2-CB 4.31Å; Y215-M217 HydrophobicContact CE2-CE 3.81Å; M217-N228 PolarHBondContact N-O 3.29Å; M217-N228 PolarHBondContact O-N 2.85Å; M217-L231 HydrophobicContact CB-CD1 3.9Å
218	A	98.5	Very high	96.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.6	172.9	0	0	0	0	0	109.8	V43 L44 M64 V72 Q226 I227	V43-A218 CarbonylContact C-O 3.55Å; V43-A218 VanDerWaalsContact CA-O 3.27Å; V43-A218 WeakPolarHBondContact CA-O 3.4Å; L44-A218 HydrophobicContact CB-CB 4.41Å; L44-A218 PolarHBondContact N-O 3.4Å; L44-A218 PolarHBondContact O-N 3Å; M64-A218 HydrophobicContact SD-CB 3.96Å; V72-A218 HydrophobicContact CG1-CB 4.19Å; V72-A218 HydrophobicContact CG2-CB 3.93Å; A218-Q226 CarbonylContact C-O 3.38Å; A218-Q226 VanDerWaalsContact CA-O 3.31Å; A218-Q226 WeakPolarHBondContact CA-O 3Å; A218-I227 HydrophobicContact CB-CG1 4.1Å
219	I	98.4	Very high	96.5	Very high	8 Å²	8	46 Å²	46	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.2	171.9	-56.8	166.8	0	0	0	106.8	Y38 V43 E190 I194 I225 Q226	Y38-I219 WeakPolarHBondContact OH-CG2 3.38Å; V43-I219 HydrophobicContact CG2-CG1 4.46Å; E190-I219 HydrophobicContact CG-CG2 4.26Å; I194-I219 HydrophobicContact CD1-CD1 3.61Å; I194-I219 HydrophobicContact CD1-CG1 4.41Å; I194-I219 HydrophobicContact CG1-CD1 4.09Å; I194-I219 HydrophobicContact CG1-CG1 4.44Å; I219-I225 WeakPolarHBondContact O-CA 3.39Å; I219-Q226 PolarHBondContact N-O 3.26Å; I219-Q226 PolarHBondContact O-N 2.98Å
220	V	98.3	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.9	179.1	-173.2	0	0	0	0	108.8	Y38 G41 V42 V72 L137 G224 I225	Y38-V220 PolarHBondContact OH-O 3.16Å; G41-V220 CarbonylContact C-O 3.42Å; G41-V220 WeakPolarHBondContact CA-O 3.46Å; V42-V220 HydrophobicContact CG2-CB 3.7Å; V42-V220 HydrophobicContact CG2-CG1 4.49Å; V42-V220 HydrophobicContact CG2-CG2 3.91Å; V42-V220 PolarHBondContact N-O 3.26Å; V42-V220 PolarHBondContact O-N 2.97Å; V72-V220 HydrophobicContact CB-CG2 4.39Å; V72-V220 HydrophobicContact CG1-CG2 3.69Å; L137-V220 HydrophobicContact CG-CG1 4.31Å; V220-G224 WeakPolarHBondContact CA-O 3.44Å; V220-I225 HydrophobicContact CB-CG1 4.29Å; V220-I225 HydrophobicContact CG1-CD1 4.35Å; V220-I225 HydrophobicContact CG1-CG1 3.77Å; V220-I225 HydrophobicContact CG2-CD1 4.35Å; V220-I225 HydrophobicContact CG2-CG1 3.93Å; V220-I225 HydrophobicContact CG2-CG2 4.19Å
221	N	97.3	Very high	96.8	Very high	22 Å²	22	43.3 Å²	43.3	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	-171.6	176.8	64	24.5	0	0	0	109.8	L137 E190 E223 G224	L137-N221 WeakPolarHBondContact CD1-O 3.31Å; E190-N221 PolarHBondContact OE2-ND2 2.86Å; E190-N221 VanDerWaalsContact OE2-ND2 3.12Å; N221-E223 PolarHBondContact O-N 2.87Å; N221-E223 WeakPolarHBondContact OD1-CA 3.29Å; N221-E223 VanDerWaalsContact OD1-CB 3.3Å; N221-E223 WeakPolarHBondContact OD1-CB 3.44Å; N221-E223 PolarHBondContact OD1-N 2.99Å; N221-G224 PolarHBondContact N-O 3.04Å; N221-G224 PolarHBondContact O-N 2.88Å; N221-G224 VanDerWaalsContact O-N 3.09Å; N221-G224 PolarHBondContact OD1-N 3.04Å
222	K	95.4	Very high	96.8	Very high	148 Å²	148	51 Å²	51	64%	0.643	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.7	-178.5	-66.2	179.2	-179.9	171.3	0	113.6	N40 L137 G224	N40-K222 PolarHBondContact OD1-NZ 2.86Å; L137-K222 HydrophobicContact CD1-CG 4.06Å; K222-G224 VanDerWaalsContact C-N 3.32Å
223	E	94.5	Very high	96.7	Very high	171 Å²	171	49.4 Å²	49.4	80%	0.799	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.5	177.6	-52.5	-177.7	166.4	0	0	111.7	N221	N221-E223 PolarHBondContact O-N 2.87Å; N221-E223 WeakPolarHBondContact OD1-CA 3.29Å; N221-E223 VanDerWaalsContact OD1-CB 3.3Å; N221-E223 WeakPolarHBondContact OD1-CB 3.44Å; N221-E223 PolarHBondContact OD1-N 2.99Å
224	G	94.9	Very high	96.4	Very high	16 Å²	16	57.1 Å²	57.1	17%	0.165	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.8	-147.6	174.8	0	0	0	0	0	112.4	V220 N221 K222	V220-G224 WeakPolarHBondContact CA-O 3.44Å; N221-G224 PolarHBondContact N-O 3.04Å; N221-G224 PolarHBondContact O-N 2.88Å; N221-G224 VanDerWaalsContact O-N 3.09Å; N221-G224 PolarHBondContact OD1-N 3.04Å; K222-G224 VanDerWaalsContact C-N 3.32Å
225	I	97.6	Very high	95.8	Very high	20 Å²	20	58.8 Å²	58.8	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.4	-178.3	-58.8	178.6	0	0	0	109.5	K66 N68 Q69 T71 V72 I219 V220 I227	K66-I225 HydrophobicContact CD-CB 4.31Å; K66-I225 HydrophobicContact CD-CG2 4.47Å; K66-I225 HydrophobicContact CG-CD1 4.16Å; N68-I225 VanDerWaalsContact O-CD1 3.26Å; N68-I225 WeakPolarHBondContact O-CD1 3.47Å; Q69-I225 WeakPolarHBondContact O-CG1 3.46Å; T71-I225 WeakPolarHBondContact O-CD1 3.33Å; V72-I225 HydrophobicContact CB-CD1 4.49Å; I219-I225 WeakPolarHBondContact O-CA 3.39Å; V220-I225 HydrophobicContact CB-CG1 4.29Å; V220-I225 HydrophobicContact CG1-CD1 4.35Å; V220-I225 HydrophobicContact CG1-CG1 3.77Å; V220-I225 HydrophobicContact CG2-CD1 4.35Å; V220-I225 HydrophobicContact CG2-CG1 3.93Å; V220-I225 HydrophobicContact CG2-CG2 4.19Å; I225-I227 HydrophobicContact CG2-CG1 4.16Å
226	Q	97.3	Very high	95.1	Very high	97 Å²	97	63 Å²	63	45%	0.453	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.4	170.7	-59.1	179	17.7	0	0	108.7	A218 I219	A218-Q226 CarbonylContact C-O 3.38Å; A218-Q226 VanDerWaalsContact CA-O 3.31Å; A218-Q226 WeakPolarHBondContact CA-O 3Å; I219-Q226 PolarHBondContact N-O 3.26Å; I219-Q226 PolarHBondContact O-N 2.98Å
227	I	97.6	Very high	94.3	Very high	57 Å²	57	69.5 Å²	69.5	29%	0.292	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	104.7	170.8	-60.1	179.3	0	0	0	107	M64 K66 V72 Q216 A218 I225	M64-I227 HydrophobicContact CG-CG2 4.13Å; M64-I227 HydrophobicContact SD-CG2 3.81Å; K66-I227 HydrophobicContact CB-CD1 4.15Å; V72-I227 HydrophobicContact CG2-CD1 4.19Å; Q216-I227 HydrophobicContact CB-CG2 4.45Å; A218-I227 HydrophobicContact CB-CG1 4.1Å; I225-I227 HydrophobicContact CG2-CG1 4.16Å
228	N	96.9	Very high	93.7	Very high	60 Å²	60	72 Å²	72	32%	0.321	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.6	-178.9	-65.8	-34	0	0	0	109.9	Q216 M217 L231	Q216-N228 CarbonylContact C-O 3.54Å; Q216-N228 VanDerWaalsContact CA-O 3.28Å; Q216-N228 WeakPolarHBondContact CA-O 3.31Å; M217-N228 PolarHBondContact N-O 3.29Å; M217-N228 PolarHBondContact O-N 2.85Å; N228-L231 HydrophobicContact CB-CD1 4.27Å
229	G	92.1	Very high	92.8	Very high	40 Å²	40	77.1 Å²	77.1	41%	0.412	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171	164.6	176.5	0	0	0	0	0	112.6
230	P	96	Very high	91.9	Very high	95 Å²	95	79.3 Å²	79.3	62%	0.617	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-72.6	124.5	-5.6	28.6	-33.2	0	0	0	112.1	M48 T214	M48-P230 HydrophobicContact SD-CB 3.81Å; T214-P230 HydrophobicContact CG2-CB 3.58Å
231	L	96.9	Very high	91.1	Very high	59 Å²	59	87.5 Å²	87.5	31%	0.309	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.2	172.7	-61.6	174.5	0	0	0	109.1	T214 Y215 M217 N228	T214-L231 CarbonylContact C-O 3.54Å; T214-L231 VanDerWaalsContact CA-O 3.27Å; T214-L231 WeakPolarHBondContact CA-O 3.49Å; Y215-L231 HydrophobicContact CD1-CB 4.01Å; Y215-L231 WeakPolarHBondContact CD1-O 3.46Å; Y215-L231 HydrophobicContact CD2-CB 4.46Å; Y215-L231 HydrophobicContact CD2-CD1 4.42Å; Y215-L231 HydrophobicContact CE1-CB 3.62Å; Y215-L231 HydrophobicContact CE2-CB 4.13Å; Y215-L231 HydrophobicContact CE2-CD1 3.74Å; Y215-L231 HydrophobicContact CG-CB 4.4Å; Y215-L231 PolarHBondContact N-O 3.09Å; Y215-L231 PolarHBondContact O-N 3.22Å; M217-L231 HydrophobicContact CB-CD1 3.9Å; N228-L231 HydrophobicContact CB-CD1 4.27Å
232	R	96.3	Very high	90.4	Very high	173 Å²	173	95 Å²	95	65%	0.653	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.2	177	-73.1	-171.8	177.3	-84.9	-3.6	111.9	D213 T214	D213-R232 IonicContact OD1-NH1 3.59Å; D213-R232 IonicContact OD2-NH1 3.04Å; D213-R232 PolarHBondContact OD2-NH1 3.28Å; T214-R232 PolarHBondContact OG1-NH1 2.89Å
233	L	95.1	Very high	89.6	Confident	13 Å²	13	92 Å²	92	7%	0.068	47%	0.467	C	S	.	.			trans	-72.2	126.6	176.7	-68.5	169.5	0	0	0	111.3	T198 M201 K202 Y205 D213 Y215 C235	T198-L233 HydrophobicContact CG2-CD2 4.19Å; M201-L233 HydrophobicContact CB-CD1 4.25Å; M201-L233 HydrophobicContact CB-CD2 4.08Å; K202-L233 HydrophobicContact CB-CD2 4.22Å; Y205-L233 HydrophobicContact CG-CD1 4.34Å; D213-L233 WeakPolarHBondContact O-CG 3.2Å; D213-L233 PolarHBondContact O-N 2.83Å; Y215-L233 HydrophobicContact CD1-CD1 4.47Å; Y215-L233 HydrophobicContact CD1-CD2 4.14Å; Y215-L233 HydrophobicContact CD1-CG 3.89Å; Y215-L233 HydrophobicContact CE1-CD2 3.51Å; Y215-L233 HydrophobicContact CE1-CG 3.68Å; L233-C235 PolarHBondContact O-N 3.44Å; L233-C235 PolarHBondContact O-SG 2.83Å
234	K	89.7	Confident	88.9	Confident	192 Å²	192	93.5 Å²	93.5	84%	0.835	47%	0.47	S	S	*	.			trans	-75.8	106.5	169.9	-68	-176.1	-179	178.6	0	109.8	K202	K202-K234 WeakPolarHBondContact CE-O 3.39Å; K202-K234 PolarHBondContact NZ-O 2.7Å
235	C	83.8	Confident	88.1	Confident	42 Å²	42	96 Å²	96	28%	0.284	50%	0.496	S	S	.	.			trans	-103.2	136.3	-178.4	-59.5	0	0	0	0	110.4	Y205 F206 L233	Y205-C235 WeakPolarHBondContact CD1-SG 3.45Å; Y205-C235 HydrophobicContact CE1-CB 4.38Å; Y205-C235 WeakPolarHBondContact CE1-SG 2.99Å; F206-C235 HydrophobicContact CE1-CB 4.04Å; F206-C235 HydrophobicContact CZ-CB 4.35Å; L233-C235 PolarHBondContact O-N 3.44Å; L233-C235 PolarHBondContact O-SG 2.83Å
236	D	84.1	Confident	86.5	Confident	99 Å²	99	105 Å²	105	53%	0.529	53%	0.53	S	S	.	.			trans	-114.4	113.3	174.3	-178.7	2.6	0	0	0	107.7	S238	D236-S238 VanDerWaalsContact CG-OG 3.26Å; D236-S238 WeakPolarHBondContact OD1-CB 3.24Å; D236-S238 PolarHBondContact OD1-N 3.26Å; D236-S238 PolarHBondContact OD1-OG 2.96Å; D236-S238 PolarHBondContact OD2-OG 3.11Å
237	W	81.7	Confident	84.8	Confident	143 Å²	143	111.5 Å²	111.5	54%	0.542	57%	0.568	S	S	.	*			trans	-101.7	4.3	179.7	-66.3	104.8	0	0	0	112.5	Y205 F206 I239 A240	Y205-W237 HydrophobicContact CE1-CZ2 4.06Å; F206-W237 HydrophobicContact CD1-CH2 4.06Å; F206-W237 HydrophobicContact CD1-CZ2 4.22Å; F206-W237 HydrophobicContact CE1-CH2 4.32Å; F206-W237 HydrophobicContact CE1-CZ2 4.15Å; W237-I239 PolarHBondContact O-N 3.07Å; W237-I239 VanDerWaalsContact O-N 3.07Å; W237-A240 WeakPolarHBondContact O-CB 3.24Å; W237-A240 PolarHBondContact O-N 2.92Å
238	S	86	Confident	84.2	Confident	56 Å²	56	114.2 Å²	114.2	39%	0.392	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-55.9	-28.3	176.8	62	0	0	0	0	112.2	D236 A240 E241	D236-S238 VanDerWaalsContact CG-OG 3.26Å; D236-S238 WeakPolarHBondContact OD1-CB 3.24Å; D236-S238 PolarHBondContact OD1-N 3.26Å; D236-S238 PolarHBondContact OD1-OG 2.96Å; D236-S238 PolarHBondContact OD2-OG 3.11Å; S238-A240 PolarHBondContact O-N 3.16Å; S238-E241 PolarHBondContact O-N 2.79Å
239	I	79	Confident	83.5	Confident	108 Å²	108	117.1 Å²	117.1	55%	0.554	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-61.9	-26.5	175.1	-164.6	60.9	0	0	0	113.4	W237 E241 Y242	W237-I239 PolarHBondContact O-N 3.07Å; W237-I239 VanDerWaalsContact O-N 3.07Å; I239-E241 PolarHBondContact O-N 2.96Å; I239-Y242 HydrophobicContact CD1-CD2 4.02Å; I239-Y242 HydrophobicContact CD1-CG 4.44Å; I239-Y242 WeakPolarHBondContact O-CB 3Å; I239-Y242 PolarHBondContact O-N 2.86Å; I239-Y242 VanDerWaalsContact O-N 3.1Å
240	A	78.7	Confident	83	Confident	55 Å²	55	121.3 Å²	121.3	46%	0.455	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-62.7	-30	-179.5	0	0	0	0	0	111.9	W237 S238 Y242 V243	W237-A240 WeakPolarHBondContact O-CB 3.24Å; W237-A240 PolarHBondContact O-N 2.92Å; S238-A240 PolarHBondContact O-N 3.16Å; A240-Y242 PolarHBondContact O-N 2.75Å; A240-V243 PolarHBondContact O-N 3.15Å; A240-V243 VanDerWaalsContact O-N 3.16Å
241	E	81.8	Confident	82.3	Confident	171 Å²	171	122.9 Å²	122.9	80%	0.799	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-66.1	-21.6	177.5	-60.9	-178	177.4	0	0	113	S238 I239	S238-E241 PolarHBondContact O-N 2.79Å; I239-E241 PolarHBondContact O-N 2.96Å
242	Y	83.2	Confident	81.4	Confident	181 Å²	181	126.9 Å²	126.9	71%	0.71	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-83.8	-15.2	177.9	-63.7	-91.7	0	0	0	112.9	I239 A240 K244	I239-Y242 HydrophobicContact CD1-CD2 4.02Å; I239-Y242 HydrophobicContact CD1-CG 4.44Å; I239-Y242 WeakPolarHBondContact O-CB 3Å; I239-Y242 PolarHBondContact O-N 2.86Å; I239-Y242 VanDerWaalsContact O-N 3.1Å; A240-Y242 PolarHBondContact O-N 2.75Å; Y242-K244 PolarHBondContact O-N 3.11Å
243	V	78.9	Confident	80.4	Confident	84 Å²	84	123.8 Å²	123.8	51%	0.509	62%	0.622	S	S	.	*			trans	-86.2	100.1	-179.6	-172.9	0	0	0	0	108.9	A240 Y246	A240-V243 PolarHBondContact O-N 3.15Å; A240-V243 VanDerWaalsContact O-N 3.16Å; V243-Y246 HydrophobicContact CG1-CD2 3.75Å; V243-Y246 HydrophobicContact CG1-CE2 3.85Å
244	K	79.5	Confident	79.3	Confident	202 Å²	202	131.7 Å²	131.7	88%	0.878	66%	0.661	S	S	*	*			trans	-86.2	139.9	172.1	-67.4	-174.9	177.9	-177.7	0	110.8	Y242	Y242-K244 PolarHBondContact O-N 3.11Å
245	G	78.3	Confident	78.5	Confident	68 Å²	68	127.1 Å²	127.1	70%	0.701	65%	0.648	S	S	*	*			trans	112.6	12.7	172.5	0	0	0	0	0	116.6
246	Y	64.4	Low	78.1	Confident	211 Å²	211	134.2 Å²	134.2	83%	0.827	68%	0.678	S	S	*	*			trans	-110.3	40.1	168.4	-74.2	-81.6	0	0	0	111.4	V243	V243-Y246 HydrophobicContact CG1-CD2 3.75Å; V243-Y246 HydrophobicContact CG1-CE2 3.85Å
247	D	61.4	Low	77.5	Confident	232 Å²	232	137.4 Å²	137.4	100%	1.241	69%	0.692	S	S	*	*			trans	-76	0	163.3	-63.1	-35.4	0	0	0	110.6

Retrieved 247 of 247 residues in 60.3 ms (Link to these results)

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