A0A4W5PPC2_9TELE Loading...

Peptidyl-prolyl cis-trans isomerase

PPIase that catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides and may therefore assist protein folding. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A4W5PPC2, Species 9TELE (Hucho hucho, huchen), Gene n/a, Length 216 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	54.7	Low	58.5	Low	220 Å²	220	149.5 Å²	149.5	100%	1.084	68%	0.682	S	S	*	*				0	-35.8	0	-143.6	148.2	113.9	0	0	113.7
2	V	54.1	Low	59.1	Low	115 Å²	115	146.8 Å²	146.8	70%	0.697	68%	0.677	S	S	*	*	H	α-helix	trans	-67.1	-40.5	-175.9	-177.1	0	0	0	0	114.9	I4 C5 E6	V2-I4 VanDerWaalsContact C-N 3.3Å; V2-I4 PolarHBondContact O-N 3.22Å; V2-C5 WeakPolarHBondContact O-CB 3.46Å; V2-C5 PolarHBondContact O-N 2.97Å; V2-C5 VanDerWaalsContact O-N 3.15Å; V2-E6 PolarHBondContact O-N 3.35Å
3	R	55.1	Low	59.6	Low	219 Å²	219	141.8 Å²	141.8	83%	0.826	66%	0.663	S	S	*	*	H	α-helix	trans	-64.6	-25.3	-177.5	-77	-176.8	177.5	177.8	-0.6	115.3	R7	R3-R7 PolarHBondContact O-N 3.4Å
4	I	56.4	Low	60.2	Low	112 Å²	112	135 Å²	135	57%	0.574	64%	0.643	S	S	*	*	H	α-helix	trans	-75.9	-32.6	178.2	-65.1	171.8	0	0	0	110.3	V2 R8	V2-I4 VanDerWaalsContact C-N 3.3Å; V2-I4 PolarHBondContact O-N 3.22Å; I4-R8 WeakPolarHBondContact O-CG 3.42Å; I4-R8 PolarHBondContact O-N 3.25Å
5	C	54.5	Low	60.8	Low	81 Å²	81	130.3 Å²	130.3	55%	0.547	63%	0.626	S	S	.	*	H	α-helix	trans	-70	-43.1	179.5	-152.3	0	0	0	0	111.6	V2 R7 R8 M9	V2-C5 WeakPolarHBondContact O-CB 3.46Å; V2-C5 PolarHBondContact O-N 2.97Å; V2-C5 VanDerWaalsContact O-N 3.15Å; C5-R7 PolarHBondContact O-N 3.02Å; C5-R8 PolarHBondContact O-N 3.07Å; C5-M9 WeakPolarHBondContact O-CB 3.38Å; C5-M9 PolarHBondContact O-N 3.21Å
6	E	58	Low	61.1	Low	101 Å²	101	127.6 Å²	127.6	47%	0.472	62%	0.621	S	S	.	*	H	α-helix	trans	-61.4	-40.4	175.2	-82.3	-170.3	110	0	0	113.2	V2 M9 K10	V2-E6 PolarHBondContact O-N 3.35Å; E6-M9 PolarHBondContact O-N 3.07Å; E6-K10 WeakPolarHBondContact O-CB 3.5Å; E6-K10 VanDerWaalsContact O-CG 3.3Å; E6-K10 WeakPolarHBondContact O-CG 3.28Å; E6-K10 PolarHBondContact O-N 3.29Å
7	R	60.8	Low	61.5	Low	206 Å²	206	125.4 Å²	125.4	78%	0.777	62%	0.616	S	S	*	*	H	α-helix	trans	-66.9	-39.3	179.9	-116	178.9	174.2	-174.3	-2.2	111.8	R3 C5 F11	R3-R7 PolarHBondContact O-N 3.4Å; C5-R7 PolarHBondContact O-N 3.02Å; R7-F11 PolarHBondContact O-N 2.97Å; R7-F11 VanDerWaalsContact O-N 3.16Å
8	R	60.4	Low	62	Low	191 Å²	191	124.4 Å²	124.4	72%	0.721	61%	0.612	S	S	*	*	H	α-helix	trans	-68.1	-38.7	175	-73.8	-176.4	172.4	-169.3	-2.3	111.9	I4 C5 F11 L12	I4-R8 WeakPolarHBondContact O-CG 3.42Å; I4-R8 PolarHBondContact O-N 3.25Å; C5-R8 PolarHBondContact O-N 3.07Å; R8-F11 PolarHBondContact O-N 3.28Å; R8-L12 WeakPolarHBondContact O-CB 3.23Å; R8-L12 PolarHBondContact O-N 3.08Å
9	M	62.9	Low	62.2	Low	112 Å²	112	122 Å²	122	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-64.2	-45.7	176.2	-162.1	73.2	73.5	0	0	111.8	C5 E6 F11 L12 V13	C5-M9 WeakPolarHBondContact O-CB 3.38Å; C5-M9 PolarHBondContact O-N 3.21Å; E6-M9 PolarHBondContact O-N 3.07Å; M9-F11 VanDerWaalsContact C-N 3.31Å; M9-F11 PolarHBondContact O-N 3.42Å; M9-L12 PolarHBondContact O-N 2.97Å; M9-V13 VanDerWaalsContact O-CG2 3.29Å; M9-V13 WeakPolarHBondContact O-CG2 3.3Å; M9-V13 PolarHBondContact O-N 3.35Å
10	K	59.3	Low	62.2	Low	139 Å²	139	117.9 Å²	117.9	60%	0.604	60%	0.596	S	S	*	*	H	α-helix	trans	-63	-37.3	177.8	-71.8	172.3	-174.7	175.3	0	112.2	E6 A14	E6-K10 WeakPolarHBondContact O-CB 3.5Å; E6-K10 VanDerWaalsContact O-CG 3.3Å; E6-K10 WeakPolarHBondContact O-CG 3.28Å; E6-K10 PolarHBondContact O-N 3.29Å; K10-A14 WeakPolarHBondContact O-CB 3.32Å; K10-A14 PolarHBondContact O-N 3.49Å; K10-A14 VanDerWaalsContact O-N 3.08Å
11	F	67.7	Low	62.2	Low	148 Å²	148	115 Å²	115	65%	0.649	59%	0.587	S	S	*	*	H	α-helix	trans	-69.4	-42.2	175.8	-162.3	-95.1	0	0	0	112	R7 R8 M9 V13 A14 V15	R7-F11 PolarHBondContact O-N 2.97Å; R7-F11 VanDerWaalsContact O-N 3.16Å; R8-F11 PolarHBondContact O-N 3.28Å; M9-F11 VanDerWaalsContact C-N 3.31Å; M9-F11 PolarHBondContact O-N 3.42Å; F11-V13 PolarHBondContact O-N 3.41Å; F11-A14 PolarHBondContact O-N 3.16Å; F11-V15 HydrophobicContact CD1-CG2 4.08Å; F11-V15 HydrophobicContact CE1-CG2 3.91Å; F11-V15 WeakPolarHBondContact O-CG2 3.43Å; F11-V15 PolarHBondContact O-N 3.5Å
12	L	65.3	Low	62.7	Low	118 Å²	118	108 Å²	108	62%	0.618	56%	0.556	S	S	*	*	H	α-helix	trans	-63.8	-41.8	178.3	-156.1	82.1	0	0	0	111.8	R8 M9 V15 T16	R8-L12 WeakPolarHBondContact O-CB 3.23Å; R8-L12 PolarHBondContact O-N 3.08Å; M9-L12 PolarHBondContact O-N 2.97Å; L12-V15 PolarHBondContact O-N 3.41Å; L12-T16 WeakPolarHBondContact O-CG2 3.3Å; L12-T16 PolarHBondContact O-N 3.39Å; L12-T16 PolarHBondContact O-OG1 2.96Å
13	V	65.8	Low	63.2	Low	81 Å²	81	106.9 Å²	106.9	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-65.6	-39.4	175.5	173.3	0	0	0	0	111.5	M9 F11 T16 V17	M9-V13 VanDerWaalsContact O-CG2 3.29Å; M9-V13 WeakPolarHBondContact O-CG2 3.3Å; M9-V13 PolarHBondContact O-N 3.35Å; F11-V13 PolarHBondContact O-N 3.41Å; V13-T16 WeakPolarHBondContact CA-OG1 3.45Å; V13-T16 PolarHBondContact O-OG1 2.64Å; V13-V17 VanDerWaalsContact O-CG2 3.25Å; V13-V17 WeakPolarHBondContact O-CG2 3.46Å; V13-V17 PolarHBondContact O-N 3.02Å; V13-V17 VanDerWaalsContact O-N 3.12Å
14	A	67.3	Low	63.4	Low	47 Å²	47	103.4 Å²	103.4	39%	0.388	54%	0.536	S	S	.	.	H	α-helix	trans	-64.2	-41.7	176.4	0	0	0	0	0	111.9	K10 F11 I18	K10-A14 WeakPolarHBondContact O-CB 3.32Å; K10-A14 PolarHBondContact O-N 3.49Å; K10-A14 VanDerWaalsContact O-N 3.08Å; F11-A14 PolarHBondContact O-N 3.16Å; A14-I18 WeakPolarHBondContact O-CD1 3.32Å; A14-I18 VanDerWaalsContact O-CG1 3.23Å; A14-I18 WeakPolarHBondContact O-CG1 3.32Å; A14-I18 PolarHBondContact O-N 3.42Å; A14-I18 VanDerWaalsContact O-N 3.07Å
15	V	69.4	Low	63.7	Low	65 Å²	65	104.6 Å²	104.6	39%	0.394	54%	0.543	S	S	.	.	H	α-helix	trans	-66.7	-41.9	178.9	173.1	0	0	0	0	111.6	F11 L12 I18 V19	F11-V15 HydrophobicContact CD1-CG2 4.08Å; F11-V15 HydrophobicContact CE1-CG2 3.91Å; F11-V15 WeakPolarHBondContact O-CG2 3.43Å; F11-V15 PolarHBondContact O-N 3.5Å; L12-V15 PolarHBondContact O-N 3.41Å; V15-I18 PolarHBondContact O-N 3.15Å; V15-V19 HydrophobicContact CG1-CG2 4.33Å; V15-V19 VanDerWaalsContact O-CG2 3.3Å; V15-V19 WeakPolarHBondContact O-CG2 3.47Å; V15-V19 PolarHBondContact O-N 3.36Å
16	T	65.2	Low	64.1	Low	87 Å²	87	106.6 Å²	106.6	53%	0.534	55%	0.547	S	S	.	.	H	α-helix	trans	-67.6	-36.5	178.7	51.4	0	0	0	0	112.7	L12 V13 G20	L12-T16 WeakPolarHBondContact O-CG2 3.3Å; L12-T16 PolarHBondContact O-N 3.39Å; L12-T16 PolarHBondContact O-OG1 2.96Å; V13-T16 WeakPolarHBondContact CA-OG1 3.45Å; V13-T16 PolarHBondContact O-OG1 2.64Å; T16-G20 PolarHBondContact O-N 3.27Å
17	V	68.2	Low	64.2	Low	90 Å²	90	109 Å²	109	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-65	-43.4	174.2	172.1	0	0	0	0	111	V13 S21	V13-V17 VanDerWaalsContact O-CG2 3.25Å; V13-V17 WeakPolarHBondContact O-CG2 3.46Å; V13-V17 PolarHBondContact O-N 3.02Å; V13-V17 VanDerWaalsContact O-N 3.12Å; V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 3.45Å; V17-S21 PolarHBondContact O-OG 3.04Å
18	I	70.7	Confident	63.8	Low	107 Å²	107	104.3 Å²	104.3	55%	0.549	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-47.4	179.6	-67.8	163	0	0	0	110.7	A14 V15 G20 S21 V22	A14-I18 WeakPolarHBondContact O-CD1 3.32Å; A14-I18 VanDerWaalsContact O-CG1 3.23Å; A14-I18 WeakPolarHBondContact O-CG1 3.32Å; A14-I18 PolarHBondContact O-N 3.42Å; A14-I18 VanDerWaalsContact O-N 3.07Å; V15-I18 PolarHBondContact O-N 3.15Å; I18-G20 PolarHBondContact O-N 2.94Å; I18-S21 PolarHBondContact O-N 3.05Å; I18-V22 HydrophobicContact CG2-CG2 4.42Å; I18-V22 VanDerWaalsContact O-CG2 3.3Å; I18-V22 WeakPolarHBondContact O-CG2 3.29Å; I18-V22 PolarHBondContact O-N 3.44Å
19	V	66.5	Low	63.6	Low	79 Å²	79	99.5 Å²	99.5	48%	0.479	55%	0.549	S	S	.	.	H	α-helix	trans	-64	-42.5	179.6	174.2	0	0	0	0	111.2	V15 S21 V22 I23	V15-V19 HydrophobicContact CG1-CG2 4.33Å; V15-V19 VanDerWaalsContact O-CG2 3.3Å; V15-V19 WeakPolarHBondContact O-CG2 3.47Å; V15-V19 PolarHBondContact O-N 3.36Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.4Å; V19-V22 PolarHBondContact O-N 3Å; V19-I23 HydrophobicContact CG1-CD1 3.85Å; V19-I23 VanDerWaalsContact O-CG1 3.29Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 3.35Å
20	G	62.3	Low	63.1	Low	40 Å²	40	97.7 Å²	97.7	41%	0.412	56%	0.558	S	S	.	*	H	α-helix	trans	-61.6	-39.4	175	0	0	0	0	0	112.8	T16 I18 I23 F24	T16-G20 PolarHBondContact O-N 3.27Å; I18-G20 PolarHBondContact O-N 2.94Å; G20-I23 PolarHBondContact O-N 2.95Å; G20-F24 PolarHBondContact O-N 3.43Å
21	S	61.9	Low	62.5	Low	58 Å²	58	94.5 Å²	94.5	41%	0.406	55%	0.554	S	S	.	*	H	α-helix	trans	-67.5	-39.9	177.9	-55.4	0	0	0	0	112.2	V17 I18 V19 F24 L25	V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 3.45Å; V17-S21 PolarHBondContact O-OG 3.04Å; I18-S21 PolarHBondContact O-N 3.05Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.4Å; S21-F24 PolarHBondContact O-N 3.23Å; S21-L25 VanDerWaalsContact O-CG 3.32Å; S21-L25 WeakPolarHBondContact O-CG 3.25Å; S21-L25 PolarHBondContact O-N 2.95Å
22	V	65.3	Low	61.6	Low	71 Å²	71	93.8 Å²	93.8	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-68.9	-38.1	177.3	173.8	0	0	0	0	111.1	I18 V19 L25 L26	I18-V22 HydrophobicContact CG2-CG2 4.42Å; I18-V22 VanDerWaalsContact O-CG2 3.3Å; I18-V22 WeakPolarHBondContact O-CG2 3.29Å; I18-V22 PolarHBondContact O-N 3.44Å; V19-V22 PolarHBondContact O-N 3Å; V22-L25 PolarHBondContact O-N 3.48Å; V22-L26 HydrophobicContact CG1-CD1 3.71Å; V22-L26 HydrophobicContact CG1-CG 4.28Å; V22-L26 WeakPolarHBondContact O-CB 3.5Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.29Å; V22-L26 PolarHBondContact O-N 3.12Å
23	I	63.3	Low	60.5	Low	92 Å²	92	91.4 Å²	91.4	47%	0.472	55%	0.554	S	S	.	*	H	α-helix	trans	-64.1	-40.9	174.4	-69	167.8	0	0	0	111	V19 G20 L25 L26 F27	V19-I23 HydrophobicContact CG1-CD1 3.85Å; V19-I23 VanDerWaalsContact O-CG1 3.29Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 3.35Å; G20-I23 PolarHBondContact O-N 2.95Å; I23-L25 VanDerWaalsContact C-N 3.31Å; I23-L25 PolarHBondContact O-N 2.95Å; I23-L26 PolarHBondContact O-N 3.02Å; I23-F27 HydrophobicContact CG2-CD2 4.17Å; I23-F27 WeakPolarHBondContact O-CD2 3.48Å; I23-F27 PolarHBondContact O-N 2.97Å
24	F	61.2	Low	59.6	Low	146 Å²	146	91.2 Å²	91.2	64%	0.64	55%	0.55	S	S	*	*	H	α-helix	trans	-65.6	-32.7	175.7	-171.3	-101	0	0	0	113	G20 S21	G20-F24 PolarHBondContact O-N 3.43Å; S21-F24 PolarHBondContact O-N 3.23Å
25	L	60.8	Low	58.7	Low	138 Å²	138	95.5 Å²	95.5	72%	0.723	56%	0.562	S	S	*	*	H	α-helix	trans	-77.9	-29.7	176.1	-72.1	167.8	0	0	0	113.3	S21 V22 I23	S21-L25 VanDerWaalsContact O-CG 3.32Å; S21-L25 WeakPolarHBondContact O-CG 3.25Å; S21-L25 PolarHBondContact O-N 2.95Å; V22-L25 PolarHBondContact O-N 3.48Å; I23-L25 VanDerWaalsContact C-N 3.31Å; I23-L25 PolarHBondContact O-N 2.95Å
26	L	63.2	Low	57.6	Low	122 Å²	122	101.1 Å²	101.1	64%	0.639	58%	0.581	S	S	*	*	H	α-helix	trans	-84.4	-22.5	178.9	-70.9	171.7	0	0	0	113.3	V22 I23 P28	V22-L26 HydrophobicContact CG1-CD1 3.71Å; V22-L26 HydrophobicContact CG1-CG 4.28Å; V22-L26 WeakPolarHBondContact O-CB 3.5Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.29Å; V22-L26 PolarHBondContact O-N 3.12Å; I23-L26 PolarHBondContact O-N 3.02Å; L26-P28 WeakPolarHBondContact O-CD 3.46Å
27	F	60.3	Low	57	Low	151 Å²	151	104.9 Å²	104.9	66%	0.662	59%	0.593	S	S	*	*	S	Bend	trans	-119.3	81.3	174.1	-66.4	-82.7	0	0	0	109.1	I23 S29	I23-F27 HydrophobicContact CG2-CD2 4.17Å; I23-F27 WeakPolarHBondContact O-CD2 3.48Å; I23-F27 PolarHBondContact O-N 2.97Å; F27-S29 PolarHBondContact O-N 2.93Å
28	P	53.5	Low	57.3	Low	109 Å²	109	105.6 Å²	105.6	71%	0.708	59%	0.589	S	S	*	*			trans	-57.3	112.8	171	24.5	-30.6	0	0	0	106.7	L26 G30	L26-P28 WeakPolarHBondContact O-CD 3.46Å; P28-G30 PolarHBondContact O-N 2.89Å
29	S	55.3	Low	58.3	Low	90 Å²	90	101 Å²	101	63%	0.629	57%	0.567	S	S	*	*			trans	-53.2	112	167.7	-58.3	0	0	0	0	105.7	F27 S31	F27-S29 PolarHBondContact O-N 2.93Å; S29-S31 PolarHBondContact O-N 2.86Å
30	G	52.6	Low	59.7	Low	73 Å²	73	97.5 Å²	97.5	75%	0.753	55%	0.547	S	S	*	.			trans	-50.8	109.7	175.3	0	0	0	0	0	107	P28 D32	P28-G30 PolarHBondContact O-N 2.89Å; G30-D32 PolarHBondContact O-N 2.85Å
31	S	45.7	Very low	61.4	Low	73 Å²	73	100.5 Å²	100.5	51%	0.51	55%	0.548	S	S	.	.			trans	-65.5	121.6	-167.5	50.3	0	0	0	0	109.1	S29 A33 D34	S29-S31 PolarHBondContact O-N 2.86Å; S31-A33 PolarHBondContact O-N 3.36Å; S31-D34 WeakPolarHBondContact O-CB 3.27Å; S31-D34 PolarHBondContact O-N 3.44Å
32	D	49.1	Very low	63.1	Low	132 Å²	132	97.8 Å²	97.8	71%	0.706	53%	0.529	S	S	*	.	H	α-helix	trans	-51	-20.2	169.8	-71.3	-47.7	0	0	0	112.9	G30 D34 E35 K36	G30-D32 PolarHBondContact O-N 2.85Å; D32-D34 VanDerWaalsContact C-N 3.29Å; D32-D34 PolarHBondContact O-N 3.46Å; D32-E35 PolarHBondContact O-N 3.2Å; D32-K36 PolarHBondContact O-N 3.47Å
33	A	42.8	Very low	64.7	Low	68 Å²	68	96 Å²	96	56%	0.562	52%	0.518	S	S	*	.	H	α-helix	trans	-62.1	-31.2	172.6	0	0	0	0	0	113.6	S31 K36	S31-A33 PolarHBondContact O-N 3.36Å; A33-K36 PolarHBondContact O-N 2.86Å
34	D	46.6	Very low	66.4	Low	78 Å²	78	91.9 Å²	91.9	42%	0.417	50%	0.499	S	S	.	.	H	α-helix	trans	-81	-21.6	179.7	-162.5	52.9	0	0	0	112.2	S31 D32 K38	S31-D34 WeakPolarHBondContact O-CB 3.27Å; S31-D34 PolarHBondContact O-N 3.44Å; D32-D34 VanDerWaalsContact C-N 3.29Å; D32-D34 PolarHBondContact O-N 3.46Å; D34-K38 VanDerWaalsContact O-CE 3.27Å; D34-K38 WeakPolarHBondContact O-CE 3.45Å; D34-K38 IonicContact OD2-NZ 3.45Å; D34-K38 PolarHBondContact OD2-NZ 2.93Å
35	E	48.6	Very low	68.1	Low	136 Å²	136	87 Å²	87	64%	0.636	48%	0.477	S	S	*	.	H	α-helix	trans	-74.9	-35.1	167.5	-82.5	-141.4	142.1	0	0	112.5	D32 Q37 K38	D32-E35 PolarHBondContact O-N 3.2Å; E35-Q37 PolarHBondContact O-N 3.34Å; E35-K38 PolarHBondContact O-N 3.35Å; E35-K38 VanDerWaalsContact O-N 3.11Å
36	K	46.7	Very low	70	Confident	184 Å²	184	80.4 Å²	80.4	80%	0.8	44%	0.442	S	S	*	.	H	α-helix	trans	-66.4	-19	179	-80.8	-179.2	178.3	175	0	114.1	D32 A33	D32-K36 PolarHBondContact O-N 3.47Å; A33-K36 PolarHBondContact O-N 2.86Å
37	Q	53.3	Low	71.7	Confident	165 Å²	165	76.5 Å²	76.5	77%	0.771	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.3	173.7	-88.4	-168.5	-6.7	0	0	114.5	E35 G39	E35-Q37 PolarHBondContact O-N 3.34Å; Q37-G39 PolarHBondContact O-N 3.3Å
38	K	73.8	Confident	73.5	Confident	105 Å²	105	69.3 Å²	69.3	46%	0.457	39%	0.388	S	S	.	.			trans	-84.8	118	-177.1	-70.3	168.3	-170	157.5	0	109.1	D34 E35 A212	D34-K38 VanDerWaalsContact O-CE 3.27Å; D34-K38 WeakPolarHBondContact O-CE 3.45Å; D34-K38 IonicContact OD2-NZ 3.45Å; D34-K38 PolarHBondContact OD2-NZ 2.93Å; E35-K38 PolarHBondContact O-N 3.35Å; E35-K38 VanDerWaalsContact O-N 3.11Å; K38-A212 HydrophobicContact CB-CB 4.03Å; K38-A212 HydrophobicContact CG-CB 4.46Å
39	G	91.2	Very high	75.7	Confident	10 Å²	10	65.5 Å²	65.5	10%	0.103	36%	0.362	C	S	.	.			trans	-71	-168.8	174	0	0	0	0	0	112.6	Q37 I213	Q37-G39 PolarHBondContact O-N 3.3Å; G39-I213 CarbonylContact C-O 3.47Å; G39-I213 WeakPolarHBondContact CA-O 3.32Å; G39-I213 PolarHBondContact N-O 2.95Å
40	P	96.6	Very high	77.7	Confident	7 Å²	7	61.2 Å²	61.2	5%	0.045	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-61.3	147	-175.1	28	-34.8	0	0	0	111.4	F65 L130 W137 A212 I213	P40-F65 HydrophobicContact CB-CB 4.15Å; P40-F65 HydrophobicContact CB-CD1 3.57Å; P40-F65 HydrophobicContact CB-CD2 4.07Å; P40-F65 HydrophobicContact CB-CE1 3.91Å; P40-F65 HydrophobicContact CB-CE2 4.37Å; P40-F65 HydrophobicContact CB-CG 3.65Å; P40-F65 HydrophobicContact CB-CZ 4.29Å; P40-F65 HydrophobicContact CG-CD1 3.79Å; P40-F65 HydrophobicContact CG-CD2 4.09Å; P40-F65 HydrophobicContact CG-CE1 3.56Å; P40-F65 HydrophobicContact CG-CE2 3.88Å; P40-F65 HydrophobicContact CG-CG 4.05Å; P40-F65 HydrophobicContact CG-CZ 3.61Å; P40-L130 HydrophobicContact CB-CD1 4Å; P40-L130 HydrophobicContact CB-CD2 3.97Å; P40-L130 HydrophobicContact CG-CD1 4.19Å; P40-L130 HydrophobicContact CG-CD2 3.96Å; P40-W137 HydrophobicContact CG-CH2 4.13Å; P40-W137 HydrophobicContact CG-CZ3 4.2Å; P40-A212 WeakPolarHBondContact O-CA 3.45Å; P40-I213 HydrophobicContact CG-CG1 4.17Å; P40-I213 PolarHBondContact O-N 2.84Å; P40-I213 VanDerWaalsContact O-N 3.12Å
41	K	97.4	Very high	79.9	Confident	103 Å²	103	61.1 Å²	61.1	45%	0.448	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.1	176.5	-66.9	-176.4	-177.7	176.8	0	110.1	T43 P210 F211 A212	K41-T43 PolarHBondContact O-N 3.12Å; K41-P210 HydrophobicContact CB-CB 4.48Å; K41-F211 CarbonylContact C-O 3.49Å; K41-F211 VanDerWaalsContact CA-O 3.26Å; K41-F211 WeakPolarHBondContact CA-O 3.01Å; K41-A212 HydrophobicContact CG-CB 4.25Å
42	V	98.3	Very high	82.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	119.6	166.7	176.6	0	0	0	0	107.9	K45 L64 F65 L173 V207 P210 F211 I213	V42-K45 HydrophobicContact CG1-CG 4.38Å; V42-L64 WeakPolarHBondContact CA-O 3.39Å; V42-F65 HydrophobicContact CG2-CD1 4.41Å; V42-F65 HydrophobicContact CG2-CE1 4.07Å; V42-L173 HydrophobicContact CG1-CD1 4.32Å; V42-L173 HydrophobicContact CG2-CD1 4.49Å; V42-V207 HydrophobicContact CG1-CG2 4.48Å; V42-P210 WeakPolarHBondContact O-CA 3.29Å; V42-P210 WeakPolarHBondContact O-CB 3.27Å; V42-F211 HydrophobicContact CB-CD1 4.39Å; V42-F211 HydrophobicContact CB-CD2 4.36Å; V42-F211 HydrophobicContact CB-CE1 3.94Å; V42-F211 HydrophobicContact CB-CE2 3.91Å; V42-F211 HydrophobicContact CB-CZ 3.68Å; V42-F211 HydrophobicContact CG1-CE1 3.93Å; V42-F211 HydrophobicContact CG1-CE2 4.45Å; V42-F211 HydrophobicContact CG1-CZ 3.76Å; V42-F211 HydrophobicContact CG2-CD2 4.5Å; V42-F211 HydrophobicContact CG2-CE2 3.87Å; V42-F211 HydrophobicContact CG2-CZ 4Å; V42-F211 PolarHBondContact N-O 3.19Å; V42-F211 PolarHBondContact O-N 3.48Å; V42-I213 HydrophobicContact CG2-CD1 4.49Å; V42-I213 HydrophobicContact CG2-CG2 3.92Å
43	T	98.2	Very high	84.8	Confident	33 Å²	33	53.5 Å²	53.5	20%	0.202	27%	0.268	C	S	.	.			trans	-113.2	-17	-178.8	56.2	0	0	0	0	113.7	K41 L64 G66 K67 P210	K41-T43 PolarHBondContact O-N 3.12Å; T43-L64 PolarHBondContact N-O 3.26Å; T43-L64 PolarHBondContact OG1-O 2.93Å; T43-G66 WeakPolarHBondContact OG1-CA 3.46Å; T43-G66 PolarHBondContact OG1-N 2.85Å; T43-K67 HydrophobicContact CG2-CB 4.44Å; T43-K67 HydrophobicContact CG2-CD 4.42Å; T43-K67 HydrophobicContact CG2-CG 3.75Å; T43-P210 HydrophobicContact CG2-CB 4.22Å; T43-P210 HydrophobicContact CG2-CG 4.34Å
44	A	98.2	Very high	87.3	Confident	7 Å²	7	57.9 Å²	57.9	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	158.3	178.3	0	0	0	0	0	108.3	L64 I77	A44-L64 PolarHBondContact O-N 3.44Å; A44-I77 HydrophobicContact CB-CD1 3.6Å
45	K	98.8	Very high	89.8	Confident	42 Å²	42	60 Å²	60	18%	0.183	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.1	172.6	-74.5	175.5	-178.7	-166.3	0	110.3	V42 V61 I62 L173 E174 I205 V207	V42-K45 HydrophobicContact CG1-CG 4.38Å; K45-V61 HydrophobicContact CB-CG1 4.27Å; K45-V61 HydrophobicContact CD-CG1 3.92Å; K45-V61 HydrophobicContact CG-CG1 4.26Å; K45-I62 CarbonylContact C-O 3.5Å; K45-I62 WeakPolarHBondContact CA-O 3.2Å; K45-L173 HydrophobicContact CD-CD1 4.36Å; K45-L173 HydrophobicContact CG-CD1 4.25Å; K45-E174 IonicContact NZ-OE1 2.72Å; K45-I205 HydrophobicContact CB-CB 3.77Å; K45-I205 HydrophobicContact CB-CG2 4.21Å; K45-I205 HydrophobicContact CD-CG2 4.29Å; K45-I205 PolarHBondContact N-O 3.11Å; K45-I205 VanDerWaalsContact N-O 3.11Å; K45-I205 PolarHBondContact O-N 3.24Å; K45-V207 HydrophobicContact CB-CG2 4.23Å; K45-V207 HydrophobicContact CD-CG2 4.08Å; K45-V207 HydrophobicContact CG-CG2 3.7Å
46	V	98.9	Very high	92.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.5	166.8	161.5	0	0	0	0	108.1	F48 I62 L64 F76 I77 A80 G203	V46-F48 HydrophobicContact CG1-CD1 4.07Å; V46-F48 HydrophobicContact CG1-CE1 3.64Å; V46-F48 HydrophobicContact CG1-CZ 4.11Å; V46-I62 PolarHBondContact N-O 3.3Å; V46-I62 PolarHBondContact O-N 3.15Å; V46-L64 HydrophobicContact CB-CD1 4.31Å; V46-L64 HydrophobicContact CG2-CD1 3.7Å; V46-F76 HydrophobicContact CB-CD1 4.43Å; V46-F76 HydrophobicContact CB-CE1 3.99Å; V46-F76 HydrophobicContact CG1-CE1 3.82Å; V46-F76 HydrophobicContact CG2-CD1 4.14Å; V46-F76 HydrophobicContact CG2-CE1 4.19Å; V46-I77 HydrophobicContact CG2-CG1 4.06Å; V46-A80 HydrophobicContact CB-CB 4.45Å; V46-A80 HydrophobicContact CG1-CB 3.63Å; V46-A80 HydrophobicContact CG2-CB 3.89Å; V46-G203 CarbonylContact C-O 3.53Å; V46-G203 VanDerWaalsContact CA-O 3.27Å; V46-G203 WeakPolarHBondContact CA-O 3Å
47	Y	98.9	Very high	94.6	Very high	40 Å²	40	50 Å²	50	16%	0.157	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	149.1	170.1	72.9	-84.3	0	0	0	111.5	I60 C202 G203 I205	Y47-I60 CarbonylContact C-O 3.53Å; Y47-I60 WeakPolarHBondContact CA-O 3.36Å; Y47-C202 VanDerWaalsContact O-CA 3.24Å; Y47-C202 WeakPolarHBondContact O-CA 3.3Å; Y47-C202 WeakPolarHBondContact O-CB 3.43Å; Y47-G203 VanDerWaalsContact CD1-O 3.25Å; Y47-G203 WeakPolarHBondContact CD1-O 3.26Å; Y47-G203 VanDerWaalsContact CE1-CA 3.43Å; Y47-G203 VanDerWaalsContact CE1-N 3.35Å; Y47-G203 PolarHBondContact N-O 2.8Å; Y47-G203 PolarHBondContact O-N 2.72Å; Y47-I205 HydrophobicContact CD1-CD1 3.93Å; Y47-I205 HydrophobicContact CD1-CG1 3.87Å; Y47-I205 HydrophobicContact CG-CD1 4.28Å
48	F	98.9	Very high	96.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.7	167.1	-63.6	-30.1	0	0	0	109.6	V46 I50 R59 I60 I62 F76 A80 Y88 F152 I199 C202	V46-F48 HydrophobicContact CG1-CD1 4.07Å; V46-F48 HydrophobicContact CG1-CE1 3.64Å; V46-F48 HydrophobicContact CG1-CZ 4.11Å; F48-I50 HydrophobicContact CB-CD1 3.73Å; F48-I50 HydrophobicContact CB-CG1 4.47Å; F48-R59 CarbonylContact O-C 3.52Å; F48-R59 WeakPolarHBondContact O-CA 2.9Å; F48-I60 HydrophobicContact CB-CB 4.44Å; F48-I60 PolarHBondContact N-O 3.12Å; F48-I60 PolarHBondContact O-N 2.92Å; F48-I62 HydrophobicContact CD2-CD1 3.75Å; F48-I62 HydrophobicContact CE2-CD1 3.51Å; F48-I62 HydrophobicContact CZ-CD1 4.17Å; F48-F76 HydrophobicContact CE1-CZ 4.47Å; F48-F76 AromaticContact CE2-CZ 3.83Å; F48-F76 HydrophobicContact CE2-CZ 3.83Å; F48-F76 HydrophobicContact CZ-CE1 4.03Å; F48-F76 HydrophobicContact CZ-CE2 4.19Å; F48-F76 AromaticContact CZ-CZ 3.42Å; F48-F76 HydrophobicContact CZ-CZ 3.42Å; F48-F76 VanDerWaalsContact CZ-CZ 3.42Å; F48-A80 HydrophobicContact CE1-CB 4.43Å; F48-Y88 HydrophobicContact CE1-CD2 4.09Å; F48-Y88 AromaticContact CZ-CD2 3.99Å; F48-Y88 HydrophobicContact CZ-CD2 3.99Å; F48-F152 HydrophobicContact CD2-CZ 4.46Å; F48-F152 HydrophobicContact CE2-CE1 4.26Å; F48-F152 AromaticContact CE2-CE2 3.96Å; F48-F152 HydrophobicContact CE2-CE2 3.96Å; F48-F152 AromaticContact CE2-CZ 3.48Å; F48-F152 HydrophobicContact CE2-CZ 3.48Å; F48-F152 VanDerWaalsContact CE2-CZ 3.48Å; F48-F152 HydrophobicContact CZ-CE1 4.27Å; F48-F152 AromaticContact CZ-CZ 3.94Å; F48-F152 HydrophobicContact CZ-CZ 3.94Å; F48-I199 HydrophobicContact CB-CG2 4.09Å; F48-I199 HydrophobicContact CD1-CD1 4.29Å; F48-I199 HydrophobicContact CD1-CG2 3.71Å; F48-I199 HydrophobicContact CD2-CD1 4.15Å; F48-I199 HydrophobicContact CE1-CD1 4.25Å; F48-I199 HydrophobicContact CE1-CG2 4.36Å; F48-I199 HydrophobicContact CE2-CD1 4.1Å; F48-I199 HydrophobicContact CG-CD1 4.25Å; F48-I199 HydrophobicContact CG-CG1 4.4Å; F48-I199 HydrophobicContact CG-CG2 4.04Å; F48-I199 HydrophobicContact CZ-CD1 4.14Å; F48-C202 HydrophobicContact CD1-CB 3.46Å; F48-C202 VanDerWaalsContact CD1-CB 3.46Å; F48-C202 HydrophobicContact CE1-CB 3.81Å
49	D	98.8	Very high	97.9	Very high	29 Å²	29	44.2 Å²	44.2	16%	0.155	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.9	166.3	-67.8	-36.2	0	0	0	108.8	R59 I199 H200 D201	D49-R59 VanDerWaalsContact OD1-CB 3.3Å; D49-R59 WeakPolarHBondContact OD1-CB 3.37Å; D49-R59 WeakPolarHBondContact OD1-CG 3.46Å; D49-R59 IonicContact OD1-CZ 3.75Å; D49-R59 IonicContact OD1-NE 3.28Å; D49-R59 PolarHBondContact OD1-NE 2.74Å; D49-R59 IonicContact OD1-NH2 3.41Å; D49-R59 PolarHBondContact OD1-NH2 3.25Å; D49-R59 IonicContact OD2-CZ 2.86Å; D49-R59 IonicContact OD2-NE 2.72Å; D49-R59 IonicContact OD2-NH2 3.6Å; D49-R59 PolarHBondContact OD2-NH2 3.4Å; D49-I199 CarbonylContact O-C 3.38Å; D49-H200 PolarHBondContact O-N 2.89Å; D49-D201 HydrophobicContact CB-CB 4.16Å; D49-D201 PolarHBondContact N-O 3.28Å; D49-D201 PolarHBondContact O-N 2.84Å
50	I	98.9	Very high	98.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.3	-168.4	-55.1	-57.8	0	0	0	111.1	F48 V57 G58 I60 F93 V178 I182 V197 S198 I199	F48-I50 HydrophobicContact CB-CD1 3.73Å; F48-I50 HydrophobicContact CB-CG1 4.47Å; I50-V57 HydrophobicContact CB-CG2 3.75Å; I50-V57 HydrophobicContact CG2-CG2 3.55Å; I50-V57 VanDerWaalsContact O-CG2 3.29Å; I50-V57 WeakPolarHBondContact O-CG2 3.41Å; I50-V57 PolarHBondContact O-N 2.99Å; I50-G58 PolarHBondContact N-O 2.67Å; I50-I60 HydrophobicContact CD1-CD1 4.28Å; I50-I60 HydrophobicContact CG1-CD1 3.8Å; I50-I60 HydrophobicContact CG1-CG1 4.19Å; I50-F93 HydrophobicContact CD1-CE2 3.82Å; I50-V178 HydrophobicContact CB-CG1 3.95Å; I50-V178 HydrophobicContact CG1-CG1 3.93Å; I50-V178 HydrophobicContact CG2-CG1 4.42Å; I50-I182 HydrophobicContact CG1-CD1 4.29Å; I50-I182 HydrophobicContact CG2-CD1 3.94Å; I50-I182 HydrophobicContact CG2-CG1 4.16Å; I50-V197 HydrophobicContact CG2-CG1 3.82Å; I50-S198 WeakPolarHBondContact CA-O 3.38Å; I50-I199 HydrophobicContact CD1-CG1 4.05Å
51	R	98.8	Very high	98.4	Very high	70 Å²	70	43.7 Å²	43.7	26%	0.264	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.8	165.1	-75.2	-177.5	174.4	-178.2	-6.8	112.2	E55 D56 V197 S198 H200	R51-E55 CarbonylContact C-O 3.59Å; R51-E55 WeakPolarHBondContact CA-O 3.17Å; R51-D56 WeakPolarHBondContact CG-OD1 3.41Å; R51-D56 IonicContact CZ-OD1 3.9Å; R51-D56 IonicContact CZ-OD2 2.71Å; R51-D56 IonicContact NE-OD1 3.64Å; R51-D56 PolarHBondContact NE-OD1 3.24Å; R51-D56 IonicContact NE-OD2 2.82Å; R51-D56 PolarHBondContact NE-OD2 3.36Å; R51-D56 IonicContact NH2-OD1 3.44Å; R51-D56 PolarHBondContact NH2-OD1 2.91Å; R51-D56 IonicContact NH2-OD2 3.89Å; R51-D56 PolarHBondContact NH2-OD2 3.4Å; R51-V197 CarbonylContact O-C 3.54Å; R51-V197 VanDerWaalsContact O-CA 3.31Å; R51-V197 WeakPolarHBondContact O-CA 3.49Å; R51-S198 PolarHBondContact N-O 2.7Å; R51-S198 PolarHBondContact O-N 3.11Å; R51-H200 HydrophobicContact CG-CB 3.98Å; R51-H200 VanDerWaalsContact CZ-CD2 3.47Å; R51-H200 PolarHBondContact NH1-CD2 2.9Å; R51-H200 PolarHBondContact NH1-NE2 3.43Å
52	I	98.6	Very high	98.5	Very high	20 Å²	20	38.8 Å²	38.8	10%	0.103	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	106.7	167.5	-55.6	-176.5	0	0	0	108.3	D54 E55 V57 K181 K195 V197	I52-D54 PolarHBondContact O-N 2.91Å; I52-E55 PolarHBondContact N-O 2.68Å; I52-E55 PolarHBondContact O-N 3.04Å; I52-V57 HydrophobicContact CB-CG1 4.09Å; I52-V57 HydrophobicContact CD1-CG1 3.93Å; I52-V57 HydrophobicContact CD1-CG2 4.2Å; I52-V57 HydrophobicContact CG1-CB 4.46Å; I52-V57 HydrophobicContact CG1-CG1 3.77Å; I52-V57 HydrophobicContact CG1-CG2 3.9Å; I52-K181 HydrophobicContact CD1-CB 4.47Å; I52-K195 HydrophobicContact CG2-CB 4Å; I52-K195 HydrophobicContact CG2-CD 4.42Å; I52-V197 HydrophobicContact CG1-CG1 4.37Å; I52-V197 HydrophobicContact CG1-CG2 4.16Å; I52-V197 HydrophobicContact CG2-CG2 4.36Å
53	G	97.9	Very high	98.5	Very high	25 Å²	25	38.8 Å²	38.8	26%	0.258	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-124.5	-161.1	0	0	0	0	0	109.7	D196	G53-D196 PolarHBondContact N-O 3.13Å
54	D	96.3	Very high	98.5	Very high	160 Å²	160	37.2 Å²	37.2	86%	0.856	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	1.6	179.8	-56	-49.9	0	0	0	113.8	I52	I52-D54 PolarHBondContact O-N 2.91Å
55	E	98	Very high	98.5	Very high	124 Å²	124	36.9 Å²	36.9	58%	0.579	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.7	-176.2	-173.5	-174.8	161.7	0	0	111.6	R51 I52 V57	R51-E55 CarbonylContact C-O 3.59Å; R51-E55 WeakPolarHBondContact CA-O 3.17Å; I52-E55 PolarHBondContact N-O 2.68Å; I52-E55 PolarHBondContact O-N 3.04Å; E55-V57 HydrophobicContact CG-CG1 4.32Å; E55-V57 PolarHBondContact O-N 3.39Å
56	D	98.4	Very high	98.5	Very high	95 Å²	95	35.6 Å²	35.6	51%	0.508	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	114.3	169	-73.6	-55.7	0	0	0	110.4	R51	R51-D56 WeakPolarHBondContact CG-OD1 3.41Å; R51-D56 IonicContact CZ-OD1 3.9Å; R51-D56 IonicContact CZ-OD2 2.71Å; R51-D56 IonicContact NE-OD1 3.64Å; R51-D56 PolarHBondContact NE-OD1 3.24Å; R51-D56 IonicContact NE-OD2 2.82Å; R51-D56 PolarHBondContact NE-OD2 3.36Å; R51-D56 IonicContact NH2-OD1 3.44Å; R51-D56 PolarHBondContact NH2-OD1 2.91Å; R51-D56 IonicContact NH2-OD2 3.89Å; R51-D56 PolarHBondContact NH2-OD2 3.4Å
57	V	98	Very high	98.4	Very high	13 Å²	13	43.4 Å²	43.4	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-12.6	-173.1	-64.4	0	0	0	0	114.8	I50 I52 E55 V178 K181	I50-V57 HydrophobicContact CB-CG2 3.75Å; I50-V57 HydrophobicContact CG2-CG2 3.55Å; I50-V57 VanDerWaalsContact O-CG2 3.29Å; I50-V57 WeakPolarHBondContact O-CG2 3.41Å; I50-V57 PolarHBondContact O-N 2.99Å; I52-V57 HydrophobicContact CB-CG1 4.09Å; I52-V57 HydrophobicContact CD1-CG1 3.93Å; I52-V57 HydrophobicContact CD1-CG2 4.2Å; I52-V57 HydrophobicContact CG1-CB 4.46Å; I52-V57 HydrophobicContact CG1-CG1 3.77Å; I52-V57 HydrophobicContact CG1-CG2 3.9Å; E55-V57 HydrophobicContact CG-CG1 4.32Å; E55-V57 PolarHBondContact O-N 3.39Å; V57-V178 HydrophobicContact CG2-CG1 3.98Å; V57-K181 HydrophobicContact CB-CD 4.27Å; V57-K181 PolarHBondContact O-NZ 2.8Å
58	G	98.6	Very high	98.4	Very high	33 Å²	33	42.7 Å²	42.7	34%	0.34	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	135.2	-174.4	172.1	0	0	0	0	0	114.3	I50	I50-G58 PolarHBondContact N-O 2.67Å
59	R	98.8	Very high	98.4	Very high	117 Å²	117	42.7 Å²	42.7	44%	0.442	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.4	-178.9	-179.5	169.6	-74.3	-171.4	-4.8	111.6	F48 D49 V61 G175	F48-R59 CarbonylContact O-C 3.52Å; F48-R59 WeakPolarHBondContact O-CA 2.9Å; D49-R59 VanDerWaalsContact OD1-CB 3.3Å; D49-R59 WeakPolarHBondContact OD1-CB 3.37Å; D49-R59 WeakPolarHBondContact OD1-CG 3.46Å; D49-R59 IonicContact OD1-CZ 3.75Å; D49-R59 IonicContact OD1-NE 3.28Å; D49-R59 PolarHBondContact OD1-NE 2.74Å; D49-R59 IonicContact OD1-NH2 3.41Å; D49-R59 PolarHBondContact OD1-NH2 3.25Å; D49-R59 IonicContact OD2-CZ 2.86Å; D49-R59 IonicContact OD2-NE 2.72Å; D49-R59 IonicContact OD2-NH2 3.6Å; D49-R59 PolarHBondContact OD2-NH2 3.4Å; R59-V61 HydrophobicContact CG-CG2 4.19Å; R59-G175 WeakPolarHBondContact O-CA 3.2Å
60	I	98.9	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.5	167.5	-61.5	173.2	0	0	0	107.9	Y47 F48 I50 I62 I172 V178 V179 I182	Y47-I60 CarbonylContact C-O 3.53Å; Y47-I60 WeakPolarHBondContact CA-O 3.36Å; F48-I60 HydrophobicContact CB-CB 4.44Å; F48-I60 PolarHBondContact N-O 3.12Å; F48-I60 PolarHBondContact O-N 2.92Å; I50-I60 HydrophobicContact CD1-CD1 4.28Å; I50-I60 HydrophobicContact CG1-CD1 3.8Å; I50-I60 HydrophobicContact CG1-CG1 4.19Å; I60-I62 HydrophobicContact CG2-CG1 3.96Å; I60-I172 HydrophobicContact CG2-CD1 3.68Å; I60-I172 HydrophobicContact CG2-CG1 4.42Å; I60-I172 HydrophobicContact CG2-CG2 3.86Å; I60-V178 HydrophobicContact CD1-CB 4.41Å; I60-V178 HydrophobicContact CD1-CG1 4.07Å; I60-V178 HydrophobicContact CG1-CB 3.89Å; I60-V178 HydrophobicContact CG1-CG1 3.87Å; I60-V179 HydrophobicContact CD1-CG2 3.74Å; I60-V179 HydrophobicContact CG1-CG2 4.21Å; I60-I182 HydrophobicContact CD1-CD1 3.99Å
61	V	98.9	Very high	98.4	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.036	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.8	171.2	-176.4	0	0	0	0	109.5	K45 R59 L173 E174 I205	K45-V61 HydrophobicContact CB-CG1 4.27Å; K45-V61 HydrophobicContact CD-CG1 3.92Å; K45-V61 HydrophobicContact CG-CG1 4.26Å; R59-V61 HydrophobicContact CG-CG2 4.19Å; V61-L173 PolarHBondContact O-N 2.98Å; V61-E174 HydrophobicContact CB-CB 3.88Å; V61-E174 HydrophobicContact CB-CG 4.24Å; V61-E174 HydrophobicContact CG2-CB 4.04Å; V61-E174 HydrophobicContact CG2-CG 4.5Å; V61-E174 PolarHBondContact N-O 2.8Å; V61-E174 PolarHBondContact O-N 3.3Å; V61-I205 HydrophobicContact CG1-CD1 4.36Å
62	I	98.9	Very high	98.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.4	-172.2	-50.7	179	0	0	0	108.6	K45 V46 F48 I60 L64 F76 L138 I172	K45-I62 CarbonylContact C-O 3.5Å; K45-I62 WeakPolarHBondContact CA-O 3.2Å; V46-I62 PolarHBondContact N-O 3.3Å; V46-I62 PolarHBondContact O-N 3.15Å; F48-I62 HydrophobicContact CD2-CD1 3.75Å; F48-I62 HydrophobicContact CE2-CD1 3.51Å; F48-I62 HydrophobicContact CZ-CD1 4.17Å; I60-I62 HydrophobicContact CG2-CG1 3.96Å; I62-L64 HydrophobicContact CG2-CD2 3.78Å; I62-F76 HydrophobicContact CD1-CE1 4.11Å; I62-F76 HydrophobicContact CD1-CZ 3.97Å; I62-L138 HydrophobicContact CD1-CD2 4.27Å; I62-L138 HydrophobicContact CG2-CB 4.48Å; I62-L138 HydrophobicContact CG2-CD2 3.47Å; I62-L138 VanDerWaalsContact CG2-CD2 3.47Å; I62-I172 HydrophobicContact CB-CD1 4.48Å; I62-I172 HydrophobicContact CD1-CD1 4.29Å; I62-I172 HydrophobicContact CG1-CD1 3.73Å; I62-I172 HydrophobicContact CG2-CD1 4.46Å
63	G	98.8	Very high	98.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.4	167.5	0	0	0	0	0	111.1	G170 K171	G63-G170 CarbonylContact O-C 3.54Å; G63-G170 WeakPolarHBondContact O-CA 3.34Å; G63-K171 PolarHBondContact N-O 3.39Å; G63-K171 PolarHBondContact O-N 3.09Å
64	L	98.9	Very high	98.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.3	-175.4	-59.4	176.5	0	0	0	112.2	V42 T43 A44 V46 I62 G66 V73 F76 I77 L138 F169	V42-L64 WeakPolarHBondContact CA-O 3.39Å; T43-L64 PolarHBondContact N-O 3.26Å; T43-L64 PolarHBondContact OG1-O 2.93Å; A44-L64 PolarHBondContact O-N 3.44Å; V46-L64 HydrophobicContact CB-CD1 4.31Å; V46-L64 HydrophobicContact CG2-CD1 3.7Å; I62-L64 HydrophobicContact CG2-CD2 3.78Å; L64-G66 PolarHBondContact O-N 2.91Å; L64-V73 HydrophobicContact CB-CG1 3.81Å; L64-V73 HydrophobicContact CB-CG2 4Å; L64-V73 HydrophobicContact CD1-CG1 4.13Å; L64-F76 HydrophobicContact CD1-CD1 3.97Å; L64-F76 HydrophobicContact CD2-CD1 3.89Å; L64-F76 HydrophobicContact CD2-CE1 4.15Å; L64-I77 HydrophobicContact CD1-CD1 3.91Å; L64-I77 HydrophobicContact CD1-CG1 3.47Å; L64-I77 VanDerWaalsContact CD1-CG1 3.47Å; L64-L138 HydrophobicContact CD2-CD2 4.01Å; L64-F169 HydrophobicContact CD2-CD2 3.99Å; L64-F169 HydrophobicContact CD2-CE2 4.07Å
65	F	98.6	Very high	98.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.			trans	-96.6	59.2	-171.2	-50	-43.2	0	0	0	113.4	P40 V42 K67 T68 V69 L130 W137 F169 G170 K171 I213	P40-F65 HydrophobicContact CB-CB 4.15Å; P40-F65 HydrophobicContact CB-CD1 3.57Å; P40-F65 HydrophobicContact CB-CD2 4.07Å; P40-F65 HydrophobicContact CB-CE1 3.91Å; P40-F65 HydrophobicContact CB-CE2 4.37Å; P40-F65 HydrophobicContact CB-CG 3.65Å; P40-F65 HydrophobicContact CB-CZ 4.29Å; P40-F65 HydrophobicContact CG-CD1 3.79Å; P40-F65 HydrophobicContact CG-CD2 4.09Å; P40-F65 HydrophobicContact CG-CE1 3.56Å; P40-F65 HydrophobicContact CG-CE2 3.88Å; P40-F65 HydrophobicContact CG-CG 4.05Å; P40-F65 HydrophobicContact CG-CZ 3.61Å; V42-F65 HydrophobicContact CG2-CD1 4.41Å; V42-F65 HydrophobicContact CG2-CE1 4.07Å; F65-K67 PolarHBondContact O-N 3.45Å; F65-K67 VanDerWaalsContact O-N 3.11Å; F65-T68 PolarHBondContact O-N 2.72Å; F65-V69 HydrophobicContact CB-CG2 4.35Å; F65-V69 PolarHBondContact O-N 3.46Å; F65-L130 HydrophobicContact CB-CD1 4.2Å; F65-L130 HydrophobicContact CD2-CD1 3.22Å; F65-L130 HydrophobicContact CE2-CD1 3.8Å; F65-L130 HydrophobicContact CG-CD1 3.96Å; F65-W137 AromaticContact CE2-CE3 3.94Å; F65-W137 HydrophobicContact CE2-CE3 3.94Å; F65-W137 AromaticContact CE2-CZ3 3.53Å; F65-W137 HydrophobicContact CE2-CZ3 3.53Å; F65-W137 HydrophobicContact CZ-CE3 4.27Å; F65-W137 HydrophobicContact CZ-CH2 4.36Å; F65-W137 AromaticContact CZ-CZ3 3.73Å; F65-W137 HydrophobicContact CZ-CZ3 3.73Å; F65-F169 WeakPolarHBondContact CD2-O 3.37Å; F65-F169 PolarHBondContact N-O 2.81Å; F65-G170 WeakPolarHBondContact CE2-O 3.34Å; F65-G170 VanDerWaalsContact CZ-C 3.44Å; F65-K171 HydrophobicContact CZ-CB 3.91Å; F65-I213 HydrophobicContact CE1-CD1 3.6Å; F65-I213 HydrophobicContact CE1-CG1 4.08Å; F65-I213 HydrophobicContact CZ-CD1 3.67Å; F65-I213 HydrophobicContact CZ-CG1 4.44Å
66	G	98.1	Very high	98.6	Very high	14 Å²	14	37 Å²	37	14%	0.144	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13	-170.9	0	0	0	0	0	115.6	T43 L64 P70	T43-G66 WeakPolarHBondContact OG1-CA 3.46Å; T43-G66 PolarHBondContact OG1-N 2.85Å; L64-G66 PolarHBondContact O-N 2.91Å; G66-P70 WeakPolarHBondContact O-CA 3.16Å; G66-P70 WeakPolarHBondContact O-CB 3.27Å
67	K	97.3	Very high	98.6	Very high	164 Å²	164	33.7 Å²	33.7	71%	0.713	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-23.1	167.2	-68.2	-46.6	-178	-179.6	0	113.3	T43 F65	T43-K67 HydrophobicContact CG2-CB 4.44Å; T43-K67 HydrophobicContact CG2-CD 4.42Å; T43-K67 HydrophobicContact CG2-CG 3.75Å; F65-K67 PolarHBondContact O-N 3.45Å; F65-K67 VanDerWaalsContact O-N 3.11Å
68	T	98.1	Very high	98.7	Very high	26 Å²	26	33.5 Å²	33.5	16%	0.16	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-40.9	-176.4	-53.3	0	0	0	0	111.7	F65 N127 K129 L130	F65-T68 PolarHBondContact O-N 2.72Å; T68-N127 PolarHBondContact O-ND2 3.43Å; T68-K129 HydrophobicContact CG2-CB 4.14Å; T68-K129 HydrophobicContact CG2-CD 4.26Å; T68-L130 HydrophobicContact CG2-CD1 3.92Å; T68-L130 HydrophobicContact CG2-CD2 4.48Å; T68-L130 HydrophobicContact CG2-CG 3.91Å
69	V	98.6	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.			trans	-138.9	65.3	-177.1	-78.2	0	0	0	0	110.4	F65 K71 T72 V73 E126 N127 V167 F169	F65-V69 HydrophobicContact CB-CG2 4.35Å; F65-V69 PolarHBondContact O-N 3.46Å; V69-K71 PolarHBondContact O-N 2.89Å; V69-T72 PolarHBondContact O-N 2.8Å; V69-V73 HydrophobicContact CG2-CG2 4.12Å; V69-V73 WeakPolarHBondContact O-CB 3.39Å; V69-V73 VanDerWaalsContact O-CG2 3.31Å; V69-V73 WeakPolarHBondContact O-CG2 3.24Å; V69-V73 PolarHBondContact O-N 2.83Å; V69-E126 VanDerWaalsContact C-CD 3.48Å; V69-E126 VanDerWaalsContact CA-CD 3.46Å; V69-E126 VanDerWaalsContact CA-OE2 3.24Å; V69-E126 WeakPolarHBondContact CA-OE2 3.15Å; V69-E126 VanDerWaalsContact CB-OE2 3.3Å; V69-E126 WeakPolarHBondContact CB-OE2 3.34Å; V69-E126 HydrophobicContact CG1-CB 4.39Å; V69-E126 HydrophobicContact CG1-CG 4.33Å; V69-N127 WeakPolarHBondContact CG1-ND2 3.21Å; V69-V167 HydrophobicContact CG1-CG1 3.9Å; V69-F169 HydrophobicContact CG2-CB 3.53Å
70	P	98.6	Very high	98.7	Very high	68 Å²	68	26.5 Å²	26.5	44%	0.442	13%	0.133	S	C	.	.	H	α-helix	trans	-55.6	-41.8	-175.2	19.4	-32.2	0	0	0	114.3	G66 V73 E74 E126	G66-P70 WeakPolarHBondContact O-CA 3.16Å; G66-P70 WeakPolarHBondContact O-CB 3.27Å; P70-V73 PolarHBondContact O-N 3.27Å; P70-E74 WeakPolarHBondContact O-CB 3Å; P70-E74 PolarHBondContact O-N 2.99Å; P70-E126 WeakPolarHBondContact CD-OE1 3.47Å; P70-E126 VanDerWaalsContact CG-OE1 3.3Å; P70-E126 WeakPolarHBondContact CG-OE1 3.43Å; P70-E126 VanDerWaalsContact N-OE1 3.1Å
71	K	98.8	Very high	98.7	Very high	134 Å²	134	29.1 Å²	29.1	58%	0.583	15%	0.149	S	C	*	.	H	α-helix	trans	-70	-43	-177.6	-64	-177.9	176.9	-177.7	0	111.6	V69 V73 E74 N75 Y119 E126	V69-K71 PolarHBondContact O-N 2.89Å; K71-V73 VanDerWaalsContact C-N 3.28Å; K71-V73 PolarHBondContact O-N 2.96Å; K71-E74 PolarHBondContact O-N 2.82Å; K71-N75 WeakPolarHBondContact O-CB 3.4Å; K71-N75 PolarHBondContact O-N 2.93Å; K71-Y119 WeakPolarHBondContact CA-OH 3.43Å; K71-Y119 HydrophobicContact CB-CE2 4.35Å; K71-Y119 PolarHBondContact O-OH 2.81Å; K71-E126 PolarHBondContact N-OE1 2.88Å; K71-E126 PolarHBondContact N-OE2 2.89Å
72	T	98.9	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-41.3	177.8	-49.7	0	0	0	0	110.5	V69 F76 F123 E126 M140 V167 F169	V69-T72 PolarHBondContact O-N 2.8Å; T72-F76 PolarHBondContact O-N 3.01Å; T72-F76 VanDerWaalsContact O-N 3.08Å; T72-F123 HydrophobicContact CG2-CZ 4.35Å; T72-E126 WeakPolarHBondContact CB-OE2 3.25Å; T72-E126 PolarHBondContact N-OE2 2.83Å; T72-E126 PolarHBondContact OG1-OE2 2.94Å; T72-M140 HydrophobicContact CG2-CG 3.64Å; T72-M140 HydrophobicContact CG2-SD 3.85Å; T72-V167 HydrophobicContact CG2-CG1 4.22Å; T72-F169 HydrophobicContact CG2-CB 3.72Å; T72-F169 HydrophobicContact CG2-CD1 3.73Å; T72-F169 HydrophobicContact CG2-CD2 4.22Å; T72-F169 HydrophobicContact CG2-CE1 4.36Å; T72-F169 HydrophobicContact CG2-CG 3.64Å
73	V	98.8	Very high	98.6	Very high	6 Å²	6	36 Å²	36	4%	0.036	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-43	178.2	167.2	0	0	0	0	112.2	L64 V69 P70 K71 F76 I77 F169	L64-V73 HydrophobicContact CB-CG1 3.81Å; L64-V73 HydrophobicContact CB-CG2 4Å; L64-V73 HydrophobicContact CD1-CG1 4.13Å; V69-V73 HydrophobicContact CG2-CG2 4.12Å; V69-V73 WeakPolarHBondContact O-CB 3.39Å; V69-V73 VanDerWaalsContact O-CG2 3.31Å; V69-V73 WeakPolarHBondContact O-CG2 3.24Å; V69-V73 PolarHBondContact O-N 2.83Å; P70-V73 PolarHBondContact O-N 3.27Å; K71-V73 VanDerWaalsContact C-N 3.28Å; K71-V73 PolarHBondContact O-N 2.96Å; V73-F76 PolarHBondContact O-N 2.71Å; V73-I77 HydrophobicContact CG1-CD1 3.64Å; V73-I77 HydrophobicContact CG1-CG1 4.32Å; V73-I77 VanDerWaalsContact O-CG1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 2.97Å; V73-F169 HydrophobicContact CG2-CB 4.42Å; V73-F169 HydrophobicContact CG2-CD2 4.5Å
74	E	98.8	Very high	98.4	Very high	102 Å²	102	42.1 Å²	42.1	48%	0.477	22%	0.215	S	C	.	.	H	α-helix	trans	-58	-49.7	174.9	-178.9	-175.6	-150.9	0	0	110.8	P70 K71 F76 I77 T78 I118 Y119	P70-E74 WeakPolarHBondContact O-CB 3Å; P70-E74 PolarHBondContact O-N 2.99Å; K71-E74 PolarHBondContact O-N 2.82Å; E74-F76 VanDerWaalsContact C-N 3.33Å; E74-F76 PolarHBondContact O-N 2.88Å; E74-I77 PolarHBondContact O-N 3.25Å; E74-T78 WeakPolarHBondContact O-CB 3.37Å; E74-T78 PolarHBondContact O-N 2.89Å; E74-T78 PolarHBondContact O-OG1 3.39Å; E74-I118 HydrophobicContact CG-CD1 3.98Å; E74-Y119 PolarHBondContact OE2-OH 3.28Å
75	N	98.9	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-52.9	-50.4	174.5	175.7	65.5	0	0	0	112.1	K71 I77 T78 L79 S117 I118 Y119 G149	K71-N75 WeakPolarHBondContact O-CB 3.4Å; K71-N75 PolarHBondContact O-N 2.93Å; N75-I77 PolarHBondContact O-N 3.12Å; N75-T78 PolarHBondContact O-N 2.97Å; N75-L79 WeakPolarHBondContact O-CB 3.43Å; N75-L79 WeakPolarHBondContact O-CG 3.29Å; N75-L79 PolarHBondContact O-N 3.35Å; N75-S117 VanDerWaalsContact OD1-CA 3.23Å; N75-S117 WeakPolarHBondContact OD1-CA 3.27Å; N75-S117 VanDerWaalsContact OD1-CB 3.25Å; N75-S117 WeakPolarHBondContact OD1-CB 3.19Å; N75-I118 HydrophobicContact CB-CD1 4.48Å; N75-I118 HydrophobicContact CB-CG1 4.16Å; N75-I118 PolarHBondContact OD1-N 3.11Å; N75-Y119 HydrophobicContact CB-CE2 3.86Å; N75-G149 PolarHBondContact ND2-O 2.86Å; N75-G149 VanDerWaalsContact ND2-O 3.08Å
76	F	98.9	Very high	98.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-39.7	-177.5	-169.9	-96.4	0	0	0	112.9	V46 F48 I62 L64 T72 V73 E74 A80 Y88 L138 F152 F169	V46-F76 HydrophobicContact CB-CD1 4.43Å; V46-F76 HydrophobicContact CB-CE1 3.99Å; V46-F76 HydrophobicContact CG1-CE1 3.82Å; V46-F76 HydrophobicContact CG2-CD1 4.14Å; V46-F76 HydrophobicContact CG2-CE1 4.19Å; F48-F76 HydrophobicContact CE1-CZ 4.47Å; F48-F76 AromaticContact CE2-CZ 3.83Å; F48-F76 HydrophobicContact CE2-CZ 3.83Å; F48-F76 HydrophobicContact CZ-CE1 4.03Å; F48-F76 HydrophobicContact CZ-CE2 4.19Å; F48-F76 AromaticContact CZ-CZ 3.42Å; F48-F76 HydrophobicContact CZ-CZ 3.42Å; F48-F76 VanDerWaalsContact CZ-CZ 3.42Å; I62-F76 HydrophobicContact CD1-CE1 4.11Å; I62-F76 HydrophobicContact CD1-CZ 3.97Å; L64-F76 HydrophobicContact CD1-CD1 3.97Å; L64-F76 HydrophobicContact CD2-CD1 3.89Å; L64-F76 HydrophobicContact CD2-CE1 4.15Å; T72-F76 PolarHBondContact O-N 3.01Å; T72-F76 VanDerWaalsContact O-N 3.08Å; V73-F76 PolarHBondContact O-N 2.71Å; E74-F76 VanDerWaalsContact C-N 3.33Å; E74-F76 PolarHBondContact O-N 2.88Å; F76-A80 WeakPolarHBondContact O-CB 3.29Å; F76-A80 PolarHBondContact O-N 3.24Å; F76-Y88 AromaticContact CD2-CE2 3.6Å; F76-Y88 HydrophobicContact CD2-CE2 3.6Å; F76-Y88 AromaticContact CD2-CZ 3.82Å; F76-Y88 VanDerWaalsContact CD2-OH 3.29Å; F76-Y88 WeakPolarHBondContact CD2-OH 3.28Å; F76-Y88 AromaticContact CE2-CE2 3.64Å; F76-Y88 HydrophobicContact CE2-CE2 3.64Å; F76-Y88 AromaticContact CE2-CZ 3.94Å; F76-Y88 HydrophobicContact CG-CE2 4.12Å; F76-Y88 HydrophobicContact CZ-CE2 4.2Å; F76-L138 HydrophobicContact CE1-CD2 4.01Å; F76-L138 HydrophobicContact CE2-CD2 4.12Å; F76-L138 HydrophobicContact CZ-CD2 3.75Å; F76-F152 HydrophobicContact CD2-CD1 4.44Å; F76-F152 HydrophobicContact CE2-CB 4.34Å; F76-F152 AromaticContact CE2-CD1 3.63Å; F76-F152 HydrophobicContact CE2-CD1 3.63Å; F76-F152 HydrophobicContact CE2-CD2 4.37Å; F76-F152 AromaticContact CE2-CE1 3.94Å; F76-F152 HydrophobicContact CE2-CE1 3.94Å; F76-F152 AromaticContact CE2-CG 3.86Å; F76-F152 HydrophobicContact CE2-CG 3.86Å; F76-F152 HydrophobicContact CE2-CZ 4.44Å; F76-F169 HydrophobicContact CB-CD2 4.45Å; F76-F169 HydrophobicContact CB-CE2 3.73Å; F76-F169 HydrophobicContact CB-CZ 4.39Å; F76-F169 AromaticContact CD1-CE2 3.97Å; F76-F169 HydrophobicContact CD1-CE2 3.97Å; F76-F169 AromaticContact CD2-CE2 3.49Å; F76-F169 HydrophobicContact CD2-CE2 3.49Å; F76-F169 VanDerWaalsContact CD2-CE2 3.49Å; F76-F169 AromaticContact CD2-CZ 3.5Å; F76-F169 HydrophobicContact CD2-CZ 3.5Å; F76-F169 VanDerWaalsContact CD2-CZ 3.5Å; F76-F169 HydrophobicContact CE1-CE2 4.43Å; F76-F169 HydrophobicContact CE2-CE2 4.01Å; F76-F169 AromaticContact CE2-CZ 3.86Å; F76-F169 HydrophobicContact CE2-CZ 3.86Å; F76-F169 AromaticContact CG-CE2 3.46Å; F76-F169 HydrophobicContact CG-CE2 3.46Å; F76-F169 VanDerWaalsContact CG-CE2 3.46Å; F76-F169 AromaticContact CG-CZ 3.99Å; F76-F169 HydrophobicContact CG-CZ 3.99Å; F76-F169 HydrophobicContact CZ-CE2 4.44Å
77	I	98.8	Very high	98.4	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.128	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-50	176.9	-70.6	169.8	0	0	0	110.4	A44 V46 L64 V73 E74 N75 L79 A80 T81 K204	A44-I77 HydrophobicContact CB-CD1 3.6Å; V46-I77 HydrophobicContact CG2-CG1 4.06Å; L64-I77 HydrophobicContact CD1-CD1 3.91Å; L64-I77 HydrophobicContact CD1-CG1 3.47Å; L64-I77 VanDerWaalsContact CD1-CG1 3.47Å; V73-I77 HydrophobicContact CG1-CD1 3.64Å; V73-I77 HydrophobicContact CG1-CG1 4.32Å; V73-I77 VanDerWaalsContact O-CG1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 2.97Å; E74-I77 PolarHBondContact O-N 3.25Å; N75-I77 PolarHBondContact O-N 3.12Å; I77-L79 VanDerWaalsContact C-N 3.26Å; I77-L79 PolarHBondContact O-N 3.47Å; I77-A80 CarbonylContact O-C 3.57Å; I77-A80 WeakPolarHBondContact O-CA 3.35Å; I77-A80 WeakPolarHBondContact O-CB 3.42Å; I77-A80 PolarHBondContact O-N 2.8Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CG2 3.31Å; I77-T81 PolarHBondContact O-N 3.49Å; I77-T81 PolarHBondContact O-OG1 3.43Å; I77-K204 HydrophobicContact CG2-CB 4.26Å; I77-K204 HydrophobicContact CG2-CD 3.91Å; I77-K204 HydrophobicContact CG2-CG 4.09Å
78	T	98.8	Very high	98.5	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-36.2	-179.7	-68.4	0	0	0	0	111.6	E74 N75 T81 G82 E83 K84 I118	E74-T78 WeakPolarHBondContact O-CB 3.37Å; E74-T78 PolarHBondContact O-N 2.89Å; E74-T78 PolarHBondContact O-OG1 3.39Å; N75-T78 PolarHBondContact O-N 2.97Å; T78-T81 PolarHBondContact O-OG1 3.03Å; T78-G82 PolarHBondContact O-N 3.18Å; T78-E83 HydrophobicContact CG2-CG 3.69Å; T78-E83 WeakPolarHBondContact CG2-OE1 3.36Å; T78-E83 PolarHBondContact OG1-OE1 2.92Å; T78-K84 HydrophobicContact CG2-CB 4.41Å; T78-K84 HydrophobicContact CG2-CD 4.49Å; T78-K84 HydrophobicContact CG2-CG 3.44Å; T78-K84 VanDerWaalsContact CG2-CG 3.44Å; T78-I118 HydrophobicContact CG2-CB 4.31Å; T78-I118 HydrophobicContact CG2-CD1 4.38Å; T78-I118 HydrophobicContact CG2-CG2 3.39Å
79	L	98.9	Very high	98.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-70.5	-32	172.9	-69.9	173.9	0	0	0	112.7	N75 I77 F86 G87 Y88 F107 I118	N75-L79 WeakPolarHBondContact O-CB 3.43Å; N75-L79 WeakPolarHBondContact O-CG 3.29Å; N75-L79 PolarHBondContact O-N 3.35Å; I77-L79 VanDerWaalsContact C-N 3.26Å; I77-L79 PolarHBondContact O-N 3.47Å; L79-F86 HydrophobicContact CD2-CD2 3.71Å; L79-F86 HydrophobicContact CD2-CE2 3.67Å; L79-G87 CarbonylContact O-C 3.56Å; L79-G87 WeakPolarHBondContact O-CA 3.48Å; L79-Y88 HydrophobicContact CB-CD1 4.48Å; L79-Y88 HydrophobicContact CB-CD2 3.85Å; L79-Y88 HydrophobicContact CB-CE1 4.1Å; L79-Y88 HydrophobicContact CB-CE2 3.4Å; L79-Y88 VanDerWaalsContact CB-CE2 3.4Å; L79-Y88 HydrophobicContact CB-CG 4.36Å; L79-Y88 HydrophobicContact CD1-CE1 4.09Å; L79-Y88 HydrophobicContact CD1-CE2 4.35Å; L79-Y88 VanDerWaalsContact CD1-OH 3.24Å; L79-Y88 WeakPolarHBondContact CD1-OH 3.28Å; L79-Y88 PolarHBondContact O-N 2.74Å; L79-F107 HydrophobicContact CD1-CE1 4.36Å; L79-F107 HydrophobicContact CD2-CE1 3.6Å; L79-F107 HydrophobicContact CD2-CZ 3.91Å; L79-I118 HydrophobicContact CD2-CG2 4.32Å; L79-I118 HydrophobicContact CG-CG2 4.21Å
80	A	98.8	Very high	98.5	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.017	28%	0.279	C	S	.	.	H	α-helix	trans	-73.6	-34.9	174.2	0	0	0	0	0	112.7	V46 F48 F76 I77 Y88 C202	V46-A80 HydrophobicContact CB-CB 4.45Å; V46-A80 HydrophobicContact CG1-CB 3.63Å; V46-A80 HydrophobicContact CG2-CB 3.89Å; F48-A80 HydrophobicContact CE1-CB 4.43Å; F76-A80 WeakPolarHBondContact O-CB 3.29Å; F76-A80 PolarHBondContact O-N 3.24Å; I77-A80 CarbonylContact O-C 3.57Å; I77-A80 WeakPolarHBondContact O-CA 3.35Å; I77-A80 WeakPolarHBondContact O-CB 3.42Å; I77-A80 PolarHBondContact O-N 2.8Å; A80-Y88 HydrophobicContact CB-CD2 4.12Å; A80-C202 CarbonylContact O-C 3.56Å; A80-C202 PolarHBondContact O-SG 3.49Å
81	T	98.7	Very high	98.5	Very high	55 Å²	55	46.8 Å²	46.8	34%	0.337	26%	0.26	S	S	.	.	H	α-helix	trans	-78.9	-26.1	176.4	61.8	0	0	0	0	112.6	I77 T78 E83 K204	I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CG2 3.31Å; I77-T81 PolarHBondContact O-N 3.49Å; I77-T81 PolarHBondContact O-OG1 3.43Å; T78-T81 PolarHBondContact O-OG1 3.03Å; T81-E83 PolarHBondContact O-N 2.96Å; T81-E83 WeakPolarHBondContact OG1-CG 3.32Å; T81-E83 PolarHBondContact OG1-N 2.93Å; T81-E83 PolarHBondContact OG1-OE2 3.38Å; T81-K204 HydrophobicContact CG2-CB 3.9Å
82	G	98.3	Very high	98.5	Very high	27 Å²	27	42.6 Å²	42.6	28%	0.278	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	14.2	-176.9	0	0	0	0	0	113.7	T78 K84 G85	T78-G82 PolarHBondContact O-N 3.18Å; G82-K84 PolarHBondContact O-N 3.03Å; G82-G85 PolarHBondContact O-N 2.85Å
83	E	97.5	Very high	98.5	Very high	125 Å²	125	42.7 Å²	42.7	58%	0.584	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.4	-174.5	66.6	-171.9	-160.8	0	0	114.1	T78 T81	T78-E83 HydrophobicContact CG2-CG 3.69Å; T78-E83 WeakPolarHBondContact CG2-OE1 3.36Å; T78-E83 PolarHBondContact OG1-OE1 2.92Å; T81-E83 PolarHBondContact O-N 2.96Å; T81-E83 WeakPolarHBondContact OG1-CG 3.32Å; T81-E83 PolarHBondContact OG1-N 2.93Å; T81-E83 PolarHBondContact OG1-OE2 3.38Å
84	K	96.5	Very high	98.5	Very high	128 Å²	128	43.1 Å²	43.1	56%	0.557	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	7.4	173.9	-62	-66.7	-178.1	-179	0	113.7	T78 G82 F86	T78-K84 HydrophobicContact CG2-CB 4.41Å; T78-K84 HydrophobicContact CG2-CD 4.49Å; T78-K84 HydrophobicContact CG2-CG 3.44Å; T78-K84 VanDerWaalsContact CG2-CG 3.44Å; G82-K84 PolarHBondContact O-N 3.03Å; K84-F86 VanDerWaalsContact C-N 3.3Å; K84-F86 HydrophobicContact CB-CD1 4.15Å; K84-F86 HydrophobicContact CB-CE1 3.66Å; K84-F86 HydrophobicContact CB-CZ 3.87Å; K84-F86 VanDerWaalsContact O-CD1 3.28Å; K84-F86 WeakPolarHBondContact O-CD1 3.21Å; K84-F86 WeakPolarHBondContact O-CE1 2.92Å
85	G	97.8	Very high	98.5	Very high	76 Å²	76	42.9 Å²	42.9	78%	0.784	24%	0.239	S	C	*	.	S	Bend	trans	80.6	7.1	-178	0	0	0	0	0	114.5	G82	G82-G85 PolarHBondContact O-N 2.85Å
86	F	98.4	Very high	98.5	Very high	56 Å²	56	42.9 Å²	42.9	25%	0.246	24%	0.239	C	C	.	.			trans	-147.9	152.4	173.4	57	-92.7	0	0	0	109.3	L79 K84 F107 K116	L79-F86 HydrophobicContact CD2-CD2 3.71Å; L79-F86 HydrophobicContact CD2-CE2 3.67Å; K84-F86 VanDerWaalsContact C-N 3.3Å; K84-F86 HydrophobicContact CB-CD1 4.15Å; K84-F86 HydrophobicContact CB-CE1 3.66Å; K84-F86 HydrophobicContact CB-CZ 3.87Å; K84-F86 VanDerWaalsContact O-CD1 3.28Å; K84-F86 WeakPolarHBondContact O-CD1 3.21Å; K84-F86 WeakPolarHBondContact O-CE1 2.92Å; F86-F107 HydrophobicContact CB-CE2 4.03Å; F86-F107 HydrophobicContact CD2-CE1 4.45Å; F86-F107 AromaticContact CD2-CE2 3.81Å; F86-F107 HydrophobicContact CD2-CE2 3.81Å; F86-F107 AromaticContact CD2-CZ 3.56Å; F86-F107 HydrophobicContact CD2-CZ 3.56Å; F86-F107 HydrophobicContact CE2-CZ 4.21Å; F86-F107 HydrophobicContact CG-CE2 4.27Å; F86-F107 HydrophobicContact CG-CZ 4.45Å; F86-K116 HydrophobicContact CE2-CG 4.3Å
87	G	98.6	Very high	98.5	Very high	13 Å²	13	44.6 Å²	44.6	13%	0.134	25%	0.248	C	C	.	.			trans	173.1	-169.4	-174.5	0	0	0	0	0	114.7	L79 F107	L79-G87 CarbonylContact O-C 3.56Å; L79-G87 WeakPolarHBondContact O-CA 3.48Å; G87-F107 WeakPolarHBondContact O-CB 3.15Å; G87-F107 WeakPolarHBondContact O-CG 3.38Å
88	Y	98.9	Very high	98.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-78.7	-18.6	-172.2	-62.3	-46.7	0	0	0	115.2	F48 F76 L79 A80 S90 S91 F107 S150 F152	F48-Y88 HydrophobicContact CE1-CD2 4.09Å; F48-Y88 AromaticContact CZ-CD2 3.99Å; F48-Y88 HydrophobicContact CZ-CD2 3.99Å; F76-Y88 AromaticContact CD2-CE2 3.6Å; F76-Y88 HydrophobicContact CD2-CE2 3.6Å; F76-Y88 AromaticContact CD2-CZ 3.82Å; F76-Y88 VanDerWaalsContact CD2-OH 3.29Å; F76-Y88 WeakPolarHBondContact CD2-OH 3.28Å; F76-Y88 AromaticContact CE2-CE2 3.64Å; F76-Y88 HydrophobicContact CE2-CE2 3.64Å; F76-Y88 AromaticContact CE2-CZ 3.94Å; F76-Y88 HydrophobicContact CG-CE2 4.12Å; F76-Y88 HydrophobicContact CZ-CE2 4.2Å; L79-Y88 HydrophobicContact CB-CD1 4.48Å; L79-Y88 HydrophobicContact CB-CD2 3.85Å; L79-Y88 HydrophobicContact CB-CE1 4.1Å; L79-Y88 HydrophobicContact CB-CE2 3.4Å; L79-Y88 VanDerWaalsContact CB-CE2 3.4Å; L79-Y88 HydrophobicContact CB-CG 4.36Å; L79-Y88 HydrophobicContact CD1-CE1 4.09Å; L79-Y88 HydrophobicContact CD1-CE2 4.35Å; L79-Y88 VanDerWaalsContact CD1-OH 3.24Å; L79-Y88 WeakPolarHBondContact CD1-OH 3.28Å; L79-Y88 PolarHBondContact O-N 2.74Å; A80-Y88 HydrophobicContact CB-CD2 4.12Å; Y88-S90 PolarHBondContact O-N 2.96Å; Y88-S91 WeakPolarHBondContact O-CB 3.31Å; Y88-S91 PolarHBondContact O-N 3.36Å; Y88-S91 PolarHBondContact O-OG 2.96Å; Y88-F107 HydrophobicContact CD1-CD1 4.23Å; Y88-F107 HydrophobicContact CE1-CD1 4.38Å; Y88-S150 VanDerWaalsContact CE1-O 3.3Å; Y88-S150 WeakPolarHBondContact CE1-O 3.45Å; Y88-S150 PolarHBondContact OH-O 2.88Å; Y88-F152 HydrophobicContact CD1-CE1 4.18Å; Y88-F152 HydrophobicContact CE1-CD1 4.11Å; Y88-F152 AromaticContact CE1-CE1 3.95Å; Y88-F152 HydrophobicContact CE1-CE1 3.95Å; Y88-F152 HydrophobicContact CE2-CE1 4.46Å
89	K	98.8	Very high	98.4	Very high	119 Å²	119	53.8 Å²	53.8	52%	0.517	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	130.4	179.6	-172.4	166.3	-177.1	157	0	110.1	S91 H200 D201 C202	K89-S91 PolarHBondContact O-N 3.28Å; K89-H200 WeakPolarHBondContact CE-O 3.46Å; K89-D201 VanDerWaalsContact CE-OD1 3.28Å; K89-D201 WeakPolarHBondContact CE-OD1 3.49Å; K89-D201 IonicContact NZ-OD1 3.41Å; K89-D201 PolarHBondContact NZ-OD1 2.66Å; K89-C202 PolarHBondContact N-SG 3.39Å; K89-C202 VanDerWaalsContact N-SG 3.38Å
90	S	98.1	Very high	98.4	Very high	98 Å²	98	55.9 Å²	55.9	69%	0.685	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	5.7	-173.8	-49.6	0	0	0	0	115.9	Y88 I199	Y88-S90 PolarHBondContact O-N 2.96Å; S90-I199 WeakPolarHBondContact CA-O 3.48Å; S90-I199 PolarHBondContact N-O 2.91Å
91	S	98.8	Very high	98.4	Very high	7 Å²	7	56 Å²	56	5%	0.049	30%	0.3	C	S	.	.			trans	-77.3	168.6	169.2	77.2	0	0	0	0	111.1	Y88 K89 S198 I199	Y88-S91 WeakPolarHBondContact O-CB 3.31Å; Y88-S91 PolarHBondContact O-N 3.36Å; Y88-S91 PolarHBondContact O-OG 2.96Å; K89-S91 PolarHBondContact O-N 3.28Å; S91-S198 WeakPolarHBondContact O-CA 3.29Å; S91-I199 PolarHBondContact O-N 2.84Å
92	K	98.6	Very high	98.4	Very high	47 Å²	47	53.4 Å²	53.4	20%	0.204	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.2	-174.2	56.9	175.7	142.3	158.3	0	114.1	H94 G104 G110 V197	K92-H94 HydrophobicContact CD-CB 4.47Å; K92-H94 HydrophobicContact CG-CB 4.34Å; K92-H94 PolarHBondContact O-N 3.37Å; K92-G104 WeakPolarHBondContact O-CA 3.02Å; K92-G110 WeakPolarHBondContact CE-O 3.37Å; K92-G110 PolarHBondContact NZ-O 3.42Å; K92-V197 CarbonylContact C-O 3.52Å; K92-V197 WeakPolarHBondContact CA-O 3.41Å; K92-V197 VanDerWaalsContact CB-O 3.26Å; K92-V197 WeakPolarHBondContact CB-O 3.36Å
93	F	98.9	Very high	98.5	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	97.2	159.1	-66.7	-94	0	0	0	108	I50 V96 I102 Q103 F152 I154 I182 V197 I199	I50-F93 HydrophobicContact CD1-CE2 3.82Å; F93-V96 HydrophobicContact CB-CG2 4.46Å; F93-I102 HydrophobicContact CD1-CB 4.11Å; F93-I102 HydrophobicContact CD1-CD1 4.15Å; F93-I102 HydrophobicContact CD1-CG1 4.14Å; F93-I102 HydrophobicContact CE1-CD1 3.87Å; F93-I102 HydrophobicContact CE1-CG1 4.05Å; F93-I102 HydrophobicContact CZ-CD1 4.46Å; F93-Q103 CarbonylContact C-O 3.52Å; F93-Q103 WeakPolarHBondContact CA-O 3.49Å; F93-F152 AromaticContact CE1-CE2 3.87Å; F93-F152 HydrophobicContact CE1-CE2 3.87Å; F93-F152 HydrophobicContact CE1-CZ 4.24Å; F93-F152 HydrophobicContact CZ-CE2 4.13Å; F93-F152 HydrophobicContact CZ-CZ 4.2Å; F93-I154 HydrophobicContact CE1-CD1 4.27Å; F93-I154 HydrophobicContact CZ-CD1 4.45Å; F93-I182 HydrophobicContact CE2-CD1 4.33Å; F93-V197 HydrophobicContact CB-CB 4.14Å; F93-V197 HydrophobicContact CB-CG1 4.19Å; F93-V197 HydrophobicContact CD2-CB 4.48Å; F93-V197 HydrophobicContact CD2-CG1 3.77Å; F93-V197 HydrophobicContact CG-CG1 4.3Å; F93-V197 PolarHBondContact N-O 3.07Å; F93-I199 HydrophobicContact CD2-CG1 4.49Å; F93-I199 HydrophobicContact CE2-CD1 4.19Å; F93-I199 HydrophobicContact CE2-CG1 3.81Å
94	H	98.8	Very high	98.5	Very high	15 Å²	15	47.3 Å²	47.3	7%	0.069	25%	0.248	C	C	.	.			trans	-86.6	-11.5	-172.8	60.5	-89.8	0	0	0	112.9	K92 Q103 G110 G112 Q151	K92-H94 HydrophobicContact CD-CB 4.47Å; K92-H94 HydrophobicContact CG-CB 4.34Å; K92-H94 PolarHBondContact O-N 3.37Å; H94-Q103 PolarHBondContact N-O 2.85Å; H94-Q103 VanDerWaalsContact N-O 3.09Å; H94-G110 WeakPolarHBondContact CB-O 3.29Å; H94-G112 VanDerWaalsContact NE2-CA 3.29Å; H94-G112 WeakPolarHBondContact NE2-CA 3.31Å; H94-Q151 PolarHBondContact CE1-OE1 3.35Å; H94-Q151 PolarHBondContact NE2-OE1 3.4Å
95	R	98.8	Very high	98.6	Very high	96 Å²	96	41.2 Å²	41.2	36%	0.362	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	123.9	179.6	-166.2	-172.4	-175.7	-162.6	1.5	110.6	M101 Q103 D191	R95-M101 HydrophobicContact CG-CE 4.12Å; R95-Q103 HydrophobicContact CB-CB 4.22Å; R95-Q103 PolarHBondContact N-O 3.5Å; R95-Q103 PolarHBondContact O-N 2.78Å; R95-D191 CarbonylContact C-O 3.55Å; R95-D191 WeakPolarHBondContact CA-O 3.43Å; R95-D191 HydrophobicContact CG-CB 3.8Å; R95-D191 IonicContact CZ-OD2 3.59Å; R95-D191 IonicContact NE-OD2 3.31Å; R95-D191 PolarHBondContact NE-OD2 3.39Å; R95-D191 IonicContact NH2-OD2 2.95Å; R95-D191 PolarHBondContact NH2-OD2 2.85Å
96	V	98.9	Very high	98.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	118.4	-177.4	169.2	0	0	0	0	108.7	F93 I102 I182 T185 T187 D191 P193	F93-V96 HydrophobicContact CB-CG2 4.46Å; V96-I102 HydrophobicContact CB-CG2 4.45Å; V96-I102 HydrophobicContact CG1-CG2 4Å; V96-I102 HydrophobicContact CG2-CB 4.29Å; V96-I102 HydrophobicContact CG2-CG2 4.06Å; V96-I182 HydrophobicContact CG2-CG2 3.95Å; V96-T185 HydrophobicContact CG1-CG2 4.27Å; V96-T187 HydrophobicContact CB-CG2 4.02Å; V96-T187 HydrophobicContact CG1-CG2 4.26Å; V96-D191 PolarHBondContact N-O 2.74Å; V96-P193 HydrophobicContact CB-CG 4.08Å; V96-P193 HydrophobicContact CG2-CG 3.59Å
97	I	98.7	Very high	98.7	Very high	35 Å²	35	37 Å²	37	18%	0.179	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114	177.7	-57.2	175.5	0	0	0	107.9	F100 M101 D191	I97-F100 HydrophobicContact CB-CB 4.03Å; I97-F100 HydrophobicContact CB-CD1 3.98Å; I97-F100 HydrophobicContact CB-CG 4.49Å; I97-F100 HydrophobicContact CD1-CD1 3.8Å; I97-F100 HydrophobicContact CD1-CE1 4.19Å; I97-F100 HydrophobicContact CG1-CD1 4.46Å; I97-F100 HydrophobicContact CG2-CB 3.79Å; I97-F100 HydrophobicContact CG2-CD1 3.99Å; I97-F100 HydrophobicContact CG2-CG 4.42Å; I97-F100 PolarHBondContact O-N 3.38Å; I97-M101 HydrophobicContact CB-CE 4.04Å; I97-M101 HydrophobicContact CD1-CE 3.62Å; I97-M101 HydrophobicContact CG1-CE 3.66Å; I97-M101 PolarHBondContact N-O 2.91Å; I97-M101 PolarHBondContact O-N 2.86Å; I97-D191 HydrophobicContact CD1-CB 4.41Å; I97-D191 WeakPolarHBondContact CD1-OD2 3.19Å; I97-D191 HydrophobicContact CG1-CB 3.74Å
98	K	98.4	Very high	98.7	Very high	131 Å²	131	39.9 Å²	39.9	57%	0.57	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	139.7	176.6	-173.6	-178	168.3	56.1	0	110.8	F100 E183	K98-F100 PolarHBondContact O-N 3.09Å; K98-E183 HydrophobicContact CB-CG 4.44Å; K98-E183 HydrophobicContact CG-CG 4.29Å
99	D	98.4	Very high	98.6	Very high	95 Å²	95	47.9 Å²	47.9	51%	0.508	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	33.3	-177.9	-51.7	-46.2	0	0	0	111.9	I157 E183	D99-I157 HydrophobicContact CB-CG2 4.42Å; D99-I157 WeakPolarHBondContact O-CD1 3.39Å; D99-I157 WeakPolarHBondContact O-CG1 3.42Å; D99-E183 WeakPolarHBondContact CA-OE1 3.35Å; D99-E183 PolarHBondContact N-OE1 3.28Å
100	F	98.7	Very high	98.6	Very high	46 Å²	46	42.5 Å²	42.5	20%	0.202	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147	-76.8	174.2	-179.3	-155.6	0	0	0	111.8	I97 K98 T156 T159 W161 L162	I97-F100 HydrophobicContact CB-CB 4.03Å; I97-F100 HydrophobicContact CB-CD1 3.98Å; I97-F100 HydrophobicContact CB-CG 4.49Å; I97-F100 HydrophobicContact CD1-CD1 3.8Å; I97-F100 HydrophobicContact CD1-CE1 4.19Å; I97-F100 HydrophobicContact CG1-CD1 4.46Å; I97-F100 HydrophobicContact CG2-CB 3.79Å; I97-F100 HydrophobicContact CG2-CD1 3.99Å; I97-F100 HydrophobicContact CG2-CG 4.42Å; I97-F100 PolarHBondContact O-N 3.38Å; K98-F100 PolarHBondContact O-N 3.09Å; F100-T156 VanDerWaalsContact C-OG1 3.3Å; F100-T156 PolarHBondContact N-OG1 3.47Å; F100-T156 VanDerWaalsContact N-OG1 3.14Å; F100-T156 PolarHBondContact O-N 2.99Å; F100-T156 PolarHBondContact O-OG1 3.31Å; F100-T159 HydrophobicContact CD2-CG2 3.67Å; F100-T159 HydrophobicContact CE2-CG2 3.77Å; F100-W161 AromaticContact CD2-CZ2 3.82Å; F100-W161 HydrophobicContact CD2-CZ2 3.82Å; F100-W161 AromaticContact CE2-CZ2 3.73Å; F100-W161 HydrophobicContact CE2-CZ2 3.73Å; F100-W161 AromaticContact CE2-NE1 3.78Å; F100-L162 HydrophobicContact CE2-CD1 3.94Å; F100-L162 HydrophobicContact CZ-CD1 4.18Å
101	M	98.8	Very high	98.6	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	162	-172.7	64.5	83.8	-137.1	0	0	113.6	R95 I97 Q103 F153 I154	R95-M101 HydrophobicContact CG-CE 4.12Å; I97-M101 HydrophobicContact CB-CE 4.04Å; I97-M101 HydrophobicContact CD1-CE 3.62Å; I97-M101 HydrophobicContact CG1-CE 3.66Å; I97-M101 PolarHBondContact N-O 2.91Å; I97-M101 PolarHBondContact O-N 2.86Å; M101-Q103 HydrophobicContact CE-CB 4.23Å; M101-Q103 HydrophobicContact SD-CB 3.58Å; M101-Q103 VanDerWaalsContact SD-CB 3.58Å; M101-F153 HydrophobicContact CB-CB 4.35Å; M101-F153 HydrophobicContact CB-CD2 4.03Å; M101-F153 HydrophobicContact CG-CB 4.43Å; M101-F153 HydrophobicContact CG-CD2 4.42Å; M101-F153 HydrophobicContact SD-CB 3.89Å; M101-I154 CarbonylContact C-O 3.47Å; M101-I154 VanDerWaalsContact CA-O 3.24Å; M101-I154 WeakPolarHBondContact CA-O 3.3Å; M101-I154 WeakPolarHBondContact CB-O 3.44Å
102	I	98.9	Very high	98.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.1	167.4	62.6	171.9	0	0	0	109.4	F93 V96 F153 I154 V179 I182 E183	F93-I102 HydrophobicContact CD1-CB 4.11Å; F93-I102 HydrophobicContact CD1-CD1 4.15Å; F93-I102 HydrophobicContact CD1-CG1 4.14Å; F93-I102 HydrophobicContact CE1-CD1 3.87Å; F93-I102 HydrophobicContact CE1-CG1 4.05Å; F93-I102 HydrophobicContact CZ-CD1 4.46Å; V96-I102 HydrophobicContact CB-CG2 4.45Å; V96-I102 HydrophobicContact CG1-CG2 4Å; V96-I102 HydrophobicContact CG2-CB 4.29Å; V96-I102 HydrophobicContact CG2-CG2 4.06Å; I102-F153 CarbonylContact O-C 3.47Å; I102-F153 WeakPolarHBondContact O-CA 3.24Å; I102-F153 WeakPolarHBondContact O-CB 3.3Å; I102-I154 HydrophobicContact CD1-CB 4.31Å; I102-I154 HydrophobicContact CD1-CD1 4.07Å; I102-I154 HydrophobicContact CG1-CB 3.8Å; I102-I154 HydrophobicContact CG1-CD1 4.31Å; I102-I154 HydrophobicContact CG1-CG1 4.48Å; I102-I154 PolarHBondContact N-O 3.01Å; I102-I154 PolarHBondContact O-N 2.66Å; I102-V179 HydrophobicContact CD1-CB 4.49Å; I102-V179 HydrophobicContact CD1-CG1 3.87Å; I102-V179 HydrophobicContact CG1-CG1 4.5Å; I102-I182 HydrophobicContact CB-CG2 4.16Å; I102-I182 HydrophobicContact CD1-CB 4.07Å; I102-I182 HydrophobicContact CD1-CD1 3.79Å; I102-I182 HydrophobicContact CD1-CG2 3.91Å; I102-I182 HydrophobicContact CG2-CB 4.45Å; I102-I182 HydrophobicContact CG2-CG2 3.83Å; I102-E183 HydrophobicContact CG2-CB 4.28Å
103	Q	98.9	Very high	98.5	Very high	25 Å²	25	45.1 Å²	45.1	12%	0.117	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.2	-173.9	172.8	179.4	-5.8	0	0	111.7	F93 H94 R95 M101 F152 F153	F93-Q103 CarbonylContact C-O 3.52Å; F93-Q103 WeakPolarHBondContact CA-O 3.49Å; H94-Q103 PolarHBondContact N-O 2.85Å; H94-Q103 VanDerWaalsContact N-O 3.09Å; R95-Q103 HydrophobicContact CB-CB 4.22Å; R95-Q103 PolarHBondContact N-O 3.5Å; R95-Q103 PolarHBondContact O-N 2.78Å; M101-Q103 HydrophobicContact CE-CB 4.23Å; M101-Q103 HydrophobicContact SD-CB 3.58Å; M101-Q103 VanDerWaalsContact SD-CB 3.58Å; Q103-F152 WeakPolarHBondContact CA-O 3.35Å; Q103-F153 HydrophobicContact CB-CB 4.03Å
104	G	98.9	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	-160.8	-178.9	0	0	0	0	0	112.3	K92 Q151 F152	K92-G104 WeakPolarHBondContact O-CA 3.02Å; G104-Q151 VanDerWaalsContact O-CA 3.26Å; G104-Q151 WeakPolarHBondContact O-CA 3.36Å; G104-F152 PolarHBondContact N-O 2.86Å; G104-F152 PolarHBondContact O-N 3.17Å
105	G	98.6	Very high	98.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.			trans	86.9	2.6	174.2	0	0	0	0	0	115.8	F107 S150	G105-F107 PolarHBondContact O-N 3Å; G105-S150 CarbonylContact O-C 3.55Å; G105-S150 WeakPolarHBondContact O-CB 3.46Å; G105-S150 PolarHBondContact O-OG 2.95Å
106	D	98.8	Very high	98.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-82.7	89.9	165.2	-178.6	-2	0	0	0	109.2	T108 R109 G110 D111 G112 T113 G114 G115 Q151	D106-T108 PolarHBondContact OD1-N 3.28Å; D106-T108 PolarHBondContact OD1-OG1 3.28Å; D106-R109 PolarHBondContact OD1-N 3.35Å; D106-G110 WeakPolarHBondContact O-CA 3.4Å; D106-G110 PolarHBondContact O-N 3.42Å; D106-G110 PolarHBondContact OD1-N 3.4Å; D106-G110 VanDerWaalsContact OD1-N 3.13Å; D106-G110 PolarHBondContact OD2-N 2.88Å; D106-D111 PolarHBondContact OD2-N 3.47Å; D106-G112 WeakPolarHBondContact OD2-CA 3.45Å; D106-G112 PolarHBondContact OD2-N 3.03Å; D106-T113 PolarHBondContact OD2-N 2.92Å; D106-G114 VanDerWaalsContact OD1-C 3.28Å; D106-G114 VanDerWaalsContact OD1-CA 3.27Å; D106-G114 WeakPolarHBondContact OD1-CA 3.47Å; D106-G114 PolarHBondContact OD2-N 3.48Å; D106-G115 PolarHBondContact OD1-N 3.33Å; D106-Q151 HydrophobicContact CB-CG 3.97Å
107	F	98.5	Very high	98.4	Very high	41 Å²	41	44.9 Å²	44.9	18%	0.18	23%	0.234	C	C	.	.			trans	-89.5	-5.4	179	58.9	-104.4	0	0	0	113.7	L79 F86 G87 Y88 G105 K116 S150	L79-F107 HydrophobicContact CD1-CE1 4.36Å; L79-F107 HydrophobicContact CD2-CE1 3.6Å; L79-F107 HydrophobicContact CD2-CZ 3.91Å; F86-F107 HydrophobicContact CB-CE2 4.03Å; F86-F107 HydrophobicContact CD2-CE1 4.45Å; F86-F107 AromaticContact CD2-CE2 3.81Å; F86-F107 HydrophobicContact CD2-CE2 3.81Å; F86-F107 AromaticContact CD2-CZ 3.56Å; F86-F107 HydrophobicContact CD2-CZ 3.56Å; F86-F107 HydrophobicContact CE2-CZ 4.21Å; F86-F107 HydrophobicContact CG-CE2 4.27Å; F86-F107 HydrophobicContact CG-CZ 4.45Å; G87-F107 WeakPolarHBondContact O-CB 3.15Å; G87-F107 WeakPolarHBondContact O-CG 3.38Å; Y88-F107 HydrophobicContact CD1-CD1 4.23Å; Y88-F107 HydrophobicContact CE1-CD1 4.38Å; G105-F107 PolarHBondContact O-N 3Å; F107-K116 HydrophobicContact CE2-CG 4.11Å; F107-K116 HydrophobicContact CZ-CG 3.76Å; F107-K116 WeakPolarHBondContact CZ-O 3.3Å; F107-S150 VanDerWaalsContact CE1-OG 3.31Å; F107-S150 WeakPolarHBondContact CE1-OG 3.38Å
108	T	98.3	Very high	98.4	Very high	75 Å²	75	45.1 Å²	45.1	46%	0.46	24%	0.235	S	C	.	.	S	Bend	trans	-97.2	-33.6	-179.1	64.6	0	0	0	0	112.6	D106 G114 G115	D106-T108 PolarHBondContact OD1-N 3.28Å; D106-T108 PolarHBondContact OD1-OG1 3.28Å; T108-G114 VanDerWaalsContact OG1-CA 3.29Å; T108-G114 WeakPolarHBondContact OG1-CA 3.46Å; T108-G115 PolarHBondContact OG1-N 3.08Å
109	R	97.9	Very high	98.4	Very high	167 Å²	167	43.5 Å²	43.5	63%	0.63	23%	0.226	S	C	*	.	S	Bend	trans	-128.1	-28.6	-179.3	-63.6	-176.3	175.9	-175.2	0.6	113	D106 D111 T113	D106-R109 PolarHBondContact OD1-N 3.35Å; R109-D111 VanDerWaalsContact C-N 3.26Å; R109-D111 WeakPolarHBondContact CB-OD1 3.41Å; R109-D111 PolarHBondContact O-N 2.99Å; R109-T113 WeakPolarHBondContact CD-OG1 3.03Å; R109-T113 PolarHBondContact NH1-OG1 2.83Å; R109-T113 VanDerWaalsContact NH1-OG1 3.08Å
110	G	98.1	Very high	98.3	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	22%	0.219	C	C	.	.	S	Bend	trans	66.6	27.2	177.2	0	0	0	0	0	114	K92 H94 D106	K92-G110 WeakPolarHBondContact CE-O 3.37Å; K92-G110 PolarHBondContact NZ-O 3.42Å; H94-G110 WeakPolarHBondContact CB-O 3.29Å; D106-G110 WeakPolarHBondContact O-CA 3.4Å; D106-G110 PolarHBondContact O-N 3.42Å; D106-G110 PolarHBondContact OD1-N 3.4Å; D106-G110 VanDerWaalsContact OD1-N 3.13Å; D106-G110 PolarHBondContact OD2-N 2.88Å
111	D	97.9	Very high	98.2	Very high	95 Å²	95	44.5 Å²	44.5	51%	0.508	24%	0.242	S	C	.	.	S	Bend	trans	-132.1	0.7	-178.8	65.7	9.1	0	0	0	113.4	D106 R109 T113	D106-D111 PolarHBondContact OD2-N 3.47Å; R109-D111 VanDerWaalsContact C-N 3.26Å; R109-D111 WeakPolarHBondContact CB-OD1 3.41Å; R109-D111 PolarHBondContact O-N 2.99Å; D111-T113 WeakPolarHBondContact OD1-CB 3.45Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.32Å; D111-T113 PolarHBondContact OD1-N 3.41Å; D111-T113 PolarHBondContact OD1-OG1 2.93Å
112	G	97.8	Very high	98.1	Very high	26 Å²	26	52 Å²	52	27%	0.268	27%	0.27	S	S	.	.	S	Bend	trans	94	-5.5	-179.1	0	0	0	0	0	113.6	H94 D106 Q151	H94-G112 VanDerWaalsContact NE2-CA 3.29Å; H94-G112 WeakPolarHBondContact NE2-CA 3.31Å; D106-G112 WeakPolarHBondContact OD2-CA 3.45Å; D106-G112 PolarHBondContact OD2-N 3.03Å; G112-Q151 VanDerWaalsContact C-NE2 3.29Å; G112-Q151 PolarHBondContact O-NE2 3.29Å
113	T	97.6	Very high	98.1	Very high	87 Å²	87	52.6 Å²	52.6	53%	0.534	27%	0.273	S	S	.	.	S	Bend	trans	-93.8	-7.1	178.2	72.6	0	0	0	0	113.4	D106 R109 D111	D106-T113 PolarHBondContact OD2-N 2.92Å; R109-T113 WeakPolarHBondContact CD-OG1 3.03Å; R109-T113 PolarHBondContact NH1-OG1 2.83Å; R109-T113 VanDerWaalsContact NH1-OG1 3.08Å; D111-T113 WeakPolarHBondContact OD1-CB 3.45Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.32Å; D111-T113 PolarHBondContact OD1-N 3.41Å; D111-T113 PolarHBondContact OD1-OG1 2.93Å
114	G	97.7	Very high	98.1	Very high	15 Å²	15	55.5 Å²	55.5	16%	0.155	29%	0.294	C	S	.	.			trans	-112.8	-154.3	-177.9	0	0	0	0	0	114.6	D106 T108 Q151	D106-G114 VanDerWaalsContact OD1-C 3.28Å; D106-G114 VanDerWaalsContact OD1-CA 3.27Å; D106-G114 WeakPolarHBondContact OD1-CA 3.47Å; D106-G114 PolarHBondContact OD2-N 3.48Å; T108-G114 VanDerWaalsContact OG1-CA 3.29Å; T108-G114 WeakPolarHBondContact OG1-CA 3.46Å; G114-Q151 PolarHBondContact O-NE2 3.18Å
115	G	97.9	Very high	98.1	Very high	18 Å²	18	56.5 Å²	56.5	19%	0.186	30%	0.299	C	S	.	.			trans	87.6	156.7	-171.7	0	0	0	0	0	113.7	D106 T108 S150	D106-G115 PolarHBondContact OD1-N 3.33Å; T108-G115 PolarHBondContact OG1-N 3.08Å; G115-S150 WeakPolarHBondContact CA-OG 3.31Å
116	K	98.5	Very high	98.1	Very high	74 Å²	74	58.7 Å²	58.7	32%	0.322	31%	0.309	S	S	.	.			trans	-156.2	151.5	173.3	62	177.5	-178.4	178.4	0	110.1	F86 F107 S150	F86-K116 HydrophobicContact CE2-CG 4.3Å; F107-K116 HydrophobicContact CE2-CG 4.11Å; F107-K116 HydrophobicContact CZ-CG 3.76Å; F107-K116 WeakPolarHBondContact CZ-O 3.3Å; K116-S150 PolarHBondContact N-OG 2.94Å; K116-S150 WeakPolarHBondContact O-CB 3.5Å
117	S	98.6	Very high	98.1	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.014	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-83.7	172.5	174.6	78.7	0	0	0	0	111.7	N75 Y119 G120 F123	N75-S117 VanDerWaalsContact OD1-CA 3.23Å; N75-S117 WeakPolarHBondContact OD1-CA 3.27Å; N75-S117 VanDerWaalsContact OD1-CB 3.25Å; N75-S117 WeakPolarHBondContact OD1-CB 3.19Å; S117-Y119 PolarHBondContact O-N 3.36Å; S117-Y119 PolarHBondContact OG-N 2.93Å; S117-G120 CarbonylContact C-O 3.59Å; S117-G120 WeakPolarHBondContact CA-O 3.44Å; S117-G120 WeakPolarHBondContact CB-O 3.36Å; S117-G120 PolarHBondContact N-O 3.49Å; S117-G120 PolarHBondContact O-N 3.22Å; S117-G120 PolarHBondContact OG-N 3.34Å; S117-G120 PolarHBondContact OG-O 2.96Å; S117-F123 VanDerWaalsContact CB-CD1 3.48Å
118	I	98.7	Very high	98.1	Very high	39 Å²	39	62 Å²	62	20%	0.2	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.4	170.5	70.1	167.6	0	0	0	112.6	E74 N75 T78 L79	E74-I118 HydrophobicContact CG-CD1 3.98Å; N75-I118 HydrophobicContact CB-CD1 4.48Å; N75-I118 HydrophobicContact CB-CG1 4.16Å; N75-I118 PolarHBondContact OD1-N 3.11Å; T78-I118 HydrophobicContact CG2-CB 4.31Å; T78-I118 HydrophobicContact CG2-CD1 4.38Å; T78-I118 HydrophobicContact CG2-CG2 3.39Å; L79-I118 HydrophobicContact CD2-CG2 4.32Å; L79-I118 HydrophobicContact CG-CG2 4.21Å
119	Y	98.4	Very high	98.1	Very high	97 Å²	97	65.6 Å²	65.6	38%	0.38	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	2.6	-178.5	-47.3	-62.1	0	0	0	113	K71 E74 N75 S117 F123	K71-Y119 WeakPolarHBondContact CA-OH 3.43Å; K71-Y119 HydrophobicContact CB-CE2 4.35Å; K71-Y119 PolarHBondContact O-OH 2.81Å; E74-Y119 PolarHBondContact OE2-OH 3.28Å; N75-Y119 HydrophobicContact CB-CE2 3.86Å; S117-Y119 PolarHBondContact O-N 3.36Å; S117-Y119 PolarHBondContact OG-N 2.93Å; Y119-F123 HydrophobicContact CD2-CB 4.05Å; Y119-F123 HydrophobicContact CD2-CD1 4.15Å; Y119-F123 HydrophobicContact CD2-CD2 4.48Å; Y119-F123 AromaticContact CD2-CG 3.99Å; Y119-F123 HydrophobicContact CD2-CG 3.99Å
120	G	97.7	Very high	98.1	Very high	35 Å²	35	58.1 Å²	58.1	36%	0.361	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	121.3	-167.8	-171.8	0	0	0	0	0	111.8	S117 R122	S117-G120 CarbonylContact C-O 3.59Å; S117-G120 WeakPolarHBondContact CA-O 3.44Å; S117-G120 WeakPolarHBondContact CB-O 3.36Å; S117-G120 PolarHBondContact N-O 3.49Å; S117-G120 PolarHBondContact O-N 3.22Å; S117-G120 PolarHBondContact OG-N 3.34Å; S117-G120 PolarHBondContact OG-O 2.96Å; G120-R122 VanDerWaalsContact C-N 3.26Å; G120-R122 PolarHBondContact O-N 3.15Å
121	D	96.1	Very high	98.1	Very high	127 Å²	127	63 Å²	63	68%	0.679	33%	0.326	S	S	*	.	S	Bend	trans	-61.7	-35.3	-176.1	-66.3	-18.9	0	0	0	112.5
122	R	96.7	Very high	98.2	Very high	163 Å²	163	58.5 Å²	58.5	62%	0.615	30%	0.302	S	S	*	.			trans	-142	153.4	-179	-67.1	174.6	179	147.1	3.8	112.3	G120 N148	G120-R122 VanDerWaalsContact C-N 3.26Å; G120-R122 PolarHBondContact O-N 3.15Å; R122-N148 CarbonylContact C-O 3.56Å; R122-N148 WeakPolarHBondContact CA-O 3.45Å
123	F	98.7	Very high	98.2	Very high	12 Å²	12	59.2 Å²	59.2	5%	0.053	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-136.6	154.5	168	70.6	-82.6	0	0	0	112.7	T72 S117 Y119 M140 D146 N148 G149	T72-F123 HydrophobicContact CG2-CZ 4.35Å; S117-F123 VanDerWaalsContact CB-CD1 3.48Å; Y119-F123 HydrophobicContact CD2-CB 4.05Å; Y119-F123 HydrophobicContact CD2-CD1 4.15Å; Y119-F123 HydrophobicContact CD2-CD2 4.48Å; Y119-F123 AromaticContact CD2-CG 3.99Å; Y119-F123 HydrophobicContact CD2-CG 3.99Å; F123-M140 HydrophobicContact CE1-CE 4.06Å; F123-M140 HydrophobicContact CZ-CE 4Å; F123-D146 CarbonylContact O-C 3.42Å; F123-N148 HydrophobicContact CD1-CB 3.77Å; F123-N148 WeakPolarHBondContact CD1-O 3.16Å; F123-N148 HydrophobicContact CD2-CB 4.1Å; F123-N148 HydrophobicContact CE1-CB 3.43Å; F123-N148 VanDerWaalsContact CE1-CB 3.43Å; F123-N148 HydrophobicContact CE2-CB 3.79Å; F123-N148 HydrophobicContact CG-CB 4.1Å; F123-N148 HydrophobicContact CZ-CB 3.45Å; F123-N148 VanDerWaalsContact CZ-CB 3.45Å; F123-N148 PolarHBondContact N-O 2.83Å; F123-N148 WeakPolarHBondContact O-CB 3.39Å; F123-N148 PolarHBondContact O-N 2.83Å; F123-N148 PolarHBondContact O-ND2 2.89Å; F123-G149 WeakPolarHBondContact CE1-O 3.37Å
124	P	98.8	Very high	98.2	Very high	86 Å²	86	55.1 Å²	55.1	56%	0.558	27%	0.273	S	S	*	.			trans	-62.3	159.4	-177.1	-24.9	35.8	0	0	0	114.8	E126 D146 N148	P124-E126 PolarHBondContact O-N 3.26Å; P124-E126 VanDerWaalsContact O-N 3.16Å; P124-D146 WeakPolarHBondContact CA-OD1 3.49Å; P124-D146 HydrophobicContact CB-CB 4.3Å; P124-D146 WeakPolarHBondContact CB-OD1 3.34Å; P124-N148 PolarHBondContact O-ND2 2.84Å
125	D	98.8	Very high	98.3	Very high	20 Å²	20	56.5 Å²	56.5	11%	0.107	28%	0.279	C	S	.	.			trans	-65.5	111.4	170.9	-64	-48.1	0	0	0	109.7	F128 D146 N148 V167	D125-F128 HydrophobicContact CB-CE1 4.19Å; D125-F128 HydrophobicContact CB-CE2 4.05Å; D125-F128 HydrophobicContact CB-CZ 3.52Å; D125-D146 PolarHBondContact N-OD1 3.32Å; D125-D146 PolarHBondContact OD2-N 2.93Å; D125-N148 WeakPolarHBondContact CA-ND2 3.39Å; D125-N148 PolarHBondContact N-ND2 2.95Å; D125-N148 PolarHBondContact OD1-ND2 2.99Å; D125-V167 HydrophobicContact CB-CG2 3.98Å
126	E	98.7	Very high	98.3	Very high	47 Å²	47	57.6 Å²	57.6	22%	0.22	28%	0.278	C	S	.	.			trans	-66.3	-45.3	-171	-176.3	171	-165.9	0	0	113	V69 P70 K71 T72 P124	V69-E126 VanDerWaalsContact C-CD 3.48Å; V69-E126 VanDerWaalsContact CA-CD 3.46Å; V69-E126 VanDerWaalsContact CA-OE2 3.24Å; V69-E126 WeakPolarHBondContact CA-OE2 3.15Å; V69-E126 VanDerWaalsContact CB-OE2 3.3Å; V69-E126 WeakPolarHBondContact CB-OE2 3.34Å; V69-E126 HydrophobicContact CG1-CB 4.39Å; V69-E126 HydrophobicContact CG1-CG 4.33Å; P70-E126 WeakPolarHBondContact CD-OE1 3.47Å; P70-E126 VanDerWaalsContact CG-OE1 3.3Å; P70-E126 WeakPolarHBondContact CG-OE1 3.43Å; P70-E126 VanDerWaalsContact N-OE1 3.1Å; K71-E126 PolarHBondContact N-OE1 2.88Å; K71-E126 PolarHBondContact N-OE2 2.89Å; T72-E126 WeakPolarHBondContact CB-OE2 3.25Å; T72-E126 PolarHBondContact N-OE2 2.83Å; T72-E126 PolarHBondContact OG1-OE2 2.94Å; P124-E126 PolarHBondContact O-N 3.26Å; P124-E126 VanDerWaalsContact O-N 3.16Å
127	N	98.6	Very high	98.3	Very high	33 Å²	33	54 Å²	54	18%	0.176	26%	0.262	C	S	.	.			trans	-174.2	169.6	165	59.6	85.4	0	0	0	110.6	T68 V69 K129	T68-N127 PolarHBondContact O-ND2 3.43Å; V69-N127 WeakPolarHBondContact CG1-ND2 3.21Å; N127-K129 HydrophobicContact CB-CG 4.3Å; N127-K129 VanDerWaalsContact OD1-CB 3.31Å; N127-K129 WeakPolarHBondContact OD1-CB 3.06Å; N127-K129 VanDerWaalsContact OD1-CG 3.28Å; N127-K129 WeakPolarHBondContact OD1-CG 2.99Å; N127-K129 PolarHBondContact OD1-N 2.68Å; N127-K129 VanDerWaalsContact OD1-N 3.17Å
128	F	98.5	Very high	98.3	Very high	78 Å²	78	54 Å²	54	34%	0.342	26%	0.262	S	S	.	.			trans	-116.8	37.7	175.6	-54.6	-70	0	0	0	112.5	D125 L130 G164 V167	D125-F128 HydrophobicContact CB-CE1 4.19Å; D125-F128 HydrophobicContact CB-CE2 4.05Å; D125-F128 HydrophobicContact CB-CZ 3.52Å; F128-L130 PolarHBondContact O-N 2.88Å; F128-G164 WeakPolarHBondContact CE2-O 3.44Å; F128-G164 WeakPolarHBondContact CZ-O 3.41Å; F128-V167 HydrophobicContact CE1-CG2 4.06Å
129	K	98.2	Very high	98.3	Very high	151 Å²	151	52.1 Å²	52.1	66%	0.657	25%	0.252	S	S	*	.			trans	-67.1	-25	178.8	-69.3	174.3	-178.6	173.5	0	112.7	T68 N127	T68-K129 HydrophobicContact CG2-CB 4.14Å; T68-K129 HydrophobicContact CG2-CD 4.26Å; N127-K129 HydrophobicContact CB-CG 4.3Å; N127-K129 VanDerWaalsContact OD1-CB 3.31Å; N127-K129 WeakPolarHBondContact OD1-CB 3.06Å; N127-K129 VanDerWaalsContact OD1-CG 3.28Å; N127-K129 WeakPolarHBondContact OD1-CG 2.99Å; N127-K129 PolarHBondContact OD1-N 2.68Å; N127-K129 VanDerWaalsContact OD1-N 3.17Å
130	L	98.4	Very high	98.3	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.052	23%	0.234	C	C	.	.	S	Bend	trans	-106.4	153.5	178.1	-60.6	178	0	0	0	110.3	P40 F65 T68 F128 Y133 V168	P40-L130 HydrophobicContact CB-CD1 4Å; P40-L130 HydrophobicContact CB-CD2 3.97Å; P40-L130 HydrophobicContact CG-CD1 4.19Å; P40-L130 HydrophobicContact CG-CD2 3.96Å; F65-L130 HydrophobicContact CB-CD1 4.2Å; F65-L130 HydrophobicContact CD2-CD1 3.22Å; F65-L130 HydrophobicContact CE2-CD1 3.8Å; F65-L130 HydrophobicContact CG-CD1 3.96Å; T68-L130 HydrophobicContact CG2-CD1 3.92Å; T68-L130 HydrophobicContact CG2-CD2 4.48Å; T68-L130 HydrophobicContact CG2-CG 3.91Å; F128-L130 PolarHBondContact O-N 2.88Å; L130-Y133 HydrophobicContact CB-CE2 4.34Å; L130-Y133 HydrophobicContact CD2-CE2 4.25Å; L130-V168 HydrophobicContact CB-CB 3.79Å; L130-V168 HydrophobicContact CB-CG1 3.85Å; L130-V168 HydrophobicContact CD1-CG1 4.42Å
131	K	98.6	Very high	98.4	Very high	108 Å²	108	46.3 Å²	46.3	47%	0.47	22%	0.221	S	C	.	.			trans	-124.1	169.3	-177.3	-67.3	-176.8	172.4	-165.9	0	109.7	Y133 D163	K131-Y133 HydrophobicContact CB-CD1 4.08Å; K131-Y133 HydrophobicContact CB-CD2 4.34Å; K131-Y133 HydrophobicContact CB-CE1 3.76Å; K131-Y133 HydrophobicContact CB-CE2 4.08Å; K131-Y133 HydrophobicContact CB-CG 4.37Å; K131-Y133 HydrophobicContact CD-CE1 4.39Å; K131-Y133 HydrophobicContact CG-CE1 4.36Å; K131-Y133 VanDerWaalsContact N-CE2 3.29Å; K131-Y133 WeakPolarHBondContact O-CD2 3.35Å; K131-Y133 WeakPolarHBondContact O-CE2 3.23Å; K131-Y133 PolarHBondContact O-N 3.35Å; K131-D163 WeakPolarHBondContact CA-OD1 3.48Å; K131-D163 WeakPolarHBondContact CB-OD1 3.28Å; K131-D163 WeakPolarHBondContact CB-OD2 3.48Å; K131-D163 WeakPolarHBondContact CD-OD2 3.14Å; K131-D163 HydrophobicContact CG-CB 4.29Å; K131-D163 WeakPolarHBondContact CG-OD2 3.31Å
132	H	98.6	Very high	98.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.198	C	C	.	.			trans	-85.4	71.7	175.8	-53.7	80.1	0	0	0	108.9	G134 S139 F153 T155 Q158 T159 L162 D163 V168	H132-G134 PolarHBondContact O-N 3.39Å; H132-S139 WeakPolarHBondContact NE2-CB 3.35Å; H132-S139 PolarHBondContact NE2-OG 3.09Å; H132-F153 AromaticContact CD2-CE2 3.86Å; H132-F153 AromaticContact CD2-CZ 3.98Å; H132-F153 AromaticContact NE2-CE2 3.88Å; H132-F153 AromaticContact NE2-CZ 3.5Å; H132-F153 WeakPolarHBondContact NE2-CZ 3.5Å; H132-T155 HydrophobicContact CB-CG2 4.5Å; H132-Q158 VanDerWaalsContact O-CG 3.23Å; H132-Q158 WeakPolarHBondContact O-CG 3.24Å; H132-T159 WeakPolarHBondContact CB-OG1 3.25Å; H132-T159 VanDerWaalsContact CG-OG1 3.32Å; H132-L162 PolarHBondContact CE1-O 2.58Å; H132-D163 IonicContact CE1-OD1 3.64Å; H132-D163 IonicContact CG-OD1 3.04Å; H132-D163 PolarHBondContact N-OD1 3.03Å; H132-D163 IonicContact ND1-OD1 2.7Å; H132-D163 PolarHBondContact ND1-OD1 2.78Å; H132-V168 VanDerWaalsContact CE1-CG2 3.47Å; H132-V168 WeakPolarHBondContact CE1-CG2 3.42Å; H132-V168 WeakPolarHBondContact NE2-CG2 3.48Å
133	Y	98.3	Very high	98.5	Very high	40 Å²	40	38.5 Å²	38.5	16%	0.157	20%	0.204	C	C	.	.			trans	-64.1	-22.7	-166.4	-59	-82.3	0	0	0	114.3	L130 K131 W137 Q158 K215	L130-Y133 HydrophobicContact CB-CE2 4.34Å; L130-Y133 HydrophobicContact CD2-CE2 4.25Å; K131-Y133 HydrophobicContact CB-CD1 4.08Å; K131-Y133 HydrophobicContact CB-CD2 4.34Å; K131-Y133 HydrophobicContact CB-CE1 3.76Å; K131-Y133 HydrophobicContact CB-CE2 4.08Å; K131-Y133 HydrophobicContact CB-CG 4.37Å; K131-Y133 HydrophobicContact CD-CE1 4.39Å; K131-Y133 HydrophobicContact CG-CE1 4.36Å; K131-Y133 VanDerWaalsContact N-CE2 3.29Å; K131-Y133 WeakPolarHBondContact O-CD2 3.35Å; K131-Y133 WeakPolarHBondContact O-CE2 3.23Å; K131-Y133 PolarHBondContact O-N 3.35Å; Y133-W137 AromaticContact CD2-CD2 3.98Å; Y133-W137 HydrophobicContact CD2-CD2 3.98Å; Y133-W137 AromaticContact CD2-CE2 3.64Å; Y133-W137 AromaticContact CD2-CE3 3.96Å; Y133-W137 HydrophobicContact CD2-CE3 3.96Å; Y133-W137 AromaticContact CD2-CH2 3.25Å; Y133-W137 HydrophobicContact CD2-CH2 3.25Å; Y133-W137 AromaticContact CD2-CZ2 3.29Å; Y133-W137 HydrophobicContact CD2-CZ2 3.29Å; Y133-W137 AromaticContact CD2-CZ3 3.59Å; Y133-W137 HydrophobicContact CD2-CZ3 3.59Å; Y133-W137 HydrophobicContact CE2-CE3 4.47Å; Y133-W137 AromaticContact CE2-CH2 3.65Å; Y133-W137 HydrophobicContact CE2-CH2 3.65Å; Y133-W137 HydrophobicContact CE2-CZ2 4.16Å; Y133-W137 AromaticContact CE2-CZ3 3.82Å; Y133-W137 HydrophobicContact CE2-CZ3 3.82Å; Y133-W137 HydrophobicContact CG-CH2 4.28Å; Y133-W137 AromaticContact CG-CZ2 3.93Å; Y133-W137 HydrophobicContact CG-CZ2 3.93Å; Y133-Q158 WeakPolarHBondContact O-CG 3.21Å; Y133-Q158 PolarHBondContact O-NE2 2.85Å; Y133-K215 HydrophobicContact CD1-CB 3.84Å; Y133-K215 HydrophobicContact CD2-CB 4.24Å; Y133-K215 HydrophobicContact CE1-CB 3.84Å; Y133-K215 HydrophobicContact CE1-CD 3.97Å; Y133-K215 HydrophobicContact CE1-CG 4.17Å; Y133-K215 HydrophobicContact CE2-CB 4.23Å; Y133-K215 HydrophobicContact CE2-CD 4.44Å; Y133-K215 HydrophobicContact CE2-CG 4.09Å; Y133-K215 HydrophobicContact CG-CB 4.04Å
134	G	98.2	Very high	98.4	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-178.8	-156.4	179.7	0	0	0	0	0	112.2	H132 W137 T155 I157 E216	H132-G134 PolarHBondContact O-N 3.39Å; G134-W137 VanDerWaalsContact O-CD1 3.26Å; G134-T155 PolarHBondContact O-OG1 3.16Å; G134-I157 CarbonylContact C-O 3.58Å; G134-I157 VanDerWaalsContact O-O 3.13Å; G134-E216 WeakPolarHBondContact CA-OXT 3.46Å
135	P	98.5	Very high	98.3	Very high	44 Å²	44	43.6 Å²	43.6	29%	0.286	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	154.7	175.8	32.6	-37.1	0	0	0	111.5	W137 T156	P135-W137 VanDerWaalsContact C-N 3.3Å; P135-W137 PolarHBondContact O-N 3.3Å; P135-T156 WeakPolarHBondContact CB-O 3.22Å
136	Y	98.7	Very high	98.3	Very high	40 Å²	40	45.6 Å²	45.6	16%	0.157	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	21.7	172.9	-36.9	-63.5	0	0	0	115.8	T155 K171 I172 T176 V179 K180	Y136-T155 VanDerWaalsContact CA-O 3.29Å; Y136-T155 WeakPolarHBondContact CA-O 3.38Å; Y136-T155 PolarHBondContact N-O 2.69Å; Y136-T155 PolarHBondContact N-OG1 3.3Å; Y136-K171 CarbonylContact O-C 3.46Å; Y136-K171 VanDerWaalsContact O-CA 3.32Å; Y136-K171 WeakPolarHBondContact O-CA 3.49Å; Y136-K171 VanDerWaalsContact O-CG 3.27Å; Y136-K171 WeakPolarHBondContact O-CG 3.44Å; Y136-I172 PolarHBondContact O-N 3.27Å; Y136-T176 HydrophobicContact CD1-CG2 4.19Å; Y136-T176 HydrophobicContact CD2-CG2 3.87Å; Y136-T176 HydrophobicContact CE1-CG2 4.28Å; Y136-T176 HydrophobicContact CE2-CG2 3.98Å; Y136-T176 HydrophobicContact CG-CG2 4Å; Y136-V179 HydrophobicContact CD1-CB 4.33Å; Y136-V179 HydrophobicContact CD1-CG1 3.96Å; Y136-V179 HydrophobicContact CE1-CB 4.36Å; Y136-V179 HydrophobicContact CE1-CG1 4.08Å; Y136-K180 WeakPolarHBondContact OH-CE 3.47Å
137	W	98.8	Very high	98.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	138	168.4	-72.7	75.8	0	0	0	109.8	P40 F65 Y133 G134 P135 I154 T155 V168 K171 E216	P40-W137 HydrophobicContact CG-CH2 4.13Å; P40-W137 HydrophobicContact CG-CZ3 4.2Å; F65-W137 AromaticContact CE2-CE3 3.94Å; F65-W137 HydrophobicContact CE2-CE3 3.94Å; F65-W137 AromaticContact CE2-CZ3 3.53Å; F65-W137 HydrophobicContact CE2-CZ3 3.53Å; F65-W137 HydrophobicContact CZ-CE3 4.27Å; F65-W137 HydrophobicContact CZ-CH2 4.36Å; F65-W137 AromaticContact CZ-CZ3 3.73Å; F65-W137 HydrophobicContact CZ-CZ3 3.73Å; Y133-W137 AromaticContact CD2-CD2 3.98Å; Y133-W137 HydrophobicContact CD2-CD2 3.98Å; Y133-W137 AromaticContact CD2-CE2 3.64Å; Y133-W137 AromaticContact CD2-CE3 3.96Å; Y133-W137 HydrophobicContact CD2-CE3 3.96Å; Y133-W137 AromaticContact CD2-CH2 3.25Å; Y133-W137 HydrophobicContact CD2-CH2 3.25Å; Y133-W137 AromaticContact CD2-CZ2 3.29Å; Y133-W137 HydrophobicContact CD2-CZ2 3.29Å; Y133-W137 AromaticContact CD2-CZ3 3.59Å; Y133-W137 HydrophobicContact CD2-CZ3 3.59Å; Y133-W137 HydrophobicContact CE2-CE3 4.47Å; Y133-W137 AromaticContact CE2-CH2 3.65Å; Y133-W137 HydrophobicContact CE2-CH2 3.65Å; Y133-W137 HydrophobicContact CE2-CZ2 4.16Å; Y133-W137 AromaticContact CE2-CZ3 3.82Å; Y133-W137 HydrophobicContact CE2-CZ3 3.82Å; Y133-W137 HydrophobicContact CG-CH2 4.28Å; Y133-W137 AromaticContact CG-CZ2 3.93Å; Y133-W137 HydrophobicContact CG-CZ2 3.93Å; G134-W137 VanDerWaalsContact O-CD1 3.26Å; P135-W137 VanDerWaalsContact C-N 3.3Å; P135-W137 PolarHBondContact O-N 3.3Å; W137-I154 WeakPolarHBondContact O-CA 3.33Å; W137-T155 PolarHBondContact N-OG1 2.94Å; W137-T155 PolarHBondContact O-N 3.37Å; W137-T155 PolarHBondContact O-OG1 3.08Å; W137-V168 HydrophobicContact CD2-CG1 4.49Å; W137-V168 HydrophobicContact CE3-CG1 3.5Å; W137-V168 VanDerWaalsContact CE3-CG1 3.5Å; W137-V168 HydrophobicContact CZ3-CG1 4.09Å; W137-K171 HydrophobicContact CD2-CD 4.39Å; W137-K171 HydrophobicContact CD2-CG 4.37Å; W137-K171 HydrophobicContact CG-CG 4.46Å; W137-K171 HydrophobicContact CZ2-CD 4.03Å; W137-E216 PolarHBondContact NE1-O 2.65Å
138	L	98.9	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.9	179	177.7	69.8	0	0	0	109.8	I62 L64 F76 F152 I154 F169 G170	I62-L138 HydrophobicContact CD1-CD2 4.27Å; I62-L138 HydrophobicContact CG2-CB 4.48Å; I62-L138 HydrophobicContact CG2-CD2 3.47Å; I62-L138 VanDerWaalsContact CG2-CD2 3.47Å; L64-L138 HydrophobicContact CD2-CD2 4.01Å; F76-L138 HydrophobicContact CE1-CD2 4.01Å; F76-L138 HydrophobicContact CE2-CD2 4.12Å; F76-L138 HydrophobicContact CZ-CD2 3.75Å; L138-F152 HydrophobicContact CD1-CB 4.03Å; L138-F152 HydrophobicContact CD1-CD2 3.41Å; L138-F152 VanDerWaalsContact CD1-CD2 3.41Å; L138-F152 HydrophobicContact CD1-CE2 4.17Å; L138-F152 HydrophobicContact CD1-CG 4Å; L138-I154 HydrophobicContact CD1-CG1 3.83Å; L138-F169 HydrophobicContact CD1-CE1 4.48Å; L138-F169 HydrophobicContact CD1-CZ 4.02Å; L138-F169 HydrophobicContact CD2-CD2 3.95Å; L138-F169 HydrophobicContact CD2-CE1 4.29Å; L138-F169 HydrophobicContact CD2-CE2 3.22Å; L138-F169 HydrophobicContact CD2-CZ 3.44Å; L138-F169 VanDerWaalsContact CD2-CZ 3.44Å; L138-F169 HydrophobicContact CG-CD1 4.44Å; L138-F169 HydrophobicContact CG-CD2 4.34Å; L138-F169 HydrophobicContact CG-CE1 3.84Å; L138-F169 HydrophobicContact CG-CE2 3.71Å; L138-F169 HydrophobicContact CG-CZ 3.43Å; L138-F169 VanDerWaalsContact CG-CZ 3.43Å; L138-F169 PolarHBondContact O-N 3.39Å; L138-G170 PolarHBondContact N-O 3.14Å; L138-G170 PolarHBondContact O-N 2.96Å
139	S	98.9	Very high	98.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.1	-173.5	-167.9	0	0	0	0	112.1	H132 F152 F153 H166 V167 F169	H132-S139 WeakPolarHBondContact NE2-CB 3.35Å; H132-S139 PolarHBondContact NE2-OG 3.09Å; S139-F152 CarbonylContact O-C 3.39Å; S139-F152 VanDerWaalsContact O-CA 3.3Å; S139-F152 WeakPolarHBondContact O-CA 3.16Å; S139-F153 PolarHBondContact N-O 2.9Å; S139-F153 PolarHBondContact O-N 3.23Å; S139-H166 WeakPolarHBondContact OG-CB 3.24Å; S139-V167 WeakPolarHBondContact CA-O 3.14Å; S139-V167 PolarHBondContact OG-O 3.5Å; S139-F169 VanDerWaalsContact C-CE1 3.45Å
140	M	98.9	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131	-179.5	-70.6	-57.1	-64.1	0	0	110.9	T72 F123 N148 G149 Q151 F153 H166 V167 F169	T72-M140 HydrophobicContact CG2-CG 3.64Å; T72-M140 HydrophobicContact CG2-SD 3.85Å; F123-M140 HydrophobicContact CE1-CE 4.06Å; F123-M140 HydrophobicContact CZ-CE 4Å; M140-N148 VanDerWaalsContact CB-OD1 3.24Å; M140-N148 WeakPolarHBondContact CB-OD1 3.47Å; M140-N148 HydrophobicContact CE-CB 3.97Å; M140-G149 WeakPolarHBondContact CE-O 3.08Å; M140-Q151 WeakPolarHBondContact CE-O 3.26Å; M140-F153 WeakPolarHBondContact O-CE1 3.36Å; M140-H166 WeakPolarHBondContact O-CB 3.36Å; M140-H166 PolarHBondContact O-ND1 3.22Å; M140-V167 HydrophobicContact CB-CB 4.4Å; M140-V167 HydrophobicContact CG-CB 4.24Å; M140-V167 PolarHBondContact N-O 3.06Å; M140-F169 HydrophobicContact CG-CD1 3.84Å; M140-F169 HydrophobicContact CG-CE1 3.74Å; M140-F169 HydrophobicContact SD-CD1 4.03Å; M140-F169 HydrophobicContact SD-CE1 3.42Å; M140-F169 WeakPolarHBondContact SD-CE1 3.34Å; M140-F169 HydrophobicContact SD-CZ 3.92Å
141	A	98.7	Very high	98.3	Very high	11 Å²	11	33.2 Å²	33.2	9%	0.091	19%	0.187	C	C	.	.			trans	-78.5	142.9	163.2	0	0	0	0	0	109.3	Q151 F153	A141-Q151 HydrophobicContact CB-CB 3.74Å; A141-Q151 PolarHBondContact N-O 3.13Å; A141-F153 HydrophobicContact CB-CD1 4.34Å
142	N	97.9	Very high	98.4	Very high	37 Å²	37	28.1 Å²	28.1	20%	0.198	17%	0.165	C	C	.	.			trans	-148.8	165.8	178.4	69.3	37.3	0	0	0	110.4	G144 T147 K165 H166	N142-G144 PolarHBondContact OD1-N 3.37Å; N142-T147 WeakPolarHBondContact CB-OG1 3.37Å; N142-K165 PolarHBondContact ND2-O 3.32Å; N142-H166 PolarHBondContact OD1-CE1 3.11Å; N142-H166 VanDerWaalsContact OD1-CE1 3.3Å
143	A	96.3	Very high	98.4	Very high	89 Å²	89	28.5 Å²	28.5	74%	0.736	17%	0.166	S	C	*	.	S	Bend	trans	-110.6	37.2	176.2	0	0	0	0	0	110.9	T147	A143-T147 PolarHBondContact N-OG1 3.14Å
144	G	96.4	Very high	98.4	Very high	37 Å²	37	26.6 Å²	26.6	38%	0.381	16%	0.159	S	C	.	.	S	Bend	trans	115.6	177.8	-172	0	0	0	0	0	112.9	N142 D146 T147	N142-G144 PolarHBondContact OD1-N 3.37Å; G144-D146 PolarHBondContact O-N 2.95Å; G144-T147 PolarHBondContact N-OG1 3.31Å; G144-T147 PolarHBondContact O-N 2.88Å; G144-T147 PolarHBondContact O-OG1 2.82Å
145	K	97.9	Very high	98.4	Very high	167 Å²	167	26.5 Å²	26.5	73%	0.726	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	135.6	-175.4	-167.1	-169.4	172.7	-170	0	111.5	T147	K145-T147 VanDerWaalsContact C-N 3.28Å; K145-T147 WeakPolarHBondContact O-CG2 3.41Å; K145-T147 PolarHBondContact O-N 2.9Å
146	D	98	Very high	98.5	Very high	63 Å²	63	25 Å²	25	34%	0.337	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	31.4	173.8	-57.2	-45.2	0	0	0	114.6	F123 P124 D125 G144	F123-D146 CarbonylContact O-C 3.42Å; P124-D146 WeakPolarHBondContact CA-OD1 3.49Å; P124-D146 HydrophobicContact CB-CB 4.3Å; P124-D146 WeakPolarHBondContact CB-OD1 3.34Å; D125-D146 PolarHBondContact N-OD1 3.32Å; D125-D146 PolarHBondContact OD2-N 2.93Å; G144-D146 PolarHBondContact O-N 2.95Å
147	T	98.5	Very high	98.4	Very high	26 Å²	26	26 Å²	26	16%	0.16	16%	0.155	C	C	.	.			trans	-116.1	27.6	-179.9	65.8	0	0	0	0	114.3	N142 A143 G144 K145 G149	N142-T147 WeakPolarHBondContact CB-OG1 3.37Å; A143-T147 PolarHBondContact N-OG1 3.14Å; G144-T147 PolarHBondContact N-OG1 3.31Å; G144-T147 PolarHBondContact O-N 2.88Å; G144-T147 PolarHBondContact O-OG1 2.82Å; K145-T147 VanDerWaalsContact C-N 3.28Å; K145-T147 WeakPolarHBondContact O-CG2 3.41Å; K145-T147 PolarHBondContact O-N 2.9Å; T147-G149 PolarHBondContact O-N 3.49Å
148	N	98.8	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-66	133.9	178.4	-57	-71.8	0	0	0	110.6	R122 F123 P124 D125 M140	R122-N148 CarbonylContact C-O 3.56Å; R122-N148 WeakPolarHBondContact CA-O 3.45Å; F123-N148 HydrophobicContact CD1-CB 3.77Å; F123-N148 WeakPolarHBondContact CD1-O 3.16Å; F123-N148 HydrophobicContact CD2-CB 4.1Å; F123-N148 HydrophobicContact CE1-CB 3.43Å; F123-N148 VanDerWaalsContact CE1-CB 3.43Å; F123-N148 HydrophobicContact CE2-CB 3.79Å; F123-N148 HydrophobicContact CG-CB 4.1Å; F123-N148 HydrophobicContact CZ-CB 3.45Å; F123-N148 VanDerWaalsContact CZ-CB 3.45Å; F123-N148 PolarHBondContact N-O 2.83Å; F123-N148 WeakPolarHBondContact O-CB 3.39Å; F123-N148 PolarHBondContact O-N 2.83Å; F123-N148 PolarHBondContact O-ND2 2.89Å; P124-N148 PolarHBondContact O-ND2 2.84Å; D125-N148 WeakPolarHBondContact CA-ND2 3.39Å; D125-N148 PolarHBondContact N-ND2 2.95Å; D125-N148 PolarHBondContact OD1-ND2 2.99Å; M140-N148 VanDerWaalsContact CB-OD1 3.24Å; M140-N148 WeakPolarHBondContact CB-OD1 3.47Å; M140-N148 HydrophobicContact CE-CB 3.97Å
149	G	98.7	Very high	98.4	Very high	9 Å²	9	31.2 Å²	31.2	9%	0.093	18%	0.18	C	C	.	.			trans	-126.9	-112.3	178.2	0	0	0	0	0	111.2	N75 F123 M140 T147	N75-G149 PolarHBondContact ND2-O 2.86Å; N75-G149 VanDerWaalsContact ND2-O 3.08Å; F123-G149 WeakPolarHBondContact CE1-O 3.37Å; M140-G149 WeakPolarHBondContact CE-O 3.08Å; T147-G149 PolarHBondContact O-N 3.49Å
150	S	98.8	Very high	98.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	20%	0.2	C	C	.	.	S	Bend	trans	-114.3	-13.3	172.1	58.1	0	0	0	0	114.1	Y88 G105 F107 G115 K116	Y88-S150 VanDerWaalsContact CE1-O 3.3Å; Y88-S150 WeakPolarHBondContact CE1-O 3.45Å; Y88-S150 PolarHBondContact OH-O 2.88Å; G105-S150 CarbonylContact O-C 3.55Å; G105-S150 WeakPolarHBondContact O-CB 3.46Å; G105-S150 PolarHBondContact O-OG 2.95Å; F107-S150 VanDerWaalsContact CE1-OG 3.31Å; F107-S150 WeakPolarHBondContact CE1-OG 3.38Å; G115-S150 WeakPolarHBondContact CA-OG 3.31Å; K116-S150 PolarHBondContact N-OG 2.94Å; K116-S150 WeakPolarHBondContact O-CB 3.5Å
151	Q	98.9	Very high	98.4	Very high	23 Å²	23	40.5 Å²	40.5	11%	0.107	22%	0.223	C	C	.	.			trans	-72.1	141.3	-178.1	-65.3	-173.5	45.6	0	0	110.9	H94 G104 D106 G112 G114 M140 A141	H94-Q151 PolarHBondContact CE1-OE1 3.35Å; H94-Q151 PolarHBondContact NE2-OE1 3.4Å; G104-Q151 VanDerWaalsContact O-CA 3.26Å; G104-Q151 WeakPolarHBondContact O-CA 3.36Å; D106-Q151 HydrophobicContact CB-CG 3.97Å; G112-Q151 VanDerWaalsContact C-NE2 3.29Å; G112-Q151 PolarHBondContact O-NE2 3.29Å; G114-Q151 PolarHBondContact O-NE2 3.18Å; M140-Q151 WeakPolarHBondContact CE-O 3.26Å; A141-Q151 HydrophobicContact CB-CB 3.74Å; A141-Q151 PolarHBondContact N-O 3.13Å
152	F	98.9	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	162.9	-179	66	-92.5	0	0	0	109.8	F48 F76 Y88 F93 Q103 G104 L138 S139 I154 F169 I199	F48-F152 HydrophobicContact CD2-CZ 4.46Å; F48-F152 HydrophobicContact CE2-CE1 4.26Å; F48-F152 AromaticContact CE2-CE2 3.96Å; F48-F152 HydrophobicContact CE2-CE2 3.96Å; F48-F152 AromaticContact CE2-CZ 3.48Å; F48-F152 HydrophobicContact CE2-CZ 3.48Å; F48-F152 VanDerWaalsContact CE2-CZ 3.48Å; F48-F152 HydrophobicContact CZ-CE1 4.27Å; F48-F152 AromaticContact CZ-CZ 3.94Å; F48-F152 HydrophobicContact CZ-CZ 3.94Å; F76-F152 HydrophobicContact CD2-CD1 4.44Å; F76-F152 HydrophobicContact CE2-CB 4.34Å; F76-F152 AromaticContact CE2-CD1 3.63Å; F76-F152 HydrophobicContact CE2-CD1 3.63Å; F76-F152 HydrophobicContact CE2-CD2 4.37Å; F76-F152 AromaticContact CE2-CE1 3.94Å; F76-F152 HydrophobicContact CE2-CE1 3.94Å; F76-F152 AromaticContact CE2-CG 3.86Å; F76-F152 HydrophobicContact CE2-CG 3.86Å; F76-F152 HydrophobicContact CE2-CZ 4.44Å; Y88-F152 HydrophobicContact CD1-CE1 4.18Å; Y88-F152 HydrophobicContact CE1-CD1 4.11Å; Y88-F152 AromaticContact CE1-CE1 3.95Å; Y88-F152 HydrophobicContact CE1-CE1 3.95Å; Y88-F152 HydrophobicContact CE2-CE1 4.46Å; F93-F152 AromaticContact CE1-CE2 3.87Å; F93-F152 HydrophobicContact CE1-CE2 3.87Å; F93-F152 HydrophobicContact CE1-CZ 4.24Å; F93-F152 HydrophobicContact CZ-CE2 4.13Å; F93-F152 HydrophobicContact CZ-CZ 4.2Å; Q103-F152 WeakPolarHBondContact CA-O 3.35Å; G104-F152 PolarHBondContact N-O 2.86Å; G104-F152 PolarHBondContact O-N 3.17Å; L138-F152 HydrophobicContact CD1-CB 4.03Å; L138-F152 HydrophobicContact CD1-CD2 3.41Å; L138-F152 VanDerWaalsContact CD1-CD2 3.41Å; L138-F152 HydrophobicContact CD1-CE2 4.17Å; L138-F152 HydrophobicContact CD1-CG 4Å; S139-F152 CarbonylContact O-C 3.39Å; S139-F152 VanDerWaalsContact O-CA 3.3Å; S139-F152 WeakPolarHBondContact O-CA 3.16Å; F152-I154 HydrophobicContact CE2-CD1 4.36Å; F152-I154 HydrophobicContact CE2-CG1 4.47Å; F152-F169 HydrophobicContact CB-CE1 4.47Å; F152-F169 HydrophobicContact CB-CZ 4.25Å; F152-I199 HydrophobicContact CZ-CD1 4.16Å
153	F	98.9	Very high	98.4	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.039	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.3	169.3	65.1	-89.1	0	0	0	111.9	M101 I102 Q103 H132 S139 M140 A141 T155 L162 H166	M101-F153 HydrophobicContact CB-CB 4.35Å; M101-F153 HydrophobicContact CB-CD2 4.03Å; M101-F153 HydrophobicContact CG-CB 4.43Å; M101-F153 HydrophobicContact CG-CD2 4.42Å; M101-F153 HydrophobicContact SD-CB 3.89Å; I102-F153 CarbonylContact O-C 3.47Å; I102-F153 WeakPolarHBondContact O-CA 3.24Å; I102-F153 WeakPolarHBondContact O-CB 3.3Å; Q103-F153 HydrophobicContact CB-CB 4.03Å; H132-F153 AromaticContact CD2-CE2 3.86Å; H132-F153 AromaticContact CD2-CZ 3.98Å; H132-F153 AromaticContact NE2-CE2 3.88Å; H132-F153 AromaticContact NE2-CZ 3.5Å; H132-F153 WeakPolarHBondContact NE2-CZ 3.5Å; S139-F153 PolarHBondContact N-O 2.9Å; S139-F153 PolarHBondContact O-N 3.23Å; M140-F153 WeakPolarHBondContact O-CE1 3.36Å; A141-F153 HydrophobicContact CB-CD1 4.34Å; F153-T155 HydrophobicContact CD2-CG2 4.09Å; F153-T155 HydrophobicContact CE2-CG2 3.79Å; F153-L162 HydrophobicContact CE2-CD1 3.77Å; F153-L162 HydrophobicContact CZ-CD1 3.58Å; F153-H166 HydrophobicContact CE1-CB 4.07Å; F153-H166 AromaticContact CE1-CG 3.93Å; F153-H166 AromaticContact CE1-ND1 3.82Å; F153-H166 HydrophobicContact CZ-CB 4.07Å
154	I	98.9	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.9	172.2	-58.9	161.1	0	0	0	106.8	F93 M101 I102 W137 L138 F152 I172 V179	F93-I154 HydrophobicContact CE1-CD1 4.27Å; F93-I154 HydrophobicContact CZ-CD1 4.45Å; M101-I154 CarbonylContact C-O 3.47Å; M101-I154 VanDerWaalsContact CA-O 3.24Å; M101-I154 WeakPolarHBondContact CA-O 3.3Å; M101-I154 WeakPolarHBondContact CB-O 3.44Å; I102-I154 HydrophobicContact CD1-CB 4.31Å; I102-I154 HydrophobicContact CD1-CD1 4.07Å; I102-I154 HydrophobicContact CG1-CB 3.8Å; I102-I154 HydrophobicContact CG1-CD1 4.31Å; I102-I154 HydrophobicContact CG1-CG1 4.48Å; I102-I154 PolarHBondContact N-O 3.01Å; I102-I154 PolarHBondContact O-N 2.66Å; W137-I154 WeakPolarHBondContact O-CA 3.33Å; L138-I154 HydrophobicContact CD1-CG1 3.83Å; F152-I154 HydrophobicContact CE2-CD1 4.36Å; F152-I154 HydrophobicContact CE2-CG1 4.47Å; I154-I172 HydrophobicContact CD1-CD1 3.87Å; I154-I172 HydrophobicContact CG1-CD1 4.12Å; I154-I172 HydrophobicContact CG2-CD1 4.06Å; I154-I172 HydrophobicContact CG2-CG1 3.74Å; I154-V179 HydrophobicContact CG2-CG1 4.17Å; I154-V179 HydrophobicContact CG2-CG2 4.49Å
155	T	98.9	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	150.2	177.7	62.9	0	0	0	0	111.1	H132 G134 Y136 W137 F153 I157 T159	H132-T155 HydrophobicContact CB-CG2 4.5Å; G134-T155 PolarHBondContact O-OG1 3.16Å; Y136-T155 VanDerWaalsContact CA-O 3.29Å; Y136-T155 WeakPolarHBondContact CA-O 3.38Å; Y136-T155 PolarHBondContact N-O 2.69Å; Y136-T155 PolarHBondContact N-OG1 3.3Å; W137-T155 PolarHBondContact N-OG1 2.94Å; W137-T155 PolarHBondContact O-N 3.37Å; W137-T155 PolarHBondContact O-OG1 3.08Å; F153-T155 HydrophobicContact CD2-CG2 4.09Å; F153-T155 HydrophobicContact CE2-CG2 3.79Å; T155-I157 WeakPolarHBondContact CB-O 3.3Å; T155-T159 HydrophobicContact CG2-CG2 4.04Å
156	T	98.8	Very high	98.6	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.08	19%	0.191	C	C	.	.	S	Bend	trans	-117	-8.2	171.5	60.6	0	0	0	0	112.7	F100 P135 V179 E183	F100-T156 VanDerWaalsContact C-OG1 3.3Å; F100-T156 PolarHBondContact N-OG1 3.47Å; F100-T156 VanDerWaalsContact N-OG1 3.14Å; F100-T156 PolarHBondContact O-N 2.99Å; F100-T156 PolarHBondContact O-OG1 3.31Å; P135-T156 WeakPolarHBondContact CB-O 3.22Å; T156-V179 HydrophobicContact CG2-CG1 4.13Å; T156-E183 VanDerWaalsContact CB-CD 3.43Å; T156-E183 WeakPolarHBondContact CB-OE1 3.44Å; T156-E183 HydrophobicContact CG2-CB 4.19Å; T156-E183 VanDerWaalsContact CG2-CD 3.48Å; T156-E183 HydrophobicContact CG2-CG 4.08Å; T156-E183 PolarHBondContact OG1-OE1 3.34Å
157	I	98.6	Very high	98.7	Very high	60 Å²	60	33.7 Å²	33.7	31%	0.308	18%	0.175	S	C	.	.	S	Bend	trans	-136.4	178.9	167.9	63.3	160.9	0	0	0	109.9	D99 G134 T155 T159 W161	D99-I157 HydrophobicContact CB-CG2 4.42Å; D99-I157 WeakPolarHBondContact O-CD1 3.39Å; D99-I157 WeakPolarHBondContact O-CG1 3.42Å; G134-I157 CarbonylContact C-O 3.58Å; G134-I157 VanDerWaalsContact O-O 3.13Å; T155-I157 WeakPolarHBondContact CB-O 3.3Å; I157-T159 HydrophobicContact CG1-CG2 4.1Å; I157-W161 HydrophobicContact CD1-CH2 3.9Å
158	Q	98.3	Very high	98.7	Very high	111 Å²	111	32.6 Å²	32.6	52%	0.519	17%	0.168	S	C	.	.			trans	-69.7	132.4	167.7	-161.9	-178.1	40.4	0	0	110.5	H132 Y133 P160 W161	H132-Q158 VanDerWaalsContact O-CG 3.23Å; H132-Q158 WeakPolarHBondContact O-CG 3.24Å; Y133-Q158 WeakPolarHBondContact O-CG 3.21Å; Y133-Q158 PolarHBondContact O-NE2 2.85Å; Q158-P160 WeakPolarHBondContact O-CD 3.39Å; Q158-W161 WeakPolarHBondContact O-CH2 3.15Å
159	T	98.4	Very high	98.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.			trans	-128	61.6	-175.8	64.6	0	0	0	0	112.6	F100 H132 T155 I157 W161 L162	F100-T159 HydrophobicContact CD2-CG2 3.67Å; F100-T159 HydrophobicContact CE2-CG2 3.77Å; H132-T159 WeakPolarHBondContact CB-OG1 3.25Å; H132-T159 VanDerWaalsContact CG-OG1 3.32Å; T155-T159 HydrophobicContact CG2-CG2 4.04Å; I157-T159 HydrophobicContact CG1-CG2 4.1Å; T159-W161 HydrophobicContact CG2-CH2 3.97Å; T159-W161 HydrophobicContact CG2-CZ2 3.69Å; T159-W161 PolarHBondContact O-N 2.93Å; T159-W161 VanDerWaalsContact O-N 3.14Å; T159-L162 WeakPolarHBondContact O-CB 3.39Å; T159-L162 PolarHBondContact O-N 3.2Å; T159-L162 VanDerWaalsContact O-N 3.13Å
160	P	98.3	Very high	98.7	Very high	64 Å²	64	32.2 Å²	32.2	42%	0.416	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-66.1	-19.8	-171.1	28.1	-35.7	0	0	0	113.8	Q158 L162 D163	Q158-P160 WeakPolarHBondContact O-CD 3.39Å; P160-L162 PolarHBondContact O-N 3.29Å; P160-D163 VanDerWaalsContact O-CB 3.31Å; P160-D163 WeakPolarHBondContact O-CB 3.23Å; P160-D163 PolarHBondContact O-N 3.05Å; P160-D163 VanDerWaalsContact O-N 3.1Å
161	W	98.6	Very high	98.7	Very high	131 Å²	131	33.5 Å²	33.5	50%	0.496	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-67.4	-13.2	176.2	57	89.2	0	0	0	114	F100 I157 Q158 T159 K165	F100-W161 AromaticContact CD2-CZ2 3.82Å; F100-W161 HydrophobicContact CD2-CZ2 3.82Å; F100-W161 AromaticContact CE2-CZ2 3.73Å; F100-W161 HydrophobicContact CE2-CZ2 3.73Å; F100-W161 AromaticContact CE2-NE1 3.78Å; I157-W161 HydrophobicContact CD1-CH2 3.9Å; Q158-W161 WeakPolarHBondContact O-CH2 3.15Å; T159-W161 HydrophobicContact CG2-CH2 3.97Å; T159-W161 HydrophobicContact CG2-CZ2 3.69Å; T159-W161 PolarHBondContact O-N 2.93Å; T159-W161 VanDerWaalsContact O-N 3.14Å; W161-K165 PolarHBondContact O-NZ 3.1Å
162	L	98.5	Very high	98.7	Very high	22 Å²	22	32.8 Å²	32.8	12%	0.115	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-93.4	-9.5	174.8	-57	-174.4	0	0	0	113	F100 H132 F153 T159 P160 G164 K165 H166	F100-L162 HydrophobicContact CE2-CD1 3.94Å; F100-L162 HydrophobicContact CZ-CD1 4.18Å; H132-L162 PolarHBondContact CE1-O 2.58Å; F153-L162 HydrophobicContact CE2-CD1 3.77Å; F153-L162 HydrophobicContact CZ-CD1 3.58Å; T159-L162 WeakPolarHBondContact O-CB 3.39Å; T159-L162 PolarHBondContact O-N 3.2Å; T159-L162 VanDerWaalsContact O-N 3.13Å; P160-L162 PolarHBondContact O-N 3.29Å; L162-G164 PolarHBondContact O-N 2.81Å; L162-K165 PolarHBondContact O-N 2.8Å; L162-K165 VanDerWaalsContact O-N 3.11Å; L162-H166 PolarHBondContact O-N 3.44Å
163	D	98.6	Very high	98.7	Very high	39 Å²	39	35.3 Å²	35.3	21%	0.209	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	136.6	179.5	-68.5	-12.8	0	0	0	111.1	K131 H132 P160 K165	K131-D163 WeakPolarHBondContact CA-OD1 3.48Å; K131-D163 WeakPolarHBondContact CB-OD1 3.28Å; K131-D163 WeakPolarHBondContact CB-OD2 3.48Å; K131-D163 WeakPolarHBondContact CD-OD2 3.14Å; K131-D163 HydrophobicContact CG-CB 4.29Å; K131-D163 WeakPolarHBondContact CG-OD2 3.31Å; H132-D163 IonicContact CE1-OD1 3.64Å; H132-D163 IonicContact CG-OD1 3.04Å; H132-D163 PolarHBondContact N-OD1 3.03Å; H132-D163 IonicContact ND1-OD1 2.7Å; H132-D163 PolarHBondContact ND1-OD1 2.78Å; P160-D163 VanDerWaalsContact O-CB 3.31Å; P160-D163 WeakPolarHBondContact O-CB 3.23Å; P160-D163 PolarHBondContact O-N 3.05Å; P160-D163 VanDerWaalsContact O-N 3.1Å; D163-K165 PolarHBondContact O-N 3.4Å
164	G	98.2	Very high	98.7	Very high	41 Å²	41	39.8 Å²	39.8	42%	0.423	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	2.3	-176.3	0	0	0	0	0	114.8	F128 L162	F128-G164 WeakPolarHBondContact CE2-O 3.44Å; F128-G164 WeakPolarHBondContact CZ-O 3.41Å; L162-G164 PolarHBondContact O-N 2.81Å
165	K	98.6	Very high	98.6	Very high	128 Å²	128	40.5 Å²	40.5	56%	0.557	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-30.9	179.7	-59	175.1	-172.5	161.9	0	113.2	N142 W161 L162 D163	N142-K165 PolarHBondContact ND2-O 3.32Å; W161-K165 PolarHBondContact O-NZ 3.1Å; L162-K165 PolarHBondContact O-N 2.8Å; L162-K165 VanDerWaalsContact O-N 3.11Å; D163-K165 PolarHBondContact O-N 3.4Å
166	H	98.8	Very high	98.6	Very high	31 Å²	31	43 Å²	43	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	-122.6	133	178.3	-64.5	-88.6	0	0	0	109.9	S139 M140 N142 F153 L162 V168	S139-H166 WeakPolarHBondContact OG-CB 3.24Å; M140-H166 WeakPolarHBondContact O-CB 3.36Å; M140-H166 PolarHBondContact O-ND1 3.22Å; N142-H166 PolarHBondContact OD1-CE1 3.11Å; N142-H166 VanDerWaalsContact OD1-CE1 3.3Å; F153-H166 HydrophobicContact CE1-CB 4.07Å; F153-H166 AromaticContact CE1-CG 3.93Å; F153-H166 AromaticContact CE1-ND1 3.82Å; F153-H166 HydrophobicContact CZ-CB 4.07Å; L162-H166 PolarHBondContact O-N 3.44Å; H166-V168 PolarHBondContact O-N 3.19Å
167	V	98.9	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.			trans	-76	112.2	-178.8	-179.9	0	0	0	0	109.2	V69 T72 D125 F128 S139 M140 F169	V69-V167 HydrophobicContact CG1-CG1 3.9Å; T72-V167 HydrophobicContact CG2-CG1 4.22Å; D125-V167 HydrophobicContact CB-CG2 3.98Å; F128-V167 HydrophobicContact CE1-CG2 4.06Å; S139-V167 WeakPolarHBondContact CA-O 3.14Å; S139-V167 PolarHBondContact OG-O 3.5Å; M140-V167 HydrophobicContact CB-CB 4.4Å; M140-V167 HydrophobicContact CG-CB 4.24Å; M140-V167 PolarHBondContact N-O 3.06Å; V167-F169 WeakPolarHBondContact O-CD1 3.17Å
168	V	98.9	Very high	98.6	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.3	173.5	175.1	0	0	0	0	109.6	L130 H132 W137 H166	L130-V168 HydrophobicContact CB-CB 3.79Å; L130-V168 HydrophobicContact CB-CG1 3.85Å; L130-V168 HydrophobicContact CD1-CG1 4.42Å; H132-V168 VanDerWaalsContact CE1-CG2 3.47Å; H132-V168 WeakPolarHBondContact CE1-CG2 3.42Å; H132-V168 WeakPolarHBondContact NE2-CG2 3.48Å; W137-V168 HydrophobicContact CD2-CG1 4.49Å; W137-V168 HydrophobicContact CE3-CG1 3.5Å; W137-V168 VanDerWaalsContact CE3-CG1 3.5Å; W137-V168 HydrophobicContact CZ3-CG1 4.09Å; H166-V168 PolarHBondContact O-N 3.19Å
169	F	98.9	Very high	98.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	-1.5	-170.6	70.7	-89.4	0	0	0	115.8	L64 F65 V69 T72 V73 F76 L138 S139 M140 F152 V167	L64-F169 HydrophobicContact CD2-CD2 3.99Å; L64-F169 HydrophobicContact CD2-CE2 4.07Å; F65-F169 WeakPolarHBondContact CD2-O 3.37Å; F65-F169 PolarHBondContact N-O 2.81Å; V69-F169 HydrophobicContact CG2-CB 3.53Å; T72-F169 HydrophobicContact CG2-CB 3.72Å; T72-F169 HydrophobicContact CG2-CD1 3.73Å; T72-F169 HydrophobicContact CG2-CD2 4.22Å; T72-F169 HydrophobicContact CG2-CE1 4.36Å; T72-F169 HydrophobicContact CG2-CG 3.64Å; V73-F169 HydrophobicContact CG2-CB 4.42Å; V73-F169 HydrophobicContact CG2-CD2 4.5Å; F76-F169 HydrophobicContact CB-CD2 4.45Å; F76-F169 HydrophobicContact CB-CE2 3.73Å; F76-F169 HydrophobicContact CB-CZ 4.39Å; F76-F169 AromaticContact CD1-CE2 3.97Å; F76-F169 HydrophobicContact CD1-CE2 3.97Å; F76-F169 AromaticContact CD2-CE2 3.49Å; F76-F169 HydrophobicContact CD2-CE2 3.49Å; F76-F169 VanDerWaalsContact CD2-CE2 3.49Å; F76-F169 AromaticContact CD2-CZ 3.5Å; F76-F169 HydrophobicContact CD2-CZ 3.5Å; F76-F169 VanDerWaalsContact CD2-CZ 3.5Å; F76-F169 HydrophobicContact CE1-CE2 4.43Å; F76-F169 HydrophobicContact CE2-CE2 4.01Å; F76-F169 AromaticContact CE2-CZ 3.86Å; F76-F169 HydrophobicContact CE2-CZ 3.86Å; F76-F169 AromaticContact CG-CE2 3.46Å; F76-F169 HydrophobicContact CG-CE2 3.46Å; F76-F169 VanDerWaalsContact CG-CE2 3.46Å; F76-F169 AromaticContact CG-CZ 3.99Å; F76-F169 HydrophobicContact CG-CZ 3.99Å; F76-F169 HydrophobicContact CZ-CE2 4.44Å; L138-F169 HydrophobicContact CD1-CE1 4.48Å; L138-F169 HydrophobicContact CD1-CZ 4.02Å; L138-F169 HydrophobicContact CD2-CD2 3.95Å; L138-F169 HydrophobicContact CD2-CE1 4.29Å; L138-F169 HydrophobicContact CD2-CE2 3.22Å; L138-F169 HydrophobicContact CD2-CZ 3.44Å; L138-F169 VanDerWaalsContact CD2-CZ 3.44Å; L138-F169 HydrophobicContact CG-CD1 4.44Å; L138-F169 HydrophobicContact CG-CD2 4.34Å; L138-F169 HydrophobicContact CG-CE1 3.84Å; L138-F169 HydrophobicContact CG-CE2 3.71Å; L138-F169 HydrophobicContact CG-CZ 3.43Å; L138-F169 VanDerWaalsContact CG-CZ 3.43Å; L138-F169 PolarHBondContact O-N 3.39Å; S139-F169 VanDerWaalsContact C-CE1 3.45Å; M140-F169 HydrophobicContact CG-CD1 3.84Å; M140-F169 HydrophobicContact CG-CE1 3.74Å; M140-F169 HydrophobicContact SD-CD1 4.03Å; M140-F169 HydrophobicContact SD-CE1 3.42Å; M140-F169 WeakPolarHBondContact SD-CE1 3.34Å; M140-F169 HydrophobicContact SD-CZ 3.92Å; F152-F169 HydrophobicContact CB-CE1 4.47Å; F152-F169 HydrophobicContact CB-CZ 4.25Å; V167-F169 WeakPolarHBondContact O-CD1 3.17Å
170	G	98.8	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	-178.7	172.9	0	0	0	0	0	114.1	G63 F65 L138	G63-G170 CarbonylContact O-C 3.54Å; G63-G170 WeakPolarHBondContact O-CA 3.34Å; F65-G170 WeakPolarHBondContact CE2-O 3.34Å; F65-G170 VanDerWaalsContact CZ-C 3.44Å; L138-G170 PolarHBondContact N-O 3.14Å; L138-G170 PolarHBondContact O-N 2.96Å
171	K	98.9	Very high	98.7	Very high	28 Å²	28	45.8 Å²	45.8	12%	0.122	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.3	170.4	-168.7	-177.9	-178.5	171.5	0	109.4	G63 F65 Y136 W137 L173 I213 E216	G63-K171 PolarHBondContact N-O 3.39Å; G63-K171 PolarHBondContact O-N 3.09Å; F65-K171 HydrophobicContact CZ-CB 3.91Å; Y136-K171 CarbonylContact O-C 3.46Å; Y136-K171 VanDerWaalsContact O-CA 3.32Å; Y136-K171 WeakPolarHBondContact O-CA 3.49Å; Y136-K171 VanDerWaalsContact O-CG 3.27Å; Y136-K171 WeakPolarHBondContact O-CG 3.44Å; W137-K171 HydrophobicContact CD2-CD 4.39Å; W137-K171 HydrophobicContact CD2-CG 4.37Å; W137-K171 HydrophobicContact CG-CG 4.46Å; W137-K171 HydrophobicContact CZ2-CD 4.03Å; K171-L173 PolarHBondContact O-N 2.86Å; K171-I213 HydrophobicContact CB-CD1 3.79Å; K171-I213 HydrophobicContact CD-CD1 3.69Å; K171-I213 HydrophobicContact CG-CD1 4.34Å; K171-E216 PolarHBondContact NZ-O 3.08Å
172	I	98.8	Very high	98.7	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.041	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.5	171.8	-48	-52.1	0	0	0	108.8	I60 I62 Y136 I154 E174 T176 V179	I60-I172 HydrophobicContact CG2-CD1 3.68Å; I60-I172 HydrophobicContact CG2-CG1 4.42Å; I60-I172 HydrophobicContact CG2-CG2 3.86Å; I62-I172 HydrophobicContact CB-CD1 4.48Å; I62-I172 HydrophobicContact CD1-CD1 4.29Å; I62-I172 HydrophobicContact CG1-CD1 3.73Å; I62-I172 HydrophobicContact CG2-CD1 4.46Å; Y136-I172 PolarHBondContact O-N 3.27Å; I154-I172 HydrophobicContact CD1-CD1 3.87Å; I154-I172 HydrophobicContact CG1-CD1 4.12Å; I154-I172 HydrophobicContact CG2-CD1 4.06Å; I154-I172 HydrophobicContact CG2-CG1 3.74Å; I172-E174 WeakPolarHBondContact CG2-O 2.92Å; I172-T176 HydrophobicContact CG2-CG2 4.22Å; I172-V179 HydrophobicContact CG1-CG2 4.31Å
173	L	98.6	Very high	98.7	Very high	54 Å²	54	39.5 Å²	39.5	28%	0.283	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-35.7	177.6	-58.1	179.9	0	0	0	111.4	V42 K45 V61 K171 F211 I213	V42-L173 HydrophobicContact CG1-CD1 4.32Å; V42-L173 HydrophobicContact CG2-CD1 4.49Å; K45-L173 HydrophobicContact CD-CD1 4.36Å; K45-L173 HydrophobicContact CG-CD1 4.25Å; V61-L173 PolarHBondContact O-N 2.98Å; K171-L173 PolarHBondContact O-N 2.86Å; L173-F211 HydrophobicContact CD1-CZ 4Å; L173-I213 HydrophobicContact CD2-CG2 4.43Å
174	E	98.8	Very high	98.7	Very high	103 Å²	103	40.3 Å²	40.3	48%	0.481	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.9	-178	-52	164.3	-140.4	0	0	109.2	K45 V61 I172	K45-E174 IonicContact NZ-OE1 2.72Å; V61-E174 HydrophobicContact CB-CB 3.88Å; V61-E174 HydrophobicContact CB-CG 4.24Å; V61-E174 HydrophobicContact CG2-CB 4.04Å; V61-E174 HydrophobicContact CG2-CG 4.5Å; V61-E174 PolarHBondContact N-O 2.8Å; V61-E174 PolarHBondContact O-N 3.3Å; I172-E174 WeakPolarHBondContact CG2-O 2.92Å
175	G	98.6	Very high	98.7	Very high	14 Å²	14	39.6 Å²	39.6	14%	0.144	21%	0.208	C	C	.	.			trans	83.8	30.1	-179.8	0	0	0	0	0	115	R59 D177 V178 V179	R59-G175 WeakPolarHBondContact O-CA 3.2Å; G175-D177 WeakPolarHBondContact CA-OD1 3.49Å; G175-D177 PolarHBondContact O-N 3.23Å; G175-V178 WeakPolarHBondContact O-CB 3.43Å; G175-V178 PolarHBondContact O-N 2.79Å; G175-V178 VanDerWaalsContact O-N 3.12Å; G175-V179 PolarHBondContact O-N 3.25Å; G175-V179 VanDerWaalsContact O-N 3.15Å
176	T	98.4	Very high	98.7	Very high	52 Å²	52	41.3 Å²	41.3	32%	0.319	22%	0.216	S	C	.	.	H	α-helix	trans	-65.8	-28	176	56.1	0	0	0	0	112.4	Y136 I172 V178 V179 K180	Y136-T176 HydrophobicContact CD1-CG2 4.19Å; Y136-T176 HydrophobicContact CD2-CG2 3.87Å; Y136-T176 HydrophobicContact CE1-CG2 4.28Å; Y136-T176 HydrophobicContact CE2-CG2 3.98Å; Y136-T176 HydrophobicContact CG-CG2 4Å; I172-T176 HydrophobicContact CG2-CG2 4.22Å; T176-V178 VanDerWaalsContact C-N 3.34Å; T176-V179 PolarHBondContact O-N 3.06Å; T176-K180 WeakPolarHBondContact O-CG 3.26Å; T176-K180 PolarHBondContact O-N 2.67Å
177	D	98.6	Very high	98.7	Very high	88 Å²	88	42.5 Å²	42.5	47%	0.471	23%	0.225	S	C	.	.	H	α-helix	trans	-63.8	-37.8	170.1	65.2	-54.3	0	0	0	111.8	G175 K180 K181	G175-D177 WeakPolarHBondContact CA-OD1 3.49Å; G175-D177 PolarHBondContact O-N 3.23Å; D177-K180 PolarHBondContact O-N 3.19Å; D177-K181 WeakPolarHBondContact O-CG 3.32Å; D177-K181 PolarHBondContact O-N 3.34Å
178	V	98.8	Very high	98.6	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-45.3	173.8	-174.1	0	0	0	0	110.5	I50 V57 I60 G175 T176 K180 K181 I182	I50-V178 HydrophobicContact CB-CG1 3.95Å; I50-V178 HydrophobicContact CG1-CG1 3.93Å; I50-V178 HydrophobicContact CG2-CG1 4.42Å; V57-V178 HydrophobicContact CG2-CG1 3.98Å; I60-V178 HydrophobicContact CD1-CB 4.41Å; I60-V178 HydrophobicContact CD1-CG1 4.07Å; I60-V178 HydrophobicContact CG1-CB 3.89Å; I60-V178 HydrophobicContact CG1-CG1 3.87Å; G175-V178 WeakPolarHBondContact O-CB 3.43Å; G175-V178 PolarHBondContact O-N 2.79Å; G175-V178 VanDerWaalsContact O-N 3.12Å; T176-V178 VanDerWaalsContact C-N 3.34Å; V178-K180 VanDerWaalsContact C-N 3.31Å; V178-K180 PolarHBondContact O-N 3.2Å; V178-K181 WeakPolarHBondContact O-CB 3.4Å; V178-K181 PolarHBondContact O-N 3.21Å; V178-K181 VanDerWaalsContact O-N 3.12Å; V178-I182 HydrophobicContact CG1-CD1 4.46Å; V178-I182 WeakPolarHBondContact O-CG1 3.31Å; V178-I182 PolarHBondContact O-N 2.7Å
179	V	98.8	Very high	98.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.6	-44.6	174.8	175.6	0	0	0	0	111.2	I60 I102 Y136 I154 T156 I172 G175 T176 K181 I182 E183	I60-V179 HydrophobicContact CD1-CG2 3.74Å; I60-V179 HydrophobicContact CG1-CG2 4.21Å; I102-V179 HydrophobicContact CD1-CB 4.49Å; I102-V179 HydrophobicContact CD1-CG1 3.87Å; I102-V179 HydrophobicContact CG1-CG1 4.5Å; Y136-V179 HydrophobicContact CD1-CB 4.33Å; Y136-V179 HydrophobicContact CD1-CG1 3.96Å; Y136-V179 HydrophobicContact CE1-CB 4.36Å; Y136-V179 HydrophobicContact CE1-CG1 4.08Å; I154-V179 HydrophobicContact CG2-CG1 4.17Å; I154-V179 HydrophobicContact CG2-CG2 4.49Å; T156-V179 HydrophobicContact CG2-CG1 4.13Å; I172-V179 HydrophobicContact CG1-CG2 4.31Å; G175-V179 PolarHBondContact O-N 3.25Å; G175-V179 VanDerWaalsContact O-N 3.15Å; T176-V179 PolarHBondContact O-N 3.06Å; V179-K181 PolarHBondContact O-N 3.22Å; V179-I182 PolarHBondContact O-N 2.88Å; V179-E183 WeakPolarHBondContact O-CB 3.24Å; V179-E183 PolarHBondContact O-N 3.41Å
180	K	98.6	Very high	98.5	Very high	114 Å²	114	57.3 Å²	57.3	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-37.3	175.6	-72.5	177.5	-174.9	-177.4	0	112.9	Y136 T176 D177 V178 E183 G184	Y136-K180 WeakPolarHBondContact OH-CE 3.47Å; T176-K180 WeakPolarHBondContact O-CG 3.26Å; T176-K180 PolarHBondContact O-N 2.67Å; D177-K180 PolarHBondContact O-N 3.19Å; V178-K180 VanDerWaalsContact C-N 3.31Å; V178-K180 PolarHBondContact O-N 3.2Å; K180-E183 PolarHBondContact O-N 2.9Å; K180-G184 PolarHBondContact O-N 2.86Å
181	K	98.6	Very high	98.5	Very high	103 Å²	103	59.6 Å²	59.6	45%	0.448	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-42.7	174	-74.9	176.1	-174.1	176.5	0	111.3	I52 V57 D177 V178 V179 G184 T185	I52-K181 HydrophobicContact CD1-CB 4.47Å; V57-K181 HydrophobicContact CB-CD 4.27Å; V57-K181 PolarHBondContact O-NZ 2.8Å; D177-K181 WeakPolarHBondContact O-CG 3.32Å; D177-K181 PolarHBondContact O-N 3.34Å; V178-K181 WeakPolarHBondContact O-CB 3.4Å; V178-K181 PolarHBondContact O-N 3.21Å; V178-K181 VanDerWaalsContact O-N 3.12Å; V179-K181 PolarHBondContact O-N 3.22Å; K181-G184 PolarHBondContact O-N 3.44Å; K181-T185 PolarHBondContact O-N 3.32Å
182	I	98.8	Very high	98.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-50.4	175.4	-60.6	167.7	0	0	0	109.7	I50 I60 F93 V96 I102 V178 V179 G184 T185 V197	I50-I182 HydrophobicContact CG1-CD1 4.29Å; I50-I182 HydrophobicContact CG2-CD1 3.94Å; I50-I182 HydrophobicContact CG2-CG1 4.16Å; I60-I182 HydrophobicContact CD1-CD1 3.99Å; F93-I182 HydrophobicContact CE2-CD1 4.33Å; V96-I182 HydrophobicContact CG2-CG2 3.95Å; I102-I182 HydrophobicContact CB-CG2 4.16Å; I102-I182 HydrophobicContact CD1-CB 4.07Å; I102-I182 HydrophobicContact CD1-CD1 3.79Å; I102-I182 HydrophobicContact CD1-CG2 3.91Å; I102-I182 HydrophobicContact CG2-CB 4.45Å; I102-I182 HydrophobicContact CG2-CG2 3.83Å; V178-I182 HydrophobicContact CG1-CD1 4.46Å; V178-I182 WeakPolarHBondContact O-CG1 3.31Å; V178-I182 PolarHBondContact O-N 2.7Å; V179-I182 PolarHBondContact O-N 2.88Å; I182-G184 VanDerWaalsContact C-N 3.25Å; I182-G184 PolarHBondContact O-N 3.05Å; I182-T185 WeakPolarHBondContact O-CB 3.45Å; I182-T185 WeakPolarHBondContact O-CG2 3.03Å; I182-T185 PolarHBondContact O-N 3.02Å; I182-T185 VanDerWaalsContact O-N 3.09Å; I182-V197 HydrophobicContact CB-CG1 4.36Å; I182-V197 HydrophobicContact CD1-CG1 4.06Å; I182-V197 HydrophobicContact CG1-CG1 3.74Å; I182-V197 HydrophobicContact CG2-CB 4.46Å; I182-V197 HydrophobicContact CG2-CG1 3.81Å; I182-V197 HydrophobicContact CG2-CG2 4.3Å
183	E	98.8	Very high	98.5	Very high	21 Å²	21	61.7 Å²	61.7	10%	0.098	33%	0.333	C	S	.	.	H	α-helix	trans	-57.7	-37.2	178.2	-177.9	-175.5	-151	0	0	112.8	K98 D99 I102 T156 V179 K180 T185	K98-E183 HydrophobicContact CB-CG 4.44Å; K98-E183 HydrophobicContact CG-CG 4.29Å; D99-E183 WeakPolarHBondContact CA-OE1 3.35Å; D99-E183 PolarHBondContact N-OE1 3.28Å; I102-E183 HydrophobicContact CG2-CB 4.28Å; T156-E183 VanDerWaalsContact CB-CD 3.43Å; T156-E183 WeakPolarHBondContact CB-OE1 3.44Å; T156-E183 HydrophobicContact CG2-CB 4.19Å; T156-E183 VanDerWaalsContact CG2-CD 3.48Å; T156-E183 HydrophobicContact CG2-CG 4.08Å; T156-E183 PolarHBondContact OG1-OE1 3.34Å; V179-E183 WeakPolarHBondContact O-CB 3.24Å; V179-E183 PolarHBondContact O-N 3.41Å; K180-E183 PolarHBondContact O-N 2.9Å; E183-T185 VanDerWaalsContact C-N 3.26Å; E183-T185 PolarHBondContact O-N 3.06Å
184	G	98.3	Very high	98.5	Very high	56 Å²	56	64.6 Å²	64.6	58%	0.577	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	0.3	179	0	0	0	0	0	115.1	K180 K181 I182	K180-G184 PolarHBondContact O-N 2.86Å; K181-G184 PolarHBondContact O-N 3.44Å; I182-G184 VanDerWaalsContact C-N 3.25Å; I182-G184 PolarHBondContact O-N 3.05Å
185	T	98.2	Very high	98.5	Very high	26 Å²	26	65.9 Å²	65.9	16%	0.16	35%	0.352	C	S	.	.	S	Bend	trans	-67.7	151.7	178.4	-158.9	0	0	0	0	111.5	V96 K181 I182 E183 T187 P193 V197	V96-T185 HydrophobicContact CG1-CG2 4.27Å; K181-T185 PolarHBondContact O-N 3.32Å; I182-T185 WeakPolarHBondContact O-CB 3.45Å; I182-T185 WeakPolarHBondContact O-CG2 3.03Å; I182-T185 PolarHBondContact O-N 3.02Å; I182-T185 VanDerWaalsContact O-N 3.09Å; E183-T185 VanDerWaalsContact C-N 3.26Å; E183-T185 PolarHBondContact O-N 3.06Å; T185-T187 HydrophobicContact CG2-CG2 4.23Å; T185-P193 HydrophobicContact CG2-CB 3.79Å; T185-P193 HydrophobicContact CG2-CG 3.93Å; T185-V197 HydrophobicContact CG2-CG2 4.4Å
186	K	98.5	Very high	98.5	Very high	164 Å²	164	69 Å²	69	71%	0.713	37%	0.365	S	S	*	.			trans	-71.5	135.2	173.1	-66.3	-176.4	178.6	-178.5	0	109.4	L194	K186-L194 HydrophobicContact CB-CD1 3.71Å; K186-L194 HydrophobicContact CB-CG 4.13Å; K186-L194 WeakPolarHBondContact O-CG 3.09Å; K186-L194 PolarHBondContact O-N 2.82Å
187	T	98.8	Very high	98.5	Very high	55 Å²	55	66.5 Å²	66.5	34%	0.337	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-119.2	158.5	178.5	54.6	0	0	0	0	112	V96 T185 K192	V96-T187 HydrophobicContact CB-CG2 4.02Å; V96-T187 HydrophobicContact CG1-CG2 4.26Å; T185-T187 HydrophobicContact CG2-CG2 4.23Å; T187-K192 CarbonylContact C-O 3.47Å; T187-K192 WeakPolarHBondContact CA-O 3.17Å
188	D	98.1	Very high	98.5	Very high	46 Å²	46	63.6 Å²	63.6	25%	0.246	34%	0.337	C	S	.	.			trans	-80.2	178.8	167.9	79.1	1.8	0	0	0	111.3	R190 D191 K192 L194	D188-R190 PolarHBondContact O-N 3.41Å; D188-R190 WeakPolarHBondContact OD1-CA 3.46Å; D188-R190 WeakPolarHBondContact OD1-CB 3.42Å; D188-R190 PolarHBondContact OD1-N 3.03Å; D188-R190 IonicContact OD2-CZ 2.68Å; D188-R190 IonicContact OD2-NE 2.91Å; D188-R190 PolarHBondContact OD2-NE 3.23Å; D188-R190 IonicContact OD2-NH2 3.61Å; D188-R190 PolarHBondContact OD2-NH2 3.49Å; D188-D191 PolarHBondContact O-N 3.44Å; D188-D191 PolarHBondContact OD1-N 3.3Å; D188-K192 PolarHBondContact N-O 3.44Å; D188-K192 WeakPolarHBondContact OD1-CB 3.38Å; D188-K192 PolarHBondContact OD1-N 3.39Å; D188-L194 HydrophobicContact CB-CD2 3.99Å
189	G	97.6	Very high	98.5	Very high	88 Å²	88	63.5 Å²	63.5	91%	0.907	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	0.3	179.2	0	0	0	0	0	115.6
190	R	97.3	Very high	98.5	Very high	181 Å²	181	67.1 Å²	67.1	68%	0.683	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	18	174.3	-58.7	173.5	-64.9	179.7	-2	111.5	D188 K192	D188-R190 PolarHBondContact O-N 3.41Å; D188-R190 WeakPolarHBondContact OD1-CA 3.46Å; D188-R190 WeakPolarHBondContact OD1-CB 3.42Å; D188-R190 PolarHBondContact OD1-N 3.03Å; D188-R190 IonicContact OD2-CZ 2.68Å; D188-R190 IonicContact OD2-NE 2.91Å; D188-R190 PolarHBondContact OD2-NE 3.23Å; D188-R190 IonicContact OD2-NH2 3.61Å; D188-R190 PolarHBondContact OD2-NH2 3.49Å; R190-K192 PolarHBondContact O-N 2.82Å
191	D	98.6	Very high	98.5	Very high	48 Å²	48	63.8 Å²	63.8	26%	0.257	34%	0.341	S	S	.	.	S	Bend	trans	64.8	15.5	-177.3	-44.5	-48.4	0	0	0	113.7	R95 V96 I97 D188	R95-D191 CarbonylContact C-O 3.55Å; R95-D191 WeakPolarHBondContact CA-O 3.43Å; R95-D191 HydrophobicContact CG-CB 3.8Å; R95-D191 IonicContact CZ-OD2 3.59Å; R95-D191 IonicContact NE-OD2 3.31Å; R95-D191 PolarHBondContact NE-OD2 3.39Å; R95-D191 IonicContact NH2-OD2 2.95Å; R95-D191 PolarHBondContact NH2-OD2 2.85Å; V96-D191 PolarHBondContact N-O 2.74Å; I97-D191 HydrophobicContact CD1-CB 4.41Å; I97-D191 WeakPolarHBondContact CD1-OD2 3.19Å; I97-D191 HydrophobicContact CG1-CB 3.74Å; D188-D191 PolarHBondContact O-N 3.44Å; D188-D191 PolarHBondContact OD1-N 3.3Å
192	K	98.6	Very high	98.5	Very high	74 Å²	74	59.4 Å²	59.4	32%	0.322	32%	0.323	S	S	.	.			trans	-83.8	128.7	178.7	-175.7	-171.9	171.3	-169.6	0	109.9	T187 D188 R190 L194	T187-K192 CarbonylContact C-O 3.47Å; T187-K192 WeakPolarHBondContact CA-O 3.17Å; D188-K192 PolarHBondContact N-O 3.44Å; D188-K192 WeakPolarHBondContact OD1-CB 3.38Å; D188-K192 PolarHBondContact OD1-N 3.39Å; R190-K192 PolarHBondContact O-N 2.82Å; K192-L194 PolarHBondContact O-N 3.02Å
193	P	98.7	Very high	98.5	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.032	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-52.8	135.3	172.1	-29.9	38.2	0	0	0	113.2	V96 T185 K195 V197	V96-P193 HydrophobicContact CB-CG 4.08Å; V96-P193 HydrophobicContact CG2-CG 3.59Å; T185-P193 HydrophobicContact CG2-CB 3.79Å; T185-P193 HydrophobicContact CG2-CG 3.93Å; P193-K195 VanDerWaalsContact C-N 3.35Å; P193-K195 WeakPolarHBondContact CB-O 3.39Å; P193-V197 HydrophobicContact CB-CG2 3.99Å; P193-V197 HydrophobicContact CG-CG2 4.08Å
194	L	98.5	Very high	98.5	Very high	115 Å²	115	62.7 Å²	62.7	60%	0.602	34%	0.339	S	S	*	.	S	Bend	trans	-69.8	-34.3	177.3	-63.6	-175.1	0	0	0	112.1	K186 D188 K192	K186-L194 HydrophobicContact CB-CD1 3.71Å; K186-L194 HydrophobicContact CB-CG 4.13Å; K186-L194 WeakPolarHBondContact O-CG 3.09Å; K186-L194 PolarHBondContact O-N 2.82Å; D188-L194 HydrophobicContact CB-CD2 3.99Å; K192-L194 PolarHBondContact O-N 3.02Å
195	K	98.5	Very high	98.4	Very high	130 Å²	130	62.8 Å²	62.8	57%	0.565	33%	0.326	S	S	*	.	S	Bend	trans	-103.1	130.9	165	-68.9	-175.3	176.5	-174	0	107.6	I52 P193 V197	I52-K195 HydrophobicContact CG2-CB 4Å; I52-K195 HydrophobicContact CG2-CD 4.42Å; P193-K195 VanDerWaalsContact C-N 3.35Å; P193-K195 WeakPolarHBondContact CB-O 3.39Å; K195-V197 PolarHBondContact O-N 3.06Å
196	D	98.5	Very high	98	Very high	79 Å²	79	68.1 Å²	68.1	42%	0.422	35%	0.349	S	S	.	.			trans	-58.5	129.6	178.7	-81.6	-10.1	0	0	0	110.2	G53	G53-D196 PolarHBondContact N-O 3.13Å
197	V	98.8	Very high	97.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.1	172.5	-179.4	0	0	0	0	106.9	I50 R51 I52 K92 F93 I182 T185 P193 K195	I50-V197 HydrophobicContact CG2-CG1 3.82Å; R51-V197 CarbonylContact O-C 3.54Å; R51-V197 VanDerWaalsContact O-CA 3.31Å; R51-V197 WeakPolarHBondContact O-CA 3.49Å; I52-V197 HydrophobicContact CG1-CG1 4.37Å; I52-V197 HydrophobicContact CG1-CG2 4.16Å; I52-V197 HydrophobicContact CG2-CG2 4.36Å; K92-V197 CarbonylContact C-O 3.52Å; K92-V197 WeakPolarHBondContact CA-O 3.41Å; K92-V197 VanDerWaalsContact CB-O 3.26Å; K92-V197 WeakPolarHBondContact CB-O 3.36Å; F93-V197 HydrophobicContact CB-CB 4.14Å; F93-V197 HydrophobicContact CB-CG1 4.19Å; F93-V197 HydrophobicContact CD2-CB 4.48Å; F93-V197 HydrophobicContact CD2-CG1 3.77Å; F93-V197 HydrophobicContact CG-CG1 4.3Å; F93-V197 PolarHBondContact N-O 3.07Å; I182-V197 HydrophobicContact CB-CG1 4.36Å; I182-V197 HydrophobicContact CD1-CG1 4.06Å; I182-V197 HydrophobicContact CG1-CG1 3.74Å; I182-V197 HydrophobicContact CG2-CB 4.46Å; I182-V197 HydrophobicContact CG2-CG1 3.81Å; I182-V197 HydrophobicContact CG2-CG2 4.3Å; T185-V197 HydrophobicContact CG2-CG2 4.4Å; P193-V197 HydrophobicContact CB-CG2 3.99Å; P193-V197 HydrophobicContact CG-CG2 4.08Å; K195-V197 PolarHBondContact O-N 3.06Å
198	S	98.8	Very high	97.4	Very high	28 Å²	28	68.7 Å²	68.7	20%	0.196	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.8	-171.6	62.6	0	0	0	0	112.8	I50 R51 S91 H200	I50-S198 WeakPolarHBondContact CA-O 3.38Å; R51-S198 PolarHBondContact N-O 2.7Å; R51-S198 PolarHBondContact O-N 3.11Å; S91-S198 WeakPolarHBondContact O-CA 3.29Å; S198-H200 PolarHBondContact O-N 3.39Å
199	I	98.9	Very high	97.3	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	91.8	168.8	-58.4	172.4	0	0	0	106.4	F48 D49 I50 S90 S91 F93 F152 C202	F48-I199 HydrophobicContact CB-CG2 4.09Å; F48-I199 HydrophobicContact CD1-CD1 4.29Å; F48-I199 HydrophobicContact CD1-CG2 3.71Å; F48-I199 HydrophobicContact CD2-CD1 4.15Å; F48-I199 HydrophobicContact CE1-CD1 4.25Å; F48-I199 HydrophobicContact CE1-CG2 4.36Å; F48-I199 HydrophobicContact CE2-CD1 4.1Å; F48-I199 HydrophobicContact CG-CD1 4.25Å; F48-I199 HydrophobicContact CG-CG1 4.4Å; F48-I199 HydrophobicContact CG-CG2 4.04Å; F48-I199 HydrophobicContact CZ-CD1 4.14Å; D49-I199 CarbonylContact O-C 3.38Å; I50-I199 HydrophobicContact CD1-CG1 4.05Å; S90-I199 WeakPolarHBondContact CA-O 3.48Å; S90-I199 PolarHBondContact N-O 2.91Å; S91-I199 PolarHBondContact O-N 2.84Å; F93-I199 HydrophobicContact CD2-CG1 4.49Å; F93-I199 HydrophobicContact CE2-CD1 4.19Å; F93-I199 HydrophobicContact CE2-CG1 3.81Å; F152-I199 HydrophobicContact CZ-CD1 4.16Å; I199-C202 HydrophobicContact CG2-CB 3.73Å
200	H	98.3	Very high	97.3	Very high	76 Å²	76	73.5 Å²	73.5	35%	0.352	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-41.5	-176.5	176	-104.1	0	0	0	111.9	D49 R51 K89 S198	D49-H200 PolarHBondContact O-N 2.89Å; R51-H200 HydrophobicContact CG-CB 3.98Å; R51-H200 VanDerWaalsContact CZ-CD2 3.47Å; R51-H200 PolarHBondContact NH1-CD2 2.9Å; R51-H200 PolarHBondContact NH1-NE2 3.43Å; K89-H200 WeakPolarHBondContact CE-O 3.46Å; S198-H200 PolarHBondContact O-N 3.39Å
201	D	98.8	Very high	97.2	Very high	44 Å²	44	68.7 Å²	68.7	24%	0.235	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.2	172.6	-156	21.1	0	0	0	111.1	D49 K89	D49-D201 HydrophobicContact CB-CB 4.16Å; D49-D201 PolarHBondContact N-O 3.28Å; D49-D201 PolarHBondContact O-N 2.84Å; K89-D201 VanDerWaalsContact CE-OD1 3.28Å; K89-D201 WeakPolarHBondContact CE-OD1 3.49Å; K89-D201 IonicContact NZ-OD1 3.41Å; K89-D201 PolarHBondContact NZ-OD1 2.66Å
202	C	98.8	Very high	97.1	Very high	11 Å²	11	68.4 Å²	68.4	7%	0.074	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	157.1	179.8	60.8	0	0	0	0	112.3	Y47 F48 A80 K89 I199	Y47-C202 VanDerWaalsContact O-CA 3.24Å; Y47-C202 WeakPolarHBondContact O-CA 3.3Å; Y47-C202 WeakPolarHBondContact O-CB 3.43Å; F48-C202 HydrophobicContact CD1-CB 3.46Å; F48-C202 VanDerWaalsContact CD1-CB 3.46Å; F48-C202 HydrophobicContact CE1-CB 3.81Å; A80-C202 CarbonylContact O-C 3.56Å; A80-C202 PolarHBondContact O-SG 3.49Å; K89-C202 PolarHBondContact N-SG 3.39Å; K89-C202 VanDerWaalsContact N-SG 3.38Å; I199-C202 HydrophobicContact CG2-CB 3.73Å
203	G	98.6	Very high	97	Very high	7 Å²	7	66.1 Å²	66.1	7%	0.072	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-177.5	175.6	0	0	0	0	0	113.5	V46 Y47	V46-G203 CarbonylContact C-O 3.53Å; V46-G203 VanDerWaalsContact CA-O 3.27Å; V46-G203 WeakPolarHBondContact CA-O 3Å; Y47-G203 VanDerWaalsContact CD1-O 3.25Å; Y47-G203 WeakPolarHBondContact CD1-O 3.26Å; Y47-G203 VanDerWaalsContact CE1-CA 3.43Å; Y47-G203 VanDerWaalsContact CE1-N 3.35Å; Y47-G203 PolarHBondContact N-O 2.8Å; Y47-G203 PolarHBondContact O-N 2.72Å
204	K	98.5	Very high	96.8	Very high	84 Å²	84	68.1 Å²	68.1	37%	0.365	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.7	178.3	-172	-169.8	177	-159.5	0	110.7	I77 T81 E206	I77-K204 HydrophobicContact CG2-CB 4.26Å; I77-K204 HydrophobicContact CG2-CD 3.91Å; I77-K204 HydrophobicContact CG2-CG 4.09Å; T81-K204 HydrophobicContact CG2-CB 3.9Å; K204-E206 WeakPolarHBondContact CE-OE1 3.4Å; K204-E206 IonicContact NZ-OE1 3.43Å; K204-E206 PolarHBondContact NZ-OE1 3.32Å; K204-E206 IonicContact NZ-OE2 3.52Å; K204-E206 PolarHBondContact NZ-OE2 3.45Å
205	I	97.8	Very high	96.7	Very high	58 Å²	58	67.8 Å²	67.8	30%	0.297	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.1	165	-64.9	164.7	0	0	0	107.5	K45 Y47 V61	K45-I205 HydrophobicContact CB-CB 3.77Å; K45-I205 HydrophobicContact CB-CG2 4.21Å; K45-I205 HydrophobicContact CD-CG2 4.29Å; K45-I205 PolarHBondContact N-O 3.11Å; K45-I205 VanDerWaalsContact N-O 3.11Å; K45-I205 PolarHBondContact O-N 3.24Å; Y47-I205 HydrophobicContact CD1-CD1 3.93Å; Y47-I205 HydrophobicContact CD1-CG1 3.87Å; Y47-I205 HydrophobicContact CG-CD1 4.28Å; V61-I205 HydrophobicContact CG1-CD1 4.36Å
206	E	88.7	Confident	96.3	Very high	138 Å²	138	68.4 Å²	68.4	65%	0.645	35%	0.346	S	S	*	.			trans	-68.2	146.3	177.2	-66.3	-63.2	164.7	0	0	111.2	K204	K204-E206 WeakPolarHBondContact CE-OE1 3.4Å; K204-E206 IonicContact NZ-OE1 3.43Å; K204-E206 PolarHBondContact NZ-OE1 3.32Å; K204-E206 IonicContact NZ-OE2 3.52Å; K204-E206 PolarHBondContact NZ-OE2 3.45Å
207	V	94.4	Very high	96.2	Very high	23 Å²	23	67.9 Å²	67.9	14%	0.139	34%	0.343	C	S	.	.			trans	-118.4	108.5	174.8	176.7	0	0	0	0	107.4	V42 K45 K209 F211	V42-V207 HydrophobicContact CG1-CG2 4.48Å; K45-V207 HydrophobicContact CB-CG2 4.23Å; K45-V207 HydrophobicContact CD-CG2 4.08Å; K45-V207 HydrophobicContact CG-CG2 3.7Å; V207-K209 VanDerWaalsContact C-N 3.31Å; V207-K209 WeakPolarHBondContact CG1-O 3.33Å; V207-K209 PolarHBondContact O-N 2.9Å; V207-F211 HydrophobicContact CG1-CD1 4.24Å; V207-F211 HydrophobicContact CG1-CE1 4.09Å
208	E	91.7	Very high	96.1	Very high	208 Å²	208	71.4 Å²	71.4	97%	0.972	36%	0.361	S	S	*	.	S	Bend	trans	-58.4	-42.7	-176.5	-65.5	-177.1	173.4	0	0	112.4
209	K	95.4	Very high	95.9	Very high	173 Å²	173	73.8 Å²	73.8	75%	0.752	37%	0.37	S	S	*	.	S	Bend	trans	-136.1	123.3	179.1	-170	176	-178.8	177.7	0	110.9	V207 F211	V207-K209 VanDerWaalsContact C-N 3.31Å; V207-K209 WeakPolarHBondContact CG1-O 3.33Å; V207-K209 PolarHBondContact O-N 2.9Å; K209-F211 PolarHBondContact O-N 2.88Å
210	P	96.7	Very high	95.7	Very high	62 Å²	62	78.2 Å²	78.2	40%	0.403	39%	0.392	S	S	.	.			trans	-59.6	137.4	175.7	-25.6	34.5	0	0	0	112.5	K41 V42 T43	K41-P210 HydrophobicContact CB-CB 4.48Å; V42-P210 WeakPolarHBondContact O-CA 3.29Å; V42-P210 WeakPolarHBondContact O-CB 3.27Å; T43-P210 HydrophobicContact CG2-CB 4.22Å; T43-P210 HydrophobicContact CG2-CG 4.34Å
211	F	96.4	Very high	95.6	Very high	79 Å²	79	78.3 Å²	78.3	35%	0.346	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.7	-179.2	60.8	-88.4	0	0	0	110.8	K41 V42 L173 V207 K209 I213	K41-F211 CarbonylContact C-O 3.49Å; K41-F211 VanDerWaalsContact CA-O 3.26Å; K41-F211 WeakPolarHBondContact CA-O 3.01Å; V42-F211 HydrophobicContact CB-CD1 4.39Å; V42-F211 HydrophobicContact CB-CD2 4.36Å; V42-F211 HydrophobicContact CB-CE1 3.94Å; V42-F211 HydrophobicContact CB-CE2 3.91Å; V42-F211 HydrophobicContact CB-CZ 3.68Å; V42-F211 HydrophobicContact CG1-CE1 3.93Å; V42-F211 HydrophobicContact CG1-CE2 4.45Å; V42-F211 HydrophobicContact CG1-CZ 3.76Å; V42-F211 HydrophobicContact CG2-CD2 4.5Å; V42-F211 HydrophobicContact CG2-CE2 3.87Å; V42-F211 HydrophobicContact CG2-CZ 4Å; V42-F211 PolarHBondContact N-O 3.19Å; V42-F211 PolarHBondContact O-N 3.48Å; L173-F211 HydrophobicContact CD1-CZ 4Å; V207-F211 HydrophobicContact CG1-CD1 4.24Å; V207-F211 HydrophobicContact CG1-CE1 4.09Å; K209-F211 PolarHBondContact O-N 2.88Å; F211-I213 HydrophobicContact CD2-CG2 4.03Å; F211-I213 HydrophobicContact CE2-CG2 3.8Å
212	A	96.6	Very high	95.4	Very high	42 Å²	42	80.6 Å²	80.6	35%	0.347	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.4	178	0	0	0	0	0	111	K38 P40 K41	K38-A212 HydrophobicContact CB-CB 4.03Å; K38-A212 HydrophobicContact CG-CB 4.46Å; P40-A212 WeakPolarHBondContact O-CA 3.45Å; K41-A212 HydrophobicContact CG-CB 4.25Å
213	I	95.6	Very high	95.1	Very high	27 Å²	27	85.6 Å²	85.6	14%	0.138	43%	0.428	C	S	.	.			trans	-119.3	159.8	171.4	64.5	167.3	0	0	0	110.7	G39 P40 V42 F65 K171 L173 F211	G39-I213 CarbonylContact C-O 3.47Å; G39-I213 WeakPolarHBondContact CA-O 3.32Å; G39-I213 PolarHBondContact N-O 2.95Å; P40-I213 HydrophobicContact CG-CG1 4.17Å; P40-I213 PolarHBondContact O-N 2.84Å; P40-I213 VanDerWaalsContact O-N 3.12Å; V42-I213 HydrophobicContact CG2-CD1 4.49Å; V42-I213 HydrophobicContact CG2-CG2 3.92Å; F65-I213 HydrophobicContact CE1-CD1 3.6Å; F65-I213 HydrophobicContact CE1-CG1 4.08Å; F65-I213 HydrophobicContact CZ-CD1 3.67Å; F65-I213 HydrophobicContact CZ-CG1 4.44Å; K171-I213 HydrophobicContact CB-CD1 3.79Å; K171-I213 HydrophobicContact CD-CD1 3.69Å; K171-I213 HydrophobicContact CG-CD1 4.34Å; L173-I213 HydrophobicContact CD2-CG2 4.43Å; F211-I213 HydrophobicContact CD2-CG2 4.03Å; F211-I213 HydrophobicContact CE2-CG2 3.8Å
214	A	95.1	Very high	94.9	Very high	46 Å²	46	91.6 Å²	91.6	38%	0.38	46%	0.456	S	S	.	.			trans	-69.3	152.1	177.5	0	0	0	0	0	112.7	E216	A214-E216 VanDerWaalsContact C-N 3.3Å; A214-E216 HydrophobicContact CB-CG 3.91Å; A214-E216 PolarHBondContact O-N 3.31Å
215	K	95.3	Very high	94.6	Very high	109 Å²	109	92.3 Å²	92.3	47%	0.474	46%	0.463	S	S	.	.			trans	-90.6	64.2	174.5	-67.1	177.7	-176.2	173.6	0	110.4	Y133	Y133-K215 HydrophobicContact CD1-CB 3.84Å; Y133-K215 HydrophobicContact CD2-CB 4.24Å; Y133-K215 HydrophobicContact CE1-CB 3.84Å; Y133-K215 HydrophobicContact CE1-CD 3.97Å; Y133-K215 HydrophobicContact CE1-CG 4.17Å; Y133-K215 HydrophobicContact CE2-CB 4.23Å; Y133-K215 HydrophobicContact CE2-CD 4.44Å; Y133-K215 HydrophobicContact CE2-CG 4.09Å; Y133-K215 HydrophobicContact CG-CB 4.04Å
216	E	91	Very high	94.3	Very high	142 Å²	142	95.4 Å²	95.4	66%	0.664	48%	0.478	S	S	*	.			trans	-131.5	0	-178.1	67.7	-169	-174.6	0	0	111.7	G134 W137 K171 A214	G134-E216 WeakPolarHBondContact CA-OXT 3.46Å; W137-E216 PolarHBondContact NE1-O 2.65Å; K171-E216 PolarHBondContact NZ-O 3.08Å; A214-E216 VanDerWaalsContact C-N 3.3Å; A214-E216 HydrophobicContact CB-CG 3.91Å; A214-E216 PolarHBondContact O-N 3.31Å

Retrieved 216 of 216 residues in 1719.9 ms (Link to these results)

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