A0A096MSQ8_PAPAN Loading...

Heteroous nuclear ribonucleoprotein A1

AlphaFold DB (P09651), UniProt , Accession A0A096MSQ8, Species PAPAN (Papio anubis, Olive baboon), Gene HNRNPA1, Length 372 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	58	Low	245 Å²	245	132.4 Å²	132.4	100%	1.207	72%	0.72	S	S	*	*				0	111.1	0	-71.4	160.5	174.5	0	0	108	K3	M1-K3 PolarHBondContact O-N 3.28Å
2	S	40.6	Very low	60.5	Low	125 Å²	125	126.2 Å²	126.2	87%	0.874	68%	0.682	S	S	*	*			trans	-77.8	111.3	172	31.2	0	0	0	0	108.9	S4	S2-S4 PolarHBondContact O-N 2.76Å
3	K	43.2	Very low	62.9	Low	205 Å²	205	120.9 Å²	120.9	89%	0.891	65%	0.653	S	S	*	*			trans	-63.4	122.8	165.7	-105	-174.8	172.9	-176.9	0	107.3	M1 E5	M1-K3 PolarHBondContact O-N 3.28Å; K3-E5 PolarHBondContact O-N 2.88Å; K3-E5 VanDerWaalsContact O-N 3.11Å
4	S	41.4	Very low	65.2	Low	115 Å²	115	113.8 Å²	113.8	80%	0.804	61%	0.612	S	S	*	*			trans	-63.9	109.9	171.1	49.3	0	0	0	0	108.5	S2 S6	S2-S4 PolarHBondContact O-N 2.76Å; S4-S6 PolarHBondContact O-N 3.03Å; S4-S6 VanDerWaalsContact O-N 3.09Å
5	E	46	Very low	67.2	Low	143 Å²	143	108 Å²	108	67%	0.668	58%	0.579	S	S	*	*			trans	-76.3	97.7	179.2	-166.7	160.3	-141.4	0	0	108.4	K3 K8	K3-E5 PolarHBondContact O-N 2.88Å; K3-E5 VanDerWaalsContact O-N 3.11Å; E5-K8 HydrophobicContact CG-CD 4.21Å; E5-K8 HydrophobicContact CG-CG 4.33Å; E5-K8 WeakPolarHBondContact OE1-CD 3.48Å; E5-K8 WeakPolarHBondContact OE1-CE 3.38Å; E5-K8 IonicContact OE1-NZ 3.72Å; E5-K8 PolarHBondContact OE1-NZ 3.04Å
6	S	52.3	Low	69.1	Low	89 Å²	89	101.3 Å²	101.3	62%	0.622	54%	0.543	S	S	*	.			trans	-51.5	149.3	167.2	-2.4	0	0	0	0	109.2	S4 K8	S4-S6 PolarHBondContact O-N 3.03Å; S4-S6 VanDerWaalsContact O-N 3.09Å; S6-K8 PolarHBondContact O-N 2.68Å
7	P	54.1	Low	70.7	Confident	133 Å²	133	96.9 Å²	96.9	86%	0.864	52%	0.518	S	S	*	.			trans	-58.9	99.7	179.7	25	-34	0	0	0	109.6	E9	P7-E9 PolarHBondContact O-N 3.15Å
8	K	65.7	Low	72.2	Confident	136 Å²	136	91.5 Å²	91.5	59%	0.591	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-62.8	133.1	-170.4	-81.2	177.2	166.9	168.6	0	110.1	E5 S6	E5-K8 HydrophobicContact CG-CD 4.21Å; E5-K8 HydrophobicContact CG-CG 4.33Å; E5-K8 WeakPolarHBondContact OE1-CD 3.48Å; E5-K8 WeakPolarHBondContact OE1-CE 3.38Å; E5-K8 IonicContact OE1-NZ 3.72Å; E5-K8 PolarHBondContact OE1-NZ 3.04Å; S6-K8 PolarHBondContact O-N 2.68Å
9	E	78.4	Confident	73.4	Confident	76 Å²	76	86.9 Å²	86.9	36%	0.355	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-52.4	137.7	172.8	-57.7	170.7	115.9	0	0	109.4	P7 E11 R14 T64 V65	P7-E9 PolarHBondContact O-N 3.15Å; E9-E11 PolarHBondContact O-N 3.46Å; E9-R14 HydrophobicContact CB-CG 4.23Å; E9-R14 PolarHBondContact O-NE 3.17Å; E9-R14 PolarHBondContact O-NH2 3.34Å; E9-T64 VanDerWaalsContact OE2-CA 3.29Å; E9-T64 WeakPolarHBondContact OE2-CA 3.47Å; E9-V65 HydrophobicContact CB-CG2 4.2Å; E9-V65 HydrophobicContact CG-CG2 4.42Å; E9-V65 WeakPolarHBondContact OE1-CB 3.43Å; E9-V65 WeakPolarHBondContact OE1-CG2 3.48Å; E9-V65 PolarHBondContact OE2-N 2.83Å
10	P	88.1	Confident	74.5	Confident	85 Å²	85	83.2 Å²	83.2	55%	0.552	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-49.2	134.5	-179.6	-29.3	34.1	0	0	0	111.7	Q12 L13	P10-Q12 PolarHBondContact O-N 3.15Å; P10-L13 HydrophobicContact CB-CG 4.37Å; P10-L13 HydrophobicContact CG-CD1 4.41Å; P10-L13 PolarHBondContact O-N 3.07Å
11	E	89.5	Confident	75.6	Confident	104 Å²	104	79.4 Å²	79.4	49%	0.486	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-50.2	-38.2	-177.5	-166.8	-163.1	132.5	0	0	111.9	E9 L13 R14 K15 T61	E9-E11 PolarHBondContact O-N 3.46Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 PolarHBondContact O-N 3.46Å; E11-R14 CarbonylContact O-C 3.46Å; E11-R14 WeakPolarHBondContact O-CA 3.48Å; E11-R14 PolarHBondContact O-N 2.8Å; E11-K15 WeakPolarHBondContact O-CB 3.44Å; E11-K15 PolarHBondContact O-N 3.44Å; E11-K15 IonicContact OE1-NZ 2.82Å; E11-K15 PolarHBondContact OE1-NZ 2.79Å; E11-T61 HydrophobicContact CG-CG2 3.66Å
12	Q	88.7	Confident	78.3	Confident	58 Å²	58	68.7 Å²	68.7	27%	0.271	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-54.3	-36.4	177	-163.4	65	59.9	0	0	114.4	P10 A89 V90	P10-Q12 PolarHBondContact O-N 3.15Å; Q12-A89 PolarHBondContact NE2-O 3.06Å; Q12-V90 PolarHBondContact NE2-O 2.9Å; Q12-V90 VanDerWaalsContact NE2-O 3.08Å
13	L	91.7	Very high	80.9	Confident	58 Å²	58	69.4 Å²	69.4	30%	0.304	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-75.5	-29.8	177.3	-58.4	-175.9	0	0	0	111.9	P10 E11 V65 I164	P10-L13 HydrophobicContact CB-CG 4.37Å; P10-L13 HydrophobicContact CG-CD1 4.41Å; P10-L13 PolarHBondContact O-N 3.07Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 PolarHBondContact O-N 3.46Å; L13-V65 HydrophobicContact CB-CG2 3.59Å; L13-I164 HydrophobicContact CD2-CD1 4.17Å; L13-I164 HydrophobicContact CD2-CG2 3.66Å
14	R	94.6	Very high	83.3	Confident	21 Å²	21	67.3 Å²	67.3	8%	0.079	36%	0.358	C	S	.	.	S	Bend	trans	-90.5	-0.4	-177.7	-66.1	-172.9	-72.6	97.6	4.3	113.7	E9 E11 T61 Y62 A63 V65 V68	E9-R14 HydrophobicContact CB-CG 4.23Å; E9-R14 PolarHBondContact O-NE 3.17Å; E9-R14 PolarHBondContact O-NH2 3.34Å; E11-R14 CarbonylContact O-C 3.46Å; E11-R14 WeakPolarHBondContact O-CA 3.48Å; E11-R14 PolarHBondContact O-N 2.8Å; R14-T61 HydrophobicContact CB-CG2 4.3Å; R14-T61 CarbonylContact O-C 3.59Å; R14-T61 WeakPolarHBondContact O-CA 3.2Å; R14-Y62 PolarHBondContact NH1-O 3.39Å; R14-Y62 PolarHBondContact O-N 2.99Å; R14-A63 WeakPolarHBondContact CD-O 3.24Å; R14-V65 HydrophobicContact CG-CG2 3.75Å; R14-V68 WeakPolarHBondContact O-CG2 3.36Å
15	K	95.8	Very high	85.8	Confident	27 Å²	27	61.8 Å²	61.8	12%	0.117	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.8	-173	-161.7	169.8	-153.8	100.1	0	111.1	E11 D42 F59 V60 T61 A89	E11-K15 WeakPolarHBondContact O-CB 3.44Å; E11-K15 PolarHBondContact O-N 3.44Å; E11-K15 IonicContact OE1-NZ 2.82Å; E11-K15 PolarHBondContact OE1-NZ 2.79Å; K15-D42 IonicContact NZ-OD2 2.71Å; K15-D42 PolarHBondContact NZ-OD2 3.23Å; K15-F59 HydrophobicContact CG-CB 4.43Å; K15-F59 HydrophobicContact CG-CD1 4.4Å; K15-V60 CarbonylContact C-O 3.53Å; K15-V60 WeakPolarHBondContact CA-O 3.27Å; K15-T61 HydrophobicContact CB-CG2 4.14Å; K15-T61 WeakPolarHBondContact CE-OG1 3.44Å; K15-T61 HydrophobicContact CG-CG2 4.4Å; K15-T61 WeakPolarHBondContact CG-OG1 3.48Å; K15-T61 PolarHBondContact NZ-OG1 3.04Å; K15-A89 HydrophobicContact CB-CB 3.94Å; K15-A89 HydrophobicContact CG-CB 4.06Å; K15-A89 WeakPolarHBondContact O-CB 3.18Å; K15-A89 PolarHBondContact O-N 3.36Å
16	L	96.9	Very high	88.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.7	169.9	-67.3	-179.6	0	0	0	110.3	I18 F59 V60 Y62 V68 A71 M72 P86 K87 R88	L16-I18 HydrophobicContact CB-CD1 3.76Å; L16-I18 HydrophobicContact CD1-CD1 4.3Å; L16-F59 VanDerWaalsContact O-CA 3.25Å; L16-F59 WeakPolarHBondContact O-CA 3.37Å; L16-V60 HydrophobicContact CB-CG2 3.89Å; L16-V60 HydrophobicContact CD1-CG2 4.44Å; L16-V60 PolarHBondContact N-O 3.27Å; L16-V60 PolarHBondContact O-N 3Å; L16-V60 VanDerWaalsContact O-N 3.07Å; L16-Y62 HydrophobicContact CD1-CE2 4.14Å; L16-V68 HydrophobicContact CD1-CG1 4.35Å; L16-V68 HydrophobicContact CD2-CG1 3.55Å; L16-V68 HydrophobicContact CG-CG1 3.92Å; L16-A71 HydrophobicContact CD1-CB 4.17Å; L16-M72 HydrophobicContact CD1-CG 4.35Å; L16-M72 HydrophobicContact CD1-SD 4.06Å; L16-M72 HydrophobicContact CD2-CG 3.9Å; L16-M72 HydrophobicContact CD2-SD 3.6Å; L16-M72 VanDerWaalsContact CD2-SD 3.6Å; L16-P86 HydrophobicContact CD1-CB 4.4Å; L16-K87 CarbonylContact C-O 3.55Å; L16-K87 WeakPolarHBondContact CA-O 3.31Å; L16-K87 WeakPolarHBondContact CD2-O 3.28Å; L16-R88 HydrophobicContact CD2-CG 4.19Å
17	F	96.6	Very high	90.3	Very high	27 Å²	27	55.7 Å²	55.7	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.2	158.1	167.4	-90.6	0	0	0	108.1	F57 F59 P86 K87 F315	F17-F57 HydrophobicContact CD2-CD2 4.06Å; F17-F57 HydrophobicContact CE2-CB 3.94Å; F17-F57 AromaticContact CE2-CD2 3.43Å; F17-F57 HydrophobicContact CE2-CD2 3.43Å; F17-F57 VanDerWaalsContact CE2-CD2 3.43Å; F17-F57 HydrophobicContact CE2-CE2 4.1Å; F17-F57 AromaticContact CE2-CG 3.83Å; F17-F57 HydrophobicContact CE2-CG 3.83Å; F17-F57 HydrophobicContact CZ-CB 3.97Å; F17-F57 HydrophobicContact CZ-CD2 4.27Å; F17-F57 HydrophobicContact CZ-CG 4.24Å; F17-F59 HydrophobicContact CB-CD1 4.15Å; F17-F59 HydrophobicContact CB-CE1 3.91Å; F17-F59 AromaticContact CD2-CE1 3.89Å; F17-F59 HydrophobicContact CD2-CE1 3.89Å; F17-F59 HydrophobicContact CD2-CZ 4.01Å; F17-F59 HydrophobicContact CG-CE1 4.41Å; F17-P86 CarbonylContact O-C 3.55Å; F17-P86 WeakPolarHBondContact O-CA 3.42Å; F17-K87 HydrophobicContact CD1-CB 4.49Å; F17-K87 PolarHBondContact N-O 2.69Å; F17-K87 PolarHBondContact O-N 2.88Å; F17-F315 HydrophobicContact CE2-CE1 4.19Å; F17-F315 HydrophobicContact CE2-CZ 4.39Å; F17-F315 HydrophobicContact CZ-CZ 4.49Å
18	I	97.2	Very high	92.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	103.1	176.2	-46.1	-58.2	0	0	0	108.7	L16 L21 L30 F34 F57 G58 V60 V84 P86	L16-I18 HydrophobicContact CB-CD1 3.76Å; L16-I18 HydrophobicContact CD1-CD1 4.3Å; I18-L21 HydrophobicContact CB-CD2 4.21Å; I18-L21 HydrophobicContact CG2-CD2 3.5Å; I18-L21 VanDerWaalsContact CG2-CD2 3.5Å; I18-L21 HydrophobicContact CG2-CG 4.42Å; I18-L30 HydrophobicContact CB-CD1 4.5Å; I18-L30 HydrophobicContact CG1-CD1 4.44Å; I18-L30 HydrophobicContact CG2-CD1 4.3Å; I18-F34 HydrophobicContact CD1-CE1 3.98Å; I18-F34 HydrophobicContact CD1-CE2 3.94Å; I18-F34 HydrophobicContact CD1-CZ 3.59Å; I18-F34 HydrophobicContact CG1-CE2 3.94Å; I18-F34 HydrophobicContact CG1-CZ 4.11Å; I18-F34 HydrophobicContact CG2-CE2 3.94Å; I18-F34 HydrophobicContact CG2-CZ 4.07Å; I18-F57 CarbonylContact O-C 3.51Å; I18-F57 WeakPolarHBondContact O-CA 3.15Å; I18-F57 WeakPolarHBondContact O-CB 3.21Å; I18-G58 PolarHBondContact N-O 3.37Å; I18-G58 PolarHBondContact O-N 3.36Å; I18-V60 HydrophobicContact CD1-CG2 4.01Å; I18-V60 HydrophobicContact CG1-CG1 4.3Å; I18-V60 HydrophobicContact CG1-CG2 4.11Å; I18-V84 HydrophobicContact CG2-CB 3.88Å; I18-V84 HydrophobicContact CG2-CG1 4.46Å; I18-V84 HydrophobicContact CG2-CG2 3.83Å; I18-P86 HydrophobicContact CD1-CB 3.79Å; I18-P86 HydrophobicContact CD1-CG 4.36Å
19	G	96	Very high	93.8	Very high	5 Å²	5	50.3 Å²	50.3	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	154	177.9	0	0	0	0	0	113.2	V84 E85	G19-V84 WeakPolarHBondContact O-CA 3.18Å; G19-V84 WeakPolarHBondContact O-CB 3.44Å; G19-E85 PolarHBondContact N-O 3.42Å; G19-E85 PolarHBondContact O-N 3.14Å
20	G	94.8	Very high	94.7	Very high	12 Å²	12	46.7 Å²	46.7	12%	0.124	24%	0.238	C	C	.	.	S	Bend	trans	76.3	22	170	0	0	0	0	0	115.7	G56 R82	G20-G56 CarbonylContact C-O 3.59Å; G20-G56 WeakPolarHBondContact CA-O 3.3Å; G20-G56 PolarHBondContact N-O 3.37Å; G20-R82 WeakPolarHBondContact O-CD 3.46Å; G20-R82 PolarHBondContact O-NE 3.26Å
21	L	96.7	Very high	95.1	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	23%	0.226	C	C	.	.			trans	-54.6	160.5	174.6	-59.6	-175.9	0	0	0	112.6	I18 T25 L30 V45 G56 F57 V84	I18-L21 HydrophobicContact CB-CD2 4.21Å; I18-L21 HydrophobicContact CG2-CD2 3.5Å; I18-L21 VanDerWaalsContact CG2-CD2 3.5Å; I18-L21 HydrophobicContact CG2-CG 4.42Å; L21-T25 HydrophobicContact CB-CG2 4.38Å; L21-T25 HydrophobicContact CD1-CG2 4.08Å; L21-T25 HydrophobicContact CD2-CG2 4.36Å; L21-L30 HydrophobicContact CD1-CD1 4.33Å; L21-L30 HydrophobicContact CD1-CD2 4.19Å; L21-L30 HydrophobicContact CD2-CD1 3.74Å; L21-V45 HydrophobicContact CD1-CG1 4.08Å; L21-V45 HydrophobicContact CD1-CG2 4.05Å; L21-G56 PolarHBondContact N-O 3.39Å; L21-F57 VanDerWaalsContact CD1-C 3.46Å; L21-V84 HydrophobicContact CD2-CB 4.42Å; L21-V84 HydrophobicContact CD2-CG1 3.75Å
22	S	95.5	Very high	95.5	Very high	19 Å²	19	45.3 Å²	45.3	13%	0.133	23%	0.23	C	C	.	.			trans	-66	154	166	-171.8	0	0	0	0	109.9	E24 T25 S54	S22-E24 PolarHBondContact O-N 2.91Å; S22-E24 PolarHBondContact OG-N 3.39Å; S22-T25 WeakPolarHBondContact CB-OG1 3.4Å; S22-T25 PolarHBondContact N-OG1 2.82Å; S22-T25 WeakPolarHBondContact O-CB 3.18Å; S22-T25 PolarHBondContact O-N 3.43Å; S22-S54 PolarHBondContact O-OG 2.62Å
23	F	94.5	Very high	95.9	Very high	140 Å²	140	45 Å²	45	61%	0.614	23%	0.229	S	C	*	.	S	Bend	trans	-68.8	-18.6	169.3	-64.6	-50.4	0	0	0	112.2	S54	F23-S54 WeakPolarHBondContact CD1-O 3.47Å; F23-S54 WeakPolarHBondContact O-CB 3.49Å
24	E	93.8	Very high	96.1	Very high	161 Å²	161	42.3 Å²	42.3	75%	0.752	22%	0.215	S	C	*	.	S	Bend	trans	-86.5	-17.3	177.2	-62.9	169	160.8	0	0	112.7	S22 T26	S22-E24 PolarHBondContact O-N 2.91Å; S22-E24 PolarHBondContact OG-N 3.39Å; E24-T26 WeakPolarHBondContact O-CG2 3.24Å; E24-T26 PolarHBondContact O-N 3.44Å
25	T	95.5	Very high	96.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.			trans	-57.5	134.8	-178.4	-63.3	0	0	0	0	111.5	L21 S22 L30 V45 R47 V79 D80	L21-T25 HydrophobicContact CB-CG2 4.38Å; L21-T25 HydrophobicContact CD1-CG2 4.08Å; L21-T25 HydrophobicContact CD2-CG2 4.36Å; S22-T25 WeakPolarHBondContact CB-OG1 3.4Å; S22-T25 PolarHBondContact N-OG1 2.82Å; S22-T25 WeakPolarHBondContact O-CB 3.18Å; S22-T25 PolarHBondContact O-N 3.43Å; T25-L30 HydrophobicContact CG2-CB 4.06Å; T25-V45 HydrophobicContact CG2-CG2 3.95Å; T25-R47 PolarHBondContact O-NH2 2.87Å; T25-V79 HydrophobicContact CG2-CG1 4.06Å; T25-D80 WeakPolarHBondContact CA-OD2 3.44Å; T25-D80 WeakPolarHBondContact CB-OD2 3.21Å; T25-D80 VanDerWaalsContact CG2-OD2 3.3Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.3Å; T25-D80 PolarHBondContact OG1-OD2 2.75Å
26	T	95.9	Very high	96.3	Very high	50 Å²	50	50 Å²	50	31%	0.307	25%	0.252	S	S	.	.			trans	-111.5	168.4	179.8	82.7	0	0	0	0	111.4	E24 E28 S29 L30 V45	E24-T26 WeakPolarHBondContact O-CG2 3.24Å; E24-T26 PolarHBondContact O-N 3.44Å; T26-E28 WeakPolarHBondContact CB-OE2 3.23Å; T26-E28 PolarHBondContact O-N 3.1Å; T26-E28 PolarHBondContact OG1-N 2.72Å; T26-E28 PolarHBondContact OG1-OE2 2.81Å; T26-S29 PolarHBondContact N-OG 3.17Å; T26-S29 PolarHBondContact O-N 2.76Å; T26-S29 PolarHBondContact O-OG 3.26Å; T26-S29 PolarHBondContact OG1-N 3.5Å; T26-S29 VanDerWaalsContact OG1-N 3.11Å; T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.33Å; T26-L30 PolarHBondContact O-N 3.44Å; T26-V45 WeakPolarHBondContact O-CG2 3.44Å
27	D	95.9	Very high	96.3	Very high	54 Å²	54	53 Å²	53	29%	0.289	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-28.8	-179.9	-55.8	-9.7	0	0	0	109.6	R31 C43 V45 R47	D27-R31 WeakPolarHBondContact O-CB 3.33Å; D27-R31 PolarHBondContact O-N 2.88Å; D27-C43 PolarHBondContact O-SG 3.42Å; D27-V45 WeakPolarHBondContact OD1-CB 3.43Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.23Å; D27-V45 PolarHBondContact OD1-N 3.36Å; D27-R47 IonicContact OD1-NH2 3.91Å
28	E	96.3	Very high	96.3	Very high	128 Å²	128	52.5 Å²	52.5	60%	0.598	27%	0.265	S	S	*	.	H	α-helix	trans	-76	-43.7	174.1	-51	77.6	-171.1	0	0	113.1	T26 R31 S32	T26-E28 WeakPolarHBondContact CB-OE2 3.23Å; T26-E28 PolarHBondContact O-N 3.1Å; T26-E28 PolarHBondContact OG1-N 2.72Å; T26-E28 PolarHBondContact OG1-OE2 2.81Å; E28-R31 PolarHBondContact O-N 2.78Å; E28-S32 VanDerWaalsContact O-CB 3.22Å; E28-S32 WeakPolarHBondContact O-CB 3.39Å; E28-S32 PolarHBondContact O-N 3.44Å
29	S	96.3	Very high	96.3	Very high	27 Å²	27	56.9 Å²	56.9	19%	0.189	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-39.1	177.7	71.9	0	0	0	0	111.6	T26 H33 D80	T26-S29 PolarHBondContact N-OG 3.17Å; T26-S29 PolarHBondContact O-N 2.76Å; T26-S29 PolarHBondContact O-OG 3.26Å; T26-S29 PolarHBondContact OG1-N 3.5Å; T26-S29 VanDerWaalsContact OG1-N 3.11Å; S29-H33 PolarHBondContact O-N 2.83Å; S29-H33 VanDerWaalsContact O-N 3.1Å; S29-D80 WeakPolarHBondContact CB-OD1 3.43Å; S29-D80 PolarHBondContact OG-OD1 3.33Å; S29-D80 PolarHBondContact OG-OD2 3.26Å
30	L	97.1	Very high	96.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-44.6	172.2	-172.7	66	0	0	0	111.3	I18 L21 T25 T26 H33 F34 V45 V60 V79	I18-L30 HydrophobicContact CB-CD1 4.5Å; I18-L30 HydrophobicContact CG1-CD1 4.44Å; I18-L30 HydrophobicContact CG2-CD1 4.3Å; L21-L30 HydrophobicContact CD1-CD1 4.33Å; L21-L30 HydrophobicContact CD1-CD2 4.19Å; L21-L30 HydrophobicContact CD2-CD1 3.74Å; T25-L30 HydrophobicContact CG2-CB 4.06Å; T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.33Å; T26-L30 PolarHBondContact O-N 3.44Å; L30-H33 PolarHBondContact O-N 2.79Å; L30-F34 HydrophobicContact CD1-CD2 3.68Å; L30-F34 HydrophobicContact CD1-CE2 3.64Å; L30-F34 HydrophobicContact CG-CD2 4.26Å; L30-F34 WeakPolarHBondContact O-CD2 3.16Å; L30-F34 PolarHBondContact O-N 3.49Å; L30-F34 VanDerWaalsContact O-N 3.08Å; L30-V45 HydrophobicContact CB-CG2 4.26Å; L30-V45 HydrophobicContact CD2-CG2 3.98Å; L30-V60 HydrophobicContact CD1-CG1 4.48Å; L30-V60 HydrophobicContact CD2-CG1 3.91Å; L30-V60 HydrophobicContact CG-CG1 3.86Å; L30-V79 HydrophobicContact CD1-CG1 4.46Å
31	R	97.6	Very high	96.3	Very high	78 Å²	78	60.3 Å²	60.3	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-53.2	176.7	174.2	176.4	-72.1	-85	-0.5	111.7	D27 E28 H33 F34 E35 L40 C43	D27-R31 WeakPolarHBondContact O-CB 3.33Å; D27-R31 PolarHBondContact O-N 2.88Å; E28-R31 PolarHBondContact O-N 2.78Å; R31-H33 PolarHBondContact O-N 3.07Å; R31-F34 PolarHBondContact O-N 3.3Å; R31-F34 VanDerWaalsContact O-N 3.13Å; R31-E35 VanDerWaalsContact CD-OE1 3.28Å; R31-E35 WeakPolarHBondContact CD-OE1 3.39Å; R31-E35 HydrophobicContact CG-CG 3.92Å; R31-E35 WeakPolarHBondContact CG-OE1 3.43Å; R31-E35 WeakPolarHBondContact CG-OE2 3.39Å; R31-E35 IonicContact CZ-OE1 3.65Å; R31-E35 IonicContact NE-OE1 3.88Å; R31-E35 IonicContact NH1-OE1 2.69Å; R31-E35 PolarHBondContact NH1-OE1 3.04Å; R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 WeakPolarHBondContact O-CG 3.44Å; R31-E35 PolarHBondContact O-N 2.89Å; R31-L40 HydrophobicContact CB-CD1 4.49Å; R31-L40 HydrophobicContact CG-CD1 4.36Å; R31-L40 PolarHBondContact NH1-O 2.86Å; R31-C43 HydrophobicContact CB-CB 4.21Å
32	S	96.8	Very high	96.3	Very high	82 Å²	82	62.4 Å²	62.4	57%	0.573	32%	0.321	S	S	*	.	H	α-helix	trans	-60.1	-29.1	-178.4	-175.3	0	0	0	0	113.1	E28 Q36	E28-S32 VanDerWaalsContact O-CB 3.22Å; E28-S32 WeakPolarHBondContact O-CB 3.39Å; E28-S32 PolarHBondContact O-N 3.44Å; S32-Q36 PolarHBondContact O-NE2 3.26Å
33	H	97.5	Very high	96.4	Very high	53 Å²	53	62.1 Å²	62.1	25%	0.245	32%	0.319	C	S	.	.	H	α-helix	trans	-72	-56.7	169.9	-167.3	80.9	0	0	0	111.9	S29 L30 R31 E35 Q36 W37 H77 K78 V79	S29-H33 PolarHBondContact O-N 2.83Å; S29-H33 VanDerWaalsContact O-N 3.1Å; L30-H33 PolarHBondContact O-N 2.79Å; R31-H33 PolarHBondContact O-N 3.07Å; H33-E35 PolarHBondContact O-N 3.15Å; H33-Q36 WeakPolarHBondContact O-CB 3.24Å; H33-Q36 VanDerWaalsContact O-CG 3.22Å; H33-Q36 WeakPolarHBondContact O-CG 3.33Å; H33-Q36 PolarHBondContact O-N 3.33Å; H33-Q36 PolarHBondContact O-NE2 3.04Å; H33-W37 AromaticContact CD2-CZ3 3.73Å; H33-W37 WeakPolarHBondContact O-CZ3 3.42Å; H33-H77 AromaticContact CD2-ND1 3.97Å; H33-K78 PolarHBondContact NE2-O 2.85Å; H33-V79 HydrophobicContact CB-CG1 4.48Å; H33-V79 HydrophobicContact CB-CG2 4.26Å
34	F	97.5	Very high	96.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-77.4	-19	-170.2	-80.6	-75.2	0	0	0	114.7	I18 L30 R31 Q36 W37 L40 V60 Y62 H77 V79 V84 P86	I18-F34 HydrophobicContact CD1-CE1 3.98Å; I18-F34 HydrophobicContact CD1-CE2 3.94Å; I18-F34 HydrophobicContact CD1-CZ 3.59Å; I18-F34 HydrophobicContact CG1-CE2 3.94Å; I18-F34 HydrophobicContact CG1-CZ 4.11Å; I18-F34 HydrophobicContact CG2-CE2 3.94Å; I18-F34 HydrophobicContact CG2-CZ 4.07Å; L30-F34 HydrophobicContact CD1-CD2 3.68Å; L30-F34 HydrophobicContact CD1-CE2 3.64Å; L30-F34 HydrophobicContact CG-CD2 4.26Å; L30-F34 WeakPolarHBondContact O-CD2 3.16Å; L30-F34 PolarHBondContact O-N 3.49Å; L30-F34 VanDerWaalsContact O-N 3.08Å; R31-F34 PolarHBondContact O-N 3.3Å; R31-F34 VanDerWaalsContact O-N 3.13Å; F34-Q36 PolarHBondContact O-N 3.1Å; F34-Q36 VanDerWaalsContact O-N 3.12Å; F34-W37 HydrophobicContact CD1-CE3 4.08Å; F34-W37 HydrophobicContact CD1-CZ3 4.1Å; F34-W37 HydrophobicContact CE1-CZ3 4.49Å; F34-W37 PolarHBondContact O-N 2.83Å; F34-L40 HydrophobicContact CB-CD1 3.85Å; F34-V60 HydrophobicContact CB-CG1 4.26Å; F34-V60 HydrophobicContact CB-CG2 4.38Å; F34-V60 HydrophobicContact CD1-CG2 4.45Å; F34-V60 HydrophobicContact CD2-CG1 4.13Å; F34-V60 HydrophobicContact CG-CG1 4.32Å; F34-V60 HydrophobicContact CG-CG2 4.21Å; F34-Y62 WeakPolarHBondContact CB-OH 3.18Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.49Å; F34-Y62 WeakPolarHBondContact O-CE1 3.35Å; F34-Y62 PolarHBondContact O-OH 2.87Å; F34-H77 AromaticContact CE1-CG 3.94Å; F34-H77 AromaticContact CE1-ND1 3.58Å; F34-H77 HydrophobicContact CZ-CB 4.24Å; F34-V79 HydrophobicContact CE2-CG2 3.98Å; F34-V84 HydrophobicContact CZ-CG2 4.3Å; F34-P86 HydrophobicContact CE1-CG 4.49Å; F34-P86 HydrophobicContact CZ-CG 4.33Å
35	E	96.8	Very high	96.6	Very high	86 Å²	86	50 Å²	50	40%	0.402	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-64.1	-11.5	171.5	-78.6	178.3	168.3	0	0	113.8	R31 H33 W37 G38 L40	R31-E35 VanDerWaalsContact CD-OE1 3.28Å; R31-E35 WeakPolarHBondContact CD-OE1 3.39Å; R31-E35 HydrophobicContact CG-CG 3.92Å; R31-E35 WeakPolarHBondContact CG-OE1 3.43Å; R31-E35 WeakPolarHBondContact CG-OE2 3.39Å; R31-E35 IonicContact CZ-OE1 3.65Å; R31-E35 IonicContact NE-OE1 3.88Å; R31-E35 IonicContact NH1-OE1 2.69Å; R31-E35 PolarHBondContact NH1-OE1 3.04Å; R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 WeakPolarHBondContact O-CG 3.44Å; R31-E35 PolarHBondContact O-N 2.89Å; H33-E35 PolarHBondContact O-N 3.15Å; E35-W37 PolarHBondContact O-N 3.48Å; E35-G38 WeakPolarHBondContact CA-O 3.39Å; E35-G38 PolarHBondContact O-N 3.46Å; E35-L40 HydrophobicContact CG-CB 3.91Å; E35-L40 HydrophobicContact CG-CD1 4.01Å; E35-L40 HydrophobicContact CG-CG 3.81Å
36	Q	96.9	Very high	96.7	Very high	123 Å²	123	51.6 Å²	51.6	58%	0.575	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.2	173.3	-65.2	172.1	34.4	0	0	113.8	S32 H33 F34	S32-Q36 PolarHBondContact O-NE2 3.26Å; H33-Q36 WeakPolarHBondContact O-CB 3.24Å; H33-Q36 VanDerWaalsContact O-CG 3.22Å; H33-Q36 WeakPolarHBondContact O-CG 3.33Å; H33-Q36 PolarHBondContact O-N 3.33Å; H33-Q36 PolarHBondContact O-NE2 3.04Å; F34-Q36 PolarHBondContact O-N 3.1Å; F34-Q36 VanDerWaalsContact O-N 3.12Å
37	W	97.4	Very high	96.6	Very high	65 Å²	65	52.9 Å²	52.9	25%	0.246	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-113.6	-0.2	-179.6	-60.4	-79.1	0	0	0	114.3	H33 F34 E35 A70 A71 A74 H77	H33-W37 AromaticContact CD2-CZ3 3.73Å; H33-W37 WeakPolarHBondContact O-CZ3 3.42Å; F34-W37 HydrophobicContact CD1-CE3 4.08Å; F34-W37 HydrophobicContact CD1-CZ3 4.1Å; F34-W37 HydrophobicContact CE1-CZ3 4.49Å; F34-W37 PolarHBondContact O-N 2.83Å; E35-W37 PolarHBondContact O-N 3.48Å; W37-A70 HydrophobicContact CB-CB 4.34Å; W37-A71 HydrophobicContact CB-CB 3.93Å; W37-A71 HydrophobicContact CD2-CB 4.45Å; W37-A71 HydrophobicContact CG-CB 4.17Å; W37-A74 HydrophobicContact CD2-CB 4.41Å; W37-A74 HydrophobicContact CZ2-CB 3.81Å; W37-H77 AromaticContact CD2-CE1 2.98Å; W37-H77 AromaticContact CE2-CE1 3.02Å; W37-H77 AromaticContact CE3-CE1 2.85Å; W37-H77 AromaticContact CG-CE1 3.95Å; W37-H77 AromaticContact CH2-CE1 2.93Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.49Å; W37-H77 AromaticContact CH2-ND1 3.2Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.4Å; W37-H77 AromaticContact CZ2-CE1 3.02Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.08Å; W37-H77 AromaticContact CZ2-ND1 3.88Å; W37-H77 AromaticContact CZ3-CE1 2.83Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.25Å; W37-H77 AromaticContact CZ3-ND1 3.33Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.33Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.48Å; W37-H77 AromaticContact NE1-CE1 3.9Å
38	G	95.8	Very high	96.4	Very high	15 Å²	15	52.6 Å²	52.6	16%	0.155	27%	0.273	C	S	.	.	S	Bend	trans	158.8	177.5	-178.9	0	0	0	0	0	115.4	E35 L40 E67	E35-G38 WeakPolarHBondContact CA-O 3.39Å; E35-G38 PolarHBondContact O-N 3.46Å; G38-L40 PolarHBondContact O-N 3.26Å; G38-E67 VanDerWaalsContact CA-CD 3.46Å; G38-E67 VanDerWaalsContact CA-OE1 3.23Å; G38-E67 WeakPolarHBondContact CA-OE1 3.33Å
39	T	96.6	Very high	96.2	Very high	92 Å²	92	50.4 Å²	50.4	56%	0.564	27%	0.269	S	S	*	.			trans	-82.7	107.4	-173.3	-49.9	0	0	0	0	111.5	T41 Y62 A63 E67	T39-T41 PolarHBondContact O-N 3.15Å; T39-T41 VanDerWaalsContact O-N 3.16Å; T39-Y62 CarbonylContact O-C 3.49Å; T39-A63 PolarHBondContact O-N 2.85Å; T39-E67 VanDerWaalsContact N-CD 3.28Å; T39-E67 PolarHBondContact N-OE1 2.81Å; T39-E67 PolarHBondContact N-OE2 2.93Å; T39-E67 PolarHBondContact OG1-OE1 3.13Å
40	L	96.5	Very high	96.1	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.042	30%	0.295	C	S	.	.			trans	-77	104.5	179	-71.3	-170.6	0	0	0	113.2	R31 F34 E35 G38 D42 C43 V60 T61 Y62	R31-L40 HydrophobicContact CB-CD1 4.49Å; R31-L40 HydrophobicContact CG-CD1 4.36Å; R31-L40 PolarHBondContact NH1-O 2.86Å; F34-L40 HydrophobicContact CB-CD1 3.85Å; E35-L40 HydrophobicContact CG-CB 3.91Å; E35-L40 HydrophobicContact CG-CD1 4.01Å; E35-L40 HydrophobicContact CG-CG 3.81Å; G38-L40 PolarHBondContact O-N 3.26Å; L40-D42 VanDerWaalsContact C-N 3.34Å; L40-C43 HydrophobicContact CD1-CB 4.28Å; L40-V60 HydrophobicContact CD1-CB 4.02Å; L40-V60 HydrophobicContact CD1-CG1 4.06Å; L40-V60 HydrophobicContact CD2-CB 3.83Å; L40-V60 HydrophobicContact CD2-CG2 4.35Å; L40-T61 CarbonylContact C-O 3.58Å; L40-T61 WeakPolarHBondContact CA-O 3.45Å; L40-Y62 HydrophobicContact CD2-CD1 3.61Å; L40-Y62 HydrophobicContact CD2-CD2 4Å; L40-Y62 HydrophobicContact CD2-CE1 3.56Å; L40-Y62 HydrophobicContact CD2-CE2 3.99Å; L40-Y62 HydrophobicContact CD2-CG 3.85Å; L40-Y62 HydrophobicContact CG-CE1 4.27Å
41	T	96.2	Very high	95.9	Very high	81 Å²	81	60.2 Å²	60.2	50%	0.497	32%	0.323	S	S	.	.	S	Bend	trans	-68.8	-29	172.5	62.5	0	0	0	0	113.4	T39 T61 Y62 A63	T39-T41 PolarHBondContact O-N 3.15Å; T39-T41 VanDerWaalsContact O-N 3.16Å; T41-T61 PolarHBondContact N-O 3.35Å; T41-T61 PolarHBondContact OG1-O 2.82Å; T41-Y62 PolarHBondContact OG1-O 2.88Å; T41-A63 HydrophobicContact CG2-CB 4.04Å
42	D	95.8	Very high	95.6	Very high	49 Å²	49	63.1 Å²	63.1	26%	0.262	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	147.8	176.1	173.1	42.5	0	0	0	110.1	K15 L40 T61	K15-D42 IonicContact NZ-OD2 2.71Å; K15-D42 PolarHBondContact NZ-OD2 3.23Å; L40-D42 VanDerWaalsContact C-N 3.34Å; D42-T61 PolarHBondContact N-O 3.04Å; D42-T61 PolarHBondContact O-N 3.41Å
43	C	96.8	Very high	95.3	Very high	13 Å²	13	67.7 Å²	67.7	9%	0.088	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	126.7	180	-176.6	0	0	0	0	109.3	D27 R31 L40 F59	D27-C43 PolarHBondContact O-SG 3.42Å; R31-C43 HydrophobicContact CB-CB 4.21Å; L40-C43 HydrophobicContact CD1-CB 4.28Å; C43-F59 WeakPolarHBondContact CA-O 3.48Å
44	V	96.8	Very high	95.1	Very high	43 Å²	43	65.3 Å²	65.3	26%	0.261	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	128.6	-178.5	57.4	0	0	0	0	112.2	M46 G58 F59	V44-M46 HydrophobicContact CG1-SD 4.4Å; V44-M46 HydrophobicContact CG2-SD 4.18Å; V44-G58 CarbonylContact O-C 3.59Å; V44-G58 WeakPolarHBondContact O-CA 3.29Å; V44-F59 HydrophobicContact CG1-CB 4.25Å; V44-F59 PolarHBondContact N-O 2.9Å; V44-F59 PolarHBondContact O-N 3.16Å
45	V	97.2	Very high	95	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.024	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.6	164.8	-180	0	0	0	0	108.4	L21 T25 T26 D27 L30 R47	L21-V45 HydrophobicContact CD1-CG1 4.08Å; L21-V45 HydrophobicContact CD1-CG2 4.05Å; T25-V45 HydrophobicContact CG2-CG2 3.95Å; T26-V45 WeakPolarHBondContact O-CG2 3.44Å; D27-V45 WeakPolarHBondContact OD1-CB 3.43Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.23Å; D27-V45 PolarHBondContact OD1-N 3.36Å; L30-V45 HydrophobicContact CB-CG2 4.26Å; L30-V45 HydrophobicContact CD2-CG2 3.98Å; V45-R47 PolarHBondContact O-N 3.19Å
46	M	96	Very high	94.9	Very high	32 Å²	32	65.4 Å²	65.4	16%	0.158	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	119.6	179.1	-67.3	-51.1	-51.4	0	0	110	V44 R55 F57 F59 Y318	V44-M46 HydrophobicContact CG1-SD 4.4Å; V44-M46 HydrophobicContact CG2-SD 4.18Å; M46-R55 VanDerWaalsContact O-CB 3.29Å; M46-R55 WeakPolarHBondContact O-CB 3.49Å; M46-R55 WeakPolarHBondContact O-CG 3.41Å; M46-R55 PolarHBondContact O-N 3.32Å; M46-F57 HydrophobicContact CB-CD2 4.13Å; M46-F57 HydrophobicContact CB-CE1 4.2Å; M46-F57 HydrophobicContact CB-CE2 3.65Å; M46-F57 HydrophobicContact CB-CZ 3.67Å; M46-F57 HydrophobicContact CG-CD2 3.99Å; M46-F57 HydrophobicContact CG-CE2 3.37Å; M46-F57 HydrophobicContact CG-CZ 3.82Å; M46-F57 PolarHBondContact N-O 2.98Å; M46-F59 HydrophobicContact CG-CD2 4.22Å; M46-F59 HydrophobicContact CG-CE2 4.13Å; M46-F59 HydrophobicContact SD-CD2 4.42Å; M46-Y318 HydrophobicContact CE-CD1 4.45Å; M46-Y318 HydrophobicContact CE-CE1 3.85Å; M46-Y318 HydrophobicContact SD-CE1 4.21Å
47	R	95.5	Very high	94.8	Very high	78 Å²	78	60.6 Å²	60.6	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	153	179	-66.4	170.9	-166.1	-70.8	-18.4	110.8	T25 D27 V45 K52 R53	T25-R47 PolarHBondContact O-NH2 2.87Å; D27-R47 IonicContact OD1-NH2 3.91Å; V45-R47 PolarHBondContact O-N 3.19Å; R47-K52 WeakPolarHBondContact CD-O 3.17Å; R47-R53 CarbonylContact C-O 3.52Å; R47-R53 VanDerWaalsContact CA-O 3.28Å; R47-R53 WeakPolarHBondContact CA-O 3.4Å
48	D	91.6	Very high	94.8	Very high	48 Å²	48	57.5 Å²	57.5	26%	0.257	30%	0.297	S	S	.	.			trans	-66.4	129.9	168.6	169.9	-99.4	0	0	0	109.6	N50 T51 K52 R53	D48-N50 PolarHBondContact O-N 3.22Å; D48-N50 PolarHBondContact OD1-N 3.18Å; D48-N50 VanDerWaalsContact OD1-N 3.14Å; D48-T51 WeakPolarHBondContact CB-OG1 3.43Å; D48-T51 WeakPolarHBondContact OD1-CB 3.11Å; D48-T51 WeakPolarHBondContact OD1-CG2 3.3Å; D48-T51 PolarHBondContact OD1-N 3.35Å; D48-T51 PolarHBondContact OD1-OG1 2.94Å; D48-K52 VanDerWaalsContact O-CA 3.27Å; D48-K52 WeakPolarHBondContact O-CA 3.25Å; D48-K52 PolarHBondContact O-N 3.23Å; D48-R53 PolarHBondContact N-O 3.26Å
49	P	92.3	Very high	94.9	Very high	81 Å²	81	58.5 Å²	58.5	53%	0.526	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.1	-171.7	25	-35.3	0	0	0	113.6	K52	P49-K52 WeakPolarHBondContact O-CE 3.43Å; P49-K52 PolarHBondContact O-NZ 3.46Å
50	N	93.4	Very high	94.9	Very high	136 Å²	136	54.1 Å²	54.1	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-52.1	-175.2	-54	-59.1	0	0	0	111.5	D48	D48-N50 PolarHBondContact O-N 3.22Å; D48-N50 PolarHBondContact OD1-N 3.18Å; D48-N50 VanDerWaalsContact OD1-N 3.14Å
51	T	93.6	Very high	95	Very high	97 Å²	97	53.8 Å²	53.8	60%	0.595	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.5	-173.7	64.2	0	0	0	0	114	D48 R53	D48-T51 WeakPolarHBondContact CB-OG1 3.43Å; D48-T51 WeakPolarHBondContact OD1-CB 3.11Å; D48-T51 WeakPolarHBondContact OD1-CG2 3.3Å; D48-T51 PolarHBondContact OD1-N 3.35Å; D48-T51 PolarHBondContact OD1-OG1 2.94Å; T51-R53 PolarHBondContact O-N 3.33Å
52	K	90.7	Very high	95	Very high	139 Å²	139	49.9 Å²	49.9	60%	0.604	25%	0.245	S	C	*	.			trans	59.1	5.3	-174.8	-48	-52.7	-174.4	-169.8	0	115.6	R47 D48 P49	R47-K52 WeakPolarHBondContact CD-O 3.17Å; D48-K52 VanDerWaalsContact O-CA 3.27Å; D48-K52 WeakPolarHBondContact O-CA 3.25Å; D48-K52 PolarHBondContact O-N 3.23Å; P49-K52 WeakPolarHBondContact O-CE 3.43Å; P49-K52 PolarHBondContact O-NZ 3.46Å
53	R	90.7	Very high	95	Very high	178 Å²	178	49.4 Å²	49.4	67%	0.672	25%	0.247	S	C	*	.			trans	-64.4	139.9	173.5	-171.8	178.9	-69.8	-172	-2.1	109.8	R47 D48 T51	R47-R53 CarbonylContact C-O 3.52Å; R47-R53 VanDerWaalsContact CA-O 3.28Å; R47-R53 WeakPolarHBondContact CA-O 3.4Å; D48-R53 PolarHBondContact N-O 3.26Å; T51-R53 PolarHBondContact O-N 3.33Å
54	S	93.3	Very high	94.9	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	138.1	170.4	166.8	0	0	0	0	110.7	S22 F23 G56	S22-S54 PolarHBondContact O-OG 2.62Å; F23-S54 WeakPolarHBondContact CD1-O 3.47Å; F23-S54 WeakPolarHBondContact O-CB 3.49Å; S54-G56 PolarHBondContact O-N 2.93Å; S54-G56 PolarHBondContact OG-N 2.77Å
55	R	94.1	Very high	94.8	Very high	79 Å²	79	50.1 Å²	50.1	30%	0.298	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	4.9	172.7	-62.7	176.8	66.5	-167.7	-2.1	112.3	M46 F57 D314	M46-R55 VanDerWaalsContact O-CB 3.29Å; M46-R55 WeakPolarHBondContact O-CB 3.49Å; M46-R55 WeakPolarHBondContact O-CG 3.41Å; M46-R55 PolarHBondContact O-N 3.32Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-F57 HydrophobicContact CB-CD1 3.85Å; R55-F57 HydrophobicContact CB-CE1 3.63Å; R55-D314 PolarHBondContact NH2-O 3.02Å; R55-D314 VanDerWaalsContact NH2-O 3.11Å
56	G	94.8	Very high	94.6	Very high	8 Å²	8	57.3 Å²	57.3	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.6	16.9	-179.3	0	0	0	0	0	114.3	G20 L21 S54	G20-G56 CarbonylContact C-O 3.59Å; G20-G56 WeakPolarHBondContact CA-O 3.3Å; G20-G56 PolarHBondContact N-O 3.37Å; L21-G56 PolarHBondContact N-O 3.39Å; S54-G56 PolarHBondContact O-N 2.93Å; S54-G56 PolarHBondContact OG-N 2.77Å
57	F	96.3	Very high	94.7	Very high	22 Å²	22	57.4 Å²	57.4	10%	0.096	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.8	174.9	76.2	-89.7	0	0	0	111.6	F17 I18 L21 M46 R55 F59 Y318	F17-F57 HydrophobicContact CD2-CD2 4.06Å; F17-F57 HydrophobicContact CE2-CB 3.94Å; F17-F57 AromaticContact CE2-CD2 3.43Å; F17-F57 HydrophobicContact CE2-CD2 3.43Å; F17-F57 VanDerWaalsContact CE2-CD2 3.43Å; F17-F57 HydrophobicContact CE2-CE2 4.1Å; F17-F57 AromaticContact CE2-CG 3.83Å; F17-F57 HydrophobicContact CE2-CG 3.83Å; F17-F57 HydrophobicContact CZ-CB 3.97Å; F17-F57 HydrophobicContact CZ-CD2 4.27Å; F17-F57 HydrophobicContact CZ-CG 4.24Å; I18-F57 CarbonylContact O-C 3.51Å; I18-F57 WeakPolarHBondContact O-CA 3.15Å; I18-F57 WeakPolarHBondContact O-CB 3.21Å; L21-F57 VanDerWaalsContact CD1-C 3.46Å; M46-F57 HydrophobicContact CB-CD2 4.13Å; M46-F57 HydrophobicContact CB-CE1 4.2Å; M46-F57 HydrophobicContact CB-CE2 3.65Å; M46-F57 HydrophobicContact CB-CZ 3.67Å; M46-F57 HydrophobicContact CG-CD2 3.99Å; M46-F57 HydrophobicContact CG-CE2 3.37Å; M46-F57 HydrophobicContact CG-CZ 3.82Å; M46-F57 PolarHBondContact N-O 2.98Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-F57 HydrophobicContact CB-CD1 3.85Å; R55-F57 HydrophobicContact CB-CE1 3.63Å; F57-F59 HydrophobicContact CE2-CE2 4.07Å; F57-Y318 WeakPolarHBondContact CE2-OH 3.4Å; F57-Y318 VanDerWaalsContact CZ-OH 3.25Å; F57-Y318 WeakPolarHBondContact CZ-OH 2.98Å
58	G	96.9	Very high	94.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	-172.9	178.5	0	0	0	0	0	112.7	I18 V44	I18-G58 PolarHBondContact N-O 3.37Å; I18-G58 PolarHBondContact O-N 3.36Å; V44-G58 CarbonylContact O-C 3.59Å; V44-G58 WeakPolarHBondContact O-CA 3.29Å
59	F	97.5	Very high	94.9	Very high	36 Å²	36	53.7 Å²	53.7	16%	0.158	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.7	173	-62.6	-87.6	0	0	0	110.9	K15 L16 F17 C43 V44 M46 F57 A89 Y318	K15-F59 HydrophobicContact CG-CB 4.43Å; K15-F59 HydrophobicContact CG-CD1 4.4Å; L16-F59 VanDerWaalsContact O-CA 3.25Å; L16-F59 WeakPolarHBondContact O-CA 3.37Å; F17-F59 HydrophobicContact CB-CD1 4.15Å; F17-F59 HydrophobicContact CB-CE1 3.91Å; F17-F59 AromaticContact CD2-CE1 3.89Å; F17-F59 HydrophobicContact CD2-CE1 3.89Å; F17-F59 HydrophobicContact CD2-CZ 4.01Å; F17-F59 HydrophobicContact CG-CE1 4.41Å; C43-F59 WeakPolarHBondContact CA-O 3.48Å; V44-F59 HydrophobicContact CG1-CB 4.25Å; V44-F59 PolarHBondContact N-O 2.9Å; V44-F59 PolarHBondContact O-N 3.16Å; M46-F59 HydrophobicContact CG-CD2 4.22Å; M46-F59 HydrophobicContact CG-CE2 4.13Å; M46-F59 HydrophobicContact SD-CD2 4.42Å; F57-F59 HydrophobicContact CE2-CE2 4.07Å; F59-A89 HydrophobicContact CD1-CB 4.42Å; F59-A89 HydrophobicContact CE1-CB 4.37Å; F59-Y318 HydrophobicContact CE2-CE1 4.37Å
60	V	97.6	Very high	95.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.3	169.7	-58.9	0	0	0	0	109.2	K15 L16 I18 L30 F34 L40 Y62	K15-V60 CarbonylContact C-O 3.53Å; K15-V60 WeakPolarHBondContact CA-O 3.27Å; L16-V60 HydrophobicContact CB-CG2 3.89Å; L16-V60 HydrophobicContact CD1-CG2 4.44Å; L16-V60 PolarHBondContact N-O 3.27Å; L16-V60 PolarHBondContact O-N 3Å; L16-V60 VanDerWaalsContact O-N 3.07Å; I18-V60 HydrophobicContact CD1-CG2 4.01Å; I18-V60 HydrophobicContact CG1-CG1 4.3Å; I18-V60 HydrophobicContact CG1-CG2 4.11Å; L30-V60 HydrophobicContact CD1-CG1 4.48Å; L30-V60 HydrophobicContact CD2-CG1 3.91Å; L30-V60 HydrophobicContact CG-CG1 3.86Å; F34-V60 HydrophobicContact CB-CG1 4.26Å; F34-V60 HydrophobicContact CB-CG2 4.38Å; F34-V60 HydrophobicContact CD1-CG2 4.45Å; F34-V60 HydrophobicContact CD2-CG1 4.13Å; F34-V60 HydrophobicContact CG-CG1 4.32Å; F34-V60 HydrophobicContact CG-CG2 4.21Å; L40-V60 HydrophobicContact CD1-CB 4.02Å; L40-V60 HydrophobicContact CD1-CG1 4.06Å; L40-V60 HydrophobicContact CD2-CB 3.83Å; L40-V60 HydrophobicContact CD2-CG2 4.35Å; V60-Y62 HydrophobicContact CG2-CE2 4.13Å
61	T	97.2	Very high	95.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	112.4	-176.9	-41.8	0	0	0	0	110.9	E11 R14 K15 L40 T41 D42	E11-T61 HydrophobicContact CG-CG2 3.66Å; R14-T61 HydrophobicContact CB-CG2 4.3Å; R14-T61 CarbonylContact O-C 3.59Å; R14-T61 WeakPolarHBondContact O-CA 3.2Å; K15-T61 HydrophobicContact CB-CG2 4.14Å; K15-T61 WeakPolarHBondContact CE-OG1 3.44Å; K15-T61 HydrophobicContact CG-CG2 4.4Å; K15-T61 WeakPolarHBondContact CG-OG1 3.48Å; K15-T61 PolarHBondContact NZ-OG1 3.04Å; L40-T61 CarbonylContact C-O 3.58Å; L40-T61 WeakPolarHBondContact CA-O 3.45Å; T41-T61 PolarHBondContact N-O 3.35Å; T41-T61 PolarHBondContact OG1-O 2.82Å; D42-T61 PolarHBondContact N-O 3.04Å; D42-T61 PolarHBondContact O-N 3.41Å
62	Y	97.7	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.			trans	-78.1	169.5	-179.7	-74.9	-78	0	0	0	113	R14 L16 F34 T39 L40 T41 V60 E67 V68 A71	R14-Y62 PolarHBondContact NH1-O 3.39Å; R14-Y62 PolarHBondContact O-N 2.99Å; L16-Y62 HydrophobicContact CD1-CE2 4.14Å; F34-Y62 WeakPolarHBondContact CB-OH 3.18Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.49Å; F34-Y62 WeakPolarHBondContact O-CE1 3.35Å; F34-Y62 PolarHBondContact O-OH 2.87Å; T39-Y62 CarbonylContact O-C 3.49Å; L40-Y62 HydrophobicContact CD2-CD1 3.61Å; L40-Y62 HydrophobicContact CD2-CD2 4Å; L40-Y62 HydrophobicContact CD2-CE1 3.56Å; L40-Y62 HydrophobicContact CD2-CE2 3.99Å; L40-Y62 HydrophobicContact CD2-CG 3.85Å; L40-Y62 HydrophobicContact CG-CE1 4.27Å; T41-Y62 PolarHBondContact OG1-O 2.88Å; V60-Y62 HydrophobicContact CG2-CE2 4.13Å; Y62-E67 HydrophobicContact CD1-CB 3.55Å; Y62-E67 HydrophobicContact CD1-CG 4.42Å; Y62-E67 HydrophobicContact CE1-CB 4.31Å; Y62-E67 HydrophobicContact CG-CB 3.76Å; Y62-V68 HydrophobicContact CD2-CG2 3.83Å; Y62-V68 HydrophobicContact CG-CG2 4.34Å; Y62-A71 HydrophobicContact CE2-CB 3.9Å; Y62-A71 WeakPolarHBondContact OH-CB 3.34Å
63	A	95.4	Very high	95.6	Very high	38 Å²	38	40.1 Å²	40.1	31%	0.314	20%	0.202	S	C	.	.	S	Bend	trans	-81	-29.5	176.9	0	0	0	0	0	112.5	R14 T39 T41 E67	R14-A63 WeakPolarHBondContact CD-O 3.24Å; T39-A63 PolarHBondContact O-N 2.85Å; T41-A63 HydrophobicContact CG2-CB 4.04Å; A63-E67 WeakPolarHBondContact CA-OE2 3.41Å; A63-E67 WeakPolarHBondContact CB-OE2 3.05Å; A63-E67 PolarHBondContact N-OE2 3.12Å
64	T	94.6	Very high	95.9	Very high	45 Å²	45	33.2 Å²	33.2	28%	0.276	18%	0.184	S	C	.	.	S	Bend	trans	-130.4	166.9	172	70.5	0	0	0	0	112.6	E9 E66 E67	E9-T64 VanDerWaalsContact OE2-CA 3.29Å; E9-T64 WeakPolarHBondContact OE2-CA 3.47Å; T64-E66 VanDerWaalsContact C-N 3.34Å; T64-E66 PolarHBondContact OG1-N 3.35Å; T64-E67 PolarHBondContact N-OE2 3.1Å; T64-E67 VanDerWaalsContact N-OE2 3.12Å; T64-E67 WeakPolarHBondContact OG1-CG 3.37Å; T64-E67 PolarHBondContact OG1-N 3.19Å
65	V	93.9	Very high	96	Very high	26 Å²	26	36 Å²	36	16%	0.158	19%	0.194	C	C	.	.	H	α-helix	trans	-72.1	-28.6	169.6	176.6	0	0	0	0	111.5	E9 L13 R14 E67 V68 D69	E9-V65 HydrophobicContact CB-CG2 4.2Å; E9-V65 HydrophobicContact CG-CG2 4.42Å; E9-V65 WeakPolarHBondContact OE1-CB 3.43Å; E9-V65 WeakPolarHBondContact OE1-CG2 3.48Å; E9-V65 PolarHBondContact OE2-N 2.83Å; L13-V65 HydrophobicContact CB-CG2 3.59Å; R14-V65 HydrophobicContact CG-CG2 3.75Å; V65-E67 VanDerWaalsContact C-N 3.28Å; V65-E67 PolarHBondContact O-N 2.81Å; V65-V68 WeakPolarHBondContact O-CA 3.43Å; V65-V68 VanDerWaalsContact O-CB 3.29Å; V65-V68 WeakPolarHBondContact O-CB 3.48Å; V65-V68 PolarHBondContact O-N 2.99Å; V65-D69 PolarHBondContact O-N 3.36Å
66	E	94.7	Very high	96.1	Very high	155 Å²	155	37.5 Å²	37.5	72%	0.724	21%	0.214	S	C	*	.	H	α-helix	trans	-59.6	-38.3	175.4	-57.8	176.8	151.9	0	0	112.1	T64 D69 A70	T64-E66 VanDerWaalsContact C-N 3.34Å; T64-E66 PolarHBondContact OG1-N 3.35Å; E66-D69 PolarHBondContact O-N 3.42Å; E66-A70 WeakPolarHBondContact O-CB 3.42Å; E66-A70 PolarHBondContact O-N 3.21Å
67	E	96.6	Very high	96.2	Very high	34 Å²	34	37.3 Å²	37.3	16%	0.159	21%	0.21	C	C	.	.	H	α-helix	trans	-67.7	-34.1	173.8	-68.2	175.5	147	0	0	112.3	G38 T39 Y62 A63 T64 V65 A71	G38-E67 VanDerWaalsContact CA-CD 3.46Å; G38-E67 VanDerWaalsContact CA-OE1 3.23Å; G38-E67 WeakPolarHBondContact CA-OE1 3.33Å; T39-E67 VanDerWaalsContact N-CD 3.28Å; T39-E67 PolarHBondContact N-OE1 2.81Å; T39-E67 PolarHBondContact N-OE2 2.93Å; T39-E67 PolarHBondContact OG1-OE1 3.13Å; Y62-E67 HydrophobicContact CD1-CB 3.55Å; Y62-E67 HydrophobicContact CD1-CG 4.42Å; Y62-E67 HydrophobicContact CE1-CB 4.31Å; Y62-E67 HydrophobicContact CG-CB 3.76Å; A63-E67 WeakPolarHBondContact CA-OE2 3.41Å; A63-E67 WeakPolarHBondContact CB-OE2 3.05Å; A63-E67 PolarHBondContact N-OE2 3.12Å; T64-E67 PolarHBondContact N-OE2 3.1Å; T64-E67 VanDerWaalsContact N-OE2 3.12Å; T64-E67 WeakPolarHBondContact OG1-CG 3.37Å; T64-E67 PolarHBondContact OG1-N 3.19Å; V65-E67 VanDerWaalsContact C-N 3.28Å; V65-E67 PolarHBondContact O-N 2.81Å; E67-A71 PolarHBondContact O-N 3.27Å
68	V	96.2	Very high	96.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-45.5	170.6	178.9	0	0	0	0	110.6	R14 L16 Y62 V65 A71 M72	R14-V68 WeakPolarHBondContact O-CG2 3.36Å; L16-V68 HydrophobicContact CD1-CG1 4.35Å; L16-V68 HydrophobicContact CD2-CG1 3.55Å; L16-V68 HydrophobicContact CG-CG1 3.92Å; Y62-V68 HydrophobicContact CD2-CG2 3.83Å; Y62-V68 HydrophobicContact CG-CG2 4.34Å; V65-V68 WeakPolarHBondContact O-CA 3.43Å; V65-V68 VanDerWaalsContact O-CB 3.29Å; V65-V68 WeakPolarHBondContact O-CB 3.48Å; V65-V68 PolarHBondContact O-N 2.99Å; V68-A71 PolarHBondContact O-N 3.22Å; V68-M72 HydrophobicContact CG1-CG 4.15Å; V68-M72 WeakPolarHBondContact O-CB 3.38Å; V68-M72 WeakPolarHBondContact O-CG 3.24Å; V68-M72 PolarHBondContact O-N 2.63Å
69	D	95.1	Very high	96.2	Very high	49 Å²	49	42.2 Å²	42.2	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-40.4	-179.5	-75.6	22	0	0	0	110.7	V65 E66 A71 M72 N73 R88	V65-D69 PolarHBondContact O-N 3.36Å; E66-D69 PolarHBondContact O-N 3.42Å; D69-A71 PolarHBondContact O-N 2.87Å; D69-M72 PolarHBondContact O-N 2.88Å; D69-N73 VanDerWaalsContact O-CB 3.3Å; D69-N73 WeakPolarHBondContact O-CB 3.22Å; D69-N73 PolarHBondContact O-N 3Å; D69-N73 PolarHBondContact O-ND2 3.45Å; D69-R88 IonicContact OD1-CZ 3.77Å; D69-R88 IonicContact OD1-NH1 3.79Å; D69-R88 PolarHBondContact OD1-NH1 3.45Å; D69-R88 IonicContact OD1-NH2 2.74Å; D69-R88 PolarHBondContact OD1-NH2 3.17Å
70	A	96.3	Very high	96.1	Very high	42 Å²	42	43.8 Å²	43.8	35%	0.347	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-45.6	172.1	0	0	0	0	0	112.1	W37 E66 N73 A74	W37-A70 HydrophobicContact CB-CB 4.34Å; E66-A70 WeakPolarHBondContact O-CB 3.42Å; E66-A70 PolarHBondContact O-N 3.21Å; A70-N73 PolarHBondContact O-N 2.99Å; A70-A74 PolarHBondContact O-N 2.79Å
71	A	97.3	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-46.2	175.2	0	0	0	0	0	111.9	L16 W37 Y62 E67 V68 D69 N73 A74 H77	L16-A71 HydrophobicContact CD1-CB 4.17Å; W37-A71 HydrophobicContact CB-CB 3.93Å; W37-A71 HydrophobicContact CD2-CB 4.45Å; W37-A71 HydrophobicContact CG-CB 4.17Å; Y62-A71 HydrophobicContact CE2-CB 3.9Å; Y62-A71 WeakPolarHBondContact OH-CB 3.34Å; E67-A71 PolarHBondContact O-N 3.27Å; V68-A71 PolarHBondContact O-N 3.22Å; D69-A71 PolarHBondContact O-N 2.87Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.83Å; A71-A74 PolarHBondContact O-N 2.94Å; A71-H77 PolarHBondContact O-CE1 3.31Å; A71-H77 VanDerWaalsContact O-CE1 3.29Å; A71-H77 CovalentContact O-NE2 1.8Å; A71-H77 PolarHBondContact O-NE2 3.28Å
72	M	96.1	Very high	95.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-31.4	179.2	-71.1	-59.8	-74.1	0	0	112.3	L16 V68 D69 A74 R75 P86 D157	L16-M72 HydrophobicContact CD1-CG 4.35Å; L16-M72 HydrophobicContact CD1-SD 4.06Å; L16-M72 HydrophobicContact CD2-CG 3.9Å; L16-M72 HydrophobicContact CD2-SD 3.6Å; L16-M72 VanDerWaalsContact CD2-SD 3.6Å; V68-M72 HydrophobicContact CG1-CG 4.15Å; V68-M72 WeakPolarHBondContact O-CB 3.38Å; V68-M72 WeakPolarHBondContact O-CG 3.24Å; V68-M72 PolarHBondContact O-N 2.63Å; D69-M72 PolarHBondContact O-N 2.88Å; M72-A74 VanDerWaalsContact C-N 3.29Å; M72-A74 PolarHBondContact O-N 2.69Å; M72-R75 VanDerWaalsContact O-CZ 3.27Å; M72-R75 PolarHBondContact O-NE 3.14Å; M72-R75 PolarHBondContact O-NH2 3.06Å; M72-P86 HydrophobicContact SD-CB 3.8Å; M72-D157 HydrophobicContact CE-CB 3.81Å; M72-D157 WeakPolarHBondContact CE-OD1 3.44Å
73	N	95.4	Very high	95.8	Very high	124 Å²	124	57.1 Å²	57.1	66%	0.663	32%	0.322	S	S	*	.	H	α-helix	trans	-74.7	-16.6	174.5	-70.1	-30.6	0	0	0	113.4	D69 A70 A71	D69-N73 VanDerWaalsContact O-CB 3.3Å; D69-N73 WeakPolarHBondContact O-CB 3.22Å; D69-N73 PolarHBondContact O-N 3Å; D69-N73 PolarHBondContact O-ND2 3.45Å; A70-N73 PolarHBondContact O-N 2.99Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.83Å
74	A	96.5	Very high	95.9	Very high	34 Å²	34	55.8 Å²	55.8	28%	0.281	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	10.3	177.5	0	0	0	0	0	114.7	W37 A70 A71 M72 H77	W37-A74 HydrophobicContact CD2-CB 4.41Å; W37-A74 HydrophobicContact CZ2-CB 3.81Å; A70-A74 PolarHBondContact O-N 2.79Å; A71-A74 PolarHBondContact O-N 2.94Å; M72-A74 VanDerWaalsContact C-N 3.29Å; M72-A74 PolarHBondContact O-N 2.69Å; A74-H77 VanDerWaalsContact C-NE2 3.32Å
75	R	95.6	Very high	95.9	Very high	62 Å²	62	57.1 Å²	57.1	23%	0.234	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-62.2	144.6	172	-81	172.2	-66.9	141.4	14.4	110.8	M72 H77 P86 D155 H156	M72-R75 VanDerWaalsContact O-CZ 3.27Å; M72-R75 PolarHBondContact O-NE 3.14Å; M72-R75 PolarHBondContact O-NH2 3.06Å; R75-H77 PolarHBondContact N-NE2 3.34Å; R75-P86 HydrophobicContact CG-CG 3.99Å; R75-D155 IonicContact CZ-OD1 3.56Å; R75-D155 IonicContact CZ-OD2 3.82Å; R75-D155 VanDerWaalsContact CZ-OD2 3.24Å; R75-D155 VanDerWaalsContact NH1-CG 3.26Å; R75-D155 IonicContact NH1-OD1 2.6Å; R75-D155 PolarHBondContact NH1-OD1 3.1Å; R75-D155 IonicContact NH1-OD2 2.87Å; R75-D155 PolarHBondContact NH1-OD2 2.94Å; R75-D155 IonicContact NH2-OD1 2.66Å; R75-D155 IonicContact NH2-OD2 3.8Å; R75-D155 PolarHBondContact NH2-OD2 2.76Å; R75-H156 PolarHBondContact NH1-CD2 3.45Å; R75-H156 PolarHBondContact NH1-NE2 2.8Å
76	P	95.9	Very high	96	Very high	111 Å²	111	56 Å²	56	72%	0.721	31%	0.306	S	S	*	.	S	Bend	cis	-85.6	134.2	3.7	33.1	-34	0	0	0	113.6	V83	P76-V83 HydrophobicContact CB-CG1 4.27Å
77	H	97.3	Very high	96	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.014	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-85.5	149.1	176.6	-67.3	-98.5	0	0	0	111.5	H33 F34 W37 A71 A74 R75 V83 V84 P86	H33-H77 AromaticContact CD2-ND1 3.97Å; F34-H77 AromaticContact CE1-CG 3.94Å; F34-H77 AromaticContact CE1-ND1 3.58Å; F34-H77 HydrophobicContact CZ-CB 4.24Å; W37-H77 AromaticContact CD2-CE1 2.98Å; W37-H77 AromaticContact CE2-CE1 3.02Å; W37-H77 AromaticContact CE3-CE1 2.85Å; W37-H77 AromaticContact CG-CE1 3.95Å; W37-H77 AromaticContact CH2-CE1 2.93Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.49Å; W37-H77 AromaticContact CH2-ND1 3.2Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.4Å; W37-H77 AromaticContact CZ2-CE1 3.02Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.08Å; W37-H77 AromaticContact CZ2-ND1 3.88Å; W37-H77 AromaticContact CZ3-CE1 2.83Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.25Å; W37-H77 AromaticContact CZ3-ND1 3.33Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.33Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.48Å; W37-H77 AromaticContact NE1-CE1 3.9Å; A71-H77 PolarHBondContact O-CE1 3.31Å; A71-H77 VanDerWaalsContact O-CE1 3.29Å; A71-H77 CovalentContact O-NE2 1.8Å; A71-H77 PolarHBondContact O-NE2 3.28Å; A74-H77 VanDerWaalsContact C-NE2 3.32Å; R75-H77 PolarHBondContact N-NE2 3.34Å; H77-V83 WeakPolarHBondContact O-CA 3.47Å; H77-V84 HydrophobicContact CB-CG2 3.57Å; H77-V84 PolarHBondContact O-N 3.16Å; H77-P86 HydrophobicContact CB-CG 4.48Å
78	K	96.8	Very high	95.9	Very high	124 Å²	124	48.7 Å²	48.7	54%	0.539	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	104.9	177.6	-172.4	-179	-179.3	-177.6	0	110.4	H33 G81 R82	H33-K78 PolarHBondContact NE2-O 2.85Å; K78-G81 VanDerWaalsContact CE-C 3.49Å; K78-G81 WeakPolarHBondContact CE-O 3.32Å; K78-R82 CarbonylContact C-O 3.48Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.31Å
79	V	96.2	Very high	95.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131	-178.6	-171	0	0	0	0	108.5	T25 L30 H33 F34 G81 R82 V84	T25-V79 HydrophobicContact CG2-CG1 4.06Å; L30-V79 HydrophobicContact CD1-CG1 4.46Å; H33-V79 HydrophobicContact CB-CG1 4.48Å; H33-V79 HydrophobicContact CB-CG2 4.26Å; F34-V79 HydrophobicContact CE2-CG2 3.98Å; V79-G81 VanDerWaalsContact C-N 3.26Å; V79-G81 PolarHBondContact O-N 3.14Å; V79-G81 VanDerWaalsContact O-N 3.16Å; V79-R82 PolarHBondContact N-O 2.88Å; V79-R82 PolarHBondContact O-N 2.86Å; V79-R82 VanDerWaalsContact O-O 3.08Å; V79-V84 HydrophobicContact CB-CG1 3.94Å; V79-V84 HydrophobicContact CG2-CG1 3.87Å; V79-V84 HydrophobicContact CG2-CG2 3.86Å
80	D	95.2	Very high	95.6	Very high	70 Å²	70	48.3 Å²	48.3	37%	0.374	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	47.7	178	-52.8	-40	0	0	0	113.5	T25 S29 R82	T25-D80 WeakPolarHBondContact CA-OD2 3.44Å; T25-D80 WeakPolarHBondContact CB-OD2 3.21Å; T25-D80 VanDerWaalsContact CG2-OD2 3.3Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.3Å; T25-D80 PolarHBondContact OG1-OD2 2.75Å; S29-D80 WeakPolarHBondContact CB-OD1 3.43Å; S29-D80 PolarHBondContact OG-OD1 3.33Å; S29-D80 PolarHBondContact OG-OD2 3.26Å; D80-R82 PolarHBondContact O-N 3.08Å
81	G	94.4	Very high	95.1	Very high	61 Å²	61	47.1 Å²	47.1	63%	0.629	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-11.7	-179.4	0	0	0	0	0	115.7	K78 V79	K78-G81 VanDerWaalsContact CE-C 3.49Å; K78-G81 WeakPolarHBondContact CE-O 3.32Å; V79-G81 VanDerWaalsContact C-N 3.26Å; V79-G81 PolarHBondContact O-N 3.14Å; V79-G81 VanDerWaalsContact O-N 3.16Å
82	R	95.9	Very high	94.4	Very high	123 Å²	123	53.5 Å²	53.5	46%	0.464	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.2	-172.7	-170.9	168.9	173.9	101.6	0	112.1	G20 K78 V79 D80	G20-R82 WeakPolarHBondContact O-CD 3.46Å; G20-R82 PolarHBondContact O-NE 3.26Å; K78-R82 CarbonylContact C-O 3.48Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.31Å; V79-R82 PolarHBondContact N-O 2.88Å; V79-R82 PolarHBondContact O-N 2.86Å; V79-R82 VanDerWaalsContact O-O 3.08Å; D80-R82 PolarHBondContact O-N 3.08Å
83	V	96.8	Very high	93.9	Very high	97 Å²	97	59.9 Å²	59.9	59%	0.588	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.8	172.9	-179	0	0	0	0	108.9	P76 H77	P76-V83 HydrophobicContact CB-CG1 4.27Å; H77-V83 WeakPolarHBondContact O-CA 3.47Å
84	V	96.9	Very high	93.3	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.055	29%	0.292	C	S	.	.			trans	-111.7	160.3	-176.8	-56.6	0	0	0	0	111	I18 G19 L21 F34 H77 V79 P86	I18-V84 HydrophobicContact CG2-CB 3.88Å; I18-V84 HydrophobicContact CG2-CG1 4.46Å; I18-V84 HydrophobicContact CG2-CG2 3.83Å; G19-V84 WeakPolarHBondContact O-CA 3.18Å; G19-V84 WeakPolarHBondContact O-CB 3.44Å; L21-V84 HydrophobicContact CD2-CB 4.42Å; L21-V84 HydrophobicContact CD2-CG1 3.75Å; F34-V84 HydrophobicContact CZ-CG2 4.3Å; H77-V84 HydrophobicContact CB-CG2 3.57Å; H77-V84 PolarHBondContact O-N 3.16Å; V79-V84 HydrophobicContact CB-CG1 3.94Å; V79-V84 HydrophobicContact CG2-CG1 3.87Å; V79-V84 HydrophobicContact CG2-CG2 3.86Å; V84-P86 WeakPolarHBondContact O-CD 3.17Å
85	E	94.8	Very high	92.8	Very high	74 Å²	74	55.8 Å²	55.8	35%	0.346	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	90.7	-179.4	-165	-168.6	-168.1	0	0	109.9	G19 K87 T103	G19-E85 PolarHBondContact N-O 3.42Å; G19-E85 PolarHBondContact O-N 3.14Å; E85-K87 WeakPolarHBondContact OE1-CE 3.46Å; E85-K87 IonicContact OE1-NZ 2.75Å; E85-K87 PolarHBondContact OE1-NZ 2.79Å; E85-K87 WeakPolarHBondContact OE2-CE 3.21Å; E85-K87 IonicContact OE2-NZ 3.58Å; E85-K87 PolarHBondContact OE2-NZ 2.6Å; E85-T103 PolarHBondContact OE1-OG1 2.66Å
86	P	96.4	Very high	92.2	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.7	172.4	-10.5	26.5	0	0	0	111	L16 F17 I18 F34 M72 R75 H77 V84	L16-P86 HydrophobicContact CD1-CB 4.4Å; F17-P86 CarbonylContact O-C 3.55Å; F17-P86 WeakPolarHBondContact O-CA 3.42Å; I18-P86 HydrophobicContact CD1-CB 3.79Å; I18-P86 HydrophobicContact CD1-CG 4.36Å; F34-P86 HydrophobicContact CE1-CG 4.49Å; F34-P86 HydrophobicContact CZ-CG 4.33Å; M72-P86 HydrophobicContact SD-CB 3.8Å; R75-P86 HydrophobicContact CG-CG 3.99Å; H77-P86 HydrophobicContact CB-CG 4.48Å; V84-P86 WeakPolarHBondContact O-CD 3.17Å
87	K	95.4	Very high	91.6	Very high	22 Å²	22	58.6 Å²	58.6	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.3	172.3	-54.9	178.1	-163.4	178.8	0	108.7	L16 F17 E85 A89 T103	L16-K87 CarbonylContact C-O 3.55Å; L16-K87 WeakPolarHBondContact CA-O 3.31Å; L16-K87 WeakPolarHBondContact CD2-O 3.28Å; F17-K87 HydrophobicContact CD1-CB 4.49Å; F17-K87 PolarHBondContact N-O 2.69Å; F17-K87 PolarHBondContact O-N 2.88Å; E85-K87 WeakPolarHBondContact OE1-CE 3.46Å; E85-K87 IonicContact OE1-NZ 2.75Å; E85-K87 PolarHBondContact OE1-NZ 2.79Å; E85-K87 WeakPolarHBondContact OE2-CE 3.21Å; E85-K87 IonicContact OE2-NZ 3.58Å; E85-K87 PolarHBondContact OE2-NZ 2.6Å; K87-A89 PolarHBondContact O-N 3.03Å; K87-T103 VanDerWaalsContact CE-OG1 3.28Å; K87-T103 WeakPolarHBondContact CE-OG1 3.28Å; K87-T103 PolarHBondContact NZ-OG1 2.83Å
88	R	94.1	Very high	90.9	Very high	13 Å²	13	61 Å²	61	5%	0.049	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	137.5	169.6	-55.1	-164.5	-175.2	-118.2	-6.6	109.6	L16 D69 V90 D157 D160 I164	L16-R88 HydrophobicContact CD2-CG 4.19Å; D69-R88 IonicContact OD1-CZ 3.77Å; D69-R88 IonicContact OD1-NH1 3.79Å; D69-R88 PolarHBondContact OD1-NH1 3.45Å; D69-R88 IonicContact OD1-NH2 2.74Å; D69-R88 PolarHBondContact OD1-NH2 3.17Å; R88-V90 PolarHBondContact O-N 3.34Å; R88-D157 IonicContact CZ-OD1 3.24Å; R88-D157 VanDerWaalsContact CZ-OD1 3.3Å; R88-D157 IonicContact CZ-OD2 2.97Å; R88-D157 IonicContact NE-OD1 2.76Å; R88-D157 PolarHBondContact NE-OD1 3.44Å; R88-D157 IonicContact NE-OD2 3.98Å; R88-D157 VanDerWaalsContact NH2-CG 3.31Å; R88-D157 IonicContact NH2-OD1 2.88Å; R88-D157 PolarHBondContact NH2-OD1 3.13Å; R88-D157 IonicContact NH2-OD2 3.37Å; R88-D157 PolarHBondContact NH2-OD2 2.59Å; R88-D160 HydrophobicContact CB-CB 4.24Å; R88-D160 HydrophobicContact CG-CB 4.25Å; R88-I164 HydrophobicContact CB-CD1 4.26Å
89	A	93.3	Very high	90.2	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.033	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-64.3	133.2	177.9	0	0	0	0	0	109	Q12 K15 F59 K87	Q12-A89 PolarHBondContact NE2-O 3.06Å; K15-A89 HydrophobicContact CB-CB 3.94Å; K15-A89 HydrophobicContact CG-CB 4.06Å; K15-A89 WeakPolarHBondContact O-CB 3.18Å; K15-A89 PolarHBondContact O-N 3.36Å; F59-A89 HydrophobicContact CD1-CB 4.42Å; F59-A89 HydrophobicContact CE1-CB 4.37Å; K87-A89 PolarHBondContact O-N 3.03Å
90	V	90	Very high	89.8	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.23	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-82.7	144.9	171	-173.8	0	0	0	0	108.4	Q12 R88 D94 A100	Q12-V90 PolarHBondContact NE2-O 2.9Å; Q12-V90 VanDerWaalsContact NE2-O 3.08Å; R88-V90 PolarHBondContact O-N 3.34Å; V90-D94 HydrophobicContact CG1-CB 3.76Å; V90-A100 HydrophobicContact CG1-CB 4.07Å
91	S	86.3	Confident	89.3	Confident	17 Å²	17	56.2 Å²	56.2	12%	0.119	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-61.9	159	173	73.3	0	0	0	0	110.9	E93 D94 S95	S91-E93 PolarHBondContact O-N 3.28Å; S91-D94 PolarHBondContact O-N 3.12Å; S91-D94 WeakPolarHBondContact OG-CB 3.13Å; S91-D94 PolarHBondContact OG-N 3.29Å; S91-D94 PolarHBondContact OG-OD2 3.08Å; S91-S95 VanDerWaalsContact O-CB 3.3Å; S91-S95 WeakPolarHBondContact O-CB 3.15Å; S91-S95 PolarHBondContact O-N 3.03Å; S91-S95 PolarHBondContact O-OG 3.25Å
92	R	83.6	Confident	89.1	Confident	133 Å²	133	56 Å²	56	50%	0.502	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-33.5	179.3	-71.7	174.8	169.3	-117.8	0.3	111.4	Y318	R92-Y318 PolarHBondContact NH1-O 2.86Å
93	E	84.6	Confident	88.9	Confident	136 Å²	136	53 Å²	53	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-45.4	179.7	-61.7	63.2	-139.8	0	0	110.3	S91 Q96	S91-E93 PolarHBondContact O-N 3.28Å; E93-Q96 PolarHBondContact O-N 3.25Å
94	D	84.2	Confident	88.8	Confident	39 Å²	39	49.5 Å²	49.5	21%	0.209	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-82.6	-22	-178.3	-58	-42.6	0	0	0	113	V90 S91 Q96 R97 A100	V90-D94 HydrophobicContact CG1-CB 3.76Å; S91-D94 PolarHBondContact O-N 3.12Å; S91-D94 WeakPolarHBondContact OG-CB 3.13Å; S91-D94 PolarHBondContact OG-N 3.29Å; S91-D94 PolarHBondContact OG-OD2 3.08Å; D94-Q96 PolarHBondContact O-N 3.39Å; D94-Q96 VanDerWaalsContact O-N 3.16Å; D94-R97 VanDerWaalsContact O-CB 3.25Å; D94-R97 WeakPolarHBondContact O-CB 3.4Å; D94-R97 WeakPolarHBondContact O-CG 3.45Å; D94-R97 PolarHBondContact O-N 2.87Å; D94-R97 IonicContact OD1-CZ 3.9Å; D94-R97 IonicContact OD1-NE 2.62Å; D94-R97 PolarHBondContact OD1-NE 2.82Å; D94-R97 IonicContact OD1-NH2 3.1Å; D94-R97 PolarHBondContact OD1-NH2 3.44Å; D94-R97 IonicContact OD2-NH2 2.72Å; D94-A100 WeakPolarHBondContact O-CB 3.25Å
95	S	86	Confident	88.7	Confident	33 Å²	33	53.9 Å²	53.9	23%	0.231	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59.1	-22.8	170	-62.2	0	0	0	0	112.4	S91 R97 H101	S91-S95 VanDerWaalsContact O-CB 3.3Å; S91-S95 WeakPolarHBondContact O-CB 3.15Å; S91-S95 PolarHBondContact O-N 3.03Å; S91-S95 PolarHBondContact O-OG 3.25Å; S95-R97 VanDerWaalsContact C-N 3.31Å; S95-H101 VanDerWaalsContact CB-NE2 3.35Å; S95-H101 WeakPolarHBondContact CB-NE2 3.36Å; S95-H101 PolarHBondContact OG-CE1 2.85Å; S95-H101 VanDerWaalsContact OG-CE1 3.28Å; S95-H101 PolarHBondContact OG-NE2 2.78Å
96	Q	83.3	Confident	88.8	Confident	158 Å²	158	53.3 Å²	53.3	74%	0.738	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-78.5	-11	173.6	-55.1	-55.6	-54.6	0	0	113.5	E93 D94	E93-Q96 PolarHBondContact O-N 3.25Å; D94-Q96 PolarHBondContact O-N 3.39Å; D94-Q96 VanDerWaalsContact O-N 3.16Å
97	R	82.5	Confident	88.9	Confident	73 Å²	73	53.2 Å²	53.2	28%	0.275	27%	0.267	S	S	.	.	S	Bend	trans	-75.3	133.2	177.7	-59.8	178.2	-171.7	-168.6	9.3	109.4	D94 S95 G99 A100	D94-R97 VanDerWaalsContact O-CB 3.25Å; D94-R97 WeakPolarHBondContact O-CB 3.4Å; D94-R97 WeakPolarHBondContact O-CG 3.45Å; D94-R97 PolarHBondContact O-N 2.87Å; D94-R97 IonicContact OD1-CZ 3.9Å; D94-R97 IonicContact OD1-NE 2.62Å; D94-R97 PolarHBondContact OD1-NE 2.82Å; D94-R97 IonicContact OD1-NH2 3.1Å; D94-R97 PolarHBondContact OD1-NH2 3.44Å; D94-R97 IonicContact OD2-NH2 2.72Å; S95-R97 VanDerWaalsContact C-N 3.31Å; R97-G99 PolarHBondContact O-N 3.3Å; R97-G99 VanDerWaalsContact O-N 3.12Å; R97-A100 HydrophobicContact CB-CB 4.39Å; R97-A100 WeakPolarHBondContact O-CB 3.45Å; R97-A100 PolarHBondContact O-N 3.43Å; R97-A100 VanDerWaalsContact O-N 3.1Å
98	P	82.3	Confident	88.9	Confident	54 Å²	54	55.1 Å²	55.1	35%	0.351	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	121.6	174.9	-28.8	35.8	0	0	0	112.1	A189	P98-A189 HydrophobicContact CB-CB 3.56Å; P98-A189 HydrophobicContact CG-CB 3.96Å
99	G	83	Confident	89	Confident	24 Å²	24	54.5 Å²	54.5	25%	0.247	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	11	177.7	0	0	0	0	0	116.9	R97 H101 L102	R97-G99 PolarHBondContact O-N 3.3Å; R97-G99 VanDerWaalsContact O-N 3.12Å; G99-H101 VanDerWaalsContact C-N 3.3Å; G99-H101 PolarHBondContact O-N 3.08Å; G99-L102 VanDerWaalsContact CA-CD1 3.42Å; G99-L102 WeakPolarHBondContact O-CB 3.45Å; G99-L102 WeakPolarHBondContact O-CG 3.49Å; G99-L102 PolarHBondContact O-N 3.11Å; G99-L102 VanDerWaalsContact O-N 3.08Å
100	A	86	Confident	89.1	Confident	15 Å²	15	54.7 Å²	54.7	12%	0.124	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.6	-177.4	0	0	0	0	0	114.3	V90 D94 R97 K179	V90-A100 HydrophobicContact CG1-CB 4.07Å; D94-A100 WeakPolarHBondContact O-CB 3.25Å; R97-A100 HydrophobicContact CB-CB 4.39Å; R97-A100 WeakPolarHBondContact O-CB 3.45Å; R97-A100 PolarHBondContact O-N 3.43Å; R97-A100 VanDerWaalsContact O-N 3.1Å; A100-K179 WeakPolarHBondContact O-CE 3.29Å; A100-K179 PolarHBondContact O-NZ 3.21Å
101	H	86.3	Confident	89.3	Confident	55 Å²	55	55 Å²	55	26%	0.255	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.1	178.9	-58.7	-68	0	0	0	114.7	S95 G99 F315	S95-H101 VanDerWaalsContact CB-NE2 3.35Å; S95-H101 WeakPolarHBondContact CB-NE2 3.36Å; S95-H101 PolarHBondContact OG-CE1 2.85Å; S95-H101 VanDerWaalsContact OG-CE1 3.28Å; S95-H101 PolarHBondContact OG-NE2 2.78Å; G99-H101 VanDerWaalsContact C-N 3.3Å; G99-H101 PolarHBondContact O-N 3.08Å; H101-F315 HydrophobicContact CB-CE2 4.22Å; H101-F315 HydrophobicContact CB-CZ 4.42Å; H101-F315 AromaticContact CD2-CD2 3.86Å; H101-F315 AromaticContact CD2-CE2 3.72Å; H101-F315 AromaticContact CG-CE2 3.94Å; H101-F315 AromaticContact CG-CZ 4Å
102	L	89.5	Confident	89.6	Confident	56 Å²	56	54.4 Å²	54.4	29%	0.293	28%	0.282	S	S	.	.			trans	-68.5	136.2	179	-64.6	170.5	0	0	0	111.1	G99 V104 K179 L181 E185	G99-L102 VanDerWaalsContact CA-CD1 3.42Å; G99-L102 WeakPolarHBondContact O-CB 3.45Å; G99-L102 WeakPolarHBondContact O-CG 3.49Å; G99-L102 PolarHBondContact O-N 3.11Å; G99-L102 VanDerWaalsContact O-N 3.08Å; L102-V104 HydrophobicContact CB-CG1 3.91Å; L102-V104 PolarHBondContact O-N 2.83Å; L102-K179 PolarHBondContact O-NZ 3.43Å; L102-L181 HydrophobicContact CD1-CD2 3.69Å; L102-E185 VanDerWaalsContact CD1-OE1 3.25Å; L102-E185 WeakPolarHBondContact CD1-OE1 3.17Å
103	T	91.9	Very high	90	Very high	61 Å²	61	53.6 Å²	53.6	37%	0.374	28%	0.282	S	S	.	.			trans	-78.1	95.4	168.2	-44.5	0	0	0	0	108.1	E85 K87 H156	E85-T103 PolarHBondContact OE1-OG1 2.66Å; K87-T103 VanDerWaalsContact CE-OG1 3.28Å; K87-T103 WeakPolarHBondContact CE-OG1 3.28Å; K87-T103 PolarHBondContact NZ-OG1 2.83Å; T103-H156 HydrophobicContact CG2-CB 3.79Å
104	V	94.1	Very high	90.3	Very high	24 Å²	24	52.2 Å²	52.2	15%	0.145	28%	0.276	C	S	.	.			trans	-123.6	139.3	175.6	-54.4	0	0	0	0	110.4	L102 K106 V159 K179	L102-V104 HydrophobicContact CB-CG1 3.91Å; L102-V104 PolarHBondContact O-N 2.83Å; V104-K106 VanDerWaalsContact C-N 3.31Å; V104-K106 WeakPolarHBondContact CG2-O 3.31Å; V104-V159 HydrophobicContact CG2-CG1 4.14Å; V104-V159 WeakPolarHBondContact O-CB 3.19Å; V104-V159 WeakPolarHBondContact O-CG2 3.45Å; V104-K179 HydrophobicContact CG2-CB 3.74Å; V104-K179 HydrophobicContact CG2-CD 4.04Å; V104-K179 HydrophobicContact CG2-CG 3.83Å
105	K	96.2	Very high	90.7	Very high	100 Å²	100	53.9 Å²	53.9	44%	0.435	29%	0.285	S	S	.	.	S	Bend	trans	-88.8	6.1	173.9	-59	-170.5	179.2	-170.8	0	113.5	T152 F153 D154 V159	K105-T152 CarbonylContact O-C 3.47Å; K105-T152 WeakPolarHBondContact O-CA 3.35Å; K105-F153 WeakPolarHBondContact CB-O 3.42Å; K105-F153 PolarHBondContact O-N 2.79Å; K105-D154 WeakPolarHBondContact CD-O 3.45Å; K105-D154 WeakPolarHBondContact CE-O 3.42Å; K105-D154 PolarHBondContact NZ-O 2.96Å; K105-V159 VanDerWaalsContact C-CG2 3.41Å
106	K	96.9	Very high	91.1	Very high	62 Å²	62	52.3 Å²	52.3	27%	0.27	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.4	-170.8	-166	166.3	-169.4	156	0	111.8	V104 E135 F150 V151 T152 A180	V104-K106 VanDerWaalsContact C-N 3.31Å; V104-K106 WeakPolarHBondContact CG2-O 3.31Å; K106-E135 WeakPolarHBondContact CE-OE2 3.49Å; K106-E135 IonicContact NZ-OE2 2.73Å; K106-E135 PolarHBondContact NZ-OE2 2.84Å; K106-F150 HydrophobicContact CD-CB 4.42Å; K106-F150 HydrophobicContact CG-CB 4.28Å; K106-F150 HydrophobicContact CG-CD1 4.5Å; K106-V151 CarbonylContact C-O 3.55Å; K106-V151 WeakPolarHBondContact CA-O 3.39Å; K106-T152 HydrophobicContact CB-CG2 4.41Å; K106-T152 WeakPolarHBondContact CD-OG1 3.36Å; K106-T152 WeakPolarHBondContact CE-OG1 3.47Å; K106-A180 HydrophobicContact CB-CB 3.96Å; K106-A180 HydrophobicContact CD-CB 4.43Å; K106-A180 HydrophobicContact CG-CB 3.81Å; K106-A180 VanDerWaalsContact O-CB 3.24Å; K106-A180 WeakPolarHBondContact O-CB 3.2Å; K106-A180 PolarHBondContact O-N 2.8Å
107	I	97.2	Very high	91.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.7	170	54.3	175.1	0	0	0	111.5	V109 F125 F150 V151 F153 V159 I162 V163 V177 R178	I107-V109 HydrophobicContact CD1-CG2 3.67Å; I107-V109 HydrophobicContact CG1-CG2 3.97Å; I107-F125 HydrophobicContact CD1-CD1 3.92Å; I107-F125 HydrophobicContact CD1-CD2 4.4Å; I107-F125 HydrophobicContact CD1-CE1 3.76Å; I107-F125 HydrophobicContact CD1-CE2 4.27Å; I107-F125 HydrophobicContact CD1-CG 4.26Å; I107-F125 HydrophobicContact CD1-CZ 3.95Å; I107-F150 WeakPolarHBondContact O-CA 3.1Å; I107-F150 WeakPolarHBondContact O-CB 3.19Å; I107-F150 WeakPolarHBondContact O-CD1 3.29Å; I107-V151 HydrophobicContact CD1-CB 3.97Å; I107-V151 HydrophobicContact CD1-CG2 4.37Å; I107-V151 HydrophobicContact CG1-CB 3.73Å; I107-V151 HydrophobicContact CG1-CG2 4.43Å; I107-V151 PolarHBondContact N-O 3.2Å; I107-V151 PolarHBondContact O-N 2.75Å; I107-V151 VanDerWaalsContact O-N 3.14Å; I107-F153 HydrophobicContact CD1-CE2 3.9Å; I107-F153 HydrophobicContact CD1-CZ 4.3Å; I107-F153 HydrophobicContact CG1-CE2 4.01Å; I107-V159 HydrophobicContact CG2-CB 4.26Å; I107-V159 HydrophobicContact CG2-CG1 3.72Å; I107-V159 HydrophobicContact CG2-CG2 4.08Å; I107-I162 HydrophobicContact CD1-CD1 4.13Å; I107-I162 HydrophobicContact CD1-CG2 4.32Å; I107-I162 HydrophobicContact CG2-CG2 4.5Å; I107-V163 HydrophobicContact CG2-CG1 3.99Å; I107-V177 HydrophobicContact CB-CG1 3.91Å; I107-V177 HydrophobicContact CD1-CG1 3.81Å; I107-V177 HydrophobicContact CG1-CG1 4.4Å; I107-V177 HydrophobicContact CG2-CG1 4.01Å; I107-R178 CarbonylContact C-O 3.52Å; I107-R178 VanDerWaalsContact CA-O 3.3Å; I107-R178 WeakPolarHBondContact CA-O 2.93Å
108	F	96	Very high	92.2	Very high	62 Å²	62	50.1 Å²	50.1	27%	0.272	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.1	159.3	167.2	-88.2	0	0	0	108.2	F148 F150 V177 R178	F108-F148 HydrophobicContact CD2-CB 4.49Å; F108-F148 AromaticContact CD2-CD2 3.94Å; F108-F148 HydrophobicContact CD2-CD2 3.94Å; F108-F148 HydrophobicContact CE2-CB 3.67Å; F108-F148 AromaticContact CE2-CD2 3.44Å; F108-F148 HydrophobicContact CE2-CD2 3.44Å; F108-F148 VanDerWaalsContact CE2-CD2 3.44Å; F108-F148 HydrophobicContact CE2-CE2 4.15Å; F108-F148 AromaticContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CZ-CB 3.87Å; F108-F148 HydrophobicContact CZ-CD2 4.44Å; F108-F148 HydrophobicContact CZ-CG 4.26Å; F108-F150 HydrophobicContact CB-CD1 4.12Å; F108-F150 HydrophobicContact CB-CE1 3.96Å; F108-F150 AromaticContact CD2-CE1 3.89Å; F108-F150 HydrophobicContact CD2-CE1 3.89Å; F108-F150 HydrophobicContact CD2-CZ 4.15Å; F108-F150 HydrophobicContact CG-CE1 4.43Å; F108-V177 WeakPolarHBondContact O-CA 3.02Å; F108-R178 PolarHBondContact N-O 3.45Å; F108-R178 PolarHBondContact O-N 2.91Å
109	V	96.4	Very high	92.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	102.3	178.9	-176.2	0	0	0	0	107.8	I107 I112 L121 F125 F148 A149 V151 C175 V177	I107-V109 HydrophobicContact CD1-CG2 3.67Å; I107-V109 HydrophobicContact CG1-CG2 3.97Å; V109-I112 HydrophobicContact CG1-CG2 3.93Å; V109-L121 HydrophobicContact CG1-CD2 4.06Å; V109-F125 HydrophobicContact CG1-CE2 4.09Å; V109-F125 HydrophobicContact CG1-CZ 4.19Å; V109-F125 HydrophobicContact CG2-CE2 3.72Å; V109-F125 HydrophobicContact CG2-CZ 3.8Å; V109-F148 CarbonylContact O-C 3.57Å; V109-F148 WeakPolarHBondContact O-CA 3.5Å; V109-F148 WeakPolarHBondContact O-CB 3.43Å; V109-A149 PolarHBondContact N-O 2.71Å; V109-A149 PolarHBondContact O-N 2.83Å; V109-V151 HydrophobicContact CG2-CG2 4.33Å; V109-C175 HydrophobicContact CG1-CB 4.06Å; V109-V177 HydrophobicContact CG1-CG2 4.28Å; V109-V177 HydrophobicContact CG2-CG1 4.36Å; V109-V177 HydrophobicContact CG2-CG2 4.37Å
110	G	95.8	Very high	93.5	Very high	8 Å²	8	52.7 Å²	52.7	8%	0.082	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.6	-175	0	0	0	0	0	113.5	C175 E176	G110-C175 CarbonylContact O-C 3.58Å; G110-C175 WeakPolarHBondContact O-CA 3.45Å; G110-C175 VanDerWaalsContact O-CB 3.23Å; G110-C175 WeakPolarHBondContact O-CB 3.35Å; G110-E176 PolarHBondContact N-O 2.86Å; G110-E176 PolarHBondContact O-N 3.06Å
111	G	93	Very high	94	Very high	44 Å²	44	52 Å²	52	45%	0.454	26%	0.261	S	S	.	.	S	Bend	trans	94.9	1.9	-179.6	0	0	0	0	0	114.9	G147	G111-G147 PolarHBondContact N-O 3.07Å
112	I	93.8	Very high	94.5	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	26%	0.262	C	S	.	.			trans	-62.9	156.4	169.3	63.1	172.8	0	0	0	110.9	V109 T116 G147 A149 C175	V109-I112 HydrophobicContact CG1-CG2 3.93Å; I112-T116 HydrophobicContact CB-CG2 4.01Å; I112-T116 HydrophobicContact CD1-CG2 4.41Å; I112-T116 HydrophobicContact CG2-CG2 4.14Å; I112-G147 PolarHBondContact N-O 3.39Å; I112-G147 VanDerWaalsContact O-CA 3.23Å; I112-G147 WeakPolarHBondContact O-CA 3.45Å; I112-A149 HydrophobicContact CD1-CB 3.74Å; I112-C175 HydrophobicContact CG2-CB 4.03Å
113	K	91.8	Very high	94.8	Very high	115 Å²	115	55.5 Å²	55.5	50%	0.5	28%	0.277	S	S	.	.			trans	-99.3	173.7	-176.6	-64.3	-64.9	-172.7	169.5	0	112.1	D115 T116 H173	K113-D115 WeakPolarHBondContact CB-OD1 3.42Å; K113-D115 PolarHBondContact O-N 3.11Å; K113-T116 PolarHBondContact N-OG1 2.83Å; K113-T116 VanDerWaalsContact N-OG1 3.17Å; K113-T116 WeakPolarHBondContact O-CB 3.42Å; K113-T116 PolarHBondContact O-N 2.76Å; K113-T116 VanDerWaalsContact O-N 3.07Å; K113-T116 PolarHBondContact O-OG1 3.17Å; K113-H173 HydrophobicContact CG-CB 4.4Å; K113-H173 VanDerWaalsContact CG-CE1 3.47Å; K113-H173 WeakPolarHBondContact CG-CE1 3.48Å; K113-H173 WeakPolarHBondContact CG-ND1 3.32Å; K113-H173 WeakPolarHBondContact CG-NE2 3.42Å
114	E	90.5	Very high	95	Very high	108 Å²	108	55 Å²	55	51%	0.505	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.8	176.1	-65.8	-170.2	153.4	0	0	112.7	T116 K144 K145	E114-T116 VanDerWaalsContact C-N 3.32Å; E114-K144 IonicContact OE1-NZ 3.86Å; E114-K145 WeakPolarHBondContact O-CD 3.37Å; E114-K145 WeakPolarHBondContact O-CE 3.25Å; E114-K145 PolarHBondContact O-NZ 3.17Å
115	D	92.7	Very high	95.1	Very high	74 Å²	74	53.9 Å²	53.9	40%	0.396	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.6	171.1	59.6	33.7	0	0	0	114.1	K113 E117 N171 H173	K113-D115 WeakPolarHBondContact CB-OD1 3.42Å; K113-D115 PolarHBondContact O-N 3.11Å; D115-E117 WeakPolarHBondContact O-CG 3.37Å; D115-E117 PolarHBondContact O-N 3.2Å; D115-N171 VanDerWaalsContact CG-ND2 3.28Å; D115-N171 PolarHBondContact OD1-ND2 2.74Å; D115-H173 IonicContact OD1-CD2 3.5Å; D115-H173 PolarHBondContact OD1-CD2 3.39Å; D115-H173 IonicContact OD1-NE2 3.26Å; D115-H173 PolarHBondContact OD1-NE2 2.87Å; D115-H173 IonicContact OD2-CD2 3.78Å; D115-H173 IonicContact OD2-CE1 3.57Å; D115-H173 IonicContact OD2-NE2 2.76Å; D115-H173 PolarHBondContact OD2-NE2 2.75Å
116	T	93.5	Very high	95.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.			trans	-80.7	127.2	-163.1	-50.6	0	0	0	0	109.7	I112 K113 E114 H120 L121 K145 N171	I112-T116 HydrophobicContact CB-CG2 4.01Å; I112-T116 HydrophobicContact CD1-CG2 4.41Å; I112-T116 HydrophobicContact CG2-CG2 4.14Å; K113-T116 PolarHBondContact N-OG1 2.83Å; K113-T116 VanDerWaalsContact N-OG1 3.17Å; K113-T116 WeakPolarHBondContact O-CB 3.42Å; K113-T116 PolarHBondContact O-N 2.76Å; K113-T116 VanDerWaalsContact O-N 3.07Å; K113-T116 PolarHBondContact O-OG1 3.17Å; E114-T116 VanDerWaalsContact C-N 3.32Å; T116-H120 HydrophobicContact CG2-CB 4.21Å; T116-L121 HydrophobicContact CG2-CG 4.49Å; T116-K145 WeakPolarHBondContact O-CD 3.37Å; T116-K145 WeakPolarHBondContact O-CE 3.32Å; T116-K145 PolarHBondContact O-NZ 2.88Å; T116-N171 HydrophobicContact CG2-CB 4.36Å
117	E	94.3	Very high	95	Very high	95 Å²	95	57.1 Å²	57.1	44%	0.444	28%	0.279	S	S	.	.			trans	-117.1	175	-174.4	-52.5	-160.8	148.6	0	0	113	D115 H119 H120 L121	D115-E117 WeakPolarHBondContact O-CG 3.37Å; D115-E117 PolarHBondContact O-N 3.2Å; E117-H119 VanDerWaalsContact C-N 3.33Å; E117-H119 PolarHBondContact O-N 2.8Å; E117-H119 IonicContact OE2-CE1 3.92Å; E117-H119 PolarHBondContact OE2-CE1 3.09Å; E117-H119 IonicContact OE2-ND1 2.63Å; E117-H119 PolarHBondContact OE2-ND1 3.44Å; E117-H120 PolarHBondContact N-ND1 3.41Å; E117-H120 VanDerWaalsContact N-ND1 3.18Å; E117-H120 PolarHBondContact O-N 2.98Å; E117-L121 PolarHBondContact O-N 3.33Å
118	E	95.2	Very high	94.9	Very high	89 Å²	89	59.1 Å²	59.1	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-57.9	-44.7	-178.2	-179	175.8	157.2	0	0	111.9	H120 L121 R122 I134	E118-H120 PolarHBondContact O-N 2.63Å; E118-L121 WeakPolarHBondContact O-CB 3.01Å; E118-L121 PolarHBondContact O-N 2.88Å; E118-L121 VanDerWaalsContact O-N 3.1Å; E118-R122 WeakPolarHBondContact O-CB 3.21Å; E118-R122 PolarHBondContact O-N 2.82Å; E118-R122 IonicContact OE1-CZ 3.15Å; E118-R122 IonicContact OE1-NE 2.72Å; E118-R122 IonicContact OE1-NH2 2.68Å; E118-R122 PolarHBondContact OE1-NH2 2.83Å; E118-I134 HydrophobicContact CG-CB 3.87Å; E118-I134 HydrophobicContact CG-CD1 3.63Å; E118-I134 HydrophobicContact CG-CG1 4.27Å; E118-I134 HydrophobicContact CG-CG2 3.99Å
119	H	96.3	Very high	94.8	Very high	87 Å²	87	57.2 Å²	57.2	40%	0.403	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-46.3	-178.1	67.4	-95.5	0	0	0	111.6	E117 L121 R122 D123	E117-H119 VanDerWaalsContact C-N 3.33Å; E117-H119 PolarHBondContact O-N 2.8Å; E117-H119 IonicContact OE2-CE1 3.92Å; E117-H119 PolarHBondContact OE2-CE1 3.09Å; E117-H119 IonicContact OE2-ND1 2.63Å; E117-H119 PolarHBondContact OE2-ND1 3.44Å; H119-L121 PolarHBondContact O-N 2.77Å; H119-L121 VanDerWaalsContact O-N 3.14Å; H119-R122 CarbonylContact O-C 3.58Å; H119-R122 WeakPolarHBondContact O-CA 3.18Å; H119-R122 WeakPolarHBondContact O-CB 3.43Å; H119-R122 PolarHBondContact O-N 2.91Å; H119-D123 IonicContact CD2-OD2 2.68Å; H119-D123 WeakPolarHBondContact O-CB 3.09Å; H119-D123 PolarHBondContact O-N 2.76Å
120	H	96.1	Very high	94.8	Very high	45 Å²	45	63.5 Å²	63.5	21%	0.208	31%	0.312	C	S	.	.	H	α-helix	trans	-54.3	-36.2	174.3	-57.8	95.2	0	0	0	113.8	T116 E117 E118 V170 N171	T116-H120 HydrophobicContact CG2-CB 4.21Å; E117-H120 PolarHBondContact N-ND1 3.41Å; E117-H120 VanDerWaalsContact N-ND1 3.18Å; E117-H120 PolarHBondContact O-N 2.98Å; E118-H120 PolarHBondContact O-N 2.63Å; H120-V170 HydrophobicContact CB-CG1 4.42Å; H120-V170 WeakPolarHBondContact O-CG1 3.43Å; H120-N171 HydrophobicContact CB-CB 4.22Å; H120-N171 PolarHBondContact CD2-OD1 3.49Å; H120-N171 VanDerWaalsContact CD2-OD1 3.22Å; H120-N171 PolarHBondContact NE2-OD1 3.04Å
121	L	96.3	Very high	94.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-75.7	-42.6	175.1	-68.5	167.4	0	0	0	111	V109 T116 E117 E118 H119 F125 I134 I136 A149 V170	V109-L121 HydrophobicContact CG1-CD2 4.06Å; T116-L121 HydrophobicContact CG2-CG 4.49Å; E117-L121 PolarHBondContact O-N 3.33Å; E118-L121 WeakPolarHBondContact O-CB 3.01Å; E118-L121 PolarHBondContact O-N 2.88Å; E118-L121 VanDerWaalsContact O-N 3.1Å; H119-L121 PolarHBondContact O-N 2.77Å; H119-L121 VanDerWaalsContact O-N 3.14Å; L121-F125 HydrophobicContact CB-CD2 4.38Å; L121-F125 HydrophobicContact CD2-CD2 4.24Å; L121-F125 HydrophobicContact CD2-CE2 3.82Å; L121-F125 VanDerWaalsContact O-CB 3.29Å; L121-F125 WeakPolarHBondContact O-CB 3.4Å; L121-F125 WeakPolarHBondContact O-CD2 3.41Å; L121-F125 PolarHBondContact O-N 2.87Å; L121-I134 HydrophobicContact CB-CD1 4.28Å; L121-I134 HydrophobicContact CB-CG2 4.25Å; L121-I134 HydrophobicContact CD1-CG2 3.71Å; L121-I136 HydrophobicContact CD1-CD1 3.83Å; L121-I136 HydrophobicContact CD1-CG1 3.66Å; L121-A149 HydrophobicContact CD1-CB 3.64Å; L121-V170 HydrophobicContact CD2-CG1 4.22Å
122	R	97	Very high	95.1	Very high	73 Å²	73	66.6 Å²	66.6	28%	0.275	31%	0.313	S	S	.	.	H	α-helix	trans	-60	-58.9	178.7	-175.5	172.2	-67.1	-78.1	0.4	111.2	E118 H119 Y124 F125 E126 I131 I134	E118-R122 WeakPolarHBondContact O-CB 3.21Å; E118-R122 PolarHBondContact O-N 2.82Å; E118-R122 IonicContact OE1-CZ 3.15Å; E118-R122 IonicContact OE1-NE 2.72Å; E118-R122 IonicContact OE1-NH2 2.68Å; E118-R122 PolarHBondContact OE1-NH2 2.83Å; H119-R122 CarbonylContact O-C 3.58Å; H119-R122 WeakPolarHBondContact O-CA 3.18Å; H119-R122 WeakPolarHBondContact O-CB 3.43Å; H119-R122 PolarHBondContact O-N 2.91Å; R122-Y124 PolarHBondContact O-N 3.48Å; R122-Y124 VanDerWaalsContact O-N 3.12Å; R122-F125 PolarHBondContact O-N 2.68Å; R122-F125 VanDerWaalsContact O-N 3.11Å; R122-E126 WeakPolarHBondContact CG-OE2 3.48Å; R122-E126 IonicContact NH1-OE2 2.99Å; R122-E126 WeakPolarHBondContact O-CB 3.09Å; R122-E126 PolarHBondContact O-N 3.05Å; R122-I131 HydrophobicContact CG-CD1 4.45Å; R122-I134 HydrophobicContact CB-CD1 3.73Å; R122-I134 HydrophobicContact CG-CD1 4.48Å
123	D	96.2	Very high	95.3	Very high	113 Å²	113	69.6 Å²	69.6	60%	0.604	33%	0.331	S	S	*	.	H	α-helix	trans	-55.6	-34.9	-176.3	-55.1	-19.2	0	0	0	112.1	H119	H119-D123 IonicContact CD2-OD2 2.68Å; H119-D123 WeakPolarHBondContact O-CB 3.09Å; H119-D123 PolarHBondContact O-N 2.76Å
124	Y	96.2	Very high	95.5	Very high	50 Å²	50	65 Å²	65	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-82.3	-40.3	177.3	-174.7	-95.3	0	0	0	114	R122 Q127 Y128 H168 V170	R122-Y124 PolarHBondContact O-N 3.48Å; R122-Y124 VanDerWaalsContact O-N 3.12Å; Y124-Q127 VanDerWaalsContact O-CG 3.31Å; Y124-Q127 WeakPolarHBondContact O-CG 3.47Å; Y124-Q127 PolarHBondContact O-NE2 2.88Å; Y124-Y128 AromaticContact CE1-CE2 3.99Å; Y124-Y128 HydrophobicContact CE1-CE2 3.99Å; Y124-Y128 PolarHBondContact OH-OH 3.43Å; Y124-H168 HydrophobicContact CE1-CB 3.74Å; Y124-H168 AromaticContact CE1-CG 3.88Å; Y124-H168 AromaticContact CE1-ND1 3.47Å; Y124-H168 WeakPolarHBondContact CE1-ND1 3.42Å; Y124-H168 AromaticContact CZ-ND1 3.6Å; Y124-H168 PolarHBondContact OH-ND1 2.95Å; Y124-V170 HydrophobicContact CD1-CG2 3.55Å; Y124-V170 HydrophobicContact CD2-CG2 4.4Å; Y124-V170 HydrophobicContact CE1-CG2 3.98Å; Y124-V170 HydrophobicContact CG-CG2 3.79Å
125	F	96.8	Very high	95.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-89.2	-22.7	-173.2	-75	-59.1	0	0	0	113.9	I107 V109 L121 R122 Q127 Y128 I131 V151 F153 I162 V170 V177	I107-F125 HydrophobicContact CD1-CD1 3.92Å; I107-F125 HydrophobicContact CD1-CD2 4.4Å; I107-F125 HydrophobicContact CD1-CE1 3.76Å; I107-F125 HydrophobicContact CD1-CE2 4.27Å; I107-F125 HydrophobicContact CD1-CG 4.26Å; I107-F125 HydrophobicContact CD1-CZ 3.95Å; V109-F125 HydrophobicContact CG1-CE2 4.09Å; V109-F125 HydrophobicContact CG1-CZ 4.19Å; V109-F125 HydrophobicContact CG2-CE2 3.72Å; V109-F125 HydrophobicContact CG2-CZ 3.8Å; L121-F125 HydrophobicContact CB-CD2 4.38Å; L121-F125 HydrophobicContact CD2-CD2 4.24Å; L121-F125 HydrophobicContact CD2-CE2 3.82Å; L121-F125 VanDerWaalsContact O-CB 3.29Å; L121-F125 WeakPolarHBondContact O-CB 3.4Å; L121-F125 WeakPolarHBondContact O-CD2 3.41Å; L121-F125 PolarHBondContact O-N 2.87Å; R122-F125 PolarHBondContact O-N 2.68Å; R122-F125 VanDerWaalsContact O-N 3.11Å; F125-Q127 PolarHBondContact O-N 2.98Å; F125-Y128 HydrophobicContact CD1-CD2 4.2Å; F125-Y128 HydrophobicContact CD1-CE2 4.28Å; F125-Y128 PolarHBondContact O-N 2.8Å; F125-Y128 VanDerWaalsContact O-N 3.08Å; F125-I131 HydrophobicContact CB-CD1 3.84Å; F125-V151 HydrophobicContact CD2-CG2 3.95Å; F125-V151 HydrophobicContact CE2-CG2 4.41Å; F125-F153 HydrophobicContact CB-CE1 4.35Å; F125-F153 HydrophobicContact CB-CZ 3.98Å; F125-F153 HydrophobicContact CG-CZ 4.49Å; F125-I162 HydrophobicContact CD1-CD1 3.7Å; F125-I162 HydrophobicContact CD1-CG1 4.35Å; F125-I162 HydrophobicContact CE1-CD1 4.23Å; F125-I162 HydrophobicContact CE1-CG2 3.98Å; F125-V170 HydrophobicContact CE2-CG2 4.34Å; F125-V170 HydrophobicContact CZ-CG2 4.35Å; F125-V177 HydrophobicContact CE1-CG2 4.39Å; F125-V177 HydrophobicContact CZ-CG2 3.98Å
126	E	96	Very high	95.9	Very high	101 Å²	101	62 Å²	62	47%	0.472	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-65.4	-24.5	-179.1	-167.4	158.2	164.6	0	0	112.2	R122 Y128 G129 I131	R122-E126 WeakPolarHBondContact CG-OE2 3.48Å; R122-E126 IonicContact NH1-OE2 2.99Å; R122-E126 WeakPolarHBondContact O-CB 3.09Å; R122-E126 PolarHBondContact O-N 3.05Å; E126-Y128 PolarHBondContact O-N 2.68Å; E126-Y128 VanDerWaalsContact O-N 3.17Å; E126-G129 PolarHBondContact O-N 2.72Å; E126-G129 VanDerWaalsContact O-N 3.14Å; E126-I131 HydrophobicContact CB-CD1 4.09Å
127	Q	94.9	Very high	95.9	Very high	130 Å²	130	64.4 Å²	64.4	61%	0.607	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-61.4	-20.8	172.6	81	-172	-10.1	0	0	114	Y124 F125	Y124-Q127 VanDerWaalsContact O-CG 3.31Å; Y124-Q127 WeakPolarHBondContact O-CG 3.47Å; Y124-Q127 PolarHBondContact O-NE2 2.88Å; F125-Q127 PolarHBondContact O-N 2.98Å
128	Y	94.5	Very high	95.8	Very high	41 Å²	41	63.3 Å²	63.3	16%	0.161	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-91.9	-17.8	178.2	-63.2	-83.9	0	0	0	112.9	Y124 F125 E126 K161 I162 H168	Y124-Y128 AromaticContact CE1-CE2 3.99Å; Y124-Y128 HydrophobicContact CE1-CE2 3.99Å; Y124-Y128 PolarHBondContact OH-OH 3.43Å; F125-Y128 HydrophobicContact CD1-CD2 4.2Å; F125-Y128 HydrophobicContact CD1-CE2 4.28Å; F125-Y128 PolarHBondContact O-N 2.8Å; F125-Y128 VanDerWaalsContact O-N 3.08Å; E126-Y128 PolarHBondContact O-N 2.68Å; E126-Y128 VanDerWaalsContact O-N 3.17Å; Y128-K161 HydrophobicContact CD1-CB 4.12Å; Y128-K161 WeakPolarHBondContact O-CE 3.46Å; Y128-K161 PolarHBondContact O-NZ 3.27Å; Y128-I162 HydrophobicContact CD1-CG1 3.67Å; Y128-I162 HydrophobicContact CD2-CD1 3.84Å; Y128-I162 HydrophobicContact CD2-CG1 3.56Å; Y128-I162 HydrophobicContact CE1-CG1 4.04Å; Y128-I162 HydrophobicContact CE2-CG1 3.93Å; Y128-I162 HydrophobicContact CG-CD1 3.86Å; Y128-I162 HydrophobicContact CG-CG1 3.41Å; Y128-I162 VanDerWaalsContact CG-CG1 3.41Å; Y128-H168 PolarHBondContact OH-CE1 2.86Å; Y128-H168 PolarHBondContact OH-ND1 2.82Å
129	G	94.4	Very high	95.5	Very high	22 Å²	22	62.2 Å²	62.2	23%	0.227	31%	0.305	C	S	.	.	S	Bend	trans	152.9	168.2	-175.9	0	0	0	0	0	112.4	E126 I131 F153	E126-G129 PolarHBondContact O-N 2.72Å; E126-G129 VanDerWaalsContact O-N 3.14Å; G129-I131 PolarHBondContact O-N 2.73Å; G129-F153 WeakPolarHBondContact O-CD1 3.27Å
130	K	96.5	Very high	95.1	Very high	132 Å²	132	70.1 Å²	70.1	57%	0.574	33%	0.332	S	S	*	.			trans	-70.2	128.5	-170.5	174.4	-179.8	160.1	-149.1	0	112.1	F153 D154	K130-F153 VanDerWaalsContact O-CA 3.29Å; K130-F153 WeakPolarHBondContact O-CA 3.47Å; K130-D154 WeakPolarHBondContact CD-OD2 3.43Å; K130-D154 IonicContact NZ-OD2 3.92Å; K130-D154 PolarHBondContact O-N 3.07Å
131	I	97.5	Very high	94.7	Very high	12 Å²	12	71.7 Å²	71.7	6%	0.062	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.4	179.5	-61.8	171.9	0	0	0	110.2	R122 F125 E126 G129 I134 V151 F153	R122-I131 HydrophobicContact CG-CD1 4.45Å; F125-I131 HydrophobicContact CB-CD1 3.84Å; E126-I131 HydrophobicContact CB-CD1 4.09Å; G129-I131 PolarHBondContact O-N 2.73Å; I131-I134 HydrophobicContact CD1-CD1 4.3Å; I131-I134 HydrophobicContact CG2-CD1 4.06Å; I131-I134 HydrophobicContact CG2-CG1 3.67Å; I131-V151 HydrophobicContact CB-CG1 4.48Å; I131-V151 HydrophobicContact CD1-CG1 3.98Å; I131-V151 HydrophobicContact CG1-CG1 3.93Å; I131-V151 HydrophobicContact CG2-CG1 3.8Å; I131-F153 HydrophobicContact CD1-CE1 4.44Å; I131-F153 HydrophobicContact CG1-CD1 3.92Å; I131-F153 HydrophobicContact CG1-CE1 3.67Å; I131-F153 HydrophobicContact CG1-CZ 4.44Å
132	E	97.3	Very high	94.3	Very high	106 Å²	106	75 Å²	75	50%	0.495	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-48.6	170.9	-66	-175.7	159.4	0	0	111.8	T152 D154	E132-T152 PolarHBondContact N-O 2.96Å; E132-D154 HydrophobicContact CG-CB 4.04Å; E132-D154 WeakPolarHBondContact OE1-CA 3.45Å
133	V	96.8	Very high	93.9	Very high	68 Å²	68	74 Å²	74	41%	0.412	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137.3	-170.9	-171.4	0	0	0	0	111.6	E135 T152	V133-E135 HydrophobicContact CG1-CG 4.22Å; V133-T152 PolarHBondContact N-O 2.87Å; V133-T152 VanDerWaalsContact N-O 3.17Å; V133-T152 PolarHBondContact O-N 3.14Å
134	I	96.9	Very high	93.6	Very high	18 Å²	18	74.4 Å²	74.4	9%	0.092	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.3	169.8	-58.8	175	0	0	0	108.8	E118 L121 R122 I131 I136 V151	E118-I134 HydrophobicContact CG-CB 3.87Å; E118-I134 HydrophobicContact CG-CD1 3.63Å; E118-I134 HydrophobicContact CG-CG1 4.27Å; E118-I134 HydrophobicContact CG-CG2 3.99Å; L121-I134 HydrophobicContact CB-CD1 4.28Å; L121-I134 HydrophobicContact CB-CG2 4.25Å; L121-I134 HydrophobicContact CD1-CG2 3.71Å; R122-I134 HydrophobicContact CB-CD1 3.73Å; R122-I134 HydrophobicContact CG-CD1 4.48Å; I131-I134 HydrophobicContact CD1-CD1 4.3Å; I131-I134 HydrophobicContact CG2-CD1 4.06Å; I131-I134 HydrophobicContact CG2-CG1 3.67Å; I134-I136 HydrophobicContact CG2-CG1 4.41Å; I134-V151 HydrophobicContact CG1-CG1 4.25Å; I134-V151 HydrophobicContact CG1-CG2 4.32Å; I134-V151 HydrophobicContact CG2-CG2 4.44Å
135	E	95.3	Very high	93.4	Very high	78 Å²	78	74.5 Å²	74.5	36%	0.364	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	97.2	179.7	-76.8	170.8	82.1	0	0	110.1	K106 V133 M137 A149 F150	K106-E135 WeakPolarHBondContact CE-OE2 3.49Å; K106-E135 IonicContact NZ-OE2 2.73Å; K106-E135 PolarHBondContact NZ-OE2 2.84Å; V133-E135 HydrophobicContact CG1-CG 4.22Å; E135-M137 HydrophobicContact CB-SD 4.36Å; E135-M137 PolarHBondContact O-N 3.02Å; E135-A149 CarbonylContact O-C 3.58Å; E135-A149 WeakPolarHBondContact O-CA 3.37Å; E135-A149 WeakPolarHBondContact O-CB 3.34Å; E135-F150 HydrophobicContact CB-CB 4.42Å; E135-F150 PolarHBondContact N-O 3.03Å; E135-F150 PolarHBondContact O-N 2.88Å
136	I	95.4	Very high	93.1	Very high	42 Å²	42	81 Å²	81	22%	0.215	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.1	171.4	-62.3	-179.4	0	0	0	108.7	L121 I134 T138 K145 A149	L121-I136 HydrophobicContact CD1-CD1 3.83Å; L121-I136 HydrophobicContact CD1-CG1 3.66Å; I134-I136 HydrophobicContact CG2-CG1 4.41Å; I136-T138 PolarHBondContact O-N 2.73Å; I136-K145 HydrophobicContact CG2-CB 4.42Å; I136-K145 HydrophobicContact CG2-CD 3.92Å; I136-K145 HydrophobicContact CG2-CG 3.99Å; I136-A149 HydrophobicContact CG1-CB 4.04Å
137	M	94	Very high	93	Very high	50 Å²	50	77.4 Å²	77.4	25%	0.246	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	108.1	-167.8	-64.2	-61.5	-58.3	0	0	111.1	E135 R146 F148 F150	E135-M137 HydrophobicContact CB-SD 4.36Å; E135-M137 PolarHBondContact O-N 3.02Å; M137-R146 VanDerWaalsContact O-CB 3.24Å; M137-R146 WeakPolarHBondContact O-CB 3.05Å; M137-R146 WeakPolarHBondContact O-CG 3.19Å; M137-R146 PolarHBondContact O-N 2.93Å; M137-F148 HydrophobicContact CB-CD2 3.92Å; M137-F148 HydrophobicContact CB-CE1 4.27Å; M137-F148 HydrophobicContact CB-CE2 3.68Å; M137-F148 HydrophobicContact CB-CG 4.36Å; M137-F148 HydrophobicContact CB-CZ 3.85Å; M137-F148 WeakPolarHBondContact CB-O 3.48Å; M137-F148 HydrophobicContact CG-CD2 3.75Å; M137-F148 HydrophobicContact CG-CE2 3.49Å; M137-F148 VanDerWaalsContact CG-CE2 3.49Å; M137-F148 HydrophobicContact CG-CZ 4.13Å; M137-F148 PolarHBondContact N-O 3Å; M137-F150 HydrophobicContact CG-CD2 3.85Å; M137-F150 HydrophobicContact CG-CE2 3.83Å; M137-F150 HydrophobicContact SD-CD2 3.97Å; M137-F150 HydrophobicContact SD-CE2 4.02Å
138	T	92.6	Very high	93	Very high	72 Å²	72	72.9 Å²	72.9	44%	0.442	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	158.7	173.8	52.8	0	0	0	0	112.8	I136 G143 K144 K145 R146	I136-T138 PolarHBondContact O-N 2.73Å; T138-G143 WeakPolarHBondContact CG2-O 3.19Å; T138-K144 CarbonylContact C-O 3.49Å; T138-K144 VanDerWaalsContact CA-O 3.27Å; T138-K144 WeakPolarHBondContact CA-O 3.38Å; T138-K145 HydrophobicContact CG2-CG 4.28Å; T138-R146 VanDerWaalsContact C-CD 3.48Å; T138-R146 WeakPolarHBondContact O-CD 3.48Å
139	D	89.1	Confident	93.1	Very high	67 Å²	67	70.9 Å²	70.9	36%	0.358	38%	0.378	S	S	.	.			trans	-79.8	137.4	168.3	173.1	-111.6	0	0	0	110.6	G141 S142 G143 K144 R146	D139-G141 PolarHBondContact O-N 2.82Å; D139-G141 PolarHBondContact OD1-N 2.94Å; D139-G141 VanDerWaalsContact OD1-N 3.15Å; D139-S142 WeakPolarHBondContact CB-OG 3.29Å; D139-S142 WeakPolarHBondContact OD1-CB 3.28Å; D139-S142 PolarHBondContact OD1-N 3.2Å; D139-S142 PolarHBondContact OD1-OG 3.36Å; D139-G143 VanDerWaalsContact O-CA 3.31Å; D139-G143 WeakPolarHBondContact O-CA 3.48Å; D139-G143 PolarHBondContact O-N 2.74Å; D139-K144 PolarHBondContact N-O 3.14Å; D139-R146 HydrophobicContact CB-CG 4.02Å
140	R	86.2	Confident	93.3	Very high	253 Å²	253	71.5 Å²	71.5	96%	0.955	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.4	-171.4	-70.5	-175.9	172.6	-165.2	-6.2	114.2
141	G	88.2	Confident	93.3	Very high	77 Å²	77	65.2 Å²	65.2	79%	0.794	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-42.2	178	0	0	0	0	0	112.9	D139	D139-G141 PolarHBondContact O-N 2.82Å; D139-G141 PolarHBondContact OD1-N 2.94Å; D139-G141 VanDerWaalsContact OD1-N 3.15Å
142	S	88.8	Confident	93.3	Very high	71 Å²	71	65.6 Å²	65.6	50%	0.497	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-10.8	-173	62.7	0	0	0	0	115	D139 K144	D139-S142 WeakPolarHBondContact CB-OG 3.29Å; D139-S142 WeakPolarHBondContact OD1-CB 3.28Å; D139-S142 PolarHBondContact OD1-N 3.2Å; D139-S142 PolarHBondContact OD1-OG 3.36Å; S142-K144 PolarHBondContact O-N 3.46Å
143	G	87.7	Confident	93.4	Very high	51 Å²	51	60.6 Å²	60.6	53%	0.526	33%	0.326	S	S	.	.			trans	70.6	-9.1	-175	0	0	0	0	0	115	T138 D139	T138-G143 WeakPolarHBondContact CG2-O 3.19Å; D139-G143 VanDerWaalsContact O-CA 3.31Å; D139-G143 WeakPolarHBondContact O-CA 3.48Å; D139-G143 PolarHBondContact O-N 2.74Å
144	K	89.6	Confident	93.3	Very high	121 Å²	121	60 Å²	60	53%	0.526	32%	0.321	S	S	.	.			trans	-64.9	143.9	-176.6	-68.6	-171.6	163.9	-135.8	0	112.5	E114 T138 D139 S142 R146	E114-K144 IonicContact OE1-NZ 3.86Å; T138-K144 CarbonylContact C-O 3.49Å; T138-K144 VanDerWaalsContact CA-O 3.27Å; T138-K144 WeakPolarHBondContact CA-O 3.38Å; D139-K144 PolarHBondContact N-O 3.14Å; S142-K144 PolarHBondContact O-N 3.46Å; K144-R146 PolarHBondContact O-N 2.88Å
145	K	91.9	Very high	93.2	Very high	52 Å²	52	60.8 Å²	60.8	23%	0.226	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.3	174.5	-60.7	178.7	-168.2	163.3	0	109	E114 T116 I136 T138 G147	E114-K145 WeakPolarHBondContact O-CD 3.37Å; E114-K145 WeakPolarHBondContact O-CE 3.25Å; E114-K145 PolarHBondContact O-NZ 3.17Å; T116-K145 WeakPolarHBondContact O-CD 3.37Å; T116-K145 WeakPolarHBondContact O-CE 3.32Å; T116-K145 PolarHBondContact O-NZ 2.88Å; I136-K145 HydrophobicContact CG2-CB 4.42Å; I136-K145 HydrophobicContact CG2-CD 3.92Å; I136-K145 HydrophobicContact CG2-CG 3.99Å; T138-K145 HydrophobicContact CG2-CG 4.28Å; K145-G147 PolarHBondContact O-N 2.88Å
146	R	92.3	Very high	93.2	Very high	138 Å²	138	57.9 Å²	57.9	52%	0.521	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	13.1	-173.2	-62.4	172.6	60.5	-163.9	-3.1	114.2	M137 T138 D139 K144 F148	M137-R146 VanDerWaalsContact O-CB 3.24Å; M137-R146 WeakPolarHBondContact O-CB 3.05Å; M137-R146 WeakPolarHBondContact O-CG 3.19Å; M137-R146 PolarHBondContact O-N 2.93Å; T138-R146 VanDerWaalsContact C-CD 3.48Å; T138-R146 WeakPolarHBondContact O-CD 3.48Å; D139-R146 HydrophobicContact CB-CG 4.02Å; K144-R146 PolarHBondContact O-N 2.88Å; R146-F148 VanDerWaalsContact C-N 3.31Å; R146-F148 HydrophobicContact CB-CD1 3.87Å; R146-F148 HydrophobicContact CB-CE1 3.64Å; R146-F148 WeakPolarHBondContact O-CD1 3.03Å; R146-F148 PolarHBondContact O-N 2.81Å
147	G	93.2	Very high	93.2	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.6	19.5	-176.1	0	0	0	0	0	115.1	G111 I112 K145	G111-G147 PolarHBondContact N-O 3.07Å; I112-G147 PolarHBondContact N-O 3.39Å; I112-G147 VanDerWaalsContact O-CA 3.23Å; I112-G147 WeakPolarHBondContact O-CA 3.45Å; K145-G147 PolarHBondContact O-N 2.88Å
148	F	95.4	Very high	93.3	Very high	35 Å²	35	53.8 Å²	53.8	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.9	171.2	69.9	-83.4	0	0	0	112.9	F108 V109 M137 R146 F150	F108-F148 HydrophobicContact CD2-CB 4.49Å; F108-F148 AromaticContact CD2-CD2 3.94Å; F108-F148 HydrophobicContact CD2-CD2 3.94Å; F108-F148 HydrophobicContact CE2-CB 3.67Å; F108-F148 AromaticContact CE2-CD2 3.44Å; F108-F148 HydrophobicContact CE2-CD2 3.44Å; F108-F148 VanDerWaalsContact CE2-CD2 3.44Å; F108-F148 HydrophobicContact CE2-CE2 4.15Å; F108-F148 AromaticContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CZ-CB 3.87Å; F108-F148 HydrophobicContact CZ-CD2 4.44Å; F108-F148 HydrophobicContact CZ-CG 4.26Å; V109-F148 CarbonylContact O-C 3.57Å; V109-F148 WeakPolarHBondContact O-CA 3.5Å; V109-F148 WeakPolarHBondContact O-CB 3.43Å; M137-F148 HydrophobicContact CB-CD2 3.92Å; M137-F148 HydrophobicContact CB-CE1 4.27Å; M137-F148 HydrophobicContact CB-CE2 3.68Å; M137-F148 HydrophobicContact CB-CG 4.36Å; M137-F148 HydrophobicContact CB-CZ 3.85Å; M137-F148 WeakPolarHBondContact CB-O 3.48Å; M137-F148 HydrophobicContact CG-CD2 3.75Å; M137-F148 HydrophobicContact CG-CE2 3.49Å; M137-F148 VanDerWaalsContact CG-CE2 3.49Å; M137-F148 HydrophobicContact CG-CZ 4.13Å; M137-F148 PolarHBondContact N-O 3Å; R146-F148 VanDerWaalsContact C-N 3.31Å; R146-F148 HydrophobicContact CB-CD1 3.87Å; R146-F148 HydrophobicContact CB-CE1 3.64Å; R146-F148 WeakPolarHBondContact O-CD1 3.03Å; R146-F148 PolarHBondContact O-N 2.81Å; F148-F150 HydrophobicContact CD2-CE2 4.21Å; F148-F150 HydrophobicContact CD2-CZ 4.46Å; F148-F150 AromaticContact CE2-CE2 3.85Å; F148-F150 HydrophobicContact CE2-CE2 3.85Å; F148-F150 HydrophobicContact CE2-CZ 4.15Å
149	A	96.9	Very high	93.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	169.6	174.1	0	0	0	0	0	110.8	V109 I112 L121 E135 I136	V109-A149 PolarHBondContact N-O 2.71Å; V109-A149 PolarHBondContact O-N 2.83Å; I112-A149 HydrophobicContact CD1-CB 3.74Å; L121-A149 HydrophobicContact CD1-CB 3.64Å; E135-A149 CarbonylContact O-C 3.58Å; E135-A149 WeakPolarHBondContact O-CA 3.37Å; E135-A149 WeakPolarHBondContact O-CB 3.34Å; I136-A149 HydrophobicContact CG1-CB 4.04Å
150	F	97.3	Very high	93.6	Very high	34 Å²	34	47.4 Å²	47.4	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.9	161	-59	-87.2	0	0	0	110.3	K106 I107 F108 E135 M137 F148 A180	K106-F150 HydrophobicContact CD-CB 4.42Å; K106-F150 HydrophobicContact CG-CB 4.28Å; K106-F150 HydrophobicContact CG-CD1 4.5Å; I107-F150 WeakPolarHBondContact O-CA 3.1Å; I107-F150 WeakPolarHBondContact O-CB 3.19Å; I107-F150 WeakPolarHBondContact O-CD1 3.29Å; F108-F150 HydrophobicContact CB-CD1 4.12Å; F108-F150 HydrophobicContact CB-CE1 3.96Å; F108-F150 AromaticContact CD2-CE1 3.89Å; F108-F150 HydrophobicContact CD2-CE1 3.89Å; F108-F150 HydrophobicContact CD2-CZ 4.15Å; F108-F150 HydrophobicContact CG-CE1 4.43Å; E135-F150 HydrophobicContact CB-CB 4.42Å; E135-F150 PolarHBondContact N-O 3.03Å; E135-F150 PolarHBondContact O-N 2.88Å; M137-F150 HydrophobicContact CG-CD2 3.85Å; M137-F150 HydrophobicContact CG-CE2 3.83Å; M137-F150 HydrophobicContact SD-CD2 3.97Å; M137-F150 HydrophobicContact SD-CE2 4.02Å; F148-F150 HydrophobicContact CD2-CE2 4.21Å; F148-F150 HydrophobicContact CD2-CZ 4.46Å; F148-F150 AromaticContact CE2-CE2 3.85Å; F148-F150 HydrophobicContact CE2-CE2 3.85Å; F148-F150 HydrophobicContact CE2-CZ 4.15Å; F150-A180 HydrophobicContact CD1-CB 3.85Å; F150-A180 HydrophobicContact CE1-CB 3.99Å
151	V	97.7	Very high	93.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.4	169.4	-178.1	0	0	0	0	107.6	K106 I107 V109 F125 I131 I134 F153	K106-V151 CarbonylContact C-O 3.55Å; K106-V151 WeakPolarHBondContact CA-O 3.39Å; I107-V151 HydrophobicContact CD1-CB 3.97Å; I107-V151 HydrophobicContact CD1-CG2 4.37Å; I107-V151 HydrophobicContact CG1-CB 3.73Å; I107-V151 HydrophobicContact CG1-CG2 4.43Å; I107-V151 PolarHBondContact N-O 3.2Å; I107-V151 PolarHBondContact O-N 2.75Å; I107-V151 VanDerWaalsContact O-N 3.14Å; V109-V151 HydrophobicContact CG2-CG2 4.33Å; F125-V151 HydrophobicContact CD2-CG2 3.95Å; F125-V151 HydrophobicContact CE2-CG2 4.41Å; I131-V151 HydrophobicContact CB-CG1 4.48Å; I131-V151 HydrophobicContact CD1-CG1 3.98Å; I131-V151 HydrophobicContact CG1-CG1 3.93Å; I131-V151 HydrophobicContact CG2-CG1 3.8Å; I134-V151 HydrophobicContact CG1-CG1 4.25Å; I134-V151 HydrophobicContact CG1-CG2 4.32Å; I134-V151 HydrophobicContact CG2-CG2 4.44Å; V151-F153 HydrophobicContact CB-CE2 4.4Å; V151-F153 HydrophobicContact CG1-CD2 4.46Å; V151-F153 HydrophobicContact CG1-CE1 4.41Å; V151-F153 HydrophobicContact CG1-CE2 3.94Å; V151-F153 HydrophobicContact CG1-CZ 3.91Å
152	T	97.8	Very high	94.2	Very high	21 Å²	21	34 Å²	34	13%	0.129	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.6	179.3	-44.5	0	0	0	0	108.5	K105 K106 E132 V133	K105-T152 CarbonylContact O-C 3.47Å; K105-T152 WeakPolarHBondContact O-CA 3.35Å; K106-T152 HydrophobicContact CB-CG2 4.41Å; K106-T152 WeakPolarHBondContact CD-OG1 3.36Å; K106-T152 WeakPolarHBondContact CE-OG1 3.47Å; E132-T152 PolarHBondContact N-O 2.96Å; V133-T152 PolarHBondContact N-O 2.87Å; V133-T152 VanDerWaalsContact N-O 3.17Å; V133-T152 PolarHBondContact O-N 3.14Å
153	F	98	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	166.3	179.6	-63	-89.8	0	0	0	111.3	K105 I107 F125 G129 K130 I131 V151 D155 V159 I162	K105-F153 WeakPolarHBondContact CB-O 3.42Å; K105-F153 PolarHBondContact O-N 2.79Å; I107-F153 HydrophobicContact CD1-CE2 3.9Å; I107-F153 HydrophobicContact CD1-CZ 4.3Å; I107-F153 HydrophobicContact CG1-CE2 4.01Å; F125-F153 HydrophobicContact CB-CE1 4.35Å; F125-F153 HydrophobicContact CB-CZ 3.98Å; F125-F153 HydrophobicContact CG-CZ 4.49Å; G129-F153 WeakPolarHBondContact O-CD1 3.27Å; K130-F153 VanDerWaalsContact O-CA 3.29Å; K130-F153 WeakPolarHBondContact O-CA 3.47Å; I131-F153 HydrophobicContact CD1-CE1 4.44Å; I131-F153 HydrophobicContact CG1-CD1 3.92Å; I131-F153 HydrophobicContact CG1-CE1 3.67Å; I131-F153 HydrophobicContact CG1-CZ 4.44Å; V151-F153 HydrophobicContact CB-CE2 4.4Å; V151-F153 HydrophobicContact CG1-CD2 4.46Å; V151-F153 HydrophobicContact CG1-CE1 4.41Å; V151-F153 HydrophobicContact CG1-CE2 3.94Å; V151-F153 HydrophobicContact CG1-CZ 3.91Å; F153-D155 VanDerWaalsContact C-N 3.27Å; F153-D155 WeakPolarHBondContact CB-O 3.29Å; F153-V159 HydrophobicContact CD2-CG2 3.72Å; F153-V159 HydrophobicContact CE2-CG2 4.24Å; F153-I162 HydrophobicContact CE1-CD1 4.23Å; F153-I162 HydrophobicContact CE2-CD1 3.69Å; F153-I162 HydrophobicContact CZ-CD1 3.32Å
154	D	96.1	Very high	94.4	Very high	55 Å²	55	32.1 Å²	32.1	29%	0.294	15%	0.154	S	C	.	.	S	Bend	trans	-75.2	-16.1	171.1	69.2	-17.2	0	0	0	113.4	K105 K130 E132	K105-D154 WeakPolarHBondContact CD-O 3.45Å; K105-D154 WeakPolarHBondContact CE-O 3.42Å; K105-D154 PolarHBondContact NZ-O 2.96Å; K130-D154 WeakPolarHBondContact CD-OD2 3.43Å; K130-D154 IonicContact NZ-OD2 3.92Å; K130-D154 PolarHBondContact O-N 3.07Å; E132-D154 HydrophobicContact CG-CB 4.04Å; E132-D154 WeakPolarHBondContact OE1-CA 3.45Å
155	D	94.9	Very high	94.2	Very high	36 Å²	36	31 Å²	31	19%	0.193	15%	0.151	C	C	.	.	S	Bend	trans	-140	158	179.1	-175.3	41.4	0	0	0	114.1	R75 F153 D157	R75-D155 IonicContact CZ-OD1 3.56Å; R75-D155 IonicContact CZ-OD2 3.82Å; R75-D155 VanDerWaalsContact CZ-OD2 3.24Å; R75-D155 VanDerWaalsContact NH1-CG 3.26Å; R75-D155 IonicContact NH1-OD1 2.6Å; R75-D155 PolarHBondContact NH1-OD1 3.1Å; R75-D155 IonicContact NH1-OD2 2.87Å; R75-D155 PolarHBondContact NH1-OD2 2.94Å; R75-D155 IonicContact NH2-OD1 2.66Å; R75-D155 IonicContact NH2-OD2 3.8Å; R75-D155 PolarHBondContact NH2-OD2 2.76Å; F153-D155 VanDerWaalsContact C-N 3.27Å; F153-D155 WeakPolarHBondContact CB-O 3.29Å; D155-D157 WeakPolarHBondContact OD2-CB 3.33Å; D155-D157 PolarHBondContact OD2-N 2.68Å
156	H	94.9	Very high	94	Very high	16 Å²	16	31.3 Å²	31.3	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-79.5	-22.6	176.9	74.8	87.4	0	0	0	113.7	R75 T103 S158 V159 D160	R75-H156 PolarHBondContact NH1-CD2 3.45Å; R75-H156 PolarHBondContact NH1-NE2 2.8Å; T103-H156 HydrophobicContact CG2-CB 3.79Å; H156-S158 VanDerWaalsContact C-N 3.27Å; H156-S158 PolarHBondContact O-N 2.99Å; H156-V159 WeakPolarHBondContact O-CA 3.38Å; H156-V159 WeakPolarHBondContact O-CB 3.42Å; H156-V159 PolarHBondContact O-N 3.28Å; H156-V159 VanDerWaalsContact O-N 3.07Å; H156-D160 IonicContact CE1-OD2 3.3Å; H156-D160 IonicContact CG-OD2 2.73Å; H156-D160 IonicContact ND1-OD2 3.02Å; H156-D160 PolarHBondContact ND1-OD2 3.05Å; H156-D160 PolarHBondContact O-N 3.11Å
157	D	95.1	Very high	94.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-37.3	177.9	-175.4	63.4	0	0	0	111.6	M72 R88 D155 V159 D160 K161	M72-D157 HydrophobicContact CE-CB 3.81Å; M72-D157 WeakPolarHBondContact CE-OD1 3.44Å; R88-D157 IonicContact CZ-OD1 3.24Å; R88-D157 VanDerWaalsContact CZ-OD1 3.3Å; R88-D157 IonicContact CZ-OD2 2.97Å; R88-D157 IonicContact NE-OD1 2.76Å; R88-D157 PolarHBondContact NE-OD1 3.44Å; R88-D157 IonicContact NE-OD2 3.98Å; R88-D157 VanDerWaalsContact NH2-CG 3.31Å; R88-D157 IonicContact NH2-OD1 2.88Å; R88-D157 PolarHBondContact NH2-OD1 3.13Å; R88-D157 IonicContact NH2-OD2 3.37Å; R88-D157 PolarHBondContact NH2-OD2 2.59Å; D155-D157 WeakPolarHBondContact OD2-CB 3.33Å; D155-D157 PolarHBondContact OD2-N 2.68Å; D157-V159 VanDerWaalsContact C-N 3.27Å; D157-V159 PolarHBondContact O-N 2.69Å; D157-D160 PolarHBondContact O-N 2.74Å; D157-K161 WeakPolarHBondContact O-CB 3.45Å; D157-K161 WeakPolarHBondContact O-CE 3.39Å; D157-K161 WeakPolarHBondContact O-CG 3.47Å; D157-K161 PolarHBondContact O-N 2.75Å; D157-K161 WeakPolarHBondContact OD2-CE 3.36Å; D157-K161 IonicContact OD2-NZ 3.17Å; D157-K161 PolarHBondContact OD2-NZ 3.39Å
158	S	95.5	Very high	94.2	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.035	14%	0.136	C	C	.	.	H	α-helix	trans	-52.6	-46.7	171.1	-45.8	0	0	0	0	111	H156 I162	H156-S158 VanDerWaalsContact C-N 3.27Å; H156-S158 PolarHBondContact O-N 2.99Å; S158-I162 WeakPolarHBondContact O-CD1 3.3Å; S158-I162 WeakPolarHBondContact O-CG1 3.37Å; S158-I162 PolarHBondContact O-N 3.35Å
159	V	95.8	Very high	94.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-46.8	175.9	175.5	0	0	0	0	111.7	V104 K105 I107 F153 H156 D157 K161 I162 V163 K179	V104-V159 HydrophobicContact CG2-CG1 4.14Å; V104-V159 WeakPolarHBondContact O-CB 3.19Å; V104-V159 WeakPolarHBondContact O-CG2 3.45Å; K105-V159 VanDerWaalsContact C-CG2 3.41Å; I107-V159 HydrophobicContact CG2-CB 4.26Å; I107-V159 HydrophobicContact CG2-CG1 3.72Å; I107-V159 HydrophobicContact CG2-CG2 4.08Å; F153-V159 HydrophobicContact CD2-CG2 3.72Å; F153-V159 HydrophobicContact CE2-CG2 4.24Å; H156-V159 WeakPolarHBondContact O-CA 3.38Å; H156-V159 WeakPolarHBondContact O-CB 3.42Å; H156-V159 PolarHBondContact O-N 3.28Å; H156-V159 VanDerWaalsContact O-N 3.07Å; D157-V159 VanDerWaalsContact C-N 3.27Å; D157-V159 PolarHBondContact O-N 2.69Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 3.12Å; V159-I162 PolarHBondContact O-N 3.42Å; V159-V163 HydrophobicContact CG1-CG1 4.09Å; V159-V163 WeakPolarHBondContact O-CG1 3.37Å; V159-V163 WeakPolarHBondContact O-CG2 3.2Å; V159-V163 PolarHBondContact O-N 2.81Å; V159-K179 HydrophobicContact CG1-CG 3.9Å
160	D	92.9	Very high	94	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.032	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-37.8	-177.6	-72.2	-37	0	0	0	111.8	R88 H156 D157 I164 K179	R88-D160 HydrophobicContact CB-CB 4.24Å; R88-D160 HydrophobicContact CG-CB 4.25Å; H156-D160 IonicContact CE1-OD2 3.3Å; H156-D160 IonicContact CG-OD2 2.73Å; H156-D160 IonicContact ND1-OD2 3.02Å; H156-D160 PolarHBondContact ND1-OD2 3.05Å; H156-D160 PolarHBondContact O-N 3.11Å; D157-D160 PolarHBondContact O-N 2.74Å; D160-I164 VanDerWaalsContact O-CD1 3.3Å; D160-I164 WeakPolarHBondContact O-CD1 3.28Å; D160-I164 VanDerWaalsContact O-CG1 3.32Å; D160-I164 WeakPolarHBondContact O-CG1 3.23Å; D160-K179 WeakPolarHBondContact OD1-CE 3.33Å; D160-K179 IonicContact OD1-NZ 2.77Å; D160-K179 PolarHBondContact OD1-NZ 2.77Å
161	K	92.4	Very high	93.8	Very high	48 Å²	48	32.7 Å²	32.7	21%	0.209	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-51.1	170.5	-77.7	179.6	-67.1	-138.9	0	112.1	Y128 D157 V159	Y128-K161 HydrophobicContact CD1-CB 4.12Å; Y128-K161 WeakPolarHBondContact O-CE 3.46Å; Y128-K161 PolarHBondContact O-NZ 3.27Å; D157-K161 WeakPolarHBondContact O-CB 3.45Å; D157-K161 WeakPolarHBondContact O-CE 3.39Å; D157-K161 WeakPolarHBondContact O-CG 3.47Å; D157-K161 PolarHBondContact O-N 2.75Å; D157-K161 WeakPolarHBondContact OD2-CE 3.36Å; D157-K161 IonicContact OD2-NZ 3.17Å; D157-K161 PolarHBondContact OD2-NZ 3.39Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 3.12Å
162	I	94.2	Very high	93.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-53.9	-174.9	-69.4	164.3	0	0	0	110.3	I107 F125 Y128 F153 S158 V159 I164 Q165 H168 V177	I107-I162 HydrophobicContact CD1-CD1 4.13Å; I107-I162 HydrophobicContact CD1-CG2 4.32Å; I107-I162 HydrophobicContact CG2-CG2 4.5Å; F125-I162 HydrophobicContact CD1-CD1 3.7Å; F125-I162 HydrophobicContact CD1-CG1 4.35Å; F125-I162 HydrophobicContact CE1-CD1 4.23Å; F125-I162 HydrophobicContact CE1-CG2 3.98Å; Y128-I162 HydrophobicContact CD1-CG1 3.67Å; Y128-I162 HydrophobicContact CD2-CD1 3.84Å; Y128-I162 HydrophobicContact CD2-CG1 3.56Å; Y128-I162 HydrophobicContact CE1-CG1 4.04Å; Y128-I162 HydrophobicContact CE2-CG1 3.93Å; Y128-I162 HydrophobicContact CG-CD1 3.86Å; Y128-I162 HydrophobicContact CG-CG1 3.41Å; Y128-I162 VanDerWaalsContact CG-CG1 3.41Å; F153-I162 HydrophobicContact CE1-CD1 4.23Å; F153-I162 HydrophobicContact CE2-CD1 3.69Å; F153-I162 HydrophobicContact CZ-CD1 3.32Å; S158-I162 WeakPolarHBondContact O-CD1 3.3Å; S158-I162 WeakPolarHBondContact O-CG1 3.37Å; S158-I162 PolarHBondContact O-N 3.35Å; V159-I162 PolarHBondContact O-N 3.42Å; I162-I164 PolarHBondContact O-N 2.76Å; I162-Q165 PolarHBondContact O-N 3.16Å; I162-Q165 VanDerWaalsContact O-O 3.04Å; I162-H168 PolarHBondContact O-NE2 3.48Å; I162-V177 HydrophobicContact CG2-CB 4.17Å; I162-V177 HydrophobicContact CG2-CG1 3.46Å; I162-V177 VanDerWaalsContact CG2-CG1 3.46Å
163	V	92.6	Very high	93.3	Very high	27 Å²	27	37.1 Å²	37.1	16%	0.164	20%	0.201	C	C	.	.	H	α-helix	trans	-71.4	-7.2	-167.7	-57.8	0	0	0	0	115.4	I107 V159 Q165 K179	I107-V163 HydrophobicContact CG2-CG1 3.99Å; V159-V163 HydrophobicContact CG1-CG1 4.09Å; V159-V163 WeakPolarHBondContact O-CG1 3.37Å; V159-V163 WeakPolarHBondContact O-CG2 3.2Å; V159-V163 PolarHBondContact O-N 2.81Å; V163-Q165 VanDerWaalsContact C-N 3.31Å; V163-K179 HydrophobicContact CG1-CG 4.1Å; V163-K179 HydrophobicContact CG2-CG 4.16Å
164	I	87.4	Confident	93.1	Very high	56 Å²	56	41.8 Å²	41.8	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-66.4	-37.9	167.2	-63.6	158.8	0	0	0	109.8	L13 R88 D160 I162	L13-I164 HydrophobicContact CD2-CD1 4.17Å; L13-I164 HydrophobicContact CD2-CG2 3.66Å; R88-I164 HydrophobicContact CB-CD1 4.26Å; D160-I164 VanDerWaalsContact O-CD1 3.3Å; D160-I164 WeakPolarHBondContact O-CD1 3.28Å; D160-I164 VanDerWaalsContact O-CG1 3.32Å; D160-I164 WeakPolarHBondContact O-CG1 3.23Å; I162-I164 PolarHBondContact O-N 2.76Å
165	Q	87.1	Confident	93	Very high	96 Å²	96	39.1 Å²	39.1	45%	0.449	21%	0.212	S	C	.	.	S	Bend	trans	-85.2	110.5	169.2	177.4	166	-15.7	0	0	108.8	I162 V163 Y167 H168	I162-Q165 PolarHBondContact O-N 3.16Å; I162-Q165 VanDerWaalsContact O-O 3.04Å; V163-Q165 VanDerWaalsContact C-N 3.31Å; Q165-Y167 VanDerWaalsContact C-N 3.26Å; Q165-Y167 VanDerWaalsContact CG-O 3.24Å; Q165-Y167 WeakPolarHBondContact CG-O 3.33Å; Q165-Y167 PolarHBondContact NE2-O 3.32Å; Q165-Y167 PolarHBondContact O-N 3.03Å; Q165-H168 PolarHBondContact O-CD2 2.89Å; Q165-H168 PolarHBondContact O-NE2 3.35Å
166	K	87.2	Confident	93	Very high	59 Å²	59	39.7 Å²	39.7	26%	0.257	21%	0.213	S	C	.	.	S	Bend	trans	-66.2	-29.5	-178	-168.5	-178.6	-178.3	-133.9	0	113.1	E176 V177	K166-E176 WeakPolarHBondContact CE-OE1 3.48Å; K166-E176 VanDerWaalsContact CE-OE2 3.24Å; K166-E176 WeakPolarHBondContact CE-OE2 3.16Å; K166-E176 HydrophobicContact CG-CG 4.29Å; K166-E176 IonicContact NZ-OE1 3.69Å; K166-E176 PolarHBondContact NZ-OE1 3Å; K166-E176 IonicContact NZ-OE2 3.36Å; K166-E176 PolarHBondContact NZ-OE2 2.92Å; K166-E176 WeakPolarHBondContact O-CA 3.26Å; K166-V177 PolarHBondContact O-N 2.9Å
167	Y	93.8	Very high	93.1	Very high	110 Å²	110	39 Å²	39	43%	0.431	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122	-165.1	-72.1	-60.8	0	0	0	111.2	Q165 N174 C175 E176	Q165-Y167 VanDerWaalsContact C-N 3.26Å; Q165-Y167 VanDerWaalsContact CG-O 3.24Å; Q165-Y167 WeakPolarHBondContact CG-O 3.33Å; Q165-Y167 PolarHBondContact NE2-O 3.32Å; Q165-Y167 PolarHBondContact O-N 3.03Å; Y167-N174 WeakPolarHBondContact CB-OD1 3.45Å; Y167-C175 WeakPolarHBondContact CA-O 3.05Å; Y167-E176 HydrophobicContact CD1-CB 4.27Å; Y167-E176 HydrophobicContact CE1-CB 3.94Å; Y167-E176 HydrophobicContact CE1-CG 4.33Å; Y167-E176 PolarHBondContact OH-OE2 3.03Å
168	H	95.4	Very high	92.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.3	-177.7	-66.3	-98.8	0	0	0	110.6	Y124 Y128 I162 Q165 V170 N174 C175 V177	Y124-H168 HydrophobicContact CE1-CB 3.74Å; Y124-H168 AromaticContact CE1-CG 3.88Å; Y124-H168 AromaticContact CE1-ND1 3.47Å; Y124-H168 WeakPolarHBondContact CE1-ND1 3.42Å; Y124-H168 AromaticContact CZ-ND1 3.6Å; Y124-H168 PolarHBondContact OH-ND1 2.95Å; Y128-H168 PolarHBondContact OH-CE1 2.86Å; Y128-H168 PolarHBondContact OH-ND1 2.82Å; I162-H168 PolarHBondContact O-NE2 3.48Å; Q165-H168 PolarHBondContact O-CD2 2.89Å; Q165-H168 PolarHBondContact O-NE2 3.35Å; H168-V170 HydrophobicContact CB-CG2 4.44Å; H168-N174 CarbonylContact O-C 3.48Å; H168-N174 WeakPolarHBondContact O-CA 3.39Å; H168-N174 PolarHBondContact O-OD1 3.47Å; H168-C175 PolarHBondContact N-O 3.43Å; H168-C175 PolarHBondContact O-N 2.92Å; H168-C175 PolarHBondContact O-SG 3.34Å; H168-V177 HydrophobicContact CB-CG2 4.27Å; H168-V177 VanDerWaalsContact CD2-CG2 3.41Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.41Å
169	T	94.9	Very high	92.9	Very high	87 Å²	87	44.6 Å²	44.6	53%	0.534	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109	175.3	-55.1	0	0	0	0	109.6	H173	T169-H173 CarbonylContact C-O 3.43Å; T169-H173 WeakPolarHBondContact CA-O 3.1Å
170	V	93.9	Very high	92.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130	179.7	-175.4	0	0	0	0	109	H120 L121 Y124 F125 H168 G172 H173	H120-V170 HydrophobicContact CB-CG1 4.42Å; H120-V170 WeakPolarHBondContact O-CG1 3.43Å; L121-V170 HydrophobicContact CD2-CG1 4.22Å; Y124-V170 HydrophobicContact CD1-CG2 3.55Å; Y124-V170 HydrophobicContact CD2-CG2 4.4Å; Y124-V170 HydrophobicContact CE1-CG2 3.98Å; Y124-V170 HydrophobicContact CG-CG2 3.79Å; F125-V170 HydrophobicContact CE2-CG2 4.34Å; F125-V170 HydrophobicContact CZ-CG2 4.35Å; H168-V170 HydrophobicContact CB-CG2 4.44Å; V170-G172 PolarHBondContact O-N 3.27Å; V170-H173 PolarHBondContact N-O 2.94Å; V170-H173 PolarHBondContact O-N 3.22Å
171	N	92.7	Very high	92.6	Very high	61 Å²	61	46.4 Å²	46.4	33%	0.326	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	37.2	-170.4	-163.7	25.9	0	0	0	113.8	D115 T116 H120 H173	D115-N171 VanDerWaalsContact CG-ND2 3.28Å; D115-N171 PolarHBondContact OD1-ND2 2.74Å; T116-N171 HydrophobicContact CG2-CB 4.36Å; H120-N171 HydrophobicContact CB-CB 4.22Å; H120-N171 PolarHBondContact CD2-OD1 3.49Å; H120-N171 VanDerWaalsContact CD2-OD1 3.22Å; H120-N171 PolarHBondContact NE2-OD1 3.04Å; N171-H173 PolarHBondContact O-CD2 3.34Å; N171-H173 PolarHBondContact O-N 2.85Å; N171-H173 VanDerWaalsContact O-N 3.14Å; N171-H173 PolarHBondContact O-NE2 2.81Å
172	G	92.1	Very high	92.3	Very high	68 Å²	68	46.7 Å²	46.7	70%	0.701	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	-6.3	-174.4	0	0	0	0	0	115.6	V170	V170-G172 PolarHBondContact O-N 3.27Å
173	H	91.7	Very high	91.8	Very high	47 Å²	47	55.3 Å²	55.3	22%	0.218	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.7	179.4	-55.4	-61.3	0	0	0	111.5	K113 D115 T169 V170 N171 C175	K113-H173 HydrophobicContact CG-CB 4.4Å; K113-H173 VanDerWaalsContact CG-CE1 3.47Å; K113-H173 WeakPolarHBondContact CG-CE1 3.48Å; K113-H173 WeakPolarHBondContact CG-ND1 3.32Å; K113-H173 WeakPolarHBondContact CG-NE2 3.42Å; D115-H173 IonicContact OD1-CD2 3.5Å; D115-H173 PolarHBondContact OD1-CD2 3.39Å; D115-H173 IonicContact OD1-NE2 3.26Å; D115-H173 PolarHBondContact OD1-NE2 2.87Å; D115-H173 IonicContact OD2-CD2 3.78Å; D115-H173 IonicContact OD2-CE1 3.57Å; D115-H173 IonicContact OD2-NE2 2.76Å; D115-H173 PolarHBondContact OD2-NE2 2.75Å; T169-H173 CarbonylContact C-O 3.43Å; T169-H173 WeakPolarHBondContact CA-O 3.1Å; V170-H173 PolarHBondContact N-O 2.94Å; V170-H173 PolarHBondContact O-N 3.22Å; N171-H173 PolarHBondContact O-CD2 3.34Å; N171-H173 PolarHBondContact O-N 2.85Å; N171-H173 VanDerWaalsContact O-N 3.14Å; N171-H173 PolarHBondContact O-NE2 2.81Å; H173-C175 PolarHBondContact O-N 2.81Å
174	N	94	Very high	91.4	Very high	97 Å²	97	61.9 Å²	61.9	52%	0.519	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.7	174.7	-175.9	25.7	0	0	0	110.9	Y167 H168	Y167-N174 WeakPolarHBondContact CB-OD1 3.45Å; H168-N174 CarbonylContact O-C 3.48Å; H168-N174 WeakPolarHBondContact O-CA 3.39Å; H168-N174 PolarHBondContact O-OD1 3.47Å
175	C	95	Very high	91.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.5	179.1	66.9	0	0	0	0	112.1	V109 G110 I112 Y167 H168 H173	V109-C175 HydrophobicContact CG1-CB 4.06Å; G110-C175 CarbonylContact O-C 3.58Å; G110-C175 WeakPolarHBondContact O-CA 3.45Å; G110-C175 VanDerWaalsContact O-CB 3.23Å; G110-C175 WeakPolarHBondContact O-CB 3.35Å; I112-C175 HydrophobicContact CG2-CB 4.03Å; Y167-C175 WeakPolarHBondContact CA-O 3.05Å; H168-C175 PolarHBondContact N-O 3.43Å; H168-C175 PolarHBondContact O-N 2.92Å; H168-C175 PolarHBondContact O-SG 3.34Å; H173-C175 PolarHBondContact O-N 2.81Å
176	E	95	Very high	90.8	Very high	48 Å²	48	62 Å²	62	22%	0.224	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.6	171.6	178.9	165.5	151.3	0	0	109.5	G110 K166 Y167 R178	G110-E176 PolarHBondContact N-O 2.86Å; G110-E176 PolarHBondContact O-N 3.06Å; K166-E176 WeakPolarHBondContact CE-OE1 3.48Å; K166-E176 VanDerWaalsContact CE-OE2 3.24Å; K166-E176 WeakPolarHBondContact CE-OE2 3.16Å; K166-E176 HydrophobicContact CG-CG 4.29Å; K166-E176 IonicContact NZ-OE1 3.69Å; K166-E176 PolarHBondContact NZ-OE1 3Å; K166-E176 IonicContact NZ-OE2 3.36Å; K166-E176 PolarHBondContact NZ-OE2 2.92Å; K166-E176 WeakPolarHBondContact O-CA 3.26Å; Y167-E176 HydrophobicContact CD1-CB 4.27Å; Y167-E176 HydrophobicContact CE1-CB 3.94Å; Y167-E176 HydrophobicContact CE1-CG 4.33Å; Y167-E176 PolarHBondContact OH-OE2 3.03Å; E176-R178 HydrophobicContact CG-CG 4.23Å; E176-R178 WeakPolarHBondContact OE1-CD 2.83Å; E176-R178 IonicContact OE1-NH1 2.83Å; E176-R178 PolarHBondContact OE1-NH1 2.81Å; E176-R178 VanDerWaalsContact OE1-NH1 3.1Å
177	V	95.4	Very high	90.6	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.4	-178.8	-171.3	0	0	0	0	111.2	I107 F108 V109 F125 I162 K166 H168	I107-V177 HydrophobicContact CB-CG1 3.91Å; I107-V177 HydrophobicContact CD1-CG1 3.81Å; I107-V177 HydrophobicContact CG1-CG1 4.4Å; I107-V177 HydrophobicContact CG2-CG1 4.01Å; F108-V177 WeakPolarHBondContact O-CA 3.02Å; V109-V177 HydrophobicContact CG1-CG2 4.28Å; V109-V177 HydrophobicContact CG2-CG1 4.36Å; V109-V177 HydrophobicContact CG2-CG2 4.37Å; F125-V177 HydrophobicContact CE1-CG2 4.39Å; F125-V177 HydrophobicContact CZ-CG2 3.98Å; I162-V177 HydrophobicContact CG2-CB 4.17Å; I162-V177 HydrophobicContact CG2-CG1 3.46Å; I162-V177 VanDerWaalsContact CG2-CG1 3.46Å; K166-V177 PolarHBondContact O-N 2.9Å; H168-V177 HydrophobicContact CB-CG2 4.27Å; H168-V177 VanDerWaalsContact CD2-CG2 3.41Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.41Å
178	R	92.9	Very high	89.9	Confident	103 Å²	103	60 Å²	60	39%	0.389	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.3	-173.9	-61.5	171.3	72	138.8	-9.5	111	I107 F108 E176 A180	I107-R178 CarbonylContact C-O 3.52Å; I107-R178 VanDerWaalsContact CA-O 3.3Å; I107-R178 WeakPolarHBondContact CA-O 2.93Å; F108-R178 PolarHBondContact N-O 3.45Å; F108-R178 PolarHBondContact O-N 2.91Å; E176-R178 HydrophobicContact CG-CG 4.23Å; E176-R178 WeakPolarHBondContact OE1-CD 2.83Å; E176-R178 IonicContact OE1-NH1 2.83Å; E176-R178 PolarHBondContact OE1-NH1 2.81Å; E176-R178 VanDerWaalsContact OE1-NH1 3.1Å; R178-A180 PolarHBondContact O-N 3.42Å
179	K	94.8	Very high	88.7	Confident	22 Å²	22	60.7 Å²	60.7	10%	0.096	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	128.7	165.2	-71.8	-170.8	171.2	-176	0	109.8	A100 L102 V104 V159 D160 V163 L181	A100-K179 WeakPolarHBondContact O-CE 3.29Å; A100-K179 PolarHBondContact O-NZ 3.21Å; L102-K179 PolarHBondContact O-NZ 3.43Å; V104-K179 HydrophobicContact CG2-CB 3.74Å; V104-K179 HydrophobicContact CG2-CD 4.04Å; V104-K179 HydrophobicContact CG2-CG 3.83Å; V159-K179 HydrophobicContact CG1-CG 3.9Å; D160-K179 WeakPolarHBondContact OD1-CE 3.33Å; D160-K179 IonicContact OD1-NZ 2.77Å; D160-K179 PolarHBondContact OD1-NZ 2.77Å; V163-K179 HydrophobicContact CG1-CG 4.1Å; V163-K179 HydrophobicContact CG2-CG 4.16Å; K179-L181 PolarHBondContact O-N 2.69Å
180	A	93.6	Very high	87.1	Confident	13 Å²	13	59.9 Å²	59.9	11%	0.107	33%	0.333	C	S	.	.			trans	-76	115.8	178.3	0	0	0	0	0	110	K106 F150 R178	K106-A180 HydrophobicContact CB-CB 3.96Å; K106-A180 HydrophobicContact CD-CB 4.43Å; K106-A180 HydrophobicContact CG-CB 3.81Å; K106-A180 VanDerWaalsContact O-CB 3.24Å; K106-A180 WeakPolarHBondContact O-CB 3.2Å; K106-A180 PolarHBondContact O-N 2.8Å; F150-A180 HydrophobicContact CD1-CB 3.85Å; F150-A180 HydrophobicContact CE1-CB 3.99Å; R178-A180 PolarHBondContact O-N 3.42Å
181	L	89.7	Confident	85.4	Confident	31 Å²	31	63.4 Å²	63.4	16%	0.162	36%	0.358	C	S	.	.			trans	-86.3	143.9	173.3	-58.6	-177.2	0	0	0	110.1	L102 K179 E185 M186 A189	L102-L181 HydrophobicContact CD1-CD2 3.69Å; K179-L181 PolarHBondContact O-N 2.69Å; L181-E185 HydrophobicContact CB-CB 3.9Å; L181-E185 HydrophobicContact CD2-CB 4.43Å; L181-M186 HydrophobicContact CB-CG 3.7Å; L181-A189 HydrophobicContact CD1-CB 4.31Å
182	S	85.3	Confident	83.4	Confident	53 Å²	53	64.1 Å²	64.1	37%	0.371	37%	0.368	S	S	.	.			trans	-63.4	166.6	169.6	71.3	0	0	0	0	111.4	Q184 E185 M186	S182-Q184 PolarHBondContact O-N 3.41Å; S182-E185 WeakPolarHBondContact CA-OE2 3.46Å; S182-E185 WeakPolarHBondContact CB-OE2 3.16Å; S182-E185 PolarHBondContact N-OE2 3.37Å; S182-E185 PolarHBondContact O-N 3.29Å; S182-E185 WeakPolarHBondContact OG-CG 3.3Å; S182-E185 PolarHBondContact OG-N 2.85Å; S182-E185 PolarHBondContact OG-OE2 3.13Å; S182-M186 WeakPolarHBondContact O-CG 3.35Å; S182-M186 PolarHBondContact O-N 3.08Å
183	K	84.1	Confident	81.5	Confident	182 Å²	182	68.2 Å²	68.2	79%	0.791	37%	0.369	S	S	*	.	H	α-helix	trans	-59	-30.2	176.8	-64.4	179.5	-176.7	171.7	0	113.1	M186 A187	K183-M186 HydrophobicContact CG-CE 4.38Å; K183-A187 PolarHBondContact O-N 3.22Å
184	Q	84	Confident	79.3	Confident	164 Å²	164	76.6 Å²	76.6	77%	0.766	40%	0.399	S	S	*	.	H	α-helix	trans	-75.4	-44.6	177.6	-68.6	177.1	-13.8	0	0	111	S182 A187 S188	S182-Q184 PolarHBondContact O-N 3.41Å; Q184-A187 WeakPolarHBondContact O-CB 3.48Å; Q184-A187 PolarHBondContact O-N 2.66Å; Q184-A187 VanDerWaalsContact O-N 3.13Å; Q184-S188 PolarHBondContact O-N 3.12Å; Q184-S188 PolarHBondContact O-OG 3.07Å
185	E	82	Confident	77.2	Confident	66 Å²	66	75.1 Å²	75.1	31%	0.308	41%	0.406	S	S	.	.	H	α-helix	trans	-66.8	-35.4	176.3	-68.3	160.1	122.4	0	0	112.5	L102 L181 S182 A187 S188 A189	L102-E185 VanDerWaalsContact CD1-OE1 3.25Å; L102-E185 WeakPolarHBondContact CD1-OE1 3.17Å; L181-E185 HydrophobicContact CB-CB 3.9Å; L181-E185 HydrophobicContact CD2-CB 4.43Å; S182-E185 WeakPolarHBondContact CA-OE2 3.46Å; S182-E185 WeakPolarHBondContact CB-OE2 3.16Å; S182-E185 PolarHBondContact N-OE2 3.37Å; S182-E185 PolarHBondContact O-N 3.29Å; S182-E185 WeakPolarHBondContact OG-CG 3.3Å; S182-E185 PolarHBondContact OG-N 2.85Å; S182-E185 PolarHBondContact OG-OE2 3.13Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.25Å; E185-S188 PolarHBondContact O-OG 3.46Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 3.37Å
186	M	80.3	Confident	75	Confident	88 Å²	88	86.3 Å²	86.3	43%	0.433	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-35	170.7	-73.5	-166.6	-74	0	0	112.3	L181 S182 K183 S190	L181-M186 HydrophobicContact CB-CG 3.7Å; S182-M186 WeakPolarHBondContact O-CG 3.35Å; S182-M186 PolarHBondContact O-N 3.08Å; K183-M186 HydrophobicContact CG-CE 4.38Å; M186-S190 VanDerWaalsContact O-CB 3.28Å; M186-S190 WeakPolarHBondContact O-CB 3.41Å; M186-S190 PolarHBondContact O-N 3.36Å; M186-S190 PolarHBondContact O-OG 3.39Å
187	A	82.7	Confident	72.4	Confident	60 Å²	60	89.4 Å²	89.4	50%	0.496	48%	0.475	S	S	.	.	H	α-helix	trans	-70.3	-43.1	177.8	0	0	0	0	0	112.1	K183 Q184 E185 S190 S191	K183-A187 PolarHBondContact O-N 3.22Å; Q184-A187 WeakPolarHBondContact O-CB 3.48Å; Q184-A187 PolarHBondContact O-N 2.66Å; Q184-A187 VanDerWaalsContact O-N 3.13Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.25Å; A187-S190 PolarHBondContact O-N 3.11Å; A187-S191 PolarHBondContact O-N 2.98Å; A187-S191 PolarHBondContact O-OG 3.38Å
188	S	77.9	Confident	69.8	Low	68 Å²	68	93 Å²	93	48%	0.476	51%	0.513	S	S	.	.	H	α-helix	trans	-72.1	-34	176.3	59.8	0	0	0	0	113.2	Q184 E185 S190 S191 S192	Q184-S188 PolarHBondContact O-N 3.12Å; Q184-S188 PolarHBondContact O-OG 3.07Å; E185-S188 PolarHBondContact O-OG 3.46Å; S188-S190 VanDerWaalsContact C-N 3.3Å; S188-S190 PolarHBondContact O-N 3.3Å; S188-S191 PolarHBondContact O-OG 2.6Å; S188-S192 PolarHBondContact O-N 3.37Å; S188-S192 PolarHBondContact O-OG 3.47Å
189	A	71	Confident	67.4	Low	14 Å²	14	94.2 Å²	94.2	12%	0.116	54%	0.537	C	S	.	.	H	α-helix	trans	-64.7	-33.5	170.2	0	0	0	0	0	112.4	P98 L181 E185 S192	P98-A189 HydrophobicContact CB-CB 3.56Å; P98-A189 HydrophobicContact CG-CB 3.96Å; L181-A189 HydrophobicContact CD1-CB 4.31Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 3.37Å; A189-S192 PolarHBondContact O-OG 3.29Å; A189-S192 VanDerWaalsContact O-OG 3.1Å
190	S	61.7	Low	64.8	Low	70 Å²	70	95.7 Å²	95.7	49%	0.49	56%	0.558	S	S	.	*	H	α-helix	trans	-79.3	-36	179.1	-60.3	0	0	0	0	113.4	M186 A187 S188 R194	M186-S190 VanDerWaalsContact O-CB 3.28Å; M186-S190 WeakPolarHBondContact O-CB 3.41Å; M186-S190 PolarHBondContact O-N 3.36Å; M186-S190 PolarHBondContact O-OG 3.39Å; A187-S190 PolarHBondContact O-N 3.11Å; S188-S190 VanDerWaalsContact C-N 3.3Å; S188-S190 PolarHBondContact O-N 3.3Å; S190-R194 PolarHBondContact O-N 1.8Å
191	S	57	Low	62.3	Low	77 Å²	77	102.9 Å²	102.9	54%	0.538	60%	0.595	S	S	.	*	H	α-helix	trans	-69.7	-39.6	178.5	62.5	0	0	0	0	112.3	A187 S188 Q193 R194 G195	A187-S191 PolarHBondContact O-N 2.98Å; A187-S191 PolarHBondContact O-OG 3.38Å; S188-S191 PolarHBondContact O-OG 2.6Å; S191-Q193 VanDerWaalsContact C-N 3.3Å; S191-Q193 PolarHBondContact O-N 3.24Å; S191-R194 PolarHBondContact O-N 3.06Å; S191-R194 VanDerWaalsContact O-N 3.17Å; S191-G195 PolarHBondContact O-N 3.44Å; S191-G195 VanDerWaalsContact O-N 3.15Å
192	S	52.3	Low	60	Low	75 Å²	75	110.9 Å²	110.9	52%	0.524	63%	0.629	S	S	.	*	H	α-helix	trans	-63.2	-29.9	178.2	47.8	0	0	0	0	113.7	S188 A189	S188-S192 PolarHBondContact O-N 3.37Å; S188-S192 PolarHBondContact O-OG 3.47Å; A189-S192 PolarHBondContact O-OG 3.29Å; A189-S192 VanDerWaalsContact O-OG 3.1Å
193	Q	51.4	Low	57.9	Low	155 Å²	155	112.1 Å²	112.1	72%	0.724	65%	0.65	S	S	*	*	H	α-helix	trans	-79.1	-30.7	172.7	-70	-166.8	-33.7	0	0	113.8	S191	S191-Q193 VanDerWaalsContact C-N 3.3Å; S191-Q193 PolarHBondContact O-N 3.24Å
194	R	46.1	Very low	56	Low	223 Å²	223	106.8 Å²	106.8	84%	0.842	65%	0.647	S	S	*	*	H	α-helix	trans	-80.2	-15	178.1	-76.1	-176	171.2	176.4	-2.7	114.4	S190 S191	S190-R194 PolarHBondContact O-N 1.8Å; S191-R194 PolarHBondContact O-N 3.06Å; S191-R194 VanDerWaalsContact O-N 3.17Å
195	G	48.5	Very low	53.8	Low	65 Å²	65	102.2 Å²	102.2	67%	0.67	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-10.3	-179.2	0	0	0	0	0	116.4	S191	S191-G195 PolarHBondContact O-N 3.44Å; S191-G195 VanDerWaalsContact O-N 3.15Å
196	R	49	Very low	51.9	Low	236 Å²	236	111.4 Å²	111.4	89%	0.891	68%	0.676	S	S	*	*	S	Bend	trans	-112.8	8.3	-167.3	-145.2	175.1	-174.6	172.4	1.8	116
197	S	41.1	Very low	50	Low	112 Å²	112	111.3 Å²	111.3	78%	0.783	70%	0.697	S	S	*	*	S	Bend	trans	-144.2	117.9	169.6	-173.5	0	0	0	0	109.2
198	G	40.6	Very low	47.9	Very low	77 Å²	77	112.7 Å²	112.7	79%	0.794	72%	0.717	S	S	*	*			trans	107.1	19	172.5	0	0	0	0	0	118.4	G200	G198-G200 PolarHBondContact O-N 2.67Å
199	S	43.3	Very low	46	Very low	127 Å²	127	113.2 Å²	113.2	89%	0.888	73%	0.733	S	S	*	*			trans	-79.9	69	157.4	-164.1	0	0	0	0	109.8
200	G	39.8	Very low	44.5	Very low	54 Å²	54	123.2 Å²	123.2	56%	0.557	78%	0.775	S	S	*	*			trans	-70.7	127.9	172	0	0	0	0	0	109.5	G198 F202	G198-G200 PolarHBondContact O-N 2.67Å; G200-F202 PolarHBondContact O-N 2.66Å
201	N	40.8	Very low	43.6	Very low	163 Å²	163	123.7 Å²	123.7	87%	0.872	79%	0.79	S	S	*	*			trans	-73.5	69.3	-174.7	-171.2	80.9	0	0	0	112.4
202	F	42	Very low	42.8	Very low	199 Å²	199	123.6 Å²	123.6	87%	0.873	80%	0.802	S	S	*	*			trans	-107.9	55.4	176	-84.5	-81.5	0	0	0	111.5	G200 G204	G200-F202 PolarHBondContact O-N 2.66Å; F202-G204 PolarHBondContact O-N 2.97Å
203	G	40.9	Very low	42.1	Very low	79 Å²	79	126.8 Å²	126.8	81%	0.814	81%	0.813	S	S	*	*			trans	-69	38.6	160.7	0	0	0	0	0	113.1	G205	G203-G205 PolarHBondContact O-N 3.46Å
204	G	42.6	Very low	41.8	Very low	70 Å²	70	127 Å²	127	72%	0.722	82%	0.819	S	S	*	*			trans	-83.8	92.2	177.9	0	0	0	0	0	109.9	F202	F202-G204 PolarHBondContact O-N 2.97Å
205	G	39	Very low	41.7	Very low	69 Å²	69	122 Å²	122	71%	0.711	81%	0.809	S	S	*	*			trans	-71.5	154.3	-166.9	0	0	0	0	0	115.7	G203	G203-G205 PolarHBondContact O-N 3.46Å
206	R	41.7	Very low	41.4	Very low	259 Å²	259	128.6 Å²	128.6	98%	0.977	82%	0.82	S	S	*	*			trans	-162.8	120	157.8	-107.5	167.8	-169.4	-162.8	2.2	111.3
207	G	41.1	Very low	41	Very low	86 Å²	86	120.8 Å²	120.8	89%	0.887	81%	0.812	S	S	*	*			trans	97.5	134.5	157.7	0	0	0	0	0	117.7
208	G	38.5	Very low	41	Very low	89 Å²	89	127.8 Å²	127.8	92%	0.918	82%	0.821	S	S	*	*			trans	112.1	100.5	165.2	0	0	0	0	0	115.1
209	G	38.5	Very low	40.9	Very low	78 Å²	78	127.9 Å²	127.9	80%	0.804	82%	0.822	S	S	*	*			trans	160.2	67.8	175.3	0	0	0	0	0	114.9
210	F	39.4	Very low	40.7	Very low	225 Å²	225	125.4 Å²	125.4	99%	0.987	82%	0.816	S	S	*	*			trans	-85.2	132.9	167.4	-78.1	-95.2	0	0	0	110.2
211	G	42.1	Very low	40.5	Very low	79 Å²	79	129.4 Å²	129.4	81%	0.814	83%	0.825	S	S	*	*			trans	142.5	150.4	169.7	0	0	0	0	0	113.6
212	G	39.6	Very low	40.4	Very low	76 Å²	76	130.5 Å²	130.5	78%	0.784	82%	0.822	S	S	*	*			trans	97.4	85.6	179	0	0	0	0	0	113.5
213	N	39.1	Very low	40.3	Very low	141 Å²	141	126.3 Å²	126.3	75%	0.754	82%	0.818	S	S	*	*			trans	-107.5	93.1	170.7	174.2	98.5	0	0	0	108.4
214	D	44.8	Very low	40.3	Very low	161 Å²	161	126.1 Å²	126.1	86%	0.861	82%	0.816	S	S	*	*			trans	-112.7	136.4	173.3	-77.1	-66.9	0	0	0	110.7
215	N	42.7	Very low	40.2	Very low	118 Å²	118	135 Å²	135	63%	0.631	83%	0.828	S	S	*	*			trans	-105.1	-176.4	-166.9	-124.7	-49.8	0	0	0	111.1
216	F	42.7	Very low	40.2	Very low	203 Å²	203	135.6 Å²	135.6	89%	0.89	83%	0.834	S	S	*	*			trans	71.8	127.7	171.8	-37.9	-76.5	0	0	0	115.8
217	G	41.5	Very low	40.1	Very low	71 Å²	71	126.7 Å²	126.7	73%	0.732	82%	0.823	S	S	*	*			cis	169.8	145.2	-11.4	0	0	0	0	0	114.4
218	R	40.8	Very low	40.2	Very low	260 Å²	260	133.1 Å²	133.1	98%	0.981	83%	0.827	S	S	*	*			trans	46.3	120.1	158	-61.6	-175.1	177.2	-149	0.4	120.8
219	G	37.9	Very low	40.2	Very low	79 Å²	79	132.4 Å²	132.4	81%	0.814	82%	0.82	S	S	*	*				125.8	137.5	123	0	0	0	0	0	118.5
220	G	38.6	Very low	40.3	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	82%	0.818	S	S	*	*			trans	73.8	106.2	172.2	0	0	0	0	0	114.3
221	N	35.7	Very low	40.4	Very low	139 Å²	139	126.8 Å²	126.8	74%	0.743	81%	0.808	S	S	*	*			cis	66.3	99.6	22.6	-156.8	45.4	0	0	0	114.9
222	F	40.2	Very low	40.3	Very low	185 Å²	185	134.5 Å²	134.5	81%	0.811	81%	0.812	S	S	*	*				-172.4	126.2	125.6	-109.6	-73.1	0	0	0	114.6
223	S	38.5	Very low	40.2	Very low	111 Å²	111	135 Å²	135	78%	0.776	82%	0.818	S	S	*	*			trans	45.6	121.2	150.1	57.7	0	0	0	0	123.2
224	G	41.7	Very low	40.2	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	82%	0.822	S	S	*	*			trans	175.1	60.4	163.7	0	0	0	0	0	114.1
225	R	41	Very low	39.7	Very low	256 Å²	256	128.6 Å²	128.6	97%	0.966	82%	0.823	S	S	*	*				81.3	99.4	99.1	-168.5	-171.5	-171.7	-165.5	3.4	115.2
226	G	38.4	Very low	39.4	Very low	82 Å²	82	126.5 Å²	126.5	85%	0.845	83%	0.829	S	S	*	*			trans	96.9	137	166.8	0	0	0	0	0	114.1
227	G	39.4	Very low	39.1	Very low	72 Å²	72	127.6 Å²	127.6	74%	0.742	83%	0.829	S	S	*	*			cis	-165.5	176.1	-1.7	0	0	0	0	0	113.8
228	F	42.6	Very low	39	Very low	220 Å²	220	128 Å²	128	97%	0.965	83%	0.833	S	S	*	*			trans	-45.5	155.2	178.6	-45.6	-94.6	0	0	0	115.1
229	G	40	Very low	38.9	Very low	74 Å²	74	119 Å²	119	76%	0.763	82%	0.82	S	S	*	*			cis	154	162.1	-1.3	0	0	0	0	0	112.2
230	G	39.5	Very low	39	Very low	74 Å²	74	121.5 Å²	121.5	76%	0.763	83%	0.826	S	S	*	*			trans	80.1	122.6	178.1	0	0	0	0	0	113.8
231	S	41.9	Very low	39.2	Very low	111 Å²	111	121.6 Å²	121.6	78%	0.776	83%	0.826	S	S	*	*			cis	102.6	104.9	32.7	-73.2	0	0	0	0	113.8
232	R	39.8	Very low	39.5	Very low	242 Å²	242	120.7 Å²	120.7	91%	0.913	82%	0.821	S	S	*	*			trans	58.6	102.2	142.1	-56.4	-179.8	-177.1	-173.6	-0.1	119.2
233	G	37.3	Very low	39.6	Very low	87 Å²	87	115.7 Å²	115.7	90%	0.897	82%	0.822	S	S	*	*				79.5	129.7	104.5	0	0	0	0	0	119.5
234	G	38.4	Very low	39.7	Very low	82 Å²	82	118.6 Å²	118.6	85%	0.845	82%	0.817	S	S	*	*			trans	164.7	128.3	171.9	0	0	0	0	0	109.6
235	G	35.4	Very low	39.7	Very low	85 Å²	85	122.1 Å²	122.1	88%	0.876	82%	0.819	S	S	*	*			trans	-90.1	154.3	178.8	0	0	0	0	0	112.4
236	G	36.4	Very low	39.7	Very low	73 Å²	73	113.6 Å²	113.6	75%	0.753	81%	0.81	S	S	*	*			trans	-150.2	131.6	179.8	0	0	0	0	0	112.1
237	Y	35.7	Very low	39.8	Very low	227 Å²	227	119.7 Å²	119.7	89%	0.89	81%	0.813	S	S	*	*			trans	-79.9	162.9	-178.6	38.9	-94.1	0	0	0	113
238	G	39.8	Very low	40	Very low	80 Å²	80	119.6 Å²	119.6	83%	0.825	81%	0.812	S	S	*	*			trans	97.7	152	165.7	0	0	0	0	0	115.4
239	G	39.7	Very low	39.9	Very low	69 Å²	69	116.1 Å²	116.1	71%	0.711	80%	0.804	S	S	*	*			cis	156.2	117.6	-8.1	0	0	0	0	0	113.5
240	S	39.8	Very low	40.2	Very low	133 Å²	133	119.4 Å²	119.4	93%	0.93	80%	0.804	S	S	*	*			trans	61.8	156.2	176.1	-58.9	0	0	0	0	117.1
241	G	42.4	Very low	40.2	Very low	75 Å²	75	119.8 Å²	119.8	77%	0.773	81%	0.808	S	S	*	*			trans	154.2	60.2	-174.8	0	0	0	0	0	113.1
242	D	41.4	Very low	40.1	Very low	120 Å²	120	118 Å²	118	64%	0.642	81%	0.808	S	S	*	*			trans	-64.4	149.1	-175.1	-58.7	-107.5	0	0	0	114.4	Y244	D242-Y244 HydrophobicContact CB-CD1 4.37Å; D242-Y244 HydrophobicContact CB-CE1 3.53Å; D242-Y244 HydrophobicContact CB-CE2 4.36Å; D242-Y244 WeakPolarHBondContact CB-OH 3.48Å
243	G	42.7	Very low	40.2	Very low	81 Å²	81	117.6 Å²	117.6	84%	0.835	81%	0.808	S	S	*	*			trans	-153.5	88.4	178	0	0	0	0	0	112
244	Y	40.6	Very low	40.4	Very low	171 Å²	171	117.1 Å²	117.1	67%	0.671	80%	0.803	S	S	*	*			trans	-94.1	168	-175.4	-7.6	-99	0	0	0	113.8	D242	D242-Y244 HydrophobicContact CB-CD1 4.37Å; D242-Y244 HydrophobicContact CB-CE1 3.53Å; D242-Y244 HydrophobicContact CB-CE2 4.36Å; D242-Y244 WeakPolarHBondContact CB-OH 3.48Å
245	N	41.6	Very low	40.4	Very low	151 Å²	151	117.2 Å²	117.2	81%	0.807	80%	0.804	S	S	*	*			trans	92.5	124.1	166.5	-50	-57.9	0	0	0	117.1
246	G	40.5	Very low	40.6	Very low	76 Å²	76	117.4 Å²	117.4	78%	0.784	81%	0.806	S	S	*	*			trans	162.6	53.2	178.8	0	0	0	0	0	113.5
247	F	42.1	Very low	40.9	Very low	210 Å²	210	117.4 Å²	117.4	92%	0.921	81%	0.806	S	S	*	*			trans	-87.2	145.1	-179.1	-75.9	-86.5	0	0	0	112.9
248	G	42.5	Very low	41.3	Very low	70 Å²	70	112.8 Å²	112.8	72%	0.722	80%	0.804	S	S	*	*			trans	106.9	147.6	172.3	0	0	0	0	0	114
249	N	40.7	Very low	41.1	Very low	148 Å²	148	112.8 Å²	112.8	79%	0.791	80%	0.804	S	S	*	*			cis	-155.5	144.6	-3.5	-174.4	-113.3	0	0	0	110.8
250	D	45.6	Very low	41.1	Very low	142 Å²	142	120.7 Å²	120.7	76%	0.759	81%	0.814	S	S	*	*			trans	32.1	134.1	160.8	-70	-127.2	0	0	0	124.5
251	G	40.4	Very low	41	Very low	83 Å²	83	120.4 Å²	120.4	86%	0.856	81%	0.812	S	S	*	*			trans	102.1	130	138.5	0	0	0	0	0	118.1
252	G	39.3	Very low	40.7	Very low	74 Å²	74	120.6 Å²	120.6	76%	0.763	81%	0.814	S	S	*	*			cis	169.3	-8.8	-4.4	0	0	0	0	0	118
253	Y	42.3	Very low	40.6	Very low	232 Å²	232	118.2 Å²	118.2	91%	0.91	82%	0.818	S	S	*	*			trans	-160.8	152.8	-178.6	45.7	-96.3	0	0	0	112.1
254	G	40.7	Very low	40.3	Very low	78 Å²	78	120.6 Å²	120.6	80%	0.804	82%	0.822	S	S	*	*			cis	153.9	87.6	-6	0	0	0	0	0	113.3
255	G	39.3	Very low	40.3	Very low	84 Å²	84	122.8 Å²	122.8	87%	0.866	83%	0.829	S	S	*	*			trans	93.7	136.8	177	0	0	0	0	0	114.3
256	G	39.6	Very low	40.1	Very low	89 Å²	89	119.3 Å²	119.3	92%	0.918	83%	0.829	S	S	*	*			cis	111.3	87.4	-4.5	0	0	0	0	0	113.8
257	G	41.6	Very low	40.1	Very low	72 Å²	72	125.8 Å²	125.8	74%	0.742	83%	0.831	S	S	*	*			trans	-164.6	144.3	171.4	0	0	0	0	0	111.1
258	P	44.3	Very low	39.9	Very low	130 Å²	130	119.5 Å²	119.5	84%	0.844	83%	0.826	S	S	*	*			trans	-97.4	157.2	-158.8	-1.1	23	0	0	0	114.3
259	G	36	Very low	39.8	Very low	81 Å²	81	122.3 Å²	122.3	84%	0.835	84%	0.835	S	S	*	*			trans	-79.8	162.3	169	0	0	0	0	0	113.2
260	Y	39.2	Very low	39.7	Very low	234 Å²	234	118.8 Å²	118.8	92%	0.918	83%	0.833	S	S	*	*			trans	-117.1	143.5	172.2	52.1	-91.4	0	0	0	110.9
261	S	37.4	Very low	39.5	Very low	127 Å²	127	115.6 Å²	115.6	89%	0.888	83%	0.834	S	S	*	*			trans	-137.9	149.3	178.9	-179.1	0	0	0	0	110.3
262	G	37.4	Very low	39.5	Very low	80 Å²	80	119.4 Å²	119.4	83%	0.825	83%	0.83	S	S	*	*			trans	87.1	153	172.7	0	0	0	0	0	115.1
263	G	38.1	Very low	39.3	Very low	70 Å²	70	119.1 Å²	119.1	72%	0.722	83%	0.826	S	S	*	*			trans	151.1	29.3	173.5	0	0	0	0	0	118.6	R265	G263-R265 PolarHBondContact O-N 3.24Å
264	S	37.4	Very low	39.2	Very low	131 Å²	131	118.6 Å²	118.6	92%	0.916	82%	0.824	S	S	*	*			trans	-60.5	110.7	174.9	-60.5	0	0	0	0	111.9
265	R	40.5	Very low	39	Very low	216 Å²	216	118.6 Å²	118.6	82%	0.815	82%	0.824	S	S	*	*			trans	-143.4	131.7	163.4	-62.2	-176.9	-176	166.8	1.4	107.5	G263 Y267	G263-R265 PolarHBondContact O-N 3.24Å; R265-Y267 HydrophobicContact CB-CD1 4.27Å; R265-Y267 HydrophobicContact CB-CE1 4.15Å
266	G	36.3	Very low	39	Very low	79 Å²	79	122.3 Å²	122.3	81%	0.814	82%	0.824	S	S	*	*			cis	106.7	62	4	0	0	0	0	0	111.8
267	Y	42.2	Very low	38.9	Very low	211 Å²	211	127 Å²	127	83%	0.827	82%	0.822	S	S	*	*			trans	-154.5	133.6	173.5	34.1	-95.9	0	0	0	109.8	R265	R265-Y267 HydrophobicContact CB-CD1 4.27Å; R265-Y267 HydrophobicContact CB-CE1 4.15Å
268	G	36.8	Very low	38.9	Very low	79 Å²	79	127.4 Å²	127.4	81%	0.814	83%	0.826	S	S	*	*			trans	-155.6	141.6	169.9	0	0	0	0	0	109.4
269	S	40.3	Very low	38.7	Very low	129 Å²	129	127.6 Å²	127.6	90%	0.902	83%	0.831	S	S	*	*			trans	-171.8	142.3	169.2	-171.3	0	0	0	0	111.1
270	G	39.2	Very low	38.8	Very low	74 Å²	74	126.8 Å²	126.8	76%	0.763	82%	0.823	S	S	*	*			trans	83.7	139.6	159.6	0	0	0	0	0	117.7
271	G	40.9	Very low	38.9	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	82%	0.822	S	S	*	*			trans	139.8	87.5	174.2	0	0	0	0	0	113.5
272	Q	40.1	Very low	38.9	Very low	163 Å²	163	124.3 Å²	124.3	76%	0.762	82%	0.818	S	S	*	*			trans	-95.9	145.1	-171.3	-80.2	80.6	-14	0	0	114.7
273	G	36	Very low	39	Very low	67 Å²	67	124.1 Å²	124.1	69%	0.691	82%	0.816	S	S	*	*			trans	79.8	165.5	155.2	0	0	0	0	0	116.5
274	Y	40.6	Very low	39.1	Very low	222 Å²	222	127 Å²	127	87%	0.871	82%	0.824	S	S	*	*			cis	-150.5	148.3	-2.3	-8.8	-99.6	0	0	0	108.1
275	G	36.7	Very low	39.1	Very low	78 Å²	78	124 Å²	124	80%	0.804	82%	0.815	S	S	*	*			trans	-85.4	160.4	-179.3	0	0	0	0	0	114
276	N	39.2	Very low	38.9	Very low	162 Å²	162	119.3 Å²	119.3	87%	0.866	82%	0.815	S	S	*	*			trans	-141.9	151.5	161.1	-159.1	-70.5	0	0	0	109.5
277	Q	37.2	Very low	38.9	Very low	187 Å²	187	125.7 Å²	125.7	87%	0.874	82%	0.816	S	S	*	*			trans	-123.8	127.7	-172.7	-66.9	171.3	-20.5	0	0	109.3
278	G	40.6	Very low	38.8	Very low	80 Å²	80	121.5 Å²	121.5	83%	0.825	81%	0.808	S	S	*	*			trans	-144	101.6	178.9	0	0	0	0	0	111.6
279	S	40.4	Very low	38.6	Very low	134 Å²	134	122.2 Å²	122.2	94%	0.937	80%	0.801	S	S	*	*			trans	-83.2	144.6	-175.8	-56.5	0	0	0	0	112.9
280	G	39.3	Very low	38.7	Very low	65 Å²	65	126.1 Å²	126.1	67%	0.67	80%	0.797	S	S	*	*			trans	-159.8	119.5	174.9	0	0	0	0	0	113.5
281	Y	39.6	Very low	38.5	Very low	232 Å²	232	130 Å²	130	91%	0.91	80%	0.801	S	S	*	*			trans	-44.6	158.5	170.3	52.3	-87.3	0	0	0	115.7
282	G	38.6	Very low	38.4	Very low	77 Å²	77	134.4 Å²	134.4	79%	0.794	81%	0.806	S	S	*	*			cis	160.7	138.3	-9.1	0	0	0	0	0	114.9
283	G	40	Very low	38.2	Very low	76 Å²	76	129.9 Å²	129.9	78%	0.784	80%	0.804	S	S	*	*			trans	78.7	162.8	163	0	0	0	0	0	119
284	S	38.5	Very low	38.2	Very low	129 Å²	129	130.6 Å²	130.6	90%	0.902	81%	0.811	S	S	*	*			cis	-179.9	139.2	-28.7	41.8	0	0	0	0	111.7
285	G	38.7	Very low	38	Very low	70 Å²	70	124.2 Å²	124.2	72%	0.722	81%	0.812	S	S	*	*			trans	116.1	122.3	176.5	0	0	0	0	0	112.4
286	S	36.6	Very low	38	Very low	116 Å²	116	124.6 Å²	124.6	81%	0.811	82%	0.816	S	S	*	*			cis	66.6	129.6	24.2	-143.2	0	0	0	0	112.4
287	Y	36.2	Very low	37.8	Very low	214 Å²	214	119.5 Å²	119.5	84%	0.839	80%	0.802	S	S	*	*			cis	-151.4	-178.6	9.6	44.7	-106.1	0	0	0	109
288	D	40.4	Very low	37.7	Very low	123 Å²	123	121.2 Å²	121.2	66%	0.658	81%	0.807	S	S	*	*			cis	-149.8	-171.8	5.3	-162	2.3	0	0	0	110	Y290	D288-Y290 VanDerWaalsContact OD2-CE2 3.31Å; D288-Y290 WeakPolarHBondContact OD2-CE2 3.22Å
289	S	31.9	Very low	37.4	Very low	94 Å²	94	121.3 Å²	121.3	66%	0.657	81%	0.808	S	S	*	*			trans	-127.3	123.3	179.1	153.7	0	0	0	0	114.1
290	Y	41.8	Very low	37.1	Very low	210 Å²	210	119.2 Å²	119.2	82%	0.824	81%	0.808	S	S	*	*			trans	-135.6	136.6	164.4	-73.1	-79.9	0	0	0	113.6	D288	D288-Y290 VanDerWaalsContact OD2-CE2 3.31Å; D288-Y290 WeakPolarHBondContact OD2-CE2 3.22Å
291	N	34.5	Very low	36.8	Very low	157 Å²	157	119.9 Å²	119.9	84%	0.84	82%	0.815	S	S	*	*			trans	-121.5	118.8	177	167.8	22.1	0	0	0	109.1
292	N	40.2	Very low	36.5	Very low	166 Å²	166	114.9 Å²	114.9	89%	0.888	81%	0.814	S	S	*	*			trans	-152.7	151.9	152.3	-153.8	-12.2	0	0	0	110.1
293	G	36.3	Very low	36.4	Very low	69 Å²	69	114.3 Å²	114.3	71%	0.711	81%	0.807	S	S	*	*			trans	-93.6	164.6	-173	0	0	0	0	0	114.7
294	G	35.5	Very low	36.1	Very low	82 Å²	82	116.3 Å²	116.3	85%	0.845	81%	0.809	S	S	*	*			trans	-171.3	125	170.8	0	0	0	0	0	108.1
295	G	36.5	Very low	35.8	Very low	87 Å²	87	116.8 Å²	116.8	90%	0.897	80%	0.802	S	S	*	*			trans	-99.2	158.1	-171	0	0	0	0	0	114
296	G	35.2	Very low	35.8	Very low	86 Å²	86	123.1 Å²	123.1	89%	0.887	81%	0.81	S	S	*	*			trans	121	127.4	154.1	0	0	0	0	0	116.3
297	G	35	Very low	35.5	Very low	56 Å²	56	121.6 Å²	121.6	58%	0.577	81%	0.812	S	S	*	*			trans	120.6	94.6	143.2	0	0	0	0	0	118
298	F	35.6	Very low	35.4	Very low	222 Å²	222	114.9 Å²	114.9	97%	0.974	81%	0.808	S	S	*	*			trans	26	122.1	136.7	-25.9	-73.7	0	0	0	119.8
299	G	34.5	Very low	35.1	Very low	82 Å²	82	113.3 Å²	113.3	85%	0.845	82%	0.822	S	S	*	*			trans	172.2	114.4	163	0	0	0	0	0	112.5
300	G	33.3	Very low	35.2	Very low	91 Å²	91	111 Å²	111	94%	0.938	81%	0.812	S	S	*	*			trans	-77.3	150.6	180	0	0	0	0	0	113.3
301	G	34.9	Very low	34.8	Very low	78 Å²	78	105.7 Å²	105.7	80%	0.804	81%	0.806	S	S	*	*			trans	-160.6	121.5	172.4	0	0	0	0	0	110.8
302	S	32.5	Very low	35.3	Very low	128 Å²	128	105 Å²	105	90%	0.895	79%	0.793	S	S	*	*			trans	-75.9	137.3	176.9	-168.3	0	0	0	0	110.5
303	G	36.3	Very low	35.2	Very low	64 Å²	64	103.4 Å²	103.4	66%	0.66	78%	0.784	S	S	*	*			trans	-159.2	49.2	-171	0	0	0	0	0	113.2	N305	G303-N305 PolarHBondContact O-N 3.32Å
304	S	33.6	Very low	35.3	Very low	118 Å²	118	106 Å²	106	83%	0.825	78%	0.781	S	S	*	*			trans	-70.6	94.3	-178.9	54.2	0	0	0	0	112.1
305	N	32.4	Very low	35.6	Very low	139 Å²	139	105.6 Å²	105.6	74%	0.743	76%	0.757	S	S	*	*			trans	-138.7	68.4	179.8	-167.3	24.3	0	0	0	112.7	G303	G303-N305 PolarHBondContact O-N 3.32Å
306	F	37.6	Very low	35.5	Very low	204 Å²	204	103 Å²	103	90%	0.895	73%	0.731	S	S	*	*			trans	-135.8	93.2	175.5	-71.7	-72.5	0	0	0	112.2
307	G	31.9	Very low	35.5	Very low	83 Å²	83	106.8 Å²	106.8	86%	0.856	73%	0.73	S	S	*	*			trans	-72.6	129	152.4	0	0	0	0	0	109.1
308	G	34.2	Very low	35.7	Very low	73 Å²	73	107 Å²	107	75%	0.753	71%	0.714	S	S	*	*			trans	-162.1	124.5	-179.7	0	0	0	0	0	111.9	G310	G308-G310 PolarHBondContact O-N 2.87Å; G308-G310 VanDerWaalsContact O-N 3.13Å
309	G	33.8	Very low	35.7	Very low	91 Å²	91	103.6 Å²	103.6	94%	0.938	71%	0.706	S	S	*	*			trans	-74.6	96.3	176.2	0	0	0	0	0	111.2	S311	G309-S311 PolarHBondContact O-N 3.16Å
310	G	33.5	Very low	36	Very low	45 Å²	45	105.8 Å²	105.8	46%	0.464	70%	0.698	S	S	.	*			trans	-74.4	117	176.5	0	0	0	0	0	112.2	G308 Y312	G308-G310 PolarHBondContact O-N 2.87Å; G308-G310 VanDerWaalsContact O-N 3.13Å; G310-Y312 WeakPolarHBondContact O-CD2 3.22Å; G310-Y312 WeakPolarHBondContact O-CE2 3.36Å; G310-Y312 PolarHBondContact O-N 2.89Å
311	S	34.3	Very low	36.4	Very low	99 Å²	99	109.4 Å²	109.4	69%	0.692	69%	0.691	S	S	*	*			trans	-79.8	104.3	170.9	-170.8	0	0	0	0	109.9	G309 N313	G309-S311 PolarHBondContact O-N 3.16Å; S311-N313 PolarHBondContact O-N 3.06Å; S311-N313 PolarHBondContact O-ND2 3.3Å; S311-N313 PolarHBondContact OG-ND2 3.35Å
312	Y	43.3	Very low	36.6	Very low	142 Å²	142	110.6 Å²	110.6	56%	0.557	69%	0.687	S	S	*	*			trans	-75.6	83.6	-171.4	-52.4	-77.7	0	0	0	112.9	G310 F315	G310-Y312 WeakPolarHBondContact O-CD2 3.22Å; G310-Y312 WeakPolarHBondContact O-CE2 3.36Å; G310-Y312 PolarHBondContact O-N 2.89Å; Y312-F315 WeakPolarHBondContact O-CE2 3.19Å
313	N	39	Very low	37	Very low	132 Å²	132	108.9 Å²	108.9	71%	0.706	68%	0.675	S	S	*	*			trans	-103.4	18.6	-179.3	-67.4	-63.1	0	0	0	114.6	S311	S311-N313 PolarHBondContact O-N 3.06Å; S311-N313 PolarHBondContact O-ND2 3.3Å; S311-N313 PolarHBondContact OG-ND2 3.35Å
314	D	37.5	Very low	37.3	Very low	123 Å²	123	113.6 Å²	113.6	66%	0.658	69%	0.685	S	S	*	*			trans	-108.4	70.6	-177.5	-169.5	4	0	0	0	113.2	R55 G316	R55-D314 PolarHBondContact NH2-O 3.02Å; R55-D314 VanDerWaalsContact NH2-O 3.11Å; D314-G316 VanDerWaalsContact C-N 3.29Å; D314-G316 PolarHBondContact O-N 3.03Å
315	F	41.8	Very low	37.5	Very low	74 Å²	74	117.5 Å²	117.5	33%	0.325	69%	0.687	S	S	.	*			trans	-89.3	60.9	172	-71.2	-79.5	0	0	0	111.5	F17 H101 Y312	F17-F315 HydrophobicContact CE2-CE1 4.19Å; F17-F315 HydrophobicContact CE2-CZ 4.39Å; F17-F315 HydrophobicContact CZ-CZ 4.49Å; H101-F315 HydrophobicContact CB-CE2 4.22Å; H101-F315 HydrophobicContact CB-CZ 4.42Å; H101-F315 AromaticContact CD2-CD2 3.86Å; H101-F315 AromaticContact CD2-CE2 3.72Å; H101-F315 AromaticContact CG-CE2 3.94Å; H101-F315 AromaticContact CG-CZ 4Å; Y312-F315 WeakPolarHBondContact O-CE2 3.19Å
316	G	36.2	Very low	37.4	Very low	34 Å²	34	113.8 Å²	113.8	35%	0.351	68%	0.682	S	S	.	*			trans	-52.1	145.6	171.6	0	0	0	0	0	113.9	D314 Y318	D314-G316 VanDerWaalsContact C-N 3.29Å; D314-G316 PolarHBondContact O-N 3.03Å; G316-Y318 PolarHBondContact O-N 3.23Å
317	N	33.5	Very low	37.7	Very low	165 Å²	165	110.2 Å²	110.2	88%	0.882	68%	0.68	S	S	*	*			trans	-56	117.6	-168.9	-171.9	12.3	0	0	0	114.1	N319	N317-N319 PolarHBondContact O-N 3.41Å; N317-N319 VanDerWaalsContact O-N 3.16Å
318	Y	39.9	Very low	38.1	Very low	60 Å²	60	115.2 Å²	115.2	24%	0.235	68%	0.683	C	S	.	*			trans	-78.1	96	-179.2	-78	-98.3	0	0	0	112.6	M46 F57 F59 R92 G316	M46-Y318 HydrophobicContact CE-CD1 4.45Å; M46-Y318 HydrophobicContact CE-CE1 3.85Å; M46-Y318 HydrophobicContact SD-CE1 4.21Å; F57-Y318 WeakPolarHBondContact CE2-OH 3.4Å; F57-Y318 VanDerWaalsContact CZ-OH 3.25Å; F57-Y318 WeakPolarHBondContact CZ-OH 2.98Å; F59-Y318 HydrophobicContact CE2-CE1 4.37Å; R92-Y318 PolarHBondContact NH1-O 2.86Å; G316-Y318 PolarHBondContact O-N 3.23Å
319	N	36.6	Very low	38.2	Very low	150 Å²	150	122.2 Å²	122.2	80%	0.802	69%	0.693	S	S	*	*			trans	-67.8	148.9	158.9	-160	4.7	0	0	0	110.2	N317 Q321	N317-N319 PolarHBondContact O-N 3.41Å; N317-N319 VanDerWaalsContact O-N 3.16Å; N319-Q321 PolarHBondContact O-N 3.36Å
320	N	40.1	Very low	38.4	Very low	129 Å²	129	121.4 Å²	121.4	69%	0.69	69%	0.685	S	S	*	*			trans	-82.1	105.4	-172.1	-169.7	-3.2	0	0	0	111
321	Q	41.5	Very low	38.4	Very low	166 Å²	166	123.2 Å²	123.2	78%	0.776	70%	0.703	S	S	*	*			trans	-84.8	116	162.9	-69.1	-163.4	-101.1	0	0	108.6	N319 S323	N319-Q321 PolarHBondContact O-N 3.36Å; Q321-S323 PolarHBondContact O-N 3.1Å
322	S	38.7	Very low	38.5	Very low	104 Å²	104	125.9 Å²	125.9	73%	0.727	71%	0.709	S	S	*	*			trans	-55.2	132.1	175	50.8	0	0	0	0	111.3	N324	S322-N324 PolarHBondContact O-N 3.43Å
323	S	41.3	Very low	38.3	Very low	91 Å²	91	128.9 Å²	128.9	64%	0.636	73%	0.726	S	S	*	*			trans	-55.8	135.8	171.4	44.1	0	0	0	0	110.5	Q321 F325	Q321-S323 PolarHBondContact O-N 3.1Å; S323-F325 PolarHBondContact O-N 2.77Å
324	N	41.8	Very low	38.3	Very low	164 Å²	164	126.2 Å²	126.2	88%	0.877	73%	0.73	S	S	*	*	S	Bend	trans	-83.3	35.1	-164.1	-152.6	26.9	0	0	0	113.5	S322	S322-N324 PolarHBondContact O-N 3.43Å
325	F	39	Very low	38.3	Very low	199 Å²	199	124.1 Å²	124.1	87%	0.873	74%	0.737	S	S	*	*	S	Bend	trans	-137.2	107.5	-174.4	-107.2	-93.4	0	0	0	111.4	S323	S323-F325 PolarHBondContact O-N 2.77Å
326	G	31.1	Very low	38	Very low	62 Å²	62	132.2 Å²	132.2	64%	0.639	77%	0.765	S	S	*	*			trans	93.2	135.8	-170.9	0	0	0	0	0	111.2
327	P	42.8	Very low	38.1	Very low	129 Å²	129	136.4 Å²	136.4	84%	0.838	79%	0.789	S	S	*	*				-107.7	145	57.9	34.4	-36	0	0	0	115.1
328	M	40.6	Very low	38.5	Very low	188 Å²	188	134.4 Å²	134.4	93%	0.926	79%	0.788	S	S	*	*			trans	-67.8	141.4	163.6	-75.1	-172.9	164.9	0	0	110.3	G330	M328-G330 VanDerWaalsContact C-N 3.26Å; M328-G330 PolarHBondContact O-N 3.19Å
329	K	37	Very low	38.4	Very low	219 Å²	219	135.1 Å²	135.1	95%	0.952	81%	0.814	S	S	*	*			trans	-76.3	65.4	-170.1	-166.3	179.9	-179.8	-179.6	0	112.9
330	G	36.8	Very low	38.9	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	82%	0.815	S	S	*	*			trans	-89	114.9	170.6	0	0	0	0	0	111.2	M328	M328-G330 VanDerWaalsContact C-N 3.26Å; M328-G330 PolarHBondContact O-N 3.19Å
331	G	33	Very low	38.9	Very low	82 Å²	82	139.1 Å²	139.1	85%	0.845	83%	0.826	S	S	*	*			trans	-84.6	145.7	179.6	0	0	0	0	0	113.1
332	N	37.7	Very low	38.9	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	83%	0.825	S	S	*	*			trans	-141	143.5	157.7	-170.9	33.3	0	0	0	110.1
333	F	38.4	Very low	39	Very low	205 Å²	205	133.9 Å²	133.9	90%	0.899	83%	0.833	S	S	*	*			trans	-79.5	139.3	-179	-80.3	-107.1	0	0	0	111.1
334	G	39.2	Very low	39	Very low	77 Å²	77	133.3 Å²	133.3	79%	0.794	84%	0.842	S	S	*	*			trans	-139	51.5	-176.7	0	0	0	0	0	113.1
335	G	36.6	Very low	39.1	Very low	78 Å²	78	128.3 Å²	128.3	80%	0.804	83%	0.829	S	S	*	*			trans	-67.7	143.6	178.6	0	0	0	0	0	112.9
336	R	36.9	Very low	39.3	Very low	244 Å²	244	126.9 Å²	126.9	92%	0.921	83%	0.825	S	S	*	*			trans	-141.6	130.7	171	-77.1	-169.6	171.7	-167.8	-2	112.6
337	S	37.4	Very low	39.9	Very low	123 Å²	123	132.4 Å²	132.4	86%	0.86	83%	0.828	S	S	*	*			trans	72	95.8	148	-161.7	0	0	0	0	120.5
338	S	41.7	Very low	40	Very low	123 Å²	123	135.6 Å²	135.6	86%	0.86	83%	0.829	S	S	*	*			trans	-161.5	147.1	137.4	58.5	0	0	0	0	112
339	G	39.1	Very low	40.2	Very low	74 Å²	74	130.7 Å²	130.7	76%	0.763	82%	0.818	S	S	*	*			trans	81.4	118.1	163.4	0	0	0	0	0	118.9
340	P	47.1	Very low	40.9	Very low	129 Å²	129	130.1 Å²	130.1	84%	0.838	82%	0.815	S	S	*	*			trans	-113.3	143.5	179.8	38.1	-30	0	0	0	116.6
341	Y	39.4	Very low	41.5	Very low	235 Å²	235	132 Å²	132	92%	0.922	81%	0.814	S	S	*	*			trans	-168.3	164.3	158.1	59.1	-88.8	0	0	0	109.8
342	G	40.7	Very low	41.9	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	82%	0.817	S	S	*	*			cis	168.3	102.8	-10.6	0	0	0	0	0	113.2
343	G	41.3	Very low	42.3	Very low	87 Å²	87	139.3 Å²	139.3	90%	0.897	82%	0.816	S	S	*	*			trans	81.2	161.9	-176.9	0	0	0	0	0	114.3
344	G	41.3	Very low	42.5	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	81%	0.814	S	S	*	*			cis	175.9	150.5	-6.7	0	0	0	0	0	111.9
345	G	43.7	Very low	42.6	Very low	59 Å²	59	138.1 Å²	138.1	61%	0.608	81%	0.813	S	S	*	*			trans	86.4	139.3	-172.3	0	0	0	0	0	112.8
346	Q	44.2	Very low	42.9	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	81%	0.807	S	S	*	*			cis	67.2	140.8	28.7	-43.6	-173.3	19.8	0	0	112.5
347	Y	44.1	Very low	43.2	Very low	178 Å²	178	136.9 Å²	136.9	70%	0.698	81%	0.806	S	S	*	*			cis	-151.7	174.2	28.2	-36.2	-99	0	0	0	112.1
348	F	43.4	Very low	43.5	Very low	196 Å²	196	135 Å²	135	86%	0.86	81%	0.807	S	S	*	*			trans	22.9	145.6	164.2	-54.1	-76.7	0	0	0	122.8
349	A	45.8	Very low	43.6	Very low	85 Å²	85	132.2 Å²	132.2	70%	0.702	80%	0.797	S	S	*	*			cis	129.2	136.4	-7.5	0	0	0	0	0	114.2
350	K	51.1	Low	44	Very low	207 Å²	207	134.4 Å²	134.4	90%	0.9	80%	0.8	S	S	*	*			trans	84.4	155.2	164	-73.6	-171.2	174.6	-179.9	0	120.3
351	P	50.1	Low	43.9	Very low	115 Å²	115	133.4 Å²	133.4	75%	0.747	80%	0.797	S	S	*	*			trans	-141.8	-172.3	-141.5	45.5	-26.9	0	0	0	117.8
352	R	41.1	Very low	44.3	Very low	239 Å²	239	127.4 Å²	127.4	90%	0.902	79%	0.789	S	S	*	*			trans	70.5	107.8	145.9	-169.3	-168.4	-162.7	-173.4	6.5	118.8
353	N	46	Very low	44.8	Very low	152 Å²	152	129.3 Å²	129.3	81%	0.813	79%	0.791	S	S	*	*			trans	-149.6	175.5	141.7	-149.3	-3.1	0	0	0	113
354	Q	42.8	Very low	45.2	Very low	182 Å²	182	130.6 Å²	130.6	85%	0.85	79%	0.786	S	S	*	*			trans	-103.5	168.5	-170.1	-50.1	166.6	8.2	0	0	112.4
355	G	41.6	Very low	45.7	Very low	75 Å²	75	131.2 Å²	131.2	77%	0.773	78%	0.778	S	S	*	*			trans	148.2	103.9	148.4	0	0	0	0	0	119
356	G	41.8	Very low	46	Very low	67 Å²	67	138.9 Å²	138.9	69%	0.691	79%	0.79	S	S	*	*			trans	72.1	-179.2	146.6	0	0	0	0	0	120.1
357	Y	44.2	Very low	46.4	Very low	229 Å²	229	134.3 Å²	134.3	90%	0.898	79%	0.788	S	S	*	*			cis	-171.5	154.9	-47.9	35.9	-130.4	0	0	0	109.8
358	G	43.4	Very low	46.7	Very low	84 Å²	84	132.2 Å²	132.2	87%	0.866	80%	0.8	S	S	*	*			trans	78.9	154.5	176.5	0	0	0	0	0	115.4
359	G	43.5	Very low	47.4	Very low	64 Å²	64	126.3 Å²	126.3	66%	0.66	79%	0.794	S	S	*	*			cis	165.3	156.5	-8.9	0	0	0	0	0	113
360	S	47.9	Very low	47.8	Very low	119 Å²	119	134.2 Å²	134.2	83%	0.832	81%	0.805	S	S	*	*			trans	59.2	155.1	168.5	47.5	0	0	0	0	119.1
361	S	43.9	Very low	48.3	Very low	109 Å²	109	134.8 Å²	134.8	76%	0.762	80%	0.802	S	S	*	*			cis	156.8	117.2	-40.5	54.1	0	0	0	0	108.6
362	S	48.3	Very low	49.2	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	82%	0.823	S	S	*	*			trans	-162.4	116.8	172.6	54	0	0	0	0	113.4
363	S	51.2	Low	49.6	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	82%	0.819	S	S	*	*			trans	30.2	137.2	131.9	59.8	0	0	0	0	119.7
364	S	48.9	Very low	49.8	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	82%	0.819	S	S	*	*			cis	-159.5	-162.6	24.4	55.4	0	0	0	0	109.1
365	S	52.7	Low	50.1	Low	92 Å²	92	134 Å²	134	64%	0.643	82%	0.817	S	S	*	*			cis	-154.8	167.4	11	173.6	0	0	0	0	111.8
366	Y	50.9	Low	50.6	Low	219 Å²	219	137.5 Å²	137.5	86%	0.859	82%	0.82	S	S	*	*			trans	-57.1	161.9	162	-24.6	-77	0	0	0	112.9
367	G	51.3	Low	51.2	Low	72 Å²	72	141.9 Å²	141.9	74%	0.742	83%	0.828	S	S	*	*			cis	166.6	-168.7	3.2	0	0	0	0	0	112.5
368	S	51.7	Low	51.7	Low	135 Å²	135	136.1 Å²	136.1	94%	0.944	82%	0.823	S	S	*	*			trans	-3	140.6	164.5	-178.5	0	0	0	0	119.7
369	G	57.4	Low	52.2	Low	71 Å²	71	139.8 Å²	139.8	73%	0.732	82%	0.82	S	S	*	*			cis	165.2	-170.3	11.6	0	0	0	0	0	112.4
370	R	54.9	Low	52.9	Low	251 Å²	251	145.6 Å²	145.6	95%	0.947	83%	0.832	S	S	*	*			trans	-76.1	153.4	-174.9	-51.6	176.3	-169.2	163.6	2.5	113.5
371	R	61.4	Low	53.3	Low	219 Å²	219	147.8 Å²	147.8	83%	0.826	83%	0.833	S	S	*	*			trans	-162.9	129.8	143.2	-115.4	173.3	-173.2	-176.3	1.8	113.3
372	F	67.4	Low	54.2	Low	270 Å²	270	151.4 Å²	151.4	100%	1.184	84%	0.839	S	S	*	*			trans	61.5	0	170.8	-56.4	-66.6	0	0	0	117

Retrieved 372 of 372 residues in 96.9 ms (Link to these results)

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