A0A087YJ75_POEFO Loading...

Cytidine deaminase

This enzyme scavenges exogenous and endogenous cytidine and 2'-deoxycytidine for UMP synthesis.

AlphaFold DB , UniProt , Accession A0A087YJ75, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 170 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	R	40.4	Very low	39.7	Very low	314 Å²	314	166.8 Å²	166.8	100%	1.185	84%	0.836	S	S	*	*				0	94.8	0	-81.1	-179.9	174.3	-175.8	-1.2	107.6
2	A	34.2	Very low	40.3	Very low	104 Å²	104	159 Å²	159	86%	0.86	81%	0.806	S	S	*	*			trans	-122	113.9	176.3	0	0	0	0	0	107.5
3	T	37.9	Very low	41.7	Very low	142 Å²	142	153.5 Å²	153.5	87%	0.871	79%	0.786	S	S	*	*			trans	-85.4	114.6	178.5	41	0	0	0	0	109.4	F5	T3-F5 PolarHBondContact O-N 3.36Å
4	S	40.4	Very low	42.7	Very low	117 Å²	117	152.8 Å²	152.8	82%	0.818	78%	0.777	S	S	*	*			trans	-71.1	113.1	171.5	58.4	0	0	0	0	110.4	S6	S4-S6 PolarHBondContact O-N 3.39Å
5	F	38.5	Very low	42.9	Very low	184 Å²	184	152.1 Å²	152.1	81%	0.807	77%	0.77	S	S	*	*			trans	-89.2	92.7	170.7	-142.9	-96.3	0	0	0	108.9	T3 L7	T3-F5 PolarHBondContact O-N 3.36Å; F5-L7 HydrophobicContact CD1-CD1 4.4Å; F5-L7 HydrophobicContact CD1-CG 4.48Å; F5-L7 PolarHBondContact O-N 3.12Å; F5-L7 VanDerWaalsContact O-N 3.12Å
6	S	39.1	Very low	43.3	Very low	93 Å²	93	147.8 Å²	147.8	65%	0.65	75%	0.75	S	S	*	*			trans	-71.9	97.4	169.4	170.7	0	0	0	0	108.5	S4 R8	S4-S6 PolarHBondContact O-N 3.39Å; S6-R8 VanDerWaalsContact C-N 3.35Å; S6-R8 PolarHBondContact O-N 3.01Å
7	L	37	Very low	43.5	Very low	139 Å²	139	145.9 Å²	145.9	73%	0.728	74%	0.735	S	S	*	*			trans	-67.4	96.8	164.1	-95.9	126.3	0	0	0	108	F5 Y9	F5-L7 HydrophobicContact CD1-CD1 4.4Å; F5-L7 HydrophobicContact CD1-CG 4.48Å; F5-L7 PolarHBondContact O-N 3.12Å; F5-L7 VanDerWaalsContact O-N 3.12Å; L7-Y9 PolarHBondContact O-N 3.03Å
8	R	40.5	Very low	43.2	Very low	218 Å²	218	144.3 Å²	144.3	82%	0.823	73%	0.725	S	S	*	*			trans	-64.4	104.9	169.4	-66.7	-174.7	-169.3	-155.3	2.9	108.1	S6 S10	S6-R8 VanDerWaalsContact C-N 3.35Å; S6-R8 PolarHBondContact O-N 3.01Å; R8-S10 PolarHBondContact O-N 3.04Å
9	Y	36.8	Very low	43.2	Very low	223 Å²	223	145.9 Å²	145.9	88%	0.875	72%	0.721	S	S	*	*			trans	-67	98	163.8	-107.5	-93.2	0	0	0	108.5	L7	L7-Y9 PolarHBondContact O-N 3.03Å
10	S	49.7	Very low	43.4	Very low	104 Å²	104	148.2 Å²	148.2	73%	0.727	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-74.4	123.8	171.7	-62.7	0	0	0	0	109.2	R8	R8-S10 PolarHBondContact O-N 3.04Å
11	K	42.6	Very low	43.3	Very low	197 Å²	197	146.9 Å²	146.9	86%	0.857	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-59.6	133.5	172.8	-71.2	-175.4	178.5	179.8	0	109.1	T13	K11-T13 PolarHBondContact O-N 3.45Å
12	P	46.8	Very low	43.6	Very low	73 Å²	73	138 Å²	138	47%	0.474	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-64.7	135.6	-178.7	23.2	-30.7	0	0	0	111	N16	P12-N16 HydrophobicContact CB-CB 4.41Å
13	T	58.4	Low	44.6	Very low	88 Å²	88	139.3 Å²	139.3	54%	0.54	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-64.3	155.5	177.6	47.2	0	0	0	0	111.9	K11 Q15 N16 K17	K11-T13 PolarHBondContact O-N 3.45Å; T13-Q15 PolarHBondContact O-N 3.05Å; T13-N16 WeakPolarHBondContact O-CB 3.47Å; T13-N16 PolarHBondContact O-N 2.99Å; T13-K17 PolarHBondContact O-N 2.89Å
14	Q	56	Low	45.9	Very low	143 Å²	143	137.9 Å²	137.9	67%	0.668	66%	0.658	S	S	*	*	H	α-helix	trans	-51.2	-41.8	177.6	-160.1	98.7	-9.1	0	0	112	N16 K17 E18	Q14-N16 VanDerWaalsContact C-N 3.35Å; Q14-N16 PolarHBondContact O-N 3.22Å; Q14-K17 WeakPolarHBondContact O-CA 3.48Å; Q14-K17 WeakPolarHBondContact O-CB 3.44Å; Q14-K17 PolarHBondContact O-N 3.03Å; Q14-E18 PolarHBondContact O-N 3.06Å
15	Q	45	Very low	47.8	Very low	142 Å²	142	138.5 Å²	138.5	66%	0.664	65%	0.648	S	S	*	*	H	α-helix	trans	-67.4	-30.6	178.8	-150.8	169.8	21.1	0	0	113.5	T13 R19	T13-Q15 PolarHBondContact O-N 3.05Å; Q15-R19 WeakPolarHBondContact O-CB 3.46Å; Q15-R19 WeakPolarHBondContact O-CG 3.36Å; Q15-R19 PolarHBondContact O-N 3.41Å
16	N	50.3	Low	50.4	Low	84 Å²	84	130.5 Å²	130.5	45%	0.449	61%	0.614	S	S	.	*	H	α-helix	trans	-76.7	-26.4	171.3	-97.4	-13.8	0	0	0	112.3	P12 T13 Q14 R20	P12-N16 HydrophobicContact CB-CB 4.41Å; T13-N16 WeakPolarHBondContact O-CB 3.47Å; T13-N16 PolarHBondContact O-N 2.99Å; Q14-N16 VanDerWaalsContact C-N 3.35Å; Q14-N16 PolarHBondContact O-N 3.22Å; N16-R20 VanDerWaalsContact O-CB 3.29Å; N16-R20 WeakPolarHBondContact O-CB 3.25Å; N16-R20 VanDerWaalsContact O-CG 3.25Å; N16-R20 WeakPolarHBondContact O-CG 3.29Å; N16-R20 PolarHBondContact O-N 3.36Å
17	K	46.6	Very low	53.1	Low	115 Å²	115	128.1 Å²	128.1	50%	0.5	60%	0.597	S	S	.	*	H	α-helix	trans	-72.7	-42.6	170.7	-70.1	-179.3	176.5	-179	0	111	T13 Q14 R20 M21	T13-K17 PolarHBondContact O-N 2.89Å; Q14-K17 WeakPolarHBondContact O-CA 3.48Å; Q14-K17 WeakPolarHBondContact O-CB 3.44Å; Q14-K17 PolarHBondContact O-N 3.03Å; K17-R20 PolarHBondContact O-N 3.33Å; K17-M21 WeakPolarHBondContact O-CG 3.33Å; K17-M21 PolarHBondContact O-N 2.94Å
18	E	37	Very low	55.9	Low	118 Å²	118	125.5 Å²	125.5	55%	0.551	59%	0.588	S	S	*	*	H	α-helix	trans	-65	-46.6	177.1	-73.8	163.9	-178.2	0	0	111.7	Q14 R20 M21 D22	Q14-E18 PolarHBondContact O-N 3.06Å; E18-R20 VanDerWaalsContact C-N 3.33Å; E18-R20 PolarHBondContact O-N 3.07Å; E18-M21 PolarHBondContact O-N 3Å; E18-D22 PolarHBondContact O-N 3.18Å
19	R	43.8	Very low	58.6	Low	175 Å²	175	121.3 Å²	121.3	66%	0.66	58%	0.578	S	S	*	*	H	α-helix	trans	-61.5	-34.5	172.7	-79.6	-177.8	169.5	-170.4	-3.1	114	Q15 M21	Q15-R19 WeakPolarHBondContact O-CB 3.46Å; Q15-R19 WeakPolarHBondContact O-CG 3.36Å; Q15-R19 PolarHBondContact O-N 3.41Å; R19-M21 VanDerWaalsContact C-N 3.34Å
20	R	47.1	Very low	61.5	Low	191 Å²	191	114.2 Å²	114.2	72%	0.721	55%	0.553	S	S	*	*	H	α-helix	trans	-72.5	-26.9	173.5	-82.8	-179.2	169.5	-153.8	-3.1	112.9	N16 K17 E18	N16-R20 VanDerWaalsContact O-CB 3.29Å; N16-R20 WeakPolarHBondContact O-CB 3.25Å; N16-R20 VanDerWaalsContact O-CG 3.25Å; N16-R20 WeakPolarHBondContact O-CG 3.29Å; N16-R20 PolarHBondContact O-N 3.36Å; K17-R20 PolarHBondContact O-N 3.33Å; E18-R20 VanDerWaalsContact C-N 3.33Å; E18-R20 PolarHBondContact O-N 3.07Å
21	M	41.7	Very low	63.8	Low	120 Å²	120	109.5 Å²	109.5	59%	0.591	52%	0.52	S	S	*	.	H	α-helix	trans	-79	-29.5	175.6	-75.3	-155.4	173.8	0	0	112.6	K17 E18 R19	K17-M21 WeakPolarHBondContact O-CG 3.33Å; K17-M21 PolarHBondContact O-N 2.94Å; E18-M21 PolarHBondContact O-N 3Å; R19-M21 VanDerWaalsContact C-N 3.34Å
22	D	47.5	Very low	66.5	Low	127 Å²	127	104 Å²	104	68%	0.679	50%	0.5	S	S	*	.	H	α-helix	trans	-67.5	-36	178.8	-163.5	22.7	0	0	0	112.9	E18 R24	E18-D22 PolarHBondContact O-N 3.18Å; D22-R24 PolarHBondContact O-N 3.02Å
23	Q	54.8	Low	69	Low	133 Å²	133	104.5 Å²	104.5	62%	0.621	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	18	-178.9	-68.4	-176	-26.9	0	0	116	R61	Q23-R61 PolarHBondContact O-NH1 3.4Å
24	R	65.1	Low	70.9	Confident	111 Å²	111	100.5 Å²	100.5	42%	0.419	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-17.9	178.8	-77	-173.6	-70.1	166.2	-2.2	114	D22	D22-R24 PolarHBondContact O-N 3.02Å
25	H	80.4	Confident	72.9	Confident	130 Å²	130	93.7 Å²	93.7	60%	0.602	44%	0.439	S	S	*	.	S	Bend	trans	-107.6	126.3	-176.4	-72.7	85.8	0	0	0	109.9
26	L	92.5	Very high	75.5	Confident	17 Å²	17	88.9 Å²	88.9	9%	0.089	42%	0.418	C	S	.	.			trans	-69.5	142.9	171.4	-83	65.1	0	0	0	109.3	E30 V31 L34 K59 I99 A100 Y132	L26-E30 WeakPolarHBondContact CA-OE2 3.5Å; L26-E30 HydrophobicContact CB-CB 3.98Å; L26-E30 HydrophobicContact CD2-CB 4.23Å; L26-E30 HydrophobicContact CG-CB 4.08Å; L26-V31 HydrophobicContact CB-CG2 3.62Å; L26-V31 HydrophobicContact CD2-CG2 4.23Å; L26-L34 HydrophobicContact CD2-CD2 4.01Å; L26-K59 HydrophobicContact CD1-CD 4.36Å; L26-K59 HydrophobicContact CD2-CD 3.92Å; L26-K59 HydrophobicContact CG-CD 4.08Å; L26-I99 HydrophobicContact CD1-CD1 3.75Å; L26-I99 HydrophobicContact CD1-CG1 3.99Å; L26-A100 HydrophobicContact CD1-CB 3.79Å; L26-A100 HydrophobicContact CD2-CB 3.76Å; L26-A100 HydrophobicContact CG-CB 4.46Å; L26-Y132 HydrophobicContact CD2-CE2 4.44Å
27	S	95.7	Very high	77.8	Confident	42 Å²	42	87 Å²	87	29%	0.294	41%	0.406	S	S	.	.			trans	-65.4	157.6	167.1	93.6	0	0	0	0	110.4	E29 E30 V31	S27-E29 WeakPolarHBondContact CB-OE2 3.4Å; S27-E29 PolarHBondContact O-N 3.36Å; S27-E29 VanDerWaalsContact O-N 3.17Å; S27-E29 PolarHBondContact OG-N 3.29Å; S27-E29 PolarHBondContact OG-OE2 3.08Å; S27-E30 PolarHBondContact N-OE2 3.43Å; S27-E30 PolarHBondContact O-N 3.31Å; S27-E30 PolarHBondContact OG-N 3.2Å; S27-V31 WeakPolarHBondContact O-CG2 3.24Å; S27-V31 PolarHBondContact O-N 3.37Å
28	P	96.3	Very high	80.3	Confident	85 Å²	85	81.5 Å²	81.5	55%	0.552	38%	0.383	S	S	*	.	H	α-helix	trans	-53.1	-36.3	175	-27.3	36.2	0	0	0	113.4	V31 N32	P28-V31 PolarHBondContact O-N 3.03Å; P28-N32 WeakPolarHBondContact O-CB 3.27Å; P28-N32 VanDerWaalsContact O-CG 3.24Å; P28-N32 PolarHBondContact O-N 3.31Å; P28-N32 PolarHBondContact O-ND2 2.96Å
29	E	97.2	Very high	83.2	Confident	130 Å²	130	77.1 Å²	77.1	61%	0.607	36%	0.362	S	S	*	.	H	α-helix	trans	-66.9	-43	176.6	-59	70.6	-150.7	0	0	111.6	S27 V31 N32 E33	S27-E29 WeakPolarHBondContact CB-OE2 3.4Å; S27-E29 PolarHBondContact O-N 3.36Å; S27-E29 VanDerWaalsContact O-N 3.17Å; S27-E29 PolarHBondContact OG-N 3.29Å; S27-E29 PolarHBondContact OG-OE2 3.08Å; E29-V31 VanDerWaalsContact C-N 3.34Å; E29-N32 PolarHBondContact O-N 2.77Å; E29-E33 WeakPolarHBondContact O-CB 3.23Å; E29-E33 PolarHBondContact O-N 3.32Å
30	E	97.8	Very high	85.9	Confident	73 Å²	73	74.7 Å²	74.7	34%	0.341	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-37.8	176.3	-67.8	-175.5	112.7	0	0	112.1	L26 S27 E33 L34 K59	L26-E30 WeakPolarHBondContact CA-OE2 3.5Å; L26-E30 HydrophobicContact CB-CB 3.98Å; L26-E30 HydrophobicContact CD2-CB 4.23Å; L26-E30 HydrophobicContact CG-CB 4.08Å; S27-E30 PolarHBondContact N-OE2 3.43Å; S27-E30 PolarHBondContact O-N 3.31Å; S27-E30 PolarHBondContact OG-N 3.2Å; E30-E33 PolarHBondContact O-N 3.32Å; E30-L34 WeakPolarHBondContact O-CB 3.41Å; E30-L34 PolarHBondContact O-N 2.66Å; E30-K59 VanDerWaalsContact OE1-CE 3.24Å; E30-K59 WeakPolarHBondContact OE1-CE 3.45Å; E30-K59 IonicContact OE1-NZ 3.52Å; E30-K59 PolarHBondContact OE1-NZ 3.37Å
31	V	98.5	Very high	88.3	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.03	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-49.5	174	175.8	0	0	0	0	110.4	L26 S27 P28 E29 E33 L34 I35 Y132 Y140	L26-V31 HydrophobicContact CB-CG2 3.62Å; L26-V31 HydrophobicContact CD2-CG2 4.23Å; S27-V31 WeakPolarHBondContact O-CG2 3.24Å; S27-V31 PolarHBondContact O-N 3.37Å; P28-V31 PolarHBondContact O-N 3.03Å; E29-V31 VanDerWaalsContact C-N 3.34Å; V31-E33 VanDerWaalsContact C-N 3.3Å; V31-E33 PolarHBondContact O-N 3.13Å; V31-L34 PolarHBondContact O-N 2.99Å; V31-I35 HydrophobicContact CG1-CD1 3.82Å; V31-I35 HydrophobicContact CG1-CG1 4.46Å; V31-I35 WeakPolarHBondContact O-CG1 3.43Å; V31-I35 PolarHBondContact O-N 3.37Å; V31-Y132 HydrophobicContact CB-CE1 4.34Å; V31-Y132 HydrophobicContact CG1-CD1 3.77Å; V31-Y132 HydrophobicContact CG1-CE1 3.48Å; V31-Y132 VanDerWaalsContact CG1-CE1 3.48Å; V31-Y132 HydrophobicContact CG1-CG 4.45Å; V31-Y132 HydrophobicContact CG2-CE1 3.86Å; V31-Y132 HydrophobicContact CG2-CE2 4.46Å; V31-Y132 VanDerWaalsContact CG2-OH 3.26Å; V31-Y132 WeakPolarHBondContact CG2-OH 3.26Å; V31-Y140 HydrophobicContact CG1-CE1 3.98Å; V31-Y140 HydrophobicContact CG1-CE2 4.22Å
32	N	98.4	Very high	91	Very high	82 Å²	82	61 Å²	61	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-41.1	178.8	-75.1	-28.9	0	0	0	111.8	P28 E29 I35 N36	P28-N32 WeakPolarHBondContact O-CB 3.27Å; P28-N32 VanDerWaalsContact O-CG 3.24Å; P28-N32 PolarHBondContact O-N 3.31Å; P28-N32 PolarHBondContact O-ND2 2.96Å; E29-N32 PolarHBondContact O-N 2.77Å; N32-I35 PolarHBondContact O-N 2.89Å; N32-N36 WeakPolarHBondContact O-CB 3.48Å; N32-N36 PolarHBondContact O-N 2.82Å; N32-N36 PolarHBondContact O-ND2 3.46Å; N32-N36 VanDerWaalsContact O-ND2 3.12Å
33	E	98.6	Very high	93.4	Very high	84 Å²	84	61.5 Å²	61.5	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-42.4	176.7	-176	54.8	-154.5	0	0	111.8	E29 E30 V31 I35 N36 Q37	E29-E33 WeakPolarHBondContact O-CB 3.23Å; E29-E33 PolarHBondContact O-N 3.32Å; E30-E33 PolarHBondContact O-N 3.32Å; V31-E33 VanDerWaalsContact C-N 3.3Å; V31-E33 PolarHBondContact O-N 3.13Å; E33-I35 VanDerWaalsContact C-N 3.32Å; E33-I35 PolarHBondContact O-N 3.22Å; E33-N36 PolarHBondContact O-N 3.27Å; E33-Q37 WeakPolarHBondContact O-CB 3.39Å; E33-Q37 VanDerWaalsContact O-CG 3.27Å; E33-Q37 WeakPolarHBondContact O-CG 3.24Å; E33-Q37 PolarHBondContact O-N 3.16Å; E33-Q37 WeakPolarHBondContact OE1-CG 3.38Å; E33-Q37 PolarHBondContact OE1-NE2 3.49Å
34	L	98.8	Very high	95.5	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-41.7	176.8	-166.7	65.9	0	0	0	111.7	L26 E30 V31 Q37 S38 A57 K59 V65 A100 A102 Y132	L26-L34 HydrophobicContact CD2-CD2 4.01Å; E30-L34 WeakPolarHBondContact O-CB 3.41Å; E30-L34 PolarHBondContact O-N 2.66Å; V31-L34 PolarHBondContact O-N 2.99Å; L34-Q37 PolarHBondContact O-N 3.27Å; L34-S38 PolarHBondContact O-N 2.68Å; L34-A57 HydrophobicContact CD1-CB 3.76Å; L34-A57 WeakPolarHBondContact CD1-O 3.24Å; L34-A57 HydrophobicContact CG-CB 4.33Å; L34-K59 HydrophobicContact CD1-CB 4.07Å; L34-K59 HydrophobicContact CD2-CB 4.38Å; L34-V65 HydrophobicContact CD1-CG1 3.66Å; L34-V65 HydrophobicContact CD1-CG2 4.38Å; L34-A100 HydrophobicContact CD2-CB 3.66Å; L34-A102 HydrophobicContact CB-CB 4.45Å; L34-A102 HydrophobicContact CD2-CB 4.19Å; L34-A102 HydrophobicContact CG-CB 3.86Å; L34-Y132 HydrophobicContact CD2-CD2 4.36Å
35	I	98.8	Very high	97.1	Very high	1 Å²	1	58 Å²	58	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-45.8	174.4	-68.5	172.5	0	0	0	110.7	V31 N32 E33 Q37 S38 H39 A102 T134 K138 Y140	V31-I35 HydrophobicContact CG1-CD1 3.82Å; V31-I35 HydrophobicContact CG1-CG1 4.46Å; V31-I35 WeakPolarHBondContact O-CG1 3.43Å; V31-I35 PolarHBondContact O-N 3.37Å; N32-I35 PolarHBondContact O-N 2.89Å; E33-I35 VanDerWaalsContact C-N 3.32Å; E33-I35 PolarHBondContact O-N 3.22Å; I35-Q37 PolarHBondContact O-N 3.01Å; I35-S38 PolarHBondContact O-N 3.11Å; I35-S38 PolarHBondContact O-OG 3.03Å; I35-H39 PolarHBondContact O-CD2 2.99Å; I35-H39 PolarHBondContact O-N 3.2Å; I35-A102 HydrophobicContact CG1-CB 4.03Å; I35-T134 HydrophobicContact CB-CG2 4.45Å; I35-T134 HydrophobicContact CD1-CG2 4.12Å; I35-T134 HydrophobicContact CG1-CG2 3.85Å; I35-T134 HydrophobicContact CG2-CG2 3.96Å; I35-K138 HydrophobicContact CG2-CB 3.95Å; I35-K138 HydrophobicContact CG2-CG 4.24Å; I35-Y140 HydrophobicContact CD1-CD1 3.28Å; I35-Y140 HydrophobicContact CD1-CE1 3.79Å; I35-Y140 HydrophobicContact CD1-CG 3.73Å
36	N	98.8	Very high	98	Very high	41 Å²	41	57.6 Å²	57.6	22%	0.219	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-39.2	176.5	-74.5	-34.9	0	0	0	111.8	N32 E33 H39 K40 K138	N32-N36 WeakPolarHBondContact O-CB 3.48Å; N32-N36 PolarHBondContact O-N 2.82Å; N32-N36 PolarHBondContact O-ND2 3.46Å; N32-N36 VanDerWaalsContact O-ND2 3.12Å; E33-N36 PolarHBondContact O-N 3.27Å; N36-H39 PolarHBondContact O-N 2.8Å; N36-K40 WeakPolarHBondContact O-CG 3.43Å; N36-K40 PolarHBondContact O-N 3.31Å; N36-K138 WeakPolarHBondContact OD1-CD 3.28Å; N36-K138 WeakPolarHBondContact OD1-CE 3.3Å; N36-K138 PolarHBondContact OD1-NZ 2.81Å
37	Q	98.9	Very high	98.3	Very high	44 Å²	44	57.3 Å²	57.3	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-69.3	-37.3	178.3	-71.3	178.7	11	0	0	112.7	E33 L34 I35 K40 A41 A57 T67	E33-Q37 WeakPolarHBondContact O-CB 3.39Å; E33-Q37 VanDerWaalsContact O-CG 3.27Å; E33-Q37 WeakPolarHBondContact O-CG 3.24Å; E33-Q37 PolarHBondContact O-N 3.16Å; E33-Q37 WeakPolarHBondContact OE1-CG 3.38Å; E33-Q37 PolarHBondContact OE1-NE2 3.49Å; L34-Q37 PolarHBondContact O-N 3.27Å; I35-Q37 PolarHBondContact O-N 3.01Å; Q37-K40 PolarHBondContact O-N 2.93Å; Q37-A41 WeakPolarHBondContact O-CB 3.43Å; Q37-A41 PolarHBondContact O-N 3.38Å; Q37-A57 HydrophobicContact CB-CB 3.87Å; Q37-T67 HydrophobicContact CB-CG2 3.98Å
38	S	98.9	Very high	98.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-39.4	174.3	71.8	0	0	0	0	111.6	L34 I35 A41 K42 G55 A102 A104	L34-S38 PolarHBondContact O-N 2.68Å; I35-S38 PolarHBondContact O-N 3.11Å; I35-S38 PolarHBondContact O-OG 3.03Å; S38-A41 PolarHBondContact O-N 2.98Å; S38-K42 PolarHBondContact O-N 2.81Å; S38-G55 CarbonylContact O-C 3.56Å; S38-G55 WeakPolarHBondContact O-CA 3.44Å; S38-A102 VanDerWaalsContact CB-O 3.29Å; S38-A102 WeakPolarHBondContact CB-O 3.34Å; S38-A104 WeakPolarHBondContact OG-CB 3.45Å
39	H	98.8	Very high	98.5	Very high	25 Å²	25	57.9 Å²	57.9	12%	0.116	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-43.9	174.5	-81.5	-112.3	0	0	0	112.4	I35 N36 K42 A104 T134 K135	I35-H39 PolarHBondContact O-CD2 2.99Å; I35-H39 PolarHBondContact O-N 3.2Å; N36-H39 PolarHBondContact O-N 2.8Å; H39-K42 VanDerWaalsContact O-CB 3.29Å; H39-K42 WeakPolarHBondContact O-CB 3.37Å; H39-K42 PolarHBondContact O-N 3.03Å; H39-A104 HydrophobicContact CB-CB 4.44Å; H39-A104 WeakPolarHBondContact CD2-CB 3.36Å; H39-T134 PolarHBondContact NE2-OG1 2.61Å; H39-T134 VanDerWaalsContact NE2-OG1 3.12Å; H39-K135 PolarHBondContact CE1-O 3.05Å; H39-K135 PolarHBondContact NE2-O 3.25Å
40	K	98.8	Very high	98.6	Very high	125 Å²	125	54.6 Å²	54.6	54%	0.543	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175	-72.9	173.1	-177.9	173.9	0	111.6	N36 Q37 K42 E43	N36-K40 WeakPolarHBondContact O-CG 3.43Å; N36-K40 PolarHBondContact O-N 3.31Å; Q37-K40 PolarHBondContact O-N 2.93Å; K40-K42 PolarHBondContact O-N 2.84Å; K40-E43 VanDerWaalsContact O-CB 3.32Å; K40-E43 WeakPolarHBondContact O-CB 3.25Å; K40-E43 WeakPolarHBondContact O-CG 3.18Å; K40-E43 PolarHBondContact O-N 3.1Å; K40-E43 VanDerWaalsContact O-N 3.08Å
41	A	98.8	Very high	98.6	Very high	5 Å²	5	58.2 Å²	58.2	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-35.7	-179.7	0	0	0	0	0	112.5	Q37 S38 E43 H44 T67 G68 C69	Q37-A41 WeakPolarHBondContact O-CB 3.43Å; Q37-A41 PolarHBondContact O-N 3.38Å; S38-A41 PolarHBondContact O-N 2.98Å; A41-E43 PolarHBondContact O-N 2.96Å; A41-H44 PolarHBondContact O-N 3.17Å; A41-H44 VanDerWaalsContact O-N 3.08Å; A41-T67 HydrophobicContact CB-CG2 4.38Å; A41-G68 VanDerWaalsContact CB-O 3.31Å; A41-G68 WeakPolarHBondContact CB-O 3.43Å; A41-C69 WeakPolarHBondContact O-CB 3.49Å
42	K	98.1	Very high	98.6	Very high	17 Å²	17	61.5 Å²	61.5	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-56.3	-29.5	177.3	-174.2	178.6	57.9	168.5	0	113.2	S38 H39 K40 H44 S45 R53 S105 D106	S38-K42 PolarHBondContact O-N 2.81Å; H39-K42 VanDerWaalsContact O-CB 3.29Å; H39-K42 WeakPolarHBondContact O-CB 3.37Å; H39-K42 PolarHBondContact O-N 3.03Å; K40-K42 PolarHBondContact O-N 2.84Å; K42-H44 PolarHBondContact O-N 3.26Å; K42-S45 WeakPolarHBondContact O-CB 3.34Å; K42-S45 PolarHBondContact O-N 2.7Å; K42-R53 HydrophobicContact CD-CB 3.98Å; K42-R53 WeakPolarHBondContact CD-O 3.26Å; K42-R53 HydrophobicContact CG-CB 3.43Å; K42-R53 VanDerWaalsContact CG-CB 3.43Å; K42-S105 PolarHBondContact NZ-O 3.42Å; K42-D106 VanDerWaalsContact CE-OD1 3.28Å; K42-D106 WeakPolarHBondContact CE-OD1 3.47Å; K42-D106 IonicContact NZ-OD1 2.68Å; K42-D106 PolarHBondContact NZ-OD1 2.75Å
43	E	98.4	Very high	98.6	Very high	138 Å²	138	62 Å²	62	65%	0.645	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.2	178.8	-62.4	176.8	-166.4	0	0	112.7	K40 A41	K40-E43 VanDerWaalsContact O-CB 3.32Å; K40-E43 WeakPolarHBondContact O-CB 3.25Å; K40-E43 WeakPolarHBondContact O-CG 3.18Å; K40-E43 PolarHBondContact O-N 3.1Å; K40-E43 VanDerWaalsContact O-N 3.08Å; A41-E43 PolarHBondContact O-N 2.96Å
44	H	98.6	Very high	98.6	Very high	150 Å²	150	58.6 Å²	58.6	69%	0.694	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	2.2	177.8	-59.6	-64.8	0	0	0	113.9	A41 K42 Y46 C69	A41-H44 PolarHBondContact O-N 3.17Å; A41-H44 VanDerWaalsContact O-N 3.08Å; K42-H44 PolarHBondContact O-N 3.26Å; H44-Y46 PolarHBondContact O-N 3.28Å; H44-C69 PolarHBondContact O-SG 2.92Å
45	S	98.8	Very high	98.6	Very high	20 Å²	20	58.4 Å²	58.4	14%	0.14	27%	0.273	C	S	.	.			trans	-53.8	127.7	-179.7	174.2	0	0	0	0	111.8	K42 S47 N70	K42-S45 WeakPolarHBondContact O-CB 3.34Å; K42-S45 PolarHBondContact O-N 2.7Å; S45-S47 PolarHBondContact O-N 3.31Å; S45-S47 WeakPolarHBondContact OG-CB 3.46Å; S45-S47 PolarHBondContact OG-OG 2.94Å; S45-N70 PolarHBondContact OG-OD1 2.81Å
46	Y	98.8	Very high	98.6	Very high	122 Å²	122	58.4 Å²	58.4	48%	0.478	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-95.4	88.8	165.4	-179.3	-99.9	0	0	0	108.3	H44 P48 N70 V71 E72	H44-Y46 PolarHBondContact O-N 3.28Å; Y46-P48 VanDerWaalsContact C-CD 3.47Å; Y46-P48 HydrophobicContact CD1-CG 4.38Å; Y46-P48 HydrophobicContact CE1-CG 3.8Å; Y46-P48 HydrophobicContact CE2-CG 4.02Å; Y46-N70 PolarHBondContact N-O 3.46Å; Y46-N70 VanDerWaalsContact N-O 3.1Å; Y46-V71 HydrophobicContact CD1-CG1 4.05Å; Y46-V71 WeakPolarHBondContact O-CA 3.27Å; Y46-E72 VanDerWaalsContact CD1-O 3.31Å; Y46-E72 WeakPolarHBondContact CD1-O 3.38Å; Y46-E72 VanDerWaalsContact CE1-O 3.31Å; Y46-E72 WeakPolarHBondContact CE1-O 3.26Å; Y46-E72 PolarHBondContact O-N 2.96Å
47	S	98.6	Very high	98.6	Very high	12 Å²	12	56.4 Å²	56.4	8%	0.084	26%	0.262	C	S	.	.			trans	-130.6	58.8	-178.3	57.9	0	0	0	0	112.4	S45 Y49 K51 R53 E72	S45-S47 PolarHBondContact O-N 3.31Å; S45-S47 WeakPolarHBondContact OG-CB 3.46Å; S45-S47 PolarHBondContact OG-OG 2.94Å; S47-Y49 PolarHBondContact O-N 3.38Å; S47-K51 VanDerWaalsContact O-CA 3.29Å; S47-K51 WeakPolarHBondContact O-CA 3.42Å; S47-K51 PolarHBondContact O-N 3.42Å; S47-K51 VanDerWaalsContact O-N 3.1Å; S47-R53 WeakPolarHBondContact OG-CG 3.26Å; S47-E72 WeakPolarHBondContact CA-OE2 3.35Å
48	P	98.5	Very high	98.6	Very high	46 Å²	46	54.3 Å²	54.3	30%	0.299	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.1	-175.9	32.5	-37.4	0	0	0	113.2	Y46 K51	Y46-P48 VanDerWaalsContact C-CD 3.47Å; Y46-P48 HydrophobicContact CD1-CG 4.38Å; Y46-P48 HydrophobicContact CE1-CG 3.8Å; Y46-P48 HydrophobicContact CE2-CG 4.02Å; P48-K51 WeakPolarHBondContact O-CE 3.5Å; P48-K51 PolarHBondContact O-NZ 3.35Å
49	Y	98.5	Very high	98.6	Very high	92 Å²	92	55.5 Å²	55.5	36%	0.361	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-57.7	-176.2	-50.7	-81.9	0	0	0	110.9	S47 E72 A74 Y76	S47-Y49 PolarHBondContact O-N 3.38Å; Y49-E72 WeakPolarHBondContact CA-OE2 3.46Å; Y49-E72 WeakPolarHBondContact CB-OE2 3.31Å; Y49-E72 HydrophobicContact CD2-CB 3.61Å; Y49-E72 WeakPolarHBondContact CD2-OE2 3.44Å; Y49-E72 HydrophobicContact CE2-CB 4.06Å; Y49-E72 PolarHBondContact N-OE2 3.19Å; Y49-A74 HydrophobicContact CE1-CB 4.43Å; Y49-A74 WeakPolarHBondContact OH-CA 3.25Å; Y49-A74 WeakPolarHBondContact OH-CB 3.33Å; Y49-A74 PolarHBondContact OH-N 3.41Å; Y49-A74 VanDerWaalsContact OH-N 3.14Å; Y49-Y76 HydrophobicContact CD1-CE1 4.24Å; Y49-Y76 HydrophobicContact CG-CE1 4.14Å
50	S	97.9	Very high	98.6	Very high	61 Å²	61	54.4 Å²	54.4	43%	0.427	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-23.4	179.8	66.8	0	0	0	0	113.5	F52 E72	S50-F52 PolarHBondContact O-N 3.2Å; S50-F52 VanDerWaalsContact O-N 3.14Å; S50-F52 WeakPolarHBondContact OG-CB 3.41Å; S50-F52 PolarHBondContact OG-N 3.5Å; S50-E72 WeakPolarHBondContact CB-OE1 3.35Å; S50-E72 PolarHBondContact N-OE1 3.33Å; S50-E72 PolarHBondContact N-OE2 3.04Å; S50-E72 VanDerWaalsContact N-OE2 3.08Å; S50-E72 PolarHBondContact OG-OE1 2.87Å
51	K	98.2	Very high	98.4	Very high	149 Å²	149	52.4 Å²	52.4	65%	0.648	24%	0.242	S	C	*	.			trans	56.9	16.8	-165.2	-48.9	-54.4	-169.2	-170.7	0	113.5	S47 P48	S47-K51 VanDerWaalsContact O-CA 3.29Å; S47-K51 WeakPolarHBondContact O-CA 3.42Å; S47-K51 PolarHBondContact O-N 3.42Å; S47-K51 VanDerWaalsContact O-N 3.1Å; P48-K51 WeakPolarHBondContact O-CE 3.5Å; P48-K51 PolarHBondContact O-NZ 3.35Å
52	F	98.4	Very high	98.2	Very high	75 Å²	75	57.6 Å²	57.6	33%	0.329	27%	0.269	S	S	.	.			trans	-101.6	102.7	-179.2	-168.7	-98.2	0	0	0	110	S50 V54 N70 M107 I112	S50-F52 PolarHBondContact O-N 3.2Å; S50-F52 VanDerWaalsContact O-N 3.14Å; S50-F52 WeakPolarHBondContact OG-CB 3.41Å; S50-F52 PolarHBondContact OG-N 3.5Å; F52-V54 HydrophobicContact CD1-CG2 3.64Å; F52-V54 HydrophobicContact CE1-CG2 3.48Å; F52-V54 VanDerWaalsContact CE1-CG2 3.48Å; F52-N70 PolarHBondContact O-ND2 3.33Å; F52-M107 HydrophobicContact CE2-CG 3.57Å; F52-M107 HydrophobicContact CE2-SD 4.11Å; F52-M107 HydrophobicContact CZ-CE 4.07Å; F52-M107 HydrophobicContact CZ-CG 3.7Å; F52-M107 HydrophobicContact CZ-SD 3.86Å; F52-I112 HydrophobicContact CE1-CD1 4.13Å; F52-I112 HydrophobicContact CZ-CD1 4.25Å
53	R	98.8	Very high	98.1	Very high	91 Å²	91	58.4 Å²	58.4	34%	0.343	28%	0.282	S	S	.	.			trans	-88.7	135.1	-177.1	-54.4	178.8	-62.4	166.2	5.6	110.3	K42 S47 S105 D106	K42-R53 HydrophobicContact CD-CB 3.98Å; K42-R53 WeakPolarHBondContact CD-O 3.26Å; K42-R53 HydrophobicContact CG-CB 3.43Å; K42-R53 VanDerWaalsContact CG-CB 3.43Å; S47-R53 WeakPolarHBondContact OG-CG 3.26Å; R53-S105 WeakPolarHBondContact O-CA 3.39Å; R53-D106 IonicContact CZ-OD1 3.75Å; R53-D106 IonicContact CZ-OD2 3.4Å; R53-D106 IonicContact NE-OD1 3.82Å; R53-D106 IonicContact NE-OD2 2.79Å; R53-D106 PolarHBondContact NE-OD2 3.02Å; R53-D106 IonicContact NH2-OD1 2.89Å; R53-D106 PolarHBondContact NH2-OD1 3.39Å; R53-D106 IonicContact NH2-OD2 3.13Å; R53-D106 PolarHBondContact NH2-OD2 3.16Å; R53-D106 VanDerWaalsContact NH2-OD2 3.13Å
54	V	98.9	Very high	98.1	Very high	13 Å²	13	56.8 Å²	56.8	8%	0.079	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.9	175.9	-172.4	0	0	0	0	108.9	F52 C69 N70 A82 I103 A104	F52-V54 HydrophobicContact CD1-CG2 3.64Å; F52-V54 HydrophobicContact CE1-CG2 3.48Å; F52-V54 VanDerWaalsContact CE1-CG2 3.48Å; V54-C69 WeakPolarHBondContact O-CA 3.48Å; V54-C69 WeakPolarHBondContact O-CB 3.49Å; V54-N70 WeakPolarHBondContact CA-OD1 3.48Å; V54-N70 HydrophobicContact CB-CB 4.44Å; V54-N70 PolarHBondContact N-OD1 3.03Å; V54-N70 PolarHBondContact O-N 2.87Å; V54-N70 VanDerWaalsContact O-N 3.09Å; V54-N70 PolarHBondContact O-OD1 3.01Å; V54-A82 HydrophobicContact CB-CB 4.14Å; V54-A82 HydrophobicContact CG1-CB 3.78Å; V54-A82 WeakPolarHBondContact O-CB 3.37Å; V54-I103 HydrophobicContact CG1-CG2 3.83Å; V54-A104 CarbonylContact C-O 3.54Å; V54-A104 VanDerWaalsContact CA-O 3.25Å; V54-A104 WeakPolarHBondContact CA-O 3.25Å; V54-A104 WeakPolarHBondContact CG1-O 3.21Å
55	G	98.9	Very high	98.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.9	172.3	0	0	0	0	0	110.8	S38 G68 I103 A104	S38-G55 CarbonylContact O-C 3.56Å; S38-G55 WeakPolarHBondContact O-CA 3.44Å; G55-G68 CarbonylContact C-O 3.53Å; G55-G68 WeakPolarHBondContact CA-O 3.42Å; G55-I103 WeakPolarHBondContact O-CA 3.34Å; G55-A104 PolarHBondContact N-O 3.28Å; G55-A104 PolarHBondContact O-N 3.24Å
56	A	98.9	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.2	177.5	0	0	0	0	0	110.9	T67 G68 A82 E83 V86 I101 A102	A56-T67 CarbonylContact O-C 3.59Å; A56-T67 WeakPolarHBondContact O-CA 3.42Å; A56-G68 PolarHBondContact N-O 3.49Å; A56-G68 PolarHBondContact O-N 3.4Å; A56-A82 HydrophobicContact CB-CB 3.75Å; A56-E83 HydrophobicContact CB-CG 4.47Å; A56-V86 HydrophobicContact CB-CB 4.49Å; A56-V86 HydrophobicContact CB-CG1 3.83Å; A56-I101 HydrophobicContact CB-CD1 4.27Å; A56-A102 CarbonylContact C-O 3.44Å; A56-A102 VanDerWaalsContact CA-O 3.23Å; A56-A102 WeakPolarHBondContact CA-O 3.37Å
57	A	98.9	Very high	98.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.5	173.1	0	0	0	0	0	109.9	L34 Q37 V65 F66 T67 I101 A102	L34-A57 HydrophobicContact CD1-CB 3.76Å; L34-A57 WeakPolarHBondContact CD1-O 3.24Å; L34-A57 HydrophobicContact CG-CB 4.33Å; Q37-A57 HydrophobicContact CB-CB 3.87Å; A57-V65 HydrophobicContact CB-CG1 4.21Å; A57-F66 CarbonylContact C-O 3.59Å; A57-F66 WeakPolarHBondContact CA-O 3.36Å; A57-T67 HydrophobicContact CB-CG2 4.03Å; A57-I101 CarbonylContact O-C 3.6Å; A57-I101 VanDerWaalsContact O-CA 3.26Å; A57-I101 WeakPolarHBondContact O-CA 3.16Å; A57-I101 WeakPolarHBondContact O-CG1 3.46Å; A57-A102 PolarHBondContact N-O 2.88Å; A57-A102 PolarHBondContact O-N 3.22Å
58	V	98.8	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.9	-178.8	68.9	0	0	0	0	110.6	V65 F66 V86 A90 F98 A100 I101 W129	V58-V65 WeakPolarHBondContact O-CA 3.24Å; V58-V65 WeakPolarHBondContact O-CG1 3.33Å; V58-F66 HydrophobicContact CG1-CB 3.91Å; V58-F66 HydrophobicContact CG1-CD2 4.46Å; V58-F66 PolarHBondContact N-O 2.93Å; V58-F66 PolarHBondContact O-N 3.5Å; V58-V86 HydrophobicContact CB-CG1 4.27Å; V58-V86 HydrophobicContact CB-CG2 4.45Å; V58-V86 HydrophobicContact CG1-CG1 4.16Å; V58-V86 HydrophobicContact CG1-CG2 3.73Å; V58-A90 HydrophobicContact CG1-CB 4.28Å; V58-F98 HydrophobicContact CG1-CE1 4.43Å; V58-F98 HydrophobicContact CG2-CB 4.11Å; V58-F98 HydrophobicContact CG2-CD1 3.56Å; V58-F98 HydrophobicContact CG2-CE1 4.19Å; V58-F98 HydrophobicContact CG2-CG 3.9Å; V58-A100 CarbonylContact C-O 3.58Å; V58-A100 WeakPolarHBondContact CA-O 3.32Å; V58-A100 WeakPolarHBondContact CG2-O 3.23Å; V58-I101 HydrophobicContact CB-CB 4.31Å; V58-I101 HydrophobicContact CB-CD1 4.32Å; V58-I101 HydrophobicContact CB-CG1 4.29Å; V58-I101 HydrophobicContact CG2-CB 4.22Å; V58-W129 HydrophobicContact CG2-CH2 4.36Å; V58-W129 HydrophobicContact CG2-CZ3 3.87Å
59	K	98.6	Very high	98.1	Very high	24 Å²	24	46.5 Å²	46.5	10%	0.104	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.7	175.7	-170.5	176	174.2	101.3	0	109.8	L26 E30 L34 V65 I99 A100	L26-K59 HydrophobicContact CD1-CD 4.36Å; L26-K59 HydrophobicContact CD2-CD 3.92Å; L26-K59 HydrophobicContact CG-CD 4.08Å; E30-K59 VanDerWaalsContact OE1-CE 3.24Å; E30-K59 WeakPolarHBondContact OE1-CE 3.45Å; E30-K59 IonicContact OE1-NZ 3.52Å; E30-K59 PolarHBondContact OE1-NZ 3.37Å; L34-K59 HydrophobicContact CD1-CB 4.07Å; L34-K59 HydrophobicContact CD2-CB 4.38Å; K59-V65 HydrophobicContact CB-CG2 4.2Å; K59-V65 HydrophobicContact CG-CG2 4.06Å; K59-I99 HydrophobicContact CB-CG1 4.08Å; K59-I99 HydrophobicContact CD-CD1 3.87Å; K59-I99 HydrophobicContact CD-CG1 4.22Å; K59-I99 HydrophobicContact CG-CD1 3.97Å; K59-I99 HydrophobicContact CG-CG1 3.96Å; K59-I99 PolarHBondContact O-N 3.35Å; K59-A100 HydrophobicContact CB-CB 4.48Å; K59-A100 PolarHBondContact N-O 2.85Å; K59-A100 PolarHBondContact O-N 3.13Å
60	T	98.1	Very high	98.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	163.3	176.6	58.5	0	0	0	0	110.9	D62 G63 R64 F66 Y95 D97 F98	T60-D62 VanDerWaalsContact C-N 3.25Å; T60-D62 PolarHBondContact O-N 2.72Å; T60-D62 PolarHBondContact OG1-OD1 2.93Å; T60-G63 PolarHBondContact O-N 3Å; T60-R64 PolarHBondContact N-O 3.17Å; T60-R64 WeakPolarHBondContact OG1-CB 3.34Å; T60-R64 PolarHBondContact OG1-N 3.27Å; T60-R64 PolarHBondContact OG1-O 2.71Å; T60-F66 HydrophobicContact CG2-CD2 4.13Å; T60-F66 HydrophobicContact CG2-CE2 3.84Å; T60-Y95 HydrophobicContact CG2-CD1 3.87Å; T60-Y95 HydrophobicContact CG2-CG 4.15Å; T60-D97 CarbonylContact C-O 3.52Å; T60-D97 VanDerWaalsContact CA-O 3.23Å; T60-D97 WeakPolarHBondContact CA-O 3.43Å; T60-D97 WeakPolarHBondContact CB-O 3.24Å; T60-F98 HydrophobicContact CG2-CD1 3.8Å; T60-F98 HydrophobicContact CG2-CE1 3.88Å
61	R	95.4	Very high	98.2	Very high	84 Å²	84	42.8 Å²	42.8	32%	0.317	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.6	-177.5	-177.4	69.8	64.5	-159.6	-8.6	113.8	Q23 G63 D97 I99	Q23-R61 PolarHBondContact O-NH1 3.4Å; R61-G63 PolarHBondContact O-N 3.24Å; R61-D97 HydrophobicContact CB-CB 4.04Å; R61-D97 VanDerWaalsContact CB-CG 3.42Å; R61-D97 VanDerWaalsContact CB-OD2 3.24Å; R61-D97 WeakPolarHBondContact CB-OD2 3.09Å; R61-D97 WeakPolarHBondContact CG-OD2 3.37Å; R61-D97 IonicContact CZ-OD1 2.99Å; R61-D97 PolarHBondContact N-O 3.01Å; R61-D97 IonicContact NE-OD1 2.68Å; R61-D97 IonicContact NE-OD2 2.66Å; R61-D97 IonicContact NH2-OD1 3.66Å; R61-D97 PolarHBondContact NH2-OD1 3.26Å; R61-I99 HydrophobicContact CB-CG2 3.96Å; R61-I99 VanDerWaalsContact NH1-CG2 3.3Å
62	D	94.1	Very high	98.2	Very high	114 Å²	114	37.4 Å²	37.4	61%	0.61	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	4.4	178.7	75.3	-9.2	0	0	0	113.2	T60 R64 Y95	T60-D62 VanDerWaalsContact C-N 3.25Å; T60-D62 PolarHBondContact O-N 2.72Å; T60-D62 PolarHBondContact OG1-OD1 2.93Å; D62-R64 PolarHBondContact OD1-N 3.28Å; D62-Y95 VanDerWaalsContact OD2-CE1 3.27Å; D62-Y95 WeakPolarHBondContact OD2-CE1 3.49Å
63	G	95.7	Very high	98.2	Very high	34 Å²	34	37 Å²	37	35%	0.351	19%	0.193	S	C	.	.	S	Bend	trans	94.3	-5.6	174	0	0	0	0	0	114.5	T60 R61	T60-G63 PolarHBondContact O-N 3Å; R61-G63 PolarHBondContact O-N 3.24Å
64	R	98	Very high	98.2	Very high	104 Å²	104	36 Å²	36	39%	0.392	20%	0.204	S	C	.	.			trans	-69.9	140.3	178	-169.4	169.3	179.9	-177.3	-7.3	111.2	T60 D62 F66 E93 Y95	T60-R64 PolarHBondContact N-O 3.17Å; T60-R64 WeakPolarHBondContact OG1-CB 3.34Å; T60-R64 PolarHBondContact OG1-N 3.27Å; T60-R64 PolarHBondContact OG1-O 2.71Å; D62-R64 PolarHBondContact OD1-N 3.28Å; R64-F66 HydrophobicContact CB-CE2 4.23Å; R64-F66 HydrophobicContact CG-CD2 4.45Å; R64-F66 HydrophobicContact CG-CE2 3.74Å; R64-F66 HydrophobicContact CG-CZ 3.92Å; R64-E93 IonicContact CZ-OE2 3.32Å; R64-E93 IonicContact NH1-OE2 3.95Å; R64-E93 IonicContact NH2-OE2 2.69Å; R64-E93 PolarHBondContact NH2-OE2 2.8Å; R64-Y95 HydrophobicContact CB-CE1 4.1Å; R64-Y95 VanDerWaalsContact CD-CZ 3.44Å; R64-Y95 WeakPolarHBondContact CD-OH 3.38Å; R64-Y95 VanDerWaalsContact NH1-CE2 3.27Å; R64-Y95 PolarHBondContact NH1-OH 3.19Å
65	V	98.7	Very high	98.1	Very high	43 Å²	43	38.5 Å²	38.5	26%	0.261	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.5	176.4	-171.4	0	0	0	0	110.8	L34 A57 V58 K59	L34-V65 HydrophobicContact CD1-CG1 3.66Å; L34-V65 HydrophobicContact CD1-CG2 4.38Å; A57-V65 HydrophobicContact CB-CG1 4.21Å; V58-V65 WeakPolarHBondContact O-CA 3.24Å; V58-V65 WeakPolarHBondContact O-CG1 3.33Å; K59-V65 HydrophobicContact CB-CG2 4.2Å; K59-V65 HydrophobicContact CG-CG2 4.06Å
66	F	98.9	Very high	97.8	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.2	172.7	-60.9	-96.6	0	0	0	109.1	A57 V58 T60 R64 V86 K89 A90 E93 Y95	A57-F66 CarbonylContact C-O 3.59Å; A57-F66 WeakPolarHBondContact CA-O 3.36Å; V58-F66 HydrophobicContact CG1-CB 3.91Å; V58-F66 HydrophobicContact CG1-CD2 4.46Å; V58-F66 PolarHBondContact N-O 2.93Å; V58-F66 PolarHBondContact O-N 3.5Å; T60-F66 HydrophobicContact CG2-CD2 4.13Å; T60-F66 HydrophobicContact CG2-CE2 3.84Å; R64-F66 HydrophobicContact CB-CE2 4.23Å; R64-F66 HydrophobicContact CG-CD2 4.45Å; R64-F66 HydrophobicContact CG-CE2 3.74Å; R64-F66 HydrophobicContact CG-CZ 3.92Å; F66-V86 HydrophobicContact CB-CG2 3.78Å; F66-V86 WeakPolarHBondContact O-CG2 3.48Å; F66-K89 HydrophobicContact CD1-CD 4.38Å; F66-K89 HydrophobicContact CD1-CG 4.22Å; F66-A90 HydrophobicContact CB-CB 4.24Å; F66-A90 HydrophobicContact CD1-CB 4.15Å; F66-A90 HydrophobicContact CD2-CB 3.57Å; F66-A90 HydrophobicContact CE1-CB 4.43Å; F66-A90 HydrophobicContact CE2-CB 3.9Å; F66-A90 HydrophobicContact CG-CB 3.72Å; F66-A90 HydrophobicContact CZ-CB 4.32Å; F66-E93 HydrophobicContact CE1-CB 4.04Å; F66-E93 HydrophobicContact CE1-CG 4.28Å; F66-E93 WeakPolarHBondContact CE1-OE2 3.3Å; F66-E93 HydrophobicContact CZ-CB 4.36Å; F66-Y95 HydrophobicContact CE1-CD2 4.46Å; F66-Y95 HydrophobicContact CE2-CD1 4.19Å; F66-Y95 AromaticContact CE2-CD2 3.96Å; F66-Y95 HydrophobicContact CE2-CD2 3.96Å; F66-Y95 HydrophobicContact CE2-CE2 4.48Å; F66-Y95 AromaticContact CE2-CG 3.82Å; F66-Y95 HydrophobicContact CE2-CG 3.82Å; F66-Y95 HydrophobicContact CZ-CD1 4.39Å; F66-Y95 AromaticContact CZ-CD2 3.44Å; F66-Y95 HydrophobicContact CZ-CD2 3.44Å; F66-Y95 VanDerWaalsContact CZ-CD2 3.44Å; F66-Y95 AromaticContact CZ-CE2 3.77Å; F66-Y95 HydrophobicContact CZ-CE2 3.77Å; F66-Y95 AromaticContact CZ-CG 3.81Å; F66-Y95 HydrophobicContact CZ-CG 3.81Å
67	T	98.9	Very high	97.7	Very high	54 Å²	54	52.9 Å²	52.9	33%	0.331	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.2	176.7	54.6	0	0	0	0	111.5	Q37 A41 A56 A57 V86	Q37-T67 HydrophobicContact CB-CG2 3.98Å; A41-T67 HydrophobicContact CB-CG2 4.38Å; A56-T67 CarbonylContact O-C 3.59Å; A56-T67 WeakPolarHBondContact O-CA 3.42Å; A57-T67 HydrophobicContact CB-CG2 4.03Å; T67-V86 VanDerWaalsContact C-CG2 3.4Å
68	G	98.7	Very high	97.7	Very high	14 Å²	14	58.2 Å²	58.2	14%	0.144	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	166.2	177.6	0	0	0	0	0	112	A41 G55 A56	A41-G68 VanDerWaalsContact CB-O 3.31Å; A41-G68 WeakPolarHBondContact CB-O 3.43Å; G55-G68 CarbonylContact C-O 3.53Å; G55-G68 WeakPolarHBondContact CA-O 3.42Å; A56-G68 PolarHBondContact N-O 3.49Å; A56-G68 PolarHBondContact O-N 3.4Å
69	C	98.9	Very high	97.7	Very high	17 Å²	17	59 Å²	59	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	167.6	178.5	57.7	0	0	0	0	110.4	A41 H44 V54 A82 N85	A41-C69 WeakPolarHBondContact O-CB 3.49Å; H44-C69 PolarHBondContact O-SG 2.92Å; V54-C69 WeakPolarHBondContact O-CA 3.48Å; V54-C69 WeakPolarHBondContact O-CB 3.49Å; C69-A82 VanDerWaalsContact C-CA 3.44Å; C69-N85 PolarHBondContact O-ND2 2.75Å
70	N	98.9	Very high	97.7	Very high	14 Å²	14	59.7 Å²	59.7	8%	0.075	33%	0.329	C	S	.	.			trans	-70.9	144.7	171.7	61.3	-50.6	0	0	0	111.3	S45 Y46 F52 V54 V80	S45-N70 PolarHBondContact OG-OD1 2.81Å; Y46-N70 PolarHBondContact N-O 3.46Å; Y46-N70 VanDerWaalsContact N-O 3.1Å; F52-N70 PolarHBondContact O-ND2 3.33Å; V54-N70 WeakPolarHBondContact CA-OD1 3.48Å; V54-N70 HydrophobicContact CB-CB 4.44Å; V54-N70 PolarHBondContact N-OD1 3.03Å; V54-N70 PolarHBondContact O-N 2.87Å; V54-N70 VanDerWaalsContact O-N 3.09Å; V54-N70 PolarHBondContact O-OD1 3.01Å; N70-V80 VanDerWaalsContact CA-O 3.26Å; N70-V80 WeakPolarHBondContact CA-O 3.42Å; N70-V80 WeakPolarHBondContact CB-O 3.2Å
71	V	98.9	Very high	97.7	Very high	60 Å²	60	61.1 Å²	61.1	36%	0.364	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-129.9	112.2	175.9	177.6	0	0	0	0	107.3	Y46 G79 V80	Y46-V71 HydrophobicContact CD1-CG1 4.05Å; Y46-V71 WeakPolarHBondContact O-CA 3.27Å; V71-G79 WeakPolarHBondContact O-CA 3.44Å; V71-V80 HydrophobicContact CB-CG1 3.88Å; V71-V80 PolarHBondContact N-O 3.38Å; V71-V80 PolarHBondContact O-N 3.37Å
72	E	98.8	Very high	97.9	Very high	36 Å²	36	57.1 Å²	57.1	17%	0.168	32%	0.324	C	S	.	.			trans	-85.7	168.3	178.8	-59.6	-171.8	143.1	0	0	112.1	Y46 S47 Y49 S50	Y46-E72 VanDerWaalsContact CD1-O 3.31Å; Y46-E72 WeakPolarHBondContact CD1-O 3.38Å; Y46-E72 VanDerWaalsContact CE1-O 3.31Å; Y46-E72 WeakPolarHBondContact CE1-O 3.26Å; Y46-E72 PolarHBondContact O-N 2.96Å; S47-E72 WeakPolarHBondContact CA-OE2 3.35Å; Y49-E72 WeakPolarHBondContact CA-OE2 3.46Å; Y49-E72 WeakPolarHBondContact CB-OE2 3.31Å; Y49-E72 HydrophobicContact CD2-CB 3.61Å; Y49-E72 WeakPolarHBondContact CD2-OE2 3.44Å; Y49-E72 HydrophobicContact CE2-CB 4.06Å; Y49-E72 PolarHBondContact N-OE2 3.19Å; S50-E72 WeakPolarHBondContact CB-OE1 3.35Å; S50-E72 PolarHBondContact N-OE1 3.33Å; S50-E72 PolarHBondContact N-OE2 3.04Å; S50-E72 VanDerWaalsContact N-OE2 3.08Å; S50-E72 PolarHBondContact OG-OE1 2.87Å
73	N	98.8	Very high	98.1	Very high	66 Å²	66	52.1 Å²	52.1	35%	0.353	30%	0.297	S	S	.	.			trans	-144.3	152.5	178.2	-168.2	-81.6	0	0	0	109.6	C75 Y76 L78	N73-C75 CarbonylContact O-C 3.56Å; N73-C75 PolarHBondContact O-N 2.99Å; N73-C75 WeakPolarHBondContact OD1-CB 3.46Å; N73-C75 PolarHBondContact OD1-N 3.38Å; N73-Y76 WeakPolarHBondContact O-CD1 3.45Å; N73-L78 HydrophobicContact CB-CB 3.97Å
74	A	98.2	Very high	98.2	Very high	71 Å²	71	53.9 Å²	53.9	59%	0.587	29%	0.293	S	S	*	.	S	Bend	trans	-56	-35.1	174.6	0	0	0	0	0	111.9	Y49 Y76	Y49-A74 HydrophobicContact CE1-CB 4.43Å; Y49-A74 WeakPolarHBondContact OH-CA 3.25Å; Y49-A74 WeakPolarHBondContact OH-CB 3.33Å; Y49-A74 PolarHBondContact OH-N 3.41Å; Y49-A74 VanDerWaalsContact OH-N 3.14Å; A74-Y76 WeakPolarHBondContact O-CD1 3.46Å
75	C	97.9	Very high	98.3	Very high	65 Å²	65	51 Å²	51	44%	0.439	29%	0.285	S	S	.	.	S	Bend	trans	-89.7	100.8	167.9	-158.6	0	0	0	0	108.6	N73 N77 L78	N73-C75 CarbonylContact O-C 3.56Å; N73-C75 PolarHBondContact O-N 2.99Å; N73-C75 WeakPolarHBondContact OD1-CB 3.46Å; N73-C75 PolarHBondContact OD1-N 3.38Å; C75-N77 PolarHBondContact O-N 2.86Å; C75-N77 VanDerWaalsContact O-N 3.11Å; C75-N77 PolarHBondContact SG-OD1 2.81Å; C75-L78 HydrophobicContact CB-CD1 3.81Å; C75-L78 HydrophobicContact CB-CG 4Å; C75-L78 WeakPolarHBondContact O-CB 3.24Å; C75-L78 PolarHBondContact O-N 3.2Å
76	Y	92.7	Very high	98.3	Very high	174 Å²	174	49 Å²	49	68%	0.682	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-60.5	-30.4	-163.2	-78.2	21.5	0	0	0	114.2	Y49 N73 A74 L78 G79	Y49-Y76 HydrophobicContact CD1-CE1 4.24Å; Y49-Y76 HydrophobicContact CG-CE1 4.14Å; N73-Y76 WeakPolarHBondContact O-CD1 3.45Å; A74-Y76 WeakPolarHBondContact O-CD1 3.46Å; Y76-L78 PolarHBondContact O-N 2.93Å; Y76-G79 PolarHBondContact O-N 2.93Å; Y76-G79 VanDerWaalsContact O-N 3.12Å
77	N	96.5	Very high	98.3	Very high	129 Å²	129	48.8 Å²	48.8	69%	0.69	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.6	176.3	64.6	-34.1	0	0	0	113.7	C75 G79	C75-N77 PolarHBondContact O-N 2.86Å; C75-N77 VanDerWaalsContact O-N 3.11Å; C75-N77 PolarHBondContact SG-OD1 2.81Å; N77-G79 VanDerWaalsContact C-N 3.32Å
78	L	98.1	Very high	98.3	Very high	111 Å²	111	49 Å²	49	58%	0.581	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-86.4	-6.9	175	-54.8	-176.8	0	0	0	112.6	N73 C75 Y76	N73-L78 HydrophobicContact CB-CB 3.97Å; C75-L78 HydrophobicContact CB-CD1 3.81Å; C75-L78 HydrophobicContact CB-CG 4Å; C75-L78 WeakPolarHBondContact O-CB 3.24Å; C75-L78 PolarHBondContact O-N 3.2Å; Y76-L78 PolarHBondContact O-N 2.93Å
79	G	98.3	Very high	98.3	Very high	18 Å²	18	52.5 Å²	52.5	19%	0.186	29%	0.29	C	S	.	.			trans	-65.2	146.6	174.3	0	0	0	0	0	112.4	V71 Y76 N77 R84	V71-G79 WeakPolarHBondContact O-CA 3.44Å; Y76-G79 PolarHBondContact O-N 2.93Å; Y76-G79 VanDerWaalsContact O-N 3.12Å; N77-G79 VanDerWaalsContact C-N 3.32Å; G79-R84 PolarHBondContact O-NH2 3.36Å
80	V	98.7	Very high	98.3	Very high	38 Å²	38	51.7 Å²	51.7	23%	0.23	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-126.7	133.9	-178.1	58.3	0	0	0	0	110.8	N70 V71 R84 N85	N70-V80 VanDerWaalsContact CA-O 3.26Å; N70-V80 WeakPolarHBondContact CA-O 3.42Å; N70-V80 WeakPolarHBondContact CB-O 3.2Å; V71-V80 HydrophobicContact CB-CG1 3.88Å; V71-V80 PolarHBondContact N-O 3.38Å; V71-V80 PolarHBondContact O-N 3.37Å; V80-R84 HydrophobicContact CG2-CB 3.78Å; V80-N85 VanDerWaalsContact CG1-ND2 3.29Å; V80-N85 WeakPolarHBondContact CG1-ND2 3.21Å; V80-N85 WeakPolarHBondContact CG1-OD1 3.27Å; V80-N85 HydrophobicContact CG2-CB 4.46Å; V80-N85 WeakPolarHBondContact CG2-OD1 3.37Å
81	C	98.8	Very high	98.3	Very high	32 Å²	32	53 Å²	53	22%	0.216	29%	0.293	C	S	.	.			trans	-76.8	159.5	179.9	-58.1	0	0	0	0	111.1	E83 R84 N85 C118	C81-E83 VanDerWaalsContact C-N 3.29Å; C81-E83 WeakPolarHBondContact CB-OE2 3.49Å; C81-E83 PolarHBondContact O-N 3.46Å; C81-R84 PolarHBondContact O-N 2.91Å; C81-R84 PolarHBondContact SG-NH2 2.94Å; C81-N85 PolarHBondContact O-N 2.98Å; C81-C118 WeakPolarHBondContact CB-SG 3.48Å
82	A	98.9	Very high	98.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-41.3	-178.6	0	0	0	0	0	112.8	V54 A56 C69 N85 V86	V54-A82 HydrophobicContact CB-CB 4.14Å; V54-A82 HydrophobicContact CG1-CB 3.78Å; V54-A82 WeakPolarHBondContact O-CB 3.37Å; A56-A82 HydrophobicContact CB-CB 3.75Å; C69-A82 VanDerWaalsContact C-CA 3.44Å; A82-N85 PolarHBondContact O-N 3.18Å; A82-V86 WeakPolarHBondContact O-CG1 3.46Å; A82-V86 PolarHBondContact O-N 2.95Å
83	E	98.9	Very high	98.2	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-45.3	-178.8	-44.3	94.3	108.9	0	0	110.9	A56 C81 V86 I87 I101 I103 P114 C118 M122	A56-E83 HydrophobicContact CB-CG 4.47Å; C81-E83 VanDerWaalsContact C-N 3.29Å; C81-E83 WeakPolarHBondContact CB-OE2 3.49Å; C81-E83 PolarHBondContact O-N 3.46Å; E83-V86 WeakPolarHBondContact O-CG1 3.17Å; E83-V86 PolarHBondContact O-N 3.48Å; E83-I87 WeakPolarHBondContact O-CB 3.34Å; E83-I87 WeakPolarHBondContact O-CD1 3.45Å; E83-I87 WeakPolarHBondContact O-CG1 3.44Å; E83-I87 PolarHBondContact O-N 3.12Å; E83-I101 HydrophobicContact CB-CD1 4.08Å; E83-I101 HydrophobicContact CG-CD1 4.37Å; E83-I103 HydrophobicContact CG-CD1 3.73Å; E83-I103 HydrophobicContact CG-CG1 3.96Å; E83-I103 HydrophobicContact CG-CG2 4.45Å; E83-P114 VanDerWaalsContact OE1-CA 3.29Å; E83-P114 WeakPolarHBondContact OE1-CA 3.49Å; E83-P114 VanDerWaalsContact OE1-CB 3.3Å; E83-P114 WeakPolarHBondContact OE1-CB 3.42Å; E83-C118 HydrophobicContact CB-CB 4.03Å; E83-C118 HydrophobicContact CG-CB 4.27Å; E83-C118 WeakPolarHBondContact OE1-CB 3.43Å; E83-C118 PolarHBondContact OE1-SG 2.89Å; E83-M122 HydrophobicContact CB-CE 3.64Å; E83-M122 HydrophobicContact CG-CE 3.72Å
84	R	98.8	Very high	98.2	Very high	71 Å²	71	56.7 Å²	56.7	27%	0.268	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-42	177.1	-73.1	-176.3	-73	144	-0.7	111.3	G79 V80 C81 A88 V121	G79-R84 PolarHBondContact O-NH2 3.36Å; V80-R84 HydrophobicContact CG2-CB 3.78Å; C81-R84 PolarHBondContact O-N 2.91Å; C81-R84 PolarHBondContact SG-NH2 2.94Å; R84-A88 VanDerWaalsContact O-CB 3.24Å; R84-A88 WeakPolarHBondContact O-CB 3.29Å; R84-A88 PolarHBondContact O-N 3.41Å; R84-V121 HydrophobicContact CG-CB 4.32Å; R84-V121 HydrophobicContact CG-CG1 4.49Å; R84-V121 HydrophobicContact CG-CG2 4.07Å
85	N	98.6	Very high	98.2	Very high	45 Å²	45	55.9 Å²	55.9	24%	0.241	31%	0.314	C	S	.	.	H	α-helix	trans	-62.1	-47.8	176.6	-92.3	-13.7	0	0	0	112.5	C69 V80 C81 A82 A88 K89	C69-N85 PolarHBondContact O-ND2 2.75Å; V80-N85 VanDerWaalsContact CG1-ND2 3.29Å; V80-N85 WeakPolarHBondContact CG1-ND2 3.21Å; V80-N85 WeakPolarHBondContact CG1-OD1 3.27Å; V80-N85 HydrophobicContact CG2-CB 4.46Å; V80-N85 WeakPolarHBondContact CG2-OD1 3.37Å; C81-N85 PolarHBondContact O-N 2.98Å; A82-N85 PolarHBondContact O-N 3.18Å; N85-A88 PolarHBondContact O-N 3.17Å; N85-K89 WeakPolarHBondContact O-CB 3.23Å; N85-K89 PolarHBondContact O-N 2.9Å
86	V	98.8	Very high	98.2	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-69.4	-37.2	-177.1	75.8	0	0	0	0	112.1	A56 V58 F66 T67 A82 E83 K89 A90 I101	A56-V86 HydrophobicContact CB-CB 4.49Å; A56-V86 HydrophobicContact CB-CG1 3.83Å; V58-V86 HydrophobicContact CB-CG1 4.27Å; V58-V86 HydrophobicContact CB-CG2 4.45Å; V58-V86 HydrophobicContact CG1-CG1 4.16Å; V58-V86 HydrophobicContact CG1-CG2 3.73Å; F66-V86 HydrophobicContact CB-CG2 3.78Å; F66-V86 WeakPolarHBondContact O-CG2 3.48Å; T67-V86 VanDerWaalsContact C-CG2 3.4Å; A82-V86 WeakPolarHBondContact O-CG1 3.46Å; A82-V86 PolarHBondContact O-N 2.95Å; E83-V86 WeakPolarHBondContact O-CG1 3.17Å; E83-V86 PolarHBondContact O-N 3.48Å; V86-K89 PolarHBondContact O-N 3.34Å; V86-A90 PolarHBondContact O-N 2.95Å; V86-I101 HydrophobicContact CG1-CD1 3.89Å
87	I	98.9	Very high	98.5	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-65	-47.6	174.1	-68.9	167.4	0	0	0	110	E83 K89 A90 V91 F98 V121 M122 F125 W129	E83-I87 WeakPolarHBondContact O-CB 3.34Å; E83-I87 WeakPolarHBondContact O-CD1 3.45Å; E83-I87 WeakPolarHBondContact O-CG1 3.44Å; E83-I87 PolarHBondContact O-N 3.12Å; I87-K89 VanDerWaalsContact C-N 3.28Å; I87-K89 PolarHBondContact O-N 2.69Å; I87-A90 PolarHBondContact O-N 2.72Å; I87-V91 HydrophobicContact CG2-CG2 4.16Å; I87-V91 WeakPolarHBondContact O-CB 3.49Å; I87-V91 VanDerWaalsContact O-CG2 3.23Å; I87-V91 WeakPolarHBondContact O-CG2 3.41Å; I87-V91 PolarHBondContact O-N 2.93Å; I87-F98 HydrophobicContact CG2-CE2 4.11Å; I87-F98 HydrophobicContact CG2-CZ 4.4Å; I87-V121 HydrophobicContact CB-CG1 4.44Å; I87-V121 HydrophobicContact CD1-CG1 4.07Å; I87-V121 HydrophobicContact CG2-CG1 4Å; I87-M122 HydrophobicContact CD1-CG 3.76Å; I87-F125 HydrophobicContact CG2-CD2 3.85Å; I87-F125 HydrophobicContact CG2-CE2 3.47Å; I87-F125 VanDerWaalsContact CG2-CE2 3.47Å; I87-F125 HydrophobicContact CG2-CZ 4.22Å; I87-W129 HydrophobicContact CD1-CH2 4.32Å
88	A	98.8	Very high	98.6	Very high	57 Å²	57	48.9 Å²	48.9	47%	0.471	28%	0.277	S	S	.	.	H	α-helix	trans	-58	-42	177.7	0	0	0	0	0	111.8	R84 N85 V91 S92	R84-A88 VanDerWaalsContact O-CB 3.24Å; R84-A88 WeakPolarHBondContact O-CB 3.29Å; R84-A88 PolarHBondContact O-N 3.41Å; N85-A88 PolarHBondContact O-N 3.17Å; A88-V91 PolarHBondContact O-N 3.23Å; A88-S92 WeakPolarHBondContact O-CB 3.34Å; A88-S92 PolarHBondContact O-N 2.95Å; A88-S92 PolarHBondContact O-OG 3.28Å
89	K	98.8	Very high	98.6	Very high	89 Å²	89	44.2 Å²	44.2	39%	0.387	25%	0.253	S	S	.	.	H	α-helix	trans	-58.4	-55.5	174.2	-178	-179.4	178.7	178.8	0	111.5	F66 N85 V86 I87 V91 S92 E93	F66-K89 HydrophobicContact CD1-CD 4.38Å; F66-K89 HydrophobicContact CD1-CG 4.22Å; N85-K89 WeakPolarHBondContact O-CB 3.23Å; N85-K89 PolarHBondContact O-N 2.9Å; V86-K89 PolarHBondContact O-N 3.34Å; I87-K89 VanDerWaalsContact C-N 3.28Å; I87-K89 PolarHBondContact O-N 2.69Å; K89-V91 VanDerWaalsContact C-N 3.31Å; K89-V91 PolarHBondContact O-N 3.33Å; K89-S92 PolarHBondContact O-N 3.02Å; K89-S92 VanDerWaalsContact O-N 3.17Å; K89-S92 PolarHBondContact O-OG 3.47Å; K89-E93 WeakPolarHBondContact CE-OE1 3.49Å; K89-E93 PolarHBondContact O-N 2.86Å; K89-E93 VanDerWaalsContact O-N 3.12Å
90	A	98.8	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-43.7	-179.2	0	0	0	0	0	112.2	V58 F66 V86 I87 S92 E93 G94 Y95 F98	V58-A90 HydrophobicContact CG1-CB 4.28Å; F66-A90 HydrophobicContact CB-CB 4.24Å; F66-A90 HydrophobicContact CD1-CB 4.15Å; F66-A90 HydrophobicContact CD2-CB 3.57Å; F66-A90 HydrophobicContact CE1-CB 4.43Å; F66-A90 HydrophobicContact CE2-CB 3.9Å; F66-A90 HydrophobicContact CG-CB 3.72Å; F66-A90 HydrophobicContact CZ-CB 4.32Å; V86-A90 PolarHBondContact O-N 2.95Å; I87-A90 PolarHBondContact O-N 2.72Å; A90-S92 PolarHBondContact O-N 3.44Å; A90-E93 CarbonylContact O-C 3.48Å; A90-E93 PolarHBondContact O-N 3.4Å; A90-E93 VanDerWaalsContact O-N 3.17Å; A90-G94 PolarHBondContact O-N 2.99Å; A90-Y95 CarbonylContact C-O 3.19Å; A90-Y95 WeakPolarHBondContact O-CB 3.5Å; A90-Y95 PolarHBondContact O-N 2.87Å; A90-F98 HydrophobicContact CB-CE1 3.66Å; A90-F98 HydrophobicContact CB-CZ 3.93Å
91	V	98.8	Very high	98.6	Very high	40 Å²	40	41.5 Å²	41.5	24%	0.242	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-42.9	177.6	172.8	0	0	0	0	111.6	I87 A88 K89 E93 G94 Y95 K96 F98 F125	I87-V91 HydrophobicContact CG2-CG2 4.16Å; I87-V91 WeakPolarHBondContact O-CB 3.49Å; I87-V91 VanDerWaalsContact O-CG2 3.23Å; I87-V91 WeakPolarHBondContact O-CG2 3.41Å; I87-V91 PolarHBondContact O-N 2.93Å; A88-V91 PolarHBondContact O-N 3.23Å; K89-V91 VanDerWaalsContact C-N 3.31Å; K89-V91 PolarHBondContact O-N 3.33Å; V91-E93 PolarHBondContact O-N 3.01Å; V91-G94 PolarHBondContact O-N 2.96Å; V91-Y95 WeakPolarHBondContact CA-O 3.29Å; V91-Y95 PolarHBondContact N-O 2.88Å; V91-K96 HydrophobicContact CG2-CG 4.45Å; V91-F98 HydrophobicContact CG2-CE2 4.41Å; V91-F98 HydrophobicContact CG2-CZ 4.07Å; V91-F125 HydrophobicContact CG2-CD1 4.44Å; V91-F125 HydrophobicContact CG2-CE1 3.6Å; V91-F125 HydrophobicContact CG2-CE2 4.24Å; V91-F125 HydrophobicContact CG2-CZ 3.49Å; V91-F125 VanDerWaalsContact CG2-CZ 3.49Å
92	S	98.7	Very high	98.6	Very high	97 Å²	97	40 Å²	40	68%	0.678	22%	0.223	S	C	*	.	H	α-helix	trans	-63.6	-25.9	177.6	75.4	0	0	0	0	112.7	A88 K89 A90 G94	A88-S92 WeakPolarHBondContact O-CB 3.34Å; A88-S92 PolarHBondContact O-N 2.95Å; A88-S92 PolarHBondContact O-OG 3.28Å; K89-S92 PolarHBondContact O-N 3.02Å; K89-S92 VanDerWaalsContact O-N 3.17Å; K89-S92 PolarHBondContact O-OG 3.47Å; A90-S92 PolarHBondContact O-N 3.44Å; S92-G94 VanDerWaalsContact C-N 3.34Å
93	E	98.6	Very high	98.6	Very high	82 Å²	82	40 Å²	40	38%	0.383	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	6.7	175.2	-65.6	-171	-132.7	0	0	113.2	R64 F66 K89 A90 V91 Y95	R64-E93 IonicContact CZ-OE2 3.32Å; R64-E93 IonicContact NH1-OE2 3.95Å; R64-E93 IonicContact NH2-OE2 2.69Å; R64-E93 PolarHBondContact NH2-OE2 2.8Å; F66-E93 HydrophobicContact CE1-CB 4.04Å; F66-E93 HydrophobicContact CE1-CG 4.28Å; F66-E93 WeakPolarHBondContact CE1-OE2 3.3Å; F66-E93 HydrophobicContact CZ-CB 4.36Å; K89-E93 WeakPolarHBondContact CE-OE1 3.49Å; K89-E93 PolarHBondContact O-N 2.86Å; K89-E93 VanDerWaalsContact O-N 3.12Å; A90-E93 CarbonylContact O-C 3.48Å; A90-E93 PolarHBondContact O-N 3.4Å; A90-E93 VanDerWaalsContact O-N 3.17Å; V91-E93 PolarHBondContact O-N 3.01Å; E93-Y95 HydrophobicContact CB-CD2 4.09Å; E93-Y95 HydrophobicContact CB-CE2 4.33Å; E93-Y95 VanDerWaalsContact O-CD2 3.25Å; E93-Y95 WeakPolarHBondContact O-CD2 3.41Å; E93-Y95 VanDerWaalsContact O-CE2 3.26Å; E93-Y95 WeakPolarHBondContact O-CE2 3.1Å
94	G	98.4	Very high	98.6	Very high	62 Å²	62	39.6 Å²	39.6	64%	0.639	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.7	7	173.9	0	0	0	0	0	115.7	A90 V91 S92	A90-G94 PolarHBondContact O-N 2.99Å; V91-G94 PolarHBondContact O-N 2.96Å; S92-G94 VanDerWaalsContact C-N 3.34Å
95	Y	98.6	Very high	98.6	Very high	54 Å²	54	36.2 Å²	36.2	21%	0.212	21%	0.208	C	C	.	.			trans	-104.2	122.3	-174.6	-64	-101.6	0	0	0	111.7	T60 D62 R64 F66 A90 V91 E93 F98	T60-Y95 HydrophobicContact CG2-CD1 3.87Å; T60-Y95 HydrophobicContact CG2-CG 4.15Å; D62-Y95 VanDerWaalsContact OD2-CE1 3.27Å; D62-Y95 WeakPolarHBondContact OD2-CE1 3.49Å; R64-Y95 HydrophobicContact CB-CE1 4.1Å; R64-Y95 VanDerWaalsContact CD-CZ 3.44Å; R64-Y95 WeakPolarHBondContact CD-OH 3.38Å; R64-Y95 VanDerWaalsContact NH1-CE2 3.27Å; R64-Y95 PolarHBondContact NH1-OH 3.19Å; F66-Y95 HydrophobicContact CE1-CD2 4.46Å; F66-Y95 HydrophobicContact CE2-CD1 4.19Å; F66-Y95 AromaticContact CE2-CD2 3.96Å; F66-Y95 HydrophobicContact CE2-CD2 3.96Å; F66-Y95 HydrophobicContact CE2-CE2 4.48Å; F66-Y95 AromaticContact CE2-CG 3.82Å; F66-Y95 HydrophobicContact CE2-CG 3.82Å; F66-Y95 HydrophobicContact CZ-CD1 4.39Å; F66-Y95 AromaticContact CZ-CD2 3.44Å; F66-Y95 HydrophobicContact CZ-CD2 3.44Å; F66-Y95 VanDerWaalsContact CZ-CD2 3.44Å; F66-Y95 AromaticContact CZ-CE2 3.77Å; F66-Y95 HydrophobicContact CZ-CE2 3.77Å; F66-Y95 AromaticContact CZ-CG 3.81Å; F66-Y95 HydrophobicContact CZ-CG 3.81Å; A90-Y95 CarbonylContact C-O 3.19Å; A90-Y95 WeakPolarHBondContact O-CB 3.5Å; A90-Y95 PolarHBondContact O-N 2.87Å; V91-Y95 WeakPolarHBondContact CA-O 3.29Å; V91-Y95 PolarHBondContact N-O 2.88Å; E93-Y95 HydrophobicContact CB-CD2 4.09Å; E93-Y95 HydrophobicContact CB-CE2 4.33Å; E93-Y95 VanDerWaalsContact O-CD2 3.25Å; E93-Y95 WeakPolarHBondContact O-CD2 3.41Å; E93-Y95 VanDerWaalsContact O-CE2 3.26Å; E93-Y95 WeakPolarHBondContact O-CE2 3.1Å; Y95-F98 WeakPolarHBondContact O-CZ 3.25Å
96	K	98	Very high	98.5	Very high	131 Å²	131	36.7 Å²	36.7	57%	0.57	21%	0.21	S	C	*	.			trans	-132.7	-5.5	-177.2	-57.6	-177.9	-175	179.8	0	114.5	V91 F125	V91-K96 HydrophobicContact CG2-CG 4.45Å; K96-F125 HydrophobicContact CB-CD1 4.18Å; K96-F125 HydrophobicContact CB-CE1 4.45Å; K96-F125 HydrophobicContact CG-CE1 4.33Å
97	D	97.6	Very high	98.4	Very high	85 Å²	85	39.2 Å²	39.2	46%	0.455	22%	0.223	S	C	.	.			trans	-100.3	96.9	176.5	-173.4	-2.6	0	0	0	108.8	T60 R61	T60-D97 CarbonylContact C-O 3.52Å; T60-D97 VanDerWaalsContact CA-O 3.23Å; T60-D97 WeakPolarHBondContact CA-O 3.43Å; T60-D97 WeakPolarHBondContact CB-O 3.24Å; R61-D97 HydrophobicContact CB-CB 4.04Å; R61-D97 VanDerWaalsContact CB-CG 3.42Å; R61-D97 VanDerWaalsContact CB-OD2 3.24Å; R61-D97 WeakPolarHBondContact CB-OD2 3.09Å; R61-D97 WeakPolarHBondContact CG-OD2 3.37Å; R61-D97 IonicContact CZ-OD1 2.99Å; R61-D97 PolarHBondContact N-O 3.01Å; R61-D97 IonicContact NE-OD1 2.68Å; R61-D97 IonicContact NE-OD2 2.66Å; R61-D97 IonicContact NH2-OD1 3.66Å; R61-D97 PolarHBondContact NH2-OD1 3.26Å
98	F	98.1	Very high	98.1	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	145.3	-178.4	-54.4	-56.3	0	0	0	111.2	V58 T60 I87 A90 V91 Y95 F125 W129	V58-F98 HydrophobicContact CG1-CE1 4.43Å; V58-F98 HydrophobicContact CG2-CB 4.11Å; V58-F98 HydrophobicContact CG2-CD1 3.56Å; V58-F98 HydrophobicContact CG2-CE1 4.19Å; V58-F98 HydrophobicContact CG2-CG 3.9Å; T60-F98 HydrophobicContact CG2-CD1 3.8Å; T60-F98 HydrophobicContact CG2-CE1 3.88Å; I87-F98 HydrophobicContact CG2-CE2 4.11Å; I87-F98 HydrophobicContact CG2-CZ 4.4Å; A90-F98 HydrophobicContact CB-CE1 3.66Å; A90-F98 HydrophobicContact CB-CZ 3.93Å; V91-F98 HydrophobicContact CG2-CE2 4.41Å; V91-F98 HydrophobicContact CG2-CZ 4.07Å; Y95-F98 WeakPolarHBondContact O-CZ 3.25Å; F98-F125 HydrophobicContact CD2-CB 3.62Å; F98-F125 HydrophobicContact CD2-CD2 4.42Å; F98-F125 AromaticContact CD2-CG 3.96Å; F98-F125 HydrophobicContact CD2-CG 3.96Å; F98-F125 HydrophobicContact CE2-CB 3.81Å; F98-F125 AromaticContact CE2-CD1 3.95Å; F98-F125 HydrophobicContact CE2-CD1 3.95Å; F98-F125 AromaticContact CE2-CD2 3.93Å; F98-F125 HydrophobicContact CE2-CD2 3.93Å; F98-F125 AromaticContact CE2-CG 3.6Å; F98-F125 HydrophobicContact CE2-CG 3.6Å; F98-W129 HydrophobicContact CB-CD2 4.02Å; F98-W129 HydrophobicContact CB-CE3 3.69Å; F98-W129 HydrophobicContact CB-CH2 4Å; F98-W129 HydrophobicContact CB-CZ2 4.3Å; F98-W129 HydrophobicContact CB-CZ3 3.67Å; F98-W129 HydrophobicContact CD2-CH2 4.21Å; F98-W129 HydrophobicContact CD2-CZ2 4.32Å; F98-W129 HydrophobicContact CG-CH2 4.31Å; F98-W129 HydrophobicContact CG-CZ3 4.35Å
99	I	98	Very high	97.8	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-27.3	-178.3	69.7	171.8	0	0	0	112.9	L26 K59 R61 D130	L26-I99 HydrophobicContact CD1-CD1 3.75Å; L26-I99 HydrophobicContact CD1-CG1 3.99Å; K59-I99 HydrophobicContact CB-CG1 4.08Å; K59-I99 HydrophobicContact CD-CD1 3.87Å; K59-I99 HydrophobicContact CD-CG1 4.22Å; K59-I99 HydrophobicContact CG-CD1 3.97Å; K59-I99 HydrophobicContact CG-CG1 3.96Å; K59-I99 PolarHBondContact O-N 3.35Å; R61-I99 HydrophobicContact CB-CG2 3.96Å; R61-I99 VanDerWaalsContact NH1-CG2 3.3Å; I99-D130 PolarHBondContact O-N 3.36Å; I99-D130 VanDerWaalsContact O-N 3.1Å
100	A	98.6	Very high	97.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	150.2	178.5	0	0	0	0	0	111.6	L26 L34 V58 K59 D130 Y132	L26-A100 HydrophobicContact CD1-CB 3.79Å; L26-A100 HydrophobicContact CD2-CB 3.76Å; L26-A100 HydrophobicContact CG-CB 4.46Å; L34-A100 HydrophobicContact CD2-CB 3.66Å; V58-A100 CarbonylContact C-O 3.58Å; V58-A100 WeakPolarHBondContact CA-O 3.32Å; V58-A100 WeakPolarHBondContact CG2-O 3.23Å; K59-A100 HydrophobicContact CB-CB 4.48Å; K59-A100 PolarHBondContact N-O 2.85Å; K59-A100 PolarHBondContact O-N 3.13Å; A100-D130 CarbonylContact C-O 3.52Å; A100-D130 WeakPolarHBondContact CA-O 3.2Å; A100-D130 HydrophobicContact CB-CB 4.35Å; A100-Y132 HydrophobicContact CB-CD2 4.41Å; A100-Y132 HydrophobicContact CB-CE2 3.84Å
101	I	98.9	Very high	97.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.3	164.3	-177.5	165.8	0	0	0	110.2	A56 A57 V58 E83 V86 I103 M122 W129 D130 V131 Y132	A56-I101 HydrophobicContact CB-CD1 4.27Å; A57-I101 CarbonylContact O-C 3.6Å; A57-I101 VanDerWaalsContact O-CA 3.26Å; A57-I101 WeakPolarHBondContact O-CA 3.16Å; A57-I101 WeakPolarHBondContact O-CG1 3.46Å; V58-I101 HydrophobicContact CB-CB 4.31Å; V58-I101 HydrophobicContact CB-CD1 4.32Å; V58-I101 HydrophobicContact CB-CG1 4.29Å; V58-I101 HydrophobicContact CG2-CB 4.22Å; E83-I101 HydrophobicContact CB-CD1 4.08Å; E83-I101 HydrophobicContact CG-CD1 4.37Å; V86-I101 HydrophobicContact CG1-CD1 3.89Å; I101-I103 HydrophobicContact CG1-CG1 4.41Å; I101-M122 HydrophobicContact CD1-CE 4.21Å; I101-M122 HydrophobicContact CG2-CE 4.26Å; I101-W129 HydrophobicContact CB-CH2 4.43Å; I101-W129 HydrophobicContact CB-CZ3 3.74Å; I101-W129 HydrophobicContact CG2-CE3 4.21Å; I101-W129 HydrophobicContact CG2-CH2 4.04Å; I101-W129 HydrophobicContact CG2-CZ3 3.53Å; I101-D130 PolarHBondContact N-O 3.16Å; I101-V131 HydrophobicContact CG2-CB 4.31Å; I101-V131 HydrophobicContact CG2-CG1 4.11Å; I101-V131 HydrophobicContact CG2-CG2 3.95Å; I101-V131 CarbonylContact O-C 3.44Å; I101-V131 WeakPolarHBondContact O-CA 3.18Å; I101-Y132 PolarHBondContact O-N 2.9Å
102	A	98.9	Very high	97.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.3	169.4	0	0	0	0	0	110.4	L34 I35 S38 A56 A57 Y132	L34-A102 HydrophobicContact CB-CB 4.45Å; L34-A102 HydrophobicContact CD2-CB 4.19Å; L34-A102 HydrophobicContact CG-CB 3.86Å; I35-A102 HydrophobicContact CG1-CB 4.03Å; S38-A102 VanDerWaalsContact CB-O 3.29Å; S38-A102 WeakPolarHBondContact CB-O 3.34Å; A56-A102 CarbonylContact C-O 3.44Å; A56-A102 VanDerWaalsContact CA-O 3.23Å; A56-A102 WeakPolarHBondContact CA-O 3.37Å; A57-A102 PolarHBondContact N-O 2.88Å; A57-A102 PolarHBondContact O-N 3.22Å; A102-Y132 WeakPolarHBondContact CA-O 3.31Å
103	I	98.9	Very high	97.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.1	-177.4	-49.1	168.1	0	0	0	108.3	V54 G55 E83 I101 I112 P114 M122 V131 Y132 L133 T134	V54-I103 HydrophobicContact CG1-CG2 3.83Å; G55-I103 WeakPolarHBondContact O-CA 3.34Å; E83-I103 HydrophobicContact CG-CD1 3.73Å; E83-I103 HydrophobicContact CG-CG1 3.96Å; E83-I103 HydrophobicContact CG-CG2 4.45Å; I101-I103 HydrophobicContact CG1-CG1 4.41Å; I103-I112 HydrophobicContact CB-CG2 4.01Å; I103-I112 HydrophobicContact CG2-CB 4.47Å; I103-I112 HydrophobicContact CG2-CG1 3.82Å; I103-I112 HydrophobicContact CG2-CG2 3.75Å; I103-I112 WeakPolarHBondContact O-CG2 3.36Å; I103-P114 HydrophobicContact CD1-CB 3.8Å; I103-P114 HydrophobicContact CD1-CG 3.98Å; I103-M122 HydrophobicContact CD1-CE 4.24Å; I103-V131 HydrophobicContact CD1-CG1 3.99Å; I103-Y132 PolarHBondContact N-O 3.3Å; I103-L133 HydrophobicContact CD1-CD2 4.44Å; I103-T134 WeakPolarHBondContact O-CB 3.37Å; I103-T134 WeakPolarHBondContact O-CG2 3.37Å; I103-T134 PolarHBondContact O-N 3.03Å; I103-T134 PolarHBondContact O-OG1 3.15Å
104	A	98.8	Very high	97.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.7	-179.3	0	0	0	0	0	111.1	S38 H39 V54 G55 T134	S38-A104 WeakPolarHBondContact OG-CB 3.45Å; H39-A104 HydrophobicContact CB-CB 4.44Å; H39-A104 WeakPolarHBondContact CD2-CB 3.36Å; V54-A104 CarbonylContact C-O 3.54Å; V54-A104 VanDerWaalsContact CA-O 3.25Å; V54-A104 WeakPolarHBondContact CA-O 3.25Å; V54-A104 WeakPolarHBondContact CG1-O 3.21Å; G55-A104 PolarHBondContact N-O 3.28Å; G55-A104 PolarHBondContact O-N 3.24Å; A104-T134 WeakPolarHBondContact CA-OG1 3.28Å
105	S	98.6	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	-175.1	174	77.5	0	0	0	0	111.5	K42 R53 M107	K42-S105 PolarHBondContact NZ-O 3.42Å; R53-S105 WeakPolarHBondContact O-CA 3.39Å; S105-M107 VanDerWaalsContact C-N 3.35Å; S105-M107 WeakPolarHBondContact OG-CB 3.46Å; S105-M107 PolarHBondContact OG-N 3.47Å; S105-M107 VanDerWaalsContact OG-N 3.08Å
106	D	97.9	Very high	97.6	Very high	54 Å²	54	44 Å²	44	29%	0.289	24%	0.241	S	C	.	.	S	Bend	trans	-90.1	8.7	170.5	-69.1	-33.7	0	0	0	113.1	K42 R53 E108	K42-D106 VanDerWaalsContact CE-OD1 3.28Å; K42-D106 WeakPolarHBondContact CE-OD1 3.47Å; K42-D106 IonicContact NZ-OD1 2.68Å; K42-D106 PolarHBondContact NZ-OD1 2.75Å; R53-D106 IonicContact CZ-OD1 3.75Å; R53-D106 IonicContact CZ-OD2 3.4Å; R53-D106 IonicContact NE-OD1 3.82Å; R53-D106 IonicContact NE-OD2 2.79Å; R53-D106 PolarHBondContact NE-OD2 3.02Å; R53-D106 IonicContact NH2-OD1 2.89Å; R53-D106 PolarHBondContact NH2-OD1 3.39Å; R53-D106 IonicContact NH2-OD2 3.13Å; R53-D106 PolarHBondContact NH2-OD2 3.16Å; R53-D106 VanDerWaalsContact NH2-OD2 3.13Å; D106-E108 PolarHBondContact O-N 3.12Å
107	M	96.3	Very high	97.7	Very high	53 Å²	53	40.2 Å²	40.2	26%	0.261	23%	0.234	S	C	.	.			trans	-73.8	121.1	175.1	-63.9	-173.1	-62.6	0	0	111.4	F52 S105 E110 I112	F52-M107 HydrophobicContact CE2-CG 3.57Å; F52-M107 HydrophobicContact CE2-SD 4.11Å; F52-M107 HydrophobicContact CZ-CE 4.07Å; F52-M107 HydrophobicContact CZ-CG 3.7Å; F52-M107 HydrophobicContact CZ-SD 3.86Å; S105-M107 VanDerWaalsContact C-N 3.35Å; S105-M107 WeakPolarHBondContact OG-CB 3.46Å; S105-M107 PolarHBondContact OG-N 3.47Å; S105-M107 VanDerWaalsContact OG-N 3.08Å; M107-E110 HydrophobicContact SD-CB 4.49Å; M107-I112 VanDerWaalsContact CE-CA 3.46Å; M107-I112 HydrophobicContact CE-CB 3.72Å; M107-I112 HydrophobicContact CE-CD1 3.55Å; M107-I112 HydrophobicContact CE-CG1 4.22Å
108	E	92.9	Very high	97.7	Very high	151 Å²	151	36.1 Å²	36.1	71%	0.706	21%	0.213	S	C	*	.	S	Bend	trans	-80.2	-44.9	-177.4	-64.8	-177.2	177.7	0	0	112.8	D106 T136	D106-E108 PolarHBondContact O-N 3.12Å; E108-T136 HydrophobicContact CG-CG2 4.36Å
109	T	93	Very high	97.7	Very high	97 Å²	97	39 Å²	39	60%	0.595	22%	0.223	S	C	*	.	S	Bend	trans	-92.4	-33.1	-171.6	60.6	0	0	0	0	113.2	K135	T109-K135 WeakPolarHBondContact O-CE 3.37Å; T109-K135 PolarHBondContact O-NZ 3.32Å
110	E	96.8	Very high	97.8	Very high	118 Å²	118	41.5 Å²	41.5	55%	0.551	24%	0.235	S	C	*	.	S	Bend	trans	-104.9	150	-172.7	-58.2	-50.6	133.4	0	0	112.5	M107	M107-E110 HydrophobicContact SD-CB 4.49Å
111	L	97.8	Very high	97.8	Very high	45 Å²	45	43.9 Å²	43.9	24%	0.236	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-73.6	136.2	171.3	-64.6	162.9	0	0	0	110	S113 L133 K135 E141	L111-S113 PolarHBondContact O-N 2.83Å; L111-L133 HydrophobicContact CB-CB 4.05Å; L111-L133 HydrophobicContact CD2-CB 4.43Å; L111-L133 VanDerWaalsContact CD2-O 3.25Å; L111-L133 WeakPolarHBondContact CD2-O 3.25Å; L111-K135 HydrophobicContact CD2-CG 3.73Å; L111-K135 HydrophobicContact CG-CG 4.3Å; L111-E141 HydrophobicContact CD1-CB 3.57Å; L111-E141 VanDerWaalsContact CD1-OE2 3.25Å; L111-E141 WeakPolarHBondContact CD1-OE2 3.43Å; L111-E141 HydrophobicContact CD2-CB 4.44Å
112	I	98.1	Very high	97.8	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.087	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-73.1	116.1	171	-178.8	63.7	0	0	0	110.7	F52 I103 M107 L133 T134	F52-I112 HydrophobicContact CE1-CD1 4.13Å; F52-I112 HydrophobicContact CZ-CD1 4.25Å; I103-I112 HydrophobicContact CB-CG2 4.01Å; I103-I112 HydrophobicContact CG2-CB 4.47Å; I103-I112 HydrophobicContact CG2-CG1 3.82Å; I103-I112 HydrophobicContact CG2-CG2 3.75Å; I103-I112 WeakPolarHBondContact O-CG2 3.36Å; M107-I112 VanDerWaalsContact CE-CA 3.46Å; M107-I112 HydrophobicContact CE-CB 3.72Å; M107-I112 HydrophobicContact CE-CD1 3.55Å; M107-I112 HydrophobicContact CE-CG1 4.22Å; I112-L133 WeakPolarHBondContact O-CB 3.45Å; I112-L133 WeakPolarHBondContact O-CD2 3.19Å; I112-T134 WeakPolarHBondContact CG2-O 3.36Å; I112-T134 PolarHBondContact N-O 3.32Å
113	S	97.9	Very high	97.7	Very high	51 Å²	51	45.6 Å²	45.6	36%	0.357	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-97	136.4	174.5	-166.5	0	0	0	0	111.1	L111 R119	L111-S113 PolarHBondContact O-N 2.83Å; S113-R119 PolarHBondContact OG-NH2 2.86Å
114	P	98.4	Very high	97.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-64.4	140.6	174.4	26.2	-33.2	0	0	0	110.4	E83 I103 C118 R119 M122 V131 L133 L148	E83-P114 VanDerWaalsContact OE1-CA 3.29Å; E83-P114 WeakPolarHBondContact OE1-CA 3.49Å; E83-P114 VanDerWaalsContact OE1-CB 3.3Å; E83-P114 WeakPolarHBondContact OE1-CB 3.42Å; I103-P114 HydrophobicContact CD1-CB 3.8Å; I103-P114 HydrophobicContact CD1-CG 3.98Å; P114-C118 HydrophobicContact CB-CB 3.99Å; P114-R119 HydrophobicContact CB-CG 4.18Å; P114-R119 HydrophobicContact CG-CG 3.94Å; P114-R119 PolarHBondContact O-NE 2.91Å; P114-R119 PolarHBondContact O-NH2 2.97Å; P114-M122 HydrophobicContact CB-CE 3.91Å; P114-M122 HydrophobicContact CG-CE 4.36Å; P114-V131 HydrophobicContact CG-CG1 4.46Å; P114-L133 VanDerWaalsContact CD-CD2 3.49Å; P114-L133 HydrophobicContact CG-CD2 4.48Å; P114-L148 HydrophobicContact CG-CD1 3.97Å
115	C	98.4	Very high	97.6	Very high	55 Å²	55	53.6 Å²	53.6	37%	0.372	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-69.4	163.3	176.5	79	0	0	0	0	111.3	A117 C118 R119	C115-A117 PolarHBondContact O-N 2.92Å; C115-A117 VanDerWaalsContact O-N 3.16Å; C115-C118 WeakPolarHBondContact O-CB 3.33Å; C115-C118 PolarHBondContact O-N 3.22Å; C115-R119 WeakPolarHBondContact O-CG 3.39Å; C115-R119 PolarHBondContact O-N 3.28Å
116	G	98.4	Very high	97.4	Very high	48 Å²	48	55 Å²	55	50%	0.495	31%	0.307	S	S	.	.	H	α-helix	trans	-54.7	-37.6	-177.8	0	0	0	0	0	114	R119 Q120	G116-R119 PolarHBondContact O-N 2.92Å; G116-Q120 WeakPolarHBondContact O-CB 3.48Å; G116-Q120 PolarHBondContact O-N 3.33Å
117	A	98.5	Very high	97.1	Very high	52 Å²	52	54.5 Å²	54.5	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-39.8	176.7	0	0	0	0	0	112.5	C115 Q120 V121	C115-A117 PolarHBondContact O-N 2.92Å; C115-A117 VanDerWaalsContact O-N 3.16Å; A117-Q120 PolarHBondContact O-N 2.91Å; A117-V121 WeakPolarHBondContact O-CG2 3.4Å; A117-V121 PolarHBondContact O-N 3.39Å
118	C	98.8	Very high	97	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-44.3	175.3	-66.7	0	0	0	0	111.3	C81 E83 P114 C115 Q120 V121 M122	C81-C118 WeakPolarHBondContact CB-SG 3.48Å; E83-C118 HydrophobicContact CB-CB 4.03Å; E83-C118 HydrophobicContact CG-CB 4.27Å; E83-C118 WeakPolarHBondContact OE1-CB 3.43Å; E83-C118 PolarHBondContact OE1-SG 2.89Å; P114-C118 HydrophobicContact CB-CB 3.99Å; C115-C118 WeakPolarHBondContact O-CB 3.33Å; C115-C118 PolarHBondContact O-N 3.22Å; C118-Q120 VanDerWaalsContact C-N 3.28Å; C118-Q120 PolarHBondContact O-N 3Å; C118-V121 PolarHBondContact O-N 3.32Å; C118-M122 HydrophobicContact CB-CE 4.28Å; C118-M122 VanDerWaalsContact O-CG 3.27Å; C118-M122 WeakPolarHBondContact O-CG 3.38Å; C118-M122 PolarHBondContact O-N 3.34Å
119	R	98.7	Very high	97.1	Very high	64 Å²	64	50.8 Å²	50.8	24%	0.242	29%	0.293	C	S	.	.	H	α-helix	trans	-58.1	-42.4	175.9	-61.8	176.1	-168.1	-166.6	4	111.6	S113 P114 C115 G116 M122 R123 L148 L149	S113-R119 PolarHBondContact OG-NH2 2.86Å; P114-R119 HydrophobicContact CB-CG 4.18Å; P114-R119 HydrophobicContact CG-CG 3.94Å; P114-R119 PolarHBondContact O-NE 2.91Å; P114-R119 PolarHBondContact O-NH2 2.97Å; C115-R119 WeakPolarHBondContact O-CG 3.39Å; C115-R119 PolarHBondContact O-N 3.28Å; G116-R119 PolarHBondContact O-N 2.92Å; R119-M122 WeakPolarHBondContact O-CB 3.19Å; R119-M122 PolarHBondContact O-N 2.93Å; R119-R123 WeakPolarHBondContact O-CB 3.21Å; R119-R123 PolarHBondContact O-N 3.42Å; R119-L148 VanDerWaalsContact CD-O 3.31Å; R119-L148 WeakPolarHBondContact CD-O 3.29Å; R119-L148 HydrophobicContact CG-CB 4.35Å; R119-L148 PolarHBondContact NH1-O 3.08Å; R119-L149 HydrophobicContact CB-CB 4.2Å; R119-L149 HydrophobicContact CB-CD1 4.28Å; R119-L149 HydrophobicContact CB-CD2 4.28Å; R119-L149 HydrophobicContact CB-CG 4.5Å
120	Q	98.7	Very high	97.4	Very high	66 Å²	66	46.9 Å²	46.9	31%	0.308	27%	0.268	S	S	.	.	H	α-helix	trans	-66.1	-39.7	177.9	-170	62.4	60.4	0	0	112.4	G116 A117 C118 R123 E124 L149 F153	G116-Q120 WeakPolarHBondContact O-CB 3.48Å; G116-Q120 PolarHBondContact O-N 3.33Å; A117-Q120 PolarHBondContact O-N 2.91Å; C118-Q120 VanDerWaalsContact C-N 3.28Å; C118-Q120 PolarHBondContact O-N 3Å; Q120-R123 PolarHBondContact O-N 3.11Å; Q120-E124 PolarHBondContact O-N 3.19Å; Q120-L149 HydrophobicContact CB-CD2 4.48Å; Q120-F153 PolarHBondContact NE2-O 3.11Å
121	V	98.6	Very high	97.5	Very high	50 Å²	50	41.3 Å²	41.3	30%	0.303	24%	0.242	S	C	.	.	H	α-helix	trans	-66.2	-40.5	174.1	170	0	0	0	0	111.2	R84 I87 A117 C118 R123 E124 F125	R84-V121 HydrophobicContact CG-CB 4.32Å; R84-V121 HydrophobicContact CG-CG1 4.49Å; R84-V121 HydrophobicContact CG-CG2 4.07Å; I87-V121 HydrophobicContact CB-CG1 4.44Å; I87-V121 HydrophobicContact CD1-CG1 4.07Å; I87-V121 HydrophobicContact CG2-CG1 4Å; A117-V121 WeakPolarHBondContact O-CG2 3.4Å; A117-V121 PolarHBondContact O-N 3.39Å; C118-V121 PolarHBondContact O-N 3.32Å; V121-R123 VanDerWaalsContact C-N 3.32Å; V121-R123 PolarHBondContact O-N 2.81Å; V121-E124 WeakPolarHBondContact O-CB 3.5Å; V121-E124 PolarHBondContact O-N 2.9Å; V121-F125 HydrophobicContact CG1-CE2 4.37Å; V121-F125 VanDerWaalsContact O-CD2 3.24Å; V121-F125 WeakPolarHBondContact O-CD2 3.47Å
122	M	98.6	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-44.6	174.4	-69.1	167.6	-169.1	0	0	111.4	E83 I87 I101 I103 P114 C118 R119 E124 F125 W129 V131 V145	E83-M122 HydrophobicContact CB-CE 3.64Å; E83-M122 HydrophobicContact CG-CE 3.72Å; I87-M122 HydrophobicContact CD1-CG 3.76Å; I101-M122 HydrophobicContact CD1-CE 4.21Å; I101-M122 HydrophobicContact CG2-CE 4.26Å; I103-M122 HydrophobicContact CD1-CE 4.24Å; P114-M122 HydrophobicContact CB-CE 3.91Å; P114-M122 HydrophobicContact CG-CE 4.36Å; C118-M122 HydrophobicContact CB-CE 4.28Å; C118-M122 VanDerWaalsContact O-CG 3.27Å; C118-M122 WeakPolarHBondContact O-CG 3.38Å; C118-M122 PolarHBondContact O-N 3.34Å; R119-M122 WeakPolarHBondContact O-CB 3.19Å; R119-M122 PolarHBondContact O-N 2.93Å; M122-E124 PolarHBondContact O-N 2.83Å; M122-F125 PolarHBondContact O-N 2.87Å; M122-W129 HydrophobicContact CB-CH2 4.2Å; M122-W129 HydrophobicContact CB-CZ2 3.54Å; M122-W129 HydrophobicContact CG-CH2 3.94Å; M122-W129 HydrophobicContact CG-CZ2 3.81Å; M122-V131 HydrophobicContact SD-CG2 4.3Å; M122-V145 HydrophobicContact CB-CG1 3.97Å; M122-V145 HydrophobicContact CB-CG2 3.9Å; M122-V145 HydrophobicContact SD-CG2 4.32Å
123	R	98.1	Very high	97.6	Very high	35 Å²	35	39 Å²	39	13%	0.132	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-28.6	-179.5	-175.2	-92.5	-174.5	-112.8	8.7	113.7	R119 Q120 V121 F125 G126 V145 L149 S152 F153 D156	R119-R123 WeakPolarHBondContact O-CB 3.21Å; R119-R123 PolarHBondContact O-N 3.42Å; Q120-R123 PolarHBondContact O-N 3.11Å; V121-R123 VanDerWaalsContact C-N 3.32Å; V121-R123 PolarHBondContact O-N 2.81Å; R123-F125 PolarHBondContact O-N 3.25Å; R123-G126 PolarHBondContact O-N 3Å; R123-G126 VanDerWaalsContact O-N 3.16Å; R123-V145 HydrophobicContact CB-CG1 4.12Å; R123-L149 HydrophobicContact CB-CD2 4.2Å; R123-L149 HydrophobicContact CG-CD2 4.49Å; R123-S152 WeakPolarHBondContact CG-OG 3.32Å; R123-S152 PolarHBondContact NE-OG 3.43Å; R123-F153 VanDerWaalsContact CD-O 3.24Å; R123-F153 WeakPolarHBondContact CD-O 3.38Å; R123-F153 PolarHBondContact NE-O 2.9Å; R123-D156 IonicContact NH1-OD2 3.85Å; R123-D156 IonicContact NH2-OD2 3.51Å; R123-D156 PolarHBondContact NH2-OD2 3.05Å
124	E	98.1	Very high	97.6	Very high	112 Å²	112	36.5 Å²	36.5	52%	0.523	21%	0.213	S	C	.	.	H	α-helix	trans	-58.9	-30.7	174.4	-175.7	59.7	-162.9	0	0	112	Q120 V121 M122	Q120-E124 PolarHBondContact O-N 3.19Å; V121-E124 WeakPolarHBondContact O-CB 3.5Å; V121-E124 PolarHBondContact O-N 2.9Å; M122-E124 PolarHBondContact O-N 2.83Å
125	F	97.1	Very high	97.6	Very high	57 Å²	57	39.2 Å²	39.2	25%	0.25	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	17.9	-179.4	-56.3	-78.7	0	0	0	113.1	I87 V91 K96 F98 V121 M122 R123	I87-F125 HydrophobicContact CG2-CD2 3.85Å; I87-F125 HydrophobicContact CG2-CE2 3.47Å; I87-F125 VanDerWaalsContact CG2-CE2 3.47Å; I87-F125 HydrophobicContact CG2-CZ 4.22Å; V91-F125 HydrophobicContact CG2-CD1 4.44Å; V91-F125 HydrophobicContact CG2-CE1 3.6Å; V91-F125 HydrophobicContact CG2-CE2 4.24Å; V91-F125 HydrophobicContact CG2-CZ 3.49Å; V91-F125 VanDerWaalsContact CG2-CZ 3.49Å; K96-F125 HydrophobicContact CB-CD1 4.18Å; K96-F125 HydrophobicContact CB-CE1 4.45Å; K96-F125 HydrophobicContact CG-CE1 4.33Å; F98-F125 HydrophobicContact CD2-CB 3.62Å; F98-F125 HydrophobicContact CD2-CD2 4.42Å; F98-F125 AromaticContact CD2-CG 3.96Å; F98-F125 HydrophobicContact CD2-CG 3.96Å; F98-F125 HydrophobicContact CE2-CB 3.81Å; F98-F125 AromaticContact CE2-CD1 3.95Å; F98-F125 HydrophobicContact CE2-CD1 3.95Å; F98-F125 AromaticContact CE2-CD2 3.93Å; F98-F125 HydrophobicContact CE2-CD2 3.93Å; F98-F125 AromaticContact CE2-CG 3.6Å; F98-F125 HydrophobicContact CE2-CG 3.6Å; V121-F125 HydrophobicContact CG1-CE2 4.37Å; V121-F125 VanDerWaalsContact O-CD2 3.24Å; V121-F125 WeakPolarHBondContact O-CD2 3.47Å; M122-F125 PolarHBondContact O-N 2.87Å; R123-F125 PolarHBondContact O-N 3.25Å
126	G	94.8	Very high	97.5	Very high	30 Å²	30	39.2 Å²	39.2	31%	0.309	22%	0.222	S	C	.	.			trans	111.4	162.6	179.4	0	0	0	0	0	113.2	R123 W129	R123-G126 PolarHBondContact O-N 3Å; R123-G126 VanDerWaalsContact O-N 3.16Å; G126-W129 VanDerWaalsContact O-CD1 3.32Å; G126-W129 PolarHBondContact O-NE1 3.12Å
127	C	92	Very high	97.4	Very high	42 Å²	42	42.1 Å²	42.1	28%	0.284	23%	0.227	S	C	.	.	S	Bend	trans	-106.2	-19.2	-178	55.3	0	0	0	0	113.8	W129 V145 D146	C127-W129 PolarHBondContact O-N 3.45Å; C127-V145 PolarHBondContact O-N 2.94Å; C127-D146 HydrophobicContact CB-CB 4.12Å; C127-D146 PolarHBondContact O-N 3.09Å
128	N	93.5	Very high	97.4	Very high	122 Å²	122	44.4 Å²	44.4	65%	0.652	23%	0.227	S	C	*	.	S	Bend	trans	-101.5	58.2	-170.8	-66.8	-22	0	0	0	112.6
129	W	95.9	Very high	97.3	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.019	24%	0.242	C	C	.	.	S	Bend	trans	-143.6	154.7	174.7	59.1	-67.5	0	0	0	111.1	V58 I87 F98 I101 M122 G126 C127 T144 V145	V58-W129 HydrophobicContact CG2-CH2 4.36Å; V58-W129 HydrophobicContact CG2-CZ3 3.87Å; I87-W129 HydrophobicContact CD1-CH2 4.32Å; F98-W129 HydrophobicContact CB-CD2 4.02Å; F98-W129 HydrophobicContact CB-CE3 3.69Å; F98-W129 HydrophobicContact CB-CH2 4Å; F98-W129 HydrophobicContact CB-CZ2 4.3Å; F98-W129 HydrophobicContact CB-CZ3 3.67Å; F98-W129 HydrophobicContact CD2-CH2 4.21Å; F98-W129 HydrophobicContact CD2-CZ2 4.32Å; F98-W129 HydrophobicContact CG-CH2 4.31Å; F98-W129 HydrophobicContact CG-CZ3 4.35Å; I101-W129 HydrophobicContact CB-CH2 4.43Å; I101-W129 HydrophobicContact CB-CZ3 3.74Å; I101-W129 HydrophobicContact CG2-CE3 4.21Å; I101-W129 HydrophobicContact CG2-CH2 4.04Å; I101-W129 HydrophobicContact CG2-CZ3 3.53Å; M122-W129 HydrophobicContact CB-CH2 4.2Å; M122-W129 HydrophobicContact CB-CZ2 3.54Å; M122-W129 HydrophobicContact CG-CH2 3.94Å; M122-W129 HydrophobicContact CG-CZ2 3.81Å; G126-W129 VanDerWaalsContact O-CD1 3.32Å; G126-W129 PolarHBondContact O-NE1 3.12Å; C127-W129 PolarHBondContact O-N 3.45Å; W129-T144 WeakPolarHBondContact O-CA 3.41Å; W129-V145 HydrophobicContact CD2-CG2 4.03Å; W129-V145 HydrophobicContact CG-CG2 4.18Å; W129-V145 HydrophobicContact CZ2-CG2 4.13Å; W129-V145 PolarHBondContact O-N 3.02Å
130	D	98.3	Very high	97.3	Very high	15 Å²	15	48.4 Å²	48.4	8%	0.08	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	141.8	-165.7	-73.5	-13.2	0	0	0	111.8	I99 A100 I101 Y132 K142 M143	I99-D130 PolarHBondContact O-N 3.36Å; I99-D130 VanDerWaalsContact O-N 3.1Å; A100-D130 CarbonylContact C-O 3.52Å; A100-D130 WeakPolarHBondContact CA-O 3.2Å; A100-D130 HydrophobicContact CB-CB 4.35Å; I101-D130 PolarHBondContact N-O 3.16Å; D130-Y132 HydrophobicContact CB-CE2 3.82Å; D130-K142 HydrophobicContact CB-CD 4.28Å; D130-K142 HydrophobicContact CB-CG 4.28Å; D130-K142 IonicContact OD1-NZ 3.43Å; D130-K142 WeakPolarHBondContact OD2-CD 3.1Å; D130-K142 IonicContact OD2-NZ 3.93Å; D130-K142 PolarHBondContact OD2-NZ 3.29Å; D130-M143 CarbonylContact C-O 3.55Å; D130-M143 WeakPolarHBondContact CA-O 3.45Å
131	V	98.7	Very high	97.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.9	175.3	-173.8	0	0	0	0	107.7	I101 I103 P114 M122 L133 M143 V145 L148	I101-V131 HydrophobicContact CG2-CB 4.31Å; I101-V131 HydrophobicContact CG2-CG1 4.11Å; I101-V131 HydrophobicContact CG2-CG2 3.95Å; I101-V131 CarbonylContact O-C 3.44Å; I101-V131 WeakPolarHBondContact O-CA 3.18Å; I103-V131 HydrophobicContact CD1-CG1 3.99Å; P114-V131 HydrophobicContact CG-CG1 4.46Å; M122-V131 HydrophobicContact SD-CG2 4.3Å; V131-L133 HydrophobicContact CG1-CD2 3.7Å; V131-M143 PolarHBondContact N-O 3.08Å; V131-M143 PolarHBondContact O-N 3.26Å; V131-V145 HydrophobicContact CG2-CG2 3.71Å; V131-L148 HydrophobicContact CB-CD1 3.73Å; V131-L148 HydrophobicContact CG1-CD1 3.74Å; V131-L148 HydrophobicContact CG2-CD1 3.8Å
132	Y	98.8	Very high	97.3	Very high	6 Å²	6	51.4 Å²	51.4	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	108	177.8	-60.8	-89.2	0	0	0	109.3	L26 V31 L34 A100 I101 A102 I103 D130 Y140 K142	L26-Y132 HydrophobicContact CD2-CE2 4.44Å; V31-Y132 HydrophobicContact CB-CE1 4.34Å; V31-Y132 HydrophobicContact CG1-CD1 3.77Å; V31-Y132 HydrophobicContact CG1-CE1 3.48Å; V31-Y132 VanDerWaalsContact CG1-CE1 3.48Å; V31-Y132 HydrophobicContact CG1-CG 4.45Å; V31-Y132 HydrophobicContact CG2-CE1 3.86Å; V31-Y132 HydrophobicContact CG2-CE2 4.46Å; V31-Y132 VanDerWaalsContact CG2-OH 3.26Å; V31-Y132 WeakPolarHBondContact CG2-OH 3.26Å; L34-Y132 HydrophobicContact CD2-CD2 4.36Å; A100-Y132 HydrophobicContact CB-CD2 4.41Å; A100-Y132 HydrophobicContact CB-CE2 3.84Å; I101-Y132 PolarHBondContact O-N 2.9Å; A102-Y132 WeakPolarHBondContact CA-O 3.31Å; I103-Y132 PolarHBondContact N-O 3.3Å; D130-Y132 HydrophobicContact CB-CE2 3.82Å; Y132-Y140 AromaticContact CD1-CD2 3.63Å; Y132-Y140 HydrophobicContact CD1-CD2 3.63Å; Y132-Y140 AromaticContact CD1-CE2 3.71Å; Y132-Y140 HydrophobicContact CD1-CE2 3.71Å; Y132-Y140 HydrophobicContact CD1-CG 4.37Å; Y132-Y140 HydrophobicContact CE1-CD2 4.27Å; Y132-Y140 AromaticContact CE1-CE2 3.88Å; Y132-Y140 HydrophobicContact CE1-CE2 3.88Å; Y132-K142 HydrophobicContact CD1-CB 4.15Å; Y132-K142 HydrophobicContact CD1-CD 4.49Å; Y132-K142 HydrophobicContact CD1-CG 4.06Å; Y132-K142 HydrophobicContact CE1-CB 4.05Å; Y132-K142 HydrophobicContact CE1-CD 3.63Å; Y132-K142 HydrophobicContact CE1-CG 3.68Å
133	L	98.7	Very high	97.3	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.2	174.4	-45.2	-176	0	0	0	106.9	I103 L111 I112 P114 V131 Y140 E141 M143	I103-L133 HydrophobicContact CD1-CD2 4.44Å; L111-L133 HydrophobicContact CB-CB 4.05Å; L111-L133 HydrophobicContact CD2-CB 4.43Å; L111-L133 VanDerWaalsContact CD2-O 3.25Å; L111-L133 WeakPolarHBondContact CD2-O 3.25Å; I112-L133 WeakPolarHBondContact O-CB 3.45Å; I112-L133 WeakPolarHBondContact O-CD2 3.19Å; P114-L133 VanDerWaalsContact CD-CD2 3.49Å; P114-L133 HydrophobicContact CG-CD2 4.48Å; V131-L133 HydrophobicContact CG1-CD2 3.7Å; L133-Y140 CarbonylContact O-C 3.59Å; L133-Y140 WeakPolarHBondContact O-CA 3.31Å; L133-Y140 VanDerWaalsContact O-CB 3.24Å; L133-Y140 WeakPolarHBondContact O-CB 3.31Å; L133-E141 PolarHBondContact N-O 3.02Å; L133-E141 PolarHBondContact O-N 3.1Å; L133-M143 HydrophobicContact CD1-CG 4.33Å; L133-M143 HydrophobicContact CD1-SD 3.87Å
134	T	98.5	Very high	97.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	159.8	-173.5	82.5	0	0	0	0	113.3	I35 H39 I103 A104 I112 S139	I35-T134 HydrophobicContact CB-CG2 4.45Å; I35-T134 HydrophobicContact CD1-CG2 4.12Å; I35-T134 HydrophobicContact CG1-CG2 3.85Å; I35-T134 HydrophobicContact CG2-CG2 3.96Å; H39-T134 PolarHBondContact NE2-OG1 2.61Å; H39-T134 VanDerWaalsContact NE2-OG1 3.12Å; I103-T134 WeakPolarHBondContact O-CB 3.37Å; I103-T134 WeakPolarHBondContact O-CG2 3.37Å; I103-T134 PolarHBondContact O-N 3.03Å; I103-T134 PolarHBondContact O-OG1 3.15Å; A104-T134 WeakPolarHBondContact CA-OG1 3.28Å; I112-T134 WeakPolarHBondContact CG2-O 3.36Å; I112-T134 PolarHBondContact N-O 3.32Å; T134-S139 CarbonylContact C-O 3.57Å; T134-S139 WeakPolarHBondContact CA-O 3.29Å
135	K	97.7	Very high	97.3	Very high	58 Å²	58	48.1 Å²	48.1	25%	0.252	25%	0.248	S	C	.	.			trans	-105	173.9	164.6	-54	-168.8	-171.9	-173.1	0	110.7	H39 T109 L111 D137 K138 S139	H39-K135 PolarHBondContact CE1-O 3.05Å; H39-K135 PolarHBondContact NE2-O 3.25Å; T109-K135 WeakPolarHBondContact O-CE 3.37Å; T109-K135 PolarHBondContact O-NZ 3.32Å; L111-K135 HydrophobicContact CD2-CG 3.73Å; L111-K135 HydrophobicContact CG-CG 4.3Å; K135-D137 VanDerWaalsContact C-N 3.27Å; K135-D137 WeakPolarHBondContact CB-OD1 3.45Å; K135-D137 PolarHBondContact O-N 2.76Å; K135-K138 PolarHBondContact O-N 3.28Å; K135-S139 PolarHBondContact N-O 2.94Å
136	T	97.3	Very high	97.3	Very high	54 Å²	54	49 Å²	49	33%	0.331	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.2	178.3	51.8	0	0	0	0	113.8	E108 K138	E108-T136 HydrophobicContact CG-CG2 4.36Å; T136-K138 PolarHBondContact O-N 2.9Å
137	D	96.9	Very high	97.4	Very high	110 Å²	110	53.1 Å²	53.1	59%	0.588	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	2.1	175.4	72.7	-6	0	0	0	114	K135 S139	K135-D137 VanDerWaalsContact C-N 3.27Å; K135-D137 WeakPolarHBondContact CB-OD1 3.45Å; K135-D137 PolarHBondContact O-N 2.76Å; D137-S139 PolarHBondContact O-N 3.12Å; D137-S139 WeakPolarHBondContact OD1-CB 3.49Å; D137-S139 PolarHBondContact OD1-N 2.8Å; D137-S139 PolarHBondContact OD1-OG 2.91Å
138	K	97.2	Very high	97.7	Very high	100 Å²	100	51.6 Å²	51.6	44%	0.435	26%	0.256	S	S	.	.	S	Bend	trans	69.4	6.8	-177.8	-48.7	174.9	-175.3	179.4	0	114.7	I35 N36 K135 T136	I35-K138 HydrophobicContact CG2-CB 3.95Å; I35-K138 HydrophobicContact CG2-CG 4.24Å; N36-K138 WeakPolarHBondContact OD1-CD 3.28Å; N36-K138 WeakPolarHBondContact OD1-CE 3.3Å; N36-K138 PolarHBondContact OD1-NZ 2.81Å; K135-K138 PolarHBondContact O-N 3.28Å; T136-K138 PolarHBondContact O-N 2.9Å
139	S	97.9	Very high	97.9	Very high	46 Å²	46	47.4 Å²	47.4	32%	0.322	23%	0.233	S	C	.	.			trans	-60.3	148.4	161.6	67.3	0	0	0	0	109.5	T134 K135 D137	T134-S139 CarbonylContact C-O 3.57Å; T134-S139 WeakPolarHBondContact CA-O 3.29Å; K135-S139 PolarHBondContact N-O 2.94Å; D137-S139 PolarHBondContact O-N 3.12Å; D137-S139 WeakPolarHBondContact OD1-CB 3.49Å; D137-S139 PolarHBondContact OD1-N 2.8Å; D137-S139 PolarHBondContact OD1-OG 2.91Å
140	Y	98.4	Very high	98	Very high	101 Å²	101	51.5 Å²	51.5	40%	0.396	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158.4	-172.7	66.8	-94.3	0	0	0	113	V31 I35 Y132 L133	V31-Y140 HydrophobicContact CG1-CE1 3.98Å; V31-Y140 HydrophobicContact CG1-CE2 4.22Å; I35-Y140 HydrophobicContact CD1-CD1 3.28Å; I35-Y140 HydrophobicContact CD1-CE1 3.79Å; I35-Y140 HydrophobicContact CD1-CG 3.73Å; Y132-Y140 AromaticContact CD1-CD2 3.63Å; Y132-Y140 HydrophobicContact CD1-CD2 3.63Å; Y132-Y140 AromaticContact CD1-CE2 3.71Å; Y132-Y140 HydrophobicContact CD1-CE2 3.71Å; Y132-Y140 HydrophobicContact CD1-CG 4.37Å; Y132-Y140 HydrophobicContact CE1-CD2 4.27Å; Y132-Y140 AromaticContact CE1-CE2 3.88Å; Y132-Y140 HydrophobicContact CE1-CE2 3.88Å; L133-Y140 CarbonylContact O-C 3.59Å; L133-Y140 WeakPolarHBondContact O-CA 3.31Å; L133-Y140 VanDerWaalsContact O-CB 3.24Å; L133-Y140 WeakPolarHBondContact O-CB 3.31Å
141	E	98.4	Very high	97.7	Very high	92 Å²	92	62.6 Å²	62.6	43%	0.43	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139	163.1	-174.6	177	162.5	0	0	108.8	L111 L133 M143	L111-E141 HydrophobicContact CD1-CB 3.57Å; L111-E141 VanDerWaalsContact CD1-OE2 3.25Å; L111-E141 WeakPolarHBondContact CD1-OE2 3.43Å; L111-E141 HydrophobicContact CD2-CB 4.44Å; L133-E141 PolarHBondContact N-O 3.02Å; L133-E141 PolarHBondContact O-N 3.1Å; E141-M143 HydrophobicContact CG-CG 4.34Å
142	K	98.1	Very high	97.6	Very high	88 Å²	88	63.7 Å²	63.7	38%	0.383	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.2	176.3	-169.9	-177.2	85.3	144.3	0	109.3	D130 Y132	D130-K142 HydrophobicContact CB-CD 4.28Å; D130-K142 HydrophobicContact CB-CG 4.28Å; D130-K142 IonicContact OD1-NZ 3.43Å; D130-K142 WeakPolarHBondContact OD2-CD 3.1Å; D130-K142 IonicContact OD2-NZ 3.93Å; D130-K142 PolarHBondContact OD2-NZ 3.29Å; Y132-K142 HydrophobicContact CD1-CB 4.15Å; Y132-K142 HydrophobicContact CD1-CD 4.49Å; Y132-K142 HydrophobicContact CD1-CG 4.06Å; Y132-K142 HydrophobicContact CE1-CB 4.05Å; Y132-K142 HydrophobicContact CE1-CD 3.63Å; Y132-K142 HydrophobicContact CE1-CG 3.68Å
143	M	98.3	Very high	97.4	Very high	43 Å²	43	69 Å²	69	21%	0.212	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	170.4	171.3	-55.7	-169.5	84.2	0	0	109.6	D130 V131 L133 E141 E147 L148	D130-M143 CarbonylContact C-O 3.55Å; D130-M143 WeakPolarHBondContact CA-O 3.45Å; V131-M143 PolarHBondContact N-O 3.08Å; V131-M143 PolarHBondContact O-N 3.26Å; L133-M143 HydrophobicContact CD1-CG 4.33Å; L133-M143 HydrophobicContact CD1-SD 3.87Å; E141-M143 HydrophobicContact CG-CG 4.34Å; M143-E147 HydrophobicContact CE-CB 4.14Å; M143-L148 HydrophobicContact CB-CD1 4.29Å; M143-L148 HydrophobicContact CB-CG 4.09Å; M143-L148 HydrophobicContact CE-CD2 4.35Å; M143-L148 HydrophobicContact SD-CD2 3.52Å; M143-L148 VanDerWaalsContact SD-CD2 3.52Å; M143-L148 HydrophobicContact SD-CG 4.07Å
144	T	98.2	Very high	97.2	Very high	34 Å²	34	68.7 Å²	68.7	21%	0.209	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	163	167	60.7	0	0	0	0	110.8	W129 D146 E147 L148	W129-T144 WeakPolarHBondContact O-CA 3.41Å; T144-D146 PolarHBondContact O-N 3.4Å; T144-E147 PolarHBondContact N-OE2 2.75Å; T144-E147 PolarHBondContact O-N 3.19Å; T144-E147 VanDerWaalsContact OG1-CD 3.3Å; T144-E147 VanDerWaalsContact OG1-CG 3.25Å; T144-E147 WeakPolarHBondContact OG1-CG 3.07Å; T144-E147 PolarHBondContact OG1-N 3.08Å; T144-E147 PolarHBondContact OG1-OE2 3.23Å; T144-L148 WeakPolarHBondContact O-CG 3.38Å; T144-L148 PolarHBondContact O-N 3.19Å; T144-L148 VanDerWaalsContact O-N 3.13Å
145	V	97.8	Very high	96.7	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-61.2	-35.2	172.9	176.4	0	0	0	0	111.7	M122 R123 C127 W129 V131 L148 L149	M122-V145 HydrophobicContact CB-CG1 3.97Å; M122-V145 HydrophobicContact CB-CG2 3.9Å; M122-V145 HydrophobicContact SD-CG2 4.32Å; R123-V145 HydrophobicContact CB-CG1 4.12Å; C127-V145 PolarHBondContact O-N 2.94Å; W129-V145 HydrophobicContact CD2-CG2 4.03Å; W129-V145 HydrophobicContact CG-CG2 4.18Å; W129-V145 HydrophobicContact CZ2-CG2 4.13Å; W129-V145 PolarHBondContact O-N 3.02Å; V131-V145 HydrophobicContact CG2-CG2 3.71Å; V145-L148 PolarHBondContact O-N 2.74Å; V145-L149 PolarHBondContact O-N 2.87Å
146	D	97.4	Very high	96.3	Very high	75 Å²	75	73.4 Å²	73.4	40%	0.401	36%	0.362	S	S	.	.	H	α-helix	trans	-65	-43.4	177.2	-164.2	58	0	0	0	112.7	C127 T144 L148 L149 P150	C127-D146 HydrophobicContact CB-CB 4.12Å; C127-D146 PolarHBondContact O-N 3.09Å; T144-D146 PolarHBondContact O-N 3.4Å; D146-L148 VanDerWaalsContact C-N 3.28Å; D146-L148 PolarHBondContact O-N 2.68Å; D146-L149 CarbonylContact O-C 3.54Å; D146-L149 PolarHBondContact O-N 2.89Å; D146-P150 WeakPolarHBondContact O-CA 3.47Å; D146-P150 VanDerWaalsContact O-N 3.09Å
147	E	97.9	Very high	95.9	Very high	117 Å²	117	72.8 Å²	72.8	55%	0.547	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-34.5	175.8	-71.3	163.5	144.2	0	0	112	M143 T144	M143-E147 HydrophobicContact CE-CB 4.14Å; T144-E147 PolarHBondContact N-OE2 2.75Å; T144-E147 PolarHBondContact O-N 3.19Å; T144-E147 VanDerWaalsContact OG1-CD 3.3Å; T144-E147 VanDerWaalsContact OG1-CG 3.25Å; T144-E147 WeakPolarHBondContact OG1-CG 3.07Å; T144-E147 PolarHBondContact OG1-N 3.08Å; T144-E147 PolarHBondContact OG1-OE2 3.23Å
148	L	98.1	Very high	95.6	Very high	10 Å²	10	72.9 Å²	72.9	5%	0.052	36%	0.357	C	S	.	.	H	α-helix	trans	-76.2	-26.7	177	-73.8	169.6	0	0	0	113.1	P114 R119 V131 M143 T144 V145 D146	P114-L148 HydrophobicContact CG-CD1 3.97Å; R119-L148 VanDerWaalsContact CD-O 3.31Å; R119-L148 WeakPolarHBondContact CD-O 3.29Å; R119-L148 HydrophobicContact CG-CB 4.35Å; R119-L148 PolarHBondContact NH1-O 3.08Å; V131-L148 HydrophobicContact CB-CD1 3.73Å; V131-L148 HydrophobicContact CG1-CD1 3.74Å; V131-L148 HydrophobicContact CG2-CD1 3.8Å; M143-L148 HydrophobicContact CB-CD1 4.29Å; M143-L148 HydrophobicContact CB-CG 4.09Å; M143-L148 HydrophobicContact CE-CD2 4.35Å; M143-L148 HydrophobicContact SD-CD2 3.52Å; M143-L148 VanDerWaalsContact SD-CD2 3.52Å; M143-L148 HydrophobicContact SD-CG 4.07Å; T144-L148 WeakPolarHBondContact O-CG 3.38Å; T144-L148 PolarHBondContact O-N 3.19Å; T144-L148 VanDerWaalsContact O-N 3.13Å; V145-L148 PolarHBondContact O-N 2.74Å; D146-L148 VanDerWaalsContact C-N 3.28Å; D146-L148 PolarHBondContact O-N 2.68Å
149	L	98.1	Very high	95.2	Very high	34 Å²	34	73 Å²	73	18%	0.178	37%	0.37	C	S	.	.	S	Bend	trans	-137.4	68.4	-178.9	-164.1	71.9	0	0	0	111.3	R119 Q120 R123 V145 D146 S152	R119-L149 HydrophobicContact CB-CB 4.2Å; R119-L149 HydrophobicContact CB-CD1 4.28Å; R119-L149 HydrophobicContact CB-CD2 4.28Å; R119-L149 HydrophobicContact CB-CG 4.5Å; Q120-L149 HydrophobicContact CB-CD2 4.48Å; R123-L149 HydrophobicContact CB-CD2 4.2Å; R123-L149 HydrophobicContact CG-CD2 4.49Å; V145-L149 PolarHBondContact O-N 2.87Å; D146-L149 CarbonylContact O-C 3.54Å; D146-L149 PolarHBondContact O-N 2.89Å; L149-S152 WeakPolarHBondContact O-CB 3.34Å; L149-S152 PolarHBondContact O-N 3.43Å
150	P	96.9	Very high	94.7	Very high	91 Å²	91	76.6 Å²	76.6	59%	0.591	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	143.8	-177.9	26.9	-35.2	0	0	0	110.7	D146 S152	D146-P150 WeakPolarHBondContact O-CA 3.47Å; D146-P150 VanDerWaalsContact O-N 3.09Å; P150-S152 PolarHBondContact O-N 2.98Å
151	R	93.4	Very high	94.3	Very high	248 Å²	248	81.3 Å²	81.3	94%	0.936	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	37.5	-179.5	-54.8	179	62.8	-174.6	-1.1	112.9
152	S	94.8	Very high	93.6	Very high	22 Å²	22	84.2 Å²	84.2	15%	0.154	42%	0.417	C	S	.	.			trans	-60.5	142.5	-177.1	57.3	0	0	0	0	113.9	R123 L149 P150	R123-S152 WeakPolarHBondContact CG-OG 3.32Å; R123-S152 PolarHBondContact NE-OG 3.43Å; L149-S152 WeakPolarHBondContact O-CB 3.34Å; L149-S152 PolarHBondContact O-N 3.43Å; P150-S152 PolarHBondContact O-N 2.98Å
153	F	95.7	Very high	93.1	Very high	117 Å²	117	85.6 Å²	85.6	51%	0.513	43%	0.432	S	S	.	.			trans	-69.5	144.1	163.8	178.4	-90.7	0	0	0	110.2	Q120 R123 D157 L158	Q120-F153 PolarHBondContact NE2-O 3.11Å; R123-F153 VanDerWaalsContact CD-O 3.24Å; R123-F153 WeakPolarHBondContact CD-O 3.38Å; R123-F153 PolarHBondContact NE-O 2.9Å; F153-D157 VanDerWaalsContact CA-OD2 3.3Å; F153-D157 WeakPolarHBondContact CA-OD2 3.48Å; F153-D157 HydrophobicContact CD2-CB 3.53Å; F153-D157 HydrophobicContact CE2-CB 3.36Å; F153-D157 HydrophobicContact CG-CB 4.41Å; F153-D157 HydrophobicContact CZ-CB 4.11Å; F153-L158 HydrophobicContact CE1-CD2 4.49Å; F153-L158 HydrophobicContact CZ-CD2 3.71Å; F153-L158 HydrophobicContact CZ-CG 4.19Å
154	G	93.3	Very high	92.1	Very high	2 Å²	2	88.8 Å²	88.8	2%	0.021	46%	0.459	C	S	.	.			trans	-169.1	-159.3	168	0	0	0	0	0	114.4	D156 D157	G154-D156 PolarHBondContact O-N 3.48Å; G154-D156 VanDerWaalsContact O-N 3.08Å; G154-D157 PolarHBondContact N-OD2 3.08Å; G154-D157 WeakPolarHBondContact O-CB 3.37Å; G154-D157 PolarHBondContact O-N 2.88Å
155	P	88.1	Confident	91	Very high	57 Å²	57	93.6 Å²	93.6	37%	0.37	48%	0.484	S	S	.	.	H	α-helix	trans	-53.8	-34.8	-173.7	-29.7	36.6	0	0	0	114	D157 L158	P155-D157 VanDerWaalsContact C-N 3.26Å; P155-D157 PolarHBondContact O-N 2.79Å; P155-L158 WeakPolarHBondContact O-CB 3.43Å; P155-L158 PolarHBondContact O-N 3.3Å
156	D	89.6	Confident	90.1	Very high	100 Å²	100	100.4 Å²	100.4	54%	0.535	52%	0.519	S	S	.	.	H	α-helix	trans	-62.6	-33.1	179.8	-47.4	-63.3	0	0	0	112.1	R123 G154 L158 S159	R123-D156 IonicContact NH1-OD2 3.85Å; R123-D156 IonicContact NH2-OD2 3.51Å; R123-D156 PolarHBondContact NH2-OD2 3.05Å; G154-D156 PolarHBondContact O-N 3.48Å; G154-D156 VanDerWaalsContact O-N 3.08Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3.42Å; D156-S159 PolarHBondContact O-N 2.97Å; D156-S159 PolarHBondContact O-OG 3.14Å
157	D	90.3	Very high	89	Confident	41 Å²	41	101.8 Å²	101.8	22%	0.219	53%	0.532	C	S	.	.	H	α-helix	trans	-68.9	-30.4	179.1	-65.1	-76.6	0	0	0	112.9	F153 G154 P155 S159 K160	F153-D157 VanDerWaalsContact CA-OD2 3.3Å; F153-D157 WeakPolarHBondContact CA-OD2 3.48Å; F153-D157 HydrophobicContact CD2-CB 3.53Å; F153-D157 HydrophobicContact CE2-CB 3.36Å; F153-D157 HydrophobicContact CG-CB 4.41Å; F153-D157 HydrophobicContact CZ-CB 4.11Å; G154-D157 PolarHBondContact N-OD2 3.08Å; G154-D157 WeakPolarHBondContact O-CB 3.37Å; G154-D157 PolarHBondContact O-N 2.88Å; P155-D157 VanDerWaalsContact C-N 3.26Å; P155-D157 PolarHBondContact O-N 2.79Å; D157-S159 PolarHBondContact O-N 2.97Å; D157-K160 PolarHBondContact O-N 3.13Å; D157-K160 WeakPolarHBondContact OD1-CE 3.15Å; D157-K160 IonicContact OD1-NZ 3.6Å; D157-K160 PolarHBondContact OD1-NZ 2.79Å
158	L	88.8	Confident	87.8	Confident	111 Å²	111	101 Å²	101	58%	0.581	54%	0.539	S	S	*	.	H	α-helix	trans	-68.2	-23.8	179.9	-62.6	178.4	0	0	0	112.7	F153 P155 D156 K162	F153-L158 HydrophobicContact CE1-CD2 4.49Å; F153-L158 HydrophobicContact CZ-CD2 3.71Å; F153-L158 HydrophobicContact CZ-CG 4.19Å; P155-L158 WeakPolarHBondContact O-CB 3.43Å; P155-L158 PolarHBondContact O-N 3.3Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3.42Å; L158-K162 PolarHBondContact O-NZ 2.51Å
159	S	89.1	Confident	86.2	Confident	103 Å²	103	108 Å²	108	72%	0.72	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-7.3	-179.6	73.8	0	0	0	0	114.3	D156 D157	D156-S159 PolarHBondContact O-N 2.97Å; D156-S159 PolarHBondContact O-OG 3.14Å; D157-S159 PolarHBondContact O-N 2.97Å
160	K	89	Confident	84.2	Confident	121 Å²	121	118.3 Å²	118.3	53%	0.526	62%	0.623	S	S	.	*	S	Bend	trans	-69.7	152.7	179.6	-66.4	177.9	-176.8	171.1	0	111.3	D157 K162	D157-K160 PolarHBondContact O-N 3.13Å; D157-K160 WeakPolarHBondContact OD1-CE 3.15Å; D157-K160 IonicContact OD1-NZ 3.6Å; D157-K160 PolarHBondContact OD1-NZ 2.79Å; K160-K162 PolarHBondContact O-N 3.23Å
161	E	88.2	Confident	83.6	Confident	201 Å²	201	119.7 Å²	119.7	94%	0.939	63%	0.625	S	S	*	*			trans	-57.4	130.9	175.2	-67	-175.8	170.3	0	0	110.6
162	K	85.4	Confident	83.1	Confident	152 Å²	152	112.9 Å²	112.9	66%	0.661	61%	0.608	S	S	*	*			trans	-110.9	149.1	179.4	-64.3	171.8	-169	168.5	0	108.9	L158 K160 S164	L158-K162 PolarHBondContact O-NZ 2.51Å; K160-K162 PolarHBondContact O-N 3.23Å; K162-S164 PolarHBondContact O-N 3.14Å; K162-S164 VanDerWaalsContact O-N 3.13Å
163	V	86.6	Confident	82.4	Confident	117 Å²	117	118 Å²	118	71%	0.709	63%	0.634	S	S	*	*			trans	-61.8	117.1	170.8	-178.7	0	0	0	0	108.3
164	S	76.8	Confident	81.6	Confident	111 Å²	111	118.1 Å²	118.1	78%	0.776	64%	0.641	S	S	*	*	S	Bend	trans	-81.8	-20.8	-174.1	49.8	0	0	0	0	113.9	K162	K162-S164 PolarHBondContact O-N 3.14Å; K162-S164 VanDerWaalsContact O-N 3.13Å
165	N	75.6	Confident	80.9	Confident	135 Å²	135	125.3 Å²	125.3	72%	0.722	68%	0.68	S	S	*	*			trans	-115.2	81.9	179.1	-69.5	-23.8	0	0	0	109.6	P167	N165-P167 VanDerWaalsContact O-CD 3.28Å; N165-P167 WeakPolarHBondContact O-CD 3.29Å
166	I	80.1	Confident	80.4	Confident	144 Å²	144	129.9 Å²	129.9	74%	0.738	70%	0.7	S	S	*	*			trans	-81.5	111.2	168.8	-57.7	175.9	0	0	0	106.3	S168	I166-S168 PolarHBondContact O-N 3.35Å; I166-S168 VanDerWaalsContact O-N 3.11Å
167	P	73.9	Confident	79.8	Confident	104 Å²	104	132 Å²	132	68%	0.675	71%	0.712	S	S	*	*			trans	-59.4	120	175.7	-17	30.4	0	0	0	108.4	N165 N169	N165-P167 VanDerWaalsContact O-CD 3.28Å; N165-P167 WeakPolarHBondContact O-CD 3.29Å; P167-N169 PolarHBondContact O-N 3.1Å
168	S	72.2	Confident	79	Confident	100 Å²	100	139 Å²	139	70%	0.699	75%	0.75	S	S	*	*			trans	-72	96.8	171.5	56.2	0	0	0	0	108	I166 H170	I166-S168 PolarHBondContact O-N 3.35Å; I166-S168 VanDerWaalsContact O-N 3.11Å; S168-H170 PolarHBondContact O-N 2.75Å
169	N	65.4	Low	78.1	Confident	157 Å²	157	141.3 Å²	141.3	84%	0.84	76%	0.764	S	S	*	*			trans	-77.2	74.9	161.7	-75.9	-8.9	0	0	0	107.6	P167	P167-N169 PolarHBondContact O-N 3.1Å
170	H	55.4	Low	77.1	Confident	251 Å²	251	144.8 Å²	144.8	100%	1.162	77%	0.768	S	S	*	*			trans	-104.9	0	159.5	-78.6	-21.2	0	0	0	108.3	S168	S168-H170 PolarHBondContact O-N 2.75Å

Retrieved 170 of 170 residues in 48.8 ms (Link to these results)

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