A0A061I3Y5_CRIGR Loading...

Aminomethyltransferase

The glycine cleavage system catalyzes the degradation of glycine.

AlphaFold DB , UniProt , Accession A0A061I3Y5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Amt, Length 403 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	M	34.4	Very low	33.1	Very low	242 Å²	242	155.2 Å²	155.2	100%	1.192	86%	0.863	S	S	*	*				0	121.5	0	-77.6	170.2	159.3	0	0	107.1
2	Q	33.8	Very low	32.7	Very low	186 Å²	186	152.8 Å²	152.8	87%	0.869	86%	0.862	S	S	*	*			cis	-151.3	132.7	-2.9	-96	173.9	-34.8	0	0	108
3	R	34.5	Very low	32.6	Very low	236 Å²	236	156.7 Å²	156.7	89%	0.891	86%	0.864	S	S	*	*			trans	15.3	137.4	149.2	-63.2	175.1	175.6	-169.7	-2.4	121.6
4	T	32.1	Very low	32.6	Very low	148 Å²	148	162.4 Å²	162.4	91%	0.908	87%	0.866	S	S	*	*				-170.4	146.8	95.8	8.1	0	0	0	0	113.2
5	V	37	Very low	32.6	Very low	140 Å²	140	163.5 Å²	163.5	85%	0.848	87%	0.871	S	S	*	*			trans	-96.6	145.5	174	172.6	0	0	0	0	108.5
6	S	31.1	Very low	32.6	Very low	115 Å²	115	165.1 Å²	165.1	80%	0.804	87%	0.872	S	S	*	*			trans	-147.5	146.6	160	-165.2	0	0	0	0	112.8
7	V	32.7	Very low	32.6	Very low	131 Å²	131	161.4 Å²	161.4	79%	0.794	87%	0.87	S	S	*	*			trans	-88.2	142	-167.1	174.4	0	0	0	0	110.4
8	V	32.6	Very low	32.7	Very low	142 Å²	142	162.5 Å²	162.5	86%	0.861	87%	0.869	S	S	*	*			trans	-114.5	125.5	172	-178.1	0	0	0	0	109.6
9	A	30.8	Very low	32.7	Very low	77 Å²	77	160.5 Å²	160.5	64%	0.636	87%	0.865	S	S	*	*			trans	-105.3	151	172.1	0	0	0	0	0	110.4
10	P	32.9	Very low	32.8	Very low	132 Å²	132	160.7 Å²	160.7	86%	0.857	87%	0.865	S	S	*	*			trans	-91.4	135.2	175.9	34.3	-28.3	0	0	0	111.3
11	L	31.8	Very low	32.9	Very low	158 Å²	158	159.8 Å²	159.8	83%	0.827	87%	0.865	S	S	*	*			trans	-109.7	129.8	171.1	-102.3	118.2	0	0	0	110.7
12	C	28.6	Very low	32.8	Very low	127 Å²	127	156.9 Å²	156.9	86%	0.858	85%	0.848	S	S	*	*			trans	-42.7	131.9	169.9	-78	0	0	0	0	113.8
13	F	31.6	Very low	32.7	Very low	203 Å²	203	152.7 Å²	152.7	89%	0.89	84%	0.84	S	S	*	*			trans	-109.5	119.1	158.2	-93.1	-87.9	0	0	0	110.2
14	R	32.4	Very low	32.6	Very low	237 Å²	237	152.9 Å²	152.9	89%	0.894	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-69.4	133.3	171.1	-79.2	178.4	170	-178.4	-3.4	109.8	Q16	R14-Q16 PolarHBondContact O-N 3.25Å
15	L	32.2	Very low	32.6	Very low	179 Å²	179	154.1 Å²	154.1	94%	0.937	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-61.5	124.8	165.4	-79.8	136.3	0	0	0	110.3
16	Q	32.5	Very low	32.6	Very low	189 Å²	189	155.5 Å²	155.5	88%	0.883	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-103.1	116.9	160.8	-83.1	-176.8	-28	0	0	108.6	R14	R14-Q16 PolarHBondContact O-N 3.25Å
17	A	33.8	Very low	32.9	Very low	101 Å²	101	154.8 Å²	154.8	84%	0.835	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-73	133.2	174.4	0	0	0	0	0	110.5
18	Q	33.8	Very low	33.3	Very low	182 Å²	182	153.5 Å²	153.5	85%	0.85	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-75.8	139.6	167.1	-71.8	-179.5	-34.4	0	0	109.7	L20	Q18-L20 PolarHBondContact O-N 2.98Å
19	P	33.1	Very low	33.5	Very low	124 Å²	124	152 Å²	152	81%	0.805	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.3	128.9	174.7	-3.6	18.9	0	0	0	110.4	V21	P19-V21 PolarHBondContact O-N 2.8Å
20	L	33.6	Very low	34.3	Very low	165 Å²	165	155.7 Å²	155.7	86%	0.864	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-57.4	129.3	166.5	-86.7	108.3	0	0	0	110	Q18 Q22	Q18-L20 PolarHBondContact O-N 2.98Å; L20-Q22 PolarHBondContact O-N 2.9Å
21	V	35.3	Very low	35.8	Very low	141 Å²	141	156 Å²	156	86%	0.855	82%	0.818	S	S	*	*			trans	-64.3	102.5	167.1	178.1	0	0	0	0	107.9	P19 S23	P19-V21 PolarHBondContact O-N 2.8Å; V21-S23 PolarHBondContact O-N 3.32Å
22	Q	31.9	Very low	38.5	Very low	181 Å²	181	155 Å²	155	85%	0.846	82%	0.818	S	S	*	*			trans	-66.9	111.8	166.2	-87.3	177.7	-26.2	0	0	108.4	L20 R24	L20-Q22 PolarHBondContact O-N 2.9Å; Q22-R24 PolarHBondContact O-N 3.35Å; Q22-R24 VanDerWaalsContact O-N 3.08Å
23	S	33.1	Very low	41.7	Very low	99 Å²	99	151.6 Å²	151.6	69%	0.692	79%	0.791	S	S	*	*			trans	-54	113.9	163.3	55.3	0	0	0	0	108.3	V21 Q25	V21-S23 PolarHBondContact O-N 3.32Å; S23-Q25 PolarHBondContact O-N 2.89Å
24	R	32.6	Very low	44.8	Very low	239 Å²	239	147.6 Å²	147.6	90%	0.902	77%	0.77	S	S	*	*			trans	-62	101.9	167.1	-78.2	-176.6	175.8	-159.6	-1.5	107.5	Q22 L26	Q22-R24 PolarHBondContact O-N 3.35Å; Q22-R24 VanDerWaalsContact O-N 3.08Å; R24-L26 PolarHBondContact O-N 3.47Å
25	Q	31.5	Very low	47.9	Very low	174 Å²	174	143.6 Å²	143.6	81%	0.813	76%	0.755	S	S	*	*			trans	-62.3	108.6	158.6	-77	-178.8	-19	0	0	106.4	S23 S27	S23-Q25 PolarHBondContact O-N 2.89Å; Q25-S27 PolarHBondContact O-N 3.38Å
26	L	36.5	Very low	51.1	Low	170 Å²	170	135.4 Å²	135.4	89%	0.89	71%	0.712	S	S	*	*			trans	-65.2	87.9	161.4	-77.1	159.7	0	0	0	106.3	R24 C28	R24-L26 PolarHBondContact O-N 3.47Å; L26-C28 PolarHBondContact O-N 2.96Å
27	S	38.6	Very low	54.2	Low	100 Å²	100	129.1 Å²	129.1	70%	0.699	69%	0.687	S	S	*	*			trans	-70.3	85.2	165.7	60.7	0	0	0	0	107.2	Q25 V29	Q25-S27 PolarHBondContact O-N 3.38Å; S27-V29 PolarHBondContact O-N 3.32Å
28	C	40.1	Very low	57.3	Low	103 Å²	103	124.4 Å²	124.4	70%	0.696	65%	0.648	S	S	*	*			trans	-69.7	71	159.9	-172	0	0	0	0	107.4	L26 Q30	L26-C28 PolarHBondContact O-N 2.96Å; C28-Q30 PolarHBondContact O-N 3.23Å; C28-Q30 VanDerWaalsContact O-N 3.14Å
29	V	37.7	Very low	60.4	Low	110 Å²	110	117.8 Å²	117.8	67%	0.667	62%	0.616	S	S	*	*			trans	-77.4	89.9	156	-173.4	0	0	0	0	103.5	S27 D31	S27-V29 PolarHBondContact O-N 3.32Å; V29-D31 PolarHBondContact O-N 3.02Å
30	Q	47.6	Very low	63.5	Low	156 Å²	156	117.3 Å²	117.3	73%	0.729	61%	0.607	S	S	*	*			trans	-60.4	109	159.9	-84.8	175	-10.1	0	0	105.4	C28 V32	C28-Q30 PolarHBondContact O-N 3.23Å; C28-Q30 VanDerWaalsContact O-N 3.14Å; Q30-V32 PolarHBondContact O-N 3.41Å
31	D	62.4	Low	66.6	Low	139 Å²	139	110.1 Å²	110.1	74%	0.743	57%	0.568	S	S	*	*			trans	-53	115	170.2	-80.2	-34.7	0	0	0	107.8	V29 L33	V29-D31 PolarHBondContact O-N 3.02Å; D31-L33 PolarHBondContact O-N 2.84Å
32	V	89.2	Confident	69.6	Low	136 Å²	136	103.5 Å²	103.5	82%	0.824	53%	0.528	S	S	*	.			trans	-69.4	104.3	179.1	178.6	0	0	0	0	107	Q30 R34	Q30-V32 PolarHBondContact O-N 3.41Å; V32-R34 PolarHBondContact O-N 3.24Å
33	L	95.8	Very high	72.8	Confident	56 Å²	56	98.7 Å²	98.7	29%	0.293	51%	0.508	S	S	.	.			trans	-59.1	132.8	179.3	-64.1	176.5	0	0	0	110.8	D31 A51	D31-L33 PolarHBondContact O-N 2.84Å; L33-A51 HydrophobicContact CD1-CB 3.89Å; L33-A51 HydrophobicContact CD2-CB 3.75Å; L33-A51 HydrophobicContact CG-CB 4.48Å
34	R	96.4	Very high	76	Confident	119 Å²	119	97.4 Å²	97.4	45%	0.449	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	149.3	172.3	-63.3	176.8	70.2	-175.8	0.5	110	V32 G54 W55 S56	V32-R34 PolarHBondContact O-N 3.24Å; R34-G54 PolarHBondContact N-O 2.91Å; R34-W55 HydrophobicContact CB-CD2 3.55Å; R34-W55 HydrophobicContact CB-CE3 3.5Å; R34-W55 HydrophobicContact CB-CG 4.09Å; R34-W55 HydrophobicContact CB-CH2 4.3Å; R34-W55 HydrophobicContact CB-CZ2 4.34Å; R34-W55 HydrophobicContact CB-CZ3 3.89Å; R34-W55 CarbonylContact O-C 3.56Å; R34-W55 VanDerWaalsContact O-CA 3.31Å; R34-W55 WeakPolarHBondContact O-CA 3.43Å; R34-S56 PolarHBondContact O-N 2.83Å
35	R	98.1	Very high	79.1	Confident	153 Å²	153	89.2 Å²	89.2	58%	0.577	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.6	-177	-64.3	-179.6	-175.1	-175.1	1.9	109.7	Y39 W55	R35-Y39 HydrophobicContact CB-CD2 4.13Å; R35-Y39 HydrophobicContact CB-CG 4.02Å; R35-Y39 HydrophobicContact CG-CD1 4.35Å; R35-Y39 HydrophobicContact CG-CD2 3.73Å; R35-Y39 HydrophobicContact CG-CE2 4.09Å; R35-Y39 HydrophobicContact CG-CG 3.87Å; R35-W55 WeakPolarHBondContact O-CZ3 3.37Å
36	T	98.4	Very high	82.3	Confident	6 Å²	6	82.4 Å²	82.4	4%	0.037	45%	0.451	C	S	.	.			trans	-76.6	164.4	170.3	66.2	0	0	0	0	110.3	L38 Y39 W55 L57 D80	T36-L38 PolarHBondContact O-N 3.34Å; T36-L38 PolarHBondContact OG1-N 2.89Å; T36-Y39 WeakPolarHBondContact O-CB 3.49Å; T36-Y39 PolarHBondContact O-N 2.97Å; T36-W55 HydrophobicContact CG2-CE3 3.88Å; T36-W55 HydrophobicContact CG2-CZ3 4.08Å; T36-L57 HydrophobicContact CG2-CD2 3.77Å; T36-D80 VanDerWaalsContact CB-OD2 3.24Å; T36-D80 WeakPolarHBondContact CB-OD2 3.43Å; T36-D80 WeakPolarHBondContact CG2-OD2 3.37Å; T36-D80 PolarHBondContact OG1-OD2 2.79Å
37	P	98.7	Very high	85.2	Confident	57 Å²	57	74.8 Å²	74.8	37%	0.37	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.5	172.4	-28.6	39.1	0	0	0	114.4	A178 A237 A240 V241	P37-A178 HydrophobicContact CB-CB 4.46Å; P37-A178 HydrophobicContact CG-CB 4.11Å; P37-A237 HydrophobicContact CB-CB 4.47Å; P37-A237 HydrophobicContact CG-CB 3.79Å; P37-A240 HydrophobicContact CB-CB 3.9Å; P37-V241 WeakPolarHBondContact O-CG2 3.27Å
38	L	98.8	Very high	88.1	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.016	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	10.3	177.1	-66.2	-172.6	0	0	0	114	T36 D40 F41 H42 D80 L180 A240 V241 A244	T36-L38 PolarHBondContact O-N 3.34Å; T36-L38 PolarHBondContact OG1-N 2.89Å; L38-D40 PolarHBondContact O-N 2.86Å; L38-F41 HydrophobicContact CB-CB 4.26Å; L38-F41 HydrophobicContact CD2-CB 4.13Å; L38-F41 HydrophobicContact CD2-CD1 4.39Å; L38-F41 HydrophobicContact CD2-CG 4.22Å; L38-F41 CarbonylContact O-C 3.48Å; L38-F41 WeakPolarHBondContact O-CA 3.47Å; L38-F41 VanDerWaalsContact O-CB 3.31Å; L38-F41 WeakPolarHBondContact O-CB 3.42Å; L38-F41 PolarHBondContact O-N 3.48Å; L38-F41 VanDerWaalsContact O-N 3.11Å; L38-H42 WeakPolarHBondContact CB-NE2 3.49Å; L38-H42 PolarHBondContact O-CD2 3.04Å; L38-H42 PolarHBondContact O-N 3.41Å; L38-D80 HydrophobicContact CD1-CB 4.06Å; L38-L180 HydrophobicContact CD1-CD2 3.32Å; L38-L180 HydrophobicContact CG-CD2 4.3Å; L38-A240 HydrophobicContact CD2-CB 4.18Å; L38-V241 HydrophobicContact CD2-CB 4.34Å; L38-V241 HydrophobicContact CD2-CG2 3.83Å; L38-A244 HydrophobicContact CD1-CB 4Å; L38-A244 HydrophobicContact CD2-CB 3.82Å
39	Y	98.8	Very high	90.9	Very high	42 Å²	42	72.4 Å²	72.4	17%	0.165	38%	0.38	C	S	.	.	H	α-helix	trans	-53.5	-53.7	-176.2	178.4	-97.1	0	0	0	113.8	R35 T36 F41 H42 L43 M49	R35-Y39 HydrophobicContact CB-CD2 4.13Å; R35-Y39 HydrophobicContact CB-CG 4.02Å; R35-Y39 HydrophobicContact CG-CD1 4.35Å; R35-Y39 HydrophobicContact CG-CD2 3.73Å; R35-Y39 HydrophobicContact CG-CE2 4.09Å; R35-Y39 HydrophobicContact CG-CG 3.87Å; T36-Y39 WeakPolarHBondContact O-CB 3.49Å; T36-Y39 PolarHBondContact O-N 2.97Å; Y39-F41 VanDerWaalsContact C-N 3.29Å; Y39-F41 PolarHBondContact O-N 3.2Å; Y39-H42 WeakPolarHBondContact O-CB 3.45Å; Y39-H42 PolarHBondContact O-N 3.47Å; Y39-L43 HydrophobicContact CD1-CD1 4.15Å; Y39-L43 HydrophobicContact CE1-CD1 3.55Å; Y39-L43 HydrophobicContact CE1-CG 4.39Å; Y39-L43 PolarHBondContact O-N 3.48Å; Y39-M49 HydrophobicContact CD2-CE 3.81Å; Y39-M49 HydrophobicContact CE2-CE 3.97Å
40	D	98.8	Very high	93.8	Very high	115 Å²	115	69.7 Å²	69.7	62%	0.615	36%	0.364	S	S	*	.	H	α-helix	trans	-69	-31.5	179.1	-66.4	-30.4	0	0	0	111.8	L38 H42 L43 A44	L38-D40 PolarHBondContact O-N 2.86Å; D40-H42 VanDerWaalsContact C-N 3.32Å; D40-H42 PolarHBondContact O-N 3.18Å; D40-L43 PolarHBondContact O-N 3.39Å; D40-A44 WeakPolarHBondContact O-CB 3.47Å; D40-A44 PolarHBondContact O-N 3.06Å
41	F	98.8	Very high	96.2	Very high	13 Å²	13	65.7 Å²	65.7	6%	0.057	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-43.3	172.9	178.3	-88.2	0	0	0	110.8	L38 Y39 L43 A44 H45 V241 A244 L248 L255	L38-F41 HydrophobicContact CB-CB 4.26Å; L38-F41 HydrophobicContact CD2-CB 4.13Å; L38-F41 HydrophobicContact CD2-CD1 4.39Å; L38-F41 HydrophobicContact CD2-CG 4.22Å; L38-F41 CarbonylContact O-C 3.48Å; L38-F41 WeakPolarHBondContact O-CA 3.47Å; L38-F41 VanDerWaalsContact O-CB 3.31Å; L38-F41 WeakPolarHBondContact O-CB 3.42Å; L38-F41 PolarHBondContact O-N 3.48Å; L38-F41 VanDerWaalsContact O-N 3.11Å; Y39-F41 VanDerWaalsContact C-N 3.29Å; Y39-F41 PolarHBondContact O-N 3.2Å; F41-L43 PolarHBondContact O-N 3.01Å; F41-A44 PolarHBondContact O-N 3.19Å; F41-H45 AromaticContact CD1-ND1 3.98Å; F41-H45 AromaticContact CD2-CE1 3.58Å; F41-H45 AromaticContact CD2-ND1 3.88Å; F41-H45 AromaticContact CE1-ND1 3.95Å; F41-H45 AromaticContact CE2-CE1 3.31Å; F41-H45 WeakPolarHBondContact CE2-CE1 3.38Å; F41-H45 AromaticContact CE2-ND1 3.84Å; F41-H45 AromaticContact CG-ND1 3.95Å; F41-H45 AromaticContact CZ-CE1 3.65Å; F41-H45 AromaticContact CZ-ND1 3.88Å; F41-H45 PolarHBondContact O-N 2.92Å; F41-H45 PolarHBondContact O-ND1 3.49Å; F41-V241 HydrophobicContact CD2-CG1 4.34Å; F41-A244 HydrophobicContact CE1-CB 4.17Å; F41-A244 HydrophobicContact CE2-CB 4.19Å; F41-A244 HydrophobicContact CZ-CB 3.93Å; F41-L248 HydrophobicContact CZ-CD2 3.8Å; F41-L255 HydrophobicContact CE1-CD1 3.75Å; F41-L255 HydrophobicContact CE1-CD2 3.84Å; F41-L255 HydrophobicContact CE1-CG 4.45Å; F41-L255 HydrophobicContact CZ-CD1 4.41Å; F41-L255 HydrophobicContact CZ-CD2 4.35Å
42	H	98.9	Very high	97.7	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.009	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-46.8	176.6	-61.9	-35.3	0	0	0	111.7	L38 Y39 D40 A44 H45 G46 G47 M49 P58 Y61 D80	L38-H42 WeakPolarHBondContact CB-NE2 3.49Å; L38-H42 PolarHBondContact O-CD2 3.04Å; L38-H42 PolarHBondContact O-N 3.41Å; Y39-H42 WeakPolarHBondContact O-CB 3.45Å; Y39-H42 PolarHBondContact O-N 3.47Å; D40-H42 VanDerWaalsContact C-N 3.32Å; D40-H42 PolarHBondContact O-N 3.18Å; H42-A44 PolarHBondContact O-N 3.44Å; H42-H45 CarbonylContact O-C 3.48Å; H42-H45 PolarHBondContact O-N 3.21Å; H42-G46 PolarHBondContact O-N 2.76Å; H42-G47 WeakPolarHBondContact O-CA 3.35Å; H42-G47 PolarHBondContact O-N 2.91Å; H42-M49 HydrophobicContact CB-CE 3.99Å; H42-M49 HydrophobicContact CB-SD 3.76Å; H42-P58 HydrophobicContact CB-CG 4.38Å; H42-Y61 HydrophobicContact CB-CE1 4.48Å; H42-Y61 PolarHBondContact CE1-OH 2.88Å; H42-Y61 AromaticContact ND1-CZ 3.91Å; H42-Y61 PolarHBondContact ND1-OH 3.21Å; H42-D80 IonicContact CD2-OD2 2.83Å; H42-D80 VanDerWaalsContact CE1-CB 3.46Å; H42-D80 WeakPolarHBondContact CE1-CB 3.47Å; H42-D80 IonicContact CE1-OD2 3.05Å; H42-D80 WeakPolarHBondContact NE2-CB 3.29Å; H42-D80 IonicContact NE2-OD2 2.84Å; H42-D80 PolarHBondContact NE2-OD2 2.65Å
43	L	98.8	Very high	97.8	Very high	80 Å²	80	58.8 Å²	58.8	42%	0.419	32%	0.32	S	S	.	.	H	α-helix	trans	-59.3	-46.5	178.6	-65.9	179.5	0	0	0	111.7	Y39 D40 F41 H45 G46 M49	Y39-L43 HydrophobicContact CD1-CD1 4.15Å; Y39-L43 HydrophobicContact CE1-CD1 3.55Å; Y39-L43 HydrophobicContact CE1-CG 4.39Å; Y39-L43 PolarHBondContact O-N 3.48Å; D40-L43 PolarHBondContact O-N 3.39Å; F41-L43 PolarHBondContact O-N 3.01Å; L43-H45 PolarHBondContact O-N 3.27Å; L43-G46 PolarHBondContact O-N 2.61Å; L43-M49 HydrophobicContact CD2-CG 3.57Å; L43-M49 HydrophobicContact CD2-SD 4.34Å
44	A	98.6	Very high	97.7	Very high	72 Å²	72	58.3 Å²	58.3	60%	0.595	33%	0.328	S	S	*	.	H	α-helix	trans	-60.8	-29.6	179.4	0	0	0	0	0	113	D40 F41 H42	D40-A44 WeakPolarHBondContact O-CB 3.47Å; D40-A44 PolarHBondContact O-N 3.06Å; F41-A44 PolarHBondContact O-N 3.19Å; H42-A44 PolarHBondContact O-N 3.44Å
45	H	98.7	Very high	97.8	Very high	68 Å²	68	53.7 Å²	53.7	32%	0.315	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	12.4	179.4	-63.5	84.4	0	0	0	113.5	F41 H42 L43 Y61 L248 L255	F41-H45 AromaticContact CD1-ND1 3.98Å; F41-H45 AromaticContact CD2-CE1 3.58Å; F41-H45 AromaticContact CD2-ND1 3.88Å; F41-H45 AromaticContact CE1-ND1 3.95Å; F41-H45 AromaticContact CE2-CE1 3.31Å; F41-H45 WeakPolarHBondContact CE2-CE1 3.38Å; F41-H45 AromaticContact CE2-ND1 3.84Å; F41-H45 AromaticContact CG-ND1 3.95Å; F41-H45 AromaticContact CZ-CE1 3.65Å; F41-H45 AromaticContact CZ-ND1 3.88Å; F41-H45 PolarHBondContact O-N 2.92Å; F41-H45 PolarHBondContact O-ND1 3.49Å; H42-H45 CarbonylContact O-C 3.48Å; H42-H45 PolarHBondContact O-N 3.21Å; L43-H45 PolarHBondContact O-N 3.27Å; H45-Y61 HydrophobicContact CB-CD1 4.29Å; H45-Y61 HydrophobicContact CB-CE1 4.28Å; H45-L248 VanDerWaalsContact CD2-CD2 3.49Å; H45-L248 WeakPolarHBondContact CD2-CD2 3.4Å; H45-L248 WeakPolarHBondContact NE2-CD2 3.43Å; H45-L255 HydrophobicContact CB-CD1 3.49Å; H45-L255 VanDerWaalsContact CB-CD1 3.49Å
46	G	98.4	Very high	97.8	Very high	30 Å²	30	47 Å²	47	31%	0.309	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	28.5	176.8	0	0	0	0	0	114	H42 L43 K48 Y61	H42-G46 PolarHBondContact O-N 2.76Å; L43-G46 PolarHBondContact O-N 2.61Å; G46-K48 PolarHBondContact O-N 3.06Å; G46-Y61 WeakPolarHBondContact O-CA 3.39Å
47	G	98.6	Very high	97.8	Very high	11 Å²	11	46.8 Å²	46.8	11%	0.113	29%	0.285	C	S	.	.			trans	-63.5	126.9	174.2	0	0	0	0	0	111.6	H42 M49 Y61	H42-G47 WeakPolarHBondContact O-CA 3.35Å; H42-G47 PolarHBondContact O-N 2.91Å; G47-M49 PolarHBondContact O-N 2.95Å; G47-Y61 VanDerWaalsContact CA-CD1 3.49Å
48	K	98.6	Very high	97.8	Very high	109 Å²	109	44.3 Å²	44.3	47%	0.474	27%	0.27	S	S	.	.			trans	-88.8	94.2	175.4	-61	-175.2	-169.8	170.8	0	108.8	G46 P58 V59 Q60	G46-K48 PolarHBondContact O-N 3.06Å; K48-P58 CarbonylContact O-C 3.58Å; K48-P58 WeakPolarHBondContact O-CA 3.41Å; K48-V59 HydrophobicContact CB-CG1 4.12Å; K48-V59 WeakPolarHBondContact O-CG1 3.31Å; K48-V59 PolarHBondContact O-N 2.79Å; K48-Q60 HydrophobicContact CB-CG 4.42Å; K48-Q60 HydrophobicContact CD-CG 3.83Å; K48-Q60 HydrophobicContact CG-CG 4.37Å; K48-Q60 PolarHBondContact N-O 3.2Å; K48-Q60 VanDerWaalsContact NZ-NE2 3.16Å
49	M	98.6	Very high	97.8	Very high	43 Å²	43	46.3 Å²	46.3	21%	0.212	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.8	-171.2	-50.1	-51.9	-76.3	0	0	112	Y39 H42 L43 G47 S56 L57 P58	Y39-M49 HydrophobicContact CD2-CE 3.81Å; Y39-M49 HydrophobicContact CE2-CE 3.97Å; H42-M49 HydrophobicContact CB-CE 3.99Å; H42-M49 HydrophobicContact CB-SD 3.76Å; L43-M49 HydrophobicContact CD2-CG 3.57Å; L43-M49 HydrophobicContact CD2-SD 4.34Å; G47-M49 PolarHBondContact O-N 2.95Å; M49-S56 VanDerWaalsContact CE-O 3.32Å; M49-S56 WeakPolarHBondContact CE-O 3.46Å; M49-L57 WeakPolarHBondContact CA-O 3.29Å; M49-P58 HydrophobicContact SD-CB 4.04Å
50	V	98.3	Very high	97.8	Very high	53 Å²	53	46.2 Å²	46.2	32%	0.321	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	164	176	-60	0	0	0	0	110.6	S56 L57 V59 L258	V50-S56 WeakPolarHBondContact O-CA 3.39Å; V50-L57 WeakPolarHBondContact CG2-O 3.46Å; V50-L57 PolarHBondContact N-O 3.37Å; V50-L57 PolarHBondContact O-N 3.12Å; V50-L57 VanDerWaalsContact O-N 3.09Å; V50-V59 HydrophobicContact CG1-CB 3.93Å; V50-V59 HydrophobicContact CG1-CG1 3.86Å; V50-V59 HydrophobicContact CG2-CB 3.84Å; V50-L258 HydrophobicContact CG2-CD1 3.91Å
51	A	97.7	Very high	97.8	Very high	72 Å²	72	41.5 Å²	41.5	60%	0.595	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.2	168.5	0	0	0	0	0	110.3	L33 W55	L33-A51 HydrophobicContact CD1-CB 3.89Å; L33-A51 HydrophobicContact CD2-CB 3.75Å; L33-A51 HydrophobicContact CG-CB 4.48Å; A51-W55 CarbonylContact C-O 3.44Å; A51-W55 WeakPolarHBondContact CA-O 3.33Å
52	F	95.4	Very high	97.7	Very high	81 Å²	81	50.5 Å²	50.5	36%	0.355	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	115	173.7	-177.4	-96.8	0	0	0	109.5	G54 W55 L57 H83 L258	F52-G54 PolarHBondContact O-N 2.89Å; F52-G54 VanDerWaalsContact O-N 3.14Å; F52-W55 PolarHBondContact N-O 3.05Å; F52-W55 WeakPolarHBondContact O-CA 3.45Å; F52-W55 WeakPolarHBondContact O-CB 3.42Å; F52-W55 PolarHBondContact O-N 3.47Å; F52-L57 HydrophobicContact CB-CD1 4.48Å; F52-L57 HydrophobicContact CD1-CD1 4.01Å; F52-H83 AromaticContact CD1-CD2 3.93Å; F52-H83 AromaticContact CD1-NE2 3.76Å; F52-H83 AromaticContact CE1-CD2 3.87Å; F52-H83 AromaticContact CE1-NE2 3.42Å; F52-H83 WeakPolarHBondContact CE1-NE2 3.46Å; F52-L258 HydrophobicContact CB-CD1 3.62Å; F52-L258 HydrophobicContact CD1-CD1 4.41Å; F52-L258 HydrophobicContact CD1-CD2 4.13Å; F52-L258 HydrophobicContact CD2-CD1 3.8Å; F52-L258 HydrophobicContact CD2-CD2 4.34Å; F52-L258 HydrophobicContact CE1-CD2 4.27Å; F52-L258 HydrophobicContact CE2-CD2 4.48Å; F52-L258 HydrophobicContact CG-CD1 3.68Å; F52-L258 HydrophobicContact CG-CD2 4.16Å; F52-L258 HydrophobicContact CZ-CD2 4.44Å
53	A	91.5	Very high	97.5	Very high	50 Å²	50	53.5 Å²	53.5	41%	0.413	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	36.7	-177.7	0	0	0	0	0	114.3	W55 A146	A53-W55 VanDerWaalsContact C-N 3.31Å; A53-W55 PolarHBondContact O-N 3.01Å; A53-A146 HydrophobicContact CB-CB 4.24Å
54	G	93.4	Very high	97.5	Very high	45 Å²	45	51.8 Å²	51.8	46%	0.464	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	4.2	-176.9	0	0	0	0	0	115.3	R34 F52	R34-G54 PolarHBondContact N-O 2.91Å; F52-G54 PolarHBondContact O-N 2.89Å; F52-G54 VanDerWaalsContact O-N 3.14Å
55	W	97.4	Very high	97.5	Very high	22 Å²	22	51.9 Å²	51.9	8%	0.083	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	156.2	176.8	-63.3	81.2	0	0	0	112.4	R34 R35 T36 A51 F52 A53 L57 H83	R34-W55 HydrophobicContact CB-CD2 3.55Å; R34-W55 HydrophobicContact CB-CE3 3.5Å; R34-W55 HydrophobicContact CB-CG 4.09Å; R34-W55 HydrophobicContact CB-CH2 4.3Å; R34-W55 HydrophobicContact CB-CZ2 4.34Å; R34-W55 HydrophobicContact CB-CZ3 3.89Å; R34-W55 CarbonylContact O-C 3.56Å; R34-W55 VanDerWaalsContact O-CA 3.31Å; R34-W55 WeakPolarHBondContact O-CA 3.43Å; R35-W55 WeakPolarHBondContact O-CZ3 3.37Å; T36-W55 HydrophobicContact CG2-CE3 3.88Å; T36-W55 HydrophobicContact CG2-CZ3 4.08Å; A51-W55 CarbonylContact C-O 3.44Å; A51-W55 WeakPolarHBondContact CA-O 3.33Å; F52-W55 PolarHBondContact N-O 3.05Å; F52-W55 WeakPolarHBondContact O-CA 3.45Å; F52-W55 WeakPolarHBondContact O-CB 3.42Å; F52-W55 PolarHBondContact O-N 3.47Å; A53-W55 VanDerWaalsContact C-N 3.31Å; A53-W55 PolarHBondContact O-N 3.01Å; W55-L57 HydrophobicContact CB-CD1 4.25Å; W55-L57 HydrophobicContact CB-CG 4.28Å; W55-H83 HydrophobicContact CB-CB 4.34Å; W55-H83 HydrophobicContact CD2-CB 3.64Å; W55-H83 HydrophobicContact CE3-CB 4.23Å; W55-H83 HydrophobicContact CG-CB 3.67Å; W55-H83 HydrophobicContact CZ2-CB 4.29Å
56	S	98.4	Very high	97.5	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107	170.1	-165.9	0	0	0	0	110	R34 M49 V50	R34-S56 PolarHBondContact O-N 2.83Å; M49-S56 VanDerWaalsContact CE-O 3.32Å; M49-S56 WeakPolarHBondContact CE-O 3.46Å; V50-S56 WeakPolarHBondContact O-CA 3.39Å
57	L	98.7	Very high	97.5	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.1	-176.3	-73.6	169.5	0	0	0	111.6	T36 M49 V50 F52 W55 V59 H83 L258	T36-L57 HydrophobicContact CG2-CD2 3.77Å; M49-L57 WeakPolarHBondContact CA-O 3.29Å; V50-L57 WeakPolarHBondContact CG2-O 3.46Å; V50-L57 PolarHBondContact N-O 3.37Å; V50-L57 PolarHBondContact O-N 3.12Å; V50-L57 VanDerWaalsContact O-N 3.09Å; F52-L57 HydrophobicContact CB-CD1 4.48Å; F52-L57 HydrophobicContact CD1-CD1 4.01Å; W55-L57 HydrophobicContact CB-CD1 4.25Å; W55-L57 HydrophobicContact CB-CG 4.28Å; L57-V59 PolarHBondContact O-N 2.85Å; L57-H83 HydrophobicContact CD1-CB 4.22Å; L57-H83 WeakPolarHBondContact CD1-ND1 3.5Å; L57-L258 HydrophobicContact CB-CD1 4.13Å; L57-L258 HydrophobicContact CB-CG 4.5Å; L57-L258 HydrophobicContact CD1-CD2 4.45Å
58	P	98.6	Very high	97.5	Very high	6 Å²	6	54 Å²	54	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	120.1	-179.6	27.9	-31.5	0	0	0	111.2	H42 K48 M49 Q60 Y61 G257 L258	H42-P58 HydrophobicContact CB-CG 4.38Å; K48-P58 CarbonylContact O-C 3.58Å; K48-P58 WeakPolarHBondContact O-CA 3.41Å; M49-P58 HydrophobicContact SD-CB 4.04Å; P58-Q60 VanDerWaalsContact C-N 3.25Å; P58-Q60 PolarHBondContact O-N 2.65Å; P58-Y61 HydrophobicContact CB-CE1 4.34Å; P58-Y61 HydrophobicContact CB-CE2 3.96Å; P58-Y61 HydrophobicContact CG-CE1 4.39Å; P58-Y61 HydrophobicContact CG-CE2 3.83Å; P58-Y61 WeakPolarHBondContact CG-OH 3.1Å; P58-G257 WeakPolarHBondContact O-CA 3.45Å; P58-L258 PolarHBondContact O-N 3.49Å
59	V	98.6	Very high	97.5	Very high	45 Å²	45	48.8 Å²	48.8	27%	0.273	27%	0.273	S	S	.	.	S	Bend	trans	-66.6	-33.9	170.5	69.2	0	0	0	0	111.2	K48 V50 L57 G257 L258 A259	K48-V59 HydrophobicContact CB-CG1 4.12Å; K48-V59 WeakPolarHBondContact O-CG1 3.31Å; K48-V59 PolarHBondContact O-N 2.79Å; V50-V59 HydrophobicContact CG1-CB 3.93Å; V50-V59 HydrophobicContact CG1-CG1 3.86Å; V50-V59 HydrophobicContact CG2-CB 3.84Å; L57-V59 PolarHBondContact O-N 2.85Å; V59-G257 CarbonylContact O-C 3.59Å; V59-L258 PolarHBondContact O-N 2.62Å; V59-A259 HydrophobicContact CG2-CB 4.06Å; V59-A259 WeakPolarHBondContact O-CB 3.48Å; V59-A259 PolarHBondContact O-N 3.48Å
60	Q	98.4	Very high	97.5	Very high	40 Å²	40	48.6 Å²	48.6	19%	0.187	27%	0.272	C	S	.	.			trans	-162.2	177.8	172.6	65	176.1	77	0	0	109.8	K48 P58 D63	K48-Q60 HydrophobicContact CB-CG 4.42Å; K48-Q60 HydrophobicContact CD-CG 3.83Å; K48-Q60 HydrophobicContact CG-CG 4.37Å; K48-Q60 PolarHBondContact N-O 3.2Å; K48-Q60 VanDerWaalsContact NZ-NE2 3.16Å; P58-Q60 VanDerWaalsContact C-N 3.25Å; P58-Q60 PolarHBondContact O-N 2.65Å; Q60-D63 PolarHBondContact NE2-O 3.5Å
61	Y	98.6	Very high	97.6	Very high	16 Å²	16	47.1 Å²	47.1	6%	0.063	26%	0.262	C	S	.	.			trans	-113.1	-142.5	173.2	-65.8	-96.5	0	0	0	110.5	H42 H45 G46 G47 P58 L255	H42-Y61 HydrophobicContact CB-CE1 4.48Å; H42-Y61 PolarHBondContact CE1-OH 2.88Å; H42-Y61 AromaticContact ND1-CZ 3.91Å; H42-Y61 PolarHBondContact ND1-OH 3.21Å; H45-Y61 HydrophobicContact CB-CD1 4.29Å; H45-Y61 HydrophobicContact CB-CE1 4.28Å; G46-Y61 WeakPolarHBondContact O-CA 3.39Å; G47-Y61 VanDerWaalsContact CA-CD1 3.49Å; P58-Y61 HydrophobicContact CB-CE1 4.34Å; P58-Y61 HydrophobicContact CB-CE2 3.96Å; P58-Y61 HydrophobicContact CG-CE1 4.39Å; P58-Y61 HydrophobicContact CG-CE2 3.83Å; P58-Y61 WeakPolarHBondContact CG-OH 3.1Å; Y61-L255 HydrophobicContact CD1-CB 4.14Å; Y61-L255 HydrophobicContact CD1-CD1 3.92Å; Y61-L255 HydrophobicContact CD2-CB 3.68Å; Y61-L255 HydrophobicContact CE1-CB 3.9Å; Y61-L255 HydrophobicContact CE1-CD1 3.38Å; Y61-L255 HydrophobicContact CE1-CG 4.27Å; Y61-L255 HydrophobicContact CE2-CB 3.42Å; Y61-L255 VanDerWaalsContact CE2-CB 3.42Å; Y61-L255 HydrophobicContact CE2-CD1 4.44Å; Y61-L255 HydrophobicContact CG-CB 4.03Å; Y61-L255 VanDerWaalsContact CZ-CB 3.5Å
62	R	96.8	Very high	97.6	Very high	201 Å²	201	43.7 Å²	43.7	76%	0.758	23%	0.234	S	C	*	.	S	Bend	trans	-64.6	-48.6	178.1	-64.2	-177.3	-176.6	152.5	3.7	112.2
63	D	96.6	Very high	97.8	Very high	66 Å²	66	41.3 Å²	41.3	35%	0.353	22%	0.222	S	C	.	.	S	Bend	trans	-66.2	152.6	177.5	-68	-18.6	0	0	0	110.9	Q60 D67 K254	Q60-D63 PolarHBondContact NE2-O 3.5Å; D63-D67 HydrophobicContact CB-CB 4.48Å; D63-K254 WeakPolarHBondContact OD2-CD 3.36Å; D63-K254 IonicContact OD2-NZ 3.85Å; D63-K254 PolarHBondContact OD2-NZ 2.88Å
64	S	98.3	Very high	98.1	Very high	44 Å²	44	47 Å²	47	31%	0.308	23%	0.233	S	C	.	.			trans	-63.9	152.8	171.7	82.5	0	0	0	0	110	V66 D67 S68	S64-V66 PolarHBondContact O-N 2.93Å; S64-V66 PolarHBondContact OG-N 3.3Å; S64-D67 WeakPolarHBondContact CB-OD2 3.23Å; S64-D67 PolarHBondContact O-N 3.13Å; S64-D67 PolarHBondContact OG-N 3.07Å; S64-D67 PolarHBondContact OG-OD2 2.92Å; S64-S68 WeakPolarHBondContact O-CB 3.16Å; S64-S68 PolarHBondContact O-N 2.83Å
65	H	97.6	Very high	98.4	Very high	74 Å²	74	48 Å²	48	34%	0.343	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-23.5	176.3	69.1	78.3	0	0	0	112.4	H69 A259	H65-H69 VanDerWaalsContact O-CB 3.25Å; H65-H69 WeakPolarHBondContact O-CB 3.49Å; H65-H69 PolarHBondContact O-N 3.08Å; H65-A259 HydrophobicContact CB-CB 3.56Å
66	V	98.6	Very high	98.5	Very high	56 Å²	56	47 Å²	47	34%	0.339	22%	0.222	S	C	.	.	H	α-helix	trans	-69.4	-47.2	174.3	177.6	0	0	0	0	110.2	S64 H69 L70 P354	S64-V66 PolarHBondContact O-N 2.93Å; S64-V66 PolarHBondContact OG-N 3.3Å; V66-H69 WeakPolarHBondContact O-CB 3.36Å; V66-H69 PolarHBondContact O-N 3.02Å; V66-L70 HydrophobicContact CG1-CD1 4.39Å; V66-L70 WeakPolarHBondContact O-CG 3.39Å; V66-L70 PolarHBondContact O-N 3.4Å; V66-P354 HydrophobicContact CB-CG 4.47Å; V66-P354 HydrophobicContact CG1-CB 3.91Å; V66-P354 HydrophobicContact CG1-CG 4.12Å; V66-P354 HydrophobicContact CG2-CG 4.48Å
67	D	98.8	Very high	98.5	Very high	88 Å²	88	46.4 Å²	46.4	47%	0.471	22%	0.218	S	C	.	.	H	α-helix	trans	-67.8	-40.4	177.9	-60.1	-46.9	0	0	0	111.3	D63 S64 H69 L70 H71	D63-D67 HydrophobicContact CB-CB 4.48Å; S64-D67 WeakPolarHBondContact CB-OD2 3.23Å; S64-D67 PolarHBondContact O-N 3.13Å; S64-D67 PolarHBondContact OG-N 3.07Å; S64-D67 PolarHBondContact OG-OD2 2.92Å; D67-H69 VanDerWaalsContact C-N 3.34Å; D67-H69 PolarHBondContact O-N 2.76Å; D67-L70 PolarHBondContact O-N 2.9Å; D67-H71 VanDerWaalsContact O-CB 3.32Å; D67-H71 WeakPolarHBondContact O-CB 3.28Å; D67-H71 PolarHBondContact O-N 3.02Å
68	S	98.8	Very high	98.5	Very high	8 Å²	8	46.4 Å²	46.4	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-41.4	174.5	178.6	0	0	0	0	112	S64 H71 T72 A256	S64-S68 WeakPolarHBondContact O-CB 3.16Å; S64-S68 PolarHBondContact O-N 2.83Å; S68-H71 PolarHBondContact O-N 3.15Å; S68-T72 PolarHBondContact O-N 3.47Å; S68-T72 PolarHBondContact O-OG1 2.98Å; S68-A256 WeakPolarHBondContact OG-CB 3.4Å
69	H	98.9	Very high	98.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-52.2	173.2	177.4	117.2	0	0	0	111.4	H65 V66 D67 H71 T72 R73 S263 L264 E267 P354 S355	H65-H69 VanDerWaalsContact O-CB 3.25Å; H65-H69 WeakPolarHBondContact O-CB 3.49Å; H65-H69 PolarHBondContact O-N 3.08Å; V66-H69 WeakPolarHBondContact O-CB 3.36Å; V66-H69 PolarHBondContact O-N 3.02Å; D67-H69 VanDerWaalsContact C-N 3.34Å; D67-H69 PolarHBondContact O-N 2.76Å; H69-H71 VanDerWaalsContact C-N 3.3Å; H69-H71 PolarHBondContact O-N 2.87Å; H69-T72 WeakPolarHBondContact O-CB 3.33Å; H69-T72 PolarHBondContact O-N 3.36Å; H69-T72 VanDerWaalsContact O-N 3.16Å; H69-R73 PolarHBondContact NE2-NE 3.02Å; H69-R73 PolarHBondContact O-N 3.3Å; H69-S263 WeakPolarHBondContact ND1-CB 3.32Å; H69-S263 PolarHBondContact ND1-OG 3.48Å; H69-L264 PolarHBondContact ND1-N 2.82Å; H69-E267 IonicContact CE1-OE1 3.38Å; H69-E267 PolarHBondContact CE1-OE1 2.67Å; H69-E267 IonicContact CE1-OE2 3.83Å; H69-E267 PolarHBondContact CE1-OE2 3.32Å; H69-E267 VanDerWaalsContact NE2-CD 3.31Å; H69-E267 IonicContact NE2-OE1 3.62Å; H69-E267 PolarHBondContact NE2-OE1 2.9Å; H69-E267 IonicContact NE2-OE2 4Å; H69-E267 PolarHBondContact NE2-OE2 2.78Å; H69-P354 HydrophobicContact CB-CB 4.32Å; H69-P354 HydrophobicContact CB-CG 3.93Å; H69-S355 PolarHBondContact NE2-OG 3.08Å
70	L	98.9	Very high	98.5	Very high	39 Å²	39	45 Å²	45	20%	0.204	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-36.9	-179	-69.3	173	0	0	0	112	V66 D67 T72 R73 R74 P354	V66-L70 HydrophobicContact CG1-CD1 4.39Å; V66-L70 WeakPolarHBondContact O-CG 3.39Å; V66-L70 PolarHBondContact O-N 3.4Å; D67-L70 PolarHBondContact O-N 2.9Å; L70-T72 VanDerWaalsContact C-N 3.35Å; L70-R73 PolarHBondContact O-N 3.26Å; L70-R74 WeakPolarHBondContact O-CG 3.43Å; L70-R74 PolarHBondContact O-N 3.4Å; L70-P354 HydrophobicContact CD2-CB 3.97Å; L70-P354 HydrophobicContact CG-CB 3.96Å
71	H	98.9	Very high	98.5	Very high	22 Å²	22	43.1 Å²	43.1	10%	0.102	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-46.4	173.2	-176.9	88.4	0	0	0	111	D67 S68 H69 R73 R74 H75 C76 E252	D67-H71 VanDerWaalsContact O-CB 3.32Å; D67-H71 WeakPolarHBondContact O-CB 3.28Å; D67-H71 PolarHBondContact O-N 3.02Å; S68-H71 PolarHBondContact O-N 3.15Å; H69-H71 VanDerWaalsContact C-N 3.3Å; H69-H71 PolarHBondContact O-N 2.87Å; H71-R73 VanDerWaalsContact C-N 3.27Å; H71-R73 PolarHBondContact O-N 3.33Å; H71-R74 PolarHBondContact O-N 2.94Å; H71-H75 AromaticContact CE1-CD2 3.66Å; H71-H75 AromaticContact CE1-CG 3.85Å; H71-H75 AromaticContact ND1-CD2 3.69Å; H71-H75 PolarHBondContact O-N 3.17Å; H71-C76 PolarHBondContact CD2-O 3.16Å; H71-C76 VanDerWaalsContact CD2-O 3.28Å; H71-C76 PolarHBondContact NE2-O 3.42Å; H71-E252 PolarHBondContact CE1-O 2.94Å; H71-E252 PolarHBondContact NE2-O 2.83Å
72	T	98.9	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.3	-38.8	-179.6	-49.4	0	0	0	0	112.2	S68 H69 L70 R74 S77 F79 Q183 G184 L264	S68-T72 PolarHBondContact O-N 3.47Å; S68-T72 PolarHBondContact O-OG1 2.98Å; H69-T72 WeakPolarHBondContact O-CB 3.33Å; H69-T72 PolarHBondContact O-N 3.36Å; H69-T72 VanDerWaalsContact O-N 3.16Å; L70-T72 VanDerWaalsContact C-N 3.35Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-S77 VanDerWaalsContact OG1-CB 3.31Å; T72-S77 WeakPolarHBondContact OG1-CB 3.33Å; T72-S77 PolarHBondContact OG1-OG 3.44Å; T72-F79 HydrophobicContact CG2-CE2 4.2Å; T72-F79 HydrophobicContact CG2-CZ 4.33Å; T72-Q183 HydrophobicContact CG2-CB 4.29Å; T72-Q183 WeakPolarHBondContact CG2-O 3.34Å; T72-G184 WeakPolarHBondContact O-CA 3.34Å; T72-L264 HydrophobicContact CG2-CD1 3.64Å; T72-L264 HydrophobicContact CG2-CD2 4.36Å
73	R	98.8	Very high	98.6	Very high	31 Å²	31	33.6 Å²	33.6	12%	0.117	17%	0.165	C	C	.	.	H	α-helix	trans	-77.8	-14.3	177.6	-63.3	-153	-176.7	-79	-5.1	114.8	H69 L70 H71 T226 E228 L264 E267 S355	H69-R73 PolarHBondContact NE2-NE 3.02Å; H69-R73 PolarHBondContact O-N 3.3Å; L70-R73 PolarHBondContact O-N 3.26Å; H71-R73 VanDerWaalsContact C-N 3.27Å; H71-R73 PolarHBondContact O-N 3.33Å; R73-T226 PolarHBondContact NH1-O 3.5Å; R73-E228 HydrophobicContact CG-CG 4.4Å; R73-E228 IonicContact CZ-OE1 3.47Å; R73-E228 IonicContact NH1-OE1 3.16Å; R73-E228 PolarHBondContact NH1-OE1 2.89Å; R73-L264 HydrophobicContact CG-CD2 3.79Å; R73-L264 PolarHBondContact NH2-O 2.97Å; R73-E267 IonicContact CZ-OE2 3.53Å; R73-E267 IonicContact NE-OE2 2.72Å; R73-E267 PolarHBondContact NE-OE2 2.9Å; R73-E267 IonicContact NH2-OE2 2.65Å; R73-E267 PolarHBondContact NH2-OE2 2.94Å; R73-S355 VanDerWaalsContact CD-OG 3.28Å; R73-S355 WeakPolarHBondContact CD-OG 3.45Å; R73-S355 PolarHBondContact NE-OG 3.17Å; R73-S355 VanDerWaalsContact NE-OG 3.15Å
74	R	98.8	Very high	98.7	Very high	171 Å²	171	31.1 Å²	31.1	65%	0.645	15%	0.152	S	C	*	.	H	α-helix	trans	-104.8	-31.6	-178.5	-69.7	177.4	-174.2	171.9	3.1	113.4	L70 H71 T72 P185	L70-R74 WeakPolarHBondContact O-CG 3.43Å; L70-R74 PolarHBondContact O-N 3.4Å; H71-R74 PolarHBondContact O-N 2.94Å; T72-R74 VanDerWaalsContact C-N 3.35Å; R74-P185 WeakPolarHBondContact O-CG 3.22Å
75	H	98.9	Very high	98.7	Very high	65 Å²	65	29 Å²	29	30%	0.301	14%	0.137	S	C	.	.	S	Bend	trans	-131	-121.1	-174.8	-62.3	-73.9	0	0	0	109.2	H71 G184 P185 T186 E252	H71-H75 AromaticContact CE1-CD2 3.66Å; H71-H75 AromaticContact CE1-CG 3.85Å; H71-H75 AromaticContact ND1-CD2 3.69Å; H71-H75 PolarHBondContact O-N 3.17Å; H75-G184 CarbonylContact O-C 3.39Å; H75-G184 WeakPolarHBondContact O-CA 3.34Å; H75-P185 WeakPolarHBondContact O-CD 3.45Å; H75-P185 WeakPolarHBondContact O-CG 3.29Å; H75-T186 WeakPolarHBondContact CA-OG1 3.28Å; H75-T186 PolarHBondContact O-N 3.27Å; H75-T186 VanDerWaalsContact O-N 3.16Å; H75-T186 PolarHBondContact O-OG1 3.27Å; H75-E252 WeakPolarHBondContact CB-O 3.48Å; H75-E252 IonicContact CE1-OE1 3.2Å; H75-E252 IonicContact CE1-OE2 2.76Å; H75-E252 IonicContact CG-OE2 3.17Å; H75-E252 IonicContact ND1-OE1 2.76Å; H75-E252 PolarHBondContact ND1-OE1 3Å; H75-E252 IonicContact ND1-OE2 2.89Å; H75-E252 PolarHBondContact ND1-OE2 2.72Å
76	C	98.9	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.4	164.2	56.1	0	0	0	0	112.4	H71 L182 Q183 T186 A187 E252 V253 K254	H71-C76 PolarHBondContact CD2-O 3.16Å; H71-C76 VanDerWaalsContact CD2-O 3.28Å; H71-C76 PolarHBondContact NE2-O 3.42Å; C76-L182 HydrophobicContact CB-CD1 4.25Å; C76-L182 HydrophobicContact CB-CG 4.49Å; C76-Q183 CarbonylContact C-O 3.57Å; C76-Q183 WeakPolarHBondContact CA-O 3.45Å; C76-Q183 VanDerWaalsContact CB-O 3.31Å; C76-Q183 WeakPolarHBondContact CB-O 3.25Å; C76-T186 PolarHBondContact N-OG1 3.5Å; C76-T186 PolarHBondContact SG-OG1 3.02Å; C76-A187 HydrophobicContact CB-CB 3.84Å; C76-E252 PolarHBondContact N-O 2.8Å; C76-V253 WeakPolarHBondContact O-CA 3.34Å; C76-K254 PolarHBondContact O-N 3.29Å
77	S	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.2	175.4	-61.7	0	0	0	0	111.6	T72 L182 Q183 K254	T72-S77 VanDerWaalsContact OG1-CB 3.31Å; T72-S77 WeakPolarHBondContact OG1-CB 3.33Å; T72-S77 PolarHBondContact OG1-OG 3.44Å; S77-L182 WeakPolarHBondContact O-CA 3.19Å; S77-Q183 PolarHBondContact N-O 2.8Å; S77-Q183 PolarHBondContact O-N 2.77Å; S77-K254 CarbonylContact C-O 3.59Å; S77-K254 WeakPolarHBondContact CA-O 3.45Å; S77-K254 WeakPolarHBondContact CB-O 3.36Å
78	L	98.9	Very high	98.7	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.7	174.6	-176.7	65.4	0	0	0	109.9	L180 A181 L182 A244 L247 V253 K254 L255 A256	L78-L180 HydrophobicContact CD1-CB 4.04Å; L78-A181 CarbonylContact C-O 3.58Å; L78-A181 WeakPolarHBondContact CA-O 3.46Å; L78-L182 HydrophobicContact CB-CD1 4.3Å; L78-L182 HydrophobicContact CD1-CB 4.45Å; L78-L182 HydrophobicContact CD1-CD1 4.45Å; L78-A244 HydrophobicContact CD2-CB 4.09Å; L78-L247 HydrophobicContact CD1-CD1 3.88Å; L78-L247 HydrophobicContact CD2-CB 4.31Å; L78-L247 HydrophobicContact CD2-CD1 4.37Å; L78-V253 HydrophobicContact CB-CG1 3.87Å; L78-K254 PolarHBondContact N-O 3.48Å; L78-L255 HydrophobicContact CB-CD2 4.09Å; L78-L255 HydrophobicContact CD2-CD2 3.98Å; L78-L255 HydrophobicContact CG-CD2 4.32Å; L78-A256 PolarHBondContact O-N 2.91Å
79	F	98.9	Very high	98.7	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.031	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.7	176.5	-59.4	-100.1	0	0	0	109.6	T72 V81 L180 A181 Q183 T226 A256 R261 L264	T72-F79 HydrophobicContact CG2-CE2 4.2Å; T72-F79 HydrophobicContact CG2-CZ 4.33Å; F79-V81 HydrophobicContact CB-CG1 4.24Å; F79-L180 WeakPolarHBondContact O-CA 3.36Å; F79-A181 HydrophobicContact CB-CB 4.24Å; F79-A181 PolarHBondContact N-O 2.47Å; F79-A181 PolarHBondContact O-N 3.33Å; F79-Q183 HydrophobicContact CD2-CB 4.45Å; F79-Q183 HydrophobicContact CD2-CG 4.18Å; F79-Q183 HydrophobicContact CE2-CB 4.08Å; F79-Q183 HydrophobicContact CE2-CG 4.24Å; F79-T226 HydrophobicContact CE2-CG2 4.41Å; F79-A256 HydrophobicContact CD1-CB 3.77Å; F79-A256 WeakPolarHBondContact CD1-O 3.2Å; F79-A256 HydrophobicContact CD2-CB 4.39Å; F79-A256 HydrophobicContact CE1-CB 3.25Å; F79-A256 HydrophobicContact CE2-CB 3.92Å; F79-A256 HydrophobicContact CG-CB 4.32Å; F79-A256 HydrophobicContact CZ-CB 3.33Å; F79-R261 HydrophobicContact CD1-CB 4.13Å; F79-R261 HydrophobicContact CE1-CB 3.86Å; F79-L264 HydrophobicContact CZ-CD1 3.79Å
80	D	98.9	Very high	98.7	Very high	14 Å²	14	24 Å²	24	8%	0.075	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.9	165.5	177	14.1	0	0	0	109.6	T36 L38 H42 S82	T36-D80 VanDerWaalsContact CB-OD2 3.24Å; T36-D80 WeakPolarHBondContact CB-OD2 3.43Å; T36-D80 WeakPolarHBondContact CG2-OD2 3.37Å; T36-D80 PolarHBondContact OG1-OD2 2.79Å; L38-D80 HydrophobicContact CD1-CB 4.06Å; H42-D80 IonicContact CD2-OD2 2.83Å; H42-D80 VanDerWaalsContact CE1-CB 3.46Å; H42-D80 WeakPolarHBondContact CE1-CB 3.47Å; H42-D80 IonicContact CE1-OD2 3.05Å; H42-D80 WeakPolarHBondContact NE2-CB 3.29Å; H42-D80 IonicContact NE2-OD2 2.84Å; H42-D80 PolarHBondContact NE2-OD2 2.65Å; D80-S82 WeakPolarHBondContact OD1-CB 3.44Å; D80-S82 PolarHBondContact OD1-N 2.81Å; D80-S82 PolarHBondContact OD1-OG 3.09Å
81	V	98.6	Very high	98.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	10%	0.101	C	C	.	.			trans	-121.6	22.5	178.1	-61.1	0	0	0	0	111.4	F79 H83 M84 L179 A181 R261	F79-V81 HydrophobicContact CB-CG1 4.24Å; V81-H83 PolarHBondContact O-N 3.12Å; V81-M84 HydrophobicContact CB-CE 3.88Å; V81-M84 HydrophobicContact CB-CG 4.42Å; V81-M84 HydrophobicContact CB-SD 4.44Å; V81-M84 HydrophobicContact CG2-CE 3.82Å; V81-M84 WeakPolarHBondContact O-CB 3.38Å; V81-M84 WeakPolarHBondContact O-CG 3.48Å; V81-M84 PolarHBondContact O-N 3.43Å; V81-M84 VanDerWaalsContact O-N 3.08Å; V81-L179 CarbonylContact C-O 3.6Å; V81-L179 WeakPolarHBondContact CA-O 3.25Å; V81-L179 HydrophobicContact CG2-CB 4.01Å; V81-L179 HydrophobicContact CG2-CD2 3.87Å; V81-L179 HydrophobicContact CG2-CG 3.66Å; V81-L179 VanDerWaalsContact CG2-O 3.24Å; V81-L179 WeakPolarHBondContact CG2-O 3.42Å; V81-L179 PolarHBondContact N-O 3.13Å; V81-A181 HydrophobicContact CG2-CB 4.26Å; V81-R261 VanDerWaalsContact CG1-NH1 3.31Å
82	S	98.7	Very high	98.7	Very high	11 Å²	11	27.6 Å²	27.6	8%	0.077	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-8.7	-177.4	-50	0	0	0	0	114.7	D80 M84 A178 L179	D80-S82 WeakPolarHBondContact OD1-CB 3.44Å; D80-S82 PolarHBondContact OD1-N 2.81Å; D80-S82 PolarHBondContact OD1-OG 3.09Å; S82-M84 VanDerWaalsContact C-N 3.33Å; S82-A178 WeakPolarHBondContact OG-CB 3.19Å; S82-L179 PolarHBondContact N-O 2.74Å; S82-L179 VanDerWaalsContact N-O 3.11Å; S82-L179 PolarHBondContact OG-N 3.05Å; S82-L179 PolarHBondContact OG-O 3.2Å
83	H	97.7	Very high	98.7	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.023	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.4	176.2	59.1	-68.8	0	0	0	112.7	F52 W55 L57 V81 A146	F52-H83 AromaticContact CD1-CD2 3.93Å; F52-H83 AromaticContact CD1-NE2 3.76Å; F52-H83 AromaticContact CE1-CD2 3.87Å; F52-H83 AromaticContact CE1-NE2 3.42Å; F52-H83 WeakPolarHBondContact CE1-NE2 3.46Å; W55-H83 HydrophobicContact CB-CB 4.34Å; W55-H83 HydrophobicContact CD2-CB 3.64Å; W55-H83 HydrophobicContact CE3-CB 4.23Å; W55-H83 HydrophobicContact CG-CB 3.67Å; W55-H83 HydrophobicContact CZ2-CB 4.29Å; L57-H83 HydrophobicContact CD1-CB 4.22Å; L57-H83 WeakPolarHBondContact CD1-ND1 3.5Å; V81-H83 PolarHBondContact O-N 3.12Å; H83-A146 HydrophobicContact CB-CB 4.1Å; H83-A146 WeakPolarHBondContact CD2-CB 3.39Å; H83-A146 WeakPolarHBondContact O-CB 3.11Å
84	M	98.2	Very high	98.7	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.069	13%	0.134	C	C	.	.	S	Bend	trans	-68.1	147.1	178.6	-63.2	-160.9	-56	0	0	111.6	V81 S82 Q86 V143 S144 L179	V81-M84 HydrophobicContact CB-CE 3.88Å; V81-M84 HydrophobicContact CB-CG 4.42Å; V81-M84 HydrophobicContact CB-SD 4.44Å; V81-M84 HydrophobicContact CG2-CE 3.82Å; V81-M84 WeakPolarHBondContact O-CB 3.38Å; V81-M84 WeakPolarHBondContact O-CG 3.48Å; V81-M84 PolarHBondContact O-N 3.43Å; V81-M84 VanDerWaalsContact O-N 3.08Å; S82-M84 VanDerWaalsContact C-N 3.33Å; M84-Q86 PolarHBondContact O-N 3.29Å; M84-V143 HydrophobicContact CB-CG1 4.07Å; M84-V143 HydrophobicContact CE-CG1 3.68Å; M84-V143 HydrophobicContact SD-CG1 4.44Å; M84-S144 WeakPolarHBondContact CB-O 3.2Å; M84-L179 HydrophobicContact CB-CD2 4.45Å; M84-L179 HydrophobicContact CE-CD2 3.41Å; M84-L179 VanDerWaalsContact CE-CD2 3.41Å
85	L	98.5	Very high	98.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.6	177.5	174.3	58.8	0	0	0	109.7	T87 V143 S144 W149 D152 L153 M156 V174	L85-T87 HydrophobicContact CD1-CG2 3.61Å; L85-T87 HydrophobicContact CD2-CG2 4.21Å; L85-T87 HydrophobicContact CG-CG2 3.86Å; L85-V143 CarbonylContact O-C 3.58Å; L85-V143 VanDerWaalsContact O-CA 3.24Å; L85-V143 WeakPolarHBondContact O-CA 3.39Å; L85-S144 PolarHBondContact N-O 3.46Å; L85-S144 PolarHBondContact O-N 3.36Å; L85-W149 VanDerWaalsContact CA-CE3 3.43Å; L85-W149 HydrophobicContact CB-CD2 4Å; L85-W149 HydrophobicContact CB-CE3 3.42Å; L85-W149 VanDerWaalsContact CB-CE3 3.42Å; L85-W149 HydrophobicContact CB-CZ3 3.83Å; L85-W149 HydrophobicContact CD1-CD2 3.66Å; L85-W149 HydrophobicContact CD1-CE3 3.57Å; L85-W149 HydrophobicContact CD1-CH2 3.43Å; L85-W149 VanDerWaalsContact CD1-CH2 3.43Å; L85-W149 HydrophobicContact CD1-CZ2 3.54Å; L85-W149 HydrophobicContact CD1-CZ3 3.48Å; L85-W149 VanDerWaalsContact CD1-CZ3 3.48Å; L85-W149 HydrophobicContact CG-CD2 4.25Å; L85-W149 HydrophobicContact CG-CE3 4.03Å; L85-W149 HydrophobicContact CG-CZ3 4.25Å; L85-D152 HydrophobicContact CD2-CB 3.93Å; L85-L153 HydrophobicContact CD2-CB 4.24Å; L85-M156 HydrophobicContact CD2-CE 3.85Å; L85-V174 HydrophobicContact CD1-CG1 4.25Å
86	Q	98.8	Very high	98.7	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.7	171.9	-66.8	176.2	79.7	0	0	109	M84 Y141 V142 V143 V175 N177 L179 S234	M84-Q86 PolarHBondContact O-N 3.29Å; Q86-Y141 HydrophobicContact CB-CE2 4.26Å; Q86-Y141 HydrophobicContact CG-CE2 4.45Å; Q86-Y141 PolarHBondContact OE1-OH 2.77Å; Q86-V142 WeakPolarHBondContact CA-O 3.46Å; Q86-V143 HydrophobicContact CG-CG2 4.3Å; Q86-V175 HydrophobicContact CB-CB 3.84Å; Q86-V175 HydrophobicContact CB-CG2 4.24Å; Q86-V175 PolarHBondContact O-N 3.17Å; Q86-N177 PolarHBondContact NE2-O 3.11Å; Q86-L179 HydrophobicContact CG-CD2 4.4Å; Q86-S234 PolarHBondContact OE1-OG 2.94Å
87	T	98.9	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.3	175.3	62.5	0	0	0	0	112.2	L85 V142 M156 L172 E173 V174	L85-T87 HydrophobicContact CD1-CG2 3.61Å; L85-T87 HydrophobicContact CD2-CG2 4.21Å; L85-T87 HydrophobicContact CG-CG2 3.86Å; T87-V142 PolarHBondContact N-O 3.2Å; T87-V142 PolarHBondContact O-N 3.07Å; T87-V142 WeakPolarHBondContact OG1-CB 3.4Å; T87-M156 HydrophobicContact CG2-CE 3.77Å; T87-L172 HydrophobicContact CG2-CD1 4.15Å; T87-E173 CarbonylContact C-O 3.52Å; T87-E173 WeakPolarHBondContact CA-O 3.24Å; T87-E173 WeakPolarHBondContact CB-O 3.34Å; T87-V174 HydrophobicContact CG2-CG2 4.3Å
88	K	98.9	Very high	98.7	Very high	48 Å²	48	25.8 Å²	25.8	21%	0.209	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.8	168.8	-61.3	174	-166.8	147.8	0	109.6	F90 L140 L172 E173 V175	K88-F90 HydrophobicContact CB-CD2 4.24Å; K88-F90 HydrophobicContact CB-CE1 4.47Å; K88-F90 HydrophobicContact CB-CE2 3.5Å; K88-F90 HydrophobicContact CB-CZ 3.65Å; K88-F90 HydrophobicContact CD-CE1 4.39Å; K88-F90 HydrophobicContact CD-CE2 4.16Å; K88-F90 HydrophobicContact CD-CZ 3.56Å; K88-F90 HydrophobicContact CG-CZ 4.28Å; K88-L140 CarbonylContact C-O 3.06Å; K88-L140 WeakPolarHBondContact CA-O 3.32Å; K88-L172 WeakPolarHBondContact O-CA 3.36Å; K88-E173 HydrophobicContact CB-CB 4.4Å; K88-E173 PolarHBondContact N-O 3.13Å; K88-E173 IonicContact NZ-OE1 3.74Å; K88-E173 PolarHBondContact NZ-OE1 3.18Å; K88-E173 PolarHBondContact O-N 2.89Å; K88-V175 HydrophobicContact CD-CG2 4.14Å; K88-V175 HydrophobicContact CG-CG2 3.73Å
89	I	98.9	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.9	173.9	-48.4	-172.4	0	0	0	109.2	R94 L97 M98 H139 L140 V142 M156 G171 L172	I89-R94 HydrophobicContact CB-CB 4.37Å; I89-R94 HydrophobicContact CG2-CB 3.78Å; I89-R94 WeakPolarHBondContact O-CD 3.45Å; I89-L97 HydrophobicContact CD1-CD2 4.01Å; I89-L97 HydrophobicContact CG2-CD2 4.29Å; I89-M98 HydrophobicContact CD1-CE 3.16Å; I89-M98 HydrophobicContact CG1-CE 4.41Å; I89-H139 CarbonylContact O-C 3.51Å; I89-H139 VanDerWaalsContact O-CA 3.25Å; I89-H139 WeakPolarHBondContact O-CA 3.42Å; I89-H139 WeakPolarHBondContact O-CB 3.33Å; I89-L140 HydrophobicContact CB-CB 4.18Å; I89-L140 PolarHBondContact N-O 2.83Å; I89-L140 PolarHBondContact O-N 3.49Å; I89-V142 HydrophobicContact CD1-CG2 4.37Å; I89-M156 HydrophobicContact CD1-SD 4.35Å; I89-G171 CarbonylContact C-O 3.54Å; I89-G171 VanDerWaalsContact CA-O 3.3Å; I89-G171 WeakPolarHBondContact CA-O 3.25Å; I89-L172 HydrophobicContact CG1-CD1 3.92Å
90	F	98.7	Very high	98.6	Very high	68 Å²	68	27.5 Å²	27.5	30%	0.298	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	175.9	-176.8	-60.2	-85.1	0	0	0	111.7	K88 H139 V170 G171 E173	K88-F90 HydrophobicContact CB-CD2 4.24Å; K88-F90 HydrophobicContact CB-CE1 4.47Å; K88-F90 HydrophobicContact CB-CE2 3.5Å; K88-F90 HydrophobicContact CB-CZ 3.65Å; K88-F90 HydrophobicContact CD-CE1 4.39Å; K88-F90 HydrophobicContact CD-CE2 4.16Å; K88-F90 HydrophobicContact CD-CZ 3.56Å; K88-F90 HydrophobicContact CG-CZ 4.28Å; F90-H139 HydrophobicContact CD1-CB 3.53Å; F90-H139 HydrophobicContact CE1-CB 3.63Å; F90-H139 AromaticContact CE1-CG 3.93Å; F90-H139 HydrophobicContact CG-CB 4.21Å; F90-H139 HydrophobicContact CZ-CB 4.38Å; F90-V170 VanDerWaalsContact O-CA 3.31Å; F90-V170 WeakPolarHBondContact O-CA 3.17Å; F90-G171 PolarHBondContact N-O 3.22Å; F90-G171 PolarHBondContact O-N 3.07Å; F90-G171 VanDerWaalsContact O-N 3.1Å; F90-E173 HydrophobicContact CD2-CB 4.48Å; F90-E173 HydrophobicContact CE2-CB 3.66Å; F90-E173 WeakPolarHBondContact CE2-OE2 3.23Å; F90-E173 WeakPolarHBondContact CZ-OE2 3.42Å
91	G	98.3	Very high	98.6	Very high	13 Å²	13	27 Å²	27	13%	0.134	13%	0.131	C	C	.	.	S	Bend	trans	91.7	158.6	176.2	0	0	0	0	0	112.8	D93 R94 D169	G91-D93 PolarHBondContact O-N 2.87Å; G91-R94 WeakPolarHBondContact O-CB 3.23Å; G91-R94 WeakPolarHBondContact O-CD 3.47Å; G91-R94 VanDerWaalsContact O-CG 3.22Å; G91-R94 WeakPolarHBondContact O-CG 3.45Å; G91-R94 PolarHBondContact O-N 3.17Å; G91-R94 PolarHBondContact O-NH1 3.02Å; G91-D169 CarbonylContact C-O 3.37Å; G91-D169 VanDerWaalsContact CA-O 3.27Å; G91-D169 WeakPolarHBondContact CA-O 3.45Å; G91-D169 WeakPolarHBondContact CA-OD1 2.93Å; G91-D169 VanDerWaalsContact CA-OD2 3.29Å; G91-D169 WeakPolarHBondContact CA-OD2 3.11Å
92	H	97.9	Very high	98.6	Very high	124 Å²	124	26.9 Å²	26.9	57%	0.574	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.9	-178.5	74.5	-54.4	0	0	0	112.8	D169	H92-D169 VanDerWaalsContact CE1-CB 3.46Å; H92-D169 WeakPolarHBondContact CE1-CB 3.39Å; H92-D169 PolarHBondContact CE1-N 2.81Å; H92-D169 VanDerWaalsContact CE1-N 3.31Å; H92-D169 IonicContact CE1-OD2 3.63Å; H92-D169 IonicContact CG-OD2 3.59Å; H92-D169 PolarHBondContact N-O 3.34Å; H92-D169 PolarHBondContact N-OD2 2.8Å; H92-D169 WeakPolarHBondContact ND1-CB 3.47Å; H92-D169 PolarHBondContact ND1-O 3.49Å; H92-D169 IonicContact ND1-OD2 2.74Å; H92-D169 PolarHBondContact ND1-OD2 3.29Å
93	D	98.7	Very high	98.7	Very high	27 Å²	27	26.4 Å²	26.4	14%	0.144	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	6.6	-179	-78.6	-48.9	0	0	0	113.6	G91 V95 K96 L97 S168 D169 V170	G91-D93 PolarHBondContact O-N 2.87Å; D93-V95 VanDerWaalsContact C-N 3.25Å; D93-V95 PolarHBondContact O-N 3.36Å; D93-V95 VanDerWaalsContact O-N 3.13Å; D93-K96 WeakPolarHBondContact O-CB 3.49Å; D93-K96 PolarHBondContact O-N 2.9Å; D93-L97 PolarHBondContact O-N 3.36Å; D93-S168 VanDerWaalsContact OD2-CA 3.26Å; D93-S168 WeakPolarHBondContact OD2-CA 3.15Å; D93-S168 WeakPolarHBondContact OD2-CB 3.45Å; D93-S168 PolarHBondContact OD2-OG 2.92Å; D93-D169 PolarHBondContact N-O 3.48Å; D93-D169 PolarHBondContact OD2-N 3.08Å; D93-V170 HydrophobicContact CB-CG1 3.57Å
94	R	98.8	Very high	98.7	Very high	51 Å²	51	26.1 Å²	26.1	19%	0.192	13%	0.126	C	C	.	.	H	α-helix	trans	-52.1	-38.8	-176.5	64.4	-170.4	176.4	-82.4	2.3	114.5	I89 G91 M98 G138 L140	I89-R94 HydrophobicContact CB-CB 4.37Å; I89-R94 HydrophobicContact CG2-CB 3.78Å; I89-R94 WeakPolarHBondContact O-CD 3.45Å; G91-R94 WeakPolarHBondContact O-CB 3.23Å; G91-R94 WeakPolarHBondContact O-CD 3.47Å; G91-R94 VanDerWaalsContact O-CG 3.22Å; G91-R94 WeakPolarHBondContact O-CG 3.45Å; G91-R94 PolarHBondContact O-N 3.17Å; G91-R94 PolarHBondContact O-NH1 3.02Å; R94-M98 WeakPolarHBondContact O-CB 3.29Å; R94-M98 PolarHBondContact O-N 2.83Å; R94-G138 VanDerWaalsContact CZ-O 3.3Å; R94-G138 PolarHBondContact NE-O 3.41Å; R94-L140 HydrophobicContact CB-CD1 4.4Å; R94-L140 HydrophobicContact CB-CG 4.33Å; R94-L140 HydrophobicContact CG-CD1 4.43Å; R94-L140 HydrophobicContact CG-CG 4.06Å; R94-L140 WeakPolarHBondContact O-CD1 3.43Å
95	V	98.9	Very high	98.7	Very high	30 Å²	30	26.8 Å²	26.8	18%	0.182	13%	0.13	C	C	.	.	H	α-helix	trans	-67.6	-45.8	178.5	173.6	0	0	0	0	110.2	D93 L97 M98 E99 I106 A107 L140	D93-V95 VanDerWaalsContact C-N 3.25Å; D93-V95 PolarHBondContact O-N 3.36Å; D93-V95 VanDerWaalsContact O-N 3.13Å; V95-L97 VanDerWaalsContact C-N 3.32Å; V95-L97 PolarHBondContact O-N 3.16Å; V95-M98 PolarHBondContact O-N 3.38Å; V95-E99 HydrophobicContact CG1-CG 4.33Å; V95-E99 WeakPolarHBondContact O-CB 3.43Å; V95-E99 WeakPolarHBondContact O-CG 3.31Å; V95-E99 PolarHBondContact O-N 2.79Å; V95-I106 HydrophobicContact CG1-CB 4.16Å; V95-I106 HydrophobicContact CG1-CG2 4.15Å; V95-I106 HydrophobicContact CG2-CG2 4.42Å; V95-A107 HydrophobicContact CG1-CB 3.8Å; V95-L140 HydrophobicContact CG2-CD2 4.43Å
96	K	98.8	Very high	98.7	Very high	121 Å²	121	26.7 Å²	26.7	53%	0.526	13%	0.129	S	C	.	.	H	α-helix	trans	-62.2	-40.4	178.7	-172.8	-173.5	172.2	-173.7	0	111.4	D93 S100 F163	D93-K96 WeakPolarHBondContact O-CB 3.49Å; D93-K96 PolarHBondContact O-N 2.9Å; K96-S100 PolarHBondContact O-N 2.72Å; K96-S100 VanDerWaalsContact O-N 3.11Å; K96-F163 HydrophobicContact CB-CE1 4.14Å; K96-F163 HydrophobicContact CD-CE1 3.89Å; K96-F163 HydrophobicContact CG-CE1 3.76Å; K96-F163 HydrophobicContact CG-CZ 4.2Å
97	L	98.8	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-52.9	173.7	-179.8	152.5	0	0	0	111.2	I89 D93 V95 E99 S100 I101 K159 V160 F163 V170	I89-L97 HydrophobicContact CD1-CD2 4.01Å; I89-L97 HydrophobicContact CG2-CD2 4.29Å; D93-L97 PolarHBondContact O-N 3.36Å; V95-L97 VanDerWaalsContact C-N 3.32Å; V95-L97 PolarHBondContact O-N 3.16Å; L97-E99 VanDerWaalsContact C-N 3.34Å; L97-E99 PolarHBondContact O-N 3.14Å; L97-S100 WeakPolarHBondContact O-CB 3.17Å; L97-S100 PolarHBondContact O-N 3.45Å; L97-S100 VanDerWaalsContact O-N 3.08Å; L97-S100 PolarHBondContact O-OG 2.83Å; L97-I101 HydrophobicContact CD2-CD1 4.4Å; L97-K159 HydrophobicContact CG-CB 4.36Å; L97-V160 HydrophobicContact CD1-CB 4.2Å; L97-V160 HydrophobicContact CD1-CG2 3.52Å; L97-F163 HydrophobicContact CB-CD1 4.2Å; L97-F163 HydrophobicContact CB-CE1 4.09Å; L97-F163 HydrophobicContact CB-CE2 4.5Å; L97-F163 HydrophobicContact CB-CG 4.45Å; L97-F163 HydrophobicContact CB-CZ 4.25Å; L97-F163 HydrophobicContact CD1-CB 4.41Å; L97-F163 HydrophobicContact CD1-CD2 4.46Å; L97-F163 HydrophobicContact CD1-CG 4.31Å; L97-F163 HydrophobicContact CG-CD2 4.48Å; L97-V170 HydrophobicContact CB-CG1 4.11Å; L97-V170 HydrophobicContact CD1-CB 3.93Å; L97-V170 HydrophobicContact CD1-CG1 4.02Å; L97-V170 HydrophobicContact CD1-CG2 3.84Å
98	M	98.9	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-45.1	-178.6	178.3	56.2	57.1	0	0	111.2	I89 R94 V95 S100 I101 V102 I106 F119 L130 V132 L140 V142	I89-M98 HydrophobicContact CD1-CE 3.16Å; I89-M98 HydrophobicContact CG1-CE 4.41Å; R94-M98 WeakPolarHBondContact O-CB 3.29Å; R94-M98 PolarHBondContact O-N 2.83Å; V95-M98 PolarHBondContact O-N 3.38Å; M98-S100 PolarHBondContact O-N 2.87Å; M98-I101 WeakPolarHBondContact O-CG1 3.1Å; M98-I101 PolarHBondContact O-N 3.44Å; M98-I101 HydrophobicContact SD-CD1 4.49Å; M98-I101 HydrophobicContact SD-CG1 4.34Å; M98-V102 HydrophobicContact CG-CG1 4.41Å; M98-V102 HydrophobicContact CG-CG2 3.93Å; M98-V102 WeakPolarHBondContact O-CG2 3.24Å; M98-V102 PolarHBondContact O-N 2.94Å; M98-V102 HydrophobicContact SD-CB 4.34Å; M98-V102 HydrophobicContact SD-CG1 3.4Å; M98-V102 WeakPolarHBondContact SD-CG1 3.4Å; M98-V102 HydrophobicContact SD-CG2 4.03Å; M98-I106 HydrophobicContact CG-CD1 4.43Å; M98-I106 HydrophobicContact CG-CG1 3.94Å; M98-I106 HydrophobicContact CG-CG2 4.4Å; M98-F119 HydrophobicContact SD-CE1 4.1Å; M98-L130 HydrophobicContact SD-CD1 4.32Å; M98-V132 HydrophobicContact CG-CG2 4.23Å; M98-L140 HydrophobicContact CB-CD1 3.55Å; M98-L140 HydrophobicContact CG-CD1 3.98Å; M98-V142 HydrophobicContact CE-CG2 3.61Å
99	E	98.9	Very high	98.7	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-26.5	177.4	-73.3	-170.2	166.5	0	0	113.3	V95 L97 I101 I106 A107 R295 R296	V95-E99 HydrophobicContact CG1-CG 4.33Å; V95-E99 WeakPolarHBondContact O-CB 3.43Å; V95-E99 WeakPolarHBondContact O-CG 3.31Å; V95-E99 PolarHBondContact O-N 2.79Å; L97-E99 VanDerWaalsContact C-N 3.34Å; L97-E99 PolarHBondContact O-N 3.14Å; E99-I101 PolarHBondContact O-N 3.06Å; E99-I106 HydrophobicContact CG-CB 3.69Å; E99-I106 HydrophobicContact CG-CG1 3.65Å; E99-I106 WeakPolarHBondContact OE1-CA 3.42Å; E99-I106 PolarHBondContact OE1-N 3.05Å; E99-A107 PolarHBondContact OE1-N 2.87Å; E99-R295 IonicContact OE1-CZ 2.67Å; E99-R295 IonicContact OE1-NH2 2.72Å; E99-R295 PolarHBondContact OE1-NH2 3.41Å; E99-R295 IonicContact OE2-CZ 2.86Å; E99-R295 IonicContact OE2-NH1 3.87Å; E99-R295 IonicContact OE2-NH2 3.89Å; E99-R295 PolarHBondContact OE2-NH2 2.89Å; E99-R296 PolarHBondContact O-NH1 3.27Å; E99-R296 PolarHBondContact O-NH2 2.89Å
100	S	98.8	Very high	98.7	Very high	29 Å²	29	40.8 Å²	40.8	20%	0.203	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.9	174.4	80.2	0	0	0	0	114.2	K96 L97 M98 P303	K96-S100 PolarHBondContact O-N 2.72Å; K96-S100 VanDerWaalsContact O-N 3.11Å; L97-S100 WeakPolarHBondContact O-CB 3.17Å; L97-S100 PolarHBondContact O-N 3.45Å; L97-S100 VanDerWaalsContact O-N 3.08Å; L97-S100 PolarHBondContact O-OG 2.83Å; M98-S100 PolarHBondContact O-N 2.87Å; S100-P303 WeakPolarHBondContact O-CD 3.31Å; S100-P303 VanDerWaalsContact O-CG 3.24Å; S100-P303 WeakPolarHBondContact O-CG 3.25Å
101	I	98.7	Very high	98.7	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-16.1	-178.8	52.4	179.6	0	0	0	114.3	L97 M98 E99 F119 T120 L155 M156 K159	L97-I101 HydrophobicContact CD2-CD1 4.4Å; M98-I101 WeakPolarHBondContact O-CG1 3.1Å; M98-I101 PolarHBondContact O-N 3.44Å; M98-I101 HydrophobicContact SD-CD1 4.49Å; M98-I101 HydrophobicContact SD-CG1 4.34Å; E99-I101 PolarHBondContact O-N 3.06Å; I101-F119 HydrophobicContact CB-CD1 3.98Å; I101-F119 HydrophobicContact CB-CE1 4.24Å; I101-F119 HydrophobicContact CD1-CD1 4.02Å; I101-F119 HydrophobicContact CD1-CE1 3.41Å; I101-F119 VanDerWaalsContact CD1-CE1 3.41Å; I101-F119 HydrophobicContact CD1-CZ 4.18Å; I101-F119 HydrophobicContact CG1-CD1 3.94Å; I101-F119 HydrophobicContact CG1-CE1 3.69Å; I101-F119 WeakPolarHBondContact O-CA 3.31Å; I101-T120 PolarHBondContact O-N 3.39Å; I101-L155 HydrophobicContact CG2-CD1 4.19Å; I101-L155 HydrophobicContact CG2-CG 4.43Å; I101-M156 HydrophobicContact CD1-CG 4.14Å; I101-K159 HydrophobicContact CG2-CD 3.86Å; I101-K159 HydrophobicContact CG2-CG 3.59Å
102	V	98.9	Very high	98.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-116.7	162	178.4	-54	0	0	0	0	114.5	M98 I106 S117 L118 F119 L130 R296	M98-V102 HydrophobicContact CG-CG1 4.41Å; M98-V102 HydrophobicContact CG-CG2 3.93Å; M98-V102 WeakPolarHBondContact O-CG2 3.24Å; M98-V102 PolarHBondContact O-N 2.94Å; M98-V102 HydrophobicContact SD-CB 4.34Å; M98-V102 HydrophobicContact SD-CG1 3.4Å; M98-V102 WeakPolarHBondContact SD-CG1 3.4Å; M98-V102 HydrophobicContact SD-CG2 4.03Å; V102-I106 HydrophobicContact CG2-CD1 3.91Å; V102-I106 HydrophobicContact CG2-CG1 3.8Å; V102-S117 VanDerWaalsContact CB-OG 3.32Å; V102-S117 WeakPolarHBondContact CB-OG 3.31Å; V102-S117 WeakPolarHBondContact CG2-OG 3.35Å; V102-L118 VanDerWaalsContact CA-O 3.24Å; V102-L118 WeakPolarHBondContact CA-O 3.26Å; V102-L118 WeakPolarHBondContact CB-O 3.45Å; V102-F119 HydrophobicContact CG1-CD1 3.42Å; V102-F119 VanDerWaalsContact CG1-CD1 3.42Å; V102-F119 HydrophobicContact CG1-CE1 3.49Å; V102-F119 VanDerWaalsContact CG1-CE1 3.49Å; V102-F119 HydrophobicContact CG1-CG 4.49Å; V102-L130 HydrophobicContact CG1-CD1 4.33Å; V102-L130 HydrophobicContact CG1-CD2 4.15Å; V102-R296 PolarHBondContact O-NH1 3.5Å
103	V	98.9	Very high	98.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-89.3	-12.9	-177.4	-57.8	0	0	0	0	115.8	L118 T120 P283 L292 G293 R296 F302	V103-L118 HydrophobicContact CG2-CB 3.94Å; V103-L118 HydrophobicContact CG2-CD1 4.31Å; V103-L118 HydrophobicContact CG2-CG 4.23Å; V103-L118 PolarHBondContact N-O 2.74Å; V103-T120 HydrophobicContact CG1-CG2 3.61Å; V103-P283 HydrophobicContact CG1-CG 4.46Å; V103-L292 HydrophobicContact CB-CD2 3.54Å; V103-L292 HydrophobicContact CG1-CD2 3.88Å; V103-L292 HydrophobicContact CG2-CD2 3.83Å; V103-G293 PolarHBondContact O-N 3.46Å; V103-R296 VanDerWaalsContact O-CG 3.29Å; V103-R296 WeakPolarHBondContact O-CG 3.4Å; V103-F302 HydrophobicContact CB-CD2 4.44Å; V103-F302 HydrophobicContact CG1-CD2 3.79Å; V103-F302 HydrophobicContact CG1-CE2 4.1Å; V103-F302 HydrophobicContact CG1-CG 4.48Å
104	G	98.8	Very high	98.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-79.3	158.7	-177	0	0	0	0	0	114.8	I106 S117 T291 R296	G104-I106 PolarHBondContact O-N 2.81Å; G104-S117 PolarHBondContact N-OG 2.67Å; G104-T291 WeakPolarHBondContact CA-O 3.08Å; G104-R296 WeakPolarHBondContact O-CD 3.43Å; G104-R296 VanDerWaalsContact O-CG 3.29Å; G104-R296 WeakPolarHBondContact O-CG 3.42Å; G104-R296 PolarHBondContact O-NH1 3.42Å
105	D	98.6	Very high	98.7	Very high	27 Å²	27	38.6 Å²	38.6	14%	0.144	20%	0.203	C	C	.	.			trans	-82	85.9	169.6	-78.6	-23.1	0	0	0	109.3	E108 G293 K294 R295 R296	D105-E108 HydrophobicContact CB-CB 4.16Å; D105-E108 HydrophobicContact CB-CG 3.89Å; D105-G293 VanDerWaalsContact OD2-CA 3.25Å; D105-G293 WeakPolarHBondContact OD2-CA 3.26Å; D105-K294 PolarHBondContact OD2-N 3.48Å; D105-R295 WeakPolarHBondContact OD1-CB 3.26Å; D105-R295 PolarHBondContact OD1-N 2.94Å; D105-R295 IonicContact OD1-NH2 3.59Å; D105-R295 PolarHBondContact OD2-N 2.83Å; D105-R296 WeakPolarHBondContact OD1-CD 3.43Å; D105-R296 WeakPolarHBondContact OD1-CG 3.03Å; D105-R296 PolarHBondContact OD1-N 2.89Å
106	I	98.8	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.			trans	-75.5	-35.9	-175.6	-51.6	-54.8	0	0	0	111.1	V95 M98 E99 V102 G104 E108 L109 I115 V132 L140	V95-I106 HydrophobicContact CG1-CB 4.16Å; V95-I106 HydrophobicContact CG1-CG2 4.15Å; V95-I106 HydrophobicContact CG2-CG2 4.42Å; M98-I106 HydrophobicContact CG-CD1 4.43Å; M98-I106 HydrophobicContact CG-CG1 3.94Å; M98-I106 HydrophobicContact CG-CG2 4.4Å; E99-I106 HydrophobicContact CG-CB 3.69Å; E99-I106 HydrophobicContact CG-CG1 3.65Å; E99-I106 WeakPolarHBondContact OE1-CA 3.42Å; E99-I106 PolarHBondContact OE1-N 3.05Å; V102-I106 HydrophobicContact CG2-CD1 3.91Å; V102-I106 HydrophobicContact CG2-CG1 3.8Å; G104-I106 PolarHBondContact O-N 2.81Å; I106-E108 PolarHBondContact O-N 3.03Å; I106-L109 HydrophobicContact CD1-CD1 4.32Å; I106-L109 HydrophobicContact CG2-CD1 4.15Å; I106-L109 WeakPolarHBondContact O-CB 3.21Å; I106-L109 WeakPolarHBondContact O-CG 3.28Å; I106-L109 PolarHBondContact O-N 3.16Å; I106-L109 VanDerWaalsContact O-N 3.12Å; I106-I115 HydrophobicContact CD1-CD1 3.89Å; I106-I115 HydrophobicContact CD1-CG1 4.36Å; I106-V132 HydrophobicContact CD1-CG1 3.51Å; I106-L140 HydrophobicContact CG2-CD1 4.12Å; I106-L140 HydrophobicContact CG2-CD2 4.17Å
107	A	98.5	Very high	98.8	Very high	55 Å²	55	33.3 Å²	33.3	46%	0.455	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26	177.2	0	0	0	0	0	113.6	V95 E99 L109	V95-A107 HydrophobicContact CG1-CB 3.8Å; E99-A107 PolarHBondContact OE1-N 2.87Å; A107-L109 VanDerWaalsContact C-N 3.34Å
108	E	98.4	Very high	98.8	Very high	131 Å²	131	33.3 Å²	33.3	61%	0.612	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-8.8	-179.6	-60.9	-63.9	152.1	0	0	112.8	D105 I106 K110	D105-E108 HydrophobicContact CB-CB 4.16Å; D105-E108 HydrophobicContact CB-CG 3.89Å; I106-E108 PolarHBondContact O-N 3.03Å; E108-K110 PolarHBondContact O-N 3.28Å
109	L	98.7	Very high	98.8	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.063	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-66.9	125.1	178.3	-63.6	178.1	0	0	0	110.1	I106 A107 Q113 I115 N134	I106-L109 HydrophobicContact CD1-CD1 4.32Å; I106-L109 HydrophobicContact CG2-CD1 4.15Å; I106-L109 WeakPolarHBondContact O-CB 3.21Å; I106-L109 WeakPolarHBondContact O-CG 3.28Å; I106-L109 PolarHBondContact O-N 3.16Å; I106-L109 VanDerWaalsContact O-N 3.12Å; A107-L109 VanDerWaalsContact C-N 3.34Å; L109-Q113 HydrophobicContact CD2-CG 4.22Å; L109-I115 HydrophobicContact CD1-CG1 4.22Å; L109-I115 HydrophobicContact CD2-CB 4.34Å; L109-I115 HydrophobicContact CD2-CD1 4.29Å; L109-I115 HydrophobicContact CD2-CG1 4.06Å; L109-I115 HydrophobicContact CD2-CG2 3.57Å; L109-N134 HydrophobicContact CB-CB 3.62Å; L109-N134 HydrophobicContact CD1-CB 4.15Å; L109-N134 PolarHBondContact O-ND2 2.95Å
110	K	98.6	Very high	98.8	Very high	148 Å²	148	32.7 Å²	32.7	64%	0.643	18%	0.177	S	C	*	.	P	Polyproline II helix	trans	-65.3	158.8	171	-63.5	179	-177	179.2	0	110.4	E108 N112 Q113	E108-K110 PolarHBondContact O-N 3.28Å; K110-N112 PolarHBondContact O-N 3.02Å; K110-Q113 HydrophobicContact CB-CB 4.16Å; K110-Q113 WeakPolarHBondContact O-CB 3.45Å; K110-Q113 PolarHBondContact O-N 3.42Å
111	P	98.8	Very high	98.8	Very high	99 Å²	99	33 Å²	33	64%	0.643	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	131.2	169.8	-27.5	35.7	0	0	0	111.6	Q113 N134	P111-Q113 PolarHBondContact O-N 3.24Å; P111-N134 CarbonylContact C-O 3.57Å
112	N	98.8	Very high	98.7	Very high	32 Å²	32	39.9 Å²	39.9	17%	0.171	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	14.2	-174.5	-60	-45.8	0	0	0	117.1	K110 N134 S136 E137 T206 S207 R219	K110-N112 PolarHBondContact O-N 3.02Å; N112-N134 VanDerWaalsContact CA-O 3.23Å; N112-N134 WeakPolarHBondContact CA-O 3.31Å; N112-N134 PolarHBondContact N-O 3.27Å; N112-S136 WeakPolarHBondContact ND2-CB 3.47Å; N112-S136 PolarHBondContact ND2-OG 2.76Å; N112-S136 PolarHBondContact OD1-N 3.26Å; N112-S136 PolarHBondContact OD1-OG 2.83Å; N112-E137 PolarHBondContact OD1-OE2 3.45Å; N112-T206 CarbonylContact O-C 3.49Å; N112-T206 VanDerWaalsContact O-CA 3.26Å; N112-T206 WeakPolarHBondContact O-CA 3.43Å; N112-S207 WeakPolarHBondContact CB-O 3.48Å; N112-S207 PolarHBondContact O-N 2.97Å; N112-S207 PolarHBondContact O-OG 3.28Å; N112-S207 VanDerWaalsContact O-OG 3.09Å; N112-R219 PolarHBondContact OD1-NH2 2.76Å
113	Q	98.9	Very high	98.7	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.7	171.4	-169.8	179.5	17	0	0	110.6	L109 K110 P111 T133 N134	L109-Q113 HydrophobicContact CD2-CG 4.22Å; K110-Q113 HydrophobicContact CB-CB 4.16Å; K110-Q113 WeakPolarHBondContact O-CB 3.45Å; K110-Q113 PolarHBondContact O-N 3.42Å; P111-Q113 PolarHBondContact O-N 3.24Å; Q113-T133 WeakPolarHBondContact O-CA 3.23Å; Q113-N134 PolarHBondContact O-N 3.42Å
114	G	98.8	Very high	98.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	171.2	170.9	0	0	0	0	0	113.4	V132 M205	G114-V132 CarbonylContact C-O 3.57Å; G114-V132 WeakPolarHBondContact CA-O 3.32Å; G114-M205 PolarHBondContact N-O 2.87Å; G114-M205 WeakPolarHBondContact O-CB 3.32Å
115	I	98.7	Very high	98.7	Very high	42 Å²	42	43.4 Å²	43.4	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155	173	56.2	171.1	0	0	0	109.9	I106 L109 I131 V132	I106-I115 HydrophobicContact CD1-CD1 3.89Å; I106-I115 HydrophobicContact CD1-CG1 4.36Å; L109-I115 HydrophobicContact CD1-CG1 4.22Å; L109-I115 HydrophobicContact CD2-CB 4.34Å; L109-I115 HydrophobicContact CD2-CD1 4.29Å; L109-I115 HydrophobicContact CD2-CG1 4.06Å; L109-I115 HydrophobicContact CD2-CG2 3.57Å; I115-I131 WeakPolarHBondContact O-CA 3.42Å; I115-V132 HydrophobicContact CG1-CG1 4.02Å; I115-V132 PolarHBondContact N-O 3.07Å; I115-V132 PolarHBondContact O-N 2.82Å
116	L	98.9	Very high	98.7	Very high	39 Å²	39	42.1 Å²	42.1	20%	0.204	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.1	157.3	-179.3	73	0	0	0	108.3	D129 L130 W290 T291	L116-D129 HydrophobicContact CD1-CB 4.32Å; L116-L130 CarbonylContact C-O 3.51Å; L116-L130 WeakPolarHBondContact CA-O 3.35Å; L116-W290 HydrophobicContact CB-CH2 3.77Å; L116-W290 HydrophobicContact CB-CZ3 4.36Å; L116-W290 HydrophobicContact CD2-CH2 3.54Å; L116-W290 HydrophobicContact CD2-CZ2 3.61Å; L116-W290 HydrophobicContact CG-CH2 4.23Å; L116-T291 HydrophobicContact CD2-CG2 4.28Å
117	S	98.9	Very high	98.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	174.4	174	-155.3	0	0	0	0	109.8	V102 G104 L130	V102-S117 VanDerWaalsContact CB-OG 3.32Å; V102-S117 WeakPolarHBondContact CB-OG 3.31Å; V102-S117 WeakPolarHBondContact CG2-OG 3.35Å; G104-S117 PolarHBondContact N-OG 2.67Å; S117-L130 PolarHBondContact N-O 3.23Å; S117-L130 PolarHBondContact O-N 2.99Å
118	L	98.9	Very high	98.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.8	-175.3	-52.9	171.5	0	0	0	108.4	V102 V103 I126 D128 D129 P283 L288 T291	V102-L118 VanDerWaalsContact CA-O 3.24Å; V102-L118 WeakPolarHBondContact CA-O 3.26Å; V102-L118 WeakPolarHBondContact CB-O 3.45Å; V103-L118 HydrophobicContact CG2-CB 3.94Å; V103-L118 HydrophobicContact CG2-CD1 4.31Å; V103-L118 HydrophobicContact CG2-CG 4.23Å; V103-L118 PolarHBondContact N-O 2.74Å; L118-I126 HydrophobicContact CB-CG2 4.33Å; L118-I126 HydrophobicContact CD1-CD1 4Å; L118-I126 HydrophobicContact CD1-CG1 4.23Å; L118-I126 HydrophobicContact CD2-CG2 4.28Å; L118-D128 WeakPolarHBondContact CA-O 3.45Å; L118-D129 HydrophobicContact CD2-CB 3.5Å; L118-P283 HydrophobicContact CD1-CB 3.77Å; L118-P283 HydrophobicContact CD1-CG 3.72Å; L118-L288 HydrophobicContact CD1-CB 4.12Å; L118-L288 HydrophobicContact CD1-CD1 3.92Å; L118-L288 HydrophobicContact CD2-CD1 4.04Å; L118-T291 WeakPolarHBondContact CD1-OG1 3.4Å
119	F	98.9	Very high	98.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.5	160.4	-68.4	-44.4	0	0	0	108.5	M98 I101 V102 I126 L127 D128 L130 D152 L155 M156	M98-F119 HydrophobicContact SD-CE1 4.1Å; I101-F119 HydrophobicContact CB-CD1 3.98Å; I101-F119 HydrophobicContact CB-CE1 4.24Å; I101-F119 HydrophobicContact CD1-CD1 4.02Å; I101-F119 HydrophobicContact CD1-CE1 3.41Å; I101-F119 VanDerWaalsContact CD1-CE1 3.41Å; I101-F119 HydrophobicContact CD1-CZ 4.18Å; I101-F119 HydrophobicContact CG1-CD1 3.94Å; I101-F119 HydrophobicContact CG1-CE1 3.69Å; I101-F119 WeakPolarHBondContact O-CA 3.31Å; V102-F119 HydrophobicContact CG1-CD1 3.42Å; V102-F119 VanDerWaalsContact CG1-CD1 3.42Å; V102-F119 HydrophobicContact CG1-CE1 3.49Å; V102-F119 VanDerWaalsContact CG1-CE1 3.49Å; V102-F119 HydrophobicContact CG1-CG 4.49Å; F119-I126 CarbonylContact O-C 3.52Å; F119-I126 WeakPolarHBondContact O-CA 3.37Å; F119-L127 HydrophobicContact CB-CB 3.8Å; F119-L127 PolarHBondContact O-N 3.29Å; F119-D128 HydrophobicContact CD2-CB 4.16Å; F119-D128 PolarHBondContact N-O 3.4Å; F119-L130 HydrophobicContact CB-CD2 4.48Å; F119-L130 HydrophobicContact CD1-CD2 3.94Å; F119-L130 HydrophobicContact CD2-CD2 3.73Å; F119-L130 HydrophobicContact CE1-CD1 4.06Å; F119-L130 HydrophobicContact CE1-CD2 4Å; F119-L130 HydrophobicContact CE2-CD1 4.25Å; F119-L130 HydrophobicContact CE2-CD2 3.83Å; F119-L130 HydrophobicContact CG-CD2 3.77Å; F119-L130 HydrophobicContact CZ-CD1 3.77Å; F119-L130 HydrophobicContact CZ-CD2 3.95Å; F119-L130 HydrophobicContact CZ-CG 4.47Å; F119-D152 HydrophobicContact CE2-CB 4.26Å; F119-L155 HydrophobicContact CB-CD2 4.04Å; F119-L155 HydrophobicContact CD1-CD2 3.95Å; F119-L155 HydrophobicContact CD2-CD2 3.97Å; F119-L155 HydrophobicContact CE1-CD2 4.44Å; F119-L155 HydrophobicContact CE2-CD2 4.43Å; F119-L155 HydrophobicContact CG-CD2 3.73Å; F119-M156 HydrophobicContact CZ-CG 4.1Å; F119-M156 HydrophobicContact CZ-SD 4.16Å
120	T	98.9	Very high	98.8	Very high	5 Å²	5	35 Å²	35	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.8	176.4	52.9	0	0	0	0	112.2	I101 V103 G125 P283 P303 I308	I101-T120 PolarHBondContact O-N 3.39Å; V103-T120 HydrophobicContact CG1-CG2 3.61Å; T120-G125 CarbonylContact C-O 3.45Å; T120-G125 WeakPolarHBondContact CA-O 3.37Å; T120-G125 WeakPolarHBondContact CB-O 3.16Å; T120-P283 HydrophobicContact CG2-CG 4.05Å; T120-P303 VanDerWaalsContact O-CB 3.28Å; T120-P303 WeakPolarHBondContact O-CB 3.31Å; T120-P303 PolarHBondContact OG1-O 2.99Å; T120-I308 HydrophobicContact CG2-CD1 4.14Å
121	N	98.8	Very high	98.8	Very high	34 Å²	34	29.6 Å²	29.6	18%	0.182	17%	0.167	C	C	.	.			trans	-99.2	173.7	171	66	32.2	0	0	0	111.4	A123 G124 G125 L127 E279 P303 G304	N121-A123 PolarHBondContact O-N 3.4Å; N121-A123 WeakPolarHBondContact OD1-CA 3.46Å; N121-A123 WeakPolarHBondContact OD1-CB 3.45Å; N121-A123 PolarHBondContact OD1-N 2.99Å; N121-G124 WeakPolarHBondContact O-CA 3.37Å; N121-G124 PolarHBondContact O-N 3.14Å; N121-G124 PolarHBondContact OD1-N 3.35Å; N121-G125 PolarHBondContact N-O 3.14Å; N121-G125 PolarHBondContact OD1-N 2.81Å; N121-L127 HydrophobicContact CB-CD1 4.28Å; N121-L127 HydrophobicContact CB-CD2 3.98Å; N121-L127 HydrophobicContact CB-CG 4.13Å; N121-E279 PolarHBondContact ND2-O 2.84Å; N121-P303 CarbonylContact O-C 3.13Å; N121-G304 WeakPolarHBondContact O-CA 3.41Å; N121-G304 PolarHBondContact O-N 3.31Å
122	E	98.5	Very high	98.8	Very high	148 Å²	148	24.9 Å²	24.9	69%	0.692	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.1	-180	-67	-57.9	154.3	0	0	114.2	G124 G304	E122-G124 PolarHBondContact O-N 3.21Å; E122-G304 WeakPolarHBondContact O-CA 3.36Å
123	A	98.4	Very high	98.8	Very high	71 Å²	71	23.4 Å²	23.4	59%	0.587	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.3	172	0	0	0	0	0	112.6	N121 G125	N121-A123 PolarHBondContact O-N 3.4Å; N121-A123 WeakPolarHBondContact OD1-CA 3.46Å; N121-A123 WeakPolarHBondContact OD1-CB 3.45Å; N121-A123 PolarHBondContact OD1-N 2.99Å; A123-G125 VanDerWaalsContact C-N 3.33Å
124	G	98.4	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	83.9	3.5	-179.3	0	0	0	0	0	114.6	N121 E122 T282 P283	N121-G124 WeakPolarHBondContact O-CA 3.37Å; N121-G124 PolarHBondContact O-N 3.14Å; N121-G124 PolarHBondContact OD1-N 3.35Å; E122-G124 PolarHBondContact O-N 3.21Å; G124-T282 VanDerWaalsContact O-CA 3.29Å; G124-T282 WeakPolarHBondContact O-CA 3.41Å; G124-P283 WeakPolarHBondContact O-CD 3.47Å
125	G	98.7	Very high	98.8	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.031	12%	0.121	C	C	.	.			trans	-74.1	157.4	175.1	0	0	0	0	0	112.9	T120 N121 A123 E279 T281	T120-G125 CarbonylContact C-O 3.45Å; T120-G125 WeakPolarHBondContact CA-O 3.37Å; T120-G125 WeakPolarHBondContact CB-O 3.16Å; N121-G125 PolarHBondContact N-O 3.14Å; N121-G125 PolarHBondContact OD1-N 2.81Å; A123-G125 VanDerWaalsContact C-N 3.33Å; G125-E279 WeakPolarHBondContact CA-O 3.24Å; G125-T281 WeakPolarHBondContact CA-O 3.42Å
126	I	98.9	Very high	98.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.9	-177.6	-61.9	161.6	0	0	0	109.9	L118 F119 Y273 I277 D278 E279 T281 P283 L288	L118-I126 HydrophobicContact CB-CG2 4.33Å; L118-I126 HydrophobicContact CD1-CD1 4Å; L118-I126 HydrophobicContact CD1-CG1 4.23Å; L118-I126 HydrophobicContact CD2-CG2 4.28Å; F119-I126 CarbonylContact O-C 3.52Å; F119-I126 WeakPolarHBondContact O-CA 3.37Å; I126-Y273 HydrophobicContact CG2-CD2 4.29Å; I126-Y273 HydrophobicContact CG2-CE2 4.08Å; I126-Y273 WeakPolarHBondContact O-CE2 3.4Å; I126-Y273 PolarHBondContact O-OH 3.03Å; I126-I277 HydrophobicContact CD1-CB 3.92Å; I126-I277 HydrophobicContact CD1-CD1 4.34Å; I126-I277 HydrophobicContact CD1-CG2 3.9Å; I126-I277 HydrophobicContact CG2-CD1 4.31Å; I126-D278 PolarHBondContact N-O 3.07Å; I126-D278 VanDerWaalsContact N-O 3.09Å; I126-D278 CarbonylContact O-C 3.47Å; I126-E279 VanDerWaalsContact O-CA 3.3Å; I126-E279 WeakPolarHBondContact O-CA 3.5Å; I126-E279 PolarHBondContact O-N 3.47Å; I126-E279 VanDerWaalsContact O-N 3.09Å; I126-T281 WeakPolarHBondContact CG1-O 3.24Å; I126-T281 PolarHBondContact N-O 3.2Å; I126-T281 VanDerWaalsContact N-O 3.15Å; I126-P283 HydrophobicContact CD1-CG 4.41Å; I126-P283 HydrophobicContact CG1-CG 4.18Å; I126-L288 HydrophobicContact CD1-CD1 4.33Å
127	L	98.9	Very high	98.7	Very high	26 Å²	26	25.1 Å²	25.1	14%	0.136	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-37.7	176.5	-64.4	177.6	0	0	0	112.1	F119 N121 K151 L155 Y273 E279	F119-L127 HydrophobicContact CB-CB 3.8Å; F119-L127 PolarHBondContact O-N 3.29Å; N121-L127 HydrophobicContact CB-CD1 4.28Å; N121-L127 HydrophobicContact CB-CD2 3.98Å; N121-L127 HydrophobicContact CB-CG 4.13Å; L127-K151 WeakPolarHBondContact O-CE 3.35Å; L127-K151 PolarHBondContact O-NZ 3.13Å; L127-L155 HydrophobicContact CD1-CD2 4.05Å; L127-Y273 VanDerWaalsContact C-CE2 3.49Å; L127-Y273 VanDerWaalsContact O-CE2 3.28Å; L127-Y273 WeakPolarHBondContact O-CE2 3.4Å; L127-Y273 PolarHBondContact O-OH 3.31Å; L127-E279 HydrophobicContact CD2-CG 3.94Å
128	D	98.9	Very high	98.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	162.2	167.6	-158.4	30.5	0	0	0	109.2	L118 F119 S144 N145 C148 Y273	L118-D128 WeakPolarHBondContact CA-O 3.45Å; F119-D128 HydrophobicContact CD2-CB 4.16Å; F119-D128 PolarHBondContact N-O 3.4Å; D128-S144 WeakPolarHBondContact OD2-CB 3.39Å; D128-N145 VanDerWaalsContact CG-ND2 3.33Å; D128-N145 PolarHBondContact OD1-ND2 3.48Å; D128-N145 WeakPolarHBondContact OD2-CB 3.13Å; D128-N145 PolarHBondContact OD2-N 3.33Å; D128-N145 PolarHBondContact OD2-ND2 3.5Å; D128-C148 HydrophobicContact CB-CB 4.24Å; D128-C148 VanDerWaalsContact CG-SG 3.59Å; D128-C148 PolarHBondContact OD1-SG 2.75Å; D128-Y273 WeakPolarHBondContact OD1-CD1 3.33Å
129	D	98.8	Very high	98.6	Very high	19 Å²	19	27.5 Å²	27.5	10%	0.102	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.3	164.5	71.8	-50	0	0	0	111.6	L116 L118 N145 Y273 I277	L116-D129 HydrophobicContact CD1-CB 4.32Å; L118-D129 HydrophobicContact CD2-CB 3.5Å; D129-N145 PolarHBondContact O-ND2 3.23Å; D129-N145 PolarHBondContact OD1-ND2 2.84Å; D129-Y273 WeakPolarHBondContact OD1-CB 3.4Å; D129-I277 HydrophobicContact CB-CD1 4.08Å
130	L	98.9	Very high	98.6	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154.7	-172.6	63.1	145.6	0	0	0	112.2	M98 V102 L116 S117 F119 V132 V142 V143	M98-L130 HydrophobicContact SD-CD1 4.32Å; V102-L130 HydrophobicContact CG1-CD1 4.33Å; V102-L130 HydrophobicContact CG1-CD2 4.15Å; L116-L130 CarbonylContact C-O 3.51Å; L116-L130 WeakPolarHBondContact CA-O 3.35Å; S117-L130 PolarHBondContact N-O 3.23Å; S117-L130 PolarHBondContact O-N 2.99Å; F119-L130 HydrophobicContact CB-CD2 4.48Å; F119-L130 HydrophobicContact CD1-CD2 3.94Å; F119-L130 HydrophobicContact CD2-CD2 3.73Å; F119-L130 HydrophobicContact CE1-CD1 4.06Å; F119-L130 HydrophobicContact CE1-CD2 4Å; F119-L130 HydrophobicContact CE2-CD1 4.25Å; F119-L130 HydrophobicContact CE2-CD2 3.83Å; F119-L130 HydrophobicContact CG-CD2 3.77Å; F119-L130 HydrophobicContact CZ-CD1 3.77Å; F119-L130 HydrophobicContact CZ-CD2 3.95Å; F119-L130 HydrophobicContact CZ-CG 4.47Å; L130-V132 HydrophobicContact CD1-CB 4.33Å; L130-V142 HydrophobicContact CB-CG1 4.49Å; L130-V142 HydrophobicContact CD1-CG1 3.54Å; L130-V143 WeakPolarHBondContact CA-O 3.5Å; L130-V143 WeakPolarHBondContact CB-O 3.31Å
131	I	98.9	Very high	98.6	Very high	36 Å²	36	27.7 Å²	27.7	19%	0.185	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.5	163.7	-64.5	178.3	0	0	0	108.2	I115 V142 V143 M205 C223	I115-I131 WeakPolarHBondContact O-CA 3.42Å; I131-V142 WeakPolarHBondContact O-CA 3.37Å; I131-V143 PolarHBondContact N-O 2.98Å; I131-V143 PolarHBondContact O-N 3.21Å; I131-M205 HydrophobicContact CD1-CE 4.35Å; I131-M205 HydrophobicContact CG1-CE 4.41Å; I131-M205 HydrophobicContact CG2-CE 3.92Å; I131-C223 HydrophobicContact CD1-CB 4.15Å
132	V	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.9	173.2	54.7	0	0	0	0	109.7	M98 I106 G114 I115 L130 L140 V142	M98-V132 HydrophobicContact CG-CG2 4.23Å; I106-V132 HydrophobicContact CD1-CG1 3.51Å; G114-V132 CarbonylContact C-O 3.57Å; G114-V132 WeakPolarHBondContact CA-O 3.32Å; I115-V132 HydrophobicContact CG1-CG1 4.02Å; I115-V132 PolarHBondContact N-O 3.07Å; I115-V132 PolarHBondContact O-N 2.82Å; L130-V132 HydrophobicContact CD1-CB 4.33Å; V132-L140 HydrophobicContact CG2-CB 4.32Å; V132-L140 HydrophobicContact CG2-CD1 4.38Å; V132-V142 HydrophobicContact CB-CG2 4.23Å; V132-V142 HydrophobicContact CG2-CG2 3.9Å
133	T	98.9	Very high	98.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.4	-178.6	-58.7	0	0	0	0	110.2	Q113 T135 L140 Y141 S207	Q113-T133 WeakPolarHBondContact O-CA 3.23Å; T133-T135 HydrophobicContact CG2-CG2 4.41Å; T133-T135 PolarHBondContact O-N 3.3Å; T133-L140 CarbonylContact O-C 3.53Å; T133-L140 VanDerWaalsContact O-CA 3.29Å; T133-L140 WeakPolarHBondContact O-CA 3.34Å; T133-Y141 PolarHBondContact N-O 2.94Å; T133-Y141 PolarHBondContact O-N 2.68Å; T133-S207 WeakPolarHBondContact CG2-OG 3.41Å
134	N	98.9	Very high	98.7	Very high	23 Å²	23	16.3 Å²	16.3	12%	0.123	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	101.4	169.7	-176.2	14.3	0	0	0	109	L109 P111 N112 Q113 L140	L109-N134 HydrophobicContact CB-CB 3.62Å; L109-N134 HydrophobicContact CD1-CB 4.15Å; L109-N134 PolarHBondContact O-ND2 2.95Å; P111-N134 CarbonylContact C-O 3.57Å; N112-N134 VanDerWaalsContact CA-O 3.23Å; N112-N134 WeakPolarHBondContact CA-O 3.31Å; N112-N134 PolarHBondContact N-O 3.27Å; Q113-N134 PolarHBondContact O-N 3.42Å; N134-L140 HydrophobicContact CB-CD2 4.11Å
135	T	98.8	Very high	98.6	Very high	4 Å²	4	18 Å²	18	3%	0.025	11%	0.107	C	C	.	.			trans	-79.9	154.7	-174.9	78.8	0	0	0	0	111.6	T133 E137 H139 R219	T133-T135 HydrophobicContact CG2-CG2 4.41Å; T133-T135 PolarHBondContact O-N 3.3Å; T135-E137 WeakPolarHBondContact CB-OE2 3.18Å; T135-E137 PolarHBondContact O-N 3.08Å; T135-E137 PolarHBondContact OG1-N 3.48Å; T135-H139 WeakPolarHBondContact CB-O 3.16Å; T135-H139 WeakPolarHBondContact CG2-O 3.43Å; T135-H139 PolarHBondContact N-O 2.98Å; T135-H139 PolarHBondContact OG1-CE1 2.88Å; T135-H139 PolarHBondContact OG1-N 2.99Å; T135-H139 PolarHBondContact OG1-ND1 3.19Å; T135-H139 PolarHBondContact OG1-O 3.35Å; T135-R219 VanDerWaalsContact CG2-CZ 3.42Å; T135-R219 VanDerWaalsContact CG2-NH2 3.31Å
136	S	97.9	Very high	98.5	Very high	76 Å²	76	18.3 Å²	18.3	53%	0.531	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.1	170.8	48	0	0	0	0	113.7	N112 G138	N112-S136 WeakPolarHBondContact ND2-CB 3.47Å; N112-S136 PolarHBondContact ND2-OG 2.76Å; N112-S136 PolarHBondContact OD1-N 3.26Å; N112-S136 PolarHBondContact OD1-OG 2.83Å; S136-G138 PolarHBondContact O-N 3.22Å
137	E	97.3	Very high	98.3	Very high	79 Å²	79	21.4 Å²	21.4	37%	0.369	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	15	-173.8	-52.5	90.5	105.6	0	0	112.8	N112 T135 V209 R219	N112-E137 PolarHBondContact OD1-OE2 3.45Å; T135-E137 WeakPolarHBondContact CB-OE2 3.18Å; T135-E137 PolarHBondContact O-N 3.08Å; T135-E137 PolarHBondContact OG1-N 3.48Å; E137-V209 WeakPolarHBondContact OE1-CG2 3.44Å; E137-R219 IonicContact OE1-NH1 2.83Å; E137-R219 PolarHBondContact OE1-NH1 3.38Å; E137-R219 IonicContact OE2-NH1 2.86Å
138	G	97.3	Very high	98.2	Very high	32 Å²	32	20.6 Å²	20.6	33%	0.33	14%	0.137	S	C	.	.	S	Bend	trans	79.4	16.4	173.8	0	0	0	0	0	115.4	R94 S136	R94-G138 VanDerWaalsContact CZ-O 3.3Å; R94-G138 PolarHBondContact NE-O 3.41Å; S136-G138 PolarHBondContact O-N 3.22Å
139	H	98.8	Very high	97.9	Very high	17 Å²	17	22.7 Å²	22.7	8%	0.079	15%	0.145	C	C	.	.	S	Bend	trans	-132.4	161.7	174.2	64.9	-85.3	0	0	0	112.2	I89 F90 T135	I89-H139 CarbonylContact O-C 3.51Å; I89-H139 VanDerWaalsContact O-CA 3.25Å; I89-H139 WeakPolarHBondContact O-CA 3.42Å; I89-H139 WeakPolarHBondContact O-CB 3.33Å; F90-H139 HydrophobicContact CD1-CB 3.53Å; F90-H139 HydrophobicContact CE1-CB 3.63Å; F90-H139 AromaticContact CE1-CG 3.93Å; F90-H139 HydrophobicContact CG-CB 4.21Å; F90-H139 HydrophobicContact CZ-CB 4.38Å; T135-H139 WeakPolarHBondContact CB-O 3.16Å; T135-H139 WeakPolarHBondContact CG2-O 3.43Å; T135-H139 PolarHBondContact N-O 2.98Å; T135-H139 PolarHBondContact OG1-CE1 2.88Å; T135-H139 PolarHBondContact OG1-N 2.99Å; T135-H139 PolarHBondContact OG1-ND1 3.19Å; T135-H139 PolarHBondContact OG1-O 3.35Å
140	L	98.9	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134	163.2	-57.4	179.6	0	0	0	108.5	K88 I89 R94 V95 M98 I106 V132 T133 N134	K88-L140 CarbonylContact C-O 3.06Å; K88-L140 WeakPolarHBondContact CA-O 3.32Å; I89-L140 HydrophobicContact CB-CB 4.18Å; I89-L140 PolarHBondContact N-O 2.83Å; I89-L140 PolarHBondContact O-N 3.49Å; R94-L140 HydrophobicContact CB-CD1 4.4Å; R94-L140 HydrophobicContact CB-CG 4.33Å; R94-L140 HydrophobicContact CG-CD1 4.43Å; R94-L140 HydrophobicContact CG-CG 4.06Å; R94-L140 WeakPolarHBondContact O-CD1 3.43Å; V95-L140 HydrophobicContact CG2-CD2 4.43Å; M98-L140 HydrophobicContact CB-CD1 3.55Å; M98-L140 HydrophobicContact CG-CD1 3.98Å; I106-L140 HydrophobicContact CG2-CD1 4.12Å; I106-L140 HydrophobicContact CG2-CD2 4.17Å; V132-L140 HydrophobicContact CG2-CB 4.32Å; V132-L140 HydrophobicContact CG2-CD1 4.38Å; T133-L140 CarbonylContact O-C 3.53Å; T133-L140 VanDerWaalsContact O-CA 3.29Å; T133-L140 WeakPolarHBondContact O-CA 3.34Å; N134-L140 HydrophobicContact CB-CD2 4.11Å
141	Y	98.9	Very high	97.7	Very high	10 Å²	10	31.1 Å²	31.1	4%	0.039	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.3	171	174.4	-113.6	0	0	0	109.1	Q86 T133 V143 S234	Q86-Y141 HydrophobicContact CB-CE2 4.26Å; Q86-Y141 HydrophobicContact CG-CE2 4.45Å; Q86-Y141 PolarHBondContact OE1-OH 2.77Å; T133-Y141 PolarHBondContact N-O 2.94Å; T133-Y141 PolarHBondContact O-N 2.68Å; Y141-V143 HydrophobicContact CD1-CG2 4.31Å; Y141-V143 HydrophobicContact CE1-CG2 3.53Å; Y141-V143 HydrophobicContact CE2-CG2 4.31Å; Y141-V143 WeakPolarHBondContact OH-CG2 3.11Å; Y141-S234 WeakPolarHBondContact OH-CB 3.34Å
142	V	98.9	Very high	97.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134	-171.3	176.7	0	0	0	0	109.5	Q86 T87 I89 M98 L130 I131 V132	Q86-V142 WeakPolarHBondContact CA-O 3.46Å; T87-V142 PolarHBondContact N-O 3.2Å; T87-V142 PolarHBondContact O-N 3.07Å; T87-V142 WeakPolarHBondContact OG1-CB 3.4Å; I89-V142 HydrophobicContact CD1-CG2 4.37Å; M98-V142 HydrophobicContact CE-CG2 3.61Å; L130-V142 HydrophobicContact CB-CG1 4.49Å; L130-V142 HydrophobicContact CD1-CG1 3.54Å; I131-V142 WeakPolarHBondContact O-CA 3.37Å; V132-V142 HydrophobicContact CB-CG2 4.23Å; V132-V142 HydrophobicContact CG2-CG2 3.9Å
143	V	98.9	Very high	97.7	Very high	10 Å²	10	30.5 Å²	30.5	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.3	174.7	-173.3	0	0	0	0	109.2	M84 L85 Q86 L130 I131 Y141 L179	M84-V143 HydrophobicContact CB-CG1 4.07Å; M84-V143 HydrophobicContact CE-CG1 3.68Å; M84-V143 HydrophobicContact SD-CG1 4.44Å; L85-V143 CarbonylContact O-C 3.58Å; L85-V143 VanDerWaalsContact O-CA 3.24Å; L85-V143 WeakPolarHBondContact O-CA 3.39Å; Q86-V143 HydrophobicContact CG-CG2 4.3Å; L130-V143 WeakPolarHBondContact CA-O 3.5Å; L130-V143 WeakPolarHBondContact CB-O 3.31Å; I131-V143 PolarHBondContact N-O 2.98Å; I131-V143 PolarHBondContact O-N 3.21Å; Y141-V143 HydrophobicContact CD1-CG2 4.31Å; Y141-V143 HydrophobicContact CE1-CG2 3.53Å; Y141-V143 HydrophobicContact CE2-CG2 4.31Å; Y141-V143 WeakPolarHBondContact OH-CG2 3.11Å; V143-L179 HydrophobicContact CG1-CD2 3.89Å
144	S	98.7	Very high	97.6	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	172.9	179.3	78	0	0	0	0	112.9	M84 L85 D128 D152	M84-S144 WeakPolarHBondContact CB-O 3.2Å; L85-S144 PolarHBondContact N-O 3.46Å; L85-S144 PolarHBondContact O-N 3.36Å; D128-S144 WeakPolarHBondContact OD2-CB 3.39Å; S144-D152 WeakPolarHBondContact CB-OD2 3.01Å; S144-D152 PolarHBondContact OG-OD2 3.4Å
145	N	98.1	Very high	97.6	Very high	35 Å²	35	33.1 Å²	33.1	19%	0.187	20%	0.204	C	C	.	.			trans	-69.3	140	-167.5	-71.1	-67.9	0	0	0	112.6	D128 D129 G147 C148 W149	D128-N145 VanDerWaalsContact CG-ND2 3.33Å; D128-N145 PolarHBondContact OD1-ND2 3.48Å; D128-N145 WeakPolarHBondContact OD2-CB 3.13Å; D128-N145 PolarHBondContact OD2-N 3.33Å; D128-N145 PolarHBondContact OD2-ND2 3.5Å; D129-N145 PolarHBondContact O-ND2 3.23Å; D129-N145 PolarHBondContact OD1-ND2 2.84Å; N145-G147 VanDerWaalsContact C-N 3.29Å; N145-G147 PolarHBondContact O-N 2.84Å; N145-C148 HydrophobicContact CB-CB 4.34Å; N145-C148 PolarHBondContact O-N 3.04Å; N145-W149 PolarHBondContact O-N 2.92Å
146	A	95.6	Very high	97.6	Very high	10 Å²	10	32.9 Å²	32.9	8%	0.083	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-58.9	-38.4	178.1	0	0	0	0	0	113.6	A53 H83 C148 W149	A53-A146 HydrophobicContact CB-CB 4.24Å; H83-A146 HydrophobicContact CB-CB 4.1Å; H83-A146 WeakPolarHBondContact CD2-CB 3.39Å; H83-A146 WeakPolarHBondContact O-CB 3.11Å; A146-C148 PolarHBondContact O-N 3.22Å; A146-W149 WeakPolarHBondContact O-CB 3.48Å; A146-W149 PolarHBondContact O-N 3.39Å
147	G	94.3	Very high	97.7	Very high	65 Å²	65	33.2 Å²	33.2	67%	0.67	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-70	-13.1	178.4	0	0	0	0	0	113.9	N145	N145-G147 VanDerWaalsContact C-N 3.29Å; N145-G147 PolarHBondContact O-N 2.84Å
148	C	96.5	Very high	97.7	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.054	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-106.8	2.9	179.5	-62.1	0	0	0	0	112.6	D128 N145 A146 D150 K151 D152 Y273	D128-C148 HydrophobicContact CB-CB 4.24Å; D128-C148 VanDerWaalsContact CG-SG 3.59Å; D128-C148 PolarHBondContact OD1-SG 2.75Å; N145-C148 HydrophobicContact CB-CB 4.34Å; N145-C148 PolarHBondContact O-N 3.04Å; A146-C148 PolarHBondContact O-N 3.22Å; C148-D150 PolarHBondContact O-N 2.86Å; C148-K151 WeakPolarHBondContact O-CB 3.29Å; C148-K151 PolarHBondContact O-N 2.81Å; C148-D152 WeakPolarHBondContact O-CB 3.12Å; C148-D152 PolarHBondContact O-N 3.18Å; C148-Y273 WeakPolarHBondContact SG-CD1 3.47Å; C148-Y273 WeakPolarHBondContact SG-CE1 3.45Å
149	W	93.3	Very high	97.8	Very high	44 Å²	44	34.8 Å²	34.8	17%	0.167	20%	0.196	C	C	.	.	H	α-helix	trans	-45.5	-55.4	-171.8	178.5	-72.1	0	0	0	113.4	L85 N145 A146 K151 D152 L153 V174	L85-W149 VanDerWaalsContact CA-CE3 3.43Å; L85-W149 HydrophobicContact CB-CD2 4Å; L85-W149 HydrophobicContact CB-CE3 3.42Å; L85-W149 VanDerWaalsContact CB-CE3 3.42Å; L85-W149 HydrophobicContact CB-CZ3 3.83Å; L85-W149 HydrophobicContact CD1-CD2 3.66Å; L85-W149 HydrophobicContact CD1-CE3 3.57Å; L85-W149 HydrophobicContact CD1-CH2 3.43Å; L85-W149 VanDerWaalsContact CD1-CH2 3.43Å; L85-W149 HydrophobicContact CD1-CZ2 3.54Å; L85-W149 HydrophobicContact CD1-CZ3 3.48Å; L85-W149 VanDerWaalsContact CD1-CZ3 3.48Å; L85-W149 HydrophobicContact CG-CD2 4.25Å; L85-W149 HydrophobicContact CG-CE3 4.03Å; L85-W149 HydrophobicContact CG-CZ3 4.25Å; N145-W149 PolarHBondContact O-N 2.92Å; A146-W149 WeakPolarHBondContact O-CB 3.48Å; A146-W149 PolarHBondContact O-N 3.39Å; W149-K151 PolarHBondContact O-N 2.64Å; W149-D152 PolarHBondContact O-N 2.68Å; W149-L153 WeakPolarHBondContact O-CB 3.4Å; W149-L153 PolarHBondContact O-N 2.84Å; W149-V174 HydrophobicContact CH2-CG1 3.59Å; W149-V174 HydrophobicContact CZ2-CG1 3.6Å
150	D	95.7	Very high	97.8	Very high	133 Å²	133	34.5 Å²	34.5	71%	0.711	20%	0.196	S	C	*	.	H	α-helix	trans	-66.4	-39.7	-174.8	-65.2	-34	0	0	0	111.8	C148 A154	C148-D150 PolarHBondContact O-N 2.86Å; D150-A154 WeakPolarHBondContact O-CB 3.44Å; D150-A154 PolarHBondContact O-N 2.62Å
151	K	97.9	Very high	97.8	Very high	66 Å²	66	39.4 Å²	39.4	29%	0.287	22%	0.217	S	C	.	.	H	α-helix	trans	-65.7	-48.7	178.2	176.4	-179.9	57.5	-178.6	0	111.2	L127 C148 W149 A154 L155 Y273 E279	L127-K151 WeakPolarHBondContact O-CE 3.35Å; L127-K151 PolarHBondContact O-NZ 3.13Å; C148-K151 WeakPolarHBondContact O-CB 3.29Å; C148-K151 PolarHBondContact O-N 2.81Å; W149-K151 PolarHBondContact O-N 2.64Å; K151-A154 PolarHBondContact O-N 3.01Å; K151-L155 WeakPolarHBondContact O-CB 3.49Å; K151-L155 PolarHBondContact O-N 2.78Å; K151-Y273 PolarHBondContact NZ-OH 3.24Å; K151-E279 IonicContact NZ-OE1 3.44Å; K151-E279 PolarHBondContact NZ-OE1 3.09Å
152	D	98.6	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-70.7	-41.3	-175.5	-67.5	0.2	0	0	0	111.6	L85 F119 S144 C148 W149 L155 M156	L85-D152 HydrophobicContact CD2-CB 3.93Å; F119-D152 HydrophobicContact CE2-CB 4.26Å; S144-D152 WeakPolarHBondContact CB-OD2 3.01Å; S144-D152 PolarHBondContact OG-OD2 3.4Å; C148-D152 WeakPolarHBondContact O-CB 3.12Å; C148-D152 PolarHBondContact O-N 3.18Å; W149-D152 PolarHBondContact O-N 2.68Å; D152-L155 PolarHBondContact O-N 3.37Å; D152-M156 HydrophobicContact CB-CE 4.38Å; D152-M156 WeakPolarHBondContact O-CE 3.5Å; D152-M156 WeakPolarHBondContact O-CG 3.28Å; D152-M156 PolarHBondContact O-N 3.12Å
153	L	98.4	Very high	97.8	Very high	23 Å²	23	42.8 Å²	42.8	12%	0.12	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-44.2	176.5	-176.7	58.5	0	0	0	110.5	L85 W149 M156 Q157 L172 V174	L85-L153 HydrophobicContact CD2-CB 4.24Å; W149-L153 WeakPolarHBondContact O-CB 3.4Å; W149-L153 PolarHBondContact O-N 2.84Å; L153-M156 PolarHBondContact O-N 2.86Å; L153-Q157 HydrophobicContact CD1-CG 4.08Å; L153-Q157 HydrophobicContact CG-CG 4.33Å; L153-Q157 VanDerWaalsContact O-CB 3.27Å; L153-Q157 WeakPolarHBondContact O-CB 3.31Å; L153-Q157 WeakPolarHBondContact O-CG 3.46Å; L153-Q157 PolarHBondContact O-N 3.04Å; L153-L172 HydrophobicContact CD1-CD2 3.97Å; L153-V174 HydrophobicContact CD1-CG2 3.6Å; L153-V174 HydrophobicContact CD2-CG2 4.11Å
154	A	98.6	Very high	97.7	Very high	41 Å²	41	47 Å²	47	34%	0.339	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-47.2	174.7	0	0	0	0	0	111.7	D150 K151 M156 Q157 D158	D150-A154 WeakPolarHBondContact O-CB 3.44Å; D150-A154 PolarHBondContact O-N 2.62Å; K151-A154 PolarHBondContact O-N 3.01Å; A154-M156 PolarHBondContact O-N 2.99Å; A154-Q157 PolarHBondContact O-N 3Å; A154-D158 WeakPolarHBondContact O-CB 3.39Å; A154-D158 PolarHBondContact O-N 2.86Å
155	L	98.8	Very high	97.7	Very high	38 Å²	38	53.7 Å²	53.7	20%	0.199	29%	0.288	C	S	.	.	H	α-helix	trans	-54.7	-50.9	176.9	175.3	65.3	0	0	0	111.8	I101 F119 L127 K151 D152 K159	I101-L155 HydrophobicContact CG2-CD1 4.19Å; I101-L155 HydrophobicContact CG2-CG 4.43Å; F119-L155 HydrophobicContact CB-CD2 4.04Å; F119-L155 HydrophobicContact CD1-CD2 3.95Å; F119-L155 HydrophobicContact CD2-CD2 3.97Å; F119-L155 HydrophobicContact CE1-CD2 4.44Å; F119-L155 HydrophobicContact CE2-CD2 4.43Å; F119-L155 HydrophobicContact CG-CD2 3.73Å; L127-L155 HydrophobicContact CD1-CD2 4.05Å; K151-L155 WeakPolarHBondContact O-CB 3.49Å; K151-L155 PolarHBondContact O-N 2.78Å; D152-L155 PolarHBondContact O-N 3.37Å; L155-K159 WeakPolarHBondContact O-CB 3.47Å; L155-K159 WeakPolarHBondContact O-CG 3.29Å; L155-K159 PolarHBondContact O-N 2.82Å; L155-K159 VanDerWaalsContact O-N 3.11Å
156	M	98.8	Very high	97.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-43	-179.8	-71.2	-174.3	-76.7	0	0	111.9	L85 T87 I89 I101 F119 D152 L153 A154 K159 V160 L172	L85-M156 HydrophobicContact CD2-CE 3.85Å; T87-M156 HydrophobicContact CG2-CE 3.77Å; I89-M156 HydrophobicContact CD1-SD 4.35Å; I101-M156 HydrophobicContact CD1-CG 4.14Å; F119-M156 HydrophobicContact CZ-CG 4.1Å; F119-M156 HydrophobicContact CZ-SD 4.16Å; D152-M156 HydrophobicContact CB-CE 4.38Å; D152-M156 WeakPolarHBondContact O-CE 3.5Å; D152-M156 WeakPolarHBondContact O-CG 3.28Å; D152-M156 PolarHBondContact O-N 3.12Å; L153-M156 PolarHBondContact O-N 2.86Å; A154-M156 PolarHBondContact O-N 2.99Å; M156-K159 PolarHBondContact O-N 2.98Å; M156-V160 WeakPolarHBondContact O-CG2 3.44Å; M156-V160 PolarHBondContact O-N 2.81Å; M156-L172 HydrophobicContact CB-CD1 4.24Å; M156-L172 HydrophobicContact CB-CD2 3.71Å; M156-L172 HydrophobicContact SD-CD1 4.12Å
157	Q	98.7	Very high	97.8	Very high	83 Å²	83	61.8 Å²	61.8	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-43.7	178.8	-77.3	177.4	1	0	0	112.1	L153 A154 K159 V160 K161 L172	L153-Q157 HydrophobicContact CD1-CG 4.08Å; L153-Q157 HydrophobicContact CG-CG 4.33Å; L153-Q157 VanDerWaalsContact O-CB 3.27Å; L153-Q157 WeakPolarHBondContact O-CB 3.31Å; L153-Q157 WeakPolarHBondContact O-CG 3.46Å; L153-Q157 PolarHBondContact O-N 3.04Å; A154-Q157 PolarHBondContact O-N 3Å; Q157-K159 VanDerWaalsContact C-N 3.32Å; Q157-K159 PolarHBondContact O-N 3.38Å; Q157-V160 PolarHBondContact O-N 3.01Å; Q157-K161 WeakPolarHBondContact O-CG 3.47Å; Q157-K161 PolarHBondContact O-N 3.35Å; Q157-L172 HydrophobicContact CB-CD2 4.47Å; Q157-L172 HydrophobicContact CG-CD2 3.64Å
158	D	98.7	Very high	98	Very high	89 Å²	89	59.6 Å²	59.6	48%	0.476	31%	0.314	S	S	.	.	H	α-helix	trans	-68.9	-35.1	-179.9	-71.5	-16.1	0	0	0	111.3	A154 K161 E162	A154-D158 WeakPolarHBondContact O-CB 3.39Å; A154-D158 PolarHBondContact O-N 2.86Å; D158-K161 PolarHBondContact O-N 3.5Å; D158-K161 IonicContact OD1-NZ 2.99Å; D158-K161 PolarHBondContact OD1-NZ 3.08Å; D158-E162 WeakPolarHBondContact O-CB 3.24Å; D158-E162 PolarHBondContact O-N 3.16Å
159	K	98.6	Very high	98.1	Very high	54 Å²	54	63.4 Å²	63.4	24%	0.235	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-37.5	171.9	-73.9	-75.3	170	-164.1	0	113.4	L97 I101 L155 M156 Q157 E162 F163	L97-K159 HydrophobicContact CG-CB 4.36Å; I101-K159 HydrophobicContact CG2-CD 3.86Å; I101-K159 HydrophobicContact CG2-CG 3.59Å; L155-K159 WeakPolarHBondContact O-CB 3.47Å; L155-K159 WeakPolarHBondContact O-CG 3.29Å; L155-K159 PolarHBondContact O-N 2.82Å; L155-K159 VanDerWaalsContact O-N 3.11Å; M156-K159 PolarHBondContact O-N 2.98Å; Q157-K159 VanDerWaalsContact C-N 3.32Å; Q157-K159 PolarHBondContact O-N 3.38Å; K159-E162 IonicContact NZ-OE2 2.66Å; K159-E162 PolarHBondContact NZ-OE2 2.85Å; K159-E162 PolarHBondContact O-N 2.96Å; K159-F163 VanDerWaalsContact O-CD2 3.29Å; K159-F163 WeakPolarHBondContact O-CD2 3.45Å; K159-F163 PolarHBondContact O-N 3.35Å
160	V	98.8	Very high	98.4	Very high	12 Å²	12	61.6 Å²	61.6	7%	0.073	33%	0.327	C	S	.	.	H	α-helix	trans	-58.9	-50.4	171.5	164.8	0	0	0	0	110.4	L97 M156 Q157 E162 F163 Q164 V170 L172	L97-V160 HydrophobicContact CD1-CB 4.2Å; L97-V160 HydrophobicContact CD1-CG2 3.52Å; M156-V160 WeakPolarHBondContact O-CG2 3.44Å; M156-V160 PolarHBondContact O-N 2.81Å; Q157-V160 PolarHBondContact O-N 3.01Å; V160-E162 VanDerWaalsContact C-N 3.33Å; V160-E162 PolarHBondContact O-N 3.1Å; V160-F163 PolarHBondContact O-N 3.38Å; V160-Q164 HydrophobicContact CG1-CG 4.29Å; V160-Q164 WeakPolarHBondContact O-CB 3.4Å; V160-Q164 WeakPolarHBondContact O-CG 3.37Å; V160-Q164 PolarHBondContact O-N 3.12Å; V160-V170 HydrophobicContact CG1-CG2 4.23Å; V160-L172 HydrophobicContact CG2-CB 3.83Å
161	K	98.7	Very high	98.5	Very high	102 Å²	102	56.2 Å²	56.2	44%	0.443	30%	0.303	S	S	.	.	H	α-helix	trans	-59.4	-44	177.4	-66.9	168.8	-163.6	155.8	0	111.6	Q157 D158 F163 Q164 N165	Q157-K161 WeakPolarHBondContact O-CG 3.47Å; Q157-K161 PolarHBondContact O-N 3.35Å; D158-K161 PolarHBondContact O-N 3.5Å; D158-K161 IonicContact OD1-NZ 2.99Å; D158-K161 PolarHBondContact OD1-NZ 3.08Å; K161-F163 VanDerWaalsContact C-N 3.31Å; K161-F163 PolarHBondContact O-N 3.22Å; K161-Q164 PolarHBondContact O-N 3.23Å; K161-N165 WeakPolarHBondContact O-CB 3.46Å; K161-N165 PolarHBondContact O-N 3.25Å; K161-N165 PolarHBondContact O-ND2 3.38Å
162	E	98.6	Very high	98.6	Very high	68 Å²	68	55.2 Å²	55.2	32%	0.318	30%	0.301	S	S	.	.	H	α-helix	trans	-58.2	-43.4	177.9	-169	-165	145.2	0	0	111.8	D158 K159 V160 K166	D158-E162 WeakPolarHBondContact O-CB 3.24Å; D158-E162 PolarHBondContact O-N 3.16Å; K159-E162 IonicContact NZ-OE2 2.66Å; K159-E162 PolarHBondContact NZ-OE2 2.85Å; K159-E162 PolarHBondContact O-N 2.96Å; V160-E162 VanDerWaalsContact C-N 3.33Å; V160-E162 PolarHBondContact O-N 3.1Å; E162-K166 WeakPolarHBondContact O-CG 3.48Å; E162-K166 PolarHBondContact O-N 2.8Å; E162-K166 IonicContact OE1-NZ 3.79Å; E162-K166 PolarHBondContact OE1-NZ 2.81Å
163	F	98.6	Very high	98.6	Very high	15 Å²	15	58.9 Å²	58.9	7%	0.066	32%	0.318	C	S	.	.	H	α-helix	trans	-71.2	-44.7	178.7	-90.6	-115.9	0	0	0	112.1	K96 L97 K159 V160 K161 N165 K166 G167 S168 V170	K96-F163 HydrophobicContact CB-CE1 4.14Å; K96-F163 HydrophobicContact CD-CE1 3.89Å; K96-F163 HydrophobicContact CG-CE1 3.76Å; K96-F163 HydrophobicContact CG-CZ 4.2Å; L97-F163 HydrophobicContact CB-CD1 4.2Å; L97-F163 HydrophobicContact CB-CE1 4.09Å; L97-F163 HydrophobicContact CB-CE2 4.5Å; L97-F163 HydrophobicContact CB-CG 4.45Å; L97-F163 HydrophobicContact CB-CZ 4.25Å; L97-F163 HydrophobicContact CD1-CB 4.41Å; L97-F163 HydrophobicContact CD1-CD2 4.46Å; L97-F163 HydrophobicContact CD1-CG 4.31Å; L97-F163 HydrophobicContact CG-CD2 4.48Å; K159-F163 VanDerWaalsContact O-CD2 3.29Å; K159-F163 WeakPolarHBondContact O-CD2 3.45Å; K159-F163 PolarHBondContact O-N 3.35Å; V160-F163 PolarHBondContact O-N 3.38Å; K161-F163 VanDerWaalsContact C-N 3.31Å; K161-F163 PolarHBondContact O-N 3.22Å; F163-N165 VanDerWaalsContact C-N 3.29Å; F163-N165 PolarHBondContact O-N 3.2Å; F163-K166 CarbonylContact O-C 3.52Å; F163-K166 WeakPolarHBondContact O-CA 3.33Å; F163-K166 WeakPolarHBondContact O-CB 3.47Å; F163-K166 PolarHBondContact O-N 3.38Å; F163-G167 PolarHBondContact O-N 2.95Å; F163-S168 WeakPolarHBondContact O-CB 3.39Å; F163-S168 PolarHBondContact O-N 3.34Å; F163-V170 HydrophobicContact CB-CG2 3.64Å; F163-V170 HydrophobicContact CD1-CG1 4.47Å
164	Q	98.6	Very high	98.6	Very high	97 Å²	97	60.6 Å²	60.6	45%	0.453	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-40.1	176.3	-72.6	175.3	-15.4	0	0	111.7	V160 K161 K166 G167 V170	V160-Q164 HydrophobicContact CG1-CG 4.29Å; V160-Q164 WeakPolarHBondContact O-CB 3.4Å; V160-Q164 WeakPolarHBondContact O-CG 3.37Å; V160-Q164 PolarHBondContact O-N 3.12Å; K161-Q164 PolarHBondContact O-N 3.23Å; Q164-K166 PolarHBondContact O-N 3Å; Q164-G167 PolarHBondContact O-N 3.04Å; Q164-V170 HydrophobicContact CG-CG2 3.95Å; Q164-V170 PolarHBondContact NE2-O 2.98Å
165	N	98.4	Very high	98.5	Very high	145 Å²	145	59.2 Å²	59.2	78%	0.775	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.9	174.6	-72.6	-17	0	0	0	113.4	K161 F163	K161-N165 WeakPolarHBondContact O-CB 3.46Å; K161-N165 PolarHBondContact O-N 3.25Å; K161-N165 PolarHBondContact O-ND2 3.38Å; F163-N165 VanDerWaalsContact C-N 3.29Å; F163-N165 PolarHBondContact O-N 3.2Å
166	K	98.1	Very high	98.3	Very high	145 Å²	145	64.2 Å²	64.2	63%	0.63	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	5	173.8	-64	172.9	-169.3	171.2	0	112.9	E162 F163 Q164	E162-K166 WeakPolarHBondContact O-CG 3.48Å; E162-K166 PolarHBondContact O-N 2.8Å; E162-K166 IonicContact OE1-NZ 3.79Å; E162-K166 PolarHBondContact OE1-NZ 2.81Å; F163-K166 CarbonylContact O-C 3.52Å; F163-K166 WeakPolarHBondContact O-CA 3.33Å; F163-K166 WeakPolarHBondContact O-CB 3.47Å; F163-K166 PolarHBondContact O-N 3.38Å; Q164-K166 PolarHBondContact O-N 3Å
167	G	98.1	Very high	98.3	Very high	70 Å²	70	66.4 Å²	66.4	72%	0.722	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	12.4	-179.7	0	0	0	0	0	115	F163 Q164	F163-G167 PolarHBondContact O-N 2.95Å; Q164-G167 PolarHBondContact O-N 3.04Å
168	S	98.4	Very high	98.3	Very high	19 Å²	19	62.5 Å²	62.5	13%	0.133	34%	0.337	C	S	.	.			trans	-76.1	145	173.5	-86.2	0	0	0	0	111.7	D93 F163	D93-S168 VanDerWaalsContact OD2-CA 3.26Å; D93-S168 WeakPolarHBondContact OD2-CA 3.15Å; D93-S168 WeakPolarHBondContact OD2-CB 3.45Å; D93-S168 PolarHBondContact OD2-OG 2.92Å; F163-S168 WeakPolarHBondContact O-CB 3.39Å; F163-S168 PolarHBondContact O-N 3.34Å
169	D	98.4	Very high	98.3	Very high	88 Å²	88	58.3 Å²	58.3	47%	0.471	32%	0.315	S	S	.	.			trans	-94.8	103.9	172.8	146.6	62.1	0	0	0	109.2	G91 H92 D93	G91-D169 CarbonylContact C-O 3.37Å; G91-D169 VanDerWaalsContact CA-O 3.27Å; G91-D169 WeakPolarHBondContact CA-O 3.45Å; G91-D169 WeakPolarHBondContact CA-OD1 2.93Å; G91-D169 VanDerWaalsContact CA-OD2 3.29Å; G91-D169 WeakPolarHBondContact CA-OD2 3.11Å; H92-D169 VanDerWaalsContact CE1-CB 3.46Å; H92-D169 WeakPolarHBondContact CE1-CB 3.39Å; H92-D169 PolarHBondContact CE1-N 2.81Å; H92-D169 VanDerWaalsContact CE1-N 3.31Å; H92-D169 IonicContact CE1-OD2 3.63Å; H92-D169 IonicContact CG-OD2 3.59Å; H92-D169 PolarHBondContact N-O 3.34Å; H92-D169 PolarHBondContact N-OD2 2.8Å; H92-D169 WeakPolarHBondContact ND1-CB 3.47Å; H92-D169 PolarHBondContact ND1-O 3.49Å; H92-D169 IonicContact ND1-OD2 2.74Å; H92-D169 PolarHBondContact ND1-OD2 3.29Å; D93-D169 PolarHBondContact N-O 3.48Å; D93-D169 PolarHBondContact OD2-N 3.08Å
170	V	98.6	Very high	98.3	Very high	6 Å²	6	55.8 Å²	55.8	4%	0.036	30%	0.304	C	S	.	.			trans	-143.8	147.5	177.4	-68.1	0	0	0	0	109.6	F90 D93 L97 V160 F163 Q164	F90-V170 VanDerWaalsContact O-CA 3.31Å; F90-V170 WeakPolarHBondContact O-CA 3.17Å; D93-V170 HydrophobicContact CB-CG1 3.57Å; L97-V170 HydrophobicContact CB-CG1 4.11Å; L97-V170 HydrophobicContact CD1-CB 3.93Å; L97-V170 HydrophobicContact CD1-CG1 4.02Å; L97-V170 HydrophobicContact CD1-CG2 3.84Å; V160-V170 HydrophobicContact CG1-CG2 4.23Å; F163-V170 HydrophobicContact CB-CG2 3.64Å; F163-V170 HydrophobicContact CD1-CG1 4.47Å; Q164-V170 HydrophobicContact CG-CG2 3.95Å; Q164-V170 PolarHBondContact NE2-O 2.98Å
171	G	98.5	Very high	98.3	Very high	20 Å²	20	55.2 Å²	55.2	21%	0.206	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	157	173.2	0	0	0	0	0	110.9	I89 F90	I89-G171 CarbonylContact C-O 3.54Å; I89-G171 VanDerWaalsContact CA-O 3.3Å; I89-G171 WeakPolarHBondContact CA-O 3.25Å; F90-G171 PolarHBondContact N-O 3.22Å; F90-G171 PolarHBondContact O-N 3.07Å; F90-G171 VanDerWaalsContact O-N 3.1Å
172	L	98.8	Very high	98.3	Very high	44 Å²	44	50.4 Å²	50.4	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.7	177.3	176.8	75.3	0	0	0	109.5	T87 K88 I89 L153 M156 Q157 V160	T87-L172 HydrophobicContact CG2-CD1 4.15Å; K88-L172 WeakPolarHBondContact O-CA 3.36Å; I89-L172 HydrophobicContact CG1-CD1 3.92Å; L153-L172 HydrophobicContact CD1-CD2 3.97Å; M156-L172 HydrophobicContact CB-CD1 4.24Å; M156-L172 HydrophobicContact CB-CD2 3.71Å; M156-L172 HydrophobicContact SD-CD1 4.12Å; Q157-L172 HydrophobicContact CB-CD2 4.47Å; Q157-L172 HydrophobicContact CG-CD2 3.64Å; V160-L172 HydrophobicContact CG2-CB 3.83Å
173	E	98.6	Very high	98.3	Very high	77 Å²	77	47.2 Å²	47.2	36%	0.36	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.5	173.9	179.1	-168.9	127.6	0	0	108.8	T87 K88 F90	T87-E173 CarbonylContact C-O 3.52Å; T87-E173 WeakPolarHBondContact CA-O 3.24Å; T87-E173 WeakPolarHBondContact CB-O 3.34Å; K88-E173 HydrophobicContact CB-CB 4.4Å; K88-E173 PolarHBondContact N-O 3.13Å; K88-E173 IonicContact NZ-OE1 3.74Å; K88-E173 PolarHBondContact NZ-OE1 3.18Å; K88-E173 PolarHBondContact O-N 2.89Å; F90-E173 HydrophobicContact CD2-CB 4.48Å; F90-E173 HydrophobicContact CE2-CB 3.66Å; F90-E173 WeakPolarHBondContact CE2-OE2 3.23Å; F90-E173 WeakPolarHBondContact CZ-OE2 3.42Å
174	V	98.4	Very high	98.3	Very high	60 Å²	60	46.5 Å²	46.5	36%	0.364	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.3	166.3	178.4	0	0	0	0	108.1	L85 T87 W149 L153	L85-V174 HydrophobicContact CD1-CG1 4.25Å; T87-V174 HydrophobicContact CG2-CG2 4.3Å; W149-V174 HydrophobicContact CH2-CG1 3.59Å; W149-V174 HydrophobicContact CZ2-CG1 3.6Å; L153-V174 HydrophobicContact CD1-CG2 3.6Å; L153-V174 HydrophobicContact CD2-CG2 4.11Å
175	V	96.9	Very high	98.3	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.067	26%	0.259	C	S	.	.			trans	-89.1	128.4	-178.3	-169.9	0	0	0	0	109.8	Q86 K88 N177	Q86-V175 HydrophobicContact CB-CB 3.84Å; Q86-V175 HydrophobicContact CB-CG2 4.24Å; Q86-V175 PolarHBondContact O-N 3.17Å; K88-V175 HydrophobicContact CD-CG2 4.14Å; K88-V175 HydrophobicContact CG-CG2 3.73Å; V175-N177 HydrophobicContact CG1-CB 3.71Å; V175-N177 PolarHBondContact O-N 3.44Å
176	D	94.5	Very high	98.4	Very high	144 Å²	144	39 Å²	39	77%	0.77	23%	0.229	S	C	*	.			trans	-92	36.4	176.8	-166.3	29.8	0	0	0	112.7	A237	D176-A237 WeakPolarHBondContact O-CB 3.26Å
177	N	98.5	Very high	98.4	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.241	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	150.1	177.4	-80	5.2	0	0	0	110.3	Q86 V175 S234 V235	Q86-N177 PolarHBondContact NE2-O 3.11Å; V175-N177 HydrophobicContact CG1-CB 3.71Å; V175-N177 PolarHBondContact O-N 3.44Å; N177-S234 VanDerWaalsContact CB-OG 3.31Å; N177-S234 WeakPolarHBondContact CB-OG 3.42Å; N177-S234 PolarHBondContact ND2-OG 3.38Å; N177-V235 CarbonylContact C-O 3.51Å; N177-V235 VanDerWaalsContact CA-O 3.3Å; N177-V235 WeakPolarHBondContact CA-O 3.3Å; N177-V235 WeakPolarHBondContact CB-O 3.34Å
178	A	98.8	Very high	98.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	160.8	158.7	0	0	0	0	0	110.1	P37 S82 S234 V235 A240	P37-A178 HydrophobicContact CB-CB 4.46Å; P37-A178 HydrophobicContact CG-CB 4.11Å; S82-A178 WeakPolarHBondContact OG-CB 3.19Å; A178-S234 WeakPolarHBondContact O-CA 3.36Å; A178-V235 HydrophobicContact CB-CG1 3.82Å; A178-V235 PolarHBondContact N-O 3.22Å; A178-V235 PolarHBondContact O-N 2.95Å; A178-A240 HydrophobicContact CB-CB 3.5Å; A178-A240 VanDerWaalsContact CB-CB 3.5Å
179	L	98.9	Very high	98.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	117.3	178.2	-169	65.2	0	0	0	109.6	V81 S82 M84 Q86 V143 E232	V81-L179 CarbonylContact C-O 3.6Å; V81-L179 WeakPolarHBondContact CA-O 3.25Å; V81-L179 HydrophobicContact CG2-CB 4.01Å; V81-L179 HydrophobicContact CG2-CD2 3.87Å; V81-L179 HydrophobicContact CG2-CG 3.66Å; V81-L179 VanDerWaalsContact CG2-O 3.24Å; V81-L179 WeakPolarHBondContact CG2-O 3.42Å; V81-L179 PolarHBondContact N-O 3.13Å; S82-L179 PolarHBondContact N-O 2.74Å; S82-L179 VanDerWaalsContact N-O 3.11Å; S82-L179 PolarHBondContact OG-N 3.05Å; S82-L179 PolarHBondContact OG-O 3.2Å; M84-L179 HydrophobicContact CB-CD2 4.45Å; M84-L179 HydrophobicContact CE-CD2 3.41Å; M84-L179 VanDerWaalsContact CE-CD2 3.41Å; Q86-L179 HydrophobicContact CG-CD2 4.4Å; V143-L179 HydrophobicContact CG1-CD2 3.89Å; L179-E232 HydrophobicContact CD1-CB 4.3Å
180	L	98.9	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.4	-179.8	-52.5	-175.5	0	0	0	109.7	L38 L78 F79 E232 I233 V235 L243 A244	L38-L180 HydrophobicContact CD1-CD2 3.32Å; L38-L180 HydrophobicContact CG-CD2 4.3Å; L78-L180 HydrophobicContact CD1-CB 4.04Å; F79-L180 WeakPolarHBondContact O-CA 3.36Å; L180-E232 CarbonylContact O-C 3.58Å; L180-E232 VanDerWaalsContact O-CA 3.28Å; L180-E232 WeakPolarHBondContact O-CA 3.31Å; L180-I233 PolarHBondContact N-O 2.58Å; L180-I233 PolarHBondContact O-N 2.58Å; L180-V235 HydrophobicContact CG-CG1 4.47Å; L180-L243 HydrophobicContact CD1-CB 4.41Å; L180-L243 HydrophobicContact CD1-CD2 3.9Å; L180-L243 HydrophobicContact CD1-CG 4Å; L180-A244 HydrophobicContact CD1-CB 4.13Å
181	A	98.9	Very high	98.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.1	173.7	0	0	0	0	0	110.2	L78 F79 V81 Q183 V231 E232	L78-A181 CarbonylContact C-O 3.58Å; L78-A181 WeakPolarHBondContact CA-O 3.46Å; F79-A181 HydrophobicContact CB-CB 4.24Å; F79-A181 PolarHBondContact N-O 2.47Å; F79-A181 PolarHBondContact O-N 3.33Å; V81-A181 HydrophobicContact CG2-CB 4.26Å; A181-Q183 HydrophobicContact CB-CG 4.1Å; A181-V231 CarbonylContact C-O 3.45Å; A181-V231 WeakPolarHBondContact CA-O 3.49Å; A181-E232 HydrophobicContact CB-CG 3.9Å
182	L	98.9	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114	173.2	-175.8	71.4	0	0	0	108.6	C76 S77 L78 A187 V190 L191 G230 V231 L247 V253	C76-L182 HydrophobicContact CB-CD1 4.25Å; C76-L182 HydrophobicContact CB-CG 4.49Å; S77-L182 WeakPolarHBondContact O-CA 3.19Å; L78-L182 HydrophobicContact CB-CD1 4.3Å; L78-L182 HydrophobicContact CD1-CB 4.45Å; L78-L182 HydrophobicContact CD1-CD1 4.45Å; L182-A187 HydrophobicContact CD2-CB 4.16Å; L182-A187 VanDerWaalsContact CD2-O 3.31Å; L182-A187 WeakPolarHBondContact CD2-O 3.43Å; L182-A187 HydrophobicContact CG-CB 3.84Å; L182-A187 WeakPolarHBondContact O-CB 3.48Å; L182-V190 HydrophobicContact CD2-CB 4.1Å; L182-V190 HydrophobicContact CD2-CG1 3.96Å; L182-L191 HydrophobicContact CD2-CB 4.37Å; L182-G230 CarbonylContact O-C 3.58Å; L182-G230 WeakPolarHBondContact O-CA 3.41Å; L182-V231 HydrophobicContact CB-CG2 4.07Å; L182-V231 PolarHBondContact N-O 3.03Å; L182-V231 PolarHBondContact O-N 3.39Å; L182-L247 HydrophobicContact CD2-CD2 4.01Å; L182-V253 HydrophobicContact CD1-CG1 4.06Å; L182-V253 HydrophobicContact CD1-CG2 4.15Å
183	Q	98.9	Very high	98.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.3	-163.5	-58.1	-74.4	-64.2	0	0	110.5	T72 C76 S77 F79 A181 C223 T226 V231	T72-Q183 HydrophobicContact CG2-CB 4.29Å; T72-Q183 WeakPolarHBondContact CG2-O 3.34Å; C76-Q183 CarbonylContact C-O 3.57Å; C76-Q183 WeakPolarHBondContact CA-O 3.45Å; C76-Q183 VanDerWaalsContact CB-O 3.31Å; C76-Q183 WeakPolarHBondContact CB-O 3.25Å; S77-Q183 PolarHBondContact N-O 2.8Å; S77-Q183 PolarHBondContact O-N 2.77Å; F79-Q183 HydrophobicContact CD2-CB 4.45Å; F79-Q183 HydrophobicContact CD2-CG 4.18Å; F79-Q183 HydrophobicContact CE2-CB 4.08Å; F79-Q183 HydrophobicContact CE2-CG 4.24Å; A181-Q183 HydrophobicContact CB-CG 4.1Å; Q183-C223 PolarHBondContact NE2-O 2.91Å; Q183-T226 HydrophobicContact CB-CG2 3.75Å; Q183-T226 HydrophobicContact CG-CG2 3.84Å; Q183-T226 PolarHBondContact OE1-OG1 2.99Å; Q183-T226 VanDerWaalsContact OE1-OG1 3.04Å; Q183-V231 PolarHBondContact NE2-O 3.03Å; Q183-V231 VanDerWaalsContact NE2-O 3.1Å
184	G	98.8	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	132.7	164.4	179.8	0	0	0	0	0	112.9	T72 H75 T186 A187 D229	T72-G184 WeakPolarHBondContact O-CA 3.34Å; H75-G184 CarbonylContact O-C 3.39Å; H75-G184 WeakPolarHBondContact O-CA 3.34Å; G184-T186 PolarHBondContact O-N 2.84Å; G184-T186 VanDerWaalsContact O-N 3.08Å; G184-A187 WeakPolarHBondContact O-CB 3.5Å; G184-A187 PolarHBondContact O-N 3.08Å; G184-D229 CarbonylContact C-O 3.58Å; G184-D229 PolarHBondContact N-O 3.07Å
185	P	98.7	Very high	98.5	Very high	62 Å²	62	29.7 Å²	29.7	40%	0.403	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.4	-175.9	22.6	-37	0	0	0	115.2	R74 H75	R74-P185 WeakPolarHBondContact O-CG 3.22Å; H75-P185 WeakPolarHBondContact O-CD 3.45Å; H75-P185 WeakPolarHBondContact O-CG 3.29Å
186	T	98.8	Very high	98.5	Very high	22 Å²	22	35.4 Å²	35.4	14%	0.135	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	1.5	177.7	62.7	0	0	0	0	113.8	H75 C76 G184 A188 Q189 V190 E252	H75-T186 WeakPolarHBondContact CA-OG1 3.28Å; H75-T186 PolarHBondContact O-N 3.27Å; H75-T186 VanDerWaalsContact O-N 3.16Å; H75-T186 PolarHBondContact O-OG1 3.27Å; C76-T186 PolarHBondContact N-OG1 3.5Å; C76-T186 PolarHBondContact SG-OG1 3.02Å; G184-T186 PolarHBondContact O-N 2.84Å; G184-T186 VanDerWaalsContact O-N 3.08Å; T186-A188 PolarHBondContact O-N 3.39Å; T186-Q189 WeakPolarHBondContact O-CB 3.48Å; T186-Q189 PolarHBondContact O-N 2.87Å; T186-V190 WeakPolarHBondContact O-CG2 3.39Å; T186-V190 PolarHBondContact O-N 3.09Å; T186-E252 WeakPolarHBondContact CG2-OE2 3.24Å; T186-E252 PolarHBondContact OG1-OE2 3.37Å
187	A	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-47.2	-175.5	0	0	0	0	0	112.9	C76 L182 G184 Q189 V190 L191	C76-A187 HydrophobicContact CB-CB 3.84Å; L182-A187 HydrophobicContact CD2-CB 4.16Å; L182-A187 VanDerWaalsContact CD2-O 3.31Å; L182-A187 WeakPolarHBondContact CD2-O 3.43Å; L182-A187 HydrophobicContact CG-CB 3.84Å; L182-A187 WeakPolarHBondContact O-CB 3.48Å; G184-A187 WeakPolarHBondContact O-CB 3.5Å; G184-A187 PolarHBondContact O-N 3.08Å; A187-Q189 VanDerWaalsContact C-N 3.35Å; A187-Q189 PolarHBondContact O-N 2.87Å; A187-V190 PolarHBondContact O-N 2.87Å; A187-L191 PolarHBondContact O-N 3.14Å
188	A	98.6	Very high	98.7	Very high	16 Å²	16	31.6 Å²	31.6	13%	0.132	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-37.9	179.9	0	0	0	0	0	112.3	T186 L191 Q192 L199	T186-A188 PolarHBondContact O-N 3.39Å; A188-L191 PolarHBondContact O-N 3.4Å; A188-Q192 VanDerWaalsContact O-CB 3.26Å; A188-Q192 WeakPolarHBondContact O-CB 3.42Å; A188-Q192 PolarHBondContact O-N 2.87Å; A188-L199 WeakPolarHBondContact O-CD1 3.31Å
189	Q	98.6	Very high	98.7	Very high	144 Å²	144	31.7 Å²	31.7	67%	0.673	19%	0.189	S	C	*	.	H	α-helix	trans	-63	-43.6	175.9	179.2	-175	-7.2	0	0	111.3	T186 A187 Q192	T186-Q189 WeakPolarHBondContact O-CB 3.48Å; T186-Q189 PolarHBondContact O-N 2.87Å; A187-Q189 VanDerWaalsContact C-N 3.35Å; A187-Q189 PolarHBondContact O-N 2.87Å; Q189-Q192 PolarHBondContact O-N 2.61Å
190	V	98.8	Very high	98.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-49.6	176.5	170	0	0	0	0	110.8	L182 T186 A187 Q192 A193 L247 N250 E252 V253	L182-V190 HydrophobicContact CD2-CB 4.1Å; L182-V190 HydrophobicContact CD2-CG1 3.96Å; T186-V190 WeakPolarHBondContact O-CG2 3.39Å; T186-V190 PolarHBondContact O-N 3.09Å; A187-V190 PolarHBondContact O-N 2.87Å; V190-Q192 VanDerWaalsContact C-N 3.32Å; V190-Q192 PolarHBondContact O-N 3.47Å; V190-A193 PolarHBondContact O-N 3.04Å; V190-L247 HydrophobicContact CG1-CD2 3.98Å; V190-N250 HydrophobicContact CG1-CB 4.09Å; V190-N250 HydrophobicContact CG2-CB 4.38Å; V190-E252 HydrophobicContact CG2-CB 3.97Å; V190-V253 HydrophobicContact CB-CG2 4.34Å; V190-V253 HydrophobicContact CG1-CG2 3.58Å; V190-V253 HydrophobicContact CG2-CG2 3.97Å
191	L	98.8	Very high	98.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-36.4	-178.9	-175.2	65.3	0	0	0	112.2	L182 A187 A188 A193 G194 V195 L199 V212 F213 V220 V231 I233 L247	L182-L191 HydrophobicContact CD2-CB 4.37Å; A187-L191 PolarHBondContact O-N 3.14Å; A188-L191 PolarHBondContact O-N 3.4Å; L191-A193 PolarHBondContact O-N 3.06Å; L191-A193 VanDerWaalsContact O-N 3.11Å; L191-G194 PolarHBondContact O-N 3.04Å; L191-V195 HydrophobicContact CD1-CG1 4.24Å; L191-V195 HydrophobicContact CG-CG1 4.16Å; L191-V195 PolarHBondContact O-N 3.28Å; L191-L199 HydrophobicContact CB-CD1 3.84Å; L191-L199 HydrophobicContact CD2-CD1 3.86Å; L191-L199 HydrophobicContact CD2-CD2 4.49Å; L191-L199 HydrophobicContact CG-CD1 3.88Å; L191-V212 HydrophobicContact CD1-CG1 3.53Å; L191-F213 HydrophobicContact CD1-CE2 4.35Å; L191-V220 HydrophobicContact CD2-CG1 3.7Å; L191-V231 HydrophobicContact CD2-CB 4.28Å; L191-V231 HydrophobicContact CD2-CG1 4.04Å; L191-V231 HydrophobicContact CD2-CG2 3.61Å; L191-I233 HydrophobicContact CD1-CD1 3.78Å; L191-L247 HydrophobicContact CD1-CD2 4.4Å
192	Q	98.8	Very high	98.6	Very high	62 Å²	62	47.8 Å²	47.8	29%	0.29	26%	0.255	S	S	.	.	H	α-helix	trans	-55.2	-31.9	-178.9	-173.2	62.1	77.5	0	0	112.6	A188 Q189 V190 G194 V195 D197 L199	A188-Q192 VanDerWaalsContact O-CB 3.26Å; A188-Q192 WeakPolarHBondContact O-CB 3.42Å; A188-Q192 PolarHBondContact O-N 2.87Å; Q189-Q192 PolarHBondContact O-N 2.61Å; V190-Q192 VanDerWaalsContact C-N 3.32Å; V190-Q192 PolarHBondContact O-N 3.47Å; Q192-G194 PolarHBondContact O-N 3.09Å; Q192-V195 PolarHBondContact NE2-O 2.76Å; Q192-V195 PolarHBondContact O-N 3.23Å; Q192-V195 VanDerWaalsContact O-O 3.1Å; Q192-D197 PolarHBondContact NE2-O 2.89Å; Q192-D197 PolarHBondContact OE1-O 3.33Å; Q192-L199 HydrophobicContact CB-CD1 4.12Å
193	A	98.4	Very high	98.5	Very high	81 Å²	81	49 Å²	49	67%	0.669	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.5	177.8	0	0	0	0	0	113.7	V190 L191	V190-A193 PolarHBondContact O-N 3.04Å; L191-A193 PolarHBondContact O-N 3.06Å; L191-A193 VanDerWaalsContact O-N 3.11Å
194	G	98.3	Very high	98.5	Very high	14 Å²	14	51.8 Å²	51.8	14%	0.144	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	5	-179.1	0	0	0	0	0	114.6	L191 Q192 V212 F213	L191-G194 PolarHBondContact O-N 3.04Å; Q192-G194 PolarHBondContact O-N 3.09Å; G194-V212 CarbonylContact O-C 3.57Å; G194-V212 WeakPolarHBondContact O-CA 3.39Å; G194-F213 PolarHBondContact O-N 3.4Å
195	V	98.7	Very high	98.5	Very high	14 Å²	14	53 Å²	53	9%	0.085	28%	0.281	C	S	.	.			trans	-131.4	148.8	-179.1	-56.8	0	0	0	0	110.9	L191 Q192 L199 M210 V212	L191-V195 HydrophobicContact CD1-CG1 4.24Å; L191-V195 HydrophobicContact CG-CG1 4.16Å; L191-V195 PolarHBondContact O-N 3.28Å; Q192-V195 PolarHBondContact NE2-O 2.76Å; Q192-V195 PolarHBondContact O-N 3.23Å; Q192-V195 VanDerWaalsContact O-O 3.1Å; V195-L199 HydrophobicContact CG2-CD1 4.01Å; V195-L199 HydrophobicContact CG2-CD2 4.06Å; V195-L199 HydrophobicContact CG2-CG 3.91Å; V195-M210 HydrophobicContact CG1-SD 4.47Å; V195-V212 HydrophobicContact CG1-CB 4.27Å; V195-V212 HydrophobicContact CG1-CG1 4.14Å; V195-V212 HydrophobicContact CG1-CG2 3.86Å
196	T	98.3	Very high	98.5	Very high	131 Å²	131	51.4 Å²	51.4	80%	0.804	27%	0.27	S	S	*	.	S	Bend	trans	-82.4	-27.7	176.2	45.7	0	0	0	0	113.1
197	D	98.4	Very high	98.5	Very high	63 Å²	63	50.7 Å²	50.7	34%	0.337	27%	0.266	S	S	.	.	S	Bend	trans	-71.7	145	-177.4	-61.8	-110.7	0	0	0	111.9	Q192 L199 M210	Q192-D197 PolarHBondContact NE2-O 2.89Å; Q192-D197 PolarHBondContact OE1-O 3.33Å; D197-L199 PolarHBondContact O-N 3.01Å; D197-M210 HydrophobicContact CB-CE 3.16Å; D197-M210 HydrophobicContact CB-SD 3.99Å; D197-M210 VanDerWaalsContact CG-CE 3.48Å
198	D	98.3	Very high	98.5	Very high	46 Å²	46	51.7 Å²	51.7	25%	0.246	28%	0.275	C	S	.	.			trans	-79.5	101.5	177.1	-173.7	-7.9	0	0	0	110.5	R200 K201	D198-R200 PolarHBondContact O-N 3.36Å; D198-R200 VanDerWaalsContact O-N 3.07Å; D198-R200 VanDerWaalsContact OD1-CB 3.24Å; D198-R200 WeakPolarHBondContact OD1-CB 3.39Å; D198-R200 WeakPolarHBondContact OD1-CG 3.23Å; D198-R200 IonicContact OD1-CZ 3.41Å; D198-R200 PolarHBondContact OD1-N 3.31Å; D198-R200 IonicContact OD1-NE 2.76Å; D198-R200 PolarHBondContact OD1-NE 2.99Å; D198-R200 IonicContact OD1-NH2 2.72Å; D198-R200 PolarHBondContact OD1-NH2 2.65Å; D198-R200 IonicContact OD2-CZ 3.81Å; D198-R200 IonicContact OD2-NE 3.5Å; D198-R200 PolarHBondContact OD2-NE 3.45Å; D198-R200 IonicContact OD2-NH2 3.79Å; D198-R200 PolarHBondContact OD2-NH2 3.2Å; D198-K201 HydrophobicContact CB-CD 4.13Å; D198-K201 HydrophobicContact CB-CG 4.18Å; D198-K201 WeakPolarHBondContact O-CB 3.44Å; D198-K201 PolarHBondContact O-N 3.46Å
199	L	98.4	Very high	98.5	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-64.6	-13.9	-178.2	-62.9	-177.4	0	0	0	113.3	A188 L191 Q192 V195 D197 K201 M202 M210 R222	A188-L199 WeakPolarHBondContact O-CD1 3.31Å; L191-L199 HydrophobicContact CB-CD1 3.84Å; L191-L199 HydrophobicContact CD2-CD1 3.86Å; L191-L199 HydrophobicContact CD2-CD2 4.49Å; L191-L199 HydrophobicContact CG-CD1 3.88Å; Q192-L199 HydrophobicContact CB-CD1 4.12Å; V195-L199 HydrophobicContact CG2-CD1 4.01Å; V195-L199 HydrophobicContact CG2-CD2 4.06Å; V195-L199 HydrophobicContact CG2-CG 3.91Å; D197-L199 PolarHBondContact O-N 3.01Å; L199-K201 PolarHBondContact O-N 2.76Å; L199-M202 HydrophobicContact CD2-CE 3.8Å; L199-M202 PolarHBondContact O-N 3.17Å; L199-M210 HydrophobicContact CD2-CE 4.09Å; L199-M210 HydrophobicContact CD2-SD 4.19Å; L199-R222 PolarHBondContact O-NH1 3.47Å
200	R	97.9	Very high	98.5	Very high	168 Å²	168	48.1 Å²	48.1	63%	0.634	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-71.8	-16.9	172	-59.1	168.9	-65.2	-176.9	4.5	112	D198 M202 Y400 L402	D198-R200 PolarHBondContact O-N 3.36Å; D198-R200 VanDerWaalsContact O-N 3.07Å; D198-R200 VanDerWaalsContact OD1-CB 3.24Å; D198-R200 WeakPolarHBondContact OD1-CB 3.39Å; D198-R200 WeakPolarHBondContact OD1-CG 3.23Å; D198-R200 IonicContact OD1-CZ 3.41Å; D198-R200 PolarHBondContact OD1-N 3.31Å; D198-R200 IonicContact OD1-NE 2.76Å; D198-R200 PolarHBondContact OD1-NE 2.99Å; D198-R200 IonicContact OD1-NH2 2.72Å; D198-R200 PolarHBondContact OD1-NH2 2.65Å; D198-R200 IonicContact OD2-CZ 3.81Å; D198-R200 IonicContact OD2-NE 3.5Å; D198-R200 PolarHBondContact OD2-NE 3.45Å; D198-R200 IonicContact OD2-NH2 3.79Å; D198-R200 PolarHBondContact OD2-NH2 3.2Å; R200-M202 VanDerWaalsContact C-N 3.34Å; R200-Y400 WeakPolarHBondContact CA-OH 3.46Å; R200-Y400 VanDerWaalsContact O-CE1 3.27Å; R200-Y400 WeakPolarHBondContact O-CE1 3.42Å; R200-Y400 PolarHBondContact O-OH 3.38Å; R200-L402 WeakPolarHBondContact O-CD2 3.19Å
201	K	98.1	Very high	98.5	Very high	161 Å²	161	52.7 Å²	52.7	70%	0.7	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-90.6	-0.7	174.7	-59.1	-178.5	-175.1	174.9	0	113	D198 L199 P203	D198-K201 HydrophobicContact CB-CD 4.13Å; D198-K201 HydrophobicContact CB-CG 4.18Å; D198-K201 WeakPolarHBondContact O-CB 3.44Å; D198-K201 PolarHBondContact O-N 3.46Å; L199-K201 PolarHBondContact O-N 2.76Å; K201-P203 WeakPolarHBondContact O-CD 3.28Å
202	M	98.3	Very high	98.5	Very high	11 Å²	11	52.7 Å²	52.7	5%	0.054	28%	0.281	C	S	.	.			trans	-107.2	86.1	178.6	-170.7	177.1	71.9	0	0	109.9	L199 R200 T206 M210 V220 R222 V231	L199-M202 HydrophobicContact CD2-CE 3.8Å; L199-M202 PolarHBondContact O-N 3.17Å; R200-M202 VanDerWaalsContact C-N 3.34Å; M202-T206 WeakPolarHBondContact CG-OG1 3.15Å; M202-M210 HydrophobicContact SD-CE 4.38Å; M202-V220 HydrophobicContact CE-CG1 3.67Å; M202-V220 HydrophobicContact SD-CG1 4.3Å; M202-R222 HydrophobicContact CE-CB 3.89Å; M202-R222 HydrophobicContact CE-CG 4.43Å; M202-R222 HydrophobicContact CG-CB 4.15Å; M202-R222 PolarHBondContact O-NH1 2.93Å; M202-V231 HydrophobicContact CE-CG1 3.81Å
203	P	98.6	Very high	98.5	Very high	26 Å²	26	52.2 Å²	52.2	17%	0.169	28%	0.278	C	S	.	.			trans	-66.3	166.3	176.6	25	-31.2	0	0	0	112.7	K201 M205 T206 R222 L402	K201-P203 WeakPolarHBondContact O-CD 3.28Å; P203-M205 PolarHBondContact O-N 3.4Å; P203-T206 WeakPolarHBondContact CD-OG1 3.24Å; P203-T206 HydrophobicContact CG-CG2 3.81Å; P203-T206 WeakPolarHBondContact O-CB 3.35Å; P203-T206 PolarHBondContact O-N 3.35Å; P203-T206 VanDerWaalsContact O-N 3.08Å; P203-T206 PolarHBondContact O-OG1 3.48Å; P203-R222 WeakPolarHBondContact O-CB 3.28Å; P203-L402 HydrophobicContact CB-CG 4.03Å; P203-L402 HydrophobicContact CG-CD1 4.09Å; P203-L402 HydrophobicContact CG-CG 4.07Å
204	F	98.8	Very high	98.5	Very high	60 Å²	60	50.9 Å²	50.9	26%	0.263	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	136.2	173.4	-176	-117.5	0	0	0	111.8	T206 R222 Y399 Y400	F204-T206 VanDerWaalsContact C-N 3.27Å; F204-T206 PolarHBondContact O-N 3.19Å; F204-R222 CarbonylContact C-O 3.58Å; F204-R222 WeakPolarHBondContact CA-O 3.43Å; F204-R222 VanDerWaalsContact CD2-O 3.28Å; F204-R222 WeakPolarHBondContact CD2-O 3.41Å; F204-Y399 HydrophobicContact CD1-CD2 4.3Å; F204-Y399 HydrophobicContact CD1-CG 4.17Å; F204-Y399 AromaticContact CD2-CD1 3.98Å; F204-Y399 HydrophobicContact CD2-CD1 3.98Å; F204-Y399 HydrophobicContact CD2-CG 4.06Å; F204-Y399 HydrophobicContact CE1-CD1 4.47Å; F204-Y399 AromaticContact CE1-CD2 3.91Å; F204-Y399 HydrophobicContact CE1-CD2 3.91Å; F204-Y399 HydrophobicContact CE1-CE2 4.24Å; F204-Y399 HydrophobicContact CE1-CG 4.05Å; F204-Y399 AromaticContact CE2-CD1 3.61Å; F204-Y399 HydrophobicContact CE2-CD1 3.61Å; F204-Y399 HydrophobicContact CE2-CD2 4.48Å; F204-Y399 AromaticContact CE2-CE1 3.91Å; F204-Y399 HydrophobicContact CE2-CE1 3.91Å; F204-Y399 AromaticContact CE2-CG 3.93Å; F204-Y399 HydrophobicContact CE2-CG 3.93Å; F204-Y399 HydrophobicContact CG-CG 4.19Å; F204-Y399 AromaticContact CZ-CD1 3.9Å; F204-Y399 HydrophobicContact CZ-CD1 3.9Å; F204-Y399 HydrophobicContact CZ-CD2 4.02Å; F204-Y399 AromaticContact CZ-CE1 3.96Å; F204-Y399 HydrophobicContact CZ-CE1 3.96Å; F204-Y399 HydrophobicContact CZ-CE2 4.08Å; F204-Y399 AromaticContact CZ-CG 3.93Å; F204-Y399 HydrophobicContact CZ-CG 3.93Å; F204-Y400 VanDerWaalsContact CB-O 3.24Å; F204-Y400 WeakPolarHBondContact CB-O 3.26Å; F204-Y400 PolarHBondContact N-O 2.95Å
205	M	98.6	Very high	98.5	Very high	25 Å²	25	50.9 Å²	50.9	12%	0.123	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	30.2	-175.4	-54.6	-58.6	-66.5	0	0	114.7	G114 I131 P203 R222 C223	G114-M205 PolarHBondContact N-O 2.87Å; G114-M205 WeakPolarHBondContact O-CB 3.32Å; I131-M205 HydrophobicContact CD1-CE 4.35Å; I131-M205 HydrophobicContact CG1-CE 4.41Å; I131-M205 HydrophobicContact CG2-CE 3.92Å; P203-M205 PolarHBondContact O-N 3.4Å; M205-R222 PolarHBondContact N-O 3.32Å; M205-C223 HydrophobicContact SD-CB 3.79Å
206	T	98.9	Very high	98.5	Very high	29 Å²	29	53.9 Å²	53.9	18%	0.178	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-118.5	163.1	163.8	66.4	0	0	0	0	111.1	N112 M202 P203 F204 R222	N112-T206 CarbonylContact O-C 3.49Å; N112-T206 VanDerWaalsContact O-CA 3.26Å; N112-T206 WeakPolarHBondContact O-CA 3.43Å; M202-T206 WeakPolarHBondContact CG-OG1 3.15Å; P203-T206 WeakPolarHBondContact CD-OG1 3.24Å; P203-T206 HydrophobicContact CG-CG2 3.81Å; P203-T206 WeakPolarHBondContact O-CB 3.35Å; P203-T206 PolarHBondContact O-N 3.35Å; P203-T206 VanDerWaalsContact O-N 3.08Å; P203-T206 PolarHBondContact O-OG1 3.48Å; F204-T206 VanDerWaalsContact C-N 3.27Å; F204-T206 PolarHBondContact O-N 3.19Å; T206-R222 PolarHBondContact O-N 2.99Å
207	S	98.9	Very high	98.4	Very high	7 Å²	7	49.8 Å²	49.8	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	168.7	-175.4	53.2	0	0	0	0	112.2	N112 T133 R219 V220 T221	N112-S207 WeakPolarHBondContact CB-O 3.48Å; N112-S207 PolarHBondContact O-N 2.97Å; N112-S207 PolarHBondContact O-OG 3.28Å; N112-S207 VanDerWaalsContact O-OG 3.09Å; T133-S207 WeakPolarHBondContact CG2-OG 3.41Å; S207-R219 PolarHBondContact OG-NH2 3.04Å; S207-V220 CarbonylContact C-O 3.45Å; S207-V220 WeakPolarHBondContact CA-O 3.47Å; S207-V220 WeakPolarHBondContact CB-O 3.38Å; S207-T221 WeakPolarHBondContact CB-OG1 3.4Å
208	A	98.6	Very high	98.4	Very high	22 Å²	22	46.8 Å²	46.8	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.5	166.9	0	0	0	0	0	109.7	M210 R219 V220	A208-M210 HydrophobicContact CB-CE 3.77Å; A208-M210 HydrophobicContact CB-CG 4.02Å; A208-R219 WeakPolarHBondContact O-CA 3.49Å; A208-V220 PolarHBondContact N-O 3.3Å; A208-V220 PolarHBondContact O-N 3.4Å
209	V	98.6	Very high	98.4	Very high	71 Å²	71	45.2 Å²	45.2	43%	0.43	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.1	163.1	176.8	0	0	0	0	107.9	E137 C218	E137-V209 WeakPolarHBondContact OE1-CG2 3.44Å; V209-C218 CarbonylContact C-O 3.55Å; V209-C218 VanDerWaalsContact CA-O 3.28Å; V209-C218 WeakPolarHBondContact CA-O 3.47Å
210	M	98.1	Very high	98.5	Very high	13 Å²	13	45 Å²	45	6%	0.064	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.7	-172.8	-58.2	-177.1	157.6	0	0	110.5	V195 D197 L199 M202 A208 V212 C218 V220	V195-M210 HydrophobicContact CG1-SD 4.47Å; D197-M210 HydrophobicContact CB-CE 3.16Å; D197-M210 HydrophobicContact CB-SD 3.99Å; D197-M210 VanDerWaalsContact CG-CE 3.48Å; L199-M210 HydrophobicContact CD2-CE 4.09Å; L199-M210 HydrophobicContact CD2-SD 4.19Å; M202-M210 HydrophobicContact SD-CE 4.38Å; A208-M210 HydrophobicContact CB-CE 3.77Å; A208-M210 HydrophobicContact CB-CG 4.02Å; M210-V212 HydrophobicContact CB-CG2 4.19Å; M210-C218 PolarHBondContact N-O 2.87Å; M210-C218 PolarHBondContact O-N 3.1Å; M210-V220 HydrophobicContact CB-CG2 4.26Å; M210-V220 HydrophobicContact CG-CG2 4.34Å; M210-V220 HydrophobicContact SD-CB 4.03Å; M210-V220 HydrophobicContact SD-CG2 3.91Å
211	E	98.7	Very high	98.5	Very high	98 Å²	98	37.5 Å²	37.5	46%	0.458	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.3	158	-177.1	170.2	120.5	0	0	109.4	V215 S216	E211-V215 WeakPolarHBondContact CA-O 3.38Å; E211-S216 PolarHBondContact OE2-OG 2.87Å
212	V	98.8	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	113	-176.1	-173.8	0	0	0	0	109.5	L191 G194 V195 M210 G214 V215 C218 V220 I233 L243	L191-V212 HydrophobicContact CD1-CG1 3.53Å; G194-V212 CarbonylContact O-C 3.57Å; G194-V212 WeakPolarHBondContact O-CA 3.39Å; V195-V212 HydrophobicContact CG1-CB 4.27Å; V195-V212 HydrophobicContact CG1-CG1 4.14Å; V195-V212 HydrophobicContact CG1-CG2 3.86Å; M210-V212 HydrophobicContact CB-CG2 4.19Å; V212-G214 PolarHBondContact O-N 3.36Å; V212-V215 PolarHBondContact N-O 2.98Å; V212-V215 WeakPolarHBondContact O-CB 3.1Å; V212-V215 PolarHBondContact O-N 3.22Å; V212-C218 HydrophobicContact CB-CB 4.2Å; V212-C218 HydrophobicContact CG2-CB 3.63Å; V212-V220 HydrophobicContact CG2-CG2 3.6Å; V212-I233 HydrophobicContact CG2-CG2 4.45Å; V212-L243 HydrophobicContact CB-CD1 4.31Å; V212-L243 HydrophobicContact CG1-CD1 3.52Å
213	F	98.6	Very high	98.6	Very high	53 Å²	53	29.8 Å²	29.8	23%	0.232	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	42.8	-175.3	-69.7	-79.9	0	0	0	112.8	L191 G194 V215 H242 L243 A246 L247	L191-F213 HydrophobicContact CD1-CE2 4.35Å; G194-F213 PolarHBondContact O-N 3.4Å; F213-V215 VanDerWaalsContact C-N 3.31Å; F213-H242 PolarHBondContact O-NE2 2.7Å; F213-L243 HydrophobicContact CB-CD1 4.35Å; F213-L243 HydrophobicContact CD2-CD1 3.85Å; F213-A246 HydrophobicContact CB-CB 3.82Å; F213-A246 HydrophobicContact CD1-CB 3.9Å; F213-A246 HydrophobicContact CD2-CB 4.28Å; F213-A246 HydrophobicContact CG-CB 3.74Å; F213-L247 HydrophobicContact CD2-CD2 4.26Å; F213-L247 HydrophobicContact CD2-CG 4.48Å; F213-L247 HydrophobicContact CE2-CD2 3.53Å; F213-L247 HydrophobicContact CE2-CG 4.16Å; F213-L247 HydrophobicContact CZ-CD2 4.27Å
214	G	98.2	Very high	98.6	Very high	52 Å²	52	29.2 Å²	29.2	54%	0.536	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	3.8	-178.4	0	0	0	0	0	114.9	V212	V212-G214 PolarHBondContact O-N 3.36Å
215	V	98.6	Very high	98.6	Very high	15 Å²	15	28.1 Å²	28.1	9%	0.091	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	103.3	175.1	-171.7	0	0	0	0	109.5	E211 V212 F213 C218 V235 A239 H242	E211-V215 WeakPolarHBondContact CA-O 3.38Å; V212-V215 PolarHBondContact N-O 2.98Å; V212-V215 WeakPolarHBondContact O-CB 3.1Å; V212-V215 PolarHBondContact O-N 3.22Å; F213-V215 VanDerWaalsContact C-N 3.31Å; V215-C218 PolarHBondContact O-SG 2.9Å; V215-V235 HydrophobicContact CG1-CG2 3.83Å; V215-A239 HydrophobicContact CB-CB 4.39Å; V215-A239 HydrophobicContact CG1-CB 3.48Å; V215-A239 VanDerWaalsContact CG1-CB 3.48Å; V215-A239 HydrophobicContact CG2-CB 3.95Å; V215-H242 VanDerWaalsContact CG2-CD2 3.44Å; V215-H242 WeakPolarHBondContact CG2-CD2 3.21Å
216	S	98	Very high	98.6	Very high	76 Å²	76	27.1 Å²	27.1	53%	0.531	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	155.3	178.5	-40.1	0	0	0	0	111.8	E211 C218	E211-S216 PolarHBondContact OE2-OG 2.87Å; S216-C218 VanDerWaalsContact C-N 3.34Å; S216-C218 PolarHBondContact O-N 2.89Å
217	G	96.8	Very high	98.5	Very high	46 Å²	46	25.8 Å²	25.8	47%	0.474	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.1	18.5	174.3	0	0	0	0	0	114.9
218	C	98.8	Very high	98.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	137	173	-64.1	0	0	0	0	110	V209 M210 V212 V215 S216 I233 S234	V209-C218 CarbonylContact C-O 3.55Å; V209-C218 VanDerWaalsContact CA-O 3.28Å; V209-C218 WeakPolarHBondContact CA-O 3.47Å; M210-C218 PolarHBondContact N-O 2.87Å; M210-C218 PolarHBondContact O-N 3.1Å; V212-C218 HydrophobicContact CB-CB 4.2Å; V212-C218 HydrophobicContact CG2-CB 3.63Å; V215-C218 PolarHBondContact O-SG 2.9Å; S216-C218 VanDerWaalsContact C-N 3.34Å; S216-C218 PolarHBondContact O-N 2.89Å; C218-I233 HydrophobicContact CB-CG2 3.99Å; C218-S234 CarbonylContact C-O 3.46Å; C218-S234 VanDerWaalsContact CA-O 3.26Å; C218-S234 WeakPolarHBondContact CA-O 3.14Å
219	R	98.9	Very high	98.6	Very high	13 Å²	13	25.5 Å²	25.5	5%	0.049	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.2	167.3	-168.9	178.4	-166.7	77.9	10.7	109.4	N112 T135 E137 S207 A208 I233 S234	N112-R219 PolarHBondContact OD1-NH2 2.76Å; T135-R219 VanDerWaalsContact CG2-CZ 3.42Å; T135-R219 VanDerWaalsContact CG2-NH2 3.31Å; E137-R219 IonicContact OE1-NH1 2.83Å; E137-R219 PolarHBondContact OE1-NH1 3.38Å; E137-R219 IonicContact OE2-NH1 2.86Å; S207-R219 PolarHBondContact OG-NH2 3.04Å; A208-R219 WeakPolarHBondContact O-CA 3.49Å; R219-I233 WeakPolarHBondContact O-CA 3.28Å; R219-S234 PolarHBondContact N-O 2.75Å; R219-S234 PolarHBondContact O-N 2.79Å
220	V	98.9	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.7	173.9	-174.9	0	0	0	0	108.4	L191 M202 S207 A208 M210 V212 V231 E232 I233	L191-V220 HydrophobicContact CD2-CG1 3.7Å; M202-V220 HydrophobicContact CE-CG1 3.67Å; M202-V220 HydrophobicContact SD-CG1 4.3Å; S207-V220 CarbonylContact C-O 3.45Å; S207-V220 WeakPolarHBondContact CA-O 3.47Å; S207-V220 WeakPolarHBondContact CB-O 3.38Å; A208-V220 PolarHBondContact N-O 3.3Å; A208-V220 PolarHBondContact O-N 3.4Å; M210-V220 HydrophobicContact CB-CG2 4.26Å; M210-V220 HydrophobicContact CG-CG2 4.34Å; M210-V220 HydrophobicContact SD-CB 4.03Å; M210-V220 HydrophobicContact SD-CG2 3.91Å; V212-V220 HydrophobicContact CG2-CG2 3.6Å; V220-V231 HydrophobicContact CG1-CB 3.97Å; V220-V231 HydrophobicContact CG1-CG1 3.83Å; V220-V231 HydrophobicContact CG1-CG2 4.5Å; V220-E232 CarbonylContact C-O 3.47Å; V220-E232 WeakPolarHBondContact CA-O 3.4Å; V220-I233 HydrophobicContact CG2-CG2 4.32Å
221	T	98.9	Very high	98.6	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.055	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.8	177.6	-53.6	0	0	0	0	109	S207 C223 V231 E232	S207-T221 WeakPolarHBondContact CB-OG1 3.4Å; T221-C223 HydrophobicContact CG2-CB 4.02Å; T221-C223 VanDerWaalsContact CG2-SG 3.51Å; T221-C223 PolarHBondContact O-N 3.11Å; T221-V231 CarbonylContact O-C 3.52Å; T221-V231 WeakPolarHBondContact O-CA 3.49Å; T221-E232 PolarHBondContact N-O 2.6Å; T221-E232 PolarHBondContact O-N 3.3Å
222	R	98.9	Very high	98.6	Very high	7 Å²	7	17.5 Å²	17.5	3%	0.026	12%	0.121	C	C	.	.			trans	-79.3	71.4	176.2	-158.5	71.6	170.6	-104	-0.3	110.4	L199 M202 P203 F204 M205 T206 D229 G230 V231	L199-R222 PolarHBondContact O-NH1 3.47Å; M202-R222 HydrophobicContact CE-CB 3.89Å; M202-R222 HydrophobicContact CE-CG 4.43Å; M202-R222 HydrophobicContact CG-CB 4.15Å; M202-R222 PolarHBondContact O-NH1 2.93Å; P203-R222 WeakPolarHBondContact O-CB 3.28Å; F204-R222 CarbonylContact C-O 3.58Å; F204-R222 WeakPolarHBondContact CA-O 3.43Å; F204-R222 VanDerWaalsContact CD2-O 3.28Å; F204-R222 WeakPolarHBondContact CD2-O 3.41Å; M205-R222 PolarHBondContact N-O 3.32Å; T206-R222 PolarHBondContact O-N 2.99Å; R222-D229 IonicContact CZ-OD1 3.97Å; R222-D229 IonicContact CZ-OD2 3.99Å; R222-D229 IonicContact NE-OD1 3.32Å; R222-D229 PolarHBondContact NE-OD1 3.11Å; R222-D229 IonicContact NE-OD2 2.78Å; R222-D229 VanDerWaalsContact NH2-CG 3.31Å; R222-D229 IonicContact NH2-OD1 2.84Å; R222-D229 PolarHBondContact NH2-OD1 3.25Å; R222-D229 IonicContact NH2-OD2 3.72Å; R222-D229 PolarHBondContact NH2-OD2 3.42Å; R222-G230 WeakPolarHBondContact CD-O 3.29Å; R222-V231 VanDerWaalsContact CD-CG1 3.48Å
223	C	98.8	Very high	98.6	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.02	12%	0.121	C	C	.	.			trans	-136.2	177.4	178.5	62.7	0	0	0	0	110.2	I131 Q183 M205 T221 G230	I131-C223 HydrophobicContact CD1-CB 4.15Å; Q183-C223 PolarHBondContact NE2-O 2.91Å; M205-C223 HydrophobicContact SD-CB 3.79Å; T221-C223 HydrophobicContact CG2-CB 4.02Å; T221-C223 VanDerWaalsContact CG2-SG 3.51Å; T221-C223 PolarHBondContact O-N 3.11Å; C223-G230 PolarHBondContact N-O 3.31Å; C223-G230 CarbonylContact O-C 3.58Å
224	G	98.4	Very high	98.6	Very high	15 Å²	15	15.1 Å²	15.1	16%	0.155	11%	0.111	C	C	.	.			trans	-179.2	166.6	-177	0	0	0	0	0	114.4
225	Y	98.8	Very high	98.7	Very high	37 Å²	37	12.6 Å²	12.6	15%	0.145	9%	0.085	C	C	.	.	S	Bend	trans	-122.6	34.9	179.7	-164.4	-119.1	0	0	0	111.8	R261 R265 L270 C271 L272	Y225-R261 HydrophobicContact CD1-CG 4.11Å; Y225-R265 HydrophobicContact CD1-CB 3.52Å; Y225-R265 HydrophobicContact CD1-CG 4.04Å; Y225-R265 HydrophobicContact CD2-CB 4.32Å; Y225-R265 HydrophobicContact CE1-CB 3.3Å; Y225-R265 HydrophobicContact CE1-CG 3.37Å; Y225-R265 HydrophobicContact CE2-CB 4.12Å; Y225-R265 HydrophobicContact CG-CB 4.04Å; Y225-R265 VanDerWaalsContact O-CB 3.29Å; Y225-R265 WeakPolarHBondContact O-CB 3.44Å; Y225-R265 WeakPolarHBondContact OH-CD 3.2Å; Y225-L270 HydrophobicContact CD2-CB 4.12Å; Y225-L270 HydrophobicContact CD2-CD1 3.69Å; Y225-L270 HydrophobicContact CE2-CB 3.73Å; Y225-L270 HydrophobicContact CE2-CD1 4.19Å; Y225-L270 HydrophobicContact CG-CD1 4.27Å; Y225-C271 WeakPolarHBondContact CE2-O 3.42Å; Y225-C271 PolarHBondContact OH-O 3.08Å; Y225-L272 WeakPolarHBondContact OH-CA 3.4Å
226	T	98.9	Very high	98.7	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.025	9%	0.093	C	C	.	.	S	Bend	trans	-131.2	-14.1	-172.6	64.3	0	0	0	0	114.2	R73 F79 Q183 E228 L264	R73-T226 PolarHBondContact NH1-O 3.5Å; F79-T226 HydrophobicContact CE2-CG2 4.41Å; Q183-T226 HydrophobicContact CB-CG2 3.75Å; Q183-T226 HydrophobicContact CG-CG2 3.84Å; Q183-T226 PolarHBondContact OE1-OG1 2.99Å; Q183-T226 VanDerWaalsContact OE1-OG1 3.04Å; T226-E228 PolarHBondContact O-N 2.78Å; T226-E228 PolarHBondContact OG1-N 3.15Å; T226-L264 HydrophobicContact CG2-CB 4.24Å; T226-L264 HydrophobicContact CG2-CD1 4.02Å
227	G	98.5	Very high	98.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	77.6	-9.9	-170	0	0	0	0	0	114.5	T397 N398	G227-T397 CarbonylContact O-C 3.58Å; G227-T397 WeakPolarHBondContact O-CA 3.35Å; G227-T397 VanDerWaalsContact O-CB 3.29Å; G227-T397 WeakPolarHBondContact O-CB 3.41Å; G227-N398 PolarHBondContact O-N 3.04Å
228	E	98.8	Very high	98.7	Very high	6 Å²	6	17.1 Å²	17.1	3%	0.028	10%	0.096	C	C	.	.	S	Bend	trans	-82.1	169.4	172.2	-61.4	-57	141	0	0	111.1	R73 T226 N398	R73-E228 HydrophobicContact CG-CG 4.4Å; R73-E228 IonicContact CZ-OE1 3.47Å; R73-E228 IonicContact NH1-OE1 3.16Å; R73-E228 PolarHBondContact NH1-OE1 2.89Å; T226-E228 PolarHBondContact O-N 2.78Å; T226-E228 PolarHBondContact OG1-N 3.15Å; E228-N398 PolarHBondContact OE2-ND2 3.31Å
229	D	98.8	Very high	98.7	Very high	17 Å²	17	18 Å²	18	9%	0.091	10%	0.102	C	C	.	.	S	Bend	trans	-61.8	154.1	158.7	-173.4	30.4	0	0	0	110.3	G184 R222 N398	G184-D229 CarbonylContact C-O 3.58Å; G184-D229 PolarHBondContact N-O 3.07Å; R222-D229 IonicContact CZ-OD1 3.97Å; R222-D229 IonicContact CZ-OD2 3.99Å; R222-D229 IonicContact NE-OD1 3.32Å; R222-D229 PolarHBondContact NE-OD1 3.11Å; R222-D229 IonicContact NE-OD2 2.78Å; R222-D229 VanDerWaalsContact NH2-CG 3.31Å; R222-D229 IonicContact NH2-OD1 2.84Å; R222-D229 PolarHBondContact NH2-OD1 3.25Å; R222-D229 IonicContact NH2-OD2 3.72Å; R222-D229 PolarHBondContact NH2-OD2 3.42Å; D229-N398 WeakPolarHBondContact CB-O 3.32Å; D229-N398 PolarHBondContact N-O 3.25Å
230	G	98.8	Very high	98.7	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.9	174	-178.4	0	0	0	0	0	113.2	L182 R222 C223	L182-G230 CarbonylContact O-C 3.58Å; L182-G230 WeakPolarHBondContact O-CA 3.41Å; R222-G230 WeakPolarHBondContact CD-O 3.29Å; C223-G230 PolarHBondContact N-O 3.31Å; C223-G230 CarbonylContact O-C 3.58Å
231	V	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.5	176.2	-66	0	0	0	0	111.6	A181 L182 Q183 L191 M202 V220 T221 R222 I233	A181-V231 CarbonylContact C-O 3.45Å; A181-V231 WeakPolarHBondContact CA-O 3.49Å; L182-V231 HydrophobicContact CB-CG2 4.07Å; L182-V231 PolarHBondContact N-O 3.03Å; L182-V231 PolarHBondContact O-N 3.39Å; Q183-V231 PolarHBondContact NE2-O 3.03Å; Q183-V231 VanDerWaalsContact NE2-O 3.1Å; L191-V231 HydrophobicContact CD2-CB 4.28Å; L191-V231 HydrophobicContact CD2-CG1 4.04Å; L191-V231 HydrophobicContact CD2-CG2 3.61Å; M202-V231 HydrophobicContact CE-CG1 3.81Å; V220-V231 HydrophobicContact CG1-CB 3.97Å; V220-V231 HydrophobicContact CG1-CG1 3.83Å; V220-V231 HydrophobicContact CG1-CG2 4.5Å; T221-V231 CarbonylContact O-C 3.52Å; T221-V231 WeakPolarHBondContact O-CA 3.49Å; R222-V231 VanDerWaalsContact CD-CG1 3.48Å; V231-I233 HydrophobicContact CG2-CD1 4.36Å; V231-I233 HydrophobicContact CG2-CG1 4.12Å
232	E	98.9	Very high	98.7	Very high	12 Å²	12	25 Å²	25	6%	0.056	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143	157.3	-64.7	-168.2	160.8	0	0	109.8	L179 L180 A181 V220 T221	L179-E232 HydrophobicContact CD1-CB 4.3Å; L180-E232 CarbonylContact O-C 3.58Å; L180-E232 VanDerWaalsContact O-CA 3.28Å; L180-E232 WeakPolarHBondContact O-CA 3.31Å; A181-E232 HydrophobicContact CB-CG 3.9Å; V220-E232 CarbonylContact C-O 3.47Å; V220-E232 WeakPolarHBondContact CA-O 3.4Å; T221-E232 PolarHBondContact N-O 2.6Å; T221-E232 PolarHBondContact O-N 3.3Å
233	I	98.9	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	103.6	-175.8	-46.9	167.2	0	0	0	107.9	L180 L191 V212 C218 R219 V220 V231 V235 L243 L247	L180-I233 PolarHBondContact N-O 2.58Å; L180-I233 PolarHBondContact O-N 2.58Å; L191-I233 HydrophobicContact CD1-CD1 3.78Å; V212-I233 HydrophobicContact CG2-CG2 4.45Å; C218-I233 HydrophobicContact CB-CG2 3.99Å; R219-I233 WeakPolarHBondContact O-CA 3.28Å; V220-I233 HydrophobicContact CG2-CG2 4.32Å; V231-I233 HydrophobicContact CG2-CD1 4.36Å; V231-I233 HydrophobicContact CG2-CG1 4.12Å; I233-V235 PolarHBondContact O-N 3.22Å; I233-L243 HydrophobicContact CB-CD2 4.28Å; I233-L243 HydrophobicContact CD1-CD2 4.29Å; I233-L243 HydrophobicContact CG2-CD2 3.69Å; I233-L247 HydrophobicContact CD1-CD1 4.17Å
234	S	98.9	Very high	98.7	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.7	167.6	-176.7	0	0	0	0	107.9	Q86 Y141 N177 A178 C218 R219	Q86-S234 PolarHBondContact OE1-OG 2.94Å; Y141-S234 WeakPolarHBondContact OH-CB 3.34Å; N177-S234 VanDerWaalsContact CB-OG 3.31Å; N177-S234 WeakPolarHBondContact CB-OG 3.42Å; N177-S234 PolarHBondContact ND2-OG 3.38Å; A178-S234 WeakPolarHBondContact O-CA 3.36Å; C218-S234 CarbonylContact C-O 3.46Å; C218-S234 VanDerWaalsContact CA-O 3.26Å; C218-S234 WeakPolarHBondContact CA-O 3.14Å; R219-S234 PolarHBondContact N-O 2.75Å; R219-S234 PolarHBondContact O-N 2.79Å
235	V	98.8	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.4	-171.5	61.4	0	0	0	0	109.4	N177 A178 L180 V215 I233 A237 A239 A240 L243	N177-V235 CarbonylContact C-O 3.51Å; N177-V235 VanDerWaalsContact CA-O 3.3Å; N177-V235 WeakPolarHBondContact CA-O 3.3Å; N177-V235 WeakPolarHBondContact CB-O 3.34Å; A178-V235 HydrophobicContact CB-CG1 3.82Å; A178-V235 PolarHBondContact N-O 3.22Å; A178-V235 PolarHBondContact O-N 2.95Å; L180-V235 HydrophobicContact CG-CG1 4.47Å; V215-V235 HydrophobicContact CG1-CG2 3.83Å; I233-V235 PolarHBondContact O-N 3.22Å; V235-A237 PolarHBondContact O-N 3.15Å; V235-A239 HydrophobicContact CG2-CB 4.15Å; V235-A240 HydrophobicContact CG1-CB 4.18Å; V235-L243 HydrophobicContact CB-CD2 3.86Å; V235-L243 HydrophobicContact CG1-CD2 4.05Å; V235-L243 HydrophobicContact CG2-CB 4.43Å; V235-L243 HydrophobicContact CG2-CD2 3.85Å
236	P	98.5	Very high	98.7	Very high	38 Å²	38	25.3 Å²	25.3	25%	0.247	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.5	129.3	171.6	-28.9	36.1	0	0	0	111.1	I238 A239 A240	P236-I238 HydrophobicContact CB-CG1 4.28Å; P236-I238 PolarHBondContact O-N 2.6Å; P236-I238 VanDerWaalsContact O-N 3.08Å; P236-A239 PolarHBondContact O-N 3.32Å; P236-A240 PolarHBondContact O-N 2.86Å
237	A	97.9	Very high	98.7	Very high	25 Å²	25	25.1 Å²	25.1	21%	0.207	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-53.8	-37.6	-170.9	0	0	0	0	0	113.1	P37 D176 V235 A239 A240	P37-A237 HydrophobicContact CB-CB 4.47Å; P37-A237 HydrophobicContact CG-CB 3.79Å; D176-A237 WeakPolarHBondContact O-CB 3.26Å; V235-A237 PolarHBondContact O-N 3.15Å; A237-A239 PolarHBondContact O-N 3.28Å; A237-A240 VanDerWaalsContact O-CB 3.32Å; A237-A240 WeakPolarHBondContact O-CB 3.46Å; A237-A240 PolarHBondContact O-N 3.06Å
238	I	97.9	Very high	98.7	Very high	169 Å²	169	27.2 Å²	27.2	87%	0.867	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-60.8	-23.6	177.6	61.4	166.1	0	0	0	114.1	P236	P236-I238 HydrophobicContact CB-CG1 4.28Å; P236-I238 PolarHBondContact O-N 2.6Å; P236-I238 VanDerWaalsContact O-N 3.08Å
239	A	98.5	Very high	98.7	Very high	17 Å²	17	35 Å²	35	14%	0.14	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-105	-0.9	-177.1	0	0	0	0	0	113	V215 V235 P236 A237 V241 H242 L243	V215-A239 HydrophobicContact CB-CB 4.39Å; V215-A239 HydrophobicContact CG1-CB 3.48Å; V215-A239 VanDerWaalsContact CG1-CB 3.48Å; V215-A239 HydrophobicContact CG2-CB 3.95Å; V235-A239 HydrophobicContact CG2-CB 4.15Å; P236-A239 PolarHBondContact O-N 3.32Å; A237-A239 PolarHBondContact O-N 3.28Å; A239-V241 PolarHBondContact O-N 3.34Å; A239-H242 PolarHBondContact O-N 2.88Å; A239-L243 PolarHBondContact O-N 3.25Å
240	A	98.7	Very high	98.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-45.3	-175.5	0	0	0	0	0	112.7	P37 L38 A178 V235 P236 A237 L243 A244	P37-A240 HydrophobicContact CB-CB 3.9Å; L38-A240 HydrophobicContact CD2-CB 4.18Å; A178-A240 HydrophobicContact CB-CB 3.5Å; A178-A240 VanDerWaalsContact CB-CB 3.5Å; V235-A240 HydrophobicContact CG1-CB 4.18Å; P236-A240 PolarHBondContact O-N 2.86Å; A237-A240 VanDerWaalsContact O-CB 3.32Å; A237-A240 WeakPolarHBondContact O-CB 3.46Å; A237-A240 PolarHBondContact O-N 3.06Å; A240-L243 PolarHBondContact O-N 3.19Å; A240-A244 WeakPolarHBondContact O-CB 3.41Å; A240-A244 PolarHBondContact O-N 3.49Å
241	V	98.8	Very high	98.7	Very high	65 Å²	65	42 Å²	42	39%	0.394	23%	0.231	S	C	.	.	H	α-helix	trans	-64.7	-41.3	179.4	176.7	0	0	0	0	111.3	P37 L38 F41 A239 T245	P37-V241 WeakPolarHBondContact O-CG2 3.27Å; L38-V241 HydrophobicContact CD2-CB 4.34Å; L38-V241 HydrophobicContact CD2-CG2 3.83Å; F41-V241 HydrophobicContact CD2-CG1 4.34Å; A239-V241 PolarHBondContact O-N 3.34Å; V241-T245 VanDerWaalsContact O-CB 3.23Å; V241-T245 WeakPolarHBondContact O-CB 3.17Å; V241-T245 PolarHBondContact O-N 3.02Å; V241-T245 PolarHBondContact O-OG1 3.09Å
242	H	98.8	Very high	98.6	Very high	104 Å²	104	44.7 Å²	44.7	48%	0.481	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-49.2	176.4	170.8	80.1	0	0	0	110.8	F213 V215 A239 T245 A246	F213-H242 PolarHBondContact O-NE2 2.7Å; V215-H242 VanDerWaalsContact CG2-CD2 3.44Å; V215-H242 WeakPolarHBondContact CG2-CD2 3.21Å; A239-H242 PolarHBondContact O-N 2.88Å; H242-T245 PolarHBondContact O-N 2.8Å; H242-A246 WeakPolarHBondContact O-CB 3.28Å; H242-A246 PolarHBondContact O-N 3.44Å
243	L	98.8	Very high	98.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-48.3	178.7	176.7	59	0	0	0	112	L180 V212 F213 I233 V235 A239 A240 T245 A246 L247	L180-L243 HydrophobicContact CD1-CB 4.41Å; L180-L243 HydrophobicContact CD1-CD2 3.9Å; L180-L243 HydrophobicContact CD1-CG 4Å; V212-L243 HydrophobicContact CB-CD1 4.31Å; V212-L243 HydrophobicContact CG1-CD1 3.52Å; F213-L243 HydrophobicContact CB-CD1 4.35Å; F213-L243 HydrophobicContact CD2-CD1 3.85Å; I233-L243 HydrophobicContact CB-CD2 4.28Å; I233-L243 HydrophobicContact CD1-CD2 4.29Å; I233-L243 HydrophobicContact CG2-CD2 3.69Å; V235-L243 HydrophobicContact CB-CD2 3.86Å; V235-L243 HydrophobicContact CG1-CD2 4.05Å; V235-L243 HydrophobicContact CG2-CB 4.43Å; V235-L243 HydrophobicContact CG2-CD2 3.85Å; A239-L243 PolarHBondContact O-N 3.25Å; A240-L243 PolarHBondContact O-N 3.19Å; L243-T245 VanDerWaalsContact C-N 3.31Å; L243-T245 PolarHBondContact O-N 2.65Å; L243-A246 PolarHBondContact O-N 2.91Å; L243-L247 HydrophobicContact CD1-CD1 4.12Å; L243-L247 HydrophobicContact CD1-CG 4.24Å; L243-L247 HydrophobicContact CG-CD1 4.15Å; L243-L247 WeakPolarHBondContact O-CG 3.24Å; L243-L247 PolarHBondContact O-N 3.11Å
244	A	98.9	Very high	98.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-41.6	178.5	0	0	0	0	0	111.8	L38 F41 L78 L180 A240 L247 L248	L38-A244 HydrophobicContact CD1-CB 4Å; L38-A244 HydrophobicContact CD2-CB 3.82Å; F41-A244 HydrophobicContact CE1-CB 4.17Å; F41-A244 HydrophobicContact CE2-CB 4.19Å; F41-A244 HydrophobicContact CZ-CB 3.93Å; L78-A244 HydrophobicContact CD2-CB 4.09Å; L180-A244 HydrophobicContact CD1-CB 4.13Å; A240-A244 WeakPolarHBondContact O-CB 3.41Å; A240-A244 PolarHBondContact O-N 3.49Å; A244-L247 PolarHBondContact O-N 3.42Å; A244-L248 WeakPolarHBondContact O-CB 3.44Å; A244-L248 PolarHBondContact O-N 3.42Å
245	T	98.9	Very high	98.6	Very high	57 Å²	57	49.2 Å²	49.2	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-42.5	175.7	-57.9	0	0	0	0	111.3	V241 H242 L243 L248 K249	V241-T245 VanDerWaalsContact O-CB 3.23Å; V241-T245 WeakPolarHBondContact O-CB 3.17Å; V241-T245 PolarHBondContact O-N 3.02Å; V241-T245 PolarHBondContact O-OG1 3.09Å; H242-T245 PolarHBondContact O-N 2.8Å; L243-T245 VanDerWaalsContact C-N 3.31Å; L243-T245 PolarHBondContact O-N 2.65Å; T245-L248 PolarHBondContact O-N 3.27Å; T245-K249 WeakPolarHBondContact O-CG 3.3Å; T245-K249 PolarHBondContact O-N 2.88Å
246	A	98.8	Very high	98.6	Very high	13 Å²	13	49.3 Å²	49.3	11%	0.107	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-44.3	178.7	0	0	0	0	0	111.9	F213 H242 L243 K249	F213-A246 HydrophobicContact CB-CB 3.82Å; F213-A246 HydrophobicContact CD1-CB 3.9Å; F213-A246 HydrophobicContact CD2-CB 4.28Å; F213-A246 HydrophobicContact CG-CB 3.74Å; H242-A246 WeakPolarHBondContact O-CB 3.28Å; H242-A246 PolarHBondContact O-N 3.44Å; L243-A246 PolarHBondContact O-N 2.91Å; A246-K249 WeakPolarHBondContact O-CB 3.21Å; A246-K249 PolarHBondContact O-N 3.42Å
247	L	98.8	Very high	98.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-45.2	175.4	-72.3	169.2	0	0	0	111.8	L78 L182 V190 L191 F213 I233 L243 A244 K249 N250 V253	L78-L247 HydrophobicContact CD1-CD1 3.88Å; L78-L247 HydrophobicContact CD2-CB 4.31Å; L78-L247 HydrophobicContact CD2-CD1 4.37Å; L182-L247 HydrophobicContact CD2-CD2 4.01Å; V190-L247 HydrophobicContact CG1-CD2 3.98Å; L191-L247 HydrophobicContact CD1-CD2 4.4Å; F213-L247 HydrophobicContact CD2-CD2 4.26Å; F213-L247 HydrophobicContact CD2-CG 4.48Å; F213-L247 HydrophobicContact CE2-CD2 3.53Å; F213-L247 HydrophobicContact CE2-CG 4.16Å; F213-L247 HydrophobicContact CZ-CD2 4.27Å; I233-L247 HydrophobicContact CD1-CD1 4.17Å; L243-L247 HydrophobicContact CD1-CD1 4.12Å; L243-L247 HydrophobicContact CD1-CG 4.24Å; L243-L247 HydrophobicContact CG-CD1 4.15Å; L243-L247 WeakPolarHBondContact O-CG 3.24Å; L243-L247 PolarHBondContact O-N 3.11Å; A244-L247 PolarHBondContact O-N 3.42Å; L247-K249 PolarHBondContact O-N 2.9Å; L247-N250 PolarHBondContact O-N 3.45Å; L247-N250 VanDerWaalsContact O-N 3.12Å; L247-V253 WeakPolarHBondContact O-CG2 3.41Å
248	L	98.7	Very high	98.7	Very high	44 Å²	44	47.7 Å²	47.7	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-11.9	-177.2	-162.8	64.9	0	0	0	113.8	F41 H45 A244 T245 N250 V253 L255	F41-L248 HydrophobicContact CZ-CD2 3.8Å; H45-L248 VanDerWaalsContact CD2-CD2 3.49Å; H45-L248 WeakPolarHBondContact CD2-CD2 3.4Å; H45-L248 WeakPolarHBondContact NE2-CD2 3.43Å; A244-L248 WeakPolarHBondContact O-CB 3.44Å; A244-L248 PolarHBondContact O-N 3.42Å; T245-L248 PolarHBondContact O-N 3.27Å; L248-N250 PolarHBondContact O-N 3.45Å; L248-V253 HydrophobicContact CD1-CB 4.48Å; L248-V253 HydrophobicContact CD1-CG1 4.07Å; L248-L255 HydrophobicContact CD1-CD2 4.03Å; L248-L255 HydrophobicContact CD1-CG 4.05Å; L248-L255 HydrophobicContact CD2-CD1 4.22Å; L248-L255 HydrophobicContact CD2-CD2 4.27Å; L248-L255 HydrophobicContact CD2-CG 4.18Å
249	K	98.6	Very high	98.7	Very high	168 Å²	168	41 Å²	41	73%	0.73	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.7	170.3	-73.6	172.9	-176.4	178.4	0	112.5	T245 A246 L247	T245-K249 WeakPolarHBondContact O-CG 3.3Å; T245-K249 PolarHBondContact O-N 2.88Å; A246-K249 WeakPolarHBondContact O-CB 3.21Å; A246-K249 PolarHBondContact O-N 3.42Å; L247-K249 PolarHBondContact O-N 2.9Å
250	N	98.6	Very high	98.7	Very high	48 Å²	48	40.2 Å²	40.2	26%	0.257	22%	0.215	S	C	.	.	S	Bend	trans	-79.8	125.2	177.3	-169.4	-46.6	0	0	0	109.9	V190 L247 L248 E252 V253	V190-N250 HydrophobicContact CG1-CB 4.09Å; V190-N250 HydrophobicContact CG2-CB 4.38Å; L247-N250 PolarHBondContact O-N 3.45Å; L247-N250 VanDerWaalsContact O-N 3.12Å; L248-N250 PolarHBondContact O-N 3.45Å; N250-E252 PolarHBondContact O-N 2.76Å; N250-E252 VanDerWaalsContact O-N 3.1Å; N250-E252 WeakPolarHBondContact OD1-CB 3.43Å; N250-E252 PolarHBondContact OD1-N 2.83Å; N250-V253 HydrophobicContact CB-CG2 4.13Å; N250-V253 PolarHBondContact O-N 2.87Å
251	P	98.3	Very high	98.7	Very high	118 Å²	118	41.8 Å²	41.8	77%	0.766	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.4	-176.1	27.2	-36.9	0	0	0	114.4	V253	P251-V253 PolarHBondContact O-N 3.5Å
252	E	98.6	Very high	98.7	Very high	58 Å²	58	41.3 Å²	41.3	27%	0.271	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.5	173.9	-69.2	-70.9	125	0	0	112.9	H71 H75 C76 T186 V190 N250	H71-E252 PolarHBondContact CE1-O 2.94Å; H71-E252 PolarHBondContact NE2-O 2.83Å; H75-E252 WeakPolarHBondContact CB-O 3.48Å; H75-E252 IonicContact CE1-OE1 3.2Å; H75-E252 IonicContact CE1-OE2 2.76Å; H75-E252 IonicContact CG-OE2 3.17Å; H75-E252 IonicContact ND1-OE1 2.76Å; H75-E252 PolarHBondContact ND1-OE1 3Å; H75-E252 IonicContact ND1-OE2 2.89Å; H75-E252 PolarHBondContact ND1-OE2 2.72Å; C76-E252 PolarHBondContact N-O 2.8Å; T186-E252 WeakPolarHBondContact CG2-OE2 3.24Å; T186-E252 PolarHBondContact OG1-OE2 3.37Å; V190-E252 HydrophobicContact CG2-CB 3.97Å; N250-E252 PolarHBondContact O-N 2.76Å; N250-E252 VanDerWaalsContact O-N 3.1Å; N250-E252 WeakPolarHBondContact OD1-CB 3.43Å; N250-E252 PolarHBondContact OD1-N 2.83Å
253	V	98.9	Very high	98.7	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.4	-173.8	-174.8	0	0	0	0	110.8	C76 L78 L182 V190 L247 L248 N250 P251	C76-V253 WeakPolarHBondContact O-CA 3.34Å; L78-V253 HydrophobicContact CB-CG1 3.87Å; L182-V253 HydrophobicContact CD1-CG1 4.06Å; L182-V253 HydrophobicContact CD1-CG2 4.15Å; V190-V253 HydrophobicContact CB-CG2 4.34Å; V190-V253 HydrophobicContact CG1-CG2 3.58Å; V190-V253 HydrophobicContact CG2-CG2 3.97Å; L247-V253 WeakPolarHBondContact O-CG2 3.41Å; L248-V253 HydrophobicContact CD1-CB 4.48Å; L248-V253 HydrophobicContact CD1-CG1 4.07Å; N250-V253 HydrophobicContact CB-CG2 4.13Å; N250-V253 PolarHBondContact O-N 2.87Å; P251-V253 PolarHBondContact O-N 3.5Å
254	K	98.9	Very high	98.8	Very high	80 Å²	80	36.6 Å²	36.6	35%	0.348	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.7	163.5	-71.9	-171.2	177.4	-171.7	0	111.5	D63 C76 S77 L78	D63-K254 WeakPolarHBondContact OD2-CD 3.36Å; D63-K254 IonicContact OD2-NZ 3.85Å; D63-K254 PolarHBondContact OD2-NZ 2.88Å; C76-K254 PolarHBondContact O-N 3.29Å; S77-K254 CarbonylContact C-O 3.59Å; S77-K254 WeakPolarHBondContact CA-O 3.45Å; S77-K254 WeakPolarHBondContact CB-O 3.36Å; L78-K254 PolarHBondContact N-O 3.48Å
255	L	98.9	Very high	98.8	Very high	21 Å²	21	36.7 Å²	36.7	11%	0.11	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.1	170.5	-56.3	178.9	0	0	0	110	F41 H45 Y61 L78 L248	F41-L255 HydrophobicContact CE1-CD1 3.75Å; F41-L255 HydrophobicContact CE1-CD2 3.84Å; F41-L255 HydrophobicContact CE1-CG 4.45Å; F41-L255 HydrophobicContact CZ-CD1 4.41Å; F41-L255 HydrophobicContact CZ-CD2 4.35Å; H45-L255 HydrophobicContact CB-CD1 3.49Å; H45-L255 VanDerWaalsContact CB-CD1 3.49Å; Y61-L255 HydrophobicContact CD1-CB 4.14Å; Y61-L255 HydrophobicContact CD1-CD1 3.92Å; Y61-L255 HydrophobicContact CD2-CB 3.68Å; Y61-L255 HydrophobicContact CE1-CB 3.9Å; Y61-L255 HydrophobicContact CE1-CD1 3.38Å; Y61-L255 HydrophobicContact CE1-CG 4.27Å; Y61-L255 HydrophobicContact CE2-CB 3.42Å; Y61-L255 VanDerWaalsContact CE2-CB 3.42Å; Y61-L255 HydrophobicContact CE2-CD1 4.44Å; Y61-L255 HydrophobicContact CG-CB 4.03Å; Y61-L255 VanDerWaalsContact CZ-CB 3.5Å; L78-L255 HydrophobicContact CB-CD2 4.09Å; L78-L255 HydrophobicContact CD2-CD2 3.98Å; L78-L255 HydrophobicContact CG-CD2 4.32Å; L248-L255 HydrophobicContact CD1-CD2 4.03Å; L248-L255 HydrophobicContact CD1-CG 4.05Å; L248-L255 HydrophobicContact CD2-CD1 4.22Å; L248-L255 HydrophobicContact CD2-CD2 4.27Å; L248-L255 HydrophobicContact CD2-CG 4.18Å
256	A	98.9	Very high	98.8	Very high	3 Å²	3	34 Å²	34	3%	0.025	18%	0.179	C	C	.	.			trans	-126.8	139.9	175.5	0	0	0	0	0	111	S68 L78 F79 A260	S68-A256 WeakPolarHBondContact OG-CB 3.4Å; L78-A256 PolarHBondContact O-N 2.91Å; F79-A256 HydrophobicContact CD1-CB 3.77Å; F79-A256 WeakPolarHBondContact CD1-O 3.2Å; F79-A256 HydrophobicContact CD2-CB 4.39Å; F79-A256 HydrophobicContact CE1-CB 3.25Å; F79-A256 HydrophobicContact CE2-CB 3.92Å; F79-A256 HydrophobicContact CG-CB 4.32Å; F79-A256 HydrophobicContact CZ-CB 3.33Å; A256-A260 HydrophobicContact CB-CB 4.32Å
257	G	98.7	Very high	98.8	Very high	4 Å²	4	33.4 Å²	33.4	4%	0.041	17%	0.174	C	C	.	.			trans	-102.8	-176.5	-177.7	0	0	0	0	0	113.5	P58 V59 A259 A260 R261	P58-G257 WeakPolarHBondContact O-CA 3.45Å; V59-G257 CarbonylContact O-C 3.59Å; G257-A259 VanDerWaalsContact C-N 3.29Å; G257-A259 PolarHBondContact O-N 2.89Å; G257-A260 PolarHBondContact O-N 3.2Å; G257-R261 PolarHBondContact O-N 2.69Å; G257-R261 VanDerWaalsContact O-N 3.07Å
258	L	98.8	Very high	98.8	Very high	25 Å²	25	33.6 Å²	33.6	13%	0.131	18%	0.176	C	C	.	.	H	α-helix	trans	-56.2	-37.2	-175.8	-58.9	170.2	0	0	0	113.7	V50 F52 L57 P58 V59 R261 D262	V50-L258 HydrophobicContact CG2-CD1 3.91Å; F52-L258 HydrophobicContact CB-CD1 3.62Å; F52-L258 HydrophobicContact CD1-CD1 4.41Å; F52-L258 HydrophobicContact CD1-CD2 4.13Å; F52-L258 HydrophobicContact CD2-CD1 3.8Å; F52-L258 HydrophobicContact CD2-CD2 4.34Å; F52-L258 HydrophobicContact CE1-CD2 4.27Å; F52-L258 HydrophobicContact CE2-CD2 4.48Å; F52-L258 HydrophobicContact CG-CD1 3.68Å; F52-L258 HydrophobicContact CG-CD2 4.16Å; F52-L258 HydrophobicContact CZ-CD2 4.44Å; L57-L258 HydrophobicContact CB-CD1 4.13Å; L57-L258 HydrophobicContact CB-CG 4.5Å; L57-L258 HydrophobicContact CD1-CD2 4.45Å; P58-L258 PolarHBondContact O-N 3.49Å; V59-L258 PolarHBondContact O-N 2.62Å; L258-R261 WeakPolarHBondContact O-CB 3.44Å; L258-R261 PolarHBondContact O-N 3.18Å; L258-D262 PolarHBondContact O-N 3.08Å
259	A	98.6	Very high	98.8	Very high	27 Å²	27	32 Å²	32	22%	0.223	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-38.2	-178.8	0	0	0	0	0	112.8	V59 H65 G257 S263	V59-A259 HydrophobicContact CG2-CB 4.06Å; V59-A259 WeakPolarHBondContact O-CB 3.48Å; V59-A259 PolarHBondContact O-N 3.48Å; H65-A259 HydrophobicContact CB-CB 3.56Å; G257-A259 VanDerWaalsContact C-N 3.29Å; G257-A259 PolarHBondContact O-N 2.89Å; A259-S263 PolarHBondContact O-N 3.4Å; A259-S263 PolarHBondContact O-OG 2.67Å; A259-S263 VanDerWaalsContact O-OG 3.09Å
260	A	98.8	Very high	98.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-70.1	-40.6	173.5	0	0	0	0	0	110.6	A256 G257 D262 S263 L264	A256-A260 HydrophobicContact CB-CB 4.32Å; G257-A260 PolarHBondContact O-N 3.2Å; A260-D262 PolarHBondContact O-N 2.82Å; A260-S263 PolarHBondContact O-N 2.67Å; A260-S263 PolarHBondContact O-OG 2.93Å; A260-S263 VanDerWaalsContact O-OG 3.05Å; A260-L264 WeakPolarHBondContact O-CB 3.48Å; A260-L264 WeakPolarHBondContact O-CD1 3.48Å; A260-L264 VanDerWaalsContact O-CG 3.24Å; A260-L264 WeakPolarHBondContact O-CG 3.38Å; A260-L264 PolarHBondContact O-N 2.86Å
261	R	98.9	Very high	98.8	Very high	34 Å²	34	23.9 Å²	23.9	13%	0.128	14%	0.135	C	C	.	.	H	α-helix	trans	-55.1	-48.4	175.1	-178	179.6	171.2	88.6	-4.3	111.9	F79 V81 Y225 G257 L258 L264 R265	F79-R261 HydrophobicContact CD1-CB 4.13Å; F79-R261 HydrophobicContact CE1-CB 3.86Å; V81-R261 VanDerWaalsContact CG1-NH1 3.31Å; Y225-R261 HydrophobicContact CD1-CG 4.11Å; G257-R261 PolarHBondContact O-N 2.69Å; G257-R261 VanDerWaalsContact O-N 3.07Å; L258-R261 WeakPolarHBondContact O-CB 3.44Å; L258-R261 PolarHBondContact O-N 3.18Å; R261-L264 PolarHBondContact O-N 2.8Å; R261-R265 WeakPolarHBondContact O-CG 3.33Å; R261-R265 PolarHBondContact O-N 3.22Å; R261-R265 VanDerWaalsContact O-N 3.08Å
262	D	98.8	Very high	98.8	Very high	55 Å²	55	20.3 Å²	20.3	29%	0.294	11%	0.109	S	C	.	.	H	α-helix	trans	-68	-37	-178.5	-176	55.8	0	0	0	113.5	L258 A260 R265 L266	L258-D262 PolarHBondContact O-N 3.08Å; A260-D262 PolarHBondContact O-N 2.82Å; D262-R265 VanDerWaalsContact O-CG 3.31Å; D262-R265 WeakPolarHBondContact O-CG 3.47Å; D262-R265 PolarHBondContact O-NE 3.22Å; D262-R265 IonicContact OD1-CZ 3.49Å; D262-R265 VanDerWaalsContact OD1-CZ 3.27Å; D262-R265 IonicContact OD1-NE 3.29Å; D262-R265 PolarHBondContact OD1-NE 3.25Å; D262-R265 IonicContact OD1-NH2 3.58Å; D262-R265 PolarHBondContact OD1-NH2 2.95Å; D262-L266 VanDerWaalsContact O-CB 3.26Å; D262-L266 WeakPolarHBondContact O-CB 3.39Å; D262-L266 PolarHBondContact O-N 2.89Å
263	S	98.8	Very high	98.8	Very high	5 Å²	5	19 Å²	19	4%	0.035	10%	0.102	C	C	.	.	H	α-helix	trans	-72.4	-37.8	176.5	52.7	0	0	0	0	112.7	H69 A259 A260 E267	H69-S263 WeakPolarHBondContact ND1-CB 3.32Å; H69-S263 PolarHBondContact ND1-OG 3.48Å; A259-S263 PolarHBondContact O-N 3.4Å; A259-S263 PolarHBondContact O-OG 2.67Å; A259-S263 VanDerWaalsContact O-OG 3.09Å; A260-S263 PolarHBondContact O-N 2.67Å; A260-S263 PolarHBondContact O-OG 2.93Å; A260-S263 VanDerWaalsContact O-OG 3.05Å; S263-E267 PolarHBondContact O-N 3.35Å; S263-E267 VanDerWaalsContact O-N 3.14Å
264	L	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-49.5	177.4	-73.9	163.5	0	0	0	112	H69 T72 R73 F79 T226 A260 R261 L266 E267 A268	H69-L264 PolarHBondContact ND1-N 2.82Å; T72-L264 HydrophobicContact CG2-CD1 3.64Å; T72-L264 HydrophobicContact CG2-CD2 4.36Å; R73-L264 HydrophobicContact CG-CD2 3.79Å; R73-L264 PolarHBondContact NH2-O 2.97Å; F79-L264 HydrophobicContact CZ-CD1 3.79Å; T226-L264 HydrophobicContact CG2-CB 4.24Å; T226-L264 HydrophobicContact CG2-CD1 4.02Å; A260-L264 WeakPolarHBondContact O-CB 3.48Å; A260-L264 WeakPolarHBondContact O-CD1 3.48Å; A260-L264 VanDerWaalsContact O-CG 3.24Å; A260-L264 WeakPolarHBondContact O-CG 3.38Å; A260-L264 PolarHBondContact O-N 2.86Å; R261-L264 PolarHBondContact O-N 2.8Å; L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 2.88Å; L264-E267 PolarHBondContact O-N 3.23Å; L264-A268 WeakPolarHBondContact O-CB 3.24Å; L264-A268 PolarHBondContact O-N 3.22Å
265	R	98.9	Very high	98.7	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-38.4	179.3	72.7	86.6	-168.7	-179.6	-8.4	111.8	Y225 R261 D262 A268 G269 L270 D276 S349	Y225-R265 HydrophobicContact CD1-CB 3.52Å; Y225-R265 HydrophobicContact CD1-CG 4.04Å; Y225-R265 HydrophobicContact CD2-CB 4.32Å; Y225-R265 HydrophobicContact CE1-CB 3.3Å; Y225-R265 HydrophobicContact CE1-CG 3.37Å; Y225-R265 HydrophobicContact CE2-CB 4.12Å; Y225-R265 HydrophobicContact CG-CB 4.04Å; Y225-R265 VanDerWaalsContact O-CB 3.29Å; Y225-R265 WeakPolarHBondContact O-CB 3.44Å; Y225-R265 WeakPolarHBondContact OH-CD 3.2Å; R261-R265 WeakPolarHBondContact O-CG 3.33Å; R261-R265 PolarHBondContact O-N 3.22Å; R261-R265 VanDerWaalsContact O-N 3.08Å; D262-R265 VanDerWaalsContact O-CG 3.31Å; D262-R265 WeakPolarHBondContact O-CG 3.47Å; D262-R265 PolarHBondContact O-NE 3.22Å; D262-R265 IonicContact OD1-CZ 3.49Å; D262-R265 VanDerWaalsContact OD1-CZ 3.27Å; D262-R265 IonicContact OD1-NE 3.29Å; D262-R265 PolarHBondContact OD1-NE 3.25Å; D262-R265 IonicContact OD1-NH2 3.58Å; D262-R265 PolarHBondContact OD1-NH2 2.95Å; R265-A268 CarbonylContact O-C 3.35Å; R265-A268 PolarHBondContact O-N 3.34Å; R265-G269 PolarHBondContact O-N 3.34Å; R265-G269 VanDerWaalsContact O-N 3.14Å; R265-L270 HydrophobicContact CB-CB 4.25Å; R265-L270 HydrophobicContact CB-CD1 4.48Å; R265-L270 WeakPolarHBondContact CD-O 3.28Å; R265-L270 PolarHBondContact NH1-O 3.45Å; R265-L270 VanDerWaalsContact NH1-O 3.08Å; R265-L270 PolarHBondContact O-N 3.09Å; R265-D276 IonicContact CZ-OD2 3.59Å; R265-D276 IonicContact NH1-OD2 3.44Å; R265-D276 PolarHBondContact NH1-OD2 2.93Å; R265-D276 IonicContact NH2-OD2 2.86Å; R265-S349 VanDerWaalsContact NH2-CB 3.34Å; R265-S349 PolarHBondContact NH2-OG 2.86Å
266	L	98.9	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.7	-46	-178	-177.4	61.4	0	0	0	110.2	D262 L264 A268 G269 V360 M362 F394	D262-L266 VanDerWaalsContact O-CB 3.26Å; D262-L266 WeakPolarHBondContact O-CB 3.39Å; D262-L266 PolarHBondContact O-N 2.89Å; L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 2.88Å; L266-A268 PolarHBondContact O-N 2.99Å; L266-G269 PolarHBondContact O-N 3.07Å; L266-V360 HydrophobicContact CD2-CG2 3.85Å; L266-V360 HydrophobicContact CG-CG2 4Å; L266-M362 HydrophobicContact CD1-CB 4.37Å; L266-M362 HydrophobicContact CD1-CE 3.9Å; L266-M362 HydrophobicContact CD1-CG 3.73Å; L266-M362 HydrophobicContact CD1-SD 4.04Å; L266-F394 WeakPolarHBondContact O-CD2 3.27Å; L266-F394 VanDerWaalsContact O-CE2 3.28Å; L266-F394 WeakPolarHBondContact O-CE2 3.46Å
267	E	98.9	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-35.5	172.2	-80.1	-175.2	-178.5	0	0	112.5	H69 R73 S263 L264 G269 S353 S355 V360 F394 V395	H69-E267 IonicContact CE1-OE1 3.38Å; H69-E267 PolarHBondContact CE1-OE1 2.67Å; H69-E267 IonicContact CE1-OE2 3.83Å; H69-E267 PolarHBondContact CE1-OE2 3.32Å; H69-E267 VanDerWaalsContact NE2-CD 3.31Å; H69-E267 IonicContact NE2-OE1 3.62Å; H69-E267 PolarHBondContact NE2-OE1 2.9Å; H69-E267 IonicContact NE2-OE2 4Å; H69-E267 PolarHBondContact NE2-OE2 2.78Å; R73-E267 IonicContact CZ-OE2 3.53Å; R73-E267 IonicContact NE-OE2 2.72Å; R73-E267 PolarHBondContact NE-OE2 2.9Å; R73-E267 IonicContact NH2-OE2 2.65Å; R73-E267 PolarHBondContact NH2-OE2 2.94Å; S263-E267 PolarHBondContact O-N 3.35Å; S263-E267 VanDerWaalsContact O-N 3.14Å; L264-E267 PolarHBondContact O-N 3.23Å; E267-G269 PolarHBondContact O-N 2.92Å; E267-S353 VanDerWaalsContact CD-OG 3.31Å; E267-S353 WeakPolarHBondContact OE1-CA 3.35Å; E267-S353 WeakPolarHBondContact OE1-CB 3.38Å; E267-S353 PolarHBondContact OE1-OG 2.8Å; E267-S355 WeakPolarHBondContact OE1-CB 3.34Å; E267-S355 PolarHBondContact OE1-N 3.31Å; E267-S355 VanDerWaalsContact OE1-N 3.16Å; E267-S355 PolarHBondContact OE1-OG 2.7Å; E267-S355 WeakPolarHBondContact OE2-CB 3.29Å; E267-S355 PolarHBondContact OE2-OG 2.99Å; E267-V360 HydrophobicContact CG-CG2 4.41Å; E267-F394 PolarHBondContact O-N 2.95Å; E267-V395 HydrophobicContact CB-CB 4.49Å; E267-V395 HydrophobicContact CB-CG2 4.08Å; E267-V395 HydrophobicContact CG-CG2 4.19Å; E267-V395 PolarHBondContact O-N 3.4Å
268	A	98.8	Very high	98.7	Very high	5 Å²	5	21.9 Å²	21.9	4%	0.041	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.2	175.1	0	0	0	0	0	114.1	L264 R265 L266 L270 P393	L264-A268 WeakPolarHBondContact O-CB 3.24Å; L264-A268 PolarHBondContact O-N 3.22Å; R265-A268 CarbonylContact O-C 3.35Å; R265-A268 PolarHBondContact O-N 3.34Å; L266-A268 PolarHBondContact O-N 2.99Å; A268-L270 HydrophobicContact CB-CD1 4.03Å; A268-L270 HydrophobicContact CB-CG 3.89Å; A268-L270 PolarHBondContact O-N 2.98Å; A268-P393 WeakPolarHBondContact O-CB 3.48Å
269	G	98.7	Very high	98.7	Very high	10 Å²	10	24.4 Å²	24.4	10%	0.103	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	13.6	178	0	0	0	0	0	114.7	R265 L266 E267 R320 M362	R265-G269 PolarHBondContact O-N 3.34Å; R265-G269 VanDerWaalsContact O-N 3.14Å; L266-G269 PolarHBondContact O-N 3.07Å; E267-G269 PolarHBondContact O-N 2.92Å; G269-R320 PolarHBondContact O-NH1 3.35Å; G269-M362 VanDerWaalsContact O-CE 3.31Å; G269-M362 WeakPolarHBondContact O-CE 3.48Å
270	L	98.9	Very high	98.6	Very high	38 Å²	38	30.3 Å²	30.3	20%	0.199	17%	0.165	C	C	.	.			trans	-84.4	133.8	-176.4	-54.7	177.6	0	0	0	111.1	Y225 R265 A268	Y225-L270 HydrophobicContact CD2-CB 4.12Å; Y225-L270 HydrophobicContact CD2-CD1 3.69Å; Y225-L270 HydrophobicContact CE2-CB 3.73Å; Y225-L270 HydrophobicContact CE2-CD1 4.19Å; Y225-L270 HydrophobicContact CG-CD1 4.27Å; R265-L270 HydrophobicContact CB-CB 4.25Å; R265-L270 HydrophobicContact CB-CD1 4.48Å; R265-L270 WeakPolarHBondContact CD-O 3.28Å; R265-L270 PolarHBondContact NH1-O 3.45Å; R265-L270 VanDerWaalsContact NH1-O 3.08Å; R265-L270 PolarHBondContact O-N 3.09Å; A268-L270 HydrophobicContact CB-CD1 4.03Å; A268-L270 HydrophobicContact CB-CG 3.89Å; A268-L270 PolarHBondContact O-N 2.98Å
271	C	98.9	Very high	98.6	Very high	7 Å²	7	30.4 Å²	30.4	5%	0.047	17%	0.166	C	C	.	.			trans	-67.9	146.2	179.1	-64.6	0	0	0	0	111.2	Y225 D276 I277 R320	Y225-C271 WeakPolarHBondContact CE2-O 3.42Å; Y225-C271 PolarHBondContact OH-O 3.08Å; C271-D276 HydrophobicContact CB-CB 4.21Å; C271-I277 HydrophobicContact CB-CD1 3.78Å; C271-I277 HydrophobicContact CB-CG1 4.05Å; C271-I277 HydrophobicContact CB-CG2 4.44Å; C271-R320 PolarHBondContact SG-NE 3.27Å; C271-R320 VanDerWaalsContact SG-NE 3.39Å
272	L	98.6	Very high	98.6	Very high	43 Å²	43	29.1 Å²	29.1	23%	0.225	16%	0.162	C	C	.	.			trans	-107.4	115.3	163	175.2	63.4	0	0	0	108.3	Y225 N275 D276	Y225-L272 WeakPolarHBondContact OH-CA 3.4Å; L272-N275 HydrophobicContact CB-CB 4.25Å; L272-N275 HydrophobicContact CD2-CB 4.11Å; L272-N275 HydrophobicContact CG-CB 4.15Å; L272-N275 PolarHBondContact O-N 3.1Å; L272-N275 VanDerWaalsContact O-N 3.12Å; L272-D276 PolarHBondContact N-OD2 3.46Å; L272-D276 PolarHBondContact O-N 3.48Å
273	Y	98.5	Very high	98.6	Very high	31 Å²	31	26.5 Å²	26.5	12%	0.122	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-59.3	141.5	176.2	-174.7	-90.4	0	0	0	111.8	I126 L127 D128 D129 C148 K151 N275 I277	I126-Y273 HydrophobicContact CG2-CD2 4.29Å; I126-Y273 HydrophobicContact CG2-CE2 4.08Å; I126-Y273 WeakPolarHBondContact O-CE2 3.4Å; I126-Y273 PolarHBondContact O-OH 3.03Å; L127-Y273 VanDerWaalsContact C-CE2 3.49Å; L127-Y273 VanDerWaalsContact O-CE2 3.28Å; L127-Y273 WeakPolarHBondContact O-CE2 3.4Å; L127-Y273 PolarHBondContact O-OH 3.31Å; D128-Y273 WeakPolarHBondContact OD1-CD1 3.33Å; D129-Y273 WeakPolarHBondContact OD1-CB 3.4Å; C148-Y273 WeakPolarHBondContact SG-CD1 3.47Å; C148-Y273 WeakPolarHBondContact SG-CE1 3.45Å; K151-Y273 PolarHBondContact NZ-OH 3.24Å; Y273-N275 PolarHBondContact O-N 2.92Å; Y273-I277 HydrophobicContact CD2-CD1 4.36Å; Y273-I277 HydrophobicContact CD2-CG1 4.01Å
274	G	96.8	Very high	98.6	Very high	50 Å²	50	26.9 Å²	26.9	52%	0.515	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-11.2	-173.6	0	0	0	0	0	114	I277	G274-I277 PolarHBondContact N-O 2.92Å
275	N	98.1	Very high	98.6	Very high	71 Å²	71	27.8 Å²	27.8	38%	0.38	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-66.3	173.5	-76.5	56.8	0	0	0	111	L272 Y273 T348	L272-N275 HydrophobicContact CB-CB 4.25Å; L272-N275 HydrophobicContact CD2-CB 4.11Å; L272-N275 HydrophobicContact CG-CB 4.15Å; L272-N275 PolarHBondContact O-N 3.1Å; L272-N275 VanDerWaalsContact O-N 3.12Å; Y273-N275 PolarHBondContact O-N 2.92Å; N275-T348 PolarHBondContact ND2-O 2.94Å; N275-T348 WeakPolarHBondContact O-CB 3.33Å; N275-T348 VanDerWaalsContact O-CG2 3.23Å; N275-T348 WeakPolarHBondContact O-CG2 3.32Å
276	D	98.8	Very high	98.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-22.3	-171.3	-54.2	-50.5	0	0	0	112.9	R265 C271 L272 T348 S349 M362 Y364	R265-D276 IonicContact CZ-OD2 3.59Å; R265-D276 IonicContact NH1-OD2 3.44Å; R265-D276 PolarHBondContact NH1-OD2 2.93Å; R265-D276 IonicContact NH2-OD2 2.86Å; C271-D276 HydrophobicContact CB-CB 4.21Å; L272-D276 PolarHBondContact N-OD2 3.46Å; L272-D276 PolarHBondContact O-N 3.48Å; D276-T348 VanDerWaalsContact OD1-CB 3.24Å; D276-T348 WeakPolarHBondContact OD1-CB 3.15Å; D276-T348 PolarHBondContact OD1-OG1 2.83Å; D276-S349 VanDerWaalsContact CG-OG 3.23Å; D276-S349 VanDerWaalsContact OD1-CB 3.24Å; D276-S349 WeakPolarHBondContact OD1-CB 3.45Å; D276-S349 PolarHBondContact OD1-OG 3.41Å; D276-S349 PolarHBondContact OD2-OG 3.03Å; D276-M362 HydrophobicContact CB-SD 4.38Å; D276-Y364 WeakPolarHBondContact O-CE2 3.4Å; D276-Y364 VanDerWaalsContact O-CZ 3.3Å; D276-Y364 PolarHBondContact O-OH 3.47Å
277	I	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-142.6	143.9	176.7	54.1	178.8	0	0	0	108.4	I126 D129 C271 Y273 G274 T281 L288	I126-I277 HydrophobicContact CD1-CB 3.92Å; I126-I277 HydrophobicContact CD1-CD1 4.34Å; I126-I277 HydrophobicContact CD1-CG2 3.9Å; I126-I277 HydrophobicContact CG2-CD1 4.31Å; D129-I277 HydrophobicContact CB-CD1 4.08Å; C271-I277 HydrophobicContact CB-CD1 3.78Å; C271-I277 HydrophobicContact CB-CG1 4.05Å; C271-I277 HydrophobicContact CB-CG2 4.44Å; Y273-I277 HydrophobicContact CD2-CD1 4.36Å; Y273-I277 HydrophobicContact CD2-CG1 4.01Å; G274-I277 PolarHBondContact N-O 2.92Å; I277-T281 WeakPolarHBondContact CA-OG1 3.49Å; I277-L288 HydrophobicContact CD1-CD1 4.12Å; I277-L288 HydrophobicContact CG2-CD1 4.16Å
278	D	98.8	Very high	98.6	Very high	54 Å²	54	29.5 Å²	29.5	29%	0.289	17%	0.165	S	C	.	.			trans	-155.7	-175.1	-179	63.5	36.8	0	0	0	110.8	I126 H280 T281	I126-D278 PolarHBondContact N-O 3.07Å; I126-D278 VanDerWaalsContact N-O 3.09Å; I126-D278 CarbonylContact O-C 3.47Å; D278-H280 PolarHBondContact O-N 3.36Å; D278-H280 VanDerWaalsContact OD1-CA 3.28Å; D278-H280 WeakPolarHBondContact OD1-CA 3.21Å; D278-H280 WeakPolarHBondContact OD1-CB 3.4Å; D278-H280 PolarHBondContact OD1-N 2.86Å; D278-H280 IonicContact OD1-ND1 2.72Å; D278-T281 PolarHBondContact N-OG1 3.35Å; D278-T281 PolarHBondContact O-N 2.82Å; D278-T281 PolarHBondContact O-OG1 3.03Å; D278-T281 PolarHBondContact OD1-N 3.44Å
279	E	98.6	Very high	98.6	Very high	78 Å²	78	30.6 Å²	30.6	36%	0.364	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.5	-177.7	-53.8	-170.9	-165.7	0	0	114.4	N121 G125 I126 L127 K151	N121-E279 PolarHBondContact ND2-O 2.84Å; G125-E279 WeakPolarHBondContact CA-O 3.24Å; I126-E279 VanDerWaalsContact O-CA 3.3Å; I126-E279 WeakPolarHBondContact O-CA 3.5Å; I126-E279 PolarHBondContact O-N 3.47Å; I126-E279 VanDerWaalsContact O-N 3.09Å; L127-E279 HydrophobicContact CD2-CG 3.94Å; K151-E279 IonicContact NZ-OE1 3.44Å; K151-E279 PolarHBondContact NZ-OE1 3.09Å
280	H	98.4	Very high	98.5	Very high	152 Å²	152	38 Å²	38	70%	0.704	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118	13.5	177.2	-49.1	91.9	0	0	0	112.5	D278 K318	D278-H280 PolarHBondContact O-N 3.36Å; D278-H280 VanDerWaalsContact OD1-CA 3.28Å; D278-H280 WeakPolarHBondContact OD1-CA 3.21Å; D278-H280 WeakPolarHBondContact OD1-CB 3.4Å; D278-H280 PolarHBondContact OD1-N 2.86Å; D278-H280 IonicContact OD1-ND1 2.72Å; H280-K318 PolarHBondContact O-NZ 2.77Å
281	T	98.7	Very high	98.5	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	19%	0.19	C	C	.	.			trans	-121.1	126.3	173.4	59.4	0	0	0	0	109.6	G125 I126 I277 D278 Y364	G125-T281 WeakPolarHBondContact CA-O 3.42Å; I126-T281 WeakPolarHBondContact CG1-O 3.24Å; I126-T281 PolarHBondContact N-O 3.2Å; I126-T281 VanDerWaalsContact N-O 3.15Å; I277-T281 WeakPolarHBondContact CA-OG1 3.49Å; D278-T281 PolarHBondContact N-OG1 3.35Å; D278-T281 PolarHBondContact O-N 2.82Å; D278-T281 PolarHBondContact O-OG1 3.03Å; D278-T281 PolarHBondContact OD1-N 3.44Å; T281-Y364 HydrophobicContact CG2-CE1 4.23Å; T281-Y364 HydrophobicContact CG2-CE2 4.29Å
282	T	98.9	Very high	98.5	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.043	19%	0.188	C	C	.	.			trans	-79.3	161.2	174	78.9	0	0	0	0	111.5	G124 V284 E285 G286 I307 Q311	G124-T282 VanDerWaalsContact O-CA 3.29Å; G124-T282 WeakPolarHBondContact O-CA 3.41Å; T282-V284 PolarHBondContact O-N 3.07Å; T282-V284 VanDerWaalsContact O-N 3.15Å; T282-V284 PolarHBondContact OG1-N 2.92Å; T282-E285 PolarHBondContact N-OE2 3.27Å; T282-E285 VanDerWaalsContact N-OE2 3.09Å; T282-E285 PolarHBondContact O-N 2.62Å; T282-E285 WeakPolarHBondContact OG1-CG 3.1Å; T282-E285 PolarHBondContact OG1-N 3.4Å; T282-E285 VanDerWaalsContact OG1-N 3.11Å; T282-G286 PolarHBondContact O-N 2.89Å; T282-I307 HydrophobicContact CG2-CG2 4.49Å; T282-Q311 VanDerWaalsContact CB-OE1 3.31Å; T282-Q311 PolarHBondContact OG1-OE1 2.87Å
283	P	98.8	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.8	170.3	-28.6	36.2	0	0	0	114.1	V103 L118 T120 G124 I126 L288 S289 L292 I308	V103-P283 HydrophobicContact CG1-CG 4.46Å; L118-P283 HydrophobicContact CD1-CB 3.77Å; L118-P283 HydrophobicContact CD1-CG 3.72Å; T120-P283 HydrophobicContact CG2-CG 4.05Å; G124-P283 WeakPolarHBondContact O-CD 3.47Å; I126-P283 HydrophobicContact CD1-CG 4.41Å; I126-P283 HydrophobicContact CG1-CG 4.18Å; P283-L288 CarbonylContact O-C 3.5Å; P283-L288 VanDerWaalsContact O-C 3.31Å; P283-L288 VanDerWaalsContact O-CA 3.28Å; P283-L288 WeakPolarHBondContact O-CA 3.35Å; P283-L288 WeakPolarHBondContact O-CB 3.21Å; P283-L288 PolarHBondContact O-N 2.95Å; P283-S289 PolarHBondContact O-N 2.95Å; P283-L292 HydrophobicContact CB-CD2 3.84Å; P283-L292 HydrophobicContact CB-CG 4.4Å; P283-L292 HydrophobicContact CG-CD2 4.09Å; P283-I308 HydrophobicContact CG-CD1 4.09Å
284	V	98.6	Very high	98.5	Very high	12 Å²	12	41.3 Å²	41.3	7%	0.073	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-46.6	178.6	-173	0	0	0	0	111.1	T282 G286 S287 L292 I308 Q311 L312 V316	T282-V284 PolarHBondContact O-N 3.07Å; T282-V284 VanDerWaalsContact O-N 3.15Å; T282-V284 PolarHBondContact OG1-N 2.92Å; V284-G286 VanDerWaalsContact C-N 3.27Å; V284-G286 PolarHBondContact O-N 2.78Å; V284-S287 PolarHBondContact O-N 3.08Å; V284-S287 VanDerWaalsContact O-N 3.08Å; V284-L292 HydrophobicContact CG2-CD1 4.31Å; V284-I308 HydrophobicContact CG2-CG2 4.07Å; V284-Q311 HydrophobicContact CB-CB 3.92Å; V284-Q311 HydrophobicContact CG1-CB 3.98Å; V284-Q311 HydrophobicContact CG2-CB 3.94Å; V284-L312 HydrophobicContact CG2-CD2 3.72Å; V284-L312 HydrophobicContact CG2-CG 4.11Å; V284-V316 HydrophobicContact CB-CG1 4.23Å; V284-V316 HydrophobicContact CG1-CG1 3.67Å
285	E	98.6	Very high	98.6	Very high	20 Å²	20	42.7 Å²	42.7	9%	0.093	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-41.4	174.1	-66.2	-179.9	142.1	0	0	111	T282 S287 V316 K318 R319 R320 Y364	T282-E285 PolarHBondContact N-OE2 3.27Å; T282-E285 VanDerWaalsContact N-OE2 3.09Å; T282-E285 PolarHBondContact O-N 2.62Å; T282-E285 WeakPolarHBondContact OG1-CG 3.1Å; T282-E285 PolarHBondContact OG1-N 3.4Å; T282-E285 VanDerWaalsContact OG1-N 3.11Å; E285-S287 PolarHBondContact O-N 3.46Å; E285-S287 VanDerWaalsContact O-N 3.07Å; E285-V316 HydrophobicContact CG-CB 4.16Å; E285-V316 HydrophobicContact CG-CG1 4.26Å; E285-K318 HydrophobicContact CB-CG 4.37Å; E285-K318 VanDerWaalsContact CD-CE 3.49Å; E285-K318 HydrophobicContact CG-CG 4.24Å; E285-K318 VanDerWaalsContact OE2-CE 3.25Å; E285-K318 WeakPolarHBondContact OE2-CE 3.21Å; E285-K318 IonicContact OE2-NZ 3.88Å; E285-R319 CarbonylContact O-C 3.58Å; E285-R319 WeakPolarHBondContact O-CA 3.35Å; E285-R320 PolarHBondContact O-N 3.21Å; E285-Y364 HydrophobicContact CB-CE1 4.24Å; E285-Y364 WeakPolarHBondContact O-CE1 3.33Å
286	G	98.6	Very high	98.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	3.7	176.8	0	0	0	0	0	114.9	T282 V284 L288 R320 Y364	T282-G286 PolarHBondContact O-N 2.89Å; V284-G286 VanDerWaalsContact C-N 3.27Å; V284-G286 PolarHBondContact O-N 2.78Å; G286-L288 PolarHBondContact O-N 2.63Å; G286-R320 VanDerWaalsContact O-CZ 3.31Å; G286-R320 PolarHBondContact O-NE 3.02Å; G286-R320 PolarHBondContact O-NH2 3.05Å; G286-Y364 WeakPolarHBondContact CA-OH 3.48Å
287	S	98.4	Very high	98.6	Very high	28 Å²	28	43.3 Å²	43.3	20%	0.196	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	36.5	-175.1	-68.6	0	0	0	0	112.6	V284 E285 R319 R320	V284-S287 PolarHBondContact O-N 3.08Å; V284-S287 VanDerWaalsContact O-N 3.08Å; E285-S287 PolarHBondContact O-N 3.46Å; E285-S287 VanDerWaalsContact O-N 3.07Å; S287-R319 VanDerWaalsContact OG-CG 3.28Å; S287-R319 WeakPolarHBondContact OG-CG 3.43Å; S287-R319 PolarHBondContact OG-NE 3.26Å; S287-R320 PolarHBondContact OG-O 3.38Å
288	L	98.8	Very high	98.5	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.047	23%	0.232	C	C	.	.			trans	-115.4	20.1	179.3	-64.4	173.6	0	0	0	111.9	L118 I126 I277 P283 G286 W290 T291	L118-L288 HydrophobicContact CD1-CB 4.12Å; L118-L288 HydrophobicContact CD1-CD1 3.92Å; L118-L288 HydrophobicContact CD2-CD1 4.04Å; I126-L288 HydrophobicContact CD1-CD1 4.33Å; I277-L288 HydrophobicContact CD1-CD1 4.12Å; I277-L288 HydrophobicContact CG2-CD1 4.16Å; P283-L288 CarbonylContact O-C 3.5Å; P283-L288 VanDerWaalsContact O-C 3.31Å; P283-L288 VanDerWaalsContact O-CA 3.28Å; P283-L288 WeakPolarHBondContact O-CA 3.35Å; P283-L288 WeakPolarHBondContact O-CB 3.21Å; P283-L288 PolarHBondContact O-N 2.95Å; G286-L288 PolarHBondContact O-N 2.63Å; L288-W290 HydrophobicContact CD2-CZ2 4.38Å; L288-W290 PolarHBondContact O-N 2.91Å; L288-T291 HydrophobicContact CB-CG2 4.27Å; L288-T291 PolarHBondContact O-N 3.41Å; L288-T291 PolarHBondContact O-OG1 3.22Å
289	S	98.5	Very high	98.5	Very high	29 Å²	29	48.9 Å²	48.9	20%	0.203	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-54.9	-19.1	179.6	-52.1	0	0	0	0	114.4	P283 T291 L292 R297	P283-S289 PolarHBondContact O-N 2.95Å; S289-T291 VanDerWaalsContact C-N 3.29Å; S289-L292 PolarHBondContact O-N 2.84Å; S289-R297 PolarHBondContact O-NH2 2.92Å
290	W	98.4	Very high	98.5	Very high	164 Å²	164	48.9 Å²	48.9	62%	0.621	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-71.3	-20.5	176.2	64.6	-93.5	0	0	0	113.4	L116 L288 L292	L116-W290 HydrophobicContact CB-CH2 3.77Å; L116-W290 HydrophobicContact CB-CZ3 4.36Å; L116-W290 HydrophobicContact CD2-CH2 3.54Å; L116-W290 HydrophobicContact CD2-CZ2 3.61Å; L116-W290 HydrophobicContact CG-CH2 4.23Å; L288-W290 HydrophobicContact CD2-CZ2 4.38Å; L288-W290 PolarHBondContact O-N 2.91Å; W290-L292 VanDerWaalsContact C-N 3.32Å
291	T	98.8	Very high	98.5	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.037	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-76.5	-21.1	176.6	66.3	0	0	0	0	112.5	G104 L116 L118 L288 S289 G293	G104-T291 WeakPolarHBondContact CA-O 3.08Å; L116-T291 HydrophobicContact CD2-CG2 4.28Å; L118-T291 WeakPolarHBondContact CD1-OG1 3.4Å; L288-T291 HydrophobicContact CB-CG2 4.27Å; L288-T291 PolarHBondContact O-N 3.41Å; L288-T291 PolarHBondContact O-OG1 3.22Å; S289-T291 VanDerWaalsContact C-N 3.29Å; T291-G293 PolarHBondContact O-N 2.82Å
292	L	98.8	Very high	98.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.225	C	C	.	.	S	Bend	trans	-70.5	111.3	179.1	-53.7	-179.6	0	0	0	109.5	V103 P283 V284 S289 W290 R297 I308 L312	V103-L292 HydrophobicContact CB-CD2 3.54Å; V103-L292 HydrophobicContact CG1-CD2 3.88Å; V103-L292 HydrophobicContact CG2-CD2 3.83Å; P283-L292 HydrophobicContact CB-CD2 3.84Å; P283-L292 HydrophobicContact CB-CG 4.4Å; P283-L292 HydrophobicContact CG-CD2 4.09Å; V284-L292 HydrophobicContact CG2-CD1 4.31Å; S289-L292 PolarHBondContact O-N 2.84Å; W290-L292 VanDerWaalsContact C-N 3.32Å; L292-R297 HydrophobicContact CB-CG 4.06Å; L292-R297 VanDerWaalsContact O-CZ 3.22Å; L292-R297 PolarHBondContact O-NE 2.89Å; L292-R297 PolarHBondContact O-NH2 3.32Å; L292-I308 HydrophobicContact CD1-CG2 3.64Å; L292-I308 HydrophobicContact CD2-CG2 4.02Å; L292-L312 HydrophobicContact CD1-CD1 3.96Å; L292-L312 HydrophobicContact CD1-CD2 3.93Å; L292-L312 HydrophobicContact CD1-CG 4.22Å
293	G	98.5	Very high	98.5	Very high	8 Å²	8	45.4 Å²	45.4	8%	0.082	23%	0.227	C	C	.	.			trans	-59.4	144.3	179.9	0	0	0	0	0	112.5	V103 D105 T291 R295 R296 R297	V103-G293 PolarHBondContact O-N 3.46Å; D105-G293 VanDerWaalsContact OD2-CA 3.25Å; D105-G293 WeakPolarHBondContact OD2-CA 3.26Å; T291-G293 PolarHBondContact O-N 2.82Å; G293-R295 VanDerWaalsContact C-N 3.34Å; G293-R295 PolarHBondContact O-N 2.93Å; G293-R296 PolarHBondContact O-N 3.02Å; G293-R297 VanDerWaalsContact O-CG 3.27Å; G293-R297 WeakPolarHBondContact O-CG 3.34Å; G293-R297 PolarHBondContact O-N 2.76Å
294	K	98.3	Very high	98.5	Very high	173 Å²	173	45.5 Å²	45.5	75%	0.752	23%	0.227	S	C	*	.	H	α-helix	trans	-62.5	-43.7	-178.2	-177.5	-177.9	176.9	-175	0	110.7	D105 T298	D105-K294 PolarHBondContact OD2-N 3.48Å; K294-T298 PolarHBondContact O-N 3.28Å; K294-T298 PolarHBondContact O-OG1 2.81Å
295	R	98.4	Very high	98.5	Very high	79 Å²	79	45 Å²	45	30%	0.298	23%	0.225	S	C	.	.	H	α-helix	trans	-66.9	-44.4	175.9	-178.3	-173.5	59.7	71	3.4	109.7	E99 D105 G293 R297 T298 A299 D301	E99-R295 IonicContact OE1-CZ 2.67Å; E99-R295 IonicContact OE1-NH2 2.72Å; E99-R295 PolarHBondContact OE1-NH2 3.41Å; E99-R295 IonicContact OE2-CZ 2.86Å; E99-R295 IonicContact OE2-NH1 3.87Å; E99-R295 IonicContact OE2-NH2 3.89Å; E99-R295 PolarHBondContact OE2-NH2 2.89Å; D105-R295 WeakPolarHBondContact OD1-CB 3.26Å; D105-R295 PolarHBondContact OD1-N 2.94Å; D105-R295 IonicContact OD1-NH2 3.59Å; D105-R295 PolarHBondContact OD2-N 2.83Å; G293-R295 VanDerWaalsContact C-N 3.34Å; G293-R295 PolarHBondContact O-N 2.93Å; R295-R297 VanDerWaalsContact C-N 3.34Å; R295-R297 PolarHBondContact O-N 2.93Å; R295-T298 PolarHBondContact O-N 2.88Å; R295-A299 WeakPolarHBondContact O-CB 3.28Å; R295-A299 PolarHBondContact O-N 2.97Å; R295-D301 IonicContact NH1-OD2 2.68Å; R295-D301 PolarHBondContact NH1-OD2 2.97Å
296	R	98.6	Very high	98.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54	-45.5	177.1	-49.3	-39.5	-63.6	-68.5	-8.3	113.3	E99 V102 V103 G104 D105 G293 T298 A299 M300 D301 F302	E99-R296 PolarHBondContact O-NH1 3.27Å; E99-R296 PolarHBondContact O-NH2 2.89Å; V102-R296 PolarHBondContact O-NH1 3.5Å; V103-R296 VanDerWaalsContact O-CG 3.29Å; V103-R296 WeakPolarHBondContact O-CG 3.4Å; G104-R296 WeakPolarHBondContact O-CD 3.43Å; G104-R296 VanDerWaalsContact O-CG 3.29Å; G104-R296 WeakPolarHBondContact O-CG 3.42Å; G104-R296 PolarHBondContact O-NH1 3.42Å; D105-R296 WeakPolarHBondContact OD1-CD 3.43Å; D105-R296 WeakPolarHBondContact OD1-CG 3.03Å; D105-R296 PolarHBondContact OD1-N 2.89Å; G293-R296 PolarHBondContact O-N 3.02Å; R296-T298 PolarHBondContact O-N 2.89Å; R296-A299 PolarHBondContact O-N 3.21Å; R296-M300 PolarHBondContact O-N 2.81Å; R296-D301 IonicContact CZ-OD1 3.66Å; R296-D301 IonicContact NE-OD1 2.81Å; R296-D301 PolarHBondContact NE-OD1 3.19Å; R296-D301 IonicContact NE-OD2 3.27Å; R296-D301 PolarHBondContact NH2-O 3.36Å; R296-D301 IonicContact NH2-OD1 3.28Å; R296-D301 PolarHBondContact NH2-OD1 3.31Å; R296-F302 HydrophobicContact CB-CD1 3.85Å; R296-F302 HydrophobicContact CB-CE1 4.06Å; R296-F302 WeakPolarHBondContact O-CE1 3.42Å
297	R	98.1	Very high	98.4	Very high	85 Å²	85	56.6 Å²	56.6	32%	0.321	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-34.6	177.7	-69.9	171.5	-152.8	-152.2	4.5	113.1	S289 L292 G293 R295 L312	S289-R297 PolarHBondContact O-NH2 2.92Å; L292-R297 HydrophobicContact CB-CG 4.06Å; L292-R297 VanDerWaalsContact O-CZ 3.22Å; L292-R297 PolarHBondContact O-NE 2.89Å; L292-R297 PolarHBondContact O-NH2 3.32Å; G293-R297 VanDerWaalsContact O-CG 3.27Å; G293-R297 WeakPolarHBondContact O-CG 3.34Å; G293-R297 PolarHBondContact O-N 2.76Å; R295-R297 VanDerWaalsContact C-N 3.34Å; R295-R297 PolarHBondContact O-N 2.93Å; R297-L312 HydrophobicContact CG-CD1 3.99Å
298	T	97.8	Very high	98.4	Very high	118 Å²	118	55.2 Å²	55.2	72%	0.724	27%	0.269	S	S	*	.	H	α-helix	trans	-81.4	-43.3	-178.7	-52.6	0	0	0	0	110.5	K294 R295 R296 M300	K294-T298 PolarHBondContact O-N 3.28Å; K294-T298 PolarHBondContact O-OG1 2.81Å; R295-T298 PolarHBondContact O-N 2.88Å; R296-T298 PolarHBondContact O-N 2.89Å; T298-M300 VanDerWaalsContact C-N 3.33Å
299	A	98.3	Very high	98.4	Very high	53 Å²	53	56 Å²	56	44%	0.438	27%	0.273	S	S	.	.	H	α-helix	trans	-72	-25.5	-179	0	0	0	0	0	113.2	R295 R296 D301	R295-A299 WeakPolarHBondContact O-CB 3.28Å; R295-A299 PolarHBondContact O-N 2.97Å; R296-A299 PolarHBondContact O-N 3.21Å; A299-D301 HydrophobicContact CB-CB 3.99Å; A299-D301 VanDerWaalsContact CB-CG 3.48Å; A299-D301 WeakPolarHBondContact CB-OD2 3.27Å; A299-D301 PolarHBondContact O-N 2.95Å
300	M	98.3	Very high	98.3	Very high	78 Å²	78	58.2 Å²	58.2	38%	0.384	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	34	-176.5	-59.5	-74.8	-66.7	0	0	112.3	R296 T298 A305 V309	R296-M300 PolarHBondContact O-N 2.81Å; T298-M300 VanDerWaalsContact C-N 3.33Å; M300-A305 HydrophobicContact CB-CB 4.22Å; M300-A305 VanDerWaalsContact CE-C 3.45Å; M300-A305 HydrophobicContact CE-CB 3.97Å; M300-A305 WeakPolarHBondContact CE-O 3.47Å; M300-A305 HydrophobicContact SD-CB 4.24Å; M300-V309 HydrophobicContact CE-CB 3.91Å; M300-V309 HydrophobicContact CE-CG1 4.45Å; M300-V309 HydrophobicContact CE-CG2 4.18Å; M300-V309 HydrophobicContact SD-CB 3.44Å; M300-V309 WeakPolarHBondContact SD-CB 3.37Å; M300-V309 HydrophobicContact SD-CG1 3.61Å; M300-V309 HydrophobicContact SD-CG2 3.37Å; M300-V309 WeakPolarHBondContact SD-CG2 3.44Å
301	D	98.3	Very high	98.3	Very high	66 Å²	66	52.3 Å²	52.3	35%	0.353	27%	0.267	S	S	.	.			trans	-105.6	29.5	-166.5	66	-6.3	0	0	0	113.4	R295 R296 A299	R295-D301 IonicContact NH1-OD2 2.68Å; R295-D301 PolarHBondContact NH1-OD2 2.97Å; R296-D301 IonicContact CZ-OD1 3.66Å; R296-D301 IonicContact NE-OD1 2.81Å; R296-D301 PolarHBondContact NE-OD1 3.19Å; R296-D301 IonicContact NE-OD2 3.27Å; R296-D301 PolarHBondContact NH2-O 3.36Å; R296-D301 IonicContact NH2-OD1 3.28Å; R296-D301 PolarHBondContact NH2-OD1 3.31Å; A299-D301 HydrophobicContact CB-CB 3.99Å; A299-D301 VanDerWaalsContact CB-CG 3.48Å; A299-D301 WeakPolarHBondContact CB-OD2 3.27Å; A299-D301 PolarHBondContact O-N 2.95Å
302	F	98.8	Very high	98.2	Very high	11 Å²	11	54.8 Å²	54.8	5%	0.048	28%	0.28	C	S	.	.	S	Bend	trans	-129.3	155	176.1	60	-86.2	0	0	0	111	V103 R296 G304 A305 I308 V309	V103-F302 HydrophobicContact CB-CD2 4.44Å; V103-F302 HydrophobicContact CG1-CD2 3.79Å; V103-F302 HydrophobicContact CG1-CE2 4.1Å; V103-F302 HydrophobicContact CG1-CG 4.48Å; R296-F302 HydrophobicContact CB-CD1 3.85Å; R296-F302 HydrophobicContact CB-CE1 4.06Å; R296-F302 WeakPolarHBondContact O-CE1 3.42Å; F302-G304 PolarHBondContact O-N 3.3Å; F302-A305 HydrophobicContact CD1-CB 3.88Å; F302-A305 HydrophobicContact CD2-CB 3.93Å; F302-A305 HydrophobicContact CE1-CB 3.66Å; F302-A305 HydrophobicContact CE2-CB 3.72Å; F302-A305 HydrophobicContact CG-CB 4.03Å; F302-A305 HydrophobicContact CZ-CB 3.59Å; F302-A305 VanDerWaalsContact O-CB 3.27Å; F302-A305 WeakPolarHBondContact O-CB 3.44Å; F302-A305 PolarHBondContact O-N 3.4Å; F302-A305 VanDerWaalsContact O-N 3.11Å; F302-I308 HydrophobicContact CD2-CD1 4.37Å; F302-I308 HydrophobicContact CE2-CB 4.14Å; F302-I308 HydrophobicContact CE2-CD1 3.76Å; F302-I308 HydrophobicContact CE2-CG2 4.2Å; F302-I308 HydrophobicContact CZ-CG2 4.39Å; F302-V309 HydrophobicContact CE1-CG2 4.19Å; F302-V309 HydrophobicContact CZ-CG2 3.76Å
303	P	98.8	Very high	97.7	Very high	13 Å²	13	64.2 Å²	64.2	8%	0.084	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	129.5	-177.9	-23.7	34.1	0	0	0	111.7	S100 T120 N121 A305	S100-P303 WeakPolarHBondContact O-CD 3.31Å; S100-P303 VanDerWaalsContact O-CG 3.24Å; S100-P303 WeakPolarHBondContact O-CG 3.25Å; T120-P303 VanDerWaalsContact O-CB 3.28Å; T120-P303 WeakPolarHBondContact O-CB 3.31Å; T120-P303 PolarHBondContact OG1-O 2.99Å; N121-P303 CarbonylContact O-C 3.13Å; P303-A305 VanDerWaalsContact C-N 3.3Å; P303-A305 PolarHBondContact O-N 3.11Å
304	G	98.6	Very high	96.8	Very high	1 Å²	1	66 Å²	66	1%	0.01	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	8.1	179.4	0	0	0	0	0	115.5	N121 E122 F302 K306 I307 I308	N121-G304 WeakPolarHBondContact O-CA 3.41Å; N121-G304 PolarHBondContact O-N 3.31Å; E122-G304 WeakPolarHBondContact O-CA 3.36Å; F302-G304 PolarHBondContact O-N 3.3Å; G304-K306 PolarHBondContact O-N 2.88Å; G304-K306 VanDerWaalsContact O-N 3.1Å; G304-I307 PolarHBondContact O-N 3.44Å; G304-I308 WeakPolarHBondContact O-CG1 3.29Å; G304-I308 PolarHBondContact O-N 2.89Å
305	A	98.6	Very high	96.2	Very high	3 Å²	3	64.8 Å²	64.8	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-51.9	-36.5	177.3	0	0	0	0	0	113.2	M300 F302 P303 I307 I308 V309	M300-A305 HydrophobicContact CB-CB 4.22Å; M300-A305 VanDerWaalsContact CE-C 3.45Å; M300-A305 HydrophobicContact CE-CB 3.97Å; M300-A305 WeakPolarHBondContact CE-O 3.47Å; M300-A305 HydrophobicContact SD-CB 4.24Å; F302-A305 HydrophobicContact CD1-CB 3.88Å; F302-A305 HydrophobicContact CD2-CB 3.93Å; F302-A305 HydrophobicContact CE1-CB 3.66Å; F302-A305 HydrophobicContact CE2-CB 3.72Å; F302-A305 HydrophobicContact CG-CB 4.03Å; F302-A305 HydrophobicContact CZ-CB 3.59Å; F302-A305 VanDerWaalsContact O-CB 3.27Å; F302-A305 WeakPolarHBondContact O-CB 3.44Å; F302-A305 PolarHBondContact O-N 3.4Å; F302-A305 VanDerWaalsContact O-N 3.11Å; P303-A305 VanDerWaalsContact C-N 3.3Å; P303-A305 PolarHBondContact O-N 3.11Å; A305-I307 PolarHBondContact O-N 3.41Å; A305-I308 PolarHBondContact O-N 3.11Å; A305-V309 WeakPolarHBondContact O-CB 3.45Å; A305-V309 PolarHBondContact O-N 2.92Å
306	K	98	Very high	96	Very high	180 Å²	180	61.6 Å²	61.6	78%	0.783	33%	0.325	S	S	*	.	H	α-helix	trans	-60.4	-25	177.7	-66.8	-179	-178.9	174	0	113.8	G304 P310	G304-K306 PolarHBondContact O-N 2.88Å; G304-K306 VanDerWaalsContact O-N 3.1Å; K306-P310 WeakPolarHBondContact O-CD 3.47Å; K306-P310 WeakPolarHBondContact O-CG 3.4Å
307	I	97.9	Very high	95.8	Very high	82 Å²	82	70 Å²	70	42%	0.421	37%	0.365	S	S	.	.	H	α-helix	trans	-95.5	-45.5	175.4	-55.6	-58	0	0	0	110.4	T282 G304 A305 P310 Q311	T282-I307 HydrophobicContact CG2-CG2 4.49Å; G304-I307 PolarHBondContact O-N 3.44Å; A305-I307 PolarHBondContact O-N 3.41Å; I307-P310 WeakPolarHBondContact O-CD 3.32Å; I307-Q311 WeakPolarHBondContact O-CG 3.17Å
308	I	98.6	Very high	95.7	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-45.9	-171.1	-64.3	168.3	0	0	0	112.1	T120 P283 V284 L292 F302 G304 A305 Q311	T120-I308 HydrophobicContact CG2-CD1 4.14Å; P283-I308 HydrophobicContact CG-CD1 4.09Å; V284-I308 HydrophobicContact CG2-CG2 4.07Å; L292-I308 HydrophobicContact CD1-CG2 3.64Å; L292-I308 HydrophobicContact CD2-CG2 4.02Å; F302-I308 HydrophobicContact CD2-CD1 4.37Å; F302-I308 HydrophobicContact CE2-CB 4.14Å; F302-I308 HydrophobicContact CE2-CD1 3.76Å; F302-I308 HydrophobicContact CE2-CG2 4.2Å; F302-I308 HydrophobicContact CZ-CG2 4.39Å; G304-I308 WeakPolarHBondContact O-CG1 3.29Å; G304-I308 PolarHBondContact O-N 2.89Å; A305-I308 PolarHBondContact O-N 3.11Å; I308-Q311 WeakPolarHBondContact O-CB 3.38Å; I308-Q311 PolarHBondContact O-N 3.05Å
309	V	98.2	Very high	95.7	Very high	24 Å²	24	67.8 Å²	67.8	15%	0.145	35%	0.345	C	S	.	.	H	α-helix	trans	-68.6	-40.6	-172.6	173.8	0	0	0	0	113.1	M300 F302 A305 Q311 L312	M300-V309 HydrophobicContact CE-CB 3.91Å; M300-V309 HydrophobicContact CE-CG1 4.45Å; M300-V309 HydrophobicContact CE-CG2 4.18Å; M300-V309 HydrophobicContact SD-CB 3.44Å; M300-V309 WeakPolarHBondContact SD-CB 3.37Å; M300-V309 HydrophobicContact SD-CG1 3.61Å; M300-V309 HydrophobicContact SD-CG2 3.37Å; M300-V309 WeakPolarHBondContact SD-CG2 3.44Å; F302-V309 HydrophobicContact CE1-CG2 4.19Å; F302-V309 HydrophobicContact CZ-CG2 3.76Å; A305-V309 WeakPolarHBondContact O-CB 3.45Å; A305-V309 PolarHBondContact O-N 2.92Å; V309-Q311 PolarHBondContact O-N 3.02Å; V309-L312 WeakPolarHBondContact O-CB 3.4Å; V309-L312 PolarHBondContact O-N 2.94Å; V309-L312 VanDerWaalsContact O-N 3.09Å
310	P	97.3	Very high	95.7	Very high	77 Å²	77	65.9 Å²	65.9	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-55.3	-35.6	172.1	-29.1	36.9	0	0	0	113.8	K306 I307 L312 K313	K306-P310 WeakPolarHBondContact O-CD 3.47Å; K306-P310 WeakPolarHBondContact O-CG 3.4Å; I307-P310 WeakPolarHBondContact O-CD 3.32Å; P310-L312 PolarHBondContact O-N 3.3Å; P310-K313 PolarHBondContact O-N 3.09Å
311	Q	97.8	Very high	95.8	Very high	40 Å²	40	62.6 Å²	62.6	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-21.9	179.2	-66.6	174.1	-13.3	0	0	113.2	T282 V284 I307 I308 V309 K313 G314 V316	T282-Q311 VanDerWaalsContact CB-OE1 3.31Å; T282-Q311 PolarHBondContact OG1-OE1 2.87Å; V284-Q311 HydrophobicContact CB-CB 3.92Å; V284-Q311 HydrophobicContact CG1-CB 3.98Å; V284-Q311 HydrophobicContact CG2-CB 3.94Å; I307-Q311 WeakPolarHBondContact O-CG 3.17Å; I308-Q311 WeakPolarHBondContact O-CB 3.38Å; I308-Q311 PolarHBondContact O-N 3.05Å; V309-Q311 PolarHBondContact O-N 3.02Å; Q311-K313 PolarHBondContact O-N 2.81Å; Q311-G314 PolarHBondContact O-N 3.26Å; Q311-V316 HydrophobicContact CB-CG1 3.74Å; Q311-V316 HydrophobicContact CG-CG1 4.01Å
312	L	96.1	Very high	95.8	Very high	58 Å²	58	59.5 Å²	59.5	30%	0.304	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.5	177.4	-68.2	173.9	0	0	0	113.8	V284 L292 R297 V309 P310	V284-L312 HydrophobicContact CG2-CD2 3.72Å; V284-L312 HydrophobicContact CG2-CG 4.11Å; L292-L312 HydrophobicContact CD1-CD1 3.96Å; L292-L312 HydrophobicContact CD1-CD2 3.93Å; L292-L312 HydrophobicContact CD1-CG 4.22Å; R297-L312 HydrophobicContact CG-CD1 3.99Å; V309-L312 WeakPolarHBondContact O-CB 3.4Å; V309-L312 PolarHBondContact O-N 2.94Å; V309-L312 VanDerWaalsContact O-N 3.09Å; P310-L312 PolarHBondContact O-N 3.3Å
313	K	88.8	Confident	95.8	Very high	199 Å²	199	59 Å²	59	87%	0.865	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-9	-177.8	-64.6	-177.4	-179.9	178.8	0	113.2	P310 Q311	P310-K313 PolarHBondContact O-N 3.09Å; Q311-K313 PolarHBondContact O-N 2.81Å
314	G	79.5	Confident	95.8	Very high	46 Å²	46	59.8 Å²	59.8	47%	0.474	30%	0.296	S	S	.	.	S	Bend	trans	-131.3	176.6	-168.5	0	0	0	0	0	114.2	Q311 V316	Q311-G314 PolarHBondContact O-N 3.26Å; G314-V316 PolarHBondContact O-N 2.66Å
315	E	85.4	Confident	95.7	Very high	148 Å²	148	60.1 Å²	60.1	69%	0.692	30%	0.298	S	S	*	.			trans	-78.3	118.2	170.3	-57.8	-167.4	164.2	0	0	109.4	F367	E315-F367 HydrophobicContact CB-CB 4.1Å; E315-F367 HydrophobicContact CB-CD1 3.88Å; E315-F367 HydrophobicContact CB-CE1 4.48Å; E315-F367 HydrophobicContact CB-CG 3.97Å; E315-F367 VanDerWaalsContact CD-CD1 3.4Å; E315-F367 HydrophobicContact CG-CD1 3.48Å; E315-F367 VanDerWaalsContact CG-CD1 3.48Å; E315-F367 HydrophobicContact CG-CE1 3.71Å; E315-F367 HydrophobicContact CG-CG 4.09Å; E315-F367 HydrophobicContact CG-CZ 4.47Å; E315-F367 WeakPolarHBondContact OE1-CD1 3.36Å
316	V	93.3	Very high	95.5	Very high	12 Å²	12	66.3 Å²	66.3	7%	0.073	33%	0.327	C	S	.	.			trans	-73	149.1	171.5	-72.9	0	0	0	0	110.9	V284 E285 Q311 G314 K318 R319 F367	V284-V316 HydrophobicContact CB-CG1 4.23Å; V284-V316 HydrophobicContact CG1-CG1 3.67Å; E285-V316 HydrophobicContact CG-CB 4.16Å; E285-V316 HydrophobicContact CG-CG1 4.26Å; Q311-V316 HydrophobicContact CB-CG1 3.74Å; Q311-V316 HydrophobicContact CG-CG1 4.01Å; G314-V316 PolarHBondContact O-N 2.66Å; V316-K318 WeakPolarHBondContact CG2-O 3.38Å; V316-K318 PolarHBondContact O-N 2.83Å; V316-R319 HydrophobicContact CG2-CB 4.17Å; V316-F367 WeakPolarHBondContact O-CB 3.44Å
317	Q	94.4	Very high	95.2	Very high	177 Å²	177	60.8 Å²	60.8	83%	0.827	32%	0.321	S	S	*	.	S	Bend	trans	-60.1	-35.9	-179.4	-66.1	-175	11.3	0	0	112.3	P366	Q317-P366 WeakPolarHBondContact O-CA 3.39Å
318	K	96.9	Very high	95.1	Very high	68 Å²	68	58.2 Å²	58.2	30%	0.296	31%	0.312	S	S	.	.			trans	-138.7	150.1	176.5	62.9	-179.5	178.5	-180	0	110.2	H280 E285 V316 Y364 V365	H280-K318 PolarHBondContact O-NZ 2.77Å; E285-K318 HydrophobicContact CB-CG 4.37Å; E285-K318 VanDerWaalsContact CD-CE 3.49Å; E285-K318 HydrophobicContact CG-CG 4.24Å; E285-K318 VanDerWaalsContact OE2-CE 3.25Å; E285-K318 WeakPolarHBondContact OE2-CE 3.21Å; E285-K318 IonicContact OE2-NZ 3.88Å; V316-K318 WeakPolarHBondContact CG2-O 3.38Å; V316-K318 PolarHBondContact O-N 2.83Å; K318-Y364 HydrophobicContact CB-CD1 4.1Å; K318-Y364 HydrophobicContact CD-CD1 3.9Å; K318-Y364 HydrophobicContact CD-CG 4.36Å; K318-Y364 HydrophobicContact CG-CD1 3.86Å; K318-V365 CarbonylContact C-O 3.55Å; K318-V365 WeakPolarHBondContact CA-O 3.42Å
319	R	98.2	Very high	94.8	Very high	88 Å²	88	59.8 Å²	59.8	33%	0.332	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.2	176.6	-171	173.7	-169.6	170.7	8.3	110.7	E285 S287 V316 V321 Y364 V365	E285-R319 CarbonylContact O-C 3.58Å; E285-R319 WeakPolarHBondContact O-CA 3.35Å; S287-R319 VanDerWaalsContact OG-CG 3.28Å; S287-R319 WeakPolarHBondContact OG-CG 3.43Å; S287-R319 PolarHBondContact OG-NE 3.26Å; V316-R319 HydrophobicContact CG2-CB 4.17Å; R319-V321 PolarHBondContact O-N 2.91Å; R319-Y364 WeakPolarHBondContact O-CA 3.37Å; R319-V365 PolarHBondContact N-O 3.31Å; R319-V365 PolarHBondContact O-N 3.41Å; R319-V365 VanDerWaalsContact O-N 3.13Å
320	R	98.8	Very high	94.6	Very high	13 Å²	13	58.7 Å²	58.7	5%	0.049	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.5	171.7	-172.3	-179	58.8	98.7	1	110.1	G269 C271 E285 G286 S287 M362 G363 Y364 M392	G269-R320 PolarHBondContact O-NH1 3.35Å; C271-R320 PolarHBondContact SG-NE 3.27Å; C271-R320 VanDerWaalsContact SG-NE 3.39Å; E285-R320 PolarHBondContact O-N 3.21Å; G286-R320 VanDerWaalsContact O-CZ 3.31Å; G286-R320 PolarHBondContact O-NE 3.02Å; G286-R320 PolarHBondContact O-NH2 3.05Å; S287-R320 PolarHBondContact OG-O 3.38Å; R320-M362 PolarHBondContact NH1-SD 3.39Å; R320-M362 VanDerWaalsContact NH1-SD 3.35Å; R320-G363 CarbonylContact C-O 3.32Å; R320-G363 WeakPolarHBondContact CA-O 3.38Å; R320-Y364 HydrophobicContact CB-CD1 4.32Å; R320-Y364 HydrophobicContact CB-CE1 3.84Å; R320-Y364 HydrophobicContact CB-CE2 4.24Å; R320-Y364 HydrophobicContact CG-CE2 4.4Å; R320-M392 VanDerWaalsContact NH1-CE 3.31Å
321	V	98.9	Very high	94.5	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	159.9	179.2	-62.7	0	0	0	0	111.5	R319 L323 M362 G363 V365 V389	R319-V321 PolarHBondContact O-N 2.91Å; V321-L323 HydrophobicContact CG2-CD2 4.08Å; V321-L323 HydrophobicContact CG2-CG 4.44Å; V321-M362 WeakPolarHBondContact O-CA 3.27Å; V321-G363 PolarHBondContact N-O 3.12Å; V321-G363 PolarHBondContact O-N 3.22Å; V321-V365 HydrophobicContact CG1-CG2 3.92Å; V321-V365 HydrophobicContact CG2-CG1 4.38Å; V321-V365 HydrophobicContact CG2-CG2 3.83Å; V321-V389 HydrophobicContact CB-CG1 4.04Å; V321-V389 HydrophobicContact CG1-CG1 4.3Å; V321-V389 HydrophobicContact CG2-CG1 4.48Å
322	G	98.9	Very high	94.4	Very high	1 Å²	1	61 Å²	61	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	146.9	167.1	0	0	0	0	0	110.9	A361 V389 S390	G322-A361 CarbonylContact C-O 3.45Å; G322-A361 WeakPolarHBondContact CA-O 3.36Å; G322-V389 CarbonylContact O-C 3.44Å; G322-V389 WeakPolarHBondContact O-CA 3.34Å; G322-S390 PolarHBondContact O-N 3.3Å
323	L	98.8	Very high	94.5	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.2	-179	-61.8	176.8	0	0	0	109.8	V321 I336 V347 V360 A361 L376 V378 T387 V388 V389	V321-L323 HydrophobicContact CG2-CD2 4.08Å; V321-L323 HydrophobicContact CG2-CG 4.44Å; L323-I336 HydrophobicContact CD1-CD1 3.77Å; L323-I336 HydrophobicContact CD1-CG1 4.24Å; L323-V347 HydrophobicContact CD1-CG2 4.23Å; L323-V360 WeakPolarHBondContact O-CA 3.39Å; L323-A361 HydrophobicContact CB-CB 4.19Å; L323-A361 PolarHBondContact N-O 2.88Å; L323-A361 PolarHBondContact O-N 3.35Å; L323-L376 HydrophobicContact CD2-CD1 4.1Å; L323-V378 HydrophobicContact CD1-CG2 4.34Å; L323-T387 HydrophobicContact CB-CG2 3.71Å; L323-T387 HydrophobicContact CD1-CG2 4.43Å; L323-T387 HydrophobicContact CD2-CG2 4.12Å; L323-T387 HydrophobicContact CG-CG2 4.3Å; L323-V388 WeakPolarHBondContact CA-O 3.42Å; L323-V389 HydrophobicContact CD2-CG2 3.98Å
324	V	98.5	Very high	94.9	Very high	28 Å²	28	57.7 Å²	57.7	17%	0.17	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.4	175.1	178.1	0	0	0	0	109.7	K358 N359 V360 V388 F394	V324-K358 HydrophobicContact CG1-CB 4.09Å; V324-K358 HydrophobicContact CG1-CD 3.67Å; V324-K358 HydrophobicContact CG1-CG 4.5Å; V324-N359 WeakPolarHBondContact CA-O 3.06Å; V324-V360 HydrophobicContact CG2-CG1 4.33Å; V324-V388 PolarHBondContact N-O 3.04Å; V324-V388 PolarHBondContact O-N 3.32Å; V324-F394 HydrophobicContact CG2-CD1 3.71Å; V324-F394 HydrophobicContact CG2-CE1 3.83Å
325	C	96.1	Very high	95.8	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.054	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	166.4	173.5	59.4	0	0	0	0	111.9	V330 N359 Q385 T387	C325-V330 WeakPolarHBondContact SG-CG2 3.44Å; C325-N359 PolarHBondContact N-O 3.3Å; C325-N359 WeakPolarHBondContact O-CB 3.45Å; C325-N359 PolarHBondContact O-N 3.34Å; C325-Q385 PolarHBondContact SG-NE2 2.92Å; C325-T387 HydrophobicContact CB-CG2 4.16Å
326	E	94.3	Very high	96.4	Very high	133 Å²	133	50.3 Å²	50.3	62%	0.621	26%	0.264	S	S	*	.	S	Bend	trans	-106.1	171.8	173.6	-62.3	-172.5	171.5	0	0	110.4	K358 Q385	E326-K358 IonicContact OE1-NZ 3.81Å; E326-Q385 PolarHBondContact O-NE2 3.25Å; E326-Q385 PolarHBondContact O-OE1 2.8Å
327	G	93	Very high	96.7	Very high	65 Å²	65	49.9 Å²	49.9	67%	0.67	26%	0.261	S	S	*	.	S	Bend	trans	78.1	-129	179	0	0	0	0	0	113.1	N359	G327-N359 PolarHBondContact O-ND2 2.9Å
328	A	94.6	Very high	96.8	Very high	27 Å²	27	41.6 Å²	41.6	22%	0.223	22%	0.222	C	C	.	.	S	Bend	trans	-73.8	136.9	-171.5	0	0	0	0	0	111.3	V330 N359 V380 Q385	A328-V330 PolarHBondContact O-N 2.73Å; A328-N359 PolarHBondContact O-ND2 3Å; A328-V380 HydrophobicContact CB-CB 4.46Å; A328-V380 HydrophobicContact CB-CG1 3.51Å; A328-Q385 VanDerWaalsContact N-OE1 3.08Å; A328-Q385 PolarHBondContact O-NE2 3.17Å; A328-Q385 PolarHBondContact O-OE1 3.48Å
329	P	94.1	Very high	96.8	Very high	33 Å²	33	41.7 Å²	41.7	21%	0.214	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-65.1	130.2	179.7	-21.5	32.9	0	0	0	112.4	P352 N359	P329-P352 HydrophobicContact CB-CG 4.01Å; P329-P352 HydrophobicContact CG-CG 3.73Å; P329-N359 WeakPolarHBondContact CA-OD1 3.49Å; P329-N359 WeakPolarHBondContact CG-OD1 3.44Å
330	V	93.6	Very high	96.7	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-71.6	141.4	173	171.9	0	0	0	0	109.7	C325 A328 V347 G350 A361 V378 V380	C325-V330 WeakPolarHBondContact SG-CG2 3.44Å; A328-V330 PolarHBondContact O-N 2.73Å; V330-V347 HydrophobicContact CG1-CB 4.14Å; V330-V347 HydrophobicContact CG1-CG1 3.74Å; V330-V347 HydrophobicContact CG1-CG2 3.5Å; V330-G350 CarbonylContact O-C 3.57Å; V330-G350 VanDerWaalsContact O-CA 3.31Å; V330-G350 WeakPolarHBondContact O-CA 3.24Å; V330-A361 HydrophobicContact CB-CB 4.17Å; V330-A361 HydrophobicContact CG1-CB 3.8Å; V330-V378 HydrophobicContact CG1-CG1 3.79Å; V330-V378 HydrophobicContact CG2-CB 4.28Å; V330-V378 HydrophobicContact CG2-CG1 3.92Å; V330-V380 HydrophobicContact CG2-CG2 3.69Å
331	R	94.1	Very high	96.6	Very high	134 Å²	134	44.9 Å²	44.9	51%	0.506	26%	0.256	S	S	.	.			trans	-124.6	157.5	-177.5	-61.3	-59.5	-174.9	-164.1	4.5	111.3	S334 V347 G350	R331-S334 VanDerWaalsContact O-CB 3.23Å; R331-S334 WeakPolarHBondContact O-CB 3.18Å; R331-S334 PolarHBondContact O-N 2.84Å; R331-S334 PolarHBondContact O-OG 2.83Å; R331-V347 WeakPolarHBondContact O-CB 3.21Å; R331-V347 VanDerWaalsContact O-CG1 3.25Å; R331-V347 WeakPolarHBondContact O-CG1 3.12Å; R331-G350 PolarHBondContact NH1-O 2.89Å; R331-G350 VanDerWaalsContact NH1-O 3.12Å
332	A	96.6	Very high	96.5	Very high	32 Å²	32	48.6 Å²	48.6	26%	0.264	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	147.8	170.7	0	0	0	0	0	111.6	S334 T348	A332-S334 PolarHBondContact O-N 3.25Å; A332-T348 VanDerWaalsContact CB-O 3.23Å; A332-T348 WeakPolarHBondContact CB-O 3.35Å
333	H	96.8	Very high	96.5	Very high	170 Å²	170	52.8 Å²	52.8	79%	0.787	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	1.5	-176.4	-42.7	-65.2	0	0	0	115.9	P335 V347	H333-P335 WeakPolarHBondContact O-CD 3.33Å; H333-V347 PolarHBondContact N-O 2.88Å
334	S	97.8	Very high	96.5	Very high	16 Å²	16	54.1 Å²	54.1	11%	0.112	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65.2	128	172.8	-56.8	0	0	0	0	110	R331 A332 I336 A346 V347 E379	R331-S334 VanDerWaalsContact O-CB 3.23Å; R331-S334 WeakPolarHBondContact O-CB 3.18Å; R331-S334 PolarHBondContact O-N 2.84Å; R331-S334 PolarHBondContact O-OG 2.83Å; A332-S334 PolarHBondContact O-N 3.25Å; S334-I336 PolarHBondContact O-N 2.72Å; S334-A346 WeakPolarHBondContact O-CA 3.27Å; S334-V347 PolarHBondContact O-N 2.82Å; S334-E379 WeakPolarHBondContact CB-O 3.31Å; S334-E379 PolarHBondContact OG-O 3.22Å
335	P	98.4	Very high	96.5	Very high	40 Å²	40	53.7 Å²	53.7	26%	0.26	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	136.3	173.3	-25.5	33.8	0	0	0	112	H333 L337 V343 V378 E379	H333-P335 WeakPolarHBondContact O-CD 3.33Å; P335-L337 HydrophobicContact CB-CD1 4.24Å; P335-L337 WeakPolarHBondContact O-CD1 3.38Å; P335-V343 HydrophobicContact CB-CG1 4.34Å; P335-V343 HydrophobicContact CB-CG2 4.42Å; P335-V378 WeakPolarHBondContact O-CA 3.36Å; P335-E379 HydrophobicContact CB-CB 4.38Å; P335-E379 HydrophobicContact CG-CB 4.34Å; P335-E379 PolarHBondContact O-N 2.89Å
336	I	98.7	Very high	96.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.4	168.3	-55.7	168.9	0	0	0	107.1	L323 S334 I344 G345 A346 V347 V365 L376 V378	L323-I336 HydrophobicContact CD1-CD1 3.77Å; L323-I336 HydrophobicContact CD1-CG1 4.24Å; S334-I336 PolarHBondContact O-N 2.72Å; I336-I344 HydrophobicContact CG2-CG1 4.35Å; I336-I344 WeakPolarHBondContact O-CG1 3.23Å; I336-I344 PolarHBondContact O-N 3.31Å; I336-G345 PolarHBondContact N-O 2.84Å; I336-G345 PolarHBondContact O-N 2.89Å; I336-G345 VanDerWaalsContact O-N 3.13Å; I336-A346 VanDerWaalsContact CD1-C 3.46Å; I336-A346 WeakPolarHBondContact CD1-O 3.39Å; I336-V347 HydrophobicContact CD1-CG2 4.12Å; I336-V347 HydrophobicContact CG1-CG2 3.84Å; I336-V365 HydrophobicContact CB-CG1 4.44Å; I336-V365 HydrophobicContact CD1-CG1 3.98Å; I336-V365 HydrophobicContact CG2-CG1 3.83Å; I336-L376 HydrophobicContact CG2-CB 4.34Å; I336-L376 HydrophobicContact CG2-CD1 3.91Å; I336-V378 HydrophobicContact CG1-CG2 4.3Å
337	L	98.6	Very high	96.8	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	153	-176.9	-46.1	88.3	0	0	0	110.8	P335 G341 T342 V343 L377 E379	P335-L337 HydrophobicContact CB-CD1 4.24Å; P335-L337 WeakPolarHBondContact O-CD1 3.38Å; L337-G341 VanDerWaalsContact CD2-O 3.29Å; L337-G341 WeakPolarHBondContact CD2-O 3.48Å; L337-T342 CarbonylContact C-O 3.53Å; L337-T342 WeakPolarHBondContact CA-O 3.35Å; L337-T342 WeakPolarHBondContact CB-O 3.49Å; L337-V343 HydrophobicContact CD2-CG2 3.95Å; L337-V343 HydrophobicContact CG-CG2 4.13Å; L337-L377 HydrophobicContact CB-CB 4.17Å; L337-L377 HydrophobicContact CD1-CB 4.44Å; L337-L377 PolarHBondContact N-O 2.83Å; L337-L377 PolarHBondContact O-N 3.13Å; L337-E379 HydrophobicContact CD1-CB 4.36Å; L337-E379 HydrophobicContact CD1-CG 3.87Å
338	S	98.1	Very high	97.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.014	27%	0.272	C	S	.	.			trans	-67.9	171.5	166.5	75.8	0	0	0	0	110.6	E340 G341 T342	S338-E340 WeakPolarHBondContact CB-OE2 3.18Å; S338-E340 PolarHBondContact O-N 3.37Å; S338-E340 PolarHBondContact OG-N 2.89Å; S338-E340 PolarHBondContact OG-OE2 3.29Å; S338-G341 PolarHBondContact O-N 3.03Å; S338-T342 PolarHBondContact N-O 2.78Å; S338-T342 PolarHBondContact OG-N 3.02Å
339	T	96.7	Very high	97.3	Very high	71 Å²	71	46 Å²	46	44%	0.436	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.7	175.4	36.2	0	0	0	0	113.5	G341 Q375	T339-G341 VanDerWaalsContact C-N 3.31Å; T339-Q375 HydrophobicContact CG2-CB 4.23Å
340	E	96.2	Very high	97.5	Very high	139 Å²	139	45 Å²	45	65%	0.65	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-0.1	176.2	-52.5	68.8	-138	0	0	112.6	S338	S338-E340 WeakPolarHBondContact CB-OE2 3.18Å; S338-E340 PolarHBondContact O-N 3.37Å; S338-E340 PolarHBondContact OG-N 2.89Å; S338-E340 PolarHBondContact OG-OE2 3.29Å
341	G	95.6	Very high	97.7	Very high	28 Å²	28	45.5 Å²	45.5	29%	0.289	26%	0.262	S	S	.	.	S	Bend	trans	82.5	14.6	179.7	0	0	0	0	0	114.9	L337 S338 T339	L337-G341 VanDerWaalsContact CD2-O 3.29Å; L337-G341 WeakPolarHBondContact CD2-O 3.48Å; S338-G341 PolarHBondContact O-N 3.03Å; T339-G341 VanDerWaalsContact C-N 3.31Å
342	T	97.8	Very high	97.9	Very high	86 Å²	86	42 Å²	42	53%	0.528	26%	0.257	S	S	.	.			trans	-81.1	128.7	173.5	-58.4	0	0	0	0	110	L337 S338 I344	L337-T342 CarbonylContact C-O 3.53Å; L337-T342 WeakPolarHBondContact CA-O 3.35Å; L337-T342 WeakPolarHBondContact CB-O 3.49Å; S338-T342 PolarHBondContact N-O 2.78Å; S338-T342 PolarHBondContact OG-N 3.02Å; T342-I344 HydrophobicContact CG2-CG2 4.35Å; T342-I344 PolarHBondContact O-N 2.87Å
343	V	98.3	Very high	98	Very high	90 Å²	90	40.6 Å²	40.6	55%	0.545	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	123.7	172.9	-178.8	0	0	0	0	109.8	P335 L337	P335-V343 HydrophobicContact CB-CG1 4.34Å; P335-V343 HydrophobicContact CB-CG2 4.42Å; L337-V343 HydrophobicContact CD2-CG2 3.95Å; L337-V343 HydrophobicContact CG-CG2 4.13Å
344	I	98.4	Very high	98	Very high	29 Å²	29	33.3 Å²	33.3	15%	0.149	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-0.6	-176.6	54.9	169.6	0	0	0	112.2	I336 T342 P366 Y369 L376	I336-I344 HydrophobicContact CG2-CG1 4.35Å; I336-I344 WeakPolarHBondContact O-CG1 3.23Å; I336-I344 PolarHBondContact O-N 3.31Å; T342-I344 HydrophobicContact CG2-CG2 4.35Å; T342-I344 PolarHBondContact O-N 2.87Å; I344-P366 HydrophobicContact CB-CG 4.39Å; I344-P366 WeakPolarHBondContact O-CD 3.25Å; I344-Y369 HydrophobicContact CB-CD2 4.49Å; I344-Y369 HydrophobicContact CB-CE2 4.25Å; I344-Y369 HydrophobicContact CD1-CD1 4.26Å; I344-Y369 HydrophobicContact CD1-CD2 3.58Å; I344-Y369 HydrophobicContact CD1-CE1 4.42Å; I344-Y369 HydrophobicContact CD1-CE2 3.72Å; I344-Y369 HydrophobicContact CD1-CG 3.86Å; I344-Y369 HydrophobicContact CG2-CE2 3.88Å; I344-L376 HydrophobicContact CD1-CD2 3.83Å
345	G	98.3	Very high	98.1	Very high	20 Å²	20	34.5 Å²	34.5	21%	0.206	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	-174.5	-174.4	0	0	0	0	0	113.4	I336 Y364	I336-G345 PolarHBondContact N-O 2.84Å; I336-G345 PolarHBondContact O-N 2.89Å; I336-G345 VanDerWaalsContact O-N 3.13Å; G345-Y364 WeakPolarHBondContact CA-O 3.37Å
346	A	98.6	Very high	98.1	Very high	44 Å²	44	35.7 Å²	35.7	36%	0.364	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.5	176.4	0	0	0	0	0	110.9	S334 I336 G363 Y364	S334-A346 WeakPolarHBondContact O-CA 3.27Å; I336-A346 VanDerWaalsContact CD1-C 3.46Å; I336-A346 WeakPolarHBondContact CD1-O 3.39Å; A346-G363 CarbonylContact O-C 3.49Å; A346-G363 WeakPolarHBondContact O-CA 3.38Å; A346-Y364 PolarHBondContact N-O 2.86Å; A346-Y364 PolarHBondContact O-N 3.39Å
347	V	98.8	Very high	98	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137.6	171.4	174.7	0	0	0	0	109.6	L323 V330 R331 H333 S334 I336 S349 A361 M362 V378	L323-V347 HydrophobicContact CD1-CG2 4.23Å; V330-V347 HydrophobicContact CG1-CB 4.14Å; V330-V347 HydrophobicContact CG1-CG1 3.74Å; V330-V347 HydrophobicContact CG1-CG2 3.5Å; R331-V347 WeakPolarHBondContact O-CB 3.21Å; R331-V347 VanDerWaalsContact O-CG1 3.25Å; R331-V347 WeakPolarHBondContact O-CG1 3.12Å; H333-V347 PolarHBondContact N-O 2.88Å; S334-V347 PolarHBondContact O-N 2.82Å; I336-V347 HydrophobicContact CD1-CG2 4.12Å; I336-V347 HydrophobicContact CG1-CG2 3.84Å; V347-S349 WeakPolarHBondContact CG1-O 3.4Å; V347-A361 HydrophobicContact CG1-CB 4.11Å; V347-M362 CarbonylContact C-O 3.54Å; V347-M362 WeakPolarHBondContact CA-O 3.5Å; V347-M362 WeakPolarHBondContact CG1-O 3.13Å; V347-V378 HydrophobicContact CG2-CG1 4.04Å
348	T	98.8	Very high	98	Very high	20 Å²	20	48.9 Å²	48.9	12%	0.123	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-37.7	176.9	51.5	0	0	0	0	112.7	N275 D276 A332 M362 Y364	N275-T348 PolarHBondContact ND2-O 2.94Å; N275-T348 WeakPolarHBondContact O-CB 3.33Å; N275-T348 VanDerWaalsContact O-CG2 3.23Å; N275-T348 WeakPolarHBondContact O-CG2 3.32Å; D276-T348 VanDerWaalsContact OD1-CB 3.24Å; D276-T348 WeakPolarHBondContact OD1-CB 3.15Å; D276-T348 PolarHBondContact OD1-OG1 2.83Å; A332-T348 VanDerWaalsContact CB-O 3.23Å; A332-T348 WeakPolarHBondContact CB-O 3.35Å; T348-M362 PolarHBondContact N-O 2.72Å; T348-M362 PolarHBondContact OG1-O 2.93Å; T348-Y364 HydrophobicContact CG2-CD2 3.78Å; T348-Y364 HydrophobicContact CG2-CE2 3.92Å
349	S	98.6	Very high	98	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.1	178.6	-65.8	0	0	0	0	110.2	R265 D276 V347 A361 M362	R265-S349 VanDerWaalsContact NH2-CB 3.34Å; R265-S349 PolarHBondContact NH2-OG 2.86Å; D276-S349 VanDerWaalsContact CG-OG 3.23Å; D276-S349 VanDerWaalsContact OD1-CB 3.24Å; D276-S349 WeakPolarHBondContact OD1-CB 3.45Å; D276-S349 PolarHBondContact OD1-OG 3.41Å; D276-S349 PolarHBondContact OD2-OG 3.03Å; V347-S349 WeakPolarHBondContact CG1-O 3.4Å; S349-A361 CarbonylContact O-C 3.31Å; S349-A361 WeakPolarHBondContact O-CA 3.22Å; S349-A361 WeakPolarHBondContact O-CB 3.3Å; S349-M362 PolarHBondContact N-O 3.31Å; S349-M362 PolarHBondContact O-N 3.4Å
350	G	98.1	Very high	98.1	Very high	12 Å²	12	45.9 Å²	45.9	12%	0.124	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	128.5	178.6	0	0	0	0	0	114.8	V330 R331 V360	V330-G350 CarbonylContact O-C 3.57Å; V330-G350 VanDerWaalsContact O-CA 3.31Å; V330-G350 WeakPolarHBondContact O-CA 3.24Å; R331-G350 PolarHBondContact NH1-O 2.89Å; R331-G350 VanDerWaalsContact NH1-O 3.12Å; G350-V360 WeakPolarHBondContact CA-O 3.35Å
351	C	97.8	Very high	98.2	Very high	14 Å²	14	39.3 Å²	39.3	10%	0.095	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	164.2	174.3	70.4	0	0	0	0	112.2	S353 V360	C351-S353 PolarHBondContact O-N 3.27Å; C351-V360 PolarHBondContact N-O 3.24Å; C351-V360 PolarHBondContact O-N 3.5Å
352	P	98.4	Very high	98.4	Very high	60 Å²	60	38 Å²	38	39%	0.39	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	135.1	166.7	-20.9	33.4	0	0	0	110.8	P329 P354	P329-P352 HydrophobicContact CB-CG 4.01Å; P329-P352 HydrophobicContact CG-CG 3.73Å; P352-P354 WeakPolarHBondContact O-CD 3.33Å
353	S	98.5	Very high	98.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	110.5	171.8	159	0	0	0	0	109.4	E267 C351 S355 L356 K357 K358	E267-S353 VanDerWaalsContact CD-OG 3.31Å; E267-S353 WeakPolarHBondContact OE1-CA 3.35Å; E267-S353 WeakPolarHBondContact OE1-CB 3.38Å; E267-S353 PolarHBondContact OE1-OG 2.8Å; C351-S353 PolarHBondContact O-N 3.27Å; S353-S355 VanDerWaalsContact C-N 3.27Å; S353-S355 PolarHBondContact O-N 3.11Å; S353-L356 WeakPolarHBondContact OG-CB 3.4Å; S353-L356 WeakPolarHBondContact OG-CG 3.29Å; S353-L356 PolarHBondContact OG-N 2.92Å; S353-K357 WeakPolarHBondContact O-CA 3.35Å; S353-K357 PolarHBondContact O-N 2.62Å; S353-K358 WeakPolarHBondContact CB-O 3.11Å; S353-K358 PolarHBondContact N-O 3.02Å
354	P	98.4	Very high	98.4	Very high	17 Å²	17	30.6 Å²	30.6	11%	0.11	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.9	173.8	-28	39.7	0	0	0	112.7	V66 H69 L70 P352	V66-P354 HydrophobicContact CB-CG 4.47Å; V66-P354 HydrophobicContact CG1-CB 3.91Å; V66-P354 HydrophobicContact CG1-CG 4.12Å; V66-P354 HydrophobicContact CG2-CG 4.48Å; H69-P354 HydrophobicContact CB-CB 4.32Å; H69-P354 HydrophobicContact CB-CG 3.93Å; L70-P354 HydrophobicContact CD2-CB 3.97Å; L70-P354 HydrophobicContact CG-CB 3.96Å; P352-P354 WeakPolarHBondContact O-CD 3.33Å
355	S	98.6	Very high	98.4	Very high	40 Å²	40	29.3 Å²	29.3	28%	0.28	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-40	-174.2	-55.5	0	0	0	0	112.5	H69 R73 E267 S353	H69-S355 PolarHBondContact NE2-OG 3.08Å; R73-S355 VanDerWaalsContact CD-OG 3.28Å; R73-S355 WeakPolarHBondContact CD-OG 3.45Å; R73-S355 PolarHBondContact NE-OG 3.17Å; R73-S355 VanDerWaalsContact NE-OG 3.15Å; E267-S355 WeakPolarHBondContact OE1-CB 3.34Å; E267-S355 PolarHBondContact OE1-N 3.31Å; E267-S355 VanDerWaalsContact OE1-N 3.16Å; E267-S355 PolarHBondContact OE1-OG 2.7Å; E267-S355 WeakPolarHBondContact OE2-CB 3.29Å; E267-S355 PolarHBondContact OE2-OG 2.99Å; S353-S355 VanDerWaalsContact C-N 3.27Å; S353-S355 PolarHBondContact O-N 3.11Å
356	L	98.2	Very high	98.4	Very high	65 Å²	65	30 Å²	30	34%	0.34	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-11.8	-176.3	-56.7	175.2	0	0	0	113.2	S353 K358 V360 F394 V395	S353-L356 WeakPolarHBondContact OG-CB 3.4Å; S353-L356 WeakPolarHBondContact OG-CG 3.29Å; S353-L356 PolarHBondContact OG-N 2.92Å; L356-K358 HydrophobicContact CB-CB 4.41Å; L356-K358 PolarHBondContact O-N 3.28Å; L356-V360 HydrophobicContact CD1-CG1 4.03Å; L356-F394 HydrophobicContact CD1-CB 3.79Å; L356-V395 HydrophobicContact CD1-CG2 4.22Å; L356-V395 HydrophobicContact CD2-CG2 3.92Å; L356-V395 HydrophobicContact CG-CG2 3.93Å
357	K	97.8	Very high	98.3	Very high	194 Å²	194	31.2 Å²	31.2	84%	0.843	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	35.4	-172.1	-56.5	179.7	179.4	178.9	0	112.6	S353	S353-K357 WeakPolarHBondContact O-CA 3.35Å; S353-K357 PolarHBondContact O-N 2.62Å
358	K	97.8	Very high	98.2	Very high	87 Å²	87	38.1 Å²	38.1	38%	0.378	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	173.7	178.6	-69	-173.9	178.2	-170	0	109.6	V324 E326 S353 L356	V324-K358 HydrophobicContact CG1-CB 4.09Å; V324-K358 HydrophobicContact CG1-CD 3.67Å; V324-K358 HydrophobicContact CG1-CG 4.5Å; E326-K358 IonicContact OE1-NZ 3.81Å; S353-K358 WeakPolarHBondContact CB-O 3.11Å; S353-K358 PolarHBondContact N-O 3.02Å; L356-K358 HydrophobicContact CB-CB 4.41Å; L356-K358 PolarHBondContact O-N 3.28Å
359	N	98.2	Very high	98.2	Very high	9 Å²	9	39.4 Å²	39.4	5%	0.048	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.6	168.9	-58.4	-58.1	0	0	0	109.4	V324 C325 G327 A328 P329	V324-N359 WeakPolarHBondContact CA-O 3.06Å; C325-N359 PolarHBondContact N-O 3.3Å; C325-N359 WeakPolarHBondContact O-CB 3.45Å; C325-N359 PolarHBondContact O-N 3.34Å; G327-N359 PolarHBondContact O-ND2 2.9Å; A328-N359 PolarHBondContact O-ND2 3Å; P329-N359 WeakPolarHBondContact CA-OD1 3.49Å; P329-N359 WeakPolarHBondContact CG-OD1 3.44Å
360	V	98.8	Very high	98.1	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.5	175.5	-64.7	0	0	0	0	109.7	L266 E267 L323 V324 G350 C351 L356 F394	L266-V360 HydrophobicContact CD2-CG2 3.85Å; L266-V360 HydrophobicContact CG-CG2 4Å; E267-V360 HydrophobicContact CG-CG2 4.41Å; L323-V360 WeakPolarHBondContact O-CA 3.39Å; V324-V360 HydrophobicContact CG2-CG1 4.33Å; G350-V360 WeakPolarHBondContact CA-O 3.35Å; C351-V360 PolarHBondContact N-O 3.24Å; C351-V360 PolarHBondContact O-N 3.5Å; L356-V360 HydrophobicContact CD1-CG1 4.03Å; V360-F394 HydrophobicContact CB-CD1 4.42Å; V360-F394 HydrophobicContact CB-CD2 4.38Å; V360-F394 HydrophobicContact CB-CE1 4.32Å; V360-F394 HydrophobicContact CB-CE2 4.28Å; V360-F394 HydrophobicContact CB-CG 4.44Å; V360-F394 HydrophobicContact CB-CZ 4.24Å; V360-F394 HydrophobicContact CG1-CB 4.38Å; V360-F394 HydrophobicContact CG1-CD1 3.99Å; V360-F394 HydrophobicContact CG1-CD2 4.44Å; V360-F394 HydrophobicContact CG1-CE1 4.31Å; V360-F394 HydrophobicContact CG1-CG 4.05Å
361	A	98.8	Very high	98.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.4	178.8	0	0	0	0	0	111.6	G322 L323 V330 V347 S349 F394	G322-A361 CarbonylContact C-O 3.45Å; G322-A361 WeakPolarHBondContact CA-O 3.36Å; L323-A361 HydrophobicContact CB-CB 4.19Å; L323-A361 PolarHBondContact N-O 2.88Å; L323-A361 PolarHBondContact O-N 3.35Å; V330-A361 HydrophobicContact CB-CB 4.17Å; V330-A361 HydrophobicContact CG1-CB 3.8Å; V347-A361 HydrophobicContact CG1-CB 4.11Å; S349-A361 CarbonylContact O-C 3.31Å; S349-A361 WeakPolarHBondContact O-CA 3.22Å; S349-A361 WeakPolarHBondContact O-CB 3.3Å; A361-F394 WeakPolarHBondContact O-CZ 3.01Å
362	M	98.9	Very high	98.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	152.4	164.8	-73.8	179	-170.5	0	0	109.7	L266 G269 D276 R320 V321 V347 T348 S349 M392	L266-M362 HydrophobicContact CD1-CB 4.37Å; L266-M362 HydrophobicContact CD1-CE 3.9Å; L266-M362 HydrophobicContact CD1-CG 3.73Å; L266-M362 HydrophobicContact CD1-SD 4.04Å; G269-M362 VanDerWaalsContact O-CE 3.31Å; G269-M362 WeakPolarHBondContact O-CE 3.48Å; D276-M362 HydrophobicContact CB-SD 4.38Å; R320-M362 PolarHBondContact NH1-SD 3.39Å; R320-M362 VanDerWaalsContact NH1-SD 3.35Å; V321-M362 WeakPolarHBondContact O-CA 3.27Å; V347-M362 CarbonylContact C-O 3.54Å; V347-M362 WeakPolarHBondContact CA-O 3.5Å; V347-M362 WeakPolarHBondContact CG1-O 3.13Å; T348-M362 PolarHBondContact N-O 2.72Å; T348-M362 PolarHBondContact OG1-O 2.93Å; S349-M362 PolarHBondContact N-O 3.31Å; S349-M362 PolarHBondContact O-N 3.4Å; M362-M392 HydrophobicContact CE-SD 3.45Å; M362-M392 WeakPolarHBondContact CE-SD 3.29Å; M362-M392 HydrophobicContact CG-SD 3.78Å; M362-M392 HydrophobicContact SD-SD 4.17Å
363	G	98.8	Very high	98.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	177.4	172.8	0	0	0	0	0	111.8	R320 V321 A346	R320-G363 CarbonylContact C-O 3.32Å; R320-G363 WeakPolarHBondContact CA-O 3.38Å; V321-G363 PolarHBondContact N-O 3.12Å; V321-G363 PolarHBondContact O-N 3.22Å; A346-G363 CarbonylContact O-C 3.49Å; A346-G363 WeakPolarHBondContact O-CA 3.38Å
364	Y	98.8	Very high	98.2	Very high	21 Å²	21	52.8 Å²	52.8	8%	0.082	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.3	179.5	-76.6	-96.5	0	0	0	111	D276 T281 E285 G286 K318 R319 R320 G345 A346 T348	D276-Y364 WeakPolarHBondContact O-CE2 3.4Å; D276-Y364 VanDerWaalsContact O-CZ 3.3Å; D276-Y364 PolarHBondContact O-OH 3.47Å; T281-Y364 HydrophobicContact CG2-CE1 4.23Å; T281-Y364 HydrophobicContact CG2-CE2 4.29Å; E285-Y364 HydrophobicContact CB-CE1 4.24Å; E285-Y364 WeakPolarHBondContact O-CE1 3.33Å; G286-Y364 WeakPolarHBondContact CA-OH 3.48Å; K318-Y364 HydrophobicContact CB-CD1 4.1Å; K318-Y364 HydrophobicContact CD-CD1 3.9Å; K318-Y364 HydrophobicContact CD-CG 4.36Å; K318-Y364 HydrophobicContact CG-CD1 3.86Å; R319-Y364 WeakPolarHBondContact O-CA 3.37Å; R320-Y364 HydrophobicContact CB-CD1 4.32Å; R320-Y364 HydrophobicContact CB-CE1 3.84Å; R320-Y364 HydrophobicContact CB-CE2 4.24Å; R320-Y364 HydrophobicContact CG-CE2 4.4Å; G345-Y364 WeakPolarHBondContact CA-O 3.37Å; A346-Y364 PolarHBondContact N-O 2.86Å; A346-Y364 PolarHBondContact O-N 3.39Å; T348-Y364 HydrophobicContact CG2-CD2 3.78Å; T348-Y364 HydrophobicContact CG2-CE2 3.92Å
365	V	98.7	Very high	98.2	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.8	173.5	-62.2	0	0	0	0	110.1	K318 R319 V321 I336 L376	K318-V365 CarbonylContact C-O 3.55Å; K318-V365 WeakPolarHBondContact CA-O 3.42Å; R319-V365 PolarHBondContact N-O 3.31Å; R319-V365 PolarHBondContact O-N 3.41Å; R319-V365 VanDerWaalsContact O-N 3.13Å; V321-V365 HydrophobicContact CG1-CG2 3.92Å; V321-V365 HydrophobicContact CG2-CG1 4.38Å; V321-V365 HydrophobicContact CG2-CG2 3.83Å; I336-V365 HydrophobicContact CB-CG1 4.44Å; I336-V365 HydrophobicContact CD1-CG1 3.98Å; I336-V365 HydrophobicContact CG2-CG1 3.83Å; V365-L376 HydrophobicContact CG1-CD1 4.1Å
366	P	98.3	Very high	98.2	Very high	36 Å²	36	55.6 Å²	55.6	23%	0.234	27%	0.271	C	S	.	.			trans	-53.6	147.6	170.3	-27.8	29.4	0	0	0	112.2	Q317 I344 K368 Y369	Q317-P366 WeakPolarHBondContact O-CA 3.39Å; I344-P366 HydrophobicContact CB-CG 4.39Å; I344-P366 WeakPolarHBondContact O-CD 3.25Å; P366-K368 HydrophobicContact CB-CG 4.28Å; P366-K368 PolarHBondContact O-N 2.64Å; P366-K368 VanDerWaalsContact O-N 3.07Å; P366-Y369 HydrophobicContact CB-CD2 3.96Å; P366-Y369 HydrophobicContact CB-CE2 4.44Å; P366-Y369 HydrophobicContact CG-CD2 4.03Å; P366-Y369 HydrophobicContact CG-CE2 4.31Å; P366-Y369 PolarHBondContact O-N 3.37Å
367	F	95.6	Very high	98.2	Very high	68 Å²	68	53.4 Å²	53.4	30%	0.298	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-49.9	-40.8	-175.9	-179.3	-96.3	0	0	0	113.3	E315 V316 Y369 S370	E315-F367 HydrophobicContact CB-CB 4.1Å; E315-F367 HydrophobicContact CB-CD1 3.88Å; E315-F367 HydrophobicContact CB-CE1 4.48Å; E315-F367 HydrophobicContact CB-CG 3.97Å; E315-F367 VanDerWaalsContact CD-CD1 3.4Å; E315-F367 HydrophobicContact CG-CD1 3.48Å; E315-F367 VanDerWaalsContact CG-CD1 3.48Å; E315-F367 HydrophobicContact CG-CE1 3.71Å; E315-F367 HydrophobicContact CG-CG 4.09Å; E315-F367 HydrophobicContact CG-CZ 4.47Å; E315-F367 WeakPolarHBondContact OE1-CD1 3.36Å; V316-F367 WeakPolarHBondContact O-CB 3.44Å; F367-Y369 PolarHBondContact O-N 3.29Å; F367-Y369 VanDerWaalsContact O-N 3.13Å; F367-S370 VanDerWaalsContact O-CB 3.31Å; F367-S370 WeakPolarHBondContact O-CB 3.36Å; F367-S370 PolarHBondContact O-N 2.67Å; F367-S370 PolarHBondContact O-OG 3.28Å
368	K	96.5	Very high	98.2	Very high	149 Å²	149	44.2 Å²	44.2	65%	0.648	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-58.5	-24.3	178.1	68.3	-179.9	-177.6	177.4	0	115.1	P366	P366-K368 HydrophobicContact CB-CG 4.28Å; P366-K368 PolarHBondContact O-N 2.64Å; P366-K368 VanDerWaalsContact O-N 3.07Å
369	Y	98.2	Very high	98.1	Very high	47 Å²	47	43.3 Å²	43.3	18%	0.184	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-97.7	0.2	177	-61.2	-67.9	0	0	0	113.1	I344 P366 F367 R371 T374 L376	I344-Y369 HydrophobicContact CB-CD2 4.49Å; I344-Y369 HydrophobicContact CB-CE2 4.25Å; I344-Y369 HydrophobicContact CD1-CD1 4.26Å; I344-Y369 HydrophobicContact CD1-CD2 3.58Å; I344-Y369 HydrophobicContact CD1-CE1 4.42Å; I344-Y369 HydrophobicContact CD1-CE2 3.72Å; I344-Y369 HydrophobicContact CD1-CG 3.86Å; I344-Y369 HydrophobicContact CG2-CE2 3.88Å; P366-Y369 HydrophobicContact CB-CD2 3.96Å; P366-Y369 HydrophobicContact CB-CE2 4.44Å; P366-Y369 HydrophobicContact CG-CD2 4.03Å; P366-Y369 HydrophobicContact CG-CE2 4.31Å; P366-Y369 PolarHBondContact O-N 3.37Å; F367-Y369 PolarHBondContact O-N 3.29Å; F367-Y369 VanDerWaalsContact O-N 3.13Å; Y369-R371 VanDerWaalsContact C-N 3.32Å; Y369-R371 PolarHBondContact O-N 2.85Å; Y369-T374 HydrophobicContact CD1-CG2 4.27Å; Y369-L376 HydrophobicContact CD1-CD2 4.05Å; Y369-L376 HydrophobicContact CG-CD2 4.31Å
370	S	97.6	Very high	97.9	Very high	16 Å²	16	43.4 Å²	43.4	11%	0.112	22%	0.218	C	C	.	.			trans	-82.4	-6.3	-170	71.8	0	0	0	0	115.2	F367	F367-S370 VanDerWaalsContact O-CB 3.31Å; F367-S370 WeakPolarHBondContact O-CB 3.36Å; F367-S370 PolarHBondContact O-N 2.67Å; F367-S370 PolarHBondContact O-OG 3.28Å
371	R	97.9	Very high	97.4	Very high	197 Å²	197	53.5 Å²	53.5	74%	0.743	26%	0.256	S	S	*	.	S	Bend	trans	-68.3	130.1	-178.2	-176.8	178.3	174	166.9	-0.4	110.3	Y369 G373 T374	Y369-R371 VanDerWaalsContact C-N 3.32Å; Y369-R371 PolarHBondContact O-N 2.85Å; R371-G373 PolarHBondContact O-N 3.27Å; R371-T374 VanDerWaalsContact O-CB 3.29Å; R371-T374 WeakPolarHBondContact O-CB 3.22Å; R371-T374 PolarHBondContact O-N 3.1Å; R371-T374 VanDerWaalsContact O-N 3.12Å; R371-T374 PolarHBondContact O-OG1 2.96Å
372	P	98.6	Very high	96.9	Very high	75 Å²	75	65 Å²	65	49%	0.487	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	137	170.3	-27.5	35.8	0	0	0	112.2	V389 K391	P372-V389 CarbonylContact C-O 3.17Å; P372-V389 WeakPolarHBondContact CA-O 3.25Å; P372-K391 HydrophobicContact CB-CB 4.42Å; P372-K391 HydrophobicContact CG-CB 4.2Å
373	G	98.5	Very high	96.7	Very high	52 Å²	52	72.8 Å²	72.8	54%	0.536	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-8.8	-173.7	0	0	0	0	0	114.8	R371 Q375 V389	R371-G373 PolarHBondContact O-N 3.27Å; G373-Q375 PolarHBondContact O-N 3Å; G373-V389 PolarHBondContact N-O 2.85Å
374	T	98.7	Very high	96.5	Very high	32 Å²	32	78.1 Å²	78.1	20%	0.196	36%	0.358	C	S	.	.			trans	-63.8	127.8	176.2	-56.7	0	0	0	0	110.4	Y369 R371 L376 V388 V389	Y369-T374 HydrophobicContact CD1-CG2 4.27Å; R371-T374 VanDerWaalsContact O-CB 3.29Å; R371-T374 WeakPolarHBondContact O-CB 3.22Å; R371-T374 PolarHBondContact O-N 3.1Å; R371-T374 VanDerWaalsContact O-N 3.12Å; R371-T374 PolarHBondContact O-OG1 2.96Å; T374-L376 HydrophobicContact CG2-CD2 3.98Å; T374-L376 HydrophobicContact CG2-CG 4.3Å; T374-V388 WeakPolarHBondContact O-CA 3.29Å; T374-V389 PolarHBondContact O-N 3.43Å
375	Q	98.5	Very high	96.4	Very high	117 Å²	117	78.8 Å²	78.8	55%	0.547	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135	174	-66.7	-177.1	7.7	0	0	110.3	T339 G373 M386 V388	T339-Q375 HydrophobicContact CG2-CB 4.23Å; G373-Q375 PolarHBondContact O-N 3Å; Q375-M386 HydrophobicContact CB-SD 4.13Å; Q375-V388 HydrophobicContact CG-CG2 4.46Å
376	L	98.4	Very high	96.3	Very high	0 Å²	0	83.4 Å²	83.4	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	169.3	-179.3	-58.6	178	0	0	0	109.4	L323 I336 I344 V365 Y369 T374 M386 T387 V389	L323-L376 HydrophobicContact CD2-CD1 4.1Å; I336-L376 HydrophobicContact CG2-CB 4.34Å; I336-L376 HydrophobicContact CG2-CD1 3.91Å; I344-L376 HydrophobicContact CD1-CD2 3.83Å; V365-L376 HydrophobicContact CG1-CD1 4.1Å; Y369-L376 HydrophobicContact CD1-CD2 4.05Å; Y369-L376 HydrophobicContact CG-CD2 4.31Å; T374-L376 HydrophobicContact CG2-CD2 3.98Å; T374-L376 HydrophobicContact CG2-CG 4.3Å; L376-M386 VanDerWaalsContact O-SD 3.38Å; L376-T387 PolarHBondContact N-O 2.86Å; L376-T387 PolarHBondContact O-N 3.32Å; L376-V389 HydrophobicContact CD1-CG2 3.45Å; L376-V389 VanDerWaalsContact CD1-CG2 3.45Å; L376-V389 HydrophobicContact CG-CG2 4.11Å
377	L	98.4	Very high	96.3	Very high	19 Å²	19	81.8 Å²	81.8	10%	0.099	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.9	168.6	-59.4	174	0	0	0	109.3	L337 Q384 Q385 M386	L337-L377 HydrophobicContact CB-CB 4.17Å; L337-L377 HydrophobicContact CD1-CB 4.44Å; L337-L377 PolarHBondContact N-O 2.83Å; L337-L377 PolarHBondContact O-N 3.13Å; L377-Q384 HydrophobicContact CD1-CB 4.38Å; L377-Q385 WeakPolarHBondContact CA-O 3.32Å; L377-M386 HydrophobicContact CD2-CE 3.94Å; L377-M386 HydrophobicContact CD2-SD 4.17Å
378	V	97.9	Very high	96.4	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.3	168.7	179.5	0	0	0	0	108.7	L323 V330 P335 I336 V347 V380 Q385 T387	L323-V378 HydrophobicContact CD1-CG2 4.34Å; V330-V378 HydrophobicContact CG1-CG1 3.79Å; V330-V378 HydrophobicContact CG2-CB 4.28Å; V330-V378 HydrophobicContact CG2-CG1 3.92Å; P335-V378 WeakPolarHBondContact O-CA 3.36Å; I336-V378 HydrophobicContact CG1-CG2 4.3Å; V347-V378 HydrophobicContact CG2-CG1 4.04Å; V378-V380 HydrophobicContact CG1-CG2 4.13Å; V378-V380 PolarHBondContact O-N 3.41Å; V378-Q385 PolarHBondContact N-O 2.66Å; V378-Q385 PolarHBondContact O-N 3.36Å; V378-T387 HydrophobicContact CG2-CG2 4Å; V378-T387 WeakPolarHBondContact CG2-OG1 3.47Å
379	E	96.6	Very high	96.6	Very high	69 Å²	69	74.2 Å²	74.2	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112	173.9	-91.5	-179.6	-153.1	0	0	111.1	S334 P335 L337 K383 Q384	S334-E379 WeakPolarHBondContact CB-O 3.31Å; S334-E379 PolarHBondContact OG-O 3.22Å; P335-E379 HydrophobicContact CB-CB 4.38Å; P335-E379 HydrophobicContact CG-CB 4.34Å; P335-E379 PolarHBondContact O-N 2.89Å; L337-E379 HydrophobicContact CD1-CB 4.36Å; L337-E379 HydrophobicContact CD1-CG 3.87Å; E379-K383 CarbonylContact C-O 3.58Å; E379-K383 WeakPolarHBondContact CA-O 3.4Å; E379-Q384 HydrophobicContact CG-CG 4.36Å
380	V	92.9	Very high	96.6	Very high	11 Å²	11	73.8 Å²	73.8	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119	177.2	-173.6	0	0	0	0	108.7	A328 V330 V378 R382 K383 Q385	A328-V380 HydrophobicContact CB-CB 4.46Å; A328-V380 HydrophobicContact CB-CG1 3.51Å; V330-V380 HydrophobicContact CG2-CG2 3.69Å; V378-V380 HydrophobicContact CG1-CG2 4.13Å; V378-V380 PolarHBondContact O-N 3.41Å; V380-R382 PolarHBondContact O-N 3.4Å; V380-K383 PolarHBondContact N-O 3.46Å; V380-K383 PolarHBondContact O-N 2.99Å; V380-Q385 HydrophobicContact CG2-CB 4.26Å
381	R	88.7	Confident	96.6	Very high	213 Å²	213	80.3 Å²	80.3	80%	0.804	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	43.4	-178	-58.7	177.4	177.1	-179	-1.7	112.6	K383	R381-K383 PolarHBondContact O-N 3.4Å
382	R	88.8	Confident	96.6	Very high	243 Å²	243	73 Å²	73	92%	0.917	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	18.2	-177.6	-52	179.8	178.8	177.9	-1.3	115.1	V380	V380-R382 PolarHBondContact O-N 3.4Å
383	K	93.4	Very high	96.7	Very high	162 Å²	162	71.8 Å²	71.8	70%	0.704	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.8	172.1	-64.6	-171.8	177.6	-173.8	0	109.7	E379 V380 R381	E379-K383 CarbonylContact C-O 3.58Å; E379-K383 WeakPolarHBondContact CA-O 3.4Å; V380-K383 PolarHBondContact N-O 3.46Å; V380-K383 PolarHBondContact O-N 2.99Å; R381-K383 PolarHBondContact O-N 3.4Å
384	Q	95.6	Very high	96.7	Very high	113 Å²	113	70.2 Å²	70.2	53%	0.528	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.3	174.7	-66.2	176	-9.4	0	0	109.5	L377 E379	L377-Q384 HydrophobicContact CD1-CB 4.38Å; E379-Q384 HydrophobicContact CG-CG 4.36Å
385	Q	95.9	Very high	96.7	Very high	35 Å²	35	69.6 Å²	69.6	16%	0.164	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.4	180	-173.8	172	-80.7	0	0	109.9	C325 E326 A328 L377 V378 V380 T387	C325-Q385 PolarHBondContact SG-NE2 2.92Å; E326-Q385 PolarHBondContact O-NE2 3.25Å; E326-Q385 PolarHBondContact O-OE1 2.8Å; A328-Q385 VanDerWaalsContact N-OE1 3.08Å; A328-Q385 PolarHBondContact O-NE2 3.17Å; A328-Q385 PolarHBondContact O-OE1 3.48Å; L377-Q385 WeakPolarHBondContact CA-O 3.32Å; V378-Q385 PolarHBondContact N-O 2.66Å; V378-Q385 PolarHBondContact O-N 3.36Å; V380-Q385 HydrophobicContact CG2-CB 4.26Å; Q385-T387 PolarHBondContact O-N 3.17Å; Q385-T387 PolarHBondContact O-OG1 3.31Å
386	M	97.6	Very high	96.7	Very high	98 Å²	98	68.9 Å²	68.9	48%	0.483	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	131.3	175.3	-172.8	60.2	71.7	0	0	110.5	Q375 L376 L377	Q375-M386 HydrophobicContact CB-SD 4.13Å; L376-M386 VanDerWaalsContact O-SD 3.38Å; L377-M386 HydrophobicContact CD2-CE 3.94Å; L377-M386 HydrophobicContact CD2-SD 4.17Å
387	T	98	Very high	96.7	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.5	-175.1	-59.5	0	0	0	0	109	L323 C325 L376 V378 Q385	L323-T387 HydrophobicContact CB-CG2 3.71Å; L323-T387 HydrophobicContact CD1-CG2 4.43Å; L323-T387 HydrophobicContact CD2-CG2 4.12Å; L323-T387 HydrophobicContact CG-CG2 4.3Å; C325-T387 HydrophobicContact CB-CG2 4.16Å; L376-T387 PolarHBondContact N-O 2.86Å; L376-T387 PolarHBondContact O-N 3.32Å; V378-T387 HydrophobicContact CG2-CG2 4Å; V378-T387 WeakPolarHBondContact CG2-OG1 3.47Å; Q385-T387 PolarHBondContact O-N 3.17Å; Q385-T387 PolarHBondContact O-OG1 3.31Å
388	V	98.6	Very high	96.7	Very high	56 Å²	56	74.8 Å²	74.8	34%	0.339	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.2	179.5	178.7	0	0	0	0	109.9	L323 V324 T374 Q375 S390	L323-V388 WeakPolarHBondContact CA-O 3.42Å; V324-V388 PolarHBondContact N-O 3.04Å; V324-V388 PolarHBondContact O-N 3.32Å; T374-V388 WeakPolarHBondContact O-CA 3.29Å; Q375-V388 HydrophobicContact CG-CG2 4.46Å; V388-S390 PolarHBondContact O-N 3.31Å
389	V	98.8	Very high	96.7	Very high	3 Å²	3	77.7 Å²	77.7	2%	0.018	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	122.8	170.7	179.4	0	0	0	0	109.2	V321 G322 L323 P372 G373 T374 L376	V321-V389 HydrophobicContact CB-CG1 4.04Å; V321-V389 HydrophobicContact CG1-CG1 4.3Å; V321-V389 HydrophobicContact CG2-CG1 4.48Å; G322-V389 CarbonylContact O-C 3.44Å; G322-V389 WeakPolarHBondContact O-CA 3.34Å; L323-V389 HydrophobicContact CD2-CG2 3.98Å; P372-V389 CarbonylContact C-O 3.17Å; P372-V389 WeakPolarHBondContact CA-O 3.25Å; G373-V389 PolarHBondContact N-O 2.85Å; T374-V389 PolarHBondContact O-N 3.43Å; L376-V389 HydrophobicContact CD1-CG2 3.45Å; L376-V389 VanDerWaalsContact CD1-CG2 3.45Å; L376-V389 HydrophobicContact CG-CG2 4.11Å
390	S	98.7	Very high	96.8	Very high	37 Å²	37	77.7 Å²	77.7	26%	0.259	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	147.6	178.4	-177	0	0	0	0	110.9	G322 V388	G322-S390 PolarHBondContact O-N 3.3Å; V388-S390 PolarHBondContact O-N 3.31Å
391	K	98.4	Very high	97	Very high	154 Å²	154	81.6 Å²	81.6	67%	0.67	39%	0.389	S	S	*	.			trans	-62.1	142.5	165	-174.5	173.7	178.5	-177.5	0	108.9	P372	P372-K391 HydrophobicContact CB-CB 4.42Å; P372-K391 HydrophobicContact CG-CB 4.2Å
392	M	98.6	Very high	97.1	Very high	43 Å²	43	76.3 Å²	76.3	21%	0.212	38%	0.376	C	S	.	.	S	Bend	trans	-105.6	144.9	168.5	-69.5	-176.7	-63.8	0	0	109.8	R320 M362 F394	R320-M392 VanDerWaalsContact NH1-CE 3.31Å; M362-M392 HydrophobicContact CE-SD 3.45Å; M362-M392 WeakPolarHBondContact CE-SD 3.29Å; M362-M392 HydrophobicContact CG-SD 3.78Å; M362-M392 HydrophobicContact SD-SD 4.17Å; M392-F394 HydrophobicContact CG-CD2 4.17Å; M392-F394 HydrophobicContact CG-CE1 4.37Å; M392-F394 HydrophobicContact CG-CE2 3.76Å; M392-F394 HydrophobicContact CG-CZ 3.88Å; M392-F394 HydrophobicContact SD-CE2 3.9Å; M392-F394 HydrophobicContact SD-CZ 4.08Å
393	P	98.7	Very high	96.2	Very high	49 Å²	49	77.9 Å²	77.9	32%	0.318	39%	0.39	S	S	.	.	S	Bend	cis	-67.2	152.9	-0.8	35	-40.8	0	0	0	112	A268 V395 T397	A268-P393 WeakPolarHBondContact O-CB 3.48Å; P393-V395 VanDerWaalsContact CB-O 3.29Å; P393-V395 WeakPolarHBondContact CB-O 3.38Å; P393-T397 HydrophobicContact CB-CG2 4.21Å; P393-T397 HydrophobicContact CG-CG2 4.03Å
394	F	98.7	Very high	96.4	Very high	19 Å²	19	73.7 Å²	73.7	8%	0.083	37%	0.374	C	S	.	.	S	Bend	trans	-75.1	-33.2	178.9	-57.5	-88.7	0	0	0	111.5	L266 E267 V324 L356 V360 A361 M392	L266-F394 WeakPolarHBondContact O-CD2 3.27Å; L266-F394 VanDerWaalsContact O-CE2 3.28Å; L266-F394 WeakPolarHBondContact O-CE2 3.46Å; E267-F394 PolarHBondContact O-N 2.95Å; V324-F394 HydrophobicContact CG2-CD1 3.71Å; V324-F394 HydrophobicContact CG2-CE1 3.83Å; L356-F394 HydrophobicContact CD1-CB 3.79Å; V360-F394 HydrophobicContact CB-CD1 4.42Å; V360-F394 HydrophobicContact CB-CD2 4.38Å; V360-F394 HydrophobicContact CB-CE1 4.32Å; V360-F394 HydrophobicContact CB-CE2 4.28Å; V360-F394 HydrophobicContact CB-CG 4.44Å; V360-F394 HydrophobicContact CB-CZ 4.24Å; V360-F394 HydrophobicContact CG1-CB 4.38Å; V360-F394 HydrophobicContact CG1-CD1 3.99Å; V360-F394 HydrophobicContact CG1-CD2 4.44Å; V360-F394 HydrophobicContact CG1-CE1 4.31Å; V360-F394 HydrophobicContact CG1-CG 4.05Å; A361-F394 WeakPolarHBondContact O-CZ 3.01Å; M392-F394 HydrophobicContact CG-CD2 4.17Å; M392-F394 HydrophobicContact CG-CE1 4.37Å; M392-F394 HydrophobicContact CG-CE2 3.76Å; M392-F394 HydrophobicContact CG-CZ 3.88Å; M392-F394 HydrophobicContact SD-CE2 3.9Å; M392-F394 HydrophobicContact SD-CZ 4.08Å
395	V	98.8	Very high	96.4	Very high	20 Å²	20	71.6 Å²	71.6	12%	0.121	37%	0.366	C	S	.	.	S	Bend	trans	-111.1	130.6	170.7	178.6	0	0	0	0	107.7	E267 L356 P393 T397	E267-V395 HydrophobicContact CB-CB 4.49Å; E267-V395 HydrophobicContact CB-CG2 4.08Å; E267-V395 HydrophobicContact CG-CG2 4.19Å; E267-V395 PolarHBondContact O-N 3.4Å; L356-V395 HydrophobicContact CD1-CG2 4.22Å; L356-V395 HydrophobicContact CD2-CG2 3.92Å; L356-V395 HydrophobicContact CG-CG2 3.93Å; P393-V395 VanDerWaalsContact CB-O 3.29Å; P393-V395 WeakPolarHBondContact CB-O 3.38Å; V395-T397 PolarHBondContact O-N 2.68Å
396	P	98.6	Very high	96.4	Very high	101 Å²	101	73.6 Å²	73.6	66%	0.656	38%	0.377	S	S	*	.			trans	-52.8	136	177.6	-26.9	35.3	0	0	0	112.4
397	T	98.6	Very high	96.4	Very high	53 Å²	53	72.2 Å²	72.2	33%	0.325	37%	0.371	S	S	.	.			trans	-79.3	149.1	178.2	52.1	0	0	0	0	111.6	G227 P393 V395 Y399	G227-T397 CarbonylContact O-C 3.58Å; G227-T397 WeakPolarHBondContact O-CA 3.35Å; G227-T397 VanDerWaalsContact O-CB 3.29Å; G227-T397 WeakPolarHBondContact O-CB 3.41Å; P393-T397 HydrophobicContact CB-CG2 4.21Å; P393-T397 HydrophobicContact CG-CG2 4.03Å; V395-T397 PolarHBondContact O-N 2.68Å; T397-Y399 HydrophobicContact CG2-CD2 4.43Å; T397-Y399 HydrophobicContact CG2-CE1 4.42Å; T397-Y399 HydrophobicContact CG2-CE2 3.75Å
398	N	98.4	Very high	96.3	Very high	90 Å²	90	76.6 Å²	76.6	48%	0.481	39%	0.393	S	S	.	.			trans	-113.6	33.8	179.8	-66.6	-46.6	0	0	0	113	G227 E228 D229 Y400	G227-N398 PolarHBondContact O-N 3.04Å; E228-N398 PolarHBondContact OE2-ND2 3.31Å; D229-N398 WeakPolarHBondContact CB-O 3.32Å; D229-N398 PolarHBondContact N-O 3.25Å; N398-Y400 PolarHBondContact O-N 2.91Å
399	Y	98.5	Very high	96.1	Very high	62 Å²	62	78 Å²	78	24%	0.243	40%	0.397	C	S	.	.			trans	-58.2	130.7	179.4	-56.8	-39	0	0	0	112.2	F204 T397 T401	F204-Y399 HydrophobicContact CD1-CD2 4.3Å; F204-Y399 HydrophobicContact CD1-CG 4.17Å; F204-Y399 AromaticContact CD2-CD1 3.98Å; F204-Y399 HydrophobicContact CD2-CD1 3.98Å; F204-Y399 HydrophobicContact CD2-CG 4.06Å; F204-Y399 HydrophobicContact CE1-CD1 4.47Å; F204-Y399 AromaticContact CE1-CD2 3.91Å; F204-Y399 HydrophobicContact CE1-CD2 3.91Å; F204-Y399 HydrophobicContact CE1-CE2 4.24Å; F204-Y399 HydrophobicContact CE1-CG 4.05Å; F204-Y399 AromaticContact CE2-CD1 3.61Å; F204-Y399 HydrophobicContact CE2-CD1 3.61Å; F204-Y399 HydrophobicContact CE2-CD2 4.48Å; F204-Y399 AromaticContact CE2-CE1 3.91Å; F204-Y399 HydrophobicContact CE2-CE1 3.91Å; F204-Y399 AromaticContact CE2-CG 3.93Å; F204-Y399 HydrophobicContact CE2-CG 3.93Å; F204-Y399 HydrophobicContact CG-CG 4.19Å; F204-Y399 AromaticContact CZ-CD1 3.9Å; F204-Y399 HydrophobicContact CZ-CD1 3.9Å; F204-Y399 HydrophobicContact CZ-CD2 4.02Å; F204-Y399 AromaticContact CZ-CE1 3.96Å; F204-Y399 HydrophobicContact CZ-CE1 3.96Å; F204-Y399 HydrophobicContact CZ-CE2 4.08Å; F204-Y399 AromaticContact CZ-CG 3.93Å; F204-Y399 HydrophobicContact CZ-CG 3.93Å; T397-Y399 HydrophobicContact CG2-CD2 4.43Å; T397-Y399 HydrophobicContact CG2-CE1 4.42Å; T397-Y399 HydrophobicContact CG2-CE2 3.75Å; Y399-T401 PolarHBondContact O-N 3.18Å
400	Y	98.4	Very high	95.9	Very high	69 Å²	69	83.4 Å²	83.4	27%	0.271	42%	0.424	S	S	.	.			trans	-76.1	112	179.2	179	-108.6	0	0	0	111.6	R200 F204 N398 L402	R200-Y400 WeakPolarHBondContact CA-OH 3.46Å; R200-Y400 VanDerWaalsContact O-CE1 3.27Å; R200-Y400 WeakPolarHBondContact O-CE1 3.42Å; R200-Y400 PolarHBondContact O-OH 3.38Å; F204-Y400 VanDerWaalsContact CB-O 3.24Å; F204-Y400 WeakPolarHBondContact CB-O 3.26Å; F204-Y400 PolarHBondContact N-O 2.95Å; N398-Y400 PolarHBondContact O-N 2.91Å; Y400-L402 HydrophobicContact CE1-CD2 4.44Å
401	T	96.2	Very high	95.7	Very high	92 Å²	92	86.9 Å²	86.9	56%	0.564	44%	0.437	S	S	*	.			trans	-114.9	148.5	171.9	59.5	0	0	0	0	110.6	Y399	Y399-T401 PolarHBondContact O-N 3.18Å
402	L	92.8	Very high	95.5	Very high	102 Å²	102	81.3 Å²	81.3	53%	0.534	42%	0.417	S	S	.	.			trans	-62.2	138.9	170.6	-64	176.4	0	0	0	109	R200 P203 Y400	R200-L402 WeakPolarHBondContact O-CD2 3.19Å; P203-L402 HydrophobicContact CB-CG 4.03Å; P203-L402 HydrophobicContact CG-CD1 4.09Å; P203-L402 HydrophobicContact CG-CG 4.07Å; Y400-L402 HydrophobicContact CE1-CD2 4.44Å
403	K	69.7	Low	95.2	Very high	276 Å²	276	84.8 Å²	84.8	100%	1.2	44%	0.436	S	S	*	.			trans	-82	0	174.9	-73.4	-173.5	177.8	-179.4	0	111.6

Retrieved 403 of 403 residues in 115.2 ms (Link to these results)

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