A0A096MLR9_PAPAN Loading...

Protein phosphatase methylesterase 1

Demethylates proteins that have been reversibly carboxymethylated. Demethylates PPP2CB (in vitro) and PPP2CA. Binding to PPP2CA displaces the manganese ion and inactivates the enzyme.

AlphaFold DB , UniProt , Accession A0A096MLR9, Species PAPAN (Papio anubis, Olive baboon), Gene PPME1, Length 400 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	45.6	Very low	39.3	Very low	216 Å²	216	127.9 Å²	127.9	100%	1.064	71%	0.712	S	S	*	*				0	125.7	0	-76.4	-161.1	-76.6	0	0	109.2	E5	M1-E5 VanDerWaalsContact C-OE2 3.32Å; M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 WeakPolarHBondContact CB-OE2 3.44Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å
2	S	43.8	Very low	39.3	Very low	72 Å²	72	137.3 Å²	137.3	50%	0.503	73%	0.728	S	S	.	*			trans	-73.7	152	-173	168.6	0	0	0	0	111.1	L4 E5	S2-L4 PolarHBondContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.44Å; S2-E5 PolarHBondContact N-OE2 3.44Å; S2-E5 PolarHBondContact O-N 3.16Å
3	A	39.3	Very low	39.2	Very low	89 Å²	89	138.9 Å²	138.9	74%	0.736	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-17.4	176.1	0	0	0	0	0	113.4
4	L	39.1	Very low	39.1	Very low	135 Å²	135	138.1 Å²	138.1	71%	0.707	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-33	171.7	-113.3	90.3	0	0	0	113.6	S2 K6 S7	S2-L4 PolarHBondContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.44Å; L4-K6 VanDerWaalsContact C-N 3.32Å; L4-K6 PolarHBondContact O-N 3.15Å; L4-S7 PolarHBondContact O-N 3.14Å; L4-S7 PolarHBondContact O-OG 3.24Å
5	E	40.4	Very low	39.1	Very low	99 Å²	99	136.8 Å²	136.8	46%	0.463	75%	0.749	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.5	-27.9	-179	-71.2	169.6	140.1	0	0	112	M1 S2 S7	M1-E5 VanDerWaalsContact C-OE2 3.32Å; M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 WeakPolarHBondContact CB-OE2 3.44Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å; S2-E5 PolarHBondContact N-OE2 3.44Å; S2-E5 PolarHBondContact O-N 3.16Å; E5-S7 VanDerWaalsContact C-N 3.31Å; E5-S7 PolarHBondContact O-N 3.24Å
6	K	41.3	Very low	39	Very low	166 Å²	166	143 Å²	143	72%	0.722	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-23.3	173.4	-81.2	-177.6	175.7	179.8	0	113.5	L4	L4-K6 VanDerWaalsContact C-N 3.32Å; L4-K6 PolarHBondContact O-N 3.15Å
7	S	37.9	Very low	39	Very low	81 Å²	81	140.9 Å²	140.9	57%	0.566	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-18.8	-177.4	74.8	0	0	0	0	113.9	L4 E5	L4-S7 PolarHBondContact O-N 3.14Å; L4-S7 PolarHBondContact O-OG 3.24Å; E5-S7 VanDerWaalsContact C-N 3.31Å; E5-S7 PolarHBondContact O-N 3.24Å
8	M	36.6	Very low	38.9	Very low	152 Å²	152	140.1 Å²	140.1	75%	0.749	76%	0.757	S	S	*	*	S	Bend	trans	-92.1	-6.9	180	-59.9	-156.5	-49.9	0	0	114.2
9	H	37	Very low	38.7	Very low	169 Å²	169	141.4 Å²	141.4	78%	0.782	76%	0.763	S	S	*	*	S	Bend	trans	-103.2	1.7	-177.3	-85.6	45.9	0	0	0	114.9
10	L	35.1	Very low	38.5	Very low	159 Å²	159	141 Å²	141	83%	0.832	77%	0.768	S	S	*	*	S	Bend	trans	-97.1	6.1	178.3	-94.7	140.8	0	0	0	114.2
11	G	36	Very low	38.1	Very low	69 Å²	69	137.6 Å²	137.6	71%	0.711	77%	0.766	S	S	*	*	S	Bend	trans	-99.4	9.1	-176.2	0	0	0	0	0	116.9
12	R	40	Very low	37.5	Very low	240 Å²	240	133.4 Å²	133.4	91%	0.906	76%	0.758	S	S	*	*			trans	-128.7	57.4	-176.6	-71.5	-167.9	178.6	-156.7	0.8	113.8
13	L	37.5	Very low	36.8	Very low	159 Å²	159	134 Å²	134	83%	0.832	78%	0.775	S	S	*	*	S	Bend	trans	-135	140.1	160.6	-70.7	171.6	0	0	0	108.5	S15	L13-S15 PolarHBondContact O-N 3.37Å
14	P	37.5	Very low	36.4	Very low	128 Å²	128	133.5 Å²	133.5	83%	0.831	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-61.2	130.2	174	23.8	-30.3	0	0	0	109.8	R16	P14-R16 PolarHBondContact O-N 2.95Å
15	S	38.8	Very low	36.5	Very low	118 Å²	118	133 Å²	133	83%	0.825	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.6	131.4	178.1	39.2	0	0	0	0	110.9	L13	L13-S15 PolarHBondContact O-N 3.37Å
16	R	37.5	Very low	36.2	Very low	236 Å²	236	137.3 Å²	137.3	89%	0.891	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-61.8	133.7	173.3	-137.2	177.7	-175.5	-168	1.2	108.8	P14	P14-R16 PolarHBondContact O-N 2.95Å
17	P	39.2	Very low	36.4	Very low	108 Å²	108	135.8 Å²	135.8	70%	0.701	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.1	144.3	175.7	25.5	-31.3	0	0	0	110.6
18	P	37.9	Very low	36.2	Very low	125 Å²	125	135 Å²	135	81%	0.812	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-69.9	141.5	-177.3	26.8	-31.5	0	0	0	111.7
19	L	35	Very low	36.1	Very low	166 Å²	166	132.6 Å²	132.6	87%	0.869	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-65.2	137.1	168.5	-77.1	151.9	0	0	0	109.7	G21	L19-G21 PolarHBondContact O-N 2.86Å; L19-G21 VanDerWaalsContact O-N 3.15Å
20	P	34.5	Very low	35.8	Very low	132 Å²	132	134.3 Å²	134.3	86%	0.857	83%	0.831	S	S	*	*			trans	-76.9	105.1	177.4	29.5	-31.2	0	0	0	110.4
21	G	31.1	Very low	36	Very low	71 Å²	71	135 Å²	135	73%	0.732	83%	0.832	S	S	*	*			trans	-102.8	117.6	168.2	0	0	0	0	0	111.7	L19	L19-G21 PolarHBondContact O-N 2.86Å; L19-G21 VanDerWaalsContact O-N 3.15Å
22	S	32.8	Very low	36	Very low	128 Å²	128	143.3 Å²	143.3	90%	0.895	84%	0.842	S	S	*	*			trans	27.2	113.9	145	175.9	0	0	0	0	120.1
23	G	29.2	Very low	36.2	Very low	84 Å²	84	140.2 Å²	140.2	87%	0.866	84%	0.84	S	S	*	*			trans	125.5	102.2	138.9	0	0	0	0	0	116
24	G	29.6	Very low	36.6	Very low	78 Å²	78	135.3 Å²	135.3	80%	0.804	83%	0.828	S	S	*	*			trans	165	83.9	169.4	0	0	0	0	0	112.9	Q26	G24-Q26 PolarHBondContact O-N 3.34Å
25	S	41.3	Very low	37.2	Very low	125 Å²	125	135.6 Å²	135.6	87%	0.874	83%	0.829	S	S	*	*			trans	-61.5	113.7	179.8	-59.4	0	0	0	0	112.5
26	Q	35.3	Very low	37.8	Very low	190 Å²	190	133.2 Å²	133.2	89%	0.888	82%	0.824	S	S	*	*			trans	-137.2	124.9	154.4	-74.8	-166.8	-6.1	0	0	110.1	G24 G28	G24-Q26 PolarHBondContact O-N 3.34Å; Q26-G28 PolarHBondContact O-N 2.92Å
27	S	44.5	Very low	38.8	Very low	134 Å²	134	133.8 Å²	133.8	94%	0.937	83%	0.826	S	S	*	*			trans	-66.2	106	178.4	49.5	0	0	0	0	110.8
28	G	33.4	Very low	40.8	Very low	63 Å²	63	138 Å²	138	65%	0.649	83%	0.833	S	S	*	*			trans	-128.9	129.6	168.1	0	0	0	0	0	109.5	Q26 K30	Q26-G28 PolarHBondContact O-N 2.92Å; G28-K30 PolarHBondContact O-N 2.84Å
29	A	34	Very low	43.3	Very low	102 Å²	102	139.1 Å²	139.1	84%	0.843	82%	0.821	S	S	*	*			trans	-51.5	124.7	-177.2	0	0	0	0	0	111.9	M31	A29-M31 PolarHBondContact O-N 3.01Å
30	K	32.7	Very low	46.2	Very low	206 Å²	206	134.9 Å²	134.9	90%	0.896	80%	0.8	S	S	*	*			trans	-66.3	95.5	174.1	-74.6	-178.5	176.2	177.7	0	109.3	G28 R32	G28-K30 PolarHBondContact O-N 2.84Å; K30-R32 PolarHBondContact O-N 3.14Å
31	M	37.8	Very low	49.1	Very low	173 Å²	173	129.2 Å²	129.2	85%	0.852	76%	0.762	S	S	*	*			trans	-64.9	115.5	157.9	-76.6	-151.1	-175	0	0	107.8	A29 M33	A29-M31 PolarHBondContact O-N 3.01Å; M31-M33 PolarHBondContact O-N 3.06Å
32	R	37.2	Very low	52.3	Low	244 Å²	244	127.6 Å²	127.6	92%	0.921	74%	0.739	S	S	*	*			trans	-63.8	100.8	169.1	-81.5	-178.5	165.2	-169.3	-3.8	107.9	K30 G34	K30-R32 PolarHBondContact O-N 3.14Å; R32-G34 PolarHBondContact O-N 3.23Å
33	M	43.2	Very low	55.4	Low	175 Å²	175	124.3 Å²	124.3	86%	0.862	72%	0.715	S	S	*	*			trans	-59.8	120.2	164.2	-68.4	-69.4	-78.1	0	0	107.5	M31	M31-M33 PolarHBondContact O-N 3.06Å
34	G	46.1	Very low	58.6	Low	56 Å²	56	121.4 Å²	121.4	58%	0.577	68%	0.68	S	S	*	*			trans	-56.5	163.2	171.5	0	0	0	0	0	111	R32 G36	R32-G34 PolarHBondContact O-N 3.23Å; G34-G36 PolarHBondContact O-N 2.75Å
35	P	49.9	Very low	61.9	Low	133 Å²	133	121.2 Å²	121.2	86%	0.864	66%	0.664	S	S	*	*			trans	-55	115.6	179.8	24.5	-33	0	0	0	108.7	R37	P35-R37 PolarHBondContact O-N 2.77Å
36	G	51	Low	64.6	Low	69 Å²	69	118.7 Å²	118.7	71%	0.711	64%	0.636	S	S	*	*			trans	-53.3	118.2	180	0	0	0	0	0	109	G34 K38	G34-G36 PolarHBondContact O-N 2.75Å; G36-K38 PolarHBondContact O-N 2.99Å
37	R	59.9	Low	67.6	Low	247 Å²	247	112.8 Å²	112.8	93%	0.932	62%	0.616	S	S	*	*			trans	-56.3	113.1	179	-157.4	175.1	-173.5	177.6	1.1	106.9	P35 R39	P35-R37 PolarHBondContact O-N 2.77Å; R37-R39 PolarHBondContact O-N 3.44Å
38	K	79.8	Confident	70.2	Confident	198 Å²	198	113.2 Å²	113.2	86%	0.861	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-54.1	131.6	177.1	-74.7	-177.2	178.1	-179.7	0	107.8	G36 D40	G36-K38 PolarHBondContact O-N 2.99Å; K38-D40 PolarHBondContact O-N 2.78Å
39	R	91.1	Very high	73.3	Confident	147 Å²	147	111.8 Å²	111.8	56%	0.555	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62.9	135.4	174	-71.5	-172.6	-73.3	-178.6	-2.9	108.3	R37 F41 L224	R37-R39 PolarHBondContact O-N 3.44Å; R39-F41 HydrophobicContact CB-CD2 4.44Å; R39-F41 HydrophobicContact CB-CE2 3.75Å; R39-F41 HydrophobicContact CB-CZ 3.82Å; R39-F41 WeakPolarHBondContact O-CD2 3.49Å; R39-L224 HydrophobicContact CB-CD2 4.2Å; R39-L224 HydrophobicContact CG-CD2 4.46Å
40	D	95.3	Very high	76.4	Confident	78 Å²	78	107.1 Å²	107.1	42%	0.417	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-89	117	178.2	175.9	14.2	0	0	0	108.9	K38 S42 R228	K38-D40 PolarHBondContact O-N 2.78Å; D40-S42 VanDerWaalsContact CG-OG 3.22Å; D40-S42 WeakPolarHBondContact OD1-CB 3.29Å; D40-S42 PolarHBondContact OD1-N 2.79Å; D40-S42 PolarHBondContact OD1-OG 2.84Å; D40-S42 PolarHBondContact OD2-OG 2.91Å; D40-R228 WeakPolarHBondContact O-CD 3.29Å; D40-R228 IonicContact OD1-NH2 2.77Å; D40-R228 IonicContact OD2-CZ 2.75Å; D40-R228 IonicContact OD2-NH1 3.5Å; D40-R228 IonicContact OD2-NH2 2.78Å; D40-R228 PolarHBondContact OD2-NH2 2.79Å
41	F	96.9	Very high	79.5	Confident	13 Å²	13	103.6 Å²	103.6	6%	0.057	53%	0.525	C	S	.	.			trans	-106.3	10.7	179.3	-63.5	-77.7	0	0	0	112	R39 E209 I212 E213 V216 L224	R39-F41 HydrophobicContact CB-CD2 4.44Å; R39-F41 HydrophobicContact CB-CE2 3.75Å; R39-F41 HydrophobicContact CB-CZ 3.82Å; R39-F41 WeakPolarHBondContact O-CD2 3.49Å; F41-E209 HydrophobicContact CB-CG 3.72Å; F41-I212 HydrophobicContact CB-CG2 4.2Å; F41-I212 HydrophobicContact CD1-CG2 4.13Å; F41-I212 VanDerWaalsContact O-CD1 3.23Å; F41-I212 WeakPolarHBondContact O-CD1 3.49Å; F41-E213 HydrophobicContact CB-CB 4.19Å; F41-E213 HydrophobicContact CD1-CB 3.9Å; F41-E213 HydrophobicContact CD1-CG 4.28Å; F41-E213 HydrophobicContact CD2-CB 4.02Å; F41-E213 HydrophobicContact CD2-CG 3.95Å; F41-E213 HydrophobicContact CE1-CB 4.23Å; F41-E213 HydrophobicContact CE1-CG 4.15Å; F41-E213 HydrophobicContact CE2-CB 4.34Å; F41-E213 HydrophobicContact CE2-CG 3.81Å; F41-E213 HydrophobicContact CG-CB 3.78Å; F41-E213 HydrophobicContact CG-CG 4.18Å; F41-E213 HydrophobicContact CZ-CB 4.44Å; F41-E213 HydrophobicContact CZ-CG 3.92Å; F41-V216 HydrophobicContact CE1-CB 4.25Å; F41-V216 HydrophobicContact CE1-CG1 4.48Å; F41-V216 HydrophobicContact CE1-CG2 4.4Å; F41-L224 HydrophobicContact CD1-CD1 3.4Å; F41-L224 HydrophobicContact CE1-CD1 3.54Å; F41-L224 HydrophobicContact CG-CD1 4.44Å
42	S	96.9	Very high	82.4	Confident	36 Å²	36	97.6 Å²	97.6	25%	0.252	50%	0.501	S	S	.	.			trans	-60.1	141.8	176.3	60.4	0	0	0	0	111.3	D40 R228	D40-S42 VanDerWaalsContact CG-OG 3.22Å; D40-S42 WeakPolarHBondContact OD1-CB 3.29Å; D40-S42 PolarHBondContact OD1-N 2.79Å; D40-S42 PolarHBondContact OD1-OG 2.84Å; D40-S42 PolarHBondContact OD2-OG 2.91Å; S42-R228 PolarHBondContact O-NE 3.41Å; S42-R228 PolarHBondContact O-NH2 3.26Å; S42-R228 PolarHBondContact OG-NH2 2.84Å
43	P	97.6	Very high	85.3	Confident	60 Å²	60	89 Å²	89	39%	0.39	47%	0.472	S	S	.	.			trans	-63.7	145.5	179.8	27.2	-35	0	0	0	111.5	L208 I212 R228 V232	P43-L208 HydrophobicContact CB-CD2 3.62Å; P43-L208 HydrophobicContact CB-CG 4.06Å; P43-L208 HydrophobicContact CG-CD2 3.91Å; P43-L208 HydrophobicContact CG-CG 4.35Å; P43-I212 HydrophobicContact CB-CD1 3.9Å; P43-R228 WeakPolarHBondContact CA-O 3.41Å; P43-V232 HydrophobicContact CB-CG1 4.12Å
44	V	98.2	Very high	88	Confident	22 Å²	22	84.5 Å²	84.5	13%	0.133	45%	0.448	C	S	.	.			trans	-111.6	130.1	174.7	175.6	0	0	0	0	108.3	Q48 Y49 R228 V229	V44-Q48 HydrophobicContact CG1-CB 4Å; V44-Q48 HydrophobicContact CG1-CG 3.84Å; V44-Y49 HydrophobicContact CG1-CE2 3.82Å; V44-R228 HydrophobicContact CB-CB 4.34Å; V44-R228 HydrophobicContact CG2-CB 3.9Å; V44-R228 PolarHBondContact N-O 3.4Å; V44-V229 HydrophobicContact CB-CB 4.43Å
45	P	97.8	Very high	90.5	Very high	74 Å²	74	85.2 Å²	85.2	48%	0.481	44%	0.439	S	S	.	.			trans	-70.8	151.2	-178.8	29.1	-34	0	0	0	111.6	S47 Q48	P45-S47 PolarHBondContact O-N 3.43Å; P45-S47 VanDerWaalsContact O-N 3.15Å; P45-Q48 HydrophobicContact CG-CG 4.06Å; P45-Q48 PolarHBondContact O-N 3.46Å
46	W	98.5	Very high	92.8	Very high	73 Å²	73	79.2 Å²	79.2	28%	0.277	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-56.1	-30.3	178.1	64.5	-100.4	0	0	0	113	Q48 Y49 F50 M53 Y70 L90	W46-Q48 PolarHBondContact O-N 2.82Å; W46-Q48 VanDerWaalsContact O-N 3.07Å; W46-Y49 PolarHBondContact O-N 3.42Å; W46-F50 HydrophobicContact CB-CD2 4.31Å; W46-F50 HydrophobicContact CE3-CB 4.01Å; W46-F50 HydrophobicContact CZ3-CB 4.37Å; W46-F50 PolarHBondContact O-N 3.49Å; W46-M53 HydrophobicContact CH2-CB 3.99Å; W46-M53 HydrophobicContact CH2-CG 3.6Å; W46-M53 HydrophobicContact CH2-SD 4.34Å; W46-M53 HydrophobicContact CZ2-CB 4.1Å; W46-M53 HydrophobicContact CZ2-CG 3.4Å; W46-M53 VanDerWaalsContact CZ2-CG 3.4Å; W46-M53 HydrophobicContact CZ2-SD 3.53Å; W46-M53 VanDerWaalsContact CZ2-SD 3.53Å; W46-M53 HydrophobicContact CZ3-CB 4.21Å; W46-M53 HydrophobicContact CZ3-CG 4.32Å; W46-Y70 HydrophobicContact CB-CD1 3.95Å; W46-Y70 HydrophobicContact CB-CE1 3.72Å; W46-Y70 AromaticContact CD1-CE1 3.78Å; W46-Y70 AromaticContact CD2-CD1 3.81Å; W46-Y70 HydrophobicContact CD2-CD1 3.81Å; W46-Y70 AromaticContact CD2-CE1 3.72Å; W46-Y70 HydrophobicContact CD2-CE1 3.72Å; W46-Y70 AromaticContact CE3-CD1 3.86Å; W46-Y70 HydrophobicContact CE3-CD1 3.86Å; W46-Y70 HydrophobicContact CE3-CE1 4.25Å; W46-Y70 AromaticContact CG-CD1 3.87Å; W46-Y70 HydrophobicContact CG-CD1 3.87Å; W46-Y70 AromaticContact CG-CE1 3.46Å; W46-Y70 HydrophobicContact CG-CE1 3.46Å; W46-Y70 VanDerWaalsContact CG-CE1 3.46Å; W46-L90 HydrophobicContact CB-CD2 3.56Å
47	S	98.3	Very high	95.1	Very high	66 Å²	66	81.3 Å²	81.3	46%	0.462	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-66.6	-8.4	-177.4	58.5	0	0	0	0	114.1	P45 Y49	P45-S47 PolarHBondContact O-N 3.43Å; P45-S47 VanDerWaalsContact O-N 3.15Å; S47-Y49 VanDerWaalsContact C-N 3.32Å
48	Q	98.4	Very high	96.9	Very high	142 Å²	142	69.9 Å²	69.9	66%	0.664	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-78	-18	170.5	-67.3	-72	84.9	0	0	112.9	V44 P45 W46	V44-Q48 HydrophobicContact CG1-CB 4Å; V44-Q48 HydrophobicContact CG1-CG 3.84Å; P45-Q48 HydrophobicContact CG-CG 4.06Å; P45-Q48 PolarHBondContact O-N 3.46Å; W46-Q48 PolarHBondContact O-N 2.82Å; W46-Q48 VanDerWaalsContact O-N 3.07Å
49	Y	98.7	Very high	97.4	Very high	33 Å²	33	68.1 Å²	68.1	13%	0.129	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-27.7	-174.5	-61	-86.6	0	0	0	113.4	V44 W46 S47 A93 V94 A97 E225 V229	V44-Y49 HydrophobicContact CG1-CE2 3.82Å; W46-Y49 PolarHBondContact O-N 3.42Å; S47-Y49 VanDerWaalsContact C-N 3.32Å; Y49-A93 HydrophobicContact CD1-CB 4.29Å; Y49-A93 WeakPolarHBondContact CD1-O 3.48Å; Y49-A93 HydrophobicContact CD2-CB 3.91Å; Y49-A93 HydrophobicContact CG-CB 3.76Å; Y49-V94 HydrophobicContact CE1-CB 4.47Å; Y49-V94 HydrophobicContact CE1-CG2 3.97Å; Y49-A97 HydrophobicContact CD1-CB 4.08Å; Y49-E225 WeakPolarHBondContact OH-CG 3.49Å; Y49-E225 PolarHBondContact OH-OE1 3.05Å; Y49-V229 HydrophobicContact CD2-CB 4.24Å; Y49-V229 HydrophobicContact CD2-CG1 4.29Å; Y49-V229 HydrophobicContact CD2-CG2 3.83Å; Y49-V229 HydrophobicContact CE2-CB 3.81Å; Y49-V229 HydrophobicContact CE2-CG1 3.81Å; Y49-V229 HydrophobicContact CE2-CG2 3.93Å
50	F	98.8	Very high	97.1	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.018	33%	0.328	C	S	.	.			trans	-116	142.7	177.2	-54.3	-84.9	0	0	0	110.7	W46 Y70 L90 A93 T96 I107 A109	W46-F50 HydrophobicContact CB-CD2 4.31Å; W46-F50 HydrophobicContact CE3-CB 4.01Å; W46-F50 HydrophobicContact CZ3-CB 4.37Å; W46-F50 PolarHBondContact O-N 3.49Å; F50-Y70 HydrophobicContact CD2-CD1 4.17Å; F50-Y70 HydrophobicContact CD2-CG 4.14Å; F50-Y70 HydrophobicContact CE2-CG 4.28Å; F50-Y70 HydrophobicContact CG-CG 4.41Å; F50-L90 HydrophobicContact CE2-CD2 3.99Å; F50-A93 HydrophobicContact CE2-CB 3.84Å; F50-A93 HydrophobicContact CZ-CB 4.28Å; F50-T96 HydrophobicContact CD1-CG2 3.92Å; F50-T96 HydrophobicContact CE1-CG2 3.93Å; F50-T96 VanDerWaalsContact CE1-OG1 3.3Å; F50-T96 WeakPolarHBondContact CE1-OG1 3.35Å; F50-I107 HydrophobicContact CE1-CG2 4.23Å; F50-A109 HydrophobicContact CE1-CB 3.93Å; F50-A109 HydrophobicContact CZ-CB 4.07Å
51	E	98.8	Very high	96.3	Very high	133 Å²	133	69.3 Å²	69.3	62%	0.621	35%	0.354	S	S	*	.	S	Bend	trans	-76.3	-32.6	-178.7	-67.3	169.9	-165.1	0	0	112.1	K71 S72 G73	E51-K71 PolarHBondContact N-O 2.93Å; E51-S72 PolarHBondContact OE1-OG 3.26Å; E51-G73 PolarHBondContact OE1-N 3.39Å; E51-G73 VanDerWaalsContact OE1-N 3.14Å; E51-G73 PolarHBondContact OE2-N 2.85Å
52	S	98.8	Very high	95.2	Very high	47 Å²	47	72.6 Å²	72.6	33%	0.329	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	165.1	178.6	59.1	0	0	0	0	112	K71	S52-K71 PolarHBondContact N-O 2.99Å; S52-K71 VanDerWaalsContact N-O 3.17Å; S52-K71 PolarHBondContact O-N 2.88Å; S52-K71 WeakPolarHBondContact OG-CE 3.47Å
53	M	98.6	Very high	94.8	Very high	64 Å²	64	72.6 Å²	72.6	32%	0.315	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	156.6	167.7	64.2	166.1	-98.7	0	0	109.3	W46 R68 V69 Y70	W46-M53 HydrophobicContact CH2-CB 3.99Å; W46-M53 HydrophobicContact CH2-CG 3.6Å; W46-M53 HydrophobicContact CH2-SD 4.34Å; W46-M53 HydrophobicContact CZ2-CB 4.1Å; W46-M53 HydrophobicContact CZ2-CG 3.4Å; W46-M53 VanDerWaalsContact CZ2-CG 3.4Å; W46-M53 HydrophobicContact CZ2-SD 3.53Å; W46-M53 VanDerWaalsContact CZ2-SD 3.53Å; W46-M53 HydrophobicContact CZ3-CB 4.21Å; W46-M53 HydrophobicContact CZ3-CG 4.32Å; M53-R68 VanDerWaalsContact CE-NE 3.32Å; M53-V69 CarbonylContact C-O 3.6Å; M53-V69 VanDerWaalsContact CA-O 3.24Å; M53-V69 WeakPolarHBondContact CA-O 3.3Å; M53-V69 WeakPolarHBondContact CB-O 3.45Å; M53-Y70 HydrophobicContact CB-CD1 3.77Å; M53-Y70 HydrophobicContact CB-CE1 3.98Å; M53-Y70 HydrophobicContact SD-CE1 4.33Å
54	E	98.5	Very high	94.7	Very high	79 Å²	79	74.8 Å²	74.8	37%	0.369	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	145.2	178.6	-177.3	171.2	-160.1	0	0	110.3	V56 V69 K71	E54-V56 HydrophobicContact CG-CG2 4.12Å; E54-V69 HydrophobicContact CB-CG2 3.8Å; E54-V69 PolarHBondContact N-O 3.24Å; E54-V69 PolarHBondContact O-N 3.23Å; E54-K71 IonicContact OE2-NZ 3.35Å; E54-K71 PolarHBondContact OE2-NZ 3.2Å
55	D	98.8	Very high	94.6	Very high	72 Å²	72	73.7 Å²	73.7	39%	0.385	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	95.3	170.1	-84.8	-33.5	0	0	0	107.5	E57 T66 R68	D55-E57 PolarHBondContact O-N 3.46Å; D55-T66 HydrophobicContact CB-CG2 3.53Å; D55-R68 VanDerWaalsContact CG-NH2 3.28Å; D55-R68 IonicContact OD1-CZ 2.64Å; D55-R68 IonicContact OD1-NE 2.8Å; D55-R68 PolarHBondContact OD1-NE 2.93Å; D55-R68 IonicContact OD1-NH2 3.9Å; D55-R68 PolarHBondContact OD1-NH2 3.19Å; D55-R68 IonicContact OD2-CZ 2.99Å; D55-R68 IonicContact OD2-NE 3.53Å; D55-R68 IonicContact OD2-NH2 3.75Å; D55-R68 PolarHBondContact OD2-NH2 3.1Å
56	V	98.6	Very high	94.7	Very high	7 Å²	7	71.8 Å²	71.8	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.1	-176.8	-177.4	0	0	0	0	108.8	E54 V58 T66 F67 V69 V138 A141 M142	E54-V56 HydrophobicContact CG-CG2 4.12Å; V56-V58 HydrophobicContact CG1-CG2 4.38Å; V56-T66 CarbonylContact O-C 3.6Å; V56-T66 WeakPolarHBondContact O-CA 3.17Å; V56-F67 PolarHBondContact N-O 2.74Å; V56-F67 PolarHBondContact O-N 2.96Å; V56-V69 HydrophobicContact CG2-CG1 4.24Å; V56-V69 HydrophobicContact CG2-CG2 3.83Å; V56-V138 HydrophobicContact CG1-CG1 4.48Å; V56-A141 HydrophobicContact CG1-CB 3.57Å; V56-M142 HydrophobicContact CG1-CG 4.02Å; V56-M142 HydrophobicContact CG2-CG 3.74Å; V56-M142 HydrophobicContact CG2-SD 4.07Å
57	E	98.3	Very high	94.7	Very high	113 Å²	113	68.4 Å²	68.4	53%	0.528	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.9	177.8	-62.2	-171.2	129.8	0	0	110.4	D55 K64	D55-E57 PolarHBondContact O-N 3.46Å; E57-K64 WeakPolarHBondContact OE1-CE 3.34Å; E57-K64 IonicContact OE1-NZ 2.81Å; E57-K64 PolarHBondContact OE1-NZ 3.28Å; E57-K64 WeakPolarHBondContact OE2-CE 3.27Å; E57-K64 IonicContact OE2-NZ 2.84Å; E57-K64 PolarHBondContact OE2-NZ 3.03Å
58	V	97.4	Very high	94.7	Very high	6 Å²	6	66.4 Å²	66.4	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.9	179.5	172.9	0	0	0	0	108.8	V56 D65 F67 N137 V138 A141	V56-V58 HydrophobicContact CG1-CG2 4.38Å; V58-D65 PolarHBondContact N-O 3.14Å; V58-D65 PolarHBondContact O-N 3.49Å; V58-F67 HydrophobicContact CB-CD2 4.07Å; V58-F67 HydrophobicContact CB-CE2 4.07Å; V58-F67 HydrophobicContact CG1-CE2 4.5Å; V58-F67 HydrophobicContact CG2-CD2 3.74Å; V58-F67 HydrophobicContact CG2-CE2 4.13Å; V58-N137 HydrophobicContact CG1-CB 3.57Å; V58-N137 HydrophobicContact CG2-CB 4.4Å; V58-V138 HydrophobicContact CG2-CG2 4.09Å; V58-A141 HydrophobicContact CG2-CB 4.19Å
59	E	92.1	Very high	94.7	Very high	162 Å²	162	59.7 Å²	59.7	76%	0.757	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.2	171.9	-62.4	-172.2	169.2	0	0	109.8	K64	E59-K64 HydrophobicContact CG-CG 4.47Å
60	N	84.3	Confident	94.7	Very high	44 Å²	44	58.5 Å²	58.5	24%	0.235	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	175.9	177.5	64	44.5	0	0	0	111	T62 G63 D65	N60-T62 PolarHBondContact O-N 2.84Å; N60-T62 WeakPolarHBondContact OD1-CA 3.47Å; N60-T62 PolarHBondContact OD1-N 3.26Å; N60-T62 PolarHBondContact OD1-OG1 3.1Å; N60-G63 PolarHBondContact N-O 3.42Å; N60-G63 PolarHBondContact O-N 3.38Å; N60-G63 VanDerWaalsContact O-O 3.1Å; N60-G63 PolarHBondContact OD1-N 3.15Å; N60-G63 VanDerWaalsContact OD1-N 3.1Å; N60-G63 PolarHBondContact OD1-O 3.45Å; N60-D65 PolarHBondContact ND2-OD2 2.86Å
61	E	77.3	Confident	94.7	Very high	205 Å²	205	60.9 Å²	60.9	96%	0.958	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.9	-178.2	-61	179.7	-177	0	0	113.4
62	T	75.6	Confident	94.7	Very high	83 Å²	83	55 Å²	55	51%	0.509	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-5.3	-177.1	68.4	0	0	0	0	114	N60	N60-T62 PolarHBondContact O-N 2.84Å; N60-T62 WeakPolarHBondContact OD1-CA 3.47Å; N60-T62 PolarHBondContact OD1-N 3.26Å; N60-T62 PolarHBondContact OD1-OG1 3.1Å
63	G	87.8	Confident	94.7	Very high	36 Å²	36	53.9 Å²	53.9	37%	0.371	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.2	-145.7	178.6	0	0	0	0	0	113	N60	N60-G63 PolarHBondContact N-O 3.42Å; N60-G63 PolarHBondContact O-N 3.38Å; N60-G63 VanDerWaalsContact O-O 3.1Å; N60-G63 PolarHBondContact OD1-N 3.15Å; N60-G63 VanDerWaalsContact OD1-N 3.1Å; N60-G63 PolarHBondContact OD1-O 3.45Å
64	K	94.2	Very high	94.6	Very high	105 Å²	105	55.2 Å²	55.2	46%	0.457	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.2	-178	-168.1	178.1	-171.1	-174.9	0	109.9	E57 E59	E57-K64 WeakPolarHBondContact OE1-CE 3.34Å; E57-K64 IonicContact OE1-NZ 2.81Å; E57-K64 PolarHBondContact OE1-NZ 3.28Å; E57-K64 WeakPolarHBondContact OE2-CE 3.27Å; E57-K64 IonicContact OE2-NZ 2.84Å; E57-K64 PolarHBondContact OE2-NZ 3.03Å; E59-K64 HydrophobicContact CG-CG 4.47Å
65	D	97.8	Very high	94.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	158.4	175.3	-72.1	-14.5	0	0	0	109.8	V58 N60 F67 R113 V120 K121	V58-D65 PolarHBondContact N-O 3.14Å; V58-D65 PolarHBondContact O-N 3.49Å; N60-D65 PolarHBondContact ND2-OD2 2.86Å; D65-F67 HydrophobicContact CB-CD2 4.38Å; D65-F67 HydrophobicContact CB-CE2 3.72Å; D65-F67 HydrophobicContact CB-CZ 4.43Å; D65-R113 IonicContact OD2-CZ 2.59Å; D65-R113 IonicContact OD2-NH1 2.68Å; D65-R113 IonicContact OD2-NH2 3.82Å; D65-R113 PolarHBondContact OD2-NH2 2.98Å; D65-V120 HydrophobicContact CB-CB 4.39Å; D65-V120 HydrophobicContact CB-CG1 4.02Å; D65-V120 VanDerWaalsContact OD1-CA 3.24Å; D65-V120 WeakPolarHBondContact OD1-CA 3.48Å; D65-K121 PolarHBondContact OD1-N 3.29Å
66	T	98.6	Very high	94.5	Very high	34 Å²	34	54.4 Å²	54.4	21%	0.209	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.1	178	-55.1	0	0	0	0	109.5	D55 V56 T118 K119	D55-T66 HydrophobicContact CB-CG2 3.53Å; V56-T66 CarbonylContact O-C 3.6Å; V56-T66 WeakPolarHBondContact O-CA 3.17Å; T66-T118 CarbonylContact O-C 3.54Å; T66-T118 WeakPolarHBondContact O-CA 3.07Å; T66-K119 PolarHBondContact N-O 3.38Å; T66-K119 PolarHBondContact O-N 3.44Å
67	F	98.8	Very high	94.5	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.4	-179.5	-71.5	-90.3	0	0	0	111	V56 V58 D65 L110 R113 T118 V120 D134 V138	V56-F67 PolarHBondContact N-O 2.74Å; V56-F67 PolarHBondContact O-N 2.96Å; V58-F67 HydrophobicContact CB-CD2 4.07Å; V58-F67 HydrophobicContact CB-CE2 4.07Å; V58-F67 HydrophobicContact CG1-CE2 4.5Å; V58-F67 HydrophobicContact CG2-CD2 3.74Å; V58-F67 HydrophobicContact CG2-CE2 4.13Å; D65-F67 HydrophobicContact CB-CD2 4.38Å; D65-F67 HydrophobicContact CB-CE2 3.72Å; D65-F67 HydrophobicContact CB-CZ 4.43Å; F67-L110 HydrophobicContact CB-CD1 3.97Å; F67-L110 HydrophobicContact CD1-CD1 4.23Å; F67-R113 HydrophobicContact CE1-CB 4.48Å; F67-T118 WeakPolarHBondContact CA-OG1 3.39Å; F67-T118 HydrophobicContact CD1-CG2 3.5Å; F67-T118 HydrophobicContact CE1-CG2 3.74Å; F67-T118 HydrophobicContact CG-CG2 4.16Å; F67-V120 HydrophobicContact CE1-CG1 4.17Å; F67-V120 HydrophobicContact CE2-CG1 4.35Å; F67-V120 HydrophobicContact CZ-CG1 3.78Å; F67-D134 HydrophobicContact CE1-CB 3.79Å; F67-D134 HydrophobicContact CZ-CB 3.67Å; F67-D134 WeakPolarHBondContact CZ-OD1 3.24Å; F67-V138 HydrophobicContact CB-CG2 3.64Å; F67-V138 HydrophobicContact CD1-CG2 4.13Å; F67-V138 HydrophobicContact CD2-CG2 3.82Å; F67-V138 HydrophobicContact CG-CG2 3.58Å
68	R	98.9	Very high	94.6	Very high	25 Å²	25	49 Å²	49	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	128.5	176.7	173.3	62.1	52.8	70.1	9	110.3	M53 D55 Y70 D111 E117 T118	M53-R68 VanDerWaalsContact CE-NE 3.32Å; D55-R68 VanDerWaalsContact CG-NH2 3.28Å; D55-R68 IonicContact OD1-CZ 2.64Å; D55-R68 IonicContact OD1-NE 2.8Å; D55-R68 PolarHBondContact OD1-NE 2.93Å; D55-R68 IonicContact OD1-NH2 3.9Å; D55-R68 PolarHBondContact OD1-NH2 3.19Å; D55-R68 IonicContact OD2-CZ 2.99Å; D55-R68 IonicContact OD2-NE 3.53Å; D55-R68 IonicContact OD2-NH2 3.75Å; D55-R68 PolarHBondContact OD2-NH2 3.1Å; R68-Y70 HydrophobicContact CG-CD2 4.21Å; R68-Y70 HydrophobicContact CG-CE2 3.52Å; R68-D111 HydrophobicContact CB-CB 3.99Å; R68-D111 WeakPolarHBondContact CG-OD2 3.39Å; R68-D111 PolarHBondContact O-N 2.91Å; R68-E117 HydrophobicContact CB-CB 4.17Å; R68-E117 HydrophobicContact CG-CB 4.25Å; R68-T118 PolarHBondContact N-OG1 3.45Å
69	V	98.9	Very high	94.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146	167.9	-59.6	0	0	0	0	111.8	M53 E54 V56 K71 V108 A109 L110 V138 M142	M53-V69 CarbonylContact C-O 3.6Å; M53-V69 VanDerWaalsContact CA-O 3.24Å; M53-V69 WeakPolarHBondContact CA-O 3.3Å; M53-V69 WeakPolarHBondContact CB-O 3.45Å; E54-V69 HydrophobicContact CB-CG2 3.8Å; E54-V69 PolarHBondContact N-O 3.24Å; E54-V69 PolarHBondContact O-N 3.23Å; V56-V69 HydrophobicContact CG2-CG1 4.24Å; V56-V69 HydrophobicContact CG2-CG2 3.83Å; V69-K71 HydrophobicContact CG2-CD 4.21Å; V69-K71 HydrophobicContact CG2-CG 4.14Å; V69-V108 HydrophobicContact CB-CG1 4.02Å; V69-V108 HydrophobicContact CG1-CG1 3.91Å; V69-A109 CarbonylContact C-O 3.55Å; V69-A109 VanDerWaalsContact CA-O 3.32Å; V69-A109 WeakPolarHBondContact CA-O 3.31Å; V69-L110 HydrophobicContact CG1-CB 4.41Å; V69-L110 HydrophobicContact CG1-CD1 3.76Å; V69-V138 HydrophobicContact CG1-CG1 4.24Å; V69-M142 HydrophobicContact CG1-SD 4.29Å; V69-M142 HydrophobicContact CG2-CE 4.16Å; V69-M142 HydrophobicContact CG2-SD 4.36Å
70	Y	98.9	Very high	95	Very high	8 Å²	8	41.1 Å²	41.1	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133	169.1	-59.5	-92.2	0	0	0	109.3	W46 F50 M53 R68 A89 L90 A109	W46-Y70 HydrophobicContact CB-CD1 3.95Å; W46-Y70 HydrophobicContact CB-CE1 3.72Å; W46-Y70 AromaticContact CD1-CE1 3.78Å; W46-Y70 AromaticContact CD2-CD1 3.81Å; W46-Y70 HydrophobicContact CD2-CD1 3.81Å; W46-Y70 AromaticContact CD2-CE1 3.72Å; W46-Y70 HydrophobicContact CD2-CE1 3.72Å; W46-Y70 AromaticContact CE3-CD1 3.86Å; W46-Y70 HydrophobicContact CE3-CD1 3.86Å; W46-Y70 HydrophobicContact CE3-CE1 4.25Å; W46-Y70 AromaticContact CG-CD1 3.87Å; W46-Y70 HydrophobicContact CG-CD1 3.87Å; W46-Y70 AromaticContact CG-CE1 3.46Å; W46-Y70 HydrophobicContact CG-CE1 3.46Å; W46-Y70 VanDerWaalsContact CG-CE1 3.46Å; F50-Y70 HydrophobicContact CD2-CD1 4.17Å; F50-Y70 HydrophobicContact CD2-CG 4.14Å; F50-Y70 HydrophobicContact CE2-CG 4.28Å; F50-Y70 HydrophobicContact CG-CG 4.41Å; M53-Y70 HydrophobicContact CB-CD1 3.77Å; M53-Y70 HydrophobicContact CB-CE1 3.98Å; M53-Y70 HydrophobicContact SD-CE1 4.33Å; R68-Y70 HydrophobicContact CG-CD2 4.21Å; R68-Y70 HydrophobicContact CG-CE2 3.52Å; Y70-A89 HydrophobicContact CD2-CB 3.59Å; Y70-A89 HydrophobicContact CE2-CB 3.99Å; Y70-L90 HydrophobicContact CD1-CD2 4.1Å; Y70-L90 HydrophobicContact CD2-CD2 4.05Å; Y70-L90 HydrophobicContact CE1-CD2 3.84Å; Y70-L90 HydrophobicContact CE2-CD2 3.77Å; Y70-L90 HydrophobicContact CE2-CG 4.14Å; Y70-L90 HydrophobicContact CG-CD2 4.2Å; Y70-A109 PolarHBondContact N-O 3.07Å; Y70-A109 PolarHBondContact O-N 3.02Å
71	K	98.9	Very high	95.7	Very high	54 Å²	54	39 Å²	39	24%	0.235	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147	-166.9	-56.4	-178.7	-63.2	-175.4	0	112.3	E51 S52 E54 V69 I107 V108 M142	E51-K71 PolarHBondContact N-O 2.93Å; S52-K71 PolarHBondContact N-O 2.99Å; S52-K71 VanDerWaalsContact N-O 3.17Å; S52-K71 PolarHBondContact O-N 2.88Å; S52-K71 WeakPolarHBondContact OG-CE 3.47Å; E54-K71 IonicContact OE2-NZ 3.35Å; E54-K71 PolarHBondContact OE2-NZ 3.2Å; V69-K71 HydrophobicContact CG2-CD 4.21Å; V69-K71 HydrophobicContact CG2-CG 4.14Å; K71-I107 VanDerWaalsContact CA-O 3.28Å; K71-I107 WeakPolarHBondContact CA-O 3.28Å; K71-V108 HydrophobicContact CG-CG2 4.49Å; K71-M142 HydrophobicContact CD-CE 3.85Å
72	S	98.8	Very high	96.7	Very high	9 Å²	9	29.3 Å²	29.3	6%	0.063	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	149.8	175.9	-168.4	0	0	0	0	110.9	E51 R106 I107	E51-S72 PolarHBondContact OE1-OG 3.26Å; S72-R106 CarbonylContact O-C 3.03Å; S72-R106 WeakPolarHBondContact O-CA 3.34Å; S72-I107 PolarHBondContact N-O 3Å; S72-I107 PolarHBondContact O-N 3.43Å
73	G	98	Very high	97.8	Very high	25 Å²	25	25.3 Å²	25.3	26%	0.258	15%	0.153	S	C	.	.			trans	78.5	162	-177.9	0	0	0	0	0	114.4	E51	E51-G73 PolarHBondContact OE1-N 3.39Å; E51-G73 VanDerWaalsContact OE1-N 3.14Å; E51-G73 PolarHBondContact OE2-N 2.85Å
74	S	96.4	Very high	98.3	Very high	91 Å²	91	23.7 Å²	23.7	64%	0.636	14%	0.135	S	C	*	.	S	Bend	trans	-124.1	-20.7	-175.1	56.9	0	0	0	0	114.7	R106	S74-R106 WeakPolarHBondContact O-CD 3.4Å
75	E	97.5	Very high	98.4	Very high	106 Å²	106	19.4 Å²	19.4	50%	0.495	12%	0.121	S	C	.	.	S	Bend	trans	-132.2	166.6	-171.2	-70.4	177.6	-159	0	0	111.9	Q104 C105 R106	E75-Q104 HydrophobicContact CB-CG 3.89Å; E75-Q104 PolarHBondContact OE2-NE2 2.99Å; E75-C105 CarbonylContact O-C 3.59Å; E75-C105 WeakPolarHBondContact O-CA 3.49Å; E75-C105 PolarHBondContact O-N 3.05Å; E75-R106 PolarHBondContact O-N 3.43Å
76	G	98.2	Very high	98.3	Very high	29 Å²	29	19.7 Å²	19.7	30%	0.299	12%	0.124	S	C	.	.	S	Bend	trans	77.4	-173.6	-179.1	0	0	0	0	0	114.1	R106	G76-R106 VanDerWaalsContact O-CZ 3.26Å; G76-R106 PolarHBondContact O-NE 2.81Å; G76-R106 PolarHBondContact O-NH2 3.02Å
77	P	98.7	Very high	98.3	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.019	12%	0.118	C	C	.	.			trans	-68.4	150.3	-178.1	31.2	-36.3	0	0	0	111	C105 R106 P149 L175 L381 F386 A387	P77-C105 HydrophobicContact CG-CB 4.46Å; P77-C105 WeakPolarHBondContact O-CA 3.42Å; P77-C105 WeakPolarHBondContact O-CB 3.29Å; P77-R106 PolarHBondContact O-N 3.49Å; P77-P149 CarbonylContact C-O 3.58Å; P77-P149 WeakPolarHBondContact CA-O 3.18Å; P77-P149 HydrophobicContact CB-CB 4.46Å; P77-L175 HydrophobicContact CB-CD2 4.34Å; P77-L381 HydrophobicContact CG-CD2 4.39Å; P77-F386 VanDerWaalsContact CD-O 3.26Å; P77-F386 WeakPolarHBondContact CD-O 3.39Å; P77-F386 VanDerWaalsContact CG-O 3.3Å; P77-F386 WeakPolarHBondContact CG-O 3.39Å; P77-A387 HydrophobicContact CG-CB 3.89Å
78	V	98.9	Very high	98.3	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.3	171.4	170.6	0	0	0	0	109.2	R106 V108 P148 P149 I150 M151	V78-R106 CarbonylContact C-O 3.55Å; V78-R106 WeakPolarHBondContact CA-O 3.4Å; V78-R106 HydrophobicContact CB-CB 4.44Å; V78-R106 HydrophobicContact CG2-CB 3.73Å; V78-V108 HydrophobicContact CG1-CB 4.08Å; V78-V108 HydrophobicContact CG1-CG2 3.65Å; V78-P148 HydrophobicContact CB-CG 4.32Å; V78-P148 HydrophobicContact CG2-CB 4.16Å; V78-P148 HydrophobicContact CG2-CG 3.52Å; V78-P149 PolarHBondContact N-O 2.81Å; V78-I150 HydrophobicContact CB-CG1 3.9Å; V78-I150 HydrophobicContact CG1-CG1 4.21Å; V78-I150 CarbonylContact O-C 3.52Å; V78-I150 VanDerWaalsContact O-CA 3.29Å; V78-I150 WeakPolarHBondContact O-CA 3.34Å; V78-M151 PolarHBondContact O-N 3.39Å
79	L	98.9	Very high	98.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	108.1	165.8	-48.2	-176.6	0	0	0	107.9	L81 F95 I99 C105 R106 I107 V108 M151 I153 V377 L381	L79-L81 HydrophobicContact CB-CD2 3.82Å; L79-F95 HydrophobicContact CD1-CZ 4.48Å; L79-I99 HydrophobicContact CD1-CG1 3.87Å; L79-I99 HydrophobicContact CD1-CG2 4.48Å; L79-C105 HydrophobicContact CD1-CB 4.48Å; L79-C105 HydrophobicContact CG-CB 4.37Å; L79-R106 PolarHBondContact N-O 3.29Å; L79-I107 HydrophobicContact CB-CD1 3.76Å; L79-I107 HydrophobicContact CD1-CD1 3.75Å; L79-I107 HydrophobicContact CG-CD1 3.99Å; L79-V108 PolarHBondContact O-N 3.33Å; L79-M151 WeakPolarHBondContact CA-O 3.38Å; L79-M151 HydrophobicContact CD2-CB 3.78Å; L79-M151 HydrophobicContact CD2-CG 4.4Å; L79-M151 HydrophobicContact CD2-SD 4.26Å; L79-I153 HydrophobicContact CB-CD1 4.22Å; L79-I153 HydrophobicContact CD1-CD1 4.26Å; L79-I153 HydrophobicContact CD2-CD1 4.39Å; L79-V377 HydrophobicContact CD1-CG1 4.19Å; L79-L381 HydrophobicContact CD1-CD1 4.25Å; L79-L381 HydrophobicContact CD2-CD1 3.98Å; L79-L381 HydrophobicContact CD2-CD2 4.11Å
80	L	98.9	Very high	98.3	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	109.3	178.4	178.9	55.9	0	0	0	109.1	L82 V108 L110 V135 V139 I150 M151 L152 I153	L80-L82 HydrophobicContact CG-CD2 4.36Å; L80-V108 CarbonylContact C-O 3.52Å; L80-V108 WeakPolarHBondContact CA-O 3.4Å; L80-V108 HydrophobicContact CD1-CB 3.97Å; L80-V108 HydrophobicContact CD1-CG1 3.69Å; L80-V108 WeakPolarHBondContact CD1-O 3.17Å; L80-L110 HydrophobicContact CD1-CB 4.36Å; L80-V135 HydrophobicContact CD2-CG1 3.85Å; L80-V139 HydrophobicContact CD2-CG2 3.65Å; L80-I150 HydrophobicContact CB-CG2 3.92Å; L80-I150 HydrophobicContact CD2-CG2 4.4Å; L80-M151 PolarHBondContact N-O 2.87Å; L80-L152 HydrophobicContact CB-CD2 4.05Å; L80-L152 HydrophobicContact CD2-CD2 3.69Å; L80-L152 HydrophobicContact CG-CD2 3.82Å; L80-I153 PolarHBondContact O-N 3.33Å
81	L	98.9	Very high	98.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.7	-166.4	-44.6	-178.3	0	0	0	111.2	L79 W92 F95 I107 V108 A109 L110 I153	L79-L81 HydrophobicContact CB-CD2 3.82Å; L81-W92 HydrophobicContact CB-CB 4.42Å; L81-W92 HydrophobicContact CB-CD2 3.83Å; L81-W92 HydrophobicContact CB-CG 3.75Å; L81-W92 HydrophobicContact CB-CZ2 4.49Å; L81-W92 HydrophobicContact CD1-CB 3.56Å; L81-W92 HydrophobicContact CD1-CD2 3.94Å; L81-W92 HydrophobicContact CD1-CE3 4.13Å; L81-W92 HydrophobicContact CD1-CG 3.71Å; L81-W92 HydrophobicContact CG-CD2 4.4Å; L81-W92 HydrophobicContact CG-CG 4.37Å; L81-F95 HydrophobicContact CD1-CD1 3.77Å; L81-F95 HydrophobicContact CD1-CE1 3.72Å; L81-F95 HydrophobicContact CD2-CE1 3.91Å; L81-I107 HydrophobicContact CD1-CG2 3.67Å; L81-I107 HydrophobicContact CG-CG2 4.27Å; L81-V108 PolarHBondContact N-O 3.36Å; L81-A109 HydrophobicContact CB-CB 4.29Å; L81-A109 HydrophobicContact CD1-CB 4.31Å; L81-L110 PolarHBondContact O-N 2.87Å; L81-L110 VanDerWaalsContact O-N 3.16Å; L81-I153 CarbonylContact C-O 3.6Å; L81-I153 WeakPolarHBondContact CA-O 3.22Å; L81-I153 HydrophobicContact CD2-CB 3.79Å; L81-I153 HydrophobicContact CD2-CD1 3.89Å; L81-I153 HydrophobicContact CD2-CG1 4.08Å; L81-I153 HydrophobicContact CD2-CG2 4.46Å
82	L	98.9	Very high	98.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.5	-177.3	-52	-170.8	0	0	0	110.4	L80 L110 L112 V135 L152 I153 G154 H155 I161 A162	L80-L82 HydrophobicContact CG-CD2 4.36Å; L82-L110 HydrophobicContact CD2-CB 4.26Å; L82-L110 HydrophobicContact CD2-CD2 4.05Å; L82-L112 HydrophobicContact CB-CD1 4.43Å; L82-L112 HydrophobicContact CD2-CD2 4.25Å; L82-V135 HydrophobicContact CD1-CG2 3.95Å; L82-V135 HydrophobicContact CD2-CG2 4.05Å; L82-L152 HydrophobicContact CD1-CD2 4.16Å; L82-L152 HydrophobicContact CG-CD2 4.41Å; L82-I153 PolarHBondContact N-O 3.07Å; L82-G154 WeakPolarHBondContact O-CA 3.09Å; L82-H155 PolarHBondContact O-N 3.47Å; L82-I161 HydrophobicContact CD1-CB 4.37Å; L82-I161 HydrophobicContact CD1-CG2 4.17Å; L82-A162 HydrophobicContact CD1-CB 3.99Å
83	H	98.8	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-78.5	166.5	-174.9	67.1	72.5	0	0	0	113.7	H87 S88 A89 L110 L112 H115 H155 G158	H83-H87 HydrophobicContact CB-CB 4.05Å; H83-H87 PolarHBondContact CE1-O 3.32Å; H83-S88 VanDerWaalsContact CB-O 3.3Å; H83-S88 WeakPolarHBondContact CB-O 3.3Å; H83-S88 VanDerWaalsContact CD2-CA 3.46Å; H83-S88 WeakPolarHBondContact CD2-CA 3.21Å; H83-S88 VanDerWaalsContact CG-C 3.49Å; H83-A89 PolarHBondContact CD2-N 3.05Å; H83-L110 PolarHBondContact CD2-O 3.46Å; H83-L110 VanDerWaalsContact CD2-O 3.25Å; H83-L112 PolarHBondContact NE2-N 2.83Å; H83-H115 WeakPolarHBondContact CE1-CB 3.36Å; H83-H115 AromaticContact CE1-CD2 3.5Å; H83-H115 PolarHBondContact CE1-CD2 3.37Å; H83-H115 VanDerWaalsContact CE1-CD2 3.5Å; H83-H115 AromaticContact CE1-CG 3.38Å; H83-H155 CarbonylContact C-O 3.54Å; H83-G158 VanDerWaalsContact O-CA 3.24Å; H83-G158 WeakPolarHBondContact O-CA 3.19Å; H83-G158 PolarHBondContact O-N 3.08Å; H83-G158 VanDerWaalsContact O-N 3.12Å
84	G	97.5	Very high	98.3	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.01	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-73.8	171.8	175	0	0	0	0	0	114.7	G86 H87 H155	G84-G86 PolarHBondContact O-N 2.99Å; G84-H87 WeakPolarHBondContact O-CB 3.46Å; G84-H87 PolarHBondContact O-N 3.03Å; G84-H155 VanDerWaalsContact CA-O 3.28Å; G84-H155 WeakPolarHBondContact CA-O 3.48Å; G84-H155 PolarHBondContact N-O 2.89Å
85	G	96.6	Very high	98.4	Very high	15 Å²	15	9.4 Å²	9.4	16%	0.155	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	132.8	179.7	0	0	0	0	0	112.1	H87	G85-H87 PolarHBondContact O-CD2 3.41Å; G85-H87 PolarHBondContact O-N 3.46Å
86	G	96.4	Very high	98.5	Very high	6 Å²	6	4.3 Å²	4.3	6%	0.062	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	0.1	-176.8	0	0	0	0	0	115.2	G84 H115	G84-G86 PolarHBondContact O-N 2.99Å; G86-H115 PolarHBondContact N-CD2 3.44Å; G86-H115 PolarHBondContact N-NE2 2.8Å
87	H	98.2	Very high	98.5	Very high	18 Å²	18	5.2 Å²	5.2	8%	0.083	4%	0.039	C	C	.	.			trans	-94.1	-167.4	177.4	-73.9	-134.2	0	0	0	111.5	H83 G84 G85 S91 H115 E367	H83-H87 HydrophobicContact CB-CB 4.05Å; H83-H87 PolarHBondContact CE1-O 3.32Å; G84-H87 WeakPolarHBondContact O-CB 3.46Å; G84-H87 PolarHBondContact O-N 3.03Å; G85-H87 PolarHBondContact O-CD2 3.41Å; G85-H87 PolarHBondContact O-N 3.46Å; H87-S91 PolarHBondContact ND1-OG 3.39Å; H87-H115 WeakPolarHBondContact O-CB 3.49Å; H87-H115 PolarHBondContact O-CD2 3.42Å; H87-H115 VanDerWaalsContact O-CD2 3.24Å; H87-E367 IonicContact CE1-OE1 3.34Å; H87-E367 IonicContact ND1-OE1 3.89Å; H87-E367 PolarHBondContact ND1-OE1 2.75Å
88	S	98.8	Very high	98.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.042	C	C	.	.			trans	-146.3	174.5	169.5	84.3	0	0	0	0	110.4	H83 L90 S91 D111 G233	H83-S88 VanDerWaalsContact CB-O 3.3Å; H83-S88 WeakPolarHBondContact CB-O 3.3Å; H83-S88 VanDerWaalsContact CD2-CA 3.46Å; H83-S88 WeakPolarHBondContact CD2-CA 3.21Å; H83-S88 VanDerWaalsContact CG-C 3.49Å; S88-L90 PolarHBondContact O-N 3.21Å; S88-L90 VanDerWaalsContact O-N 3.08Å; S88-L90 WeakPolarHBondContact OG-CB 3.48Å; S88-L90 PolarHBondContact OG-N 3.4Å; S88-S91 WeakPolarHBondContact O-CB 3.45Å; S88-S91 PolarHBondContact O-N 3.43Å; S88-S91 PolarHBondContact O-OG 3.29Å; S88-D111 VanDerWaalsContact CB-OD1 3.24Å; S88-D111 WeakPolarHBondContact CB-OD1 3.26Å; S88-G233 WeakPolarHBondContact OG-CA 3.46Å
89	A	98.9	Very high	98.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-50.5	-29.2	172.2	0	0	0	0	0	113.3	Y70 H83 S91 W92 A109 D111	Y70-A89 HydrophobicContact CD2-CB 3.59Å; Y70-A89 HydrophobicContact CE2-CB 3.99Å; H83-A89 PolarHBondContact CD2-N 3.05Å; A89-S91 PolarHBondContact O-N 2.95Å; A89-S91 VanDerWaalsContact O-N 3.17Å; A89-W92 WeakPolarHBondContact O-CB 3.42Å; A89-W92 PolarHBondContact O-N 3.2Å; A89-A109 HydrophobicContact CB-CB 3.78Å; A89-A109 WeakPolarHBondContact CB-O 3.21Å; A89-D111 WeakPolarHBondContact CB-OD1 3.33Å; A89-D111 PolarHBondContact N-OD1 2.85Å
90	L	98.8	Very high	98.4	Very high	4 Å²	4	7.4 Å²	7.4	2%	0.021	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-67.1	-15.1	-179	-59.6	179.9	0	0	0	113.4	W46 F50 Y70 S88 W92 A93 V232	W46-L90 HydrophobicContact CB-CD2 3.56Å; F50-L90 HydrophobicContact CE2-CD2 3.99Å; Y70-L90 HydrophobicContact CD1-CD2 4.1Å; Y70-L90 HydrophobicContact CD2-CD2 4.05Å; Y70-L90 HydrophobicContact CE1-CD2 3.84Å; Y70-L90 HydrophobicContact CE2-CD2 3.77Å; Y70-L90 HydrophobicContact CE2-CG 4.14Å; Y70-L90 HydrophobicContact CG-CD2 4.2Å; S88-L90 PolarHBondContact O-N 3.21Å; S88-L90 VanDerWaalsContact O-N 3.08Å; S88-L90 WeakPolarHBondContact OG-CB 3.48Å; S88-L90 PolarHBondContact OG-N 3.4Å; L90-W92 PolarHBondContact O-N 2.97Å; L90-A93 VanDerWaalsContact O-CB 3.23Å; L90-A93 WeakPolarHBondContact O-CB 3.3Å; L90-A93 PolarHBondContact O-N 2.77Å; L90-A93 VanDerWaalsContact O-N 3.14Å; L90-V232 HydrophobicContact CD1-CG2 3.24Å
91	S	98.8	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-60.8	-23.4	169.4	-40.2	0	0	0	0	111.7	H87 S88 A89 H366 E367	H87-S91 PolarHBondContact ND1-OG 3.39Å; S88-S91 WeakPolarHBondContact O-CB 3.45Å; S88-S91 PolarHBondContact O-N 3.43Å; S88-S91 PolarHBondContact O-OG 3.29Å; A89-S91 PolarHBondContact O-N 2.95Å; A89-S91 VanDerWaalsContact O-N 3.17Å; S91-H366 VanDerWaalsContact CB-NE2 3.34Å; S91-H366 WeakPolarHBondContact CB-NE2 3.27Å; S91-H366 PolarHBondContact O-CD2 3.49Å; S91-H366 VanDerWaalsContact O-CD2 3.29Å; S91-E367 WeakPolarHBondContact O-CG 3.41Å
92	W	98.9	Very high	98.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-91.3	4.7	178.7	-59.9	104.9	0	0	0	114.3	L81 A89 L90 F95 T96 A109 I153 H155 I180 H366	L81-W92 HydrophobicContact CB-CB 4.42Å; L81-W92 HydrophobicContact CB-CD2 3.83Å; L81-W92 HydrophobicContact CB-CG 3.75Å; L81-W92 HydrophobicContact CB-CZ2 4.49Å; L81-W92 HydrophobicContact CD1-CB 3.56Å; L81-W92 HydrophobicContact CD1-CD2 3.94Å; L81-W92 HydrophobicContact CD1-CE3 4.13Å; L81-W92 HydrophobicContact CD1-CG 3.71Å; L81-W92 HydrophobicContact CG-CD2 4.4Å; L81-W92 HydrophobicContact CG-CG 4.37Å; A89-W92 WeakPolarHBondContact O-CB 3.42Å; A89-W92 PolarHBondContact O-N 3.2Å; L90-W92 PolarHBondContact O-N 2.97Å; W92-F95 HydrophobicContact CE3-CB 4.16Å; W92-F95 AromaticContact CE3-CD1 3.67Å; W92-F95 HydrophobicContact CE3-CD1 3.67Å; W92-F95 HydrophobicContact CE3-CE1 4.24Å; W92-F95 AromaticContact CE3-CG 3.9Å; W92-F95 HydrophobicContact CE3-CG 3.9Å; W92-F95 HydrophobicContact CZ3-CD1 4.32Å; W92-F95 HydrophobicContact CZ3-CG 4.38Å; W92-F95 PolarHBondContact O-N 2.79Å; W92-T96 WeakPolarHBondContact O-CB 3.39Å; W92-T96 PolarHBondContact O-N 2.76Å; W92-T96 PolarHBondContact O-OG1 2.84Å; W92-A109 HydrophobicContact CB-CB 4.32Å; W92-I153 HydrophobicContact CH2-CG2 3.79Å; W92-I153 HydrophobicContact CZ3-CG2 4.15Å; W92-H155 HydrophobicContact CH2-CB 4.36Å; W92-H155 HydrophobicContact CZ2-CB 4.04Å; W92-I180 HydrophobicContact CH2-CD1 3.66Å; W92-I180 HydrophobicContact CZ3-CD1 3.95Å; W92-H366 AromaticContact CD2-CD2 3.82Å; W92-H366 HydrophobicContact CE3-CB 3.92Å; W92-H366 AromaticContact CE3-CD2 3.7Å; W92-H366 AromaticContact CE3-CG 3.9Å; W92-H366 HydrophobicContact CH2-CB 4.12Å; W92-H366 AromaticContact CH2-CG 3.91Å; W92-H366 HydrophobicContact CZ3-CB 3.51Å; W92-H366 AromaticContact CZ3-CD2 3.93Å; W92-H366 AromaticContact CZ3-CG 3.66Å
93	A	98.8	Very high	98.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.1	-53.3	-174.2	0	0	0	0	0	112.8	Y49 F50 L90 T96 A97 V229	Y49-A93 HydrophobicContact CD1-CB 4.29Å; Y49-A93 WeakPolarHBondContact CD1-O 3.48Å; Y49-A93 HydrophobicContact CD2-CB 3.91Å; Y49-A93 HydrophobicContact CG-CB 3.76Å; F50-A93 HydrophobicContact CE2-CB 3.84Å; F50-A93 HydrophobicContact CZ-CB 4.28Å; L90-A93 VanDerWaalsContact O-CB 3.23Å; L90-A93 WeakPolarHBondContact O-CB 3.3Å; L90-A93 PolarHBondContact O-N 2.77Å; L90-A93 VanDerWaalsContact O-N 3.14Å; A93-T96 WeakPolarHBondContact O-CB 3.33Å; A93-T96 PolarHBondContact O-N 2.85Å; A93-A97 PolarHBondContact O-N 2.81Å; A93-V229 HydrophobicContact CB-CB 4.34Å; A93-V229 HydrophobicContact CB-CG1 3.61Å; A93-V229 HydrophobicContact CB-CG2 3.74Å
94	V	98.8	Very high	98.1	Very high	9 Å²	9	15.6 Å²	15.6	6%	0.055	10%	0.096	C	C	.	.	H	α-helix	trans	-71.1	-35.9	-178.5	-167.4	0	0	0	0	111.2	Y49 T96 A97 A98 E225 V229 P370	Y49-V94 HydrophobicContact CE1-CB 4.47Å; Y49-V94 HydrophobicContact CE1-CG2 3.97Å; V94-T96 VanDerWaalsContact C-N 3.27Å; V94-T96 PolarHBondContact O-N 3.07Å; V94-A97 PolarHBondContact O-N 2.94Å; V94-A98 WeakPolarHBondContact O-CB 3.33Å; V94-A98 PolarHBondContact O-N 3Å; V94-E225 HydrophobicContact CG2-CG 4.03Å; V94-V229 HydrophobicContact CG2-CG1 4.42Å; V94-P370 HydrophobicContact CB-CB 3.99Å; V94-P370 HydrophobicContact CB-CG 3.95Å; V94-P370 HydrophobicContact CG1-CB 3.87Å; V94-P370 HydrophobicContact CG1-CG 3.49Å; V94-P370 VanDerWaalsContact CG1-CG 3.49Å
95	F	98.8	Very high	98.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.6	-41.2	171.1	165.9	-95.8	0	0	0	111.7	L79 L81 W92 A98 I99 I153 P370 V373 A374 V377	L79-F95 HydrophobicContact CD1-CZ 4.48Å; L81-F95 HydrophobicContact CD1-CD1 3.77Å; L81-F95 HydrophobicContact CD1-CE1 3.72Å; L81-F95 HydrophobicContact CD2-CE1 3.91Å; W92-F95 HydrophobicContact CE3-CB 4.16Å; W92-F95 AromaticContact CE3-CD1 3.67Å; W92-F95 HydrophobicContact CE3-CD1 3.67Å; W92-F95 HydrophobicContact CE3-CE1 4.24Å; W92-F95 AromaticContact CE3-CG 3.9Å; W92-F95 HydrophobicContact CE3-CG 3.9Å; W92-F95 HydrophobicContact CZ3-CD1 4.32Å; W92-F95 HydrophobicContact CZ3-CG 4.38Å; W92-F95 PolarHBondContact O-N 2.79Å; F95-A98 WeakPolarHBondContact O-CB 3.44Å; F95-A98 PolarHBondContact O-N 3.29Å; F95-I99 HydrophobicContact CD1-CG2 4.32Å; F95-I99 HydrophobicContact CE1-CB 4.41Å; F95-I99 HydrophobicContact CE1-CG2 3.91Å; F95-I99 HydrophobicContact CE2-CB 4.27Å; F95-I99 HydrophobicContact CZ-CB 4.08Å; F95-I99 HydrophobicContact CZ-CG1 4.28Å; F95-I99 HydrophobicContact CZ-CG2 4.07Å; F95-I99 WeakPolarHBondContact O-CG2 3.46Å; F95-I99 PolarHBondContact O-N 3.32Å; F95-I153 HydrophobicContact CZ-CD1 4.31Å; F95-P370 HydrophobicContact CB-CB 4.38Å; F95-V373 HydrophobicContact CD2-CB 4.14Å; F95-V373 HydrophobicContact CD2-CG1 3.81Å; F95-V373 HydrophobicContact CE2-CB 4.43Å; F95-V373 HydrophobicContact CE2-CG1 3.79Å; F95-A374 HydrophobicContact CD2-CB 4.14Å; F95-A374 HydrophobicContact CE2-CB 4.15Å; F95-V377 HydrophobicContact CE2-CG2 4.29Å; F95-V377 HydrophobicContact CZ-CG1 4.49Å; F95-V377 HydrophobicContact CZ-CG2 4.44Å
96	T	98.9	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61	-49.2	180	-64.8	0	0	0	0	111.6	F50 W92 A93 V94 A98 I99 I100 I107	F50-T96 HydrophobicContact CD1-CG2 3.92Å; F50-T96 HydrophobicContact CE1-CG2 3.93Å; F50-T96 VanDerWaalsContact CE1-OG1 3.3Å; F50-T96 WeakPolarHBondContact CE1-OG1 3.35Å; W92-T96 WeakPolarHBondContact O-CB 3.39Å; W92-T96 PolarHBondContact O-N 2.76Å; W92-T96 PolarHBondContact O-OG1 2.84Å; A93-T96 WeakPolarHBondContact O-CB 3.33Å; A93-T96 PolarHBondContact O-N 2.85Å; V94-T96 VanDerWaalsContact C-N 3.27Å; V94-T96 PolarHBondContact O-N 3.07Å; T96-A98 VanDerWaalsContact C-N 3.29Å; T96-A98 PolarHBondContact O-N 3.17Å; T96-I99 WeakPolarHBondContact O-CG2 3.37Å; T96-I99 PolarHBondContact O-N 2.83Å; T96-I100 HydrophobicContact CG2-CG1 4.46Å; T96-I100 WeakPolarHBondContact O-CB 3.41Å; T96-I100 WeakPolarHBondContact O-CG1 3.37Å; T96-I100 PolarHBondContact O-N 2.62Å; T96-I100 VanDerWaalsContact O-N 3.1Å; T96-I107 HydrophobicContact CG2-CB 4.2Å; T96-I107 HydrophobicContact CG2-CG1 3.84Å; T96-I107 HydrophobicContact CG2-CG2 4.2Å
97	A	98.4	Very high	98.3	Very high	47 Å²	47	18.1 Å²	18.1	39%	0.388	10%	0.1	S	C	.	.	H	α-helix	trans	-60.2	-41.2	175.2	0	0	0	0	0	111.7	Y49 A93 V94 S101	Y49-A97 HydrophobicContact CD1-CB 4.08Å; A93-A97 PolarHBondContact O-N 2.81Å; V94-A97 PolarHBondContact O-N 2.94Å; A97-S101 PolarHBondContact O-N 3.24Å
98	A	98.1	Very high	98.4	Very high	8 Å²	8	17.5 Å²	17.5	7%	0.066	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-46.9	178.9	0	0	0	0	0	112.7	V94 F95 T96 S101 R102 A374	V94-A98 WeakPolarHBondContact O-CB 3.33Å; V94-A98 PolarHBondContact O-N 3Å; F95-A98 WeakPolarHBondContact O-CB 3.44Å; F95-A98 PolarHBondContact O-N 3.29Å; T96-A98 VanDerWaalsContact C-N 3.29Å; T96-A98 PolarHBondContact O-N 3.17Å; A98-S101 PolarHBondContact O-OG 2.64Å; A98-R102 WeakPolarHBondContact O-CG 3.3Å; A98-R102 PolarHBondContact O-NH1 3.24Å; A98-A374 HydrophobicContact CB-CB 3.65Å
99	I	98.3	Very high	98.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-73.9	-38.5	-175.6	-169.7	65	0	0	0	112.8	L79 F95 T96 S101 R102 V103 I107 A374 V377 A378	L79-I99 HydrophobicContact CD1-CG1 3.87Å; L79-I99 HydrophobicContact CD1-CG2 4.48Å; F95-I99 HydrophobicContact CD1-CG2 4.32Å; F95-I99 HydrophobicContact CE1-CB 4.41Å; F95-I99 HydrophobicContact CE1-CG2 3.91Å; F95-I99 HydrophobicContact CE2-CB 4.27Å; F95-I99 HydrophobicContact CZ-CB 4.08Å; F95-I99 HydrophobicContact CZ-CG1 4.28Å; F95-I99 HydrophobicContact CZ-CG2 4.07Å; F95-I99 WeakPolarHBondContact O-CG2 3.46Å; F95-I99 PolarHBondContact O-N 3.32Å; T96-I99 WeakPolarHBondContact O-CG2 3.37Å; T96-I99 PolarHBondContact O-N 2.83Å; I99-S101 PolarHBondContact O-N 3.03Å; I99-R102 PolarHBondContact O-N 3.39Å; I99-V103 HydrophobicContact CD1-CG2 3.78Å; I99-V103 HydrophobicContact CG1-CG2 3.95Å; I99-V103 PolarHBondContact O-N 3.28Å; I99-V103 VanDerWaalsContact O-N 3.14Å; I99-I107 HydrophobicContact CG2-CD1 3.78Å; I99-I107 HydrophobicContact CG2-CG1 4.42Å; I99-A374 HydrophobicContact CB-CB 4Å; I99-A374 HydrophobicContact CD1-CB 4.21Å; I99-A374 VanDerWaalsContact CD1-O 3.24Å; I99-A374 WeakPolarHBondContact CD1-O 3.45Å; I99-V377 HydrophobicContact CD1-CB 4.29Å; I99-V377 HydrophobicContact CD1-CG1 4.18Å; I99-A378 HydrophobicContact CD1-CB 3.82Å
100	I	97.5	Very high	98.4	Very high	44 Å²	44	17.5 Å²	17.5	23%	0.226	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-32.2	178.3	-75.7	-73.1	0	0	0	111.6	T96 R102 C105 I107	T96-I100 HydrophobicContact CG2-CG1 4.46Å; T96-I100 WeakPolarHBondContact O-CB 3.41Å; T96-I100 WeakPolarHBondContact O-CG1 3.37Å; T96-I100 PolarHBondContact O-N 2.62Å; T96-I100 VanDerWaalsContact O-N 3.1Å; I100-R102 PolarHBondContact O-N 3.19Å; I100-C105 WeakPolarHBondContact CD1-O 3.48Å; I100-I107 HydrophobicContact CD1-CG1 4.3Å; I100-I107 HydrophobicContact CG1-CG1 4.24Å
101	S	96.4	Very high	98.4	Very high	69 Å²	69	17.4 Å²	17.4	48%	0.483	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.2	175.9	71.7	0	0	0	0	114.5	A97 A98 I99	A97-S101 PolarHBondContact O-N 3.24Å; A98-S101 PolarHBondContact O-OG 2.64Å; I99-S101 PolarHBondContact O-N 3.03Å
102	R	96.8	Very high	98.4	Very high	33 Å²	33	17.5 Å²	17.5	13%	0.125	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-37.6	-172.6	-69.6	172.7	168.8	81	-6.5	113.5	A98 I99 I100 D371 A378 P389 I390 F393	A98-R102 WeakPolarHBondContact O-CG 3.3Å; A98-R102 PolarHBondContact O-NH1 3.24Å; I99-R102 PolarHBondContact O-N 3.39Å; I100-R102 PolarHBondContact O-N 3.19Å; R102-D371 IonicContact CZ-OD1 3.36Å; R102-D371 IonicContact NH1-OD1 3.34Å; R102-D371 PolarHBondContact NH1-OD1 3.08Å; R102-D371 PolarHBondContact NH2-O 3.27Å; R102-D371 IonicContact NH2-OD1 2.74Å; R102-D371 PolarHBondContact NH2-OD1 2.85Å; R102-A378 HydrophobicContact CB-CB 4.13Å; R102-P389 WeakPolarHBondContact O-CA 3.34Å; R102-I390 PolarHBondContact O-N 3.31Å; R102-F393 HydrophobicContact CB-CD1 4.48Å; R102-F393 HydrophobicContact CB-CD2 4.27Å; R102-F393 HydrophobicContact CB-CG 4.22Å; R102-F393 HydrophobicContact CG-CD2 3.94Å; R102-F393 HydrophobicContact CG-CE2 4.17Å; R102-F393 HydrophobicContact CG-CG 4.38Å
103	V	97.5	Very high	98.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-140.5	151.6	-177.6	-68.1	0	0	0	0	111	I99 C105 A378 L381 I382 A387 E388	I99-V103 HydrophobicContact CD1-CG2 3.78Å; I99-V103 HydrophobicContact CG1-CG2 3.95Å; I99-V103 PolarHBondContact O-N 3.28Å; I99-V103 VanDerWaalsContact O-N 3.14Å; V103-C105 HydrophobicContact CG2-CB 4.32Å; V103-C105 PolarHBondContact O-N 2.96Å; V103-C105 VanDerWaalsContact O-N 3.15Å; V103-A378 HydrophobicContact CG1-CB 3.75Å; V103-A378 HydrophobicContact CG2-CB 4.49Å; V103-L381 HydrophobicContact CG2-CD1 4.04Å; V103-I382 HydrophobicContact CG1-CD1 3.84Å; V103-I382 HydrophobicContact CG1-CG1 3.97Å; V103-A387 HydrophobicContact CB-CB 4.14Å; V103-E388 CarbonylContact C-O 3.54Å; V103-E388 VanDerWaalsContact CA-O 3.29Å; V103-E388 WeakPolarHBondContact CA-O 3.16Å
104	Q	98.1	Very high	98.3	Very high	74 Å²	74	18.8 Å²	18.8	35%	0.346	11%	0.105	S	C	.	.			trans	-75.4	103.5	172.3	-162	167.5	42.6	0	0	109.2	E75 E388 I390	E75-Q104 HydrophobicContact CB-CG 3.89Å; E75-Q104 PolarHBondContact OE2-NE2 2.99Å; Q104-E388 PolarHBondContact N-O 3.49Å; Q104-I390 HydrophobicContact CB-CD1 3.8Å; Q104-I390 HydrophobicContact CB-CG1 4.12Å; Q104-I390 HydrophobicContact CG-CD1 4.26Å
105	C	98.6	Very high	98.3	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.027	10%	0.103	C	C	.	.			trans	-146.8	167.4	178.9	65.3	0	0	0	0	111.3	E75 P77 L79 I100 V103	E75-C105 CarbonylContact O-C 3.59Å; E75-C105 WeakPolarHBondContact O-CA 3.49Å; E75-C105 PolarHBondContact O-N 3.05Å; P77-C105 HydrophobicContact CG-CB 4.46Å; P77-C105 WeakPolarHBondContact O-CA 3.42Å; P77-C105 WeakPolarHBondContact O-CB 3.29Å; L79-C105 HydrophobicContact CD1-CB 4.48Å; L79-C105 HydrophobicContact CG-CB 4.37Å; I100-C105 WeakPolarHBondContact CD1-O 3.48Å; V103-C105 HydrophobicContact CG2-CB 4.32Å; V103-C105 PolarHBondContact O-N 2.96Å; V103-C105 VanDerWaalsContact O-N 3.15Å
106	R	98.8	Very high	98.3	Very high	69 Å²	69	18.5 Å²	18.5	26%	0.26	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.9	168.7	-76.8	171.5	-75.9	-179.5	-1	109.7	S72 S74 E75 G76 P77 V78 L79	S72-R106 CarbonylContact O-C 3.03Å; S72-R106 WeakPolarHBondContact O-CA 3.34Å; S74-R106 WeakPolarHBondContact O-CD 3.4Å; E75-R106 PolarHBondContact O-N 3.43Å; G76-R106 VanDerWaalsContact O-CZ 3.26Å; G76-R106 PolarHBondContact O-NE 2.81Å; G76-R106 PolarHBondContact O-NH2 3.02Å; P77-R106 PolarHBondContact O-N 3.49Å; V78-R106 CarbonylContact C-O 3.55Å; V78-R106 WeakPolarHBondContact CA-O 3.4Å; V78-R106 HydrophobicContact CB-CB 4.44Å; V78-R106 HydrophobicContact CG2-CB 3.73Å; L79-R106 PolarHBondContact N-O 3.29Å
107	I	98.9	Very high	98.3	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.7	175.9	-58.3	-55.9	0	0	0	109.6	F50 K71 S72 L79 L81 T96 I99 I100 A109	F50-I107 HydrophobicContact CE1-CG2 4.23Å; K71-I107 VanDerWaalsContact CA-O 3.28Å; K71-I107 WeakPolarHBondContact CA-O 3.28Å; S72-I107 PolarHBondContact N-O 3Å; S72-I107 PolarHBondContact O-N 3.43Å; L79-I107 HydrophobicContact CB-CD1 3.76Å; L79-I107 HydrophobicContact CD1-CD1 3.75Å; L79-I107 HydrophobicContact CG-CD1 3.99Å; L81-I107 HydrophobicContact CD1-CG2 3.67Å; L81-I107 HydrophobicContact CG-CG2 4.27Å; T96-I107 HydrophobicContact CG2-CB 4.2Å; T96-I107 HydrophobicContact CG2-CG1 3.84Å; T96-I107 HydrophobicContact CG2-CG2 4.2Å; I99-I107 HydrophobicContact CG2-CD1 3.78Å; I99-I107 HydrophobicContact CG2-CG1 4.42Å; I100-I107 HydrophobicContact CD1-CG1 4.3Å; I100-I107 HydrophobicContact CG1-CG1 4.24Å; I107-A109 HydrophobicContact CG2-CB 4.47Å
108	V	98.9	Very high	98.3	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.024	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	102	162.6	178.3	0	0	0	0	107.1	V69 K71 V78 L79 L80 L81 M142 Y143	V69-V108 HydrophobicContact CB-CG1 4.02Å; V69-V108 HydrophobicContact CG1-CG1 3.91Å; K71-V108 HydrophobicContact CG-CG2 4.49Å; V78-V108 HydrophobicContact CG1-CB 4.08Å; V78-V108 HydrophobicContact CG1-CG2 3.65Å; L79-V108 PolarHBondContact O-N 3.33Å; L80-V108 CarbonylContact C-O 3.52Å; L80-V108 WeakPolarHBondContact CA-O 3.4Å; L80-V108 HydrophobicContact CD1-CB 3.97Å; L80-V108 HydrophobicContact CD1-CG1 3.69Å; L80-V108 WeakPolarHBondContact CD1-O 3.17Å; L81-V108 PolarHBondContact N-O 3.36Å; V108-M142 HydrophobicContact CG1-CE 4.25Å; V108-M142 HydrophobicContact CG1-SD 4.11Å; V108-M142 HydrophobicContact CG2-CE 4.11Å; V108-Y143 WeakPolarHBondContact CG2-OH 3.44Å
109	A	98.9	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.6	172.9	0	0	0	0	0	108.9	F50 V69 Y70 L81 A89 W92 I107	F50-A109 HydrophobicContact CE1-CB 3.93Å; F50-A109 HydrophobicContact CZ-CB 4.07Å; V69-A109 CarbonylContact C-O 3.55Å; V69-A109 VanDerWaalsContact CA-O 3.32Å; V69-A109 WeakPolarHBondContact CA-O 3.31Å; Y70-A109 PolarHBondContact N-O 3.07Å; Y70-A109 PolarHBondContact O-N 3.02Å; L81-A109 HydrophobicContact CB-CB 4.29Å; L81-A109 HydrophobicContact CD1-CB 4.31Å; A89-A109 HydrophobicContact CB-CB 3.78Å; A89-A109 WeakPolarHBondContact CB-O 3.21Å; W92-A109 HydrophobicContact CB-CB 4.32Å; I107-A109 HydrophobicContact CG2-CB 4.47Å
110	L	98.9	Very high	98.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129	-172.4	171.7	62.4	0	0	0	111	F67 V69 L80 L81 L82 H83 L112 V135 V138	F67-L110 HydrophobicContact CB-CD1 3.97Å; F67-L110 HydrophobicContact CD1-CD1 4.23Å; V69-L110 HydrophobicContact CG1-CB 4.41Å; V69-L110 HydrophobicContact CG1-CD1 3.76Å; L80-L110 HydrophobicContact CD1-CB 4.36Å; L81-L110 PolarHBondContact O-N 2.87Å; L81-L110 VanDerWaalsContact O-N 3.16Å; L82-L110 HydrophobicContact CD2-CB 4.26Å; L82-L110 HydrophobicContact CD2-CD2 4.05Å; H83-L110 PolarHBondContact CD2-O 3.46Å; H83-L110 VanDerWaalsContact CD2-O 3.25Å; L110-L112 HydrophobicContact CD2-CD2 4.1Å; L110-L112 HydrophobicContact CG-CD2 4.48Å; L110-L112 PolarHBondContact O-N 3.47Å; L110-V135 HydrophobicContact CD2-CG2 4.1Å; L110-V138 HydrophobicContact CD1-CG1 4.3Å; L110-V138 HydrophobicContact CD1-CG2 4.24Å
111	D	98.9	Very high	98.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.158	C	C	.	.			trans	-75.8	111.7	162.2	-77.7	-19	0	0	0	108.1	R68 S88 A89 G116 E117 T118	R68-D111 HydrophobicContact CB-CB 3.99Å; R68-D111 WeakPolarHBondContact CG-OD2 3.39Å; R68-D111 PolarHBondContact O-N 2.91Å; S88-D111 VanDerWaalsContact CB-OD1 3.24Å; S88-D111 WeakPolarHBondContact CB-OD1 3.26Å; A89-D111 WeakPolarHBondContact CB-OD1 3.33Å; A89-D111 PolarHBondContact N-OD1 2.85Å; D111-G116 WeakPolarHBondContact OD2-CA 3.37Å; D111-E117 PolarHBondContact OD2-N 2.96Å; D111-T118 WeakPolarHBondContact CB-OG1 3.39Å; D111-T118 PolarHBondContact O-OG1 3.43Å
112	L	98.9	Very high	98.1	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	15%	0.153	C	C	.	.			trans	-66.8	164.7	177.5	-69.2	168.5	0	0	0	111	L82 H83 L110 S114 H115 M131 V135 M157	L82-L112 HydrophobicContact CB-CD1 4.43Å; L82-L112 HydrophobicContact CD2-CD2 4.25Å; H83-L112 PolarHBondContact NE2-N 2.83Å; L110-L112 HydrophobicContact CD2-CD2 4.1Å; L110-L112 HydrophobicContact CG-CD2 4.48Å; L110-L112 PolarHBondContact O-N 3.47Å; L112-S114 PolarHBondContact O-N 3.07Å; L112-H115 WeakPolarHBondContact O-CB 3.35Å; L112-H115 PolarHBondContact O-N 3.26Å; L112-M131 HydrophobicContact CB-CE 3.86Å; L112-M131 HydrophobicContact CD1-CE 3.95Å; L112-M131 HydrophobicContact CG-CE 4.33Å; L112-V135 HydrophobicContact CD2-CG2 3.96Å; L112-M157 HydrophobicContact CD1-CE 3.63Å
113	R	98.3	Very high	98	Very high	7 Å²	7	34 Å²	34	3%	0.026	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.3	131.7	174.2	171.8	168.2	-61.3	-97	-8.3	111.9	D65 F67 H115 V120 N122 D125 D134	D65-R113 IonicContact OD2-CZ 2.59Å; D65-R113 IonicContact OD2-NH1 2.68Å; D65-R113 IonicContact OD2-NH2 3.82Å; D65-R113 PolarHBondContact OD2-NH2 2.98Å; F67-R113 HydrophobicContact CE1-CB 4.48Å; R113-H115 PolarHBondContact O-N 3.29Å; R113-H115 PolarHBondContact O-ND1 3.15Å; R113-V120 HydrophobicContact CG-CG1 4.25Å; R113-V120 HydrophobicContact CG-CG2 3.84Å; R113-V120 VanDerWaalsContact NH1-CB 3.29Å; R113-N122 PolarHBondContact NH1-O 2.97Å; R113-D125 WeakPolarHBondContact CD-O 3.44Å; R113-D134 IonicContact CZ-OD1 3.58Å; R113-D134 IonicContact CZ-OD2 3.57Å; R113-D134 IonicContact NE-OD1 2.66Å; R113-D134 IonicContact NE-OD2 3.08Å; R113-D134 PolarHBondContact NE-OD2 2.83Å; R113-D134 IonicContact NH2-OD1 3.18Å; R113-D134 PolarHBondContact NH2-OD1 3.45Å; R113-D134 IonicContact NH2-OD2 3.27Å; R113-D134 PolarHBondContact NH2-OD2 3.14Å
114	S	98.1	Very high	97.9	Very high	21 Å²	21	39.1 Å²	39.1	15%	0.147	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	11.8	178.5	-49.8	0	0	0	0	115.7	L112 P123	L112-S114 PolarHBondContact O-N 3.07Å; S114-P123 VanDerWaalsContact OG-C 3.28Å; S114-P123 WeakPolarHBondContact OG-CA 3.31Å; S114-P123 VanDerWaalsContact OG-CB 3.25Å; S114-P123 WeakPolarHBondContact OG-CB 3.35Å; S114-P123 PolarHBondContact OG-O 2.94Å
115	H	98.7	Very high	97.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.181	C	C	.	.	S	Bend	trans	-119.6	160.2	177.4	-65.2	79.2	0	0	0	111.3	H83 G86 H87 L112 R113 E117 T118	H83-H115 WeakPolarHBondContact CE1-CB 3.36Å; H83-H115 AromaticContact CE1-CD2 3.5Å; H83-H115 PolarHBondContact CE1-CD2 3.37Å; H83-H115 VanDerWaalsContact CE1-CD2 3.5Å; H83-H115 AromaticContact CE1-CG 3.38Å; G86-H115 PolarHBondContact N-CD2 3.44Å; G86-H115 PolarHBondContact N-NE2 2.8Å; H87-H115 WeakPolarHBondContact O-CB 3.49Å; H87-H115 PolarHBondContact O-CD2 3.42Å; H87-H115 VanDerWaalsContact O-CD2 3.24Å; L112-H115 WeakPolarHBondContact O-CB 3.35Å; L112-H115 PolarHBondContact O-N 3.26Å; R113-H115 PolarHBondContact O-N 3.29Å; R113-H115 PolarHBondContact O-ND1 3.15Å; H115-E117 PolarHBondContact O-N 3.31Å; H115-T118 PolarHBondContact O-N 3.02Å
116	G	98.1	Very high	97.8	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-125.3	-179.6	0	0	0	0	0	113.2	D111 R302	D111-G116 WeakPolarHBondContact OD2-CA 3.37Å; G116-R302 VanDerWaalsContact O-CD 3.27Å; G116-R302 WeakPolarHBondContact O-CD 3.24Å; G116-R302 PolarHBondContact O-NE 3.19Å; G116-R302 PolarHBondContact O-NH1 3.46Å
117	E	98.2	Very high	97.8	Very high	64 Å²	64	35.1 Å²	35.1	30%	0.299	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	6.9	-179.5	-64.9	-60.5	136.4	0	0	113.8	R68 D111 H115 K119 R302	R68-E117 HydrophobicContact CB-CB 4.17Å; R68-E117 HydrophobicContact CG-CB 4.25Å; D111-E117 PolarHBondContact OD2-N 2.96Å; H115-E117 PolarHBondContact O-N 3.31Å; E117-K119 PolarHBondContact O-N 3.05Å; E117-R302 IonicContact OE1-CZ 2.92Å; E117-R302 IonicContact OE1-NH1 3.82Å; E117-R302 PolarHBondContact OE1-NH1 2.86Å; E117-R302 IonicContact OE1-NH2 2.82Å; E117-R302 PolarHBondContact OE1-NH2 3.03Å
118	T	98.6	Very high	97.8	Very high	12 Å²	12	35 Å²	35	7%	0.074	18%	0.175	C	C	.	.			trans	-65	132	174.6	-76.8	0	0	0	0	110.8	T66 F67 R68 D111 H115 V120	T66-T118 CarbonylContact O-C 3.54Å; T66-T118 WeakPolarHBondContact O-CA 3.07Å; F67-T118 WeakPolarHBondContact CA-OG1 3.39Å; F67-T118 HydrophobicContact CD1-CG2 3.5Å; F67-T118 HydrophobicContact CE1-CG2 3.74Å; F67-T118 HydrophobicContact CG-CG2 4.16Å; R68-T118 PolarHBondContact N-OG1 3.45Å; D111-T118 WeakPolarHBondContact CB-OG1 3.39Å; D111-T118 PolarHBondContact O-OG1 3.43Å; H115-T118 PolarHBondContact O-N 3.02Å; T118-V120 HydrophobicContact CG2-CG1 3.89Å
119	K	97.9	Very high	97.7	Very high	145 Å²	145	40.8 Å²	40.8	63%	0.63	20%	0.202	S	C	*	.	B	Isolated β-bridge	trans	-119.9	117.1	-179.2	-63.3	178.2	-173.4	173.8	0	109	T66 E117	T66-K119 PolarHBondContact N-O 3.38Å; T66-K119 PolarHBondContact O-N 3.44Å; E117-K119 PolarHBondContact O-N 3.05Å
120	V	97.2	Very high	97.7	Very high	24 Å²	24	42.5 Å²	42.5	15%	0.145	21%	0.212	C	C	.	.			trans	-124.1	154.1	179.2	-63.3	0	0	0	0	110.5	D65 F67 R113 T118 P123	D65-V120 HydrophobicContact CB-CB 4.39Å; D65-V120 HydrophobicContact CB-CG1 4.02Å; D65-V120 VanDerWaalsContact OD1-CA 3.24Å; D65-V120 WeakPolarHBondContact OD1-CA 3.48Å; F67-V120 HydrophobicContact CE1-CG1 4.17Å; F67-V120 HydrophobicContact CE2-CG1 4.35Å; F67-V120 HydrophobicContact CZ-CG1 3.78Å; R113-V120 HydrophobicContact CG-CG1 4.25Å; R113-V120 HydrophobicContact CG-CG2 3.84Å; R113-V120 VanDerWaalsContact NH1-CB 3.29Å; T118-V120 HydrophobicContact CG2-CG1 3.89Å; V120-P123 HydrophobicContact CG2-CB 3.87Å
121	K	95.6	Very high	97.7	Very high	155 Å²	155	42.5 Å²	42.5	67%	0.674	21%	0.212	S	C	*	.	S	Bend	trans	-67.5	-40.3	177.8	-176.4	60.2	176.9	-178	0	112.4	D65 P123	D65-K121 PolarHBondContact OD1-N 3.29Å; K121-P123 VanDerWaalsContact O-CD 3.27Å; K121-P123 WeakPolarHBondContact O-CD 3.48Å
122	N	95.1	Very high	97.7	Very high	70 Å²	70	42.5 Å²	42.5	37%	0.374	21%	0.212	S	C	.	.			trans	-114.7	79.7	179.1	-176.3	18.9	0	0	0	111.7	R113 E124 D125	R113-N122 PolarHBondContact NH1-O 2.97Å; N122-E124 PolarHBondContact O-N 2.86Å; N122-D125 WeakPolarHBondContact ND2-CB 3.21Å
123	P	95.4	Very high	97.7	Very high	57 Å²	57	47.4 Å²	47.4	37%	0.37	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.4	-176.9	30.2	-36.3	0	0	0	114.4	S114 V120 K121 L126	S114-P123 VanDerWaalsContact OG-C 3.28Å; S114-P123 WeakPolarHBondContact OG-CA 3.31Å; S114-P123 VanDerWaalsContact OG-CB 3.25Å; S114-P123 WeakPolarHBondContact OG-CB 3.35Å; S114-P123 PolarHBondContact OG-O 2.94Å; V120-P123 HydrophobicContact CG2-CB 3.87Å; K121-P123 VanDerWaalsContact O-CD 3.27Å; K121-P123 WeakPolarHBondContact O-CD 3.48Å; P123-L126 WeakPolarHBondContact O-CD1 3.37Å
124	E	95.6	Very high	97.7	Very high	107 Å²	107	47.3 Å²	47.3	50%	0.5	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-21	-175.9	-69.1	-65	133.8	0	0	113.4	N122 L126 Y311	N122-E124 PolarHBondContact O-N 2.86Å; E124-L126 PolarHBondContact O-N 3.15Å; E124-Y311 VanDerWaalsContact O-CE2 3.26Å; E124-Y311 WeakPolarHBondContact O-CE2 3.32Å; E124-Y311 PolarHBondContact O-OH 2.87Å; E124-Y311 VanDerWaalsContact O-OH 3.13Å
125	D	96.9	Very high	97.7	Very high	37 Å²	37	46.4 Å²	46.4	20%	0.198	23%	0.227	C	C	.	.			trans	-84.9	98.2	177.1	-179.8	18	0	0	0	111	R113 N122 S127 T130	R113-D125 WeakPolarHBondContact CD-O 3.44Å; N122-D125 WeakPolarHBondContact ND2-CB 3.21Å; D125-S127 VanDerWaalsContact OD1-CB 3.32Å; D125-S127 WeakPolarHBondContact OD1-CB 3.29Å; D125-S127 PolarHBondContact OD1-N 3.2Å; D125-S127 VanDerWaalsContact OD1-N 3.08Å; D125-S127 PolarHBondContact OD1-OG 3.09Å; D125-T130 WeakPolarHBondContact OD2-CB 3.24Å; D125-T130 PolarHBondContact OD2-OG1 2.78Å
126	L	98.1	Very high	97.7	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	23%	0.23	C	C	.	.			trans	-111.1	36	172.3	-65.4	104.8	0	0	0	111.5	P123 E124 M131 I303 T308 Y311 W315	P123-L126 WeakPolarHBondContact O-CD1 3.37Å; E124-L126 PolarHBondContact O-N 3.15Å; L126-M131 HydrophobicContact CB-SD 3.86Å; L126-M131 HydrophobicContact CD2-CE 4.32Å; L126-M131 HydrophobicContact CD2-SD 4.12Å; L126-M131 HydrophobicContact CG-SD 4.38Å; L126-I303 HydrophobicContact CD1-CD1 4.5Å; L126-I303 HydrophobicContact CD2-CD1 4.09Å; L126-T308 HydrophobicContact CD1-CG2 3.86Å; L126-T308 HydrophobicContact CD2-CG2 4.39Å; L126-Y311 HydrophobicContact CB-CD2 3.98Å; L126-Y311 HydrophobicContact CB-CE2 4.32Å; L126-Y311 WeakPolarHBondContact O-CB 3.22Å; L126-W315 HydrophobicContact CB-CZ2 4.08Å; L126-W315 WeakPolarHBondContact O-CZ2 3.08Å; L126-W315 PolarHBondContact O-NE1 3.25Å
127	S	98.4	Very high	97.7	Very high	20 Å²	20	47.5 Å²	47.5	14%	0.14	23%	0.234	C	C	.	.			trans	-62	153.9	170.7	59.9	0	0	0	0	111.8	D125 E129 T130 M131	D125-S127 VanDerWaalsContact OD1-CB 3.32Å; D125-S127 WeakPolarHBondContact OD1-CB 3.29Å; D125-S127 PolarHBondContact OD1-N 3.2Å; D125-S127 VanDerWaalsContact OD1-N 3.08Å; D125-S127 PolarHBondContact OD1-OG 3.09Å; S127-E129 WeakPolarHBondContact CB-OE2 3.39Å; S127-E129 PolarHBondContact O-N 3.14Å; S127-T130 PolarHBondContact O-N 2.95Å; S127-T130 WeakPolarHBondContact OG-CB 3.3Å; S127-T130 PolarHBondContact OG-N 2.82Å; S127-T130 PolarHBondContact OG-OG1 2.91Å; S127-T130 VanDerWaalsContact OG-OG1 3.06Å; S127-M131 WeakPolarHBondContact O-CB 3.23Å; S127-M131 WeakPolarHBondContact O-CG 3.4Å; S127-M131 PolarHBondContact O-N 2.79Å
128	A	98.5	Very high	97.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-38.6	-179.9	0	0	0	0	0	111.3	A132 I161	A128-A132 WeakPolarHBondContact O-CB 3.49Å; A128-A132 PolarHBondContact O-N 3.48Å; A128-I161 HydrophobicContact CB-CD1 4.31Å
129	E	98.2	Very high	97.8	Very high	125 Å²	125	44.2 Å²	44.2	58%	0.584	22%	0.218	S	C	*	.	H	α-helix	trans	-65.2	-51.8	-178.5	-61.4	75	-167.4	0	0	111.1	S127 A132 K133	S127-E129 WeakPolarHBondContact CB-OE2 3.39Å; S127-E129 PolarHBondContact O-N 3.14Å; E129-A132 PolarHBondContact O-N 2.89Å; E129-K133 VanDerWaalsContact O-CB 3.31Å; E129-K133 WeakPolarHBondContact O-CB 3.2Å; E129-K133 PolarHBondContact O-N 2.96Å
130	T	98.3	Very high	97.8	Very high	35 Å²	35	43.5 Å²	43.5	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-46.4	178.7	-65.6	0	0	0	0	110.9	D125 S127 A132 K133 D134	D125-T130 WeakPolarHBondContact OD2-CB 3.24Å; D125-T130 PolarHBondContact OD2-OG1 2.78Å; S127-T130 PolarHBondContact O-N 2.95Å; S127-T130 WeakPolarHBondContact OG-CB 3.3Å; S127-T130 PolarHBondContact OG-N 2.82Å; S127-T130 PolarHBondContact OG-OG1 2.91Å; S127-T130 VanDerWaalsContact OG-OG1 3.06Å; T130-A132 PolarHBondContact O-N 2.86Å; T130-K133 WeakPolarHBondContact O-CB 3.32Å; T130-K133 PolarHBondContact O-N 3.01Å; T130-D134 VanDerWaalsContact O-CG 3.29Å; T130-D134 PolarHBondContact O-N 2.89Å
131	M	98.7	Very high	97.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-36.8	-179.5	-65.9	-176.3	76.1	0	0	112.6	L112 L126 S127 D134 V135 M157 I161 W315	L112-M131 HydrophobicContact CB-CE 3.86Å; L112-M131 HydrophobicContact CD1-CE 3.95Å; L112-M131 HydrophobicContact CG-CE 4.33Å; L126-M131 HydrophobicContact CB-SD 3.86Å; L126-M131 HydrophobicContact CD2-CE 4.32Å; L126-M131 HydrophobicContact CD2-SD 4.12Å; L126-M131 HydrophobicContact CG-SD 4.38Å; S127-M131 WeakPolarHBondContact O-CB 3.23Å; S127-M131 WeakPolarHBondContact O-CG 3.4Å; S127-M131 PolarHBondContact O-N 2.79Å; M131-D134 PolarHBondContact O-N 2.92Å; M131-V135 WeakPolarHBondContact O-CG2 2.98Å; M131-V135 PolarHBondContact O-N 3.18Å; M131-M157 HydrophobicContact CE-CE 3.75Å; M131-M157 HydrophobicContact CE-SD 3.88Å; M131-M157 HydrophobicContact SD-SD 4.41Å; M131-I161 HydrophobicContact CB-CD1 3.74Å; M131-I161 HydrophobicContact CB-CG1 3.98Å; M131-I161 HydrophobicContact CB-CG2 4.06Å; M131-I161 HydrophobicContact CE-CG1 4.28Å; M131-I161 HydrophobicContact SD-CD1 4.18Å; M131-I161 HydrophobicContact SD-CG1 4.33Å; M131-W315 HydrophobicContact SD-CZ2 4.49Å
132	A	98.8	Very high	97.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-38.6	173.7	0	0	0	0	0	111.6	A128 E129 T130 V135 G136 I161 H164 T165 L170	A128-A132 WeakPolarHBondContact O-CB 3.49Å; A128-A132 PolarHBondContact O-N 3.48Å; E129-A132 PolarHBondContact O-N 2.89Å; T130-A132 PolarHBondContact O-N 2.86Å; A132-V135 WeakPolarHBondContact O-CB 3.44Å; A132-V135 PolarHBondContact O-N 3.09Å; A132-G136 PolarHBondContact O-N 2.78Å; A132-G136 VanDerWaalsContact O-N 3.15Å; A132-I161 HydrophobicContact CB-CG2 4.39Å; A132-H164 HydrophobicContact CB-CB 3.91Å; A132-T165 WeakPolarHBondContact CA-OG1 3.21Å; A132-L170 HydrophobicContact CB-CD1 4.11Å; A132-L170 VanDerWaalsContact O-CD1 3.24Å; A132-L170 WeakPolarHBondContact O-CD1 3.44Å
133	K	98.4	Very high	98.1	Very high	106 Å²	106	39 Å²	39	46%	0.461	20%	0.202	S	C	.	.	H	α-helix	trans	-63.2	-41.9	174.8	-172.2	63.4	179.8	169.8	0	111.7	E129 T130 V135 G136 N137 L170	E129-K133 VanDerWaalsContact O-CB 3.31Å; E129-K133 WeakPolarHBondContact O-CB 3.2Å; E129-K133 PolarHBondContact O-N 2.96Å; T130-K133 WeakPolarHBondContact O-CB 3.32Å; T130-K133 PolarHBondContact O-N 3.01Å; K133-V135 VanDerWaalsContact C-N 3.29Å; K133-V135 PolarHBondContact O-N 3.42Å; K133-G136 PolarHBondContact O-N 3.34Å; K133-N137 VanDerWaalsContact CE-OD1 3.25Å; K133-N137 WeakPolarHBondContact CE-OD1 3.49Å; K133-N137 WeakPolarHBondContact O-CB 3.44Å; K133-N137 PolarHBondContact O-N 3.04Å; K133-N137 PolarHBondContact O-OD1 3.45Å; K133-L170 HydrophobicContact CD-CD2 4.48Å
134	D	98.6	Very high	98.1	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.027	20%	0.204	C	C	.	.	H	α-helix	trans	-56	-44.4	173.8	-71	-28.8	0	0	0	111	F67 R113 T130 M131 G136 N137 V138	F67-D134 HydrophobicContact CE1-CB 3.79Å; F67-D134 HydrophobicContact CZ-CB 3.67Å; F67-D134 WeakPolarHBondContact CZ-OD1 3.24Å; R113-D134 IonicContact CZ-OD1 3.58Å; R113-D134 IonicContact CZ-OD2 3.57Å; R113-D134 IonicContact NE-OD1 2.66Å; R113-D134 IonicContact NE-OD2 3.08Å; R113-D134 PolarHBondContact NE-OD2 2.83Å; R113-D134 IonicContact NH2-OD1 3.18Å; R113-D134 PolarHBondContact NH2-OD1 3.45Å; R113-D134 IonicContact NH2-OD2 3.27Å; R113-D134 PolarHBondContact NH2-OD2 3.14Å; T130-D134 VanDerWaalsContact O-CG 3.29Å; T130-D134 PolarHBondContact O-N 2.89Å; M131-D134 PolarHBondContact O-N 2.92Å; D134-G136 PolarHBondContact O-N 3.46Å; D134-N137 PolarHBondContact O-N 2.78Å; D134-V138 VanDerWaalsContact O-CG2 3.31Å; D134-V138 WeakPolarHBondContact O-CG2 3.37Å; D134-V138 PolarHBondContact O-N 3.14Å
135	V	98.8	Very high	98.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-46.8	177.4	177.1	0	0	0	0	111.6	L80 L82 L110 L112 M131 A132 K133 V138 V139 L152 I161 T165	L80-V135 HydrophobicContact CD2-CG1 3.85Å; L82-V135 HydrophobicContact CD1-CG2 3.95Å; L82-V135 HydrophobicContact CD2-CG2 4.05Å; L110-V135 HydrophobicContact CD2-CG2 4.1Å; L112-V135 HydrophobicContact CD2-CG2 3.96Å; M131-V135 WeakPolarHBondContact O-CG2 2.98Å; M131-V135 PolarHBondContact O-N 3.18Å; A132-V135 WeakPolarHBondContact O-CB 3.44Å; A132-V135 PolarHBondContact O-N 3.09Å; K133-V135 VanDerWaalsContact C-N 3.29Å; K133-V135 PolarHBondContact O-N 3.42Å; V135-V138 PolarHBondContact O-N 3.48Å; V135-V139 WeakPolarHBondContact O-CG2 3.5Å; V135-V139 PolarHBondContact O-N 3.39Å; V135-V139 VanDerWaalsContact O-N 3.14Å; V135-L152 HydrophobicContact CG1-CD2 4.28Å; V135-I161 HydrophobicContact CG2-CG2 3.98Å; V135-T165 HydrophobicContact CB-CG2 4.07Å; V135-T165 HydrophobicContact CG1-CG2 3.74Å
136	G	98.6	Very high	98.1	Very high	6 Å²	6	46.5 Å²	46.5	6%	0.062	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-45.6	176.3	0	0	0	0	0	112.6	A132 K133 D134 V138 V139 E140	A132-G136 PolarHBondContact O-N 2.78Å; A132-G136 VanDerWaalsContact O-N 3.15Å; K133-G136 PolarHBondContact O-N 3.34Å; D134-G136 PolarHBondContact O-N 3.46Å; G136-V138 VanDerWaalsContact C-N 3.33Å; G136-V138 PolarHBondContact O-N 3.03Å; G136-V139 PolarHBondContact O-N 3.45Å; G136-E140 PolarHBondContact O-N 3.11Å
137	N	98.5	Very high	98	Very high	20 Å²	20	47.9 Å²	47.9	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-35.9	179.7	-64.7	-7.9	0	0	0	112.1	V58 K133 D134 E140 A141	V58-N137 HydrophobicContact CG1-CB 3.57Å; V58-N137 HydrophobicContact CG2-CB 4.4Å; K133-N137 VanDerWaalsContact CE-OD1 3.25Å; K133-N137 WeakPolarHBondContact CE-OD1 3.49Å; K133-N137 WeakPolarHBondContact O-CB 3.44Å; K133-N137 PolarHBondContact O-N 3.04Å; K133-N137 PolarHBondContact O-OD1 3.45Å; D134-N137 PolarHBondContact O-N 2.78Å; N137-E140 PolarHBondContact O-N 3.45Å; N137-A141 VanDerWaalsContact O-CB 3.3Å; N137-A141 WeakPolarHBondContact O-CB 3.38Å; N137-A141 PolarHBondContact O-N 2.74Å
138	V	98.8	Very high	98	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-42.8	173.6	168.7	0	0	0	0	110.8	V56 V58 F67 V69 L110 D134 V135 G136 A141 M142	V56-V138 HydrophobicContact CG1-CG1 4.48Å; V58-V138 HydrophobicContact CG2-CG2 4.09Å; F67-V138 HydrophobicContact CB-CG2 3.64Å; F67-V138 HydrophobicContact CD1-CG2 4.13Å; F67-V138 HydrophobicContact CD2-CG2 3.82Å; F67-V138 HydrophobicContact CG-CG2 3.58Å; V69-V138 HydrophobicContact CG1-CG1 4.24Å; L110-V138 HydrophobicContact CD1-CG1 4.3Å; L110-V138 HydrophobicContact CD1-CG2 4.24Å; D134-V138 VanDerWaalsContact O-CG2 3.31Å; D134-V138 WeakPolarHBondContact O-CG2 3.37Å; D134-V138 PolarHBondContact O-N 3.14Å; V135-V138 PolarHBondContact O-N 3.48Å; G136-V138 VanDerWaalsContact C-N 3.33Å; G136-V138 PolarHBondContact O-N 3.03Å; V138-A141 PolarHBondContact O-N 3.34Å; V138-M142 HydrophobicContact CG1-CG 4.34Å; V138-M142 HydrophobicContact CG1-SD 3.89Å; V138-M142 WeakPolarHBondContact O-CB 3.24Å; V138-M142 VanDerWaalsContact O-CG 3.25Å; V138-M142 WeakPolarHBondContact O-CG 3.41Å; V138-M142 PolarHBondContact O-N 3.4Å
139	V	98.6	Very high	98	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.036	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-44.6	176.2	170.3	0	0	0	0	111.1	L80 V135 G136 M142 Y143 P147 I150 V171	L80-V139 HydrophobicContact CD2-CG2 3.65Å; V135-V139 WeakPolarHBondContact O-CG2 3.5Å; V135-V139 PolarHBondContact O-N 3.39Å; V135-V139 VanDerWaalsContact O-N 3.14Å; G136-V139 PolarHBondContact O-N 3.45Å; V139-M142 PolarHBondContact O-N 3.49Å; V139-Y143 HydrophobicContact CG1-CD2 4.22Å; V139-Y143 WeakPolarHBondContact O-CD2 3.49Å; V139-Y143 PolarHBondContact O-N 2.93Å; V139-Y143 VanDerWaalsContact O-N 3.09Å; V139-P147 HydrophobicContact CG1-CB 4.35Å; V139-I150 HydrophobicContact CG1-CD1 3.81Å; V139-I150 HydrophobicContact CG2-CD1 4.24Å; V139-V171 HydrophobicContact CG1-CG1 4.44Å; V139-V171 HydrophobicContact CG2-CG2 4.13Å
140	E	98.3	Very high	98.1	Very high	130 Å²	130	44.8 Å²	44.8	61%	0.607	25%	0.25	S	S	*	.	H	α-helix	trans	-61.1	-46.4	175.7	-177	174.4	-148.5	0	0	111.8	G136 N137 M142 Y143 G144	G136-E140 PolarHBondContact O-N 3.11Å; N137-E140 PolarHBondContact O-N 3.45Å; E140-M142 VanDerWaalsContact C-N 3.33Å; E140-M142 PolarHBondContact O-N 2.97Å; E140-Y143 PolarHBondContact O-N 3.34Å; E140-G144 VanDerWaalsContact O-CA 3.23Å; E140-G144 WeakPolarHBondContact O-CA 3.22Å; E140-G144 PolarHBondContact O-N 3.18Å
141	A	98.2	Very high	98.1	Very high	54 Å²	54	43.1 Å²	43.1	45%	0.446	24%	0.24	S	C	.	.	H	α-helix	trans	-64.6	-35.3	179.2	0	0	0	0	0	113	V56 V58 N137 V138	V56-A141 HydrophobicContact CG1-CB 3.57Å; V58-A141 HydrophobicContact CG2-CB 4.19Å; N137-A141 VanDerWaalsContact O-CB 3.3Å; N137-A141 WeakPolarHBondContact O-CB 3.38Å; N137-A141 PolarHBondContact O-N 2.74Å; V138-A141 PolarHBondContact O-N 3.34Å
142	M	98.1	Very high	98.1	Very high	39 Å²	39	43 Å²	43	19%	0.192	24%	0.24	C	C	.	.	H	α-helix	trans	-77.4	-33.7	-179.4	-72	-177.4	75.1	0	0	113.7	V56 V69 K71 V108 V138 V139 E140	V56-M142 HydrophobicContact CG1-CG 4.02Å; V56-M142 HydrophobicContact CG2-CG 3.74Å; V56-M142 HydrophobicContact CG2-SD 4.07Å; V69-M142 HydrophobicContact CG1-SD 4.29Å; V69-M142 HydrophobicContact CG2-CE 4.16Å; V69-M142 HydrophobicContact CG2-SD 4.36Å; K71-M142 HydrophobicContact CD-CE 3.85Å; V108-M142 HydrophobicContact CG1-CE 4.25Å; V108-M142 HydrophobicContact CG1-SD 4.11Å; V108-M142 HydrophobicContact CG2-CE 4.11Å; V138-M142 HydrophobicContact CG1-CG 4.34Å; V138-M142 HydrophobicContact CG1-SD 3.89Å; V138-M142 WeakPolarHBondContact O-CB 3.24Å; V138-M142 VanDerWaalsContact O-CG 3.25Å; V138-M142 WeakPolarHBondContact O-CG 3.41Å; V138-M142 PolarHBondContact O-N 3.4Å; V139-M142 PolarHBondContact O-N 3.49Å; E140-M142 VanDerWaalsContact C-N 3.33Å; E140-M142 PolarHBondContact O-N 2.97Å
143	Y	97.9	Very high	98.1	Very high	62 Å²	62	43 Å²	43	24%	0.243	24%	0.24	C	C	.	.	H	α-helix	trans	-129.7	-10.6	-167.3	-52.7	-66.7	0	0	0	115.3	V108 V139 E140 D145 L146 P148	V108-Y143 WeakPolarHBondContact CG2-OH 3.44Å; V139-Y143 HydrophobicContact CG1-CD2 4.22Å; V139-Y143 WeakPolarHBondContact O-CD2 3.49Å; V139-Y143 PolarHBondContact O-N 2.93Å; V139-Y143 VanDerWaalsContact O-N 3.09Å; E140-Y143 PolarHBondContact O-N 3.34Å; Y143-D145 PolarHBondContact O-N 2.97Å; Y143-L146 PolarHBondContact O-N 2.97Å; Y143-P148 HydrophobicContact CD1-CG 4.23Å; Y143-P148 HydrophobicContact CD2-CG 4.47Å; Y143-P148 HydrophobicContact CE1-CG 4.05Å; Y143-P148 HydrophobicContact CE2-CG 4.31Å; Y143-P148 HydrophobicContact CG-CG 4.43Å
144	G	95.9	Very high	98.1	Very high	39 Å²	39	38 Å²	38	40%	0.402	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-130.7	-176.8	0	0	0	0	0	112.3	E140 L146	E140-G144 VanDerWaalsContact O-CA 3.23Å; E140-G144 WeakPolarHBondContact O-CA 3.22Å; E140-G144 PolarHBondContact O-N 3.18Å; G144-L146 PolarHBondContact O-N 3.31Å
145	D	95	Very high	98.1	Very high	165 Å²	165	37.7 Å²	37.7	88%	0.882	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.4	-176.7	-59	-49.6	0	0	0	114.6	Y143 P147	Y143-D145 PolarHBondContact O-N 2.97Å; D145-P147 VanDerWaalsContact O-CD 3.31Å; D145-P147 WeakPolarHBondContact O-CD 3.25Å
146	L	96.4	Very high	97.9	Very high	154 Å²	154	38.3 Å²	38.3	81%	0.806	22%	0.221	S	C	*	.			trans	-121.1	57.5	-176.5	-66.3	176.1	0	0	0	112.2	Y143 G144	Y143-L146 PolarHBondContact O-N 2.97Å; G144-L146 PolarHBondContact O-N 3.31Å
147	P	97.4	Very high	97.8	Very high	34 Å²	34	38.1 Å²	38.1	22%	0.221	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-66.6	132.4	179	30.9	-35.6	0	0	0	110.4	V139 D145 S173	V139-P147 HydrophobicContact CG1-CB 4.35Å; D145-P147 VanDerWaalsContact O-CD 3.31Å; D145-P147 WeakPolarHBondContact O-CD 3.25Å; P147-S173 WeakPolarHBondContact CB-OG 3.34Å
148	P	98.4	Very high	97.8	Very high	14 Å²	14	37.1 Å²	37.1	9%	0.091	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-65.6	166.5	174.1	30.2	-35.2	0	0	0	110.2	V78 Y143 I150 S173	V78-P148 HydrophobicContact CB-CG 4.32Å; V78-P148 HydrophobicContact CG2-CB 4.16Å; V78-P148 HydrophobicContact CG2-CG 3.52Å; Y143-P148 HydrophobicContact CD1-CG 4.23Å; Y143-P148 HydrophobicContact CD2-CG 4.47Å; Y143-P148 HydrophobicContact CE1-CG 4.05Å; Y143-P148 HydrophobicContact CE2-CG 4.31Å; Y143-P148 HydrophobicContact CG-CG 4.43Å; P148-I150 WeakPolarHBondContact O-CG1 3.23Å; P148-I150 PolarHBondContact O-N 2.81Å; P148-S173 WeakPolarHBondContact O-CB 3.43Å; P148-S173 PolarHBondContact O-OG 3.42Å
149	P	98.8	Very high	97.8	Very high	66 Å²	66	37.1 Å²	37.1	43%	0.429	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-60	126.3	172.1	-15.6	27.9	0	0	0	110.3	P77 V78 L175	P77-P149 CarbonylContact C-O 3.58Å; P77-P149 WeakPolarHBondContact CA-O 3.18Å; P77-P149 HydrophobicContact CB-CB 4.46Å; V78-P149 PolarHBondContact N-O 2.81Å; P149-L175 HydrophobicContact CB-CD2 3.43Å; P149-L175 VanDerWaalsContact CB-CD2 3.43Å; P149-L175 HydrophobicContact CB-CG 4.28Å
150	I	98.9	Very high	97.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.5	-173.6	-73	158.3	0	0	0	111	V78 L80 V139 P148 V171 S173 L174 L175	V78-I150 HydrophobicContact CB-CG1 3.9Å; V78-I150 HydrophobicContact CG1-CG1 4.21Å; V78-I150 CarbonylContact O-C 3.52Å; V78-I150 VanDerWaalsContact O-CA 3.29Å; V78-I150 WeakPolarHBondContact O-CA 3.34Å; L80-I150 HydrophobicContact CB-CG2 3.92Å; L80-I150 HydrophobicContact CD2-CG2 4.4Å; V139-I150 HydrophobicContact CG1-CD1 3.81Å; V139-I150 HydrophobicContact CG2-CD1 4.24Å; P148-I150 WeakPolarHBondContact O-CG1 3.23Å; P148-I150 PolarHBondContact O-N 2.81Å; I150-V171 HydrophobicContact CB-CG1 3.95Å; I150-V171 HydrophobicContact CD1-CG1 3.72Å; I150-V171 HydrophobicContact CG1-CG1 4.44Å; I150-V171 HydrophobicContact CG2-CG1 3.96Å; I150-S173 PolarHBondContact N-O 3.16Å; I150-L174 HydrophobicContact CG2-CD1 4.26Å; I150-L174 CarbonylContact O-C 3.6Å; I150-L174 WeakPolarHBondContact O-CA 3.39Å; I150-L175 WeakPolarHBondContact O-CG 3.43Å; I150-L175 PolarHBondContact O-N 2.73Å
151	M	98.9	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.7	163	-178.2	172.9	173.1	0	0	109.2	V78 L79 L80 I153 L175 G176 C178 F380 L381	V78-M151 PolarHBondContact O-N 3.39Å; L79-M151 WeakPolarHBondContact CA-O 3.38Å; L79-M151 HydrophobicContact CD2-CB 3.78Å; L79-M151 HydrophobicContact CD2-CG 4.4Å; L79-M151 HydrophobicContact CD2-SD 4.26Å; L80-M151 PolarHBondContact N-O 2.87Å; M151-I153 HydrophobicContact CE-CD1 4.37Å; M151-I153 HydrophobicContact CE-CG1 4.26Å; M151-I153 HydrophobicContact CG-CG1 4.2Å; M151-L175 HydrophobicContact CB-CD1 3.84Å; M151-G176 WeakPolarHBondContact CA-O 3.35Å; M151-C178 HydrophobicContact CE-CB 3.65Å; M151-F380 HydrophobicContact CE-CD1 3.57Å; M151-F380 HydrophobicContact CE-CE1 3.58Å; M151-F380 HydrophobicContact SD-CD1 3.96Å; M151-F380 HydrophobicContact SD-CE1 3.97Å; M151-L381 HydrophobicContact SD-CD2 3.6Å; M151-L381 VanDerWaalsContact SD-CD2 3.6Å; M151-L381 HydrophobicContact SD-CG 4.24Å
152	L	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.1	173	-81.8	168.3	0	0	0	110.2	L80 L82 V135 A162 T165 A166 L174 G176 L177 C178	L80-L152 HydrophobicContact CB-CD2 4.05Å; L80-L152 HydrophobicContact CD2-CD2 3.69Å; L80-L152 HydrophobicContact CG-CD2 3.82Å; L82-L152 HydrophobicContact CD1-CD2 4.16Å; L82-L152 HydrophobicContact CG-CD2 4.41Å; V135-L152 HydrophobicContact CG1-CD2 4.28Å; L152-A162 HydrophobicContact CB-CB 4.19Å; L152-T165 HydrophobicContact CD1-CG2 3.96Å; L152-A166 HydrophobicContact CD1-CB 4.41Å; L152-L174 HydrophobicContact CB-CD1 3.97Å; L152-L174 HydrophobicContact CD1-CD1 3.71Å; L152-L174 HydrophobicContact CD1-CD2 4Å; L152-L174 HydrophobicContact CG-CD1 3.65Å; L152-G176 PolarHBondContact N-O 2.61Å; L152-L177 HydrophobicContact CB-CD1 3.89Å; L152-L177 CarbonylContact O-C 3.57Å; L152-L177 WeakPolarHBondContact O-CA 3.32Å; L152-C178 PolarHBondContact O-N 2.93Å
153	I	98.9	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	116.7	175.4	-50.5	-174.1	0	0	0	108.3	L79 L80 L81 L82 W92 F95 M151 C178 I180 V377	L79-I153 HydrophobicContact CB-CD1 4.22Å; L79-I153 HydrophobicContact CD1-CD1 4.26Å; L79-I153 HydrophobicContact CD2-CD1 4.39Å; L80-I153 PolarHBondContact O-N 3.33Å; L81-I153 CarbonylContact C-O 3.6Å; L81-I153 WeakPolarHBondContact CA-O 3.22Å; L81-I153 HydrophobicContact CD2-CB 3.79Å; L81-I153 HydrophobicContact CD2-CD1 3.89Å; L81-I153 HydrophobicContact CD2-CG1 4.08Å; L81-I153 HydrophobicContact CD2-CG2 4.46Å; L82-I153 PolarHBondContact N-O 3.07Å; W92-I153 HydrophobicContact CH2-CG2 3.79Å; W92-I153 HydrophobicContact CZ3-CG2 4.15Å; F95-I153 HydrophobicContact CZ-CD1 4.31Å; M151-I153 HydrophobicContact CE-CD1 4.37Å; M151-I153 HydrophobicContact CE-CG1 4.26Å; M151-I153 HydrophobicContact CG-CG1 4.2Å; I153-C178 WeakPolarHBondContact CA-O 3.44Å; I153-C178 HydrophobicContact CB-CB 4.26Å; I153-C178 HydrophobicContact CG1-CB 4.04Å; I153-C178 HydrophobicContact CG2-CB 3.99Å; I153-I180 HydrophobicContact CG2-CD1 4.05Å; I153-I180 HydrophobicContact CG2-CG1 4.39Å; I153-V377 HydrophobicContact CD1-CG1 3.79Å; I153-V377 HydrophobicContact CD1-CG2 4.13Å
154	G	98.7	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.7	-175.7	0	0	0	0	0	113.6	L82 G158 G159 C178 I180	L82-G154 WeakPolarHBondContact O-CA 3.09Å; G154-G158 WeakPolarHBondContact CA-O 3.44Å; G154-G159 VanDerWaalsContact C-N 3.32Å; G154-G159 WeakPolarHBondContact O-CA 3.47Å; G154-C178 PolarHBondContact N-O 3.45Å; G154-I180 PolarHBondContact O-N 3.25Å
155	H	97.8	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.2	173.4	167.6	-107.6	0	0	0	111.5	L82 H83 G84 W92 M157 G158 G159 I180 H363 H366	L82-H155 PolarHBondContact O-N 3.47Å; H83-H155 CarbonylContact C-O 3.54Å; G84-H155 VanDerWaalsContact CA-O 3.28Å; G84-H155 WeakPolarHBondContact CA-O 3.48Å; G84-H155 PolarHBondContact N-O 2.89Å; W92-H155 HydrophobicContact CH2-CB 4.36Å; W92-H155 HydrophobicContact CZ2-CB 4.04Å; H155-M157 PolarHBondContact O-N 3.19Å; H155-G158 WeakPolarHBondContact O-CA 3.23Å; H155-G158 PolarHBondContact O-N 3.2Å; H155-G159 PolarHBondContact O-N 2.82Å; H155-I180 HydrophobicContact CB-CB 4.35Å; H155-I180 PolarHBondContact CD2-O 3.01Å; H155-H363 AromaticContact CE1-CD2 3.84Å; H155-H363 AromaticContact CE1-NE2 3.69Å; H155-H363 AromaticContact NE2-CE1 3.95Å; H155-H363 AromaticContact NE2-NE2 3.88Å; H155-H363 PolarHBondContact NE2-O 3.1Å; H155-H366 AromaticContact CD2-CE1 3.95Å; H155-H366 AromaticContact CD2-ND1 3.88Å; H155-H366 AromaticContact CG-CE1 3.36Å; H155-H366 AromaticContact CG-ND1 3.63Å; H155-H366 AromaticContact ND1-CE1 3.47Å; H155-H366 PolarHBondContact ND1-CE1 2.8Å
156	S	94.8	Very high	98.3	Very high	14 Å²	14	15.4 Å²	15.4	10%	0.098	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-125.4	174.8	-168.5	0	0	0	0	111.9	G158 G159 A160 I180 V182 H363	S156-G158 VanDerWaalsContact C-N 3.28Å; S156-G158 PolarHBondContact O-N 2.6Å; S156-G159 WeakPolarHBondContact O-CA 3.41Å; S156-G159 PolarHBondContact O-N 2.68Å; S156-A160 PolarHBondContact O-N 3.43Å; S156-I180 PolarHBondContact N-O 3.4Å; S156-V182 VanDerWaalsContact O-CG2 3.3Å; S156-V182 WeakPolarHBondContact O-CG2 3.45Å; S156-H363 PolarHBondContact OG-NE2 3.04Å
157	M	97.4	Very high	98.4	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-44.4	-49.6	169.6	-179.7	-165.7	73.8	0	0	112.8	L112 M131 H155 G159 A160 I161 W315	L112-M157 HydrophobicContact CD1-CE 3.63Å; M131-M157 HydrophobicContact CE-CE 3.75Å; M131-M157 HydrophobicContact CE-SD 3.88Å; M131-M157 HydrophobicContact SD-SD 4.41Å; H155-M157 PolarHBondContact O-N 3.19Å; M157-G159 PolarHBondContact O-N 3.47Å; M157-A160 WeakPolarHBondContact O-CB 3.46Å; M157-A160 PolarHBondContact O-N 3.22Å; M157-I161 WeakPolarHBondContact O-CG1 3.48Å; M157-I161 PolarHBondContact O-N 3.17Å; M157-W315 HydrophobicContact CB-CE3 4.24Å; M157-W315 HydrophobicContact CB-CZ3 4.15Å; M157-W315 HydrophobicContact CG-CD2 4.12Å; M157-W315 HydrophobicContact CG-CE3 3.83Å; M157-W315 HydrophobicContact CG-CH2 3.95Å; M157-W315 HydrophobicContact CG-CZ2 4.24Å; M157-W315 HydrophobicContact CG-CZ3 3.73Å; M157-W315 HydrophobicContact SD-CH2 3.69Å; M157-W315 HydrophobicContact SD-CZ2 4.08Å; M157-W315 HydrophobicContact SD-CZ3 3.99Å
158	G	98.6	Very high	98.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-26.7	177.9	0	0	0	0	0	113.9	H83 G154 H155 S156 A162	H83-G158 VanDerWaalsContact O-CA 3.24Å; H83-G158 WeakPolarHBondContact O-CA 3.19Å; H83-G158 PolarHBondContact O-N 3.08Å; H83-G158 VanDerWaalsContact O-N 3.12Å; G154-G158 WeakPolarHBondContact CA-O 3.44Å; H155-G158 WeakPolarHBondContact O-CA 3.23Å; H155-G158 PolarHBondContact O-N 3.2Å; S156-G158 VanDerWaalsContact C-N 3.28Å; S156-G158 PolarHBondContact O-N 2.6Å; G158-A162 VanDerWaalsContact O-CB 3.31Å; G158-A162 WeakPolarHBondContact O-CB 3.23Å; G158-A162 PolarHBondContact O-N 3.29Å
159	G	98.3	Very high	98.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.4	-43	170.9	0	0	0	0	0	112.1	G154 H155 S156 M157 A162 V163	G154-G159 VanDerWaalsContact C-N 3.32Å; G154-G159 WeakPolarHBondContact O-CA 3.47Å; H155-G159 PolarHBondContact O-N 2.82Å; S156-G159 WeakPolarHBondContact O-CA 3.41Å; S156-G159 PolarHBondContact O-N 2.68Å; M157-G159 PolarHBondContact O-N 3.47Å; G159-A162 PolarHBondContact O-N 3.42Å; G159-V163 WeakPolarHBondContact O-CG2 3.27Å; G159-V163 PolarHBondContact O-N 3.05Å
160	A	98.4	Very high	98.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.9	-49.4	172.6	0	0	0	0	0	111.5	S156 M157 A162 V163 H164 W315 F316 L319	S156-A160 PolarHBondContact O-N 3.43Å; M157-A160 WeakPolarHBondContact O-CB 3.46Å; M157-A160 PolarHBondContact O-N 3.22Å; A160-A162 VanDerWaalsContact C-N 3.28Å; A160-A162 PolarHBondContact O-N 2.82Å; A160-V163 WeakPolarHBondContact O-CB 3.41Å; A160-V163 PolarHBondContact O-N 3.22Å; A160-V163 VanDerWaalsContact O-N 3.08Å; A160-H164 PolarHBondContact O-CD2 3.11Å; A160-H164 PolarHBondContact O-N 3.27Å; A160-W315 HydrophobicContact CB-CB 4.17Å; A160-W315 VanDerWaalsContact CB-O 3.3Å; A160-W315 WeakPolarHBondContact CB-O 3.19Å; A160-F316 HydrophobicContact CB-CD1 4.21Å; A160-F316 HydrophobicContact CB-CE1 4.12Å; A160-L319 HydrophobicContact CB-CD1 4.12Å; A160-L319 HydrophobicContact CB-CD2 3.83Å
161	I	98.9	Very high	98.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61	-37.3	179.4	-58.2	-44.9	0	0	0	111.6	L82 A128 M131 A132 V135 M157 V163 H164 T165	L82-I161 HydrophobicContact CD1-CB 4.37Å; L82-I161 HydrophobicContact CD1-CG2 4.17Å; A128-I161 HydrophobicContact CB-CD1 4.31Å; M131-I161 HydrophobicContact CB-CD1 3.74Å; M131-I161 HydrophobicContact CB-CG1 3.98Å; M131-I161 HydrophobicContact CB-CG2 4.06Å; M131-I161 HydrophobicContact CE-CG1 4.28Å; M131-I161 HydrophobicContact SD-CD1 4.18Å; M131-I161 HydrophobicContact SD-CG1 4.33Å; A132-I161 HydrophobicContact CB-CG2 4.39Å; V135-I161 HydrophobicContact CG2-CG2 3.98Å; M157-I161 WeakPolarHBondContact O-CG1 3.48Å; M157-I161 PolarHBondContact O-N 3.17Å; I161-V163 VanDerWaalsContact C-N 3.32Å; I161-V163 PolarHBondContact O-N 3.19Å; I161-H164 PolarHBondContact O-N 3.08Å; I161-T165 VanDerWaalsContact O-CB 3.31Å; I161-T165 WeakPolarHBondContact O-CB 3.39Å; I161-T165 PolarHBondContact O-N 3.01Å; I161-T165 PolarHBondContact O-OG1 3.26Å
162	A	98.9	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-41.9	174.9	0	0	0	0	0	112.2	L82 L152 G158 G159 A160 A166 L177	L82-A162 HydrophobicContact CD1-CB 3.99Å; L152-A162 HydrophobicContact CB-CB 4.19Å; G158-A162 VanDerWaalsContact O-CB 3.31Å; G158-A162 WeakPolarHBondContact O-CB 3.23Å; G158-A162 PolarHBondContact O-N 3.29Å; G159-A162 PolarHBondContact O-N 3.42Å; A160-A162 VanDerWaalsContact C-N 3.28Å; A160-A162 PolarHBondContact O-N 2.82Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.41Å; A162-L177 HydrophobicContact CB-CD1 3.69Å
163	V	98.8	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69	-45.6	178.1	176.9	0	0	0	0	111.3	G159 A160 I161 T165 A166 S167 L177 M179 L319 L322 F323	G159-V163 WeakPolarHBondContact O-CG2 3.27Å; G159-V163 PolarHBondContact O-N 3.05Å; A160-V163 WeakPolarHBondContact O-CB 3.41Å; A160-V163 PolarHBondContact O-N 3.22Å; A160-V163 VanDerWaalsContact O-N 3.08Å; I161-V163 VanDerWaalsContact C-N 3.32Å; I161-V163 PolarHBondContact O-N 3.19Å; V163-T165 VanDerWaalsContact C-N 3.31Å; V163-T165 PolarHBondContact O-N 2.91Å; V163-A166 PolarHBondContact O-N 3.38Å; V163-S167 VanDerWaalsContact O-CB 3.32Å; V163-S167 WeakPolarHBondContact O-CB 3.37Å; V163-S167 PolarHBondContact O-N 2.89Å; V163-L177 HydrophobicContact CG2-CD2 4Å; V163-M179 HydrophobicContact CG2-CE 4.24Å; V163-M179 HydrophobicContact CG2-CG 3.81Å; V163-M179 HydrophobicContact CG2-SD 3.29Å; V163-M179 WeakPolarHBondContact CG2-SD 3.37Å; V163-L319 HydrophobicContact CB-CD1 3.65Å; V163-L319 HydrophobicContact CG1-CD1 3.77Å; V163-L319 HydrophobicContact CG2-CD1 3.92Å; V163-L322 HydrophobicContact CG1-CB 3.92Å; V163-L322 HydrophobicContact CG1-CD2 3.97Å; V163-L322 HydrophobicContact CG1-CG 3.83Å; V163-F323 HydrophobicContact CG1-CB 4.15Å; V163-F323 HydrophobicContact CG2-CB 4.14Å; V163-F323 HydrophobicContact CG2-CD2 4.12Å
164	H	98.9	Very high	98.3	Very high	26 Å²	26	23.9 Å²	23.9	12%	0.12	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-43.9	176	-77.2	-75.7	0	0	0	111.2	A132 A160 I161 A166 S167 S168 G314 W315	A132-H164 HydrophobicContact CB-CB 3.91Å; A160-H164 PolarHBondContact O-CD2 3.11Å; A160-H164 PolarHBondContact O-N 3.27Å; I161-H164 PolarHBondContact O-N 3.08Å; H164-A166 PolarHBondContact O-N 3.35Å; H164-S167 PolarHBondContact O-N 3.36Å; H164-S168 WeakPolarHBondContact O-CB 3.18Å; H164-S168 PolarHBondContact O-N 2.99Å; H164-S168 PolarHBondContact O-OG 2.76Å; H164-G314 PolarHBondContact NE2-O 3.37Å; H164-W315 PolarHBondContact NE2-O 3.46Å
165	T	98.9	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-47	175.3	-54.7	0	0	0	0	111.7	A132 V135 L152 I161 V163 N169 L170 V171	A132-T165 WeakPolarHBondContact CA-OG1 3.21Å; V135-T165 HydrophobicContact CB-CG2 4.07Å; V135-T165 HydrophobicContact CG1-CG2 3.74Å; L152-T165 HydrophobicContact CD1-CG2 3.96Å; I161-T165 VanDerWaalsContact O-CB 3.31Å; I161-T165 WeakPolarHBondContact O-CB 3.39Å; I161-T165 PolarHBondContact O-N 3.01Å; I161-T165 PolarHBondContact O-OG1 3.26Å; V163-T165 VanDerWaalsContact C-N 3.31Å; V163-T165 PolarHBondContact O-N 2.91Å; T165-N169 PolarHBondContact O-N 2.84Å; T165-L170 HydrophobicContact CG2-CB 3.95Å; T165-L170 PolarHBondContact O-N 3.08Å; T165-L170 VanDerWaalsContact O-N 3.1Å; T165-V171 HydrophobicContact CG2-CG2 3.78Å
166	A	98.8	Very high	98.4	Very high	13 Å²	13	25.3 Å²	25.3	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-45.8	179.1	0	0	0	0	0	112.2	L152 A162 V163 H164 S168 N169 L174 L177 I328	L152-A166 HydrophobicContact CD1-CB 4.41Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.41Å; V163-A166 PolarHBondContact O-N 3.38Å; H164-A166 PolarHBondContact O-N 3.35Å; A166-S168 VanDerWaalsContact C-N 3.32Å; A166-S168 PolarHBondContact O-N 3.27Å; A166-N169 WeakPolarHBondContact O-CA 3.36Å; A166-N169 PolarHBondContact O-N 3.46Å; A166-L174 HydrophobicContact CB-CD2 3.44Å; A166-L174 VanDerWaalsContact CB-CD2 3.44Å; A166-L177 HydrophobicContact CB-CD2 4.1Å; A166-I328 HydrophobicContact CB-CD1 4.49Å
167	S	98.6	Very high	98.5	Very high	51 Å²	51	24.6 Å²	24.6	36%	0.357	15%	0.15	S	C	.	.	H	α-helix	trans	-66.8	-33.7	-178.2	-174.9	0	0	0	0	112.5	V163 H164 N169 L322	V163-S167 VanDerWaalsContact O-CB 3.32Å; V163-S167 WeakPolarHBondContact O-CB 3.37Å; V163-S167 PolarHBondContact O-N 2.89Å; H164-S167 PolarHBondContact O-N 3.36Å; S167-N169 PolarHBondContact O-N 2.95Å; S167-L322 WeakPolarHBondContact OG-CD1 3.47Å
168	S	98.5	Very high	98.6	Very high	77 Å²	77	24.6 Å²	24.6	54%	0.538	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	2.1	173.8	-65.2	0	0	0	0	113	H164 A166 L170	H164-S168 WeakPolarHBondContact O-CB 3.18Å; H164-S168 PolarHBondContact O-N 2.99Å; H164-S168 PolarHBondContact O-OG 2.76Å; A166-S168 VanDerWaalsContact C-N 3.32Å; A166-S168 PolarHBondContact O-N 3.27Å; S168-L170 PolarHBondContact O-N 2.9Å
169	N	98.3	Very high	98.6	Very high	119 Å²	119	24.7 Å²	24.7	64%	0.636	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	40.2	179.6	-165	56.7	0	0	0	113.2	T165 A166 S167 V171	T165-N169 PolarHBondContact O-N 2.84Å; A166-N169 WeakPolarHBondContact O-CA 3.36Å; A166-N169 PolarHBondContact O-N 3.46Å; S167-N169 PolarHBondContact O-N 2.95Å; N169-V171 VanDerWaalsContact C-N 3.27Å; N169-V171 PolarHBondContact O-N 3.4Å
170	L	98.4	Very high	98.4	Very high	44 Å²	44	24.7 Å²	24.7	23%	0.23	15%	0.15	C	C	.	.			trans	-80.4	-8.3	-176.8	-63.8	177.1	0	0	0	113.5	A132 K133 T165 S168	A132-L170 HydrophobicContact CB-CD1 4.11Å; A132-L170 VanDerWaalsContact O-CD1 3.24Å; A132-L170 WeakPolarHBondContact O-CD1 3.44Å; K133-L170 HydrophobicContact CD-CD2 4.48Å; T165-L170 HydrophobicContact CG2-CB 3.95Å; T165-L170 PolarHBondContact O-N 3.08Å; T165-L170 VanDerWaalsContact O-N 3.1Å; S168-L170 PolarHBondContact O-N 2.9Å
171	V	98.6	Very high	98	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	15%	0.153	C	C	.	.			trans	-120.9	97.3	175.9	179.1	0	0	0	0	107.8	V139 I150 T165 N169 S173 L174	V139-V171 HydrophobicContact CG1-CG1 4.44Å; V139-V171 HydrophobicContact CG2-CG2 4.13Å; I150-V171 HydrophobicContact CB-CG1 3.95Å; I150-V171 HydrophobicContact CD1-CG1 3.72Å; I150-V171 HydrophobicContact CG1-CG1 4.44Å; I150-V171 HydrophobicContact CG2-CG1 3.96Å; T165-V171 HydrophobicContact CG2-CG2 3.78Å; N169-V171 VanDerWaalsContact C-N 3.27Å; N169-V171 PolarHBondContact O-N 3.4Å; V171-S173 PolarHBondContact O-N 3.25Å; V171-L174 HydrophobicContact CB-CB 4.08Å; V171-L174 HydrophobicContact CG1-CB 3.98Å; V171-L174 HydrophobicContact CG1-CD1 4.47Å; V171-L174 VanDerWaalsContact O-CB 3.22Å; V171-L174 WeakPolarHBondContact O-CB 3.28Å; V171-L174 PolarHBondContact O-N 2.9Å; V171-L174 VanDerWaalsContact O-N 3.14Å
172	P	97.9	Very high	97.3	Very high	103 Å²	103	25.4 Å²	25.4	67%	0.669	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.1	-171.7	-27.1	35.6	0	0	0	114.9
173	S	98.4	Very high	96.7	Very high	27 Å²	27	25.5 Å²	25.5	19%	0.189	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	18.7	-178.9	60.2	0	0	0	0	113.6	P147 P148 I150 V171 L175	P147-S173 WeakPolarHBondContact CB-OG 3.34Å; P148-S173 WeakPolarHBondContact O-CB 3.43Å; P148-S173 PolarHBondContact O-OG 3.42Å; I150-S173 PolarHBondContact N-O 3.16Å; V171-S173 PolarHBondContact O-N 3.25Å; S173-L175 PolarHBondContact O-N 3.42Å
174	L	98.8	Very high	96.2	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.131	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	119.4	-179	-173.5	67.5	0	0	0	111.1	I150 L152 A166 V171 G176 I328	I150-L174 HydrophobicContact CG2-CD1 4.26Å; I150-L174 CarbonylContact O-C 3.6Å; I150-L174 WeakPolarHBondContact O-CA 3.39Å; L152-L174 HydrophobicContact CB-CD1 3.97Å; L152-L174 HydrophobicContact CD1-CD1 3.71Å; L152-L174 HydrophobicContact CD1-CD2 4Å; L152-L174 HydrophobicContact CG-CD1 3.65Å; A166-L174 HydrophobicContact CB-CD2 3.44Å; A166-L174 VanDerWaalsContact CB-CD2 3.44Å; V171-L174 HydrophobicContact CB-CB 4.08Å; V171-L174 HydrophobicContact CG1-CB 3.98Å; V171-L174 HydrophobicContact CG1-CD1 4.47Å; V171-L174 VanDerWaalsContact O-CB 3.22Å; V171-L174 WeakPolarHBondContact O-CB 3.28Å; V171-L174 PolarHBondContact O-N 2.9Å; V171-L174 VanDerWaalsContact O-N 3.14Å; L174-G176 WeakPolarHBondContact CD1-O 3.29Å; L174-I328 HydrophobicContact CD2-CD1 3.5Å; L174-I328 HydrophobicContact CG-CD1 3.76Å
175	L	98.6	Very high	95.3	Very high	30 Å²	30	27.3 Å²	27.3	16%	0.157	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-12	-179.4	57.1	61.3	0	0	0	114.1	P77 P149 I150 M151 S173 P329 F386	P77-L175 HydrophobicContact CB-CD2 4.34Å; P149-L175 HydrophobicContact CB-CD2 3.43Å; P149-L175 VanDerWaalsContact CB-CD2 3.43Å; P149-L175 HydrophobicContact CB-CG 4.28Å; I150-L175 WeakPolarHBondContact O-CG 3.43Å; I150-L175 PolarHBondContact O-N 2.73Å; M151-L175 HydrophobicContact CB-CD1 3.84Å; S173-L175 PolarHBondContact O-N 3.42Å; L175-P329 WeakPolarHBondContact O-CD 3.24Å; L175-F386 HydrophobicContact CB-CD1 4.42Å; L175-F386 HydrophobicContact CB-CE1 4.06Å; L175-F386 HydrophobicContact CB-CZ 4.17Å; L175-F386 HydrophobicContact CD1-CB 4.3Å; L175-F386 HydrophobicContact CD1-CD1 4.2Å; L175-F386 HydrophobicContact CD1-CD2 3.67Å; L175-F386 HydrophobicContact CD1-CE1 4.39Å; L175-F386 HydrophobicContact CD1-CE2 3.87Å; L175-F386 HydrophobicContact CD1-CG 3.82Å; L175-F386 HydrophobicContact CD1-CZ 4.21Å; L175-F386 HydrophobicContact CD2-CB 4.16Å; L175-F386 HydrophobicContact CD2-CD1 3.81Å; L175-F386 HydrophobicContact CD2-CE1 4.29Å; L175-F386 HydrophobicContact CD2-CG 3.98Å; L175-F386 HydrophobicContact CG-CD1 4.38Å; L175-F386 HydrophobicContact CG-CE1 4.48Å; L175-F386 HydrophobicContact CG-CG 4.44Å; L175-F386 WeakPolarHBondContact O-CE2 3.31Å; L175-F386 WeakPolarHBondContact O-CZ 3.26Å
176	G	98.7	Very high	94.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	157.4	-176.5	0	0	0	0	0	113.5	M151 L152 L174 P329	M151-G176 WeakPolarHBondContact CA-O 3.35Å; L152-G176 PolarHBondContact N-O 2.61Å; L174-G176 WeakPolarHBondContact CD1-O 3.29Å; G176-P329 WeakPolarHBondContact CA-O 3.29Å
177	L	98.9	Very high	93.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.8	-177.6	175.3	63.6	0	0	0	110.8	L152 A162 V163 A166 F323 C326 I328 P329 K330 L331	L152-L177 HydrophobicContact CB-CD1 3.89Å; L152-L177 CarbonylContact O-C 3.57Å; L152-L177 WeakPolarHBondContact O-CA 3.32Å; A162-L177 HydrophobicContact CB-CD1 3.69Å; V163-L177 HydrophobicContact CG2-CD2 4Å; A166-L177 HydrophobicContact CB-CD2 4.1Å; L177-F323 HydrophobicContact CD2-CD2 3.77Å; L177-F323 HydrophobicContact CD2-CE2 4.13Å; L177-F323 HydrophobicContact CG-CD2 4.36Å; L177-F323 HydrophobicContact CG-CE2 4.28Å; L177-C326 HydrophobicContact CD2-CB 4.45Å; L177-I328 HydrophobicContact CB-CD1 3.81Å; L177-I328 HydrophobicContact CB-CG1 4.41Å; L177-P329 PolarHBondContact N-O 2.97Å; L177-P329 VanDerWaalsContact N-O 3.09Å; L177-K330 HydrophobicContact CB-CG 4.37Å; L177-K330 CarbonylContact O-C 3.47Å; L177-K330 VanDerWaalsContact O-CA 3.3Å; L177-K330 WeakPolarHBondContact O-CA 3.39Å; L177-L331 PolarHBondContact O-N 3.44Å
178	C	98.8	Very high	92.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.3	174.1	179.8	0	0	0	0	111.4	M151 L152 I153 G154 L331	M151-C178 HydrophobicContact CE-CB 3.65Å; L152-C178 PolarHBondContact O-N 2.93Å; I153-C178 WeakPolarHBondContact CA-O 3.44Å; I153-C178 HydrophobicContact CB-CB 4.26Å; I153-C178 HydrophobicContact CG1-CB 4.04Å; I153-C178 HydrophobicContact CG2-CB 3.99Å; G154-C178 PolarHBondContact N-O 3.45Å; C178-L331 CarbonylContact C-O 3.58Å; C178-L331 VanDerWaalsContact CA-O 3.24Å; C178-L331 WeakPolarHBondContact CA-O 3.37Å; C178-L331 HydrophobicContact CB-CB 4.08Å; C178-L331 HydrophobicContact CB-CD2 4.43Å
179	M	97.5	Very high	92	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.8	169	-71.6	173.7	66.3	0	0	110	V163 V182 L319 F323 L331 L332 L333	V163-M179 HydrophobicContact CG2-CE 4.24Å; V163-M179 HydrophobicContact CG2-CG 3.81Å; V163-M179 HydrophobicContact CG2-SD 3.29Å; V163-M179 WeakPolarHBondContact CG2-SD 3.37Å; M179-V182 HydrophobicContact CE-CB 3.72Å; M179-V182 HydrophobicContact CE-CG1 4.05Å; M179-L319 HydrophobicContact CE-CD2 3.78Å; M179-L319 HydrophobicContact CE-CG 4.11Å; M179-F323 HydrophobicContact CG-CD2 4.07Å; M179-F323 HydrophobicContact CG-CE2 4.13Å; M179-F323 HydrophobicContact SD-CB 3.84Å; M179-F323 HydrophobicContact SD-CD1 4.39Å; M179-F323 HydrophobicContact SD-CD2 3.29Å; M179-F323 WeakPolarHBondContact SD-CD2 3.24Å; M179-F323 HydrophobicContact SD-CE2 3.81Å; M179-F323 HydrophobicContact SD-CG 3.6Å; M179-F323 VanDerWaalsContact SD-CG 3.6Å; M179-L331 PolarHBondContact N-O 2.84Å; M179-L332 HydrophobicContact CB-CD1 3.76Å; M179-L332 WeakPolarHBondContact O-CA 3.33Å; M179-L333 PolarHBondContact O-N 3.02Å
180	I	96.1	Very high	91	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.4	176.9	-51.2	-168.2	0	0	0	109.8	W92 I153 G154 H155 S156 V182 L333 V365 H366 V373	W92-I180 HydrophobicContact CH2-CD1 3.66Å; W92-I180 HydrophobicContact CZ3-CD1 3.95Å; I153-I180 HydrophobicContact CG2-CD1 4.05Å; I153-I180 HydrophobicContact CG2-CG1 4.39Å; G154-I180 PolarHBondContact O-N 3.25Å; H155-I180 HydrophobicContact CB-CB 4.35Å; H155-I180 PolarHBondContact CD2-O 3.01Å; S156-I180 PolarHBondContact N-O 3.4Å; I180-V182 VanDerWaalsContact O-CG2 3.28Å; I180-V182 WeakPolarHBondContact O-CG2 3.28Å; I180-V182 PolarHBondContact O-N 2.79Å; I180-L333 WeakPolarHBondContact CA-O 3.49Å; I180-L333 HydrophobicContact CD1-CD1 4.04Å; I180-L333 HydrophobicContact CG1-CB 4.26Å; I180-L333 HydrophobicContact CG1-CD1 4.17Å; I180-L333 HydrophobicContact CG2-CB 4.33Å; I180-V365 HydrophobicContact CG2-CB 4.03Å; I180-V365 HydrophobicContact CG2-CG2 4.36Å; I180-H366 HydrophobicContact CD1-CB 4.38Å; I180-V373 HydrophobicContact CD1-CG1 3.77Å
181	D	89.4	Confident	90	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.053	17%	0.172	C	C	.	.	S	Bend	trans	60	40.6	169.6	-147.3	42.4	0	0	0	114.1	L333 A335 R339 H363 V365	D181-L333 PolarHBondContact N-O 2.79Å; D181-A335 PolarHBondContact OD1-N 2.74Å; D181-A335 VanDerWaalsContact OD1-N 3.14Å; D181-R339 WeakPolarHBondContact OD1-CD 3.18Å; D181-R339 IonicContact OD1-CZ 3.51Å; D181-R339 IonicContact OD1-NE 3.8Å; D181-R339 IonicContact OD1-NH1 3.77Å; D181-R339 PolarHBondContact OD1-NH1 2.71Å; D181-R339 IonicContact OD1-NH2 3.83Å; D181-R339 IonicContact OD2-CZ 3.43Å; D181-R339 IonicContact OD2-NH1 3.17Å; D181-R339 PolarHBondContact OD2-NH1 2.95Å; D181-R339 IonicContact OD2-NH2 3.87Å; D181-H363 IonicContact OD2-ND1 2.71Å; D181-V365 HydrophobicContact CB-CG2 4.17Å
182	V	84.7	Confident	88.7	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.03	20%	0.203	C	C	.	.			trans	-132.4	123.2	178.5	-163.2	0	0	0	0	110.3	S156 M179 I180 F316 L319	S156-V182 VanDerWaalsContact O-CG2 3.3Å; S156-V182 WeakPolarHBondContact O-CG2 3.45Å; M179-V182 HydrophobicContact CE-CB 3.72Å; M179-V182 HydrophobicContact CE-CG1 4.05Å; I180-V182 VanDerWaalsContact O-CG2 3.28Å; I180-V182 WeakPolarHBondContact O-CG2 3.28Å; I180-V182 PolarHBondContact O-N 2.79Å; V182-F316 HydrophobicContact CG1-CD1 4Å; V182-F316 HydrophobicContact CG1-CE1 3.92Å; V182-L319 HydrophobicContact CG1-CD2 3.7Å
183	V	86	Confident	87.9	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.012	20%	0.199	C	C	.	.			trans	-143.3	129.4	171.2	179.1	0	0	0	0	108.2	G185 T186 A187 L334 R339 D341 L344	V183-G185 PolarHBondContact O-N 3.43Å; V183-T186 PolarHBondContact O-N 2.9Å; V183-T186 PolarHBondContact O-OG1 3.22Å; V183-A187 VanDerWaalsContact O-CB 3.26Å; V183-A187 WeakPolarHBondContact O-CB 3.31Å; V183-A187 PolarHBondContact O-N 3.14Å; V183-L334 HydrophobicContact CG2-CD2 3.88Å; V183-R339 WeakPolarHBondContact CB-O 3.42Å; V183-R339 WeakPolarHBondContact CG1-O 3.28Å; V183-R339 HydrophobicContact CG2-CB 4.39Å; V183-R339 WeakPolarHBondContact CG2-O 3.06Å; V183-D341 HydrophobicContact CG1-CB 3.7Å; V183-D341 VanDerWaalsContact CG1-CG 3.45Å; V183-D341 VanDerWaalsContact CG1-OD2 3.31Å; V183-D341 WeakPolarHBondContact CG1-OD2 3.4Å; V183-L344 HydrophobicContact CB-CD1 4.23Å; V183-L344 HydrophobicContact CG1-CD1 3.76Å; V183-L344 HydrophobicContact CG2-CD1 3.84Å
184	E	86.9	Confident	87.1	Confident	37 Å²	37	34.1 Å²	34.1	17%	0.173	20%	0.202	C	C	.	.	H	α-helix	trans	-49.3	-57.1	-172	170	174.5	-179.1	0	0	112.6	T186 A187 M188 F316 G318 L319 S320	E184-T186 PolarHBondContact O-N 3.15Å; E184-A187 PolarHBondContact O-N 3.41Å; E184-A187 VanDerWaalsContact O-N 3.16Å; E184-M188 HydrophobicContact CG-CG 4.45Å; E184-M188 WeakPolarHBondContact O-CG 3.3Å; E184-M188 PolarHBondContact O-N 3.01Å; E184-F316 VanDerWaalsContact CG-O 3.23Å; E184-F316 WeakPolarHBondContact CG-O 3.21Å; E184-G318 PolarHBondContact OE1-N 3.22Å; E184-G318 WeakPolarHBondContact OE2-CA 3.49Å; E184-G318 PolarHBondContact OE2-N 3.21Å; E184-L319 HydrophobicContact CB-CB 4.47Å; E184-L319 PolarHBondContact OE2-N 2.98Å; E184-L319 VanDerWaalsContact OE2-N 3.08Å; E184-S320 WeakPolarHBondContact CB-OG 3.18Å; E184-S320 PolarHBondContact OE2-N 2.9Å
185	G	80.2	Confident	86.4	Confident	28 Å²	28	33.3 Å²	33.3	29%	0.289	20%	0.198	S	C	.	.	H	α-helix	trans	-55.7	-49.8	-175.3	0	0	0	0	0	112.9	V183 D189 D341	V183-G185 PolarHBondContact O-N 3.43Å; G185-D189 PolarHBondContact O-N 2.71Å; G185-D341 PolarHBondContact N-OD2 3.38Å
186	T	81.9	Confident	85.8	Confident	51 Å²	51	37.4 Å²	37.4	31%	0.313	22%	0.219	S	C	.	.	H	α-helix	trans	-72.8	-30.2	179.7	63.3	0	0	0	0	113.7	V183 E184 A190 R339	V183-T186 PolarHBondContact O-N 2.9Å; V183-T186 PolarHBondContact O-OG1 3.22Å; E184-T186 PolarHBondContact O-N 3.15Å; T186-A190 WeakPolarHBondContact O-CB 3.37Å; T186-A190 PolarHBondContact O-N 3.48Å; T186-R339 WeakPolarHBondContact CG2-O 3.49Å
187	A	80.6	Confident	85.2	Confident	16 Å²	16	42.6 Å²	42.6	13%	0.132	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-46.2	176.1	0	0	0	0	0	110.5	V183 E184 D189 A190 L191 F316	V183-A187 VanDerWaalsContact O-CB 3.26Å; V183-A187 WeakPolarHBondContact O-CB 3.31Å; V183-A187 PolarHBondContact O-N 3.14Å; E184-A187 PolarHBondContact O-N 3.41Å; E184-A187 VanDerWaalsContact O-N 3.16Å; A187-D189 VanDerWaalsContact C-N 3.35Å; A187-D189 PolarHBondContact O-N 3.45Å; A187-A190 PolarHBondContact O-N 3.1Å; A187-A190 VanDerWaalsContact O-N 3.14Å; A187-L191 WeakPolarHBondContact O-CD2 3.39Å; A187-L191 VanDerWaalsContact O-CG 3.29Å; A187-L191 WeakPolarHBondContact O-CG 3.5Å; A187-L191 PolarHBondContact O-N 2.92Å; A187-F316 HydrophobicContact CB-CB 4.3Å; A187-F316 HydrophobicContact CB-CD1 4.05Å; A187-F316 HydrophobicContact CB-CD2 4.23Å; A187-F316 HydrophobicContact CB-CE1 4.48Å; A187-F316 HydrophobicContact CB-CG 3.93Å
188	M	80.9	Confident	84.7	Confident	53 Å²	53	43.4 Å²	43.4	26%	0.261	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-41.5	177.8	-67.8	-58.7	-70.4	0	0	112.1	E184 A190 L191 D313 F316	E184-M188 HydrophobicContact CG-CG 4.45Å; E184-M188 WeakPolarHBondContact O-CG 3.3Å; E184-M188 PolarHBondContact O-N 3.01Å; M188-A190 VanDerWaalsContact C-N 3.31Å; M188-A190 PolarHBondContact O-N 3.31Å; M188-L191 HydrophobicContact CE-CD1 4.38Å; M188-L191 HydrophobicContact SD-CD1 3.98Å; M188-D313 VanDerWaalsContact CE-OD1 3.31Å; M188-D313 WeakPolarHBondContact CE-OD1 3.36Å; M188-F316 HydrophobicContact SD-CB 4.04Å
189	D	82.1	Confident	84.2	Confident	135 Å²	135	51.9 Å²	51.9	72%	0.722	28%	0.279	S	S	*	.	H	α-helix	trans	-66.5	-33.2	175.7	-70.7	-21.3	0	0	0	112.5	G185 A187	G185-D189 PolarHBondContact O-N 2.71Å; A187-D189 VanDerWaalsContact C-N 3.35Å; A187-D189 PolarHBondContact O-N 3.45Å
190	A	78.1	Confident	83.8	Confident	42 Å²	42	55 Å²	55	35%	0.347	31%	0.312	S	S	.	.	H	α-helix	trans	-81.5	-15.3	-175.9	0	0	0	0	0	114.4	T186 A187 M188 N192 S193 M194	T186-A190 WeakPolarHBondContact O-CB 3.37Å; T186-A190 PolarHBondContact O-N 3.48Å; A187-A190 PolarHBondContact O-N 3.1Å; A187-A190 VanDerWaalsContact O-N 3.14Å; M188-A190 VanDerWaalsContact C-N 3.31Å; M188-A190 PolarHBondContact O-N 3.31Å; A190-N192 VanDerWaalsContact C-N 3.31Å; A190-N192 PolarHBondContact O-N 3.26Å; A190-S193 WeakPolarHBondContact O-CB 3.33Å; A190-S193 PolarHBondContact O-N 3.46Å; A190-M194 PolarHBondContact O-N 3.37Å
191	L	76	Confident	83.7	Confident	24 Å²	24	56.5 Å²	56.5	13%	0.126	32%	0.317	C	S	.	.	H	α-helix	trans	-54.3	-45.1	-174.9	-63.2	-174.5	0	0	0	112.5	A187 M188 S193 M194 Q195 W312 F316	A187-L191 WeakPolarHBondContact O-CD2 3.39Å; A187-L191 VanDerWaalsContact O-CG 3.29Å; A187-L191 WeakPolarHBondContact O-CG 3.5Å; A187-L191 PolarHBondContact O-N 2.92Å; M188-L191 HydrophobicContact CE-CD1 4.38Å; M188-L191 HydrophobicContact SD-CD1 3.98Å; L191-S193 PolarHBondContact O-N 2.82Å; L191-M194 WeakPolarHBondContact O-CB 3.39Å; L191-M194 PolarHBondContact O-N 3.44Å; L191-Q195 PolarHBondContact O-N 2.92Å; L191-W312 HydrophobicContact CB-CE3 3.96Å; L191-W312 HydrophobicContact CB-CZ3 4.29Å; L191-W312 HydrophobicContact CD1-CB 4.02Å; L191-W312 HydrophobicContact CD1-CE3 4.4Å; L191-W312 HydrophobicContact CD2-CB 3.98Å; L191-W312 HydrophobicContact CD2-CD2 4.12Å; L191-W312 HydrophobicContact CD2-CE3 3.67Å; L191-W312 HydrophobicContact CD2-CG 4.31Å; L191-W312 HydrophobicContact CD2-CZ3 4.46Å; L191-W312 HydrophobicContact CG-CE3 4.19Å; L191-F316 HydrophobicContact CD2-CD2 4.09Å; L191-F316 HydrophobicContact CD2-CE2 3.96Å
192	N	72.7	Confident	84	Confident	121 Å²	121	58.1 Å²	58.1	65%	0.647	33%	0.328	S	S	*	.	H	α-helix	trans	-65.4	-38.4	178.4	-73.3	-39.7	0	0	0	112.7	A190 M194	A190-N192 VanDerWaalsContact C-N 3.31Å; A190-N192 PolarHBondContact O-N 3.26Å; N192-M194 VanDerWaalsContact C-N 3.29Å; N192-M194 PolarHBondContact O-N 2.95Å
193	S	81.5	Confident	84.5	Confident	83 Å²	83	66.3 Å²	66.3	58%	0.58	36%	0.363	S	S	*	.	H	α-helix	trans	-67.9	-32.9	176.4	-173.6	0	0	0	0	111.6	A190 L191 N196 F197	A190-S193 WeakPolarHBondContact O-CB 3.33Å; A190-S193 PolarHBondContact O-N 3.46Å; L191-S193 PolarHBondContact O-N 2.82Å; S193-N196 PolarHBondContact O-N 2.8Å; S193-F197 PolarHBondContact O-N 2.98Å; S193-F197 VanDerWaalsContact O-N 3.11Å
194	M	81.8	Confident	85.1	Confident	52 Å²	52	70 Å²	70	26%	0.256	39%	0.386	S	S	.	.	H	α-helix	trans	-65.3	-42.2	179.2	-166.1	176.5	-60.9	0	0	111.5	A190 L191 N192 N196 F197 L198 W312	A190-M194 PolarHBondContact O-N 3.37Å; L191-M194 WeakPolarHBondContact O-CB 3.39Å; L191-M194 PolarHBondContact O-N 3.44Å; N192-M194 VanDerWaalsContact C-N 3.29Å; N192-M194 PolarHBondContact O-N 2.95Å; M194-N196 VanDerWaalsContact C-N 3.31Å; M194-N196 PolarHBondContact O-N 3.17Å; M194-F197 PolarHBondContact O-N 3.42Å; M194-L198 HydrophobicContact CG-CD1 4.05Å; M194-L198 HydrophobicContact CG-CG 4.24Å; M194-L198 WeakPolarHBondContact O-CB 3.32Å; M194-L198 VanDerWaalsContact O-CG 3.24Å; M194-L198 WeakPolarHBondContact O-CG 3.16Å; M194-L198 PolarHBondContact O-N 3.45Å; M194-W312 HydrophobicContact CB-CH2 4.4Å; M194-W312 HydrophobicContact CB-CZ3 4.48Å; M194-W312 HydrophobicContact CG-CH2 4.34Å; M194-W312 HydrophobicContact SD-CH2 4.25Å; M194-W312 HydrophobicContact SD-CZ2 4.39Å
195	Q	82.3	Confident	85.5	Confident	9 Å²	9	68.5 Å²	68.5	4%	0.042	38%	0.379	C	S	.	.	H	α-helix	trans	-55.7	-45.2	174.6	-80.4	-69	-27.2	0	0	112.4	L191 L198 R199 A306 E309 W312	L191-Q195 PolarHBondContact O-N 2.92Å; Q195-L198 PolarHBondContact O-N 2.66Å; Q195-R199 VanDerWaalsContact O-CG 3.31Å; Q195-R199 WeakPolarHBondContact O-CG 3.31Å; Q195-R199 PolarHBondContact O-N 2.59Å; Q195-R199 VanDerWaalsContact O-N 3.07Å; Q195-A306 PolarHBondContact NE2-O 2.86Å; Q195-E309 PolarHBondContact NE2-OE2 2.78Å; Q195-W312 HydrophobicContact CG-CH2 3.96Å; Q195-W312 HydrophobicContact CG-CZ3 3.9Å
196	N	86.3	Confident	86.3	Confident	115 Å²	115	75.4 Å²	75.4	62%	0.615	40%	0.401	S	S	*	.	H	α-helix	trans	-64.2	-42.6	178.5	-67.8	-28.3	0	0	0	111.9	S193 M194 G200	S193-N196 PolarHBondContact O-N 2.8Å; M194-N196 VanDerWaalsContact C-N 3.31Å; M194-N196 PolarHBondContact O-N 3.17Å; N196-G200 PolarHBondContact O-N 3.23Å
197	F	86.8	Confident	86.9	Confident	110 Å²	110	74.5 Å²	74.5	48%	0.482	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-48.6	175.1	173.6	-101	0	0	0	111.7	S193 M194 R199 G200	S193-F197 PolarHBondContact O-N 2.98Å; S193-F197 VanDerWaalsContact O-N 3.11Å; M194-F197 PolarHBondContact O-N 3.42Å; F197-R199 VanDerWaalsContact C-N 3.34Å; F197-R199 PolarHBondContact O-N 3.32Å; F197-G200 PolarHBondContact O-N 2.89Å; F197-G200 VanDerWaalsContact O-N 3.15Å
198	L	88.9	Confident	87.7	Confident	17 Å²	17	75 Å²	75	9%	0.089	40%	0.397	C	S	.	.	H	α-helix	trans	-62.5	-39	-176.9	-67.9	173.5	0	0	0	112.4	M194 Q195 G200 R201 L305 A306 W312	M194-L198 HydrophobicContact CG-CD1 4.05Å; M194-L198 HydrophobicContact CG-CG 4.24Å; M194-L198 WeakPolarHBondContact O-CB 3.32Å; M194-L198 VanDerWaalsContact O-CG 3.24Å; M194-L198 WeakPolarHBondContact O-CG 3.16Å; M194-L198 PolarHBondContact O-N 3.45Å; Q195-L198 PolarHBondContact O-N 2.66Å; L198-G200 VanDerWaalsContact C-N 3.33Å; L198-R201 PolarHBondContact O-N 3.02Å; L198-L305 HydrophobicContact CD1-CB 4.04Å; L198-L305 HydrophobicContact CD1-CD2 4.11Å; L198-L305 HydrophobicContact CD1-CG 4.18Å; L198-L305 HydrophobicContact CD2-CB 4.36Å; L198-L305 HydrophobicContact CD2-CD2 4.14Å; L198-A306 HydrophobicContact CD1-CB 4.46Å; L198-W312 HydrophobicContact CD1-CH2 4.16Å; L198-W312 HydrophobicContact CD1-CZ2 4.26Å
199	R	87.2	Confident	88.4	Confident	178 Å²	178	77 Å²	77	67%	0.672	41%	0.406	S	S	*	.	H	α-helix	trans	-71.2	-26.4	177.2	-69.2	175.3	-167.4	-179.7	4	113.3	Q195 F197 R201	Q195-R199 VanDerWaalsContact O-CG 3.31Å; Q195-R199 WeakPolarHBondContact O-CG 3.31Å; Q195-R199 PolarHBondContact O-N 2.59Å; Q195-R199 VanDerWaalsContact O-N 3.07Å; F197-R199 VanDerWaalsContact C-N 3.34Å; F197-R199 PolarHBondContact O-N 3.32Å; R199-R201 VanDerWaalsContact C-N 3.29Å
200	G	89.9	Confident	89.1	Confident	68 Å²	68	73 Å²	73	70%	0.701	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.8	177.4	0	0	0	0	0	114.6	N196 F197 L198	N196-G200 PolarHBondContact O-N 3.23Å; F197-G200 PolarHBondContact O-N 2.89Å; F197-G200 VanDerWaalsContact O-N 3.15Å; L198-G200 VanDerWaalsContact C-N 3.33Å
201	R	93.8	Very high	90.1	Very high	30 Å²	30	71 Å²	71	11%	0.113	37%	0.368	C	S	.	.	S	Bend	trans	-73.6	149.4	-179.8	-62.1	-172.3	-59.6	169.3	3.5	111.5	L198 R199 K203 W214 W301	L198-R201 PolarHBondContact O-N 3.02Å; R199-R201 VanDerWaalsContact C-N 3.29Å; R201-K203 PolarHBondContact O-N 3.29Å; R201-W214 HydrophobicContact CB-CH2 4.44Å; R201-W214 HydrophobicContact CB-CZ2 4.36Å; R201-W214 HydrophobicContact CG-CH2 4.03Å; R201-W214 HydrophobicContact CG-CZ2 4.2Å; R201-W301 HydrophobicContact CB-CZ2 3.94Å; R201-W301 HydrophobicContact CG-CZ2 4.29Å
202	P	96	Very high	91.1	Very high	44 Å²	44	69.9 Å²	69.9	29%	0.286	36%	0.362	S	S	.	.			trans	-53.1	137.9	168.9	-23.6	33.6	0	0	0	110.7	F205 W214 W301	P202-F205 HydrophobicContact CB-CE1 4.02Å; P202-F205 HydrophobicContact CB-CZ 4.16Å; P202-F205 HydrophobicContact CG-CE1 4.03Å; P202-F205 HydrophobicContact CG-CZ 4.3Å; P202-W214 VanDerWaalsContact CD-CE2 3.41Å; P202-W214 VanDerWaalsContact CD-CZ2 3.43Å; P202-W214 HydrophobicContact CG-CD2 4.31Å; P202-W214 HydrophobicContact CG-CG 4.33Å; P202-W214 HydrophobicContact CG-CZ2 4.27Å; P202-W214 VanDerWaalsContact CG-NE1 3.32Å; P202-W301 PolarHBondContact O-NE1 3.4Å
203	K	95.4	Very high	92.3	Very high	178 Å²	178	66.8 Å²	66.8	77%	0.774	34%	0.344	S	S	*	.	S	Bend	trans	-74.1	-33	178	-64.6	-172.6	178.2	-177	0	112.2	R201 T300	R201-K203 PolarHBondContact O-N 3.29Å; K203-T300 PolarHBondContact O-OG1 3.06Å
204	T	96.9	Very high	93.1	Very high	80 Å²	80	65.4 Å²	65.4	49%	0.491	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160	-178.9	58.9	0	0	0	0	111.3	Y299	T204-Y299 CarbonylContact C-O 3.42Å; T204-Y299 WeakPolarHBondContact CA-O 3.32Å; T204-Y299 WeakPolarHBondContact CB-O 3.5Å
205	F	96.9	Very high	93.8	Very high	5 Å²	5	62.9 Å²	62.9	2%	0.022	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.3	175.3	-58.9	-81.1	0	0	0	109.8	P202 S207 A211 W214 V235 P298 Y299 W301	P202-F205 HydrophobicContact CB-CE1 4.02Å; P202-F205 HydrophobicContact CB-CZ 4.16Å; P202-F205 HydrophobicContact CG-CE1 4.03Å; P202-F205 HydrophobicContact CG-CZ 4.3Å; F205-S207 VanDerWaalsContact C-N 3.35Å; F205-A211 HydrophobicContact CB-CB 3.98Å; F205-A211 HydrophobicContact CD1-CB 3.91Å; F205-A211 HydrophobicContact CD2-CB 3.84Å; F205-A211 HydrophobicContact CE1-CB 4.34Å; F205-A211 HydrophobicContact CE2-CB 4.28Å; F205-A211 HydrophobicContact CG-CB 3.63Å; F205-W214 HydrophobicContact CD1-CB 4.43Å; F205-W214 HydrophobicContact CE1-CB 3.8Å; F205-W214 AromaticContact CE1-CD2 3.8Å; F205-W214 HydrophobicContact CE1-CD2 3.8Å; F205-W214 HydrophobicContact CE1-CE3 4.01Å; F205-W214 AromaticContact CE1-CG 3.71Å; F205-W214 HydrophobicContact CE1-CG 3.71Å; F205-W214 HydrophobicContact CZ-CD2 4.03Å; F205-W214 AromaticContact CZ-CE3 3.86Å; F205-W214 HydrophobicContact CZ-CE3 3.86Å; F205-W214 HydrophobicContact CZ-CG 4.42Å; F205-W214 HydrophobicContact CZ-CZ3 4.43Å; F205-V235 HydrophobicContact CD2-CG1 4.16Å; F205-V235 HydrophobicContact CE2-CG1 4.18Å; F205-P298 CarbonylContact O-C 3.56Å; F205-P298 WeakPolarHBondContact O-CA 3.48Å; F205-Y299 PolarHBondContact N-O 3.49Å; F205-Y299 PolarHBondContact O-N 2.86Å; F205-W301 AromaticContact CE2-CE2 3.93Å; F205-W301 HydrophobicContact CE2-CH2 4.26Å; F205-W301 AromaticContact CE2-CZ2 3.79Å; F205-W301 HydrophobicContact CE2-CZ2 3.79Å; F205-W301 HydrophobicContact CZ-CH2 4.14Å; F205-W301 AromaticContact CZ-CZ2 3.65Å; F205-W301 HydrophobicContact CZ-CZ2 3.65Å
206	K	95.6	Very high	94.4	Very high	172 Å²	172	63.4 Å²	63.4	75%	0.748	32%	0.317	S	S	*	.	S	Bend	trans	-71.2	-33.3	-177.4	-62.6	178.7	-177	178.3	0	112.7	N210	K206-N210 PolarHBondContact N-OD1 3.29Å
207	S	96.1	Very high	94.8	Very high	32 Å²	32	64.3 Å²	64.3	22%	0.224	32%	0.316	C	S	.	.	S	Bend	trans	-153	166.5	179.6	67.4	0	0	0	0	109.2	F205 E209 N210 A211	F205-S207 VanDerWaalsContact C-N 3.35Å; S207-E209 VanDerWaalsContact C-N 3.31Å; S207-E209 PolarHBondContact O-N 2.66Å; S207-N210 WeakPolarHBondContact O-CB 3.3Å; S207-N210 PolarHBondContact O-N 3.4Å; S207-N210 PolarHBondContact OG-N 3.43Å; S207-A211 PolarHBondContact O-N 3.27Å; S207-A211 VanDerWaalsContact O-N 3.12Å
208	L	96.1	Very high	95.2	Very high	27 Å²	27	61.9 Å²	61.9	14%	0.141	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-38.7	174.8	-176.1	54.7	0	0	0	112.1	P43 N210 A211 I212 V232 V235 Y299	P43-L208 HydrophobicContact CB-CD2 3.62Å; P43-L208 HydrophobicContact CB-CG 4.06Å; P43-L208 HydrophobicContact CG-CD2 3.91Å; P43-L208 HydrophobicContact CG-CG 4.35Å; L208-N210 VanDerWaalsContact C-N 3.28Å; L208-N210 PolarHBondContact O-N 2.88Å; L208-A211 WeakPolarHBondContact O-CB 3.31Å; L208-A211 PolarHBondContact O-N 2.66Å; L208-A211 VanDerWaalsContact O-N 3.12Å; L208-I212 HydrophobicContact CG-CD1 4.18Å; L208-I212 WeakPolarHBondContact O-CG1 3.43Å; L208-I212 PolarHBondContact O-N 2.69Å; L208-V232 HydrophobicContact CD1-CB 4.25Å; L208-V232 HydrophobicContact CD1-CG1 4.06Å; L208-V232 HydrophobicContact CD2-CB 4.11Å; L208-V232 HydrophobicContact CD2-CG1 3.68Å; L208-V232 HydrophobicContact CG-CG1 4.21Å; L208-V235 HydrophobicContact CD1-CG2 3.67Å; L208-Y299 HydrophobicContact CB-CE1 4.44Å; L208-Y299 HydrophobicContact CB-CE2 4.29Å
209	E	97	Very high	95.3	Very high	95 Å²	95	62.8 Å²	62.8	44%	0.444	33%	0.326	S	S	.	.	H	α-helix	trans	-58.6	-40.4	173.6	-180	171.3	176.6	0	0	111.7	F41 S207 I212 E213	F41-E209 HydrophobicContact CB-CG 3.72Å; S207-E209 VanDerWaalsContact C-N 3.31Å; S207-E209 PolarHBondContact O-N 2.66Å; E209-I212 PolarHBondContact O-N 3.19Å; E209-E213 WeakPolarHBondContact O-CB 3.19Å; E209-E213 PolarHBondContact O-N 3.38Å
210	N	96.7	Very high	95.5	Very high	51 Å²	51	55.6 Å²	55.6	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-36.5	176.3	177.3	-143.8	0	0	0	112.3	K206 S207 L208 W214	K206-N210 PolarHBondContact N-OD1 3.29Å; S207-N210 WeakPolarHBondContact O-CB 3.3Å; S207-N210 PolarHBondContact O-N 3.4Å; S207-N210 PolarHBondContact OG-N 3.43Å; L208-N210 VanDerWaalsContact C-N 3.28Å; L208-N210 PolarHBondContact O-N 2.88Å; N210-W214 WeakPolarHBondContact O-CB 3.21Å; N210-W214 PolarHBondContact O-N 3.32Å
211	A	97.6	Very high	95.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-43.8	174	0	0	0	0	0	111.7	F205 S207 L208 W214 S215 M231 V235	F205-A211 HydrophobicContact CB-CB 3.98Å; F205-A211 HydrophobicContact CD1-CB 3.91Å; F205-A211 HydrophobicContact CD2-CB 3.84Å; F205-A211 HydrophobicContact CE1-CB 4.34Å; F205-A211 HydrophobicContact CE2-CB 4.28Å; F205-A211 HydrophobicContact CG-CB 3.63Å; S207-A211 PolarHBondContact O-N 3.27Å; S207-A211 VanDerWaalsContact O-N 3.12Å; L208-A211 WeakPolarHBondContact O-CB 3.31Å; L208-A211 PolarHBondContact O-N 2.66Å; L208-A211 VanDerWaalsContact O-N 3.12Å; A211-W214 PolarHBondContact O-N 2.8Å; A211-S215 PolarHBondContact O-N 3.38Å; A211-M231 HydrophobicContact CB-CE 4.02Å; A211-V235 HydrophobicContact CB-CG1 4.31Å
212	I	98.1	Very high	95.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-50.7	175.3	-65.6	161.8	0	0	0	110.1	F41 P43 L208 E209 W214 S215 V216 L224 A227 R228 M231	F41-I212 HydrophobicContact CB-CG2 4.2Å; F41-I212 HydrophobicContact CD1-CG2 4.13Å; F41-I212 VanDerWaalsContact O-CD1 3.23Å; F41-I212 WeakPolarHBondContact O-CD1 3.49Å; P43-I212 HydrophobicContact CB-CD1 3.9Å; L208-I212 HydrophobicContact CG-CD1 4.18Å; L208-I212 WeakPolarHBondContact O-CG1 3.43Å; L208-I212 PolarHBondContact O-N 2.69Å; E209-I212 PolarHBondContact O-N 3.19Å; I212-W214 VanDerWaalsContact C-N 3.32Å; I212-W214 PolarHBondContact O-N 2.96Å; I212-S215 PolarHBondContact O-N 2.6Å; I212-S215 PolarHBondContact O-OG 3.13Å; I212-V216 PolarHBondContact O-N 3.36Å; I212-L224 HydrophobicContact CG2-CD1 4.5Å; I212-A227 HydrophobicContact CG2-CB 4.26Å; I212-R228 HydrophobicContact CG2-CB 4.48Å; I212-R228 HydrophobicContact CG2-CG 3.86Å; I212-M231 HydrophobicContact CG1-CB 3.81Å; I212-M231 HydrophobicContact CG1-CG 4.38Å
213	E	97.6	Very high	95.7	Very high	57 Å²	57	57.6 Å²	57.6	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-58.8	-43.7	178.4	-176.7	-179.6	-157.3	0	0	112.2	F41 E209 V216 K217	F41-E213 HydrophobicContact CB-CB 4.19Å; F41-E213 HydrophobicContact CD1-CB 3.9Å; F41-E213 HydrophobicContact CD1-CG 4.28Å; F41-E213 HydrophobicContact CD2-CB 4.02Å; F41-E213 HydrophobicContact CD2-CG 3.95Å; F41-E213 HydrophobicContact CE1-CB 4.23Å; F41-E213 HydrophobicContact CE1-CG 4.15Å; F41-E213 HydrophobicContact CE2-CB 4.34Å; F41-E213 HydrophobicContact CE2-CG 3.81Å; F41-E213 HydrophobicContact CG-CB 3.78Å; F41-E213 HydrophobicContact CG-CG 4.18Å; F41-E213 HydrophobicContact CZ-CB 4.44Å; F41-E213 HydrophobicContact CZ-CG 3.92Å; E209-E213 WeakPolarHBondContact O-CB 3.19Å; E209-E213 PolarHBondContact O-N 3.38Å; E213-V216 PolarHBondContact O-N 3.14Å; E213-K217 HydrophobicContact CG-CD 3.92Å; E213-K217 HydrophobicContact CG-CG 4.43Å; E213-K217 WeakPolarHBondContact O-CB 3.47Å; E213-K217 WeakPolarHBondContact O-CG 3.21Å; E213-K217 PolarHBondContact O-N 3.2Å; E213-K217 WeakPolarHBondContact OE1-CE 3.44Å; E213-K217 IonicContact OE1-NZ 3.02Å; E213-K217 PolarHBondContact OE1-NZ 3.24Å
214	W	97.3	Very high	95.8	Very high	53 Å²	53	51.1 Å²	51.1	20%	0.201	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-44.6	176.9	173.9	88.1	0	0	0	111.5	R201 P202 F205 N210 A211 I212 V216 K217 S218 Q220 W301	R201-W214 HydrophobicContact CB-CH2 4.44Å; R201-W214 HydrophobicContact CB-CZ2 4.36Å; R201-W214 HydrophobicContact CG-CH2 4.03Å; R201-W214 HydrophobicContact CG-CZ2 4.2Å; P202-W214 VanDerWaalsContact CD-CE2 3.41Å; P202-W214 VanDerWaalsContact CD-CZ2 3.43Å; P202-W214 HydrophobicContact CG-CD2 4.31Å; P202-W214 HydrophobicContact CG-CG 4.33Å; P202-W214 HydrophobicContact CG-CZ2 4.27Å; P202-W214 VanDerWaalsContact CG-NE1 3.32Å; F205-W214 HydrophobicContact CD1-CB 4.43Å; F205-W214 HydrophobicContact CE1-CB 3.8Å; F205-W214 AromaticContact CE1-CD2 3.8Å; F205-W214 HydrophobicContact CE1-CD2 3.8Å; F205-W214 HydrophobicContact CE1-CE3 4.01Å; F205-W214 AromaticContact CE1-CG 3.71Å; F205-W214 HydrophobicContact CE1-CG 3.71Å; F205-W214 HydrophobicContact CZ-CD2 4.03Å; F205-W214 AromaticContact CZ-CE3 3.86Å; F205-W214 HydrophobicContact CZ-CE3 3.86Å; F205-W214 HydrophobicContact CZ-CG 4.42Å; F205-W214 HydrophobicContact CZ-CZ3 4.43Å; N210-W214 WeakPolarHBondContact O-CB 3.21Å; N210-W214 PolarHBondContact O-N 3.32Å; A211-W214 PolarHBondContact O-N 2.8Å; I212-W214 VanDerWaalsContact C-N 3.32Å; I212-W214 PolarHBondContact O-N 2.96Å; W214-V216 PolarHBondContact O-N 2.95Å; W214-K217 PolarHBondContact O-N 3.17Å; W214-S218 VanDerWaalsContact O-CB 3.28Å; W214-S218 WeakPolarHBondContact O-CB 3.1Å; W214-S218 PolarHBondContact O-N 3.48Å; W214-S218 PolarHBondContact O-OG 3.44Å; W214-Q220 VanDerWaalsContact CZ3-OE1 3.26Å; W214-W301 HydrophobicContact CE3-CH2 4.31Å; W214-W301 AromaticContact CH2-CH2 3.95Å; W214-W301 HydrophobicContact CH2-CH2 3.95Å; W214-W301 AromaticContact CH2-CZ2 3.94Å; W214-W301 HydrophobicContact CH2-CZ2 3.94Å; W214-W301 AromaticContact CZ3-CH2 3.54Å; W214-W301 HydrophobicContact CZ3-CH2 3.54Å; W214-W301 AromaticContact CZ3-CZ2 3.87Å; W214-W301 HydrophobicContact CZ3-CZ2 3.87Å
215	S	96.6	Very high	95.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-36.3	-177.7	74.6	0	0	0	0	112.8	A211 I212 S218 Q220 I221 M231	A211-S215 PolarHBondContact O-N 3.38Å; I212-S215 PolarHBondContact O-N 2.6Å; I212-S215 PolarHBondContact O-OG 3.13Å; S215-S218 PolarHBondContact O-OG 2.84Å; S215-Q220 PolarHBondContact O-N 3.37Å; S215-I221 PolarHBondContact O-N 3.17Å; S215-I221 VanDerWaalsContact O-N 3.14Å; S215-M231 WeakPolarHBondContact CB-SD 3.44Å; S215-M231 WeakPolarHBondContact OG-CG 3.34Å
216	V	95.9	Very high	96	Very high	19 Å²	19	51.7 Å²	51.7	12%	0.115	25%	0.253	C	S	.	.	H	α-helix	trans	-77.3	-43.7	177.9	178.6	0	0	0	0	111.4	F41 I212 E213 W214 G219 I221 L224 A227	F41-V216 HydrophobicContact CE1-CB 4.25Å; F41-V216 HydrophobicContact CE1-CG1 4.48Å; F41-V216 HydrophobicContact CE1-CG2 4.4Å; I212-V216 PolarHBondContact O-N 3.36Å; E213-V216 PolarHBondContact O-N 3.14Å; W214-V216 PolarHBondContact O-N 2.95Å; V216-G219 PolarHBondContact O-N 3.37Å; V216-I221 WeakPolarHBondContact CA-O 3.46Å; V216-L224 HydrophobicContact CG2-CD1 3.98Å; V216-A227 HydrophobicContact CG2-CB 3.56Å
217	K	95.5	Very high	96.1	Very high	135 Å²	135	43.5 Å²	43.5	59%	0.587	22%	0.218	S	C	*	.	H	α-helix	trans	-71.2	-32.3	-178.8	-75.3	-177.9	173.5	174.8	0	113.3	E213 W214 G219	E213-K217 HydrophobicContact CG-CD 3.92Å; E213-K217 HydrophobicContact CG-CG 4.43Å; E213-K217 WeakPolarHBondContact O-CB 3.47Å; E213-K217 WeakPolarHBondContact O-CG 3.21Å; E213-K217 PolarHBondContact O-N 3.2Å; E213-K217 WeakPolarHBondContact OE1-CE 3.44Å; E213-K217 IonicContact OE1-NZ 3.02Å; E213-K217 PolarHBondContact OE1-NZ 3.24Å; W214-K217 PolarHBondContact O-N 3.17Å; K217-G219 PolarHBondContact O-N 3.12Å
218	S	93.2	Very high	96.2	Very high	59 Å²	59	44.6 Å²	44.6	41%	0.413	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.2	175.5	69	0	0	0	0	112.5	W214 S215 Q220	W214-S218 VanDerWaalsContact O-CB 3.28Å; W214-S218 WeakPolarHBondContact O-CB 3.1Å; W214-S218 PolarHBondContact O-N 3.48Å; W214-S218 PolarHBondContact O-OG 3.44Å; S215-S218 PolarHBondContact O-OG 2.84Å; S218-Q220 VanDerWaalsContact C-N 3.33Å; S218-Q220 PolarHBondContact OG-N 3.42Å
219	G	91.3	Very high	96.3	Very high	36 Å²	36	43.3 Å²	43.3	37%	0.371	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	12.4	-175.8	0	0	0	0	0	113.9	V216 K217	V216-G219 PolarHBondContact O-N 3.37Å; K217-G219 PolarHBondContact O-N 3.12Å
220	Q	91.1	Very high	96.4	Very high	26 Å²	26	38.8 Å²	38.8	12%	0.121	19%	0.189	C	C	.	.	S	Bend	trans	-62.4	-45.3	173.8	-173.6	-176.7	-66.6	0	0	110.9	W214 S215 S218	W214-Q220 VanDerWaalsContact CZ3-OE1 3.26Å; S215-Q220 PolarHBondContact O-N 3.37Å; S218-Q220 VanDerWaalsContact C-N 3.33Å; S218-Q220 PolarHBondContact OG-N 3.42Å
221	I	94.6	Very high	96.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.			trans	-126.9	119	175.1	-55.8	168.6	0	0	0	107.4	S215 V216 N223 A227 M231 E367	S215-I221 PolarHBondContact O-N 3.17Å; S215-I221 VanDerWaalsContact O-N 3.14Å; V216-I221 WeakPolarHBondContact CA-O 3.46Å; I221-N223 WeakPolarHBondContact CG2-O 3.28Å; I221-A227 HydrophobicContact CB-CB 4.15Å; I221-A227 HydrophobicContact CD1-CB 4.2Å; I221-A227 HydrophobicContact CG2-CB 3.9Å; I221-M231 HydrophobicContact CD1-CG 4Å; I221-M231 HydrophobicContact CD1-SD 3.97Å; I221-E367 HydrophobicContact CG2-CB 4.19Å
222	R	94.3	Very high	96.4	Very high	152 Å²	152	38.3 Å²	38.3	57%	0.574	19%	0.188	S	C	*	.			trans	-82.9	-29.2	-176.9	-60.2	-179.7	174.2	-147.3	-4.6	111.9	Q360 D368	R222-Q360 PolarHBondContact NH1-O 3.14Å; R222-D368 WeakPolarHBondContact CB-OD1 3.09Å; R222-D368 PolarHBondContact N-OD1 2.9Å
223	N	96.6	Very high	96.4	Very high	33 Å²	33	38.5 Å²	38.5	18%	0.176	19%	0.19	C	C	.	.			trans	-85.4	111.1	179.4	-175.9	1.8	0	0	0	111.5	I221 E225 S226 A227 E367	I221-N223 WeakPolarHBondContact CG2-O 3.28Å; N223-E225 VanDerWaalsContact C-N 3.28Å; N223-E225 PolarHBondContact O-N 3.34Å; N223-E225 WeakPolarHBondContact OD1-CB 3.44Å; N223-E225 PolarHBondContact OD1-N 3.26Å; N223-S226 PolarHBondContact O-N 3.25Å; N223-A227 WeakPolarHBondContact O-CB 3.45Å; N223-A227 PolarHBondContact O-N 3.24Å; N223-E367 WeakPolarHBondContact CB-O 3.18Å; N223-E367 PolarHBondContact ND2-O 3.44Å
224	L	97.5	Very high	96.4	Very high	42 Å²	42	35.9 Å²	35.9	22%	0.22	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-34.9	178	176.2	60.1	0	0	0	112.6	R39 F41 I212 V216 A227 R228	R39-L224 HydrophobicContact CB-CD2 4.2Å; R39-L224 HydrophobicContact CG-CD2 4.46Å; F41-L224 HydrophobicContact CD1-CD1 3.4Å; F41-L224 HydrophobicContact CE1-CD1 3.54Å; F41-L224 HydrophobicContact CG-CD1 4.44Å; I212-L224 HydrophobicContact CG2-CD1 4.5Å; V216-L224 HydrophobicContact CG2-CD1 3.98Å; L224-A227 PolarHBondContact O-N 3.27Å; L224-R228 HydrophobicContact CD1-CG 3.97Å; L224-R228 HydrophobicContact CG-CG 4.41Å; L224-R228 VanDerWaalsContact O-CG 3.23Å; L224-R228 WeakPolarHBondContact O-CG 3.42Å; L224-R228 PolarHBondContact O-N 2.84Å; L224-R228 VanDerWaalsContact O-N 3.11Å
225	E	98.2	Very high	96.4	Very high	96 Å²	96	33.5 Å²	33.5	45%	0.449	17%	0.169	S	C	.	.	H	α-helix	trans	-62.4	-48.7	178.5	-177.4	-178.9	175.4	0	0	110.9	Y49 V94 N223 R228	Y49-E225 WeakPolarHBondContact OH-CG 3.49Å; Y49-E225 PolarHBondContact OH-OE1 3.05Å; V94-E225 HydrophobicContact CG2-CG 4.03Å; N223-E225 VanDerWaalsContact C-N 3.28Å; N223-E225 PolarHBondContact O-N 3.34Å; N223-E225 WeakPolarHBondContact OD1-CB 3.44Å; N223-E225 PolarHBondContact OD1-N 3.26Å; E225-R228 PolarHBondContact O-N 3.26Å
226	S	98.3	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-47.6	175.9	-162.4	0	0	0	0	111.3	N223 R228 V229 S230 E367	N223-S226 PolarHBondContact O-N 3.25Å; S226-R228 VanDerWaalsContact C-N 3.26Å; S226-R228 PolarHBondContact O-N 3.24Å; S226-V229 WeakPolarHBondContact O-CG1 3.31Å; S226-V229 PolarHBondContact O-N 3.25Å; S226-V229 VanDerWaalsContact O-N 3.07Å; S226-S230 WeakPolarHBondContact O-CB 3.48Å; S226-S230 PolarHBondContact O-N 3.09Å; S226-S230 PolarHBondContact O-OG 3.38Å; S226-E367 WeakPolarHBondContact OG-CB 3.46Å; S226-E367 WeakPolarHBondContact OG-CG 3.33Å; S226-E367 PolarHBondContact OG-OE2 3.31Å
227	A	98.2	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.6	-38.8	-178.7	0	0	0	0	0	113	I212 V216 I221 N223 L224 V229 M231	I212-A227 HydrophobicContact CG2-CB 4.26Å; V216-A227 HydrophobicContact CG2-CB 3.56Å; I221-A227 HydrophobicContact CB-CB 4.15Å; I221-A227 HydrophobicContact CD1-CB 4.2Å; I221-A227 HydrophobicContact CG2-CB 3.9Å; N223-A227 WeakPolarHBondContact O-CB 3.45Å; N223-A227 PolarHBondContact O-N 3.24Å; L224-A227 PolarHBondContact O-N 3.27Å; A227-V229 VanDerWaalsContact C-N 3.26Å; A227-V229 PolarHBondContact O-N 3.18Å; A227-M231 VanDerWaalsContact O-CB 3.27Å; A227-M231 WeakPolarHBondContact O-CB 3.3Å; A227-M231 WeakPolarHBondContact O-CG 3.38Å; A227-M231 PolarHBondContact O-N 3.05Å
228	R	98.6	Very high	96.2	Very high	56 Å²	56	35.9 Å²	35.9	21%	0.211	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-25.7	-179	-73.2	171.5	71.5	-174.9	11.9	113.7	D40 S42 P43 V44 I212 L224 E225 S226	D40-R228 WeakPolarHBondContact O-CD 3.29Å; D40-R228 IonicContact OD1-NH2 2.77Å; D40-R228 IonicContact OD2-CZ 2.75Å; D40-R228 IonicContact OD2-NH1 3.5Å; D40-R228 IonicContact OD2-NH2 2.78Å; D40-R228 PolarHBondContact OD2-NH2 2.79Å; S42-R228 PolarHBondContact O-NE 3.41Å; S42-R228 PolarHBondContact O-NH2 3.26Å; S42-R228 PolarHBondContact OG-NH2 2.84Å; P43-R228 WeakPolarHBondContact CA-O 3.41Å; V44-R228 HydrophobicContact CB-CB 4.34Å; V44-R228 HydrophobicContact CG2-CB 3.9Å; V44-R228 PolarHBondContact N-O 3.4Å; I212-R228 HydrophobicContact CG2-CB 4.48Å; I212-R228 HydrophobicContact CG2-CG 3.86Å; L224-R228 HydrophobicContact CD1-CG 3.97Å; L224-R228 HydrophobicContact CG-CG 4.41Å; L224-R228 VanDerWaalsContact O-CG 3.23Å; L224-R228 WeakPolarHBondContact O-CG 3.42Å; L224-R228 PolarHBondContact O-N 2.84Å; L224-R228 VanDerWaalsContact O-N 3.11Å; E225-R228 PolarHBondContact O-N 3.26Å; S226-R228 VanDerWaalsContact C-N 3.26Å; S226-R228 PolarHBondContact O-N 3.24Å
229	V	98.4	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-101.2	-38.4	177.7	58.4	0	0	0	0	112.3	V44 Y49 A93 V94 S226 A227 V232	V44-V229 HydrophobicContact CB-CB 4.43Å; Y49-V229 HydrophobicContact CD2-CB 4.24Å; Y49-V229 HydrophobicContact CD2-CG1 4.29Å; Y49-V229 HydrophobicContact CD2-CG2 3.83Å; Y49-V229 HydrophobicContact CE2-CB 3.81Å; Y49-V229 HydrophobicContact CE2-CG1 3.81Å; Y49-V229 HydrophobicContact CE2-CG2 3.93Å; A93-V229 HydrophobicContact CB-CB 4.34Å; A93-V229 HydrophobicContact CB-CG1 3.61Å; A93-V229 HydrophobicContact CB-CG2 3.74Å; V94-V229 HydrophobicContact CG2-CG1 4.42Å; S226-V229 WeakPolarHBondContact O-CG1 3.31Å; S226-V229 PolarHBondContact O-N 3.25Å; S226-V229 VanDerWaalsContact O-N 3.07Å; A227-V229 VanDerWaalsContact C-N 3.26Å; A227-V229 PolarHBondContact O-N 3.18Å; V229-V232 VanDerWaalsContact O-CG2 3.28Å; V229-V232 WeakPolarHBondContact O-CG2 3.46Å
230	S	98.3	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-80.5	-35.3	-171.9	69.4	0	0	0	0	113.4	S226 V232 G233 E367	S226-S230 WeakPolarHBondContact O-CB 3.48Å; S226-S230 PolarHBondContact O-N 3.09Å; S226-S230 PolarHBondContact O-OG 3.38Å; S230-V232 PolarHBondContact O-N 2.98Å; S230-V232 VanDerWaalsContact O-N 3.09Å; S230-G233 PolarHBondContact O-N 3.06Å; S230-E367 WeakPolarHBondContact CB-OE2 3.46Å; S230-E367 PolarHBondContact OG-OE2 3.15Å
231	M	98.3	Very high	91.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-26.1	-176.4	-82.1	-61.8	-59.3	0	0	113.2	A211 I212 S215 I221 A227 G233 Q234 V235 W301	A211-M231 HydrophobicContact CB-CE 4.02Å; I212-M231 HydrophobicContact CG1-CB 3.81Å; I212-M231 HydrophobicContact CG1-CG 4.38Å; S215-M231 WeakPolarHBondContact CB-SD 3.44Å; S215-M231 WeakPolarHBondContact OG-CG 3.34Å; I221-M231 HydrophobicContact CD1-CG 4Å; I221-M231 HydrophobicContact CD1-SD 3.97Å; A227-M231 VanDerWaalsContact O-CB 3.27Å; A227-M231 WeakPolarHBondContact O-CB 3.3Å; A227-M231 WeakPolarHBondContact O-CG 3.38Å; A227-M231 PolarHBondContact O-N 3.05Å; M231-G233 PolarHBondContact O-N 3.26Å; M231-Q234 HydrophobicContact CE-CB 4.46Å; M231-Q234 PolarHBondContact O-N 3.44Å; M231-Q234 HydrophobicContact SD-CB 4.34Å; M231-Q234 HydrophobicContact SD-CG 4.34Å; M231-V235 HydrophobicContact CE-CG1 4.22Å; M231-V235 WeakPolarHBondContact O-CG2 3.5Å; M231-V235 PolarHBondContact O-N 3.12Å; M231-W301 HydrophobicContact CE-CH2 4.47Å; M231-W301 HydrophobicContact CE-CZ3 4.36Å
232	V	97.3	Very high	88.4	Confident	41 Å²	41	53.3 Å²	53.3	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-30	178.4	-38.8	0	0	0	0	112.2	P43 L90 L208 V229 S230	P43-V232 HydrophobicContact CB-CG1 4.12Å; L90-V232 HydrophobicContact CD1-CG2 3.24Å; L208-V232 HydrophobicContact CD1-CB 4.25Å; L208-V232 HydrophobicContact CD1-CG1 4.06Å; L208-V232 HydrophobicContact CD2-CB 4.11Å; L208-V232 HydrophobicContact CD2-CG1 3.68Å; L208-V232 HydrophobicContact CG-CG1 4.21Å; V229-V232 VanDerWaalsContact O-CG2 3.28Å; V229-V232 WeakPolarHBondContact O-CG2 3.46Å; S230-V232 PolarHBondContact O-N 2.98Å; S230-V232 VanDerWaalsContact O-N 3.09Å
233	G	97.2	Very high	85.2	Confident	4 Å²	4	50.9 Å²	50.9	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-85.3	-14.5	176.3	0	0	0	0	0	114.3	S88 S230 M231	S88-G233 WeakPolarHBondContact OG-CA 3.46Å; S230-G233 PolarHBondContact O-N 3.06Å; M231-G233 PolarHBondContact O-N 3.26Å
234	Q	98.1	Very high	82.2	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-88	-15.6	178.7	-54.4	-165.7	18.2	0	0	113	M231 W301 R302	M231-Q234 HydrophobicContact CE-CB 4.46Å; M231-Q234 PolarHBondContact O-N 3.44Å; M231-Q234 HydrophobicContact SD-CB 4.34Å; M231-Q234 HydrophobicContact SD-CG 4.34Å; Q234-W301 HydrophobicContact CB-CZ3 4.33Å; Q234-R302 WeakPolarHBondContact O-CB 3.49Å; Q234-R302 PolarHBondContact O-N 3.16Å
235	V	98	Very high	79.2	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	163.1	179.7	-59.5	0	0	0	0	111.6	F205 L208 A211 M231 Y299 T300 R302	F205-V235 HydrophobicContact CD2-CG1 4.16Å; F205-V235 HydrophobicContact CE2-CG1 4.18Å; L208-V235 HydrophobicContact CD1-CG2 3.67Å; A211-V235 HydrophobicContact CB-CG1 4.31Å; M231-V235 HydrophobicContact CE-CG1 4.22Å; M231-V235 WeakPolarHBondContact O-CG2 3.5Å; M231-V235 PolarHBondContact O-N 3.12Å; V235-Y299 HydrophobicContact CB-CD1 4.22Å; V235-Y299 HydrophobicContact CG2-CD1 3.63Å; V235-Y299 HydrophobicContact CG2-CE1 4.38Å; V235-Y299 HydrophobicContact CG2-CG 4.31Å; V235-T300 CarbonylContact C-O 3.58Å; V235-T300 WeakPolarHBondContact CA-O 3.35Å; V235-T300 WeakPolarHBondContact CB-O 3.28Å; V235-R302 PolarHBondContact O-NE 2.9Å; V235-R302 PolarHBondContact O-NH2 3.33Å
236	K	96.6	Very high	75.8	Confident	59 Å²	59	61.1 Å²	61.1	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155	171	71.3	-173.6	-172.5	87.8	0	109.9	C238 E239 Y299 T300 R302	K236-C238 PolarHBondContact O-N 3Å; K236-E239 IonicContact NZ-OE1 2.66Å; K236-Y299 CarbonylContact O-C 3.52Å; K236-Y299 VanDerWaalsContact O-CA 3.27Å; K236-Y299 WeakPolarHBondContact O-CA 3.43Å; K236-T300 HydrophobicContact CG-CG2 3.88Å; K236-T300 PolarHBondContact N-O 3.01Å; K236-T300 PolarHBondContact O-N 3.34Å; K236-R302 VanDerWaalsContact CB-CZ 3.45Å
237	Q	95.2	Very high	72.5	Confident	115 Å²	115	67 Å²	67	54%	0.537	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	137.2	170.7	-70.8	179	-17	0	0	109.3	E239 Y299	Q237-E239 PolarHBondContact O-N 3.45Å; Q237-Y299 HydrophobicContact CG-CD1 4.19Å; Q237-Y299 HydrophobicContact CG-CE1 3.64Å; Q237-Y299 HydrophobicContact CG-CE2 4.28Å; Q237-Y299 PolarHBondContact NE2-OH 3.19Å
238	C	91.2	Very high	69.3	Low	30 Å²	30	77.1 Å²	77.1	20%	0.203	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-63.1	128.3	167.3	-69.3	0	0	0	0	107.8	K236 G240 P298	K236-C238 PolarHBondContact O-N 3Å; C238-G240 PolarHBondContact O-N 3.32Å; C238-G240 VanDerWaalsContact O-N 3.17Å; C238-P298 HydrophobicContact CB-CG 4.03Å; C238-P298 WeakPolarHBondContact CB-O 3.46Å; C238-P298 PolarHBondContact N-O 2.95Å; C238-P298 PolarHBondContact SG-O 3.36Å
239	E	81.6	Confident	65.9	Low	164 Å²	164	79.2 Å²	79.2	77%	0.766	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-60.8	121.1	170.3	-72.2	159.5	-143.2	0	0	107.4	K236 Q237 I241	K236-E239 IonicContact NZ-OE1 2.66Å; Q237-E239 PolarHBondContact O-N 3.45Å; E239-I241 PolarHBondContact O-N 3Å
240	G	54	Low	62.7	Low	37 Å²	37	86.9 Å²	86.9	38%	0.381	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-58.8	138.7	167.9	0	0	0	0	0	107.7	C238 T242	C238-G240 PolarHBondContact O-N 3.32Å; C238-G240 VanDerWaalsContact O-N 3.17Å; G240-T242 PolarHBondContact O-N 3.18Å
241	I	38.1	Very low	59.4	Low	159 Å²	159	93.1 Å²	93.1	82%	0.815	54%	0.537	S	S	*	.			trans	-62.7	88.8	167.8	-58.5	167.3	0	0	0	106.1	E239 S243	E239-I241 PolarHBondContact O-N 3Å; I241-S243 VanDerWaalsContact C-N 3.34Å; I241-S243 PolarHBondContact O-N 2.95Å; I241-S243 VanDerWaalsContact O-N 3.15Å
242	T	31.8	Very low	56	Low	128 Å²	128	102.4 Å²	102.4	79%	0.785	58%	0.581	S	S	*	*			trans	-71	101.9	156.7	48.5	0	0	0	0	104.7	G240 P244	G240-T242 PolarHBondContact O-N 3.18Å; T242-P244 VanDerWaalsContact O-CD 3.32Å; T242-P244 WeakPolarHBondContact O-CD 3.4Å
243	S	26.6	Very low	52.7	Low	101 Å²	101	103.8 Å²	103.8	71%	0.706	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-48	121.5	175.7	-52.7	0	0	0	0	109.7	I241	I241-S243 VanDerWaalsContact C-N 3.34Å; I241-S243 PolarHBondContact O-N 2.95Å; I241-S243 VanDerWaalsContact O-N 3.15Å
244	P	34.1	Very low	49.5	Very low	117 Å²	117	111.4 Å²	111.4	76%	0.76	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-71.2	132.5	158.5	-5.5	23.1	0	0	0	106.9	T242 G246	T242-P244 VanDerWaalsContact O-CD 3.32Å; T242-P244 WeakPolarHBondContact O-CD 3.4Å; P244-G246 PolarHBondContact O-N 3.26Å
245	E	34.7	Very low	46.3	Very low	197 Å²	197	118.7 Å²	118.7	92%	0.921	68%	0.679	S	S	*	*	S	Bend	trans	-49.8	131.3	169.7	-68.9	178.3	142.9	0	0	111
246	G	27.8	Very low	43.1	Very low	71 Å²	71	127 Å²	127	73%	0.732	72%	0.718	S	S	*	*			trans	79.3	89.8	149.9	0	0	0	0	0	117.1	P244	P244-G246 PolarHBondContact O-N 3.26Å
247	S	27.9	Very low	39.9	Very low	124 Å²	124	133 Å²	133	87%	0.867	75%	0.747	S	S	*	*			trans	-160.8	102.3	140.8	-73.9	0	0	0	0	109.3
248	K	31.7	Very low	36.7	Very low	212 Å²	212	136.1 Å²	136.1	92%	0.922	76%	0.761	S	S	*	*			trans	-71.1	124.9	166	-71.6	177.3	175.1	178.9	0	108.7
249	S	27	Very low	33.8	Very low	101 Å²	101	144 Å²	144	71%	0.706	80%	0.795	S	S	*	*			trans	-174.8	125.1	137	46.9	0	0	0	0	113.7
250	I	30.3	Very low	31.3	Very low	160 Å²	160	145.4 Å²	145.4	82%	0.821	80%	0.801	S	S	*	*			trans	80.6	105.9	141.5	-55.3	161	0	0	0	117.5
251	V	29.6	Very low	30	Very low	131 Å²	131	151.4 Å²	151.4	79%	0.794	83%	0.825	S	S	*	*			trans	-77.4	135.2	161.6	179.5	0	0	0	0	108.9
252	E	28.1	Very low	29.6	Very low	195 Å²	195	153.3 Å²	153.3	91%	0.911	83%	0.83	S	S	*	*			trans	173.7	132	146.5	-102.4	171.9	-172.1	0	0	107.6
253	G	26.6	Very low	29.6	Very low	70 Å²	70	156.7 Å²	156.7	72%	0.722	84%	0.837	S	S	*	*			cis	-162.4	143.1	-0.9	0	0	0	0	0	107.8
254	I	30.9	Very low	29.6	Very low	165 Å²	165	155 Å²	155	85%	0.846	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-103.1	122.9	170.6	-66.3	173.3	0	0	0	105.7
255	I	30.5	Very low	29.4	Very low	154 Å²	154	155 Å²	155	79%	0.79	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-78.6	116.6	170.8	-65.6	171.1	0	0	0	106.4	E257	I255-E257 HydrophobicContact CG2-CG 4.48Å
256	E	30.4	Very low	29.2	Very low	178 Å²	178	155.1 Å²	155.1	83%	0.832	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-79.6	125.8	164.3	-69.7	175.7	161.9	0	0	107.7
257	E	29.4	Very low	29.7	Very low	184 Å²	184	157.2 Å²	157.2	86%	0.86	84%	0.843	S	S	*	*			trans	-110.5	125.3	156.7	-77.8	-170.9	169.7	0	0	107.4	I255	I255-E257 HydrophobicContact CG2-CG 4.48Å
258	E	28.9	Very low	30.1	Very low	181 Å²	181	159.1 Å²	159.1	85%	0.846	84%	0.841	S	S	*	*			trans	-72.7	136.6	-178.2	-60.9	170.9	150.2	0	0	110.6
259	E	30.2	Very low	30.1	Very low	195 Å²	195	154.2 Å²	154.2	91%	0.911	83%	0.834	S	S	*	*			trans	-130.6	127.3	149.5	-78.5	-165.4	164.5	0	0	108.4
260	E	28.1	Very low	30.4	Very low	193 Å²	193	159.2 Å²	159.2	90%	0.902	84%	0.843	S	S	*	*			trans	-71.7	132.8	-174.1	-65.6	174.1	143.9	0	0	111.9
261	D	27.5	Very low	30.4	Very low	164 Å²	164	162.8 Å²	162.8	88%	0.877	85%	0.846	S	S	*	*			trans	-79.7	130.5	167.6	-76.2	-48.1	0	0	0	110.5
262	E	29.8	Very low	30.5	Very low	198 Å²	198	165.5 Å²	165.5	93%	0.925	85%	0.847	S	S	*	*			trans	-105.8	136.8	154	-103	-167.5	173.7	0	0	110.4
263	E	31.2	Very low	30.8	Very low	199 Å²	199	165.5 Å²	165.5	93%	0.93	84%	0.844	S	S	*	*			trans	-66.3	156.3	-163.7	-55.3	179.3	140.2	0	0	115.9
264	G	26.9	Very low	31.3	Very low	67 Å²	67	170.7 Å²	170.7	69%	0.691	85%	0.85	S	S	*	*			trans	165.2	77.9	157.5	0	0	0	0	0	118.2
265	S	30.4	Very low	31.6	Very low	115 Å²	115	169.5 Å²	169.5	80%	0.804	85%	0.845	S	S	*	*			trans	53.9	109.5	147.2	67.1	0	0	0	0	120.6
266	E	29.8	Very low	32.2	Very low	201 Å²	201	169.2 Å²	169.2	94%	0.939	85%	0.845	S	S	*	*				-175.1	94.2	117.4	-102	-177.4	-174.3	0	0	110.4
267	S	38	Very low	33.3	Very low	115 Å²	115	165.1 Å²	165.1	80%	0.804	83%	0.827	S	S	*	*			trans	-102.2	60.6	-179.4	47.3	0	0	0	0	111.7
268	I	37.4	Very low	34.3	Very low	163 Å²	163	165.6 Å²	165.6	84%	0.836	83%	0.829	S	S	*	*	S	Bend	trans	-142.5	91.1	162.8	-68.6	111.2	0	0	0	109.4
269	S	31.7	Very low	35.5	Very low	110 Å²	110	160.6 Å²	160.6	77%	0.769	83%	0.826	S	S	*	*	S	Bend	trans	174.3	-8.6	143.5	65.2	0	0	0	0	114.2	R271	S269-R271 PolarHBondContact O-N 3.03Å
270	K	31.9	Very low	36.6	Very low	205 Å²	205	154.4 Å²	154.4	89%	0.891	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	0.1	179.4	-88.4	-175.8	177.1	176.8	0	116.4
271	R	30.3	Very low	38.5	Very low	236 Å²	236	149.1 Å²	149.1	89%	0.891	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	22.3	177.9	-81.4	-171.6	-175	175.4	2.4	115.2	S269	S269-R271 PolarHBondContact O-N 3.03Å
272	K	32.5	Very low	40.1	Very low	188 Å²	188	145.1 Å²	145.1	82%	0.817	77%	0.766	S	S	*	*	S	Bend	trans	-136.2	74.1	172.5	-91.7	-172.1	172.6	-178.8	0	109.9
273	K	34.9	Very low	41.5	Very low	195 Å²	195	143.4 Å²	143.4	85%	0.848	76%	0.758	S	S	*	*	S	Bend	trans	-171.4	12.2	158.4	-107.9	168.6	-169.5	-172	0	114.6
274	E	35.9	Very low	43	Very low	179 Å²	179	136.3 Å²	136.3	84%	0.836	73%	0.729	S	S	*	*	S	Bend	trans	-106.7	-13.1	173.3	-72.8	-179.4	162.1	0	0	113.1
275	D	37.5	Very low	44.5	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	71%	0.711	S	S	*	*	S	Bend	trans	-93.7	2.2	-174.4	-69.7	-20.2	0	0	0	115.7
276	D	44.1	Very low	45.8	Very low	148 Å²	148	135.4 Å²	135.4	79%	0.791	70%	0.696	S	S	*	*	S	Bend	trans	-99	20.5	-177.9	-75.8	-29.4	0	0	0	114
277	M	53.1	Low	47.3	Very low	92 Å²	92	130.5 Å²	130.5	45%	0.453	68%	0.676	S	S	.	*	S	Bend	trans	-118.4	0	-178.9	-90.8	-93.1	-75.8	0	0	115.1	G279 L280 Q285 L288	M277-G279 PolarHBondContact O-N 3.5Å; M277-L280 HydrophobicContact SD-CD1 4.37Å; M277-Q285 PolarHBondContact O-NE2 2.68Å; M277-Q285 HydrophobicContact SD-CG 4.41Å; M277-L288 HydrophobicContact SD-CD1 4.5Å
278	E	49.3	Very low	48	Very low	195 Å²	195	128.4 Å²	128.4	91%	0.911	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	17.7	-179.4	-74.1	-159.2	152.9	0	0	115.1
279	G	54.8	Low	48.7	Very low	75 Å²	75	125.3 Å²	125.3	77%	0.773	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	3.3	-177.3	0	0	0	0	0	116.6	M277	M277-G279 PolarHBondContact O-N 3.5Å
280	L	53.6	Low	49.5	Very low	66 Å²	66	126.7 Å²	126.7	35%	0.346	63%	0.633	S	S	.	*	S	Bend	trans	-93.4	142.5	-174.4	-79.8	149.4	0	0	0	111.5	M277 T284 Q285 L288	M277-L280 HydrophobicContact SD-CD1 4.37Å; L280-T284 HydrophobicContact CD2-CG2 3.85Å; L280-Q285 HydrophobicContact CB-CG 4Å; L280-L288 HydrophobicContact CD1-CD1 4.27Å
281	P	68.4	Low	50.2	Low	81 Å²	81	121.4 Å²	121.4	53%	0.526	61%	0.614	S	S	.	*			trans	-54.7	142.2	174.2	-22.1	31.7	0	0	0	111	E283 T284 Q285	P281-E283 PolarHBondContact O-N 2.86Å; P281-T284 WeakPolarHBondContact O-CA 3.41Å; P281-T284 WeakPolarHBondContact O-CB 3.37Å; P281-T284 PolarHBondContact O-N 3.45Å; P281-Q285 PolarHBondContact O-N 3.36Å
282	S	61.6	Low	50.8	Low	80 Å²	80	116.3 Å²	116.3	56%	0.559	60%	0.6	S	S	*	*	H	α-helix	trans	-48.7	-36.4	-179.9	148.4	0	0	0	0	113	T284 Q285 N286	S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 PolarHBondContact O-N 3.38Å; S282-Q285 PolarHBondContact O-N 3.5Å; S282-N286 VanDerWaalsContact O-CB 3.26Å; S282-N286 WeakPolarHBondContact O-CB 3.24Å; S282-N286 VanDerWaalsContact O-CG 3.24Å; S282-N286 PolarHBondContact O-N 2.99Å; S282-N286 PolarHBondContact O-ND2 3.25Å; S282-N286 PolarHBondContact OG-ND2 3.23Å
283	E	58.9	Low	51.1	Low	162 Å²	162	111.4 Å²	111.4	76%	0.757	59%	0.586	S	S	*	*	H	α-helix	trans	-66.1	-32.8	176	-68.4	172.8	163.5	0	0	113.2	P281 L287	P281-E283 PolarHBondContact O-N 2.86Å; E283-L287 VanDerWaalsContact O-CB 3.28Å; E283-L287 WeakPolarHBondContact O-CB 3.44Å; E283-L287 PolarHBondContact O-N 3.39Å
284	T	61.8	Low	51.5	Low	51 Å²	51	109.6 Å²	109.6	31%	0.313	58%	0.578	S	S	.	*	H	α-helix	trans	-81.4	-35.1	178.1	-42.6	0	0	0	0	111.8	L280 P281 S282 L287 L288	L280-T284 HydrophobicContact CD2-CG2 3.85Å; P281-T284 WeakPolarHBondContact O-CA 3.41Å; P281-T284 WeakPolarHBondContact O-CB 3.37Å; P281-T284 PolarHBondContact O-N 3.45Å; S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 PolarHBondContact O-N 3.38Å; T284-L287 PolarHBondContact O-N 3.27Å; T284-L288 HydrophobicContact CG2-CD1 4.43Å; T284-L288 WeakPolarHBondContact O-CB 3.4Å; T284-L288 PolarHBondContact O-N 2.97Å
285	Q	59	Low	52.1	Low	69 Å²	69	109 Å²	109	32%	0.322	57%	0.573	S	S	.	*	H	α-helix	trans	-65.6	-41.8	169.1	-76.6	176.5	-4.9	0	0	111.2	M277 L280 P281 S282 L287 L288 L289	M277-Q285 PolarHBondContact O-NE2 2.68Å; M277-Q285 HydrophobicContact SD-CG 4.41Å; L280-Q285 HydrophobicContact CB-CG 4Å; P281-Q285 PolarHBondContact O-N 3.36Å; S282-Q285 PolarHBondContact O-N 3.5Å; Q285-L287 VanDerWaalsContact C-N 3.34Å; Q285-L288 PolarHBondContact O-N 3.46Å; Q285-L289 WeakPolarHBondContact O-CB 3.48Å; Q285-L289 PolarHBondContact O-N 2.66Å
286	N	57.6	Low	53.2	Low	93 Å²	93	108.1 Å²	108.1	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-64.9	-37.4	173.1	-76.8	-39.9	0	0	0	111.7	S282 F290	S282-N286 VanDerWaalsContact O-CB 3.26Å; S282-N286 WeakPolarHBondContact O-CB 3.24Å; S282-N286 VanDerWaalsContact O-CG 3.24Å; S282-N286 PolarHBondContact O-N 2.99Å; S282-N286 PolarHBondContact O-ND2 3.25Å; S282-N286 PolarHBondContact OG-ND2 3.23Å; N286-F290 WeakPolarHBondContact O-CA 3.3Å; N286-F290 WeakPolarHBondContact O-CB 3.44Å; N286-F290 PolarHBondContact O-N 3.33Å
287	L	60.4	Low	54.6	Low	99 Å²	99	105.3 Å²	105.3	52%	0.518	55%	0.55	S	S	.	.	H	α-helix	trans	-68.5	-39.6	174.2	-169.4	69.8	0	0	0	112.1	E283 T284 Q285 F290 L291	E283-L287 VanDerWaalsContact O-CB 3.28Å; E283-L287 WeakPolarHBondContact O-CB 3.44Å; E283-L287 PolarHBondContact O-N 3.39Å; T284-L287 PolarHBondContact O-N 3.27Å; Q285-L287 VanDerWaalsContact C-N 3.34Å; L287-F290 PolarHBondContact O-N 3.47Å; L287-L291 HydrophobicContact CG-CD1 4.08Å; L287-L291 VanDerWaalsContact O-CB 3.24Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 WeakPolarHBondContact O-CD1 3.32Å; L287-L291 WeakPolarHBondContact O-CG 3.16Å; L287-L291 PolarHBondContact O-N 2.87Å
288	L	53.9	Low	56.5	Low	70 Å²	70	103.8 Å²	103.8	37%	0.366	55%	0.547	S	S	.	.	H	α-helix	trans	-69.7	-37.5	175.4	-85.8	159.6	0	0	0	112.2	M277 L280 T284 Q285 L291 Q292	M277-L288 HydrophobicContact SD-CD1 4.5Å; L280-L288 HydrophobicContact CD1-CD1 4.27Å; T284-L288 HydrophobicContact CG2-CD1 4.43Å; T284-L288 WeakPolarHBondContact O-CB 3.4Å; T284-L288 PolarHBondContact O-N 2.97Å; Q285-L288 PolarHBondContact O-N 3.46Å; L288-L291 CarbonylContact O-C 3.6Å; L288-L291 PolarHBondContact O-N 3.4Å; L288-Q292 VanDerWaalsContact O-CB 3.27Å; L288-Q292 WeakPolarHBondContact O-CB 3.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.24Å; L288-Q292 PolarHBondContact O-N 2.89Å
289	L	51.3	Low	58.8	Low	98 Å²	98	96.4 Å²	96.4	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-67.3	-40.8	171.2	-166.4	70.9	0	0	0	110.2	Q285 L291 Q292 T293	Q285-L289 WeakPolarHBondContact O-CB 3.48Å; Q285-L289 PolarHBondContact O-N 2.66Å; L289-L291 PolarHBondContact O-N 2.83Å; L289-Q292 CarbonylContact O-C 3.5Å; L289-Q292 PolarHBondContact O-N 2.82Å; L289-T293 WeakPolarHBondContact O-CB 3.36Å; L289-T293 WeakPolarHBondContact O-CG2 3.32Å; L289-T293 PolarHBondContact O-N 2.8Å; L289-T293 PolarHBondContact O-OG1 2.9Å
290	F	48.9	Very low	60.8	Low	139 Å²	139	94.6 Å²	94.6	61%	0.61	49%	0.485	S	S	*	.	H	α-helix	trans	-63.5	-40.3	174.2	-166.3	-99.5	0	0	0	111.7	N286 L287 T293 K294	N286-F290 WeakPolarHBondContact O-CA 3.3Å; N286-F290 WeakPolarHBondContact O-CB 3.44Å; N286-F290 PolarHBondContact O-N 3.33Å; L287-F290 PolarHBondContact O-N 3.47Å; F290-T293 VanDerWaalsContact C-OG1 3.26Å; F290-T293 WeakPolarHBondContact CA-OG1 3.4Å; F290-T293 PolarHBondContact O-N 3.28Å; F290-T293 PolarHBondContact O-OG1 3.22Å; F290-K294 PolarHBondContact O-N 2.86Å
291	L	45.9	Very low	62.9	Low	94 Å²	94	92.8 Å²	92.8	49%	0.492	47%	0.474	S	S	.	.	H	α-helix	trans	-71.9	-32	174	-71.1	167.7	0	0	0	112.4	L287 L288 L289 K294	L287-L291 HydrophobicContact CG-CD1 4.08Å; L287-L291 VanDerWaalsContact O-CB 3.24Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 WeakPolarHBondContact O-CD1 3.32Å; L287-L291 WeakPolarHBondContact O-CG 3.16Å; L287-L291 PolarHBondContact O-N 2.87Å; L288-L291 CarbonylContact O-C 3.6Å; L288-L291 PolarHBondContact O-N 3.4Å; L289-L291 PolarHBondContact O-N 2.83Å; L291-K294 PolarHBondContact O-N 2.74Å
292	Q	42.2	Very low	64.3	Low	130 Å²	130	91.7 Å²	91.7	61%	0.607	46%	0.459	S	S	*	.	H	α-helix	trans	-73.5	-26.7	169.6	-84.8	177	-29.1	0	0	112.5	L288 L289 K294	L288-Q292 VanDerWaalsContact O-CB 3.27Å; L288-Q292 WeakPolarHBondContact O-CB 3.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.24Å; L288-Q292 PolarHBondContact O-N 2.89Å; L289-Q292 CarbonylContact O-C 3.5Å; L289-Q292 PolarHBondContact O-N 2.82Å; Q292-K294 VanDerWaalsContact C-N 3.3Å
293	T	40.6	Very low	66	Low	85 Å²	85	89 Å²	89	52%	0.521	44%	0.438	S	S	.	.	S	Bend	trans	-80	-5.6	173.1	57.9	0	0	0	0	113.8	L289 F290 K295	L289-T293 WeakPolarHBondContact O-CB 3.36Å; L289-T293 WeakPolarHBondContact O-CG2 3.32Å; L289-T293 PolarHBondContact O-N 2.8Å; L289-T293 PolarHBondContact O-OG1 2.9Å; F290-T293 VanDerWaalsContact C-OG1 3.26Å; F290-T293 WeakPolarHBondContact CA-OG1 3.4Å; F290-T293 PolarHBondContact O-N 3.28Å; F290-T293 PolarHBondContact O-OG1 3.22Å; T293-K295 PolarHBondContact O-N 3.15Å
294	K	43.3	Very low	67.6	Low	157 Å²	157	86.6 Å²	86.6	68%	0.683	43%	0.427	S	S	*	.			trans	-71.1	49.3	154.5	-77.5	-170.6	174.3	-178.2	0	110.6	F290 L291 Q292 D296	F290-K294 PolarHBondContact O-N 2.86Å; L291-K294 PolarHBondContact O-N 2.74Å; Q292-K294 VanDerWaalsContact C-N 3.3Å; K294-D296 PolarHBondContact O-N 2.83Å
295	K	48.6	Very low	69.1	Low	167 Å²	167	84.6 Å²	84.6	73%	0.726	41%	0.414	S	S	*	.			trans	-69.8	107.9	152.8	-82.3	-178.1	177.1	174.3	0	104.7	T293 H297	T293-K295 PolarHBondContact O-N 3.15Å; K295-H297 PolarHBondContact O-N 3.47Å; K295-H297 PolarHBondContact O-ND1 3.34Å; K295-H297 VanDerWaalsContact O-ND1 3.15Å
296	D	59.2	Low	70.8	Confident	120 Å²	120	82.4 Å²	82.4	64%	0.642	41%	0.408	S	S	*	.			trans	-43.2	112.5	167.1	-75.2	-35.3	0	0	0	107.1	K294	K294-D296 PolarHBondContact O-N 2.83Å
297	H	74.6	Confident	72.5	Confident	89 Å²	89	83.8 Å²	83.8	41%	0.412	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-61.2	131.9	177.3	-74.8	52.6	0	0	0	106.2	K295 Y299	K295-H297 PolarHBondContact O-N 3.47Å; K295-H297 PolarHBondContact O-ND1 3.34Å; K295-H297 VanDerWaalsContact O-ND1 3.15Å; H297-Y299 WeakPolarHBondContact O-CD2 3.41Å
298	P	92.8	Very high	74.2	Confident	60 Å²	60	79.3 Å²	79.3	39%	0.39	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-57.8	148.4	-178.9	24.1	-32.1	0	0	0	109	F205 C238	F205-P298 CarbonylContact O-C 3.56Å; F205-P298 WeakPolarHBondContact O-CA 3.48Å; C238-P298 HydrophobicContact CB-CG 4.03Å; C238-P298 WeakPolarHBondContact CB-O 3.46Å; C238-P298 PolarHBondContact N-O 2.95Å; C238-P298 PolarHBondContact SG-O 3.36Å
299	Y	96.8	Very high	76.1	Confident	39 Å²	39	80 Å²	80	15%	0.153	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	148.3	175.8	-73.6	-102.7	0	0	0	109.5	T204 F205 L208 V235 K236 Q237 H297	T204-Y299 CarbonylContact C-O 3.42Å; T204-Y299 WeakPolarHBondContact CA-O 3.32Å; T204-Y299 WeakPolarHBondContact CB-O 3.5Å; F205-Y299 PolarHBondContact N-O 3.49Å; F205-Y299 PolarHBondContact O-N 2.86Å; L208-Y299 HydrophobicContact CB-CE1 4.44Å; L208-Y299 HydrophobicContact CB-CE2 4.29Å; V235-Y299 HydrophobicContact CB-CD1 4.22Å; V235-Y299 HydrophobicContact CG2-CD1 3.63Å; V235-Y299 HydrophobicContact CG2-CE1 4.38Å; V235-Y299 HydrophobicContact CG2-CG 4.31Å; K236-Y299 CarbonylContact O-C 3.52Å; K236-Y299 VanDerWaalsContact O-CA 3.27Å; K236-Y299 WeakPolarHBondContact O-CA 3.43Å; Q237-Y299 HydrophobicContact CG-CD1 4.19Å; Q237-Y299 HydrophobicContact CG-CE1 3.64Å; Q237-Y299 HydrophobicContact CG-CE2 4.28Å; Q237-Y299 PolarHBondContact NE2-OH 3.19Å; H297-Y299 WeakPolarHBondContact O-CD2 3.41Å
300	T	97.6	Very high	78.3	Confident	38 Å²	38	81.9 Å²	81.9	23%	0.233	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	168.2	170.8	-172.3	0	0	0	0	109.6	K203 V235 K236 R302	K203-T300 PolarHBondContact O-OG1 3.06Å; V235-T300 CarbonylContact C-O 3.58Å; V235-T300 WeakPolarHBondContact CA-O 3.35Å; V235-T300 WeakPolarHBondContact CB-O 3.28Å; K236-T300 HydrophobicContact CG-CG2 3.88Å; K236-T300 PolarHBondContact N-O 3.01Å; K236-T300 PolarHBondContact O-N 3.34Å; T300-R302 PolarHBondContact O-N 2.87Å
301	W	97.7	Very high	80.6	Confident	27 Å²	27	77.7 Å²	77.7	10%	0.102	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	137.2	174.7	-64	101.7	0	0	0	110.9	R201 P202 F205 W214 M231 Q234 I303	R201-W301 HydrophobicContact CB-CZ2 3.94Å; R201-W301 HydrophobicContact CG-CZ2 4.29Å; P202-W301 PolarHBondContact O-NE1 3.4Å; F205-W301 AromaticContact CE2-CE2 3.93Å; F205-W301 HydrophobicContact CE2-CH2 4.26Å; F205-W301 AromaticContact CE2-CZ2 3.79Å; F205-W301 HydrophobicContact CE2-CZ2 3.79Å; F205-W301 HydrophobicContact CZ-CH2 4.14Å; F205-W301 AromaticContact CZ-CZ2 3.65Å; F205-W301 HydrophobicContact CZ-CZ2 3.65Å; W214-W301 HydrophobicContact CE3-CH2 4.31Å; W214-W301 AromaticContact CH2-CH2 3.95Å; W214-W301 HydrophobicContact CH2-CH2 3.95Å; W214-W301 AromaticContact CH2-CZ2 3.94Å; W214-W301 HydrophobicContact CH2-CZ2 3.94Å; W214-W301 AromaticContact CZ3-CH2 3.54Å; W214-W301 HydrophobicContact CZ3-CH2 3.54Å; W214-W301 AromaticContact CZ3-CZ2 3.87Å; W214-W301 HydrophobicContact CZ3-CZ2 3.87Å; M231-W301 HydrophobicContact CE-CH2 4.47Å; M231-W301 HydrophobicContact CE-CZ3 4.36Å; Q234-W301 HydrophobicContact CB-CZ3 4.33Å; W301-I303 PolarHBondContact O-N 3.32Å
302	R	97.6	Very high	82.9	Confident	59 Å²	59	73.4 Å²	73.4	22%	0.223	35%	0.349	C	S	.	.	S	Bend	trans	-55.6	-43.6	177.5	177.9	60.2	57.7	162.3	4.3	111.3	G116 E117 Q234 V235 K236 T300	G116-R302 VanDerWaalsContact O-CD 3.27Å; G116-R302 WeakPolarHBondContact O-CD 3.24Å; G116-R302 PolarHBondContact O-NE 3.19Å; G116-R302 PolarHBondContact O-NH1 3.46Å; E117-R302 IonicContact OE1-CZ 2.92Å; E117-R302 IonicContact OE1-NH1 3.82Å; E117-R302 PolarHBondContact OE1-NH1 2.86Å; E117-R302 IonicContact OE1-NH2 2.82Å; E117-R302 PolarHBondContact OE1-NH2 3.03Å; Q234-R302 WeakPolarHBondContact O-CB 3.49Å; Q234-R302 PolarHBondContact O-N 3.16Å; V235-R302 PolarHBondContact O-NE 2.9Å; V235-R302 PolarHBondContact O-NH2 3.33Å; K236-R302 VanDerWaalsContact CB-CZ 3.45Å; T300-R302 PolarHBondContact O-N 2.87Å
303	I	96.5	Very high	85.4	Confident	22 Å²	22	70.3 Å²	70.3	11%	0.113	34%	0.337	C	S	.	.	S	Bend	trans	-134.9	139.1	-179.1	-174.5	174.7	0	0	0	110.2	L126 W301 L305 T308	L126-I303 HydrophobicContact CD1-CD1 4.5Å; L126-I303 HydrophobicContact CD2-CD1 4.09Å; W301-I303 PolarHBondContact O-N 3.32Å; I303-L305 VanDerWaalsContact C-N 3.33Å; I303-L305 PolarHBondContact O-N 3.22Å; I303-L305 VanDerWaalsContact O-N 3.11Å; I303-T308 HydrophobicContact CD1-CG2 4.1Å
304	E	94.2	Very high	88.1	Confident	112 Å²	112	67.8 Å²	67.8	52%	0.523	33%	0.328	S	S	.	.			trans	-83.1	81.1	169.7	-172.1	172.9	-165.1	0	0	109.4	A306 K307	E304-A306 PolarHBondContact O-N 3.12Å; E304-K307 HydrophobicContact CB-CD 4.16Å; E304-K307 HydrophobicContact CB-CG 4.36Å; E304-K307 HydrophobicContact CG-CD 4.3Å; E304-K307 HydrophobicContact CG-CG 4.14Å; E304-K307 WeakPolarHBondContact O-CB 3.25Å; E304-K307 PolarHBondContact O-N 3.35Å; E304-K307 WeakPolarHBondContact OE2-CD 3.41Å; E304-K307 WeakPolarHBondContact OE2-CE 3.45Å; E304-K307 IonicContact OE2-NZ 2.69Å; E304-K307 PolarHBondContact OE2-NZ 2.96Å
305	L	93.4	Very high	90.7	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.052	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-54.1	-28.2	-172.6	-169.3	65.9	0	0	0	113.6	L198 I303 K307 T308	L198-L305 HydrophobicContact CD1-CB 4.04Å; L198-L305 HydrophobicContact CD1-CD2 4.11Å; L198-L305 HydrophobicContact CD1-CG 4.18Å; L198-L305 HydrophobicContact CD2-CB 4.36Å; L198-L305 HydrophobicContact CD2-CD2 4.14Å; I303-L305 VanDerWaalsContact C-N 3.33Å; I303-L305 PolarHBondContact O-N 3.22Å; I303-L305 VanDerWaalsContact O-N 3.11Å; L305-K307 PolarHBondContact O-N 3.35Å; L305-T308 HydrophobicContact CD1-CG2 4.3Å; L305-T308 WeakPolarHBondContact CD1-OG1 3.35Å; L305-T308 WeakPolarHBondContact O-CB 3.19Å; L305-T308 PolarHBondContact O-N 2.78Å; L305-T308 PolarHBondContact O-OG1 3.31Å
306	A	93.1	Very high	92.9	Very high	23 Å²	23	53 Å²	53	19%	0.19	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-58	-30.3	175.5	0	0	0	0	0	113.4	Q195 L198 E304 T308 E309	Q195-A306 PolarHBondContact NE2-O 2.86Å; L198-A306 HydrophobicContact CD1-CB 4.46Å; E304-A306 PolarHBondContact O-N 3.12Å; A306-T308 PolarHBondContact O-N 3.08Å; A306-E309 WeakPolarHBondContact O-CB 3.26Å; A306-E309 PolarHBondContact O-N 3.19Å
307	K	94.8	Very high	94.6	Very high	122 Å²	122	54.6 Å²	54.6	53%	0.53	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-68.2	-17.9	176.2	-72.6	179.5	167.4	153.1	0	113.6	E304 L305 E309 K310	E304-K307 HydrophobicContact CB-CD 4.16Å; E304-K307 HydrophobicContact CB-CG 4.36Å; E304-K307 HydrophobicContact CG-CD 4.3Å; E304-K307 HydrophobicContact CG-CG 4.14Å; E304-K307 WeakPolarHBondContact O-CB 3.25Å; E304-K307 PolarHBondContact O-N 3.35Å; E304-K307 WeakPolarHBondContact OE2-CD 3.41Å; E304-K307 WeakPolarHBondContact OE2-CE 3.45Å; E304-K307 IonicContact OE2-NZ 2.69Å; E304-K307 PolarHBondContact OE2-NZ 2.96Å; L305-K307 PolarHBondContact O-N 3.35Å; K307-E309 VanDerWaalsContact C-N 3.29Å; K307-K310 VanDerWaalsContact O-CE 3.31Å; K307-K310 WeakPolarHBondContact O-CE 3.48Å
308	T	95.4	Very high	95.7	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.025	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-85.4	-1.2	-179.3	73.2	0	0	0	0	113	L126 I303 L305 A306 K310 Y311 W312	L126-T308 HydrophobicContact CD1-CG2 3.86Å; L126-T308 HydrophobicContact CD2-CG2 4.39Å; I303-T308 HydrophobicContact CD1-CG2 4.1Å; L305-T308 HydrophobicContact CD1-CG2 4.3Å; L305-T308 WeakPolarHBondContact CD1-OG1 3.35Å; L305-T308 WeakPolarHBondContact O-CB 3.19Å; L305-T308 PolarHBondContact O-N 2.78Å; L305-T308 PolarHBondContact O-OG1 3.31Å; A306-T308 PolarHBondContact O-N 3.08Å; T308-K310 PolarHBondContact O-N 3.08Å; T308-Y311 WeakPolarHBondContact O-CB 3.28Å; T308-Y311 PolarHBondContact O-N 3.29Å; T308-W312 PolarHBondContact O-NE1 3.37Å; T308-W312 PolarHBondContact OG1-NE1 3.3Å
309	E	94.7	Very high	95.9	Very high	85 Å²	85	49 Å²	49	40%	0.397	24%	0.237	S	C	.	.	H	α-helix	trans	-49.6	-37.4	-177.9	-175.7	175.9	176.8	0	0	113.9	Q195 A306 K307 Y311 W312	Q195-E309 PolarHBondContact NE2-OE2 2.78Å; A306-E309 WeakPolarHBondContact O-CB 3.26Å; A306-E309 PolarHBondContact O-N 3.19Å; K307-E309 VanDerWaalsContact C-N 3.29Å; E309-Y311 PolarHBondContact O-N 2.86Å; E309-Y311 VanDerWaalsContact O-N 3.08Å; E309-W312 HydrophobicContact CB-CD2 4.27Å; E309-W312 HydrophobicContact CB-CE3 4.21Å; E309-W312 HydrophobicContact CB-CH2 4.43Å; E309-W312 HydrophobicContact CB-CZ2 4.41Å; E309-W312 HydrophobicContact CB-CZ3 4.31Å; E309-W312 HydrophobicContact CG-CD2 4.37Å; E309-W312 HydrophobicContact CG-CE3 3.89Å; E309-W312 HydrophobicContact CG-CZ3 4.03Å; E309-W312 PolarHBondContact O-N 2.92Å; E309-W312 VanDerWaalsContact O-N 3.14Å
310	K	95.8	Very high	95.9	Very high	138 Å²	138	47.1 Å²	47.1	60%	0.6	23%	0.23	S	C	*	.	H	α-helix	trans	-58.4	-22	177.7	73.4	-174.8	97.1	156.9	0	114	K307 T308	K307-K310 VanDerWaalsContact O-CE 3.31Å; K307-K310 WeakPolarHBondContact O-CE 3.48Å; T308-K310 PolarHBondContact O-N 3.08Å
311	Y	97.3	Very high	95.9	Very high	51 Å²	51	49.4 Å²	49.4	20%	0.2	24%	0.241	C	C	.	.	H	α-helix	trans	-99.3	-14.6	-178.6	-58.8	-67	0	0	0	113.5	E124 L126 T308 E309 D313 G314 W315	E124-Y311 VanDerWaalsContact O-CE2 3.26Å; E124-Y311 WeakPolarHBondContact O-CE2 3.32Å; E124-Y311 PolarHBondContact O-OH 2.87Å; E124-Y311 VanDerWaalsContact O-OH 3.13Å; L126-Y311 HydrophobicContact CB-CD2 3.98Å; L126-Y311 HydrophobicContact CB-CE2 4.32Å; L126-Y311 WeakPolarHBondContact O-CB 3.22Å; T308-Y311 WeakPolarHBondContact O-CB 3.28Å; T308-Y311 PolarHBondContact O-N 3.29Å; E309-Y311 PolarHBondContact O-N 2.86Å; E309-Y311 VanDerWaalsContact O-N 3.08Å; Y311-D313 VanDerWaalsContact C-N 3.27Å; Y311-D313 PolarHBondContact O-N 3.19Å; Y311-G314 PolarHBondContact O-N 2.86Å; Y311-W315 VanDerWaalsContact O-CD1 3.27Å; Y311-W315 PolarHBondContact O-N 3.48Å; Y311-W315 VanDerWaalsContact O-N 3.1Å
312	W	94.9	Very high	96	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-36.2	-172.6	-64.2	-3.6	0	0	0	112.7	L191 M194 Q195 L198 T308 E309 G314 W315 F316	L191-W312 HydrophobicContact CB-CE3 3.96Å; L191-W312 HydrophobicContact CB-CZ3 4.29Å; L191-W312 HydrophobicContact CD1-CB 4.02Å; L191-W312 HydrophobicContact CD1-CE3 4.4Å; L191-W312 HydrophobicContact CD2-CB 3.98Å; L191-W312 HydrophobicContact CD2-CD2 4.12Å; L191-W312 HydrophobicContact CD2-CE3 3.67Å; L191-W312 HydrophobicContact CD2-CG 4.31Å; L191-W312 HydrophobicContact CD2-CZ3 4.46Å; L191-W312 HydrophobicContact CG-CE3 4.19Å; M194-W312 HydrophobicContact CB-CH2 4.4Å; M194-W312 HydrophobicContact CB-CZ3 4.48Å; M194-W312 HydrophobicContact CG-CH2 4.34Å; M194-W312 HydrophobicContact SD-CH2 4.25Å; M194-W312 HydrophobicContact SD-CZ2 4.39Å; Q195-W312 HydrophobicContact CG-CH2 3.96Å; Q195-W312 HydrophobicContact CG-CZ3 3.9Å; L198-W312 HydrophobicContact CD1-CH2 4.16Å; L198-W312 HydrophobicContact CD1-CZ2 4.26Å; T308-W312 PolarHBondContact O-NE1 3.37Å; T308-W312 PolarHBondContact OG1-NE1 3.3Å; E309-W312 HydrophobicContact CB-CD2 4.27Å; E309-W312 HydrophobicContact CB-CE3 4.21Å; E309-W312 HydrophobicContact CB-CH2 4.43Å; E309-W312 HydrophobicContact CB-CZ2 4.41Å; E309-W312 HydrophobicContact CB-CZ3 4.31Å; E309-W312 HydrophobicContact CG-CD2 4.37Å; E309-W312 HydrophobicContact CG-CE3 3.89Å; E309-W312 HydrophobicContact CG-CZ3 4.03Å; E309-W312 PolarHBondContact O-N 2.92Å; E309-W312 VanDerWaalsContact O-N 3.14Å; W312-G314 PolarHBondContact O-N 3.41Å; W312-W315 HydrophobicContact CB-CE3 4.48Å; W312-W315 AromaticContact CD1-CE3 3.46Å; W312-W315 VanDerWaalsContact CD1-CE3 3.46Å; W312-W315 AromaticContact CD1-CH2 3.48Å; W312-W315 VanDerWaalsContact CD1-CH2 3.48Å; W312-W315 AromaticContact CD1-CZ3 3.1Å; W312-W315 HydrophobicContact CG-CE3 4.19Å; W312-W315 HydrophobicContact CG-CZ3 4.13Å; W312-W315 AromaticContact NE1-CH2 3.61Å; W312-W315 AromaticContact NE1-CZ3 3.37Å; W312-W315 WeakPolarHBondContact O-CB 3.08Å; W312-W315 PolarHBondContact O-N 3.44Å; W312-F316 HydrophobicContact CB-CE2 4.35Å; W312-F316 WeakPolarHBondContact O-CD2 3.23Å; W312-F316 PolarHBondContact O-N 3.24Å
313	D	95.4	Very high	96	Very high	64 Å²	64	47.3 Å²	47.3	34%	0.342	24%	0.236	S	C	.	.	H	α-helix	trans	-59.4	-46.6	174.6	-171.3	79.8	0	0	0	111.5	M188 Y311 W315 F316 R317	M188-D313 VanDerWaalsContact CE-OD1 3.31Å; M188-D313 WeakPolarHBondContact CE-OD1 3.36Å; Y311-D313 VanDerWaalsContact C-N 3.27Å; Y311-D313 PolarHBondContact O-N 3.19Å; D313-W315 VanDerWaalsContact C-N 3.27Å; D313-W315 PolarHBondContact O-N 2.76Å; D313-F316 PolarHBondContact O-N 3.26Å; D313-R317 VanDerWaalsContact CG-NE 3.32Å; D313-R317 WeakPolarHBondContact O-CB 3.5Å; D313-R317 PolarHBondContact O-N 2.97Å; D313-R317 IonicContact OD1-CZ 3.68Å; D313-R317 VanDerWaalsContact OD1-CZ 3.27Å; D313-R317 IonicContact OD1-NE 2.86Å; D313-R317 PolarHBondContact OD1-NE 2.75Å; D313-R317 VanDerWaalsContact OD1-NE 3.08Å; D313-R317 IonicContact OD1-NH2 3.68Å; D313-R317 PolarHBondContact OD1-NH2 3.22Å; D313-R317 IonicContact OD2-CZ 3.55Å; D313-R317 IonicContact OD2-NE 3.39Å; D313-R317 PolarHBondContact OD2-NE 3.39Å; D313-R317 IonicContact OD2-NH2 3.67Å
314	G	96.7	Very high	96.1	Very high	33 Å²	33	47.5 Å²	47.5	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-26.2	177.6	0	0	0	0	0	113.7	H164 Y311 W312	H164-G314 PolarHBondContact NE2-O 3.37Å; Y311-G314 PolarHBondContact O-N 2.86Å; W312-G314 PolarHBondContact O-N 3.41Å
315	W	97.1	Very high	96.3	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.019	24%	0.236	C	C	.	.	H	α-helix	trans	-69.2	-44.5	174.5	-59.6	-12.7	0	0	0	111.9	L126 M131 M157 A160 H164 Y311 W312 D313	L126-W315 HydrophobicContact CB-CZ2 4.08Å; L126-W315 WeakPolarHBondContact O-CZ2 3.08Å; L126-W315 PolarHBondContact O-NE1 3.25Å; M131-W315 HydrophobicContact SD-CZ2 4.49Å; M157-W315 HydrophobicContact CB-CE3 4.24Å; M157-W315 HydrophobicContact CB-CZ3 4.15Å; M157-W315 HydrophobicContact CG-CD2 4.12Å; M157-W315 HydrophobicContact CG-CE3 3.83Å; M157-W315 HydrophobicContact CG-CH2 3.95Å; M157-W315 HydrophobicContact CG-CZ2 4.24Å; M157-W315 HydrophobicContact CG-CZ3 3.73Å; M157-W315 HydrophobicContact SD-CH2 3.69Å; M157-W315 HydrophobicContact SD-CZ2 4.08Å; M157-W315 HydrophobicContact SD-CZ3 3.99Å; A160-W315 HydrophobicContact CB-CB 4.17Å; A160-W315 VanDerWaalsContact CB-O 3.3Å; A160-W315 WeakPolarHBondContact CB-O 3.19Å; H164-W315 PolarHBondContact NE2-O 3.46Å; Y311-W315 VanDerWaalsContact O-CD1 3.27Å; Y311-W315 PolarHBondContact O-N 3.48Å; Y311-W315 VanDerWaalsContact O-N 3.1Å; W312-W315 HydrophobicContact CB-CE3 4.48Å; W312-W315 AromaticContact CD1-CE3 3.46Å; W312-W315 VanDerWaalsContact CD1-CE3 3.46Å; W312-W315 AromaticContact CD1-CH2 3.48Å; W312-W315 VanDerWaalsContact CD1-CH2 3.48Å; W312-W315 AromaticContact CD1-CZ3 3.1Å; W312-W315 HydrophobicContact CG-CE3 4.19Å; W312-W315 HydrophobicContact CG-CZ3 4.13Å; W312-W315 AromaticContact NE1-CH2 3.61Å; W312-W315 AromaticContact NE1-CZ3 3.37Å; W312-W315 WeakPolarHBondContact O-CB 3.08Å; W312-W315 PolarHBondContact O-N 3.44Å; D313-W315 VanDerWaalsContact C-N 3.27Å; D313-W315 PolarHBondContact O-N 2.76Å
316	F	95.6	Very high	96.6	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-108.3	-23.8	-165.7	-54	-60.2	0	0	0	115	A160 V182 E184 A187 M188 L191 W312 D313 G318 L319	A160-F316 HydrophobicContact CB-CD1 4.21Å; A160-F316 HydrophobicContact CB-CE1 4.12Å; V182-F316 HydrophobicContact CG1-CD1 4Å; V182-F316 HydrophobicContact CG1-CE1 3.92Å; E184-F316 VanDerWaalsContact CG-O 3.23Å; E184-F316 WeakPolarHBondContact CG-O 3.21Å; A187-F316 HydrophobicContact CB-CB 4.3Å; A187-F316 HydrophobicContact CB-CD1 4.05Å; A187-F316 HydrophobicContact CB-CD2 4.23Å; A187-F316 HydrophobicContact CB-CE1 4.48Å; A187-F316 HydrophobicContact CB-CG 3.93Å; M188-F316 HydrophobicContact SD-CB 4.04Å; L191-F316 HydrophobicContact CD2-CD2 4.09Å; L191-F316 HydrophobicContact CD2-CE2 3.96Å; W312-F316 HydrophobicContact CB-CE2 4.35Å; W312-F316 WeakPolarHBondContact O-CD2 3.23Å; W312-F316 PolarHBondContact O-N 3.24Å; D313-F316 PolarHBondContact O-N 3.26Å; F316-G318 PolarHBondContact O-N 2.79Å; F316-L319 HydrophobicContact CD1-CD2 4.04Å; F316-L319 WeakPolarHBondContact O-CB 3.33Å; F316-L319 PolarHBondContact O-N 3.18Å; F316-L319 VanDerWaalsContact O-N 3.08Å
317	R	95.8	Very high	96.8	Very high	153 Å²	153	50.6 Å²	50.6	58%	0.577	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	125.6	-178.6	-179.7	178.1	-67.1	-77.7	-4.4	111.1	D313 L319	D313-R317 VanDerWaalsContact CG-NE 3.32Å; D313-R317 WeakPolarHBondContact O-CB 3.5Å; D313-R317 PolarHBondContact O-N 2.97Å; D313-R317 IonicContact OD1-CZ 3.68Å; D313-R317 VanDerWaalsContact OD1-CZ 3.27Å; D313-R317 IonicContact OD1-NE 2.86Å; D313-R317 PolarHBondContact OD1-NE 2.75Å; D313-R317 VanDerWaalsContact OD1-NE 3.08Å; D313-R317 IonicContact OD1-NH2 3.68Å; D313-R317 PolarHBondContact OD1-NH2 3.22Å; D313-R317 IonicContact OD2-CZ 3.55Å; D313-R317 IonicContact OD2-NE 3.39Å; D313-R317 PolarHBondContact OD2-NE 3.39Å; D313-R317 IonicContact OD2-NH2 3.67Å; R317-L319 PolarHBondContact O-N 3.07Å
318	G	96.6	Very high	97	Very high	29 Å²	29	46.4 Å²	46.4	30%	0.299	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	5	-177	0	0	0	0	0	114.8	E184 F316 S320 N321 L322	E184-G318 PolarHBondContact OE1-N 3.22Å; E184-G318 WeakPolarHBondContact OE2-CA 3.49Å; E184-G318 PolarHBondContact OE2-N 3.21Å; F316-G318 PolarHBondContact O-N 2.79Å; G318-S320 VanDerWaalsContact C-N 3.27Å; G318-S320 PolarHBondContact O-N 3.47Å; G318-N321 PolarHBondContact O-N 3.06Å; G318-L322 WeakPolarHBondContact O-CB 3.4Å; G318-L322 PolarHBondContact O-N 2.85Å
319	L	97.5	Very high	97.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-36.2	-172.7	-176.7	67.1	0	0	0	112.3	A160 V163 M179 V182 E184 F316 R317 L322 F323	A160-L319 HydrophobicContact CB-CD1 4.12Å; A160-L319 HydrophobicContact CB-CD2 3.83Å; V163-L319 HydrophobicContact CB-CD1 3.65Å; V163-L319 HydrophobicContact CG1-CD1 3.77Å; V163-L319 HydrophobicContact CG2-CD1 3.92Å; M179-L319 HydrophobicContact CE-CD2 3.78Å; M179-L319 HydrophobicContact CE-CG 4.11Å; V182-L319 HydrophobicContact CG1-CD2 3.7Å; E184-L319 HydrophobicContact CB-CB 4.47Å; E184-L319 PolarHBondContact OE2-N 2.98Å; E184-L319 VanDerWaalsContact OE2-N 3.08Å; F316-L319 HydrophobicContact CD1-CD2 4.04Å; F316-L319 WeakPolarHBondContact O-CB 3.33Å; F316-L319 PolarHBondContact O-N 3.18Å; F316-L319 VanDerWaalsContact O-N 3.08Å; R317-L319 PolarHBondContact O-N 3.07Å; L319-L322 PolarHBondContact O-N 3.45Å; L319-F323 WeakPolarHBondContact O-CB 3.49Å; L319-F323 PolarHBondContact O-N 3.32Å
320	S	97.1	Very high	97.3	Very high	1 Å²	1	45 Å²	45	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-44.9	-179	-71.7	0	0	0	0	111.5	E184 G318 L324 D341 L344	E184-S320 WeakPolarHBondContact CB-OG 3.18Å; E184-S320 PolarHBondContact OE2-N 2.9Å; G318-S320 VanDerWaalsContact C-N 3.27Å; G318-S320 PolarHBondContact O-N 3.47Å; S320-L324 VanDerWaalsContact O-CG 3.24Å; S320-L324 WeakPolarHBondContact O-CG 3.36Å; S320-L324 PolarHBondContact O-N 3.5Å; S320-L324 VanDerWaalsContact O-N 3.11Å; S320-D341 WeakPolarHBondContact CB-OD2 2.99Å; S320-D341 PolarHBondContact OG-OD2 3.15Å; S320-L344 WeakPolarHBondContact OG-CG 3.39Å
321	N	97.8	Very high	97.4	Very high	86 Å²	86	38.5 Å²	38.5	46%	0.46	22%	0.219	S	C	.	.	H	α-helix	trans	-70.6	-34.9	176.1	-72	-56.4	0	0	0	112.3	G318 L324 S325 D343	G318-N321 PolarHBondContact O-N 3.06Å; N321-L324 PolarHBondContact O-N 2.72Å; N321-S325 PolarHBondContact O-N 2.78Å; N321-D343 PolarHBondContact ND2-OD2 3.19Å
322	L	98.3	Very high	97.4	Very high	42 Å²	42	36 Å²	36	22%	0.22	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-40.8	176.5	-161.3	66.7	0	0	0	111.9	V163 S167 G318 L319 S325 C326	V163-L322 HydrophobicContact CG1-CB 3.92Å; V163-L322 HydrophobicContact CG1-CD2 3.97Å; V163-L322 HydrophobicContact CG1-CG 3.83Å; S167-L322 WeakPolarHBondContact OG-CD1 3.47Å; G318-L322 WeakPolarHBondContact O-CB 3.4Å; G318-L322 PolarHBondContact O-N 2.85Å; L319-L322 PolarHBondContact O-N 3.45Å; L322-S325 PolarHBondContact O-N 3.38Å; L322-S325 PolarHBondContact O-OG 3.34Å; L322-C326 PolarHBondContact O-N 3.37Å; L322-C326 PolarHBondContact O-SG 2.76Å
323	F	98.6	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-45.7	171.5	170.6	-107.5	0	0	0	110.9	V163 L177 M179 L319 S325 C326 K330 L344 F353	V163-F323 HydrophobicContact CG1-CB 4.15Å; V163-F323 HydrophobicContact CG2-CB 4.14Å; V163-F323 HydrophobicContact CG2-CD2 4.12Å; L177-F323 HydrophobicContact CD2-CD2 3.77Å; L177-F323 HydrophobicContact CD2-CE2 4.13Å; L177-F323 HydrophobicContact CG-CD2 4.36Å; L177-F323 HydrophobicContact CG-CE2 4.28Å; M179-F323 HydrophobicContact CG-CD2 4.07Å; M179-F323 HydrophobicContact CG-CE2 4.13Å; M179-F323 HydrophobicContact SD-CB 3.84Å; M179-F323 HydrophobicContact SD-CD1 4.39Å; M179-F323 HydrophobicContact SD-CD2 3.29Å; M179-F323 WeakPolarHBondContact SD-CD2 3.24Å; M179-F323 HydrophobicContact SD-CE2 3.81Å; M179-F323 HydrophobicContact SD-CG 3.6Å; M179-F323 VanDerWaalsContact SD-CG 3.6Å; L319-F323 WeakPolarHBondContact O-CB 3.49Å; L319-F323 PolarHBondContact O-N 3.32Å; F323-S325 VanDerWaalsContact C-N 3.29Å; F323-S325 PolarHBondContact O-N 2.91Å; F323-C326 PolarHBondContact O-N 2.76Å; F323-K330 HydrophobicContact CD1-CD 4.36Å; F323-K330 HydrophobicContact CD2-CD 3.94Å; F323-K330 HydrophobicContact CD2-CG 4.32Å; F323-K330 HydrophobicContact CE1-CB 4.38Å; F323-K330 HydrophobicContact CE1-CD 4.19Å; F323-K330 HydrophobicContact CE2-CB 3.8Å; F323-K330 HydrophobicContact CE2-CD 3.76Å; F323-K330 HydrophobicContact CE2-CG 3.74Å; F323-K330 HydrophobicContact CG-CD 4.27Å; F323-K330 HydrophobicContact CZ-CB 3.59Å; F323-K330 HydrophobicContact CZ-CD 3.92Å; F323-K330 HydrophobicContact CZ-CG 3.99Å; F323-K330 WeakPolarHBondContact O-CD 3.27Å; F323-L344 HydrophobicContact CD1-CD2 3.79Å; F323-L344 HydrophobicContact CE1-CD2 4.33Å; F323-F353 HydrophobicContact CE1-CB 3.98Å; F323-F353 AromaticContact CE1-CD1 3.87Å; F323-F353 HydrophobicContact CE1-CD1 3.87Å; F323-F353 HydrophobicContact CE1-CD2 4.03Å; F323-F353 HydrophobicContact CE1-CE1 4.33Å; F323-F353 HydrophobicContact CE1-CE2 4.48Å; F323-F353 AromaticContact CE1-CG 3.71Å; F323-F353 HydrophobicContact CE1-CG 3.71Å; F323-F353 HydrophobicContact CZ-CB 4.07Å; F323-F353 HydrophobicContact CZ-CD2 4.34Å; F323-F353 HydrophobicContact CZ-CG 4.17Å
324	L	98.4	Very high	97.3	Very high	26 Å²	26	32.8 Å²	32.8	14%	0.136	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-27.8	180	-68.4	172.9	0	0	0	113.6	S320 N321 L344 K352 F353	S320-L324 VanDerWaalsContact O-CG 3.24Å; S320-L324 WeakPolarHBondContact O-CG 3.36Å; S320-L324 PolarHBondContact O-N 3.5Å; S320-L324 VanDerWaalsContact O-N 3.11Å; N321-L324 PolarHBondContact O-N 2.72Å; L324-L344 HydrophobicContact CD1-CD2 4.32Å; L324-L344 HydrophobicContact CD2-CD2 4.32Å; L324-L344 HydrophobicContact CG-CD2 4.11Å; L324-K352 HydrophobicContact CD2-CB 4.02Å; L324-K352 HydrophobicContact CD2-CD 4.15Å; L324-F353 HydrophobicContact CD2-CD1 3.69Å; L324-F353 HydrophobicContact CD2-CE1 3.85Å
325	S	98.4	Very high	96.8	Very high	73 Å²	73	31.8 Å²	31.8	51%	0.51	18%	0.18	S	C	.	.	H	α-helix	trans	-77.9	-21.3	-179.4	71.9	0	0	0	0	113.5	N321 L322 F323 P327	N321-S325 PolarHBondContact O-N 2.78Å; L322-S325 PolarHBondContact O-N 3.38Å; L322-S325 PolarHBondContact O-OG 3.34Å; F323-S325 VanDerWaalsContact C-N 3.29Å; F323-S325 PolarHBondContact O-N 2.91Å; S325-P327 WeakPolarHBondContact O-CD 3.09Å
326	C	98.4	Very high	95.9	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.014	19%	0.185	C	C	.	.			trans	-61.8	116.8	179.4	-69	0	0	0	0	110.7	L177 L322 F323 I328 K330	L177-C326 HydrophobicContact CD2-CB 4.45Å; L322-C326 PolarHBondContact O-N 3.37Å; L322-C326 PolarHBondContact O-SG 2.76Å; F323-C326 PolarHBondContact O-N 2.76Å; C326-I328 HydrophobicContact CB-CG1 4.2Å; C326-I328 PolarHBondContact O-N 3.34Å; C326-K330 HydrophobicContact CB-CD 4.37Å; C326-K330 PolarHBondContact O-NZ 3.05Å
327	P	97.9	Very high	94.5	Very high	135 Å²	135	36.5 Å²	36.5	88%	0.877	21%	0.213	S	C	*	.			trans	-83	42.6	-170.9	35.5	-37.5	0	0	0	113.2	S325	S325-P327 WeakPolarHBondContact O-CD 3.09Å
328	I	98.4	Very high	93.3	Very high	34 Å²	34	35.5 Å²	35.5	17%	0.174	22%	0.219	C	C	.	.	S	Bend	trans	-128.8	160.3	179.6	54.2	179.3	0	0	0	110.3	A166 L174 L177 C326 K330	A166-I328 HydrophobicContact CB-CD1 4.49Å; L174-I328 HydrophobicContact CD2-CD1 3.5Å; L174-I328 HydrophobicContact CG-CD1 3.76Å; L177-I328 HydrophobicContact CB-CD1 3.81Å; L177-I328 HydrophobicContact CB-CG1 4.41Å; C326-I328 HydrophobicContact CB-CG1 4.2Å; C326-I328 PolarHBondContact O-N 3.34Å; I328-K330 WeakPolarHBondContact O-CG 3.27Å; I328-K330 PolarHBondContact O-N 2.78Å; I328-K330 PolarHBondContact O-NZ 3.37Å
329	P	98.7	Very high	92.2	Very high	43 Å²	43	37.4 Å²	37.4	28%	0.279	22%	0.217	S	C	.	.			trans	-55	136.5	168.7	-31.3	41	0	0	0	112.1	L175 G176 L177 F380 F386	L175-P329 WeakPolarHBondContact O-CD 3.24Å; G176-P329 WeakPolarHBondContact CA-O 3.29Å; L177-P329 PolarHBondContact N-O 2.97Å; L177-P329 VanDerWaalsContact N-O 3.09Å; P329-F380 HydrophobicContact CB-CE1 4.45Å; P329-F380 HydrophobicContact CB-CE2 4.28Å; P329-F380 HydrophobicContact CB-CZ 3.61Å; P329-F386 HydrophobicContact CB-CE2 4.21Å; P329-F386 HydrophobicContact CB-CZ 4.3Å; P329-F386 HydrophobicContact CG-CE2 4.3Å; P329-F386 HydrophobicContact CG-CZ 3.89Å
330	K	98.7	Very high	91.7	Very high	17 Å²	17	39.2 Å²	39.2	7%	0.074	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.4	-170.7	-77.8	173.3	-59.1	-68.6	0	111.6	L177 F323 C326 I328 K352 F353 Q354	L177-K330 HydrophobicContact CB-CG 4.37Å; L177-K330 CarbonylContact O-C 3.47Å; L177-K330 VanDerWaalsContact O-CA 3.3Å; L177-K330 WeakPolarHBondContact O-CA 3.39Å; F323-K330 HydrophobicContact CD1-CD 4.36Å; F323-K330 HydrophobicContact CD2-CD 3.94Å; F323-K330 HydrophobicContact CD2-CG 4.32Å; F323-K330 HydrophobicContact CE1-CB 4.38Å; F323-K330 HydrophobicContact CE1-CD 4.19Å; F323-K330 HydrophobicContact CE2-CB 3.8Å; F323-K330 HydrophobicContact CE2-CD 3.76Å; F323-K330 HydrophobicContact CE2-CG 3.74Å; F323-K330 HydrophobicContact CG-CD 4.27Å; F323-K330 HydrophobicContact CZ-CB 3.59Å; F323-K330 HydrophobicContact CZ-CD 3.92Å; F323-K330 HydrophobicContact CZ-CG 3.99Å; F323-K330 WeakPolarHBondContact O-CD 3.27Å; C326-K330 HydrophobicContact CB-CD 4.37Å; C326-K330 PolarHBondContact O-NZ 3.05Å; I328-K330 WeakPolarHBondContact O-CG 3.27Å; I328-K330 PolarHBondContact O-N 2.78Å; I328-K330 PolarHBondContact O-NZ 3.37Å; K330-K352 WeakPolarHBondContact CE-O 3.4Å; K330-F353 HydrophobicContact CB-CB 3.61Å; K330-Q354 PolarHBondContact O-N 3.34Å
331	L	98.6	Very high	91.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.8	175.1	-178.5	62.2	0	0	0	109.9	L177 C178 M179 L333 Q354 V377 F380	L177-L331 PolarHBondContact O-N 3.44Å; C178-L331 CarbonylContact C-O 3.58Å; C178-L331 VanDerWaalsContact CA-O 3.24Å; C178-L331 WeakPolarHBondContact CA-O 3.37Å; C178-L331 HydrophobicContact CB-CB 4.08Å; C178-L331 HydrophobicContact CB-CD2 4.43Å; M179-L331 PolarHBondContact N-O 2.84Å; L331-L333 HydrophobicContact CD1-CD2 3.97Å; L331-L333 HydrophobicContact CD2-CD1 4.47Å; L331-L333 HydrophobicContact CD2-CD2 4.09Å; L331-L333 HydrophobicContact CD2-CG 4.27Å; L331-L333 HydrophobicContact CG-CD2 3.97Å; L331-L333 HydrophobicContact CG-CG 4.19Å; L331-Q354 CarbonylContact C-O 3.5Å; L331-Q354 WeakPolarHBondContact CA-O 3.42Å; L331-Q354 HydrophobicContact CD1-CB 4.07Å; L331-Q354 HydrophobicContact CD1-CG 3.99Å; L331-V377 HydrophobicContact CD2-CG2 4.22Å; L331-F380 HydrophobicContact CB-CD2 3.92Å; L331-F380 HydrophobicContact CB-CE2 3.98Å; L331-F380 HydrophobicContact CB-CG 4.27Å; L331-F380 HydrophobicContact CB-CZ 4.37Å; L331-F380 HydrophobicContact CD1-CD2 4.28Å; L331-F380 HydrophobicContact CD2-CB 3.98Å; L331-F380 HydrophobicContact CD2-CD2 4.43Å; L331-F380 HydrophobicContact CD2-CG 4.14Å; L331-F380 HydrophobicContact CG-CD2 4.44Å
332	L	97.5	Very high	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.4	171.1	-177.1	66.5	0	0	0	109.3	M179 L334 L340 L344 F353 Q354 M355 Q356	M179-L332 HydrophobicContact CB-CD1 3.76Å; M179-L332 WeakPolarHBondContact O-CA 3.33Å; L332-L334 HydrophobicContact CD1-CD2 4.08Å; L332-L334 HydrophobicContact CD2-CD1 4.08Å; L332-L334 HydrophobicContact CD2-CD2 4.2Å; L332-L334 HydrophobicContact CD2-CG 4.18Å; L332-L334 HydrophobicContact CG-CD1 4.47Å; L332-L334 HydrophobicContact CG-CD2 4.03Å; L332-L334 HydrophobicContact CG-CG 4.03Å; L332-L340 HydrophobicContact CD2-CD2 3.75Å; L332-L344 HydrophobicContact CD2-CD1 4Å; L332-F353 HydrophobicContact CB-CD2 3.73Å; L332-F353 HydrophobicContact CB-CE2 3.64Å; L332-F353 HydrophobicContact CD2-CD2 4.45Å; L332-F353 HydrophobicContact CD2-CE2 3.56Å; L332-F353 HydrophobicContact CD2-CZ 4.05Å; L332-F353 HydrophobicContact CG-CE2 4.25Å; L332-Q354 PolarHBondContact N-O 2.87Å; L332-M355 VanDerWaalsContact O-CA 3.31Å; L332-M355 WeakPolarHBondContact O-CA 3.29Å; L332-Q356 PolarHBondContact O-N 3.35Å
333	L	95.9	Very high	90.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.7	175.4	-57.2	-177.2	0	0	0	109.4	M179 I180 D181 L331 Q356 V373 A376 V377	M179-L333 PolarHBondContact O-N 3.02Å; I180-L333 WeakPolarHBondContact CA-O 3.49Å; I180-L333 HydrophobicContact CD1-CD1 4.04Å; I180-L333 HydrophobicContact CG1-CB 4.26Å; I180-L333 HydrophobicContact CG1-CD1 4.17Å; I180-L333 HydrophobicContact CG2-CB 4.33Å; D181-L333 PolarHBondContact N-O 2.79Å; L331-L333 HydrophobicContact CD1-CD2 3.97Å; L331-L333 HydrophobicContact CD2-CD1 4.47Å; L331-L333 HydrophobicContact CD2-CD2 4.09Å; L331-L333 HydrophobicContact CD2-CG 4.27Å; L331-L333 HydrophobicContact CG-CD2 3.97Å; L331-L333 HydrophobicContact CG-CG 4.19Å; L333-Q356 WeakPolarHBondContact CA-O 3.33Å; L333-Q356 HydrophobicContact CD2-CB 3.75Å; L333-Q356 HydrophobicContact CD2-CG 4.35Å; L333-V373 HydrophobicContact CD1-CG1 3.86Å; L333-A376 HydrophobicContact CD1-CB 4.33Å; L333-A376 HydrophobicContact CD2-CB 3.8Å; L333-V377 HydrophobicContact CD1-CG2 4.47Å
334	L	92	Very high	90.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.9	-178.4	-61.2	176.7	0	0	0	111.5	V183 L332 G336 R339 L340 M355 Q356 V357 L358	V183-L334 HydrophobicContact CG2-CD2 3.88Å; L332-L334 HydrophobicContact CD1-CD2 4.08Å; L332-L334 HydrophobicContact CD2-CD1 4.08Å; L332-L334 HydrophobicContact CD2-CD2 4.2Å; L332-L334 HydrophobicContact CD2-CG 4.18Å; L332-L334 HydrophobicContact CG-CD1 4.47Å; L332-L334 HydrophobicContact CG-CD2 4.03Å; L332-L334 HydrophobicContact CG-CG 4.03Å; L334-G336 WeakPolarHBondContact CB-O 3.17Å; L334-G336 PolarHBondContact O-N 3.27Å; L334-R339 HydrophobicContact CD1-CB 4.43Å; L334-R339 HydrophobicContact CD2-CB 4.38Å; L334-L340 HydrophobicContact CD1-CD2 3.8Å; L334-L340 HydrophobicContact CD1-CG 3.97Å; L334-M355 HydrophobicContact CD1-SD 4Å; L334-Q356 PolarHBondContact N-O 2.62Å; L334-V357 CarbonylContact O-C 3.59Å; L334-V357 WeakPolarHBondContact O-CA 3.1Å; L334-L358 PolarHBondContact O-N 2.99Å
335	A	85.9	Confident	90.6	Very high	11 Å²	11	45.5 Å²	45.5	9%	0.091	25%	0.254	C	S	.	.	S	Bend	trans	-71.6	-19.1	169.9	0	0	0	0	0	113	D181 C361 V365	D181-A335 PolarHBondContact OD1-N 2.74Å; D181-A335 VanDerWaalsContact OD1-N 3.14Å; A335-C361 HydrophobicContact CB-CB 4.42Å; A335-V365 HydrophobicContact CB-CG2 3.84Å
336	G	77.9	Confident	90.5	Very high	12 Å²	12	45.6 Å²	45.6	12%	0.124	25%	0.248	C	C	.	.			trans	-159.1	150.4	-179.8	0	0	0	0	0	112.7	L334 D338	L334-G336 WeakPolarHBondContact CB-O 3.17Å; L334-G336 PolarHBondContact O-N 3.27Å; G336-D338 VanDerWaalsContact C-N 3.26Å; G336-D338 WeakPolarHBondContact CA-OD1 3.44Å; G336-D338 PolarHBondContact O-N 3.1Å
337	V	65.3	Low	90.4	Very high	102 Å²	102	45.5 Å²	45.5	62%	0.618	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-70.1	-22.3	179.1	-73.8	0	0	0	0	113.4	R339 V357	V337-R339 PolarHBondContact O-N 2.84Å; V337-V357 HydrophobicContact CG1-CB 4.4Å; V337-V357 HydrophobicContact CG1-CG1 4.19Å; V337-V357 HydrophobicContact CG1-CG2 3.56Å
338	D	71.4	Confident	90.2	Very high	132 Å²	132	41.5 Å²	41.5	71%	0.706	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-68	0.2	179.9	58.4	-40.4	0	0	0	113.5	G336	G336-D338 VanDerWaalsContact C-N 3.26Å; G336-D338 WeakPolarHBondContact CA-OD1 3.44Å; G336-D338 PolarHBondContact O-N 3.1Å
339	R	73.1	Confident	90	Very high	68 Å²	68	47.7 Å²	47.7	26%	0.257	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-96.5	-13.9	-175.3	-59.2	-168.2	-179.9	-154.8	16.9	114.9	D181 V183 T186 L334 V337	D181-R339 WeakPolarHBondContact OD1-CD 3.18Å; D181-R339 IonicContact OD1-CZ 3.51Å; D181-R339 IonicContact OD1-NE 3.8Å; D181-R339 IonicContact OD1-NH1 3.77Å; D181-R339 PolarHBondContact OD1-NH1 2.71Å; D181-R339 IonicContact OD1-NH2 3.83Å; D181-R339 IonicContact OD2-CZ 3.43Å; D181-R339 IonicContact OD2-NH1 3.17Å; D181-R339 PolarHBondContact OD2-NH1 2.95Å; D181-R339 IonicContact OD2-NH2 3.87Å; V183-R339 WeakPolarHBondContact CB-O 3.42Å; V183-R339 WeakPolarHBondContact CG1-O 3.28Å; V183-R339 HydrophobicContact CG2-CB 4.39Å; V183-R339 WeakPolarHBondContact CG2-O 3.06Å; T186-R339 WeakPolarHBondContact CG2-O 3.49Å; L334-R339 HydrophobicContact CD1-CB 4.43Å; L334-R339 HydrophobicContact CD2-CB 4.38Å; V337-R339 PolarHBondContact O-N 2.84Å
340	L	87.1	Confident	89.9	Confident	40 Å²	40	51.2 Å²	51.2	21%	0.209	26%	0.26	C	S	.	.			trans	-68.5	134.3	179.2	-70.6	178.1	0	0	0	111.5	L332 L334 L344 M355	L332-L340 HydrophobicContact CD2-CD2 3.75Å; L334-L340 HydrophobicContact CD1-CD2 3.8Å; L334-L340 HydrophobicContact CD1-CG 3.97Å; L340-L344 HydrophobicContact CD2-CB 3.82Å; L340-L344 HydrophobicContact CD2-CD1 4.34Å; L340-M355 HydrophobicContact CD1-CE 4.13Å; L340-M355 HydrophobicContact CD1-SD 3.71Å; L340-M355 HydrophobicContact CD2-SD 3.98Å; L340-M355 HydrophobicContact CG-SD 4.13Å
341	D	90.5	Very high	89.7	Confident	23 Å²	23	53.2 Å²	53.2	12%	0.123	29%	0.286	C	S	.	.			trans	-88.4	179.5	168.9	65.5	24	0	0	0	110.7	V183 G185 S320 D343 L344 T345	V183-D341 HydrophobicContact CG1-CB 3.7Å; V183-D341 VanDerWaalsContact CG1-CG 3.45Å; V183-D341 VanDerWaalsContact CG1-OD2 3.31Å; V183-D341 WeakPolarHBondContact CG1-OD2 3.4Å; G185-D341 PolarHBondContact N-OD2 3.38Å; S320-D341 WeakPolarHBondContact CB-OD2 2.99Å; S320-D341 PolarHBondContact OG-OD2 3.15Å; D341-D343 VanDerWaalsContact C-N 3.32Å; D341-D343 PolarHBondContact O-N 3.45Å; D341-D343 PolarHBondContact OD1-N 2.87Å; D341-D343 VanDerWaalsContact OD1-N 3.13Å; D341-L344 WeakPolarHBondContact OD1-CB 3.32Å; D341-L344 PolarHBondContact OD1-N 3.37Å; D341-T345 WeakPolarHBondContact O-CB 3.31Å; D341-T345 PolarHBondContact O-N 3.35Å; D341-T345 PolarHBondContact O-OG1 3.37Å
342	K	92.9	Very high	89.7	Confident	163 Å²	163	58.1 Å²	58.1	71%	0.709	31%	0.307	S	S	*	.	H	α-helix	trans	-58.8	-43.4	-178.7	-175.9	-179.7	174.9	-173.3	0	112.2	T345 I346	K342-T345 PolarHBondContact O-N 3.48Å; K342-I346 HydrophobicContact CG-CD1 4.02Å; K342-I346 VanDerWaalsContact O-CG1 3.28Å; K342-I346 WeakPolarHBondContact O-CG1 3.49Å; K342-I346 PolarHBondContact O-N 3.11Å
343	D	94.4	Very high	89.7	Confident	51 Å²	51	58.7 Å²	58.7	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-73.1	-44.9	-172.2	-68	-19.2	0	0	0	111.1	N321 D341 T345 I346 G347	N321-D343 PolarHBondContact ND2-OD2 3.19Å; D341-D343 VanDerWaalsContact C-N 3.32Å; D341-D343 PolarHBondContact O-N 3.45Å; D341-D343 PolarHBondContact OD1-N 2.87Å; D341-D343 VanDerWaalsContact OD1-N 3.13Å; D343-T345 VanDerWaalsContact C-N 3.33Å; D343-T345 PolarHBondContact O-N 3.21Å; D343-I346 PolarHBondContact O-N 3.2Å; D343-G347 PolarHBondContact O-N 3.25Å
344	L	95.1	Very high	89.8	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-68.5	-32.2	174.2	-63.8	-174	0	0	0	112.2	V183 S320 F323 L324 L332 L340 D341 G347 Q348 F353	V183-L344 HydrophobicContact CB-CD1 4.23Å; V183-L344 HydrophobicContact CG1-CD1 3.76Å; V183-L344 HydrophobicContact CG2-CD1 3.84Å; S320-L344 WeakPolarHBondContact OG-CG 3.39Å; F323-L344 HydrophobicContact CD1-CD2 3.79Å; F323-L344 HydrophobicContact CE1-CD2 4.33Å; L324-L344 HydrophobicContact CD1-CD2 4.32Å; L324-L344 HydrophobicContact CD2-CD2 4.32Å; L324-L344 HydrophobicContact CG-CD2 4.11Å; L332-L344 HydrophobicContact CD2-CD1 4Å; L340-L344 HydrophobicContact CD2-CB 3.82Å; L340-L344 HydrophobicContact CD2-CD1 4.34Å; D341-L344 WeakPolarHBondContact OD1-CB 3.32Å; D341-L344 PolarHBondContact OD1-N 3.37Å; L344-G347 PolarHBondContact O-N 3.03Å; L344-Q348 WeakPolarHBondContact O-CB 3.42Å; L344-Q348 PolarHBondContact O-N 3.46Å; L344-F353 HydrophobicContact CB-CZ 4.19Å; L344-F353 HydrophobicContact CD2-CE1 4.3Å; L344-F353 HydrophobicContact CD2-CZ 4.44Å
345	T	94.4	Very high	89.9	Confident	47 Å²	47	62.6 Å²	62.6	29%	0.288	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-48.2	172.6	-61.6	0	0	0	0	110.8	D341 K342 D343 Q348 M349	D341-T345 WeakPolarHBondContact O-CB 3.31Å; D341-T345 PolarHBondContact O-N 3.35Å; D341-T345 PolarHBondContact O-OG1 3.37Å; K342-T345 PolarHBondContact O-N 3.48Å; D343-T345 VanDerWaalsContact C-N 3.33Å; D343-T345 PolarHBondContact O-N 3.21Å; T345-Q348 PolarHBondContact O-N 2.94Å; T345-M349 HydrophobicContact CG2-CE 4.07Å; T345-M349 HydrophobicContact CG2-SD 4.4Å; T345-M349 WeakPolarHBondContact O-CG 3.49Å; T345-M349 PolarHBondContact O-N 2.79Å
346	I	95.5	Very high	90.3	Very high	75 Å²	75	64.1 Å²	64.1	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-46.1	176.4	-67.6	164.9	0	0	0	110.3	K342 D343 Q348 M349 Q350	K342-I346 HydrophobicContact CG-CD1 4.02Å; K342-I346 VanDerWaalsContact O-CG1 3.28Å; K342-I346 WeakPolarHBondContact O-CG1 3.49Å; K342-I346 PolarHBondContact O-N 3.11Å; D343-I346 PolarHBondContact O-N 3.2Å; I346-Q348 VanDerWaalsContact C-N 3.33Å; I346-Q348 PolarHBondContact O-N 3.46Å; I346-M349 PolarHBondContact O-N 2.79Å; I346-Q350 WeakPolarHBondContact O-CB 3.24Å; I346-Q350 VanDerWaalsContact O-CG 3.29Å; I346-Q350 WeakPolarHBondContact O-CG 3.5Å; I346-Q350 PolarHBondContact O-N 2.81Å
347	G	96.3	Very high	90.9	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-39.8	179	0	0	0	0	0	113.2	D343 L344 Q350 G351 K352	D343-G347 PolarHBondContact O-N 3.25Å; L344-G347 PolarHBondContact O-N 3.03Å; G347-Q350 CarbonylContact O-C 3.52Å; G347-Q350 PolarHBondContact O-N 3.14Å; G347-G351 PolarHBondContact O-N 3.08Å; G347-K352 WeakPolarHBondContact O-CB 3.24Å; G347-K352 PolarHBondContact O-N 2.82Å
348	Q	95.1	Very high	92.1	Very high	52 Å²	52	61.7 Å²	61.7	24%	0.243	32%	0.316	C	S	.	.	H	α-helix	trans	-67.8	-44.4	177.1	-176.2	59.1	19.5	0	0	111.4	L344 T345 I346 Q350 G351 F353 M355	L344-Q348 WeakPolarHBondContact O-CB 3.42Å; L344-Q348 PolarHBondContact O-N 3.46Å; T345-Q348 PolarHBondContact O-N 2.94Å; I346-Q348 VanDerWaalsContact C-N 3.33Å; I346-Q348 PolarHBondContact O-N 3.46Å; Q348-Q350 PolarHBondContact O-N 2.83Å; Q348-G351 PolarHBondContact O-N 3.17Å; Q348-F353 HydrophobicContact CB-CE1 3.91Å; Q348-F353 HydrophobicContact CB-CE2 4.36Å; Q348-F353 HydrophobicContact CB-CZ 3.66Å; Q348-F353 HydrophobicContact CG-CZ 4.36Å; Q348-F353 VanDerWaalsContact OE1-CD2 3.22Å; Q348-F353 VanDerWaalsContact OE1-CZ 3.29Å; Q348-F353 PolarHBondContact OE1-O 3.11Å; Q348-F353 VanDerWaalsContact OE1-O 3.07Å; Q348-M355 HydrophobicContact CG-CE 4.2Å
349	M	93.6	Very high	92.7	Very high	164 Å²	164	58.7 Å²	58.7	81%	0.808	30%	0.304	S	S	*	.	H	α-helix	trans	-62.6	-27.6	175.3	-72.6	-176	173.6	0	0	112.5	T345 I346 G351	T345-M349 HydrophobicContact CG2-CE 4.07Å; T345-M349 HydrophobicContact CG2-SD 4.4Å; T345-M349 WeakPolarHBondContact O-CG 3.49Å; T345-M349 PolarHBondContact O-N 2.79Å; I346-M349 PolarHBondContact O-N 2.79Å; M349-G351 VanDerWaalsContact C-N 3.3Å
350	Q	95.9	Very high	92.9	Very high	116 Å²	116	63.5 Å²	63.5	54%	0.542	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.5	173	-70	174.7	-15	0	0	113.6	I346 G347 Q348 K352	I346-Q350 WeakPolarHBondContact O-CB 3.24Å; I346-Q350 VanDerWaalsContact O-CG 3.29Å; I346-Q350 WeakPolarHBondContact O-CG 3.5Å; I346-Q350 PolarHBondContact O-N 2.81Å; G347-Q350 CarbonylContact O-C 3.52Å; G347-Q350 PolarHBondContact O-N 3.14Å; Q348-Q350 PolarHBondContact O-N 2.83Å; Q350-K352 VanDerWaalsContact C-N 3.33Å; Q350-K352 HydrophobicContact CB-CD 4.44Å; Q350-K352 HydrophobicContact CB-CG 4.1Å; Q350-K352 PolarHBondContact O-N 2.84Å
351	G	95.9	Very high	92.6	Very high	60 Å²	60	62.5 Å²	62.5	62%	0.619	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	25.6	-178.9	0	0	0	0	0	114.4	G347 Q348 M349 F353	G347-G351 PolarHBondContact O-N 3.08Å; Q348-G351 PolarHBondContact O-N 3.17Å; M349-G351 VanDerWaalsContact C-N 3.3Å; G351-F353 VanDerWaalsContact C-N 3.31Å; G351-F353 PolarHBondContact O-N 2.78Å
352	K	97.6	Very high	92	Very high	102 Å²	102	62.1 Å²	62.1	44%	0.443	33%	0.327	S	S	.	.			trans	-74.3	-17	-176.2	-71.9	-178.5	170.3	164.1	0	114.5	L324 K330 G347 Q350	L324-K352 HydrophobicContact CD2-CB 4.02Å; L324-K352 HydrophobicContact CD2-CD 4.15Å; K330-K352 WeakPolarHBondContact CE-O 3.4Å; G347-K352 WeakPolarHBondContact O-CB 3.24Å; G347-K352 PolarHBondContact O-N 2.82Å; Q350-K352 VanDerWaalsContact C-N 3.33Å; Q350-K352 HydrophobicContact CB-CD 4.44Å; Q350-K352 HydrophobicContact CB-CG 4.1Å; Q350-K352 PolarHBondContact O-N 2.84Å
353	F	97.9	Very high	91.3	Very high	13 Å²	13	58.2 Å²	58.2	6%	0.057	31%	0.311	C	S	.	.	S	Bend	trans	-151.3	162.3	177.5	63.2	-85	0	0	0	110.6	F323 L324 K330 L332 L344 Q348 G351 M355	F323-F353 HydrophobicContact CE1-CB 3.98Å; F323-F353 AromaticContact CE1-CD1 3.87Å; F323-F353 HydrophobicContact CE1-CD1 3.87Å; F323-F353 HydrophobicContact CE1-CD2 4.03Å; F323-F353 HydrophobicContact CE1-CE1 4.33Å; F323-F353 HydrophobicContact CE1-CE2 4.48Å; F323-F353 AromaticContact CE1-CG 3.71Å; F323-F353 HydrophobicContact CE1-CG 3.71Å; F323-F353 HydrophobicContact CZ-CB 4.07Å; F323-F353 HydrophobicContact CZ-CD2 4.34Å; F323-F353 HydrophobicContact CZ-CG 4.17Å; L324-F353 HydrophobicContact CD2-CD1 3.69Å; L324-F353 HydrophobicContact CD2-CE1 3.85Å; K330-F353 HydrophobicContact CB-CB 3.61Å; L332-F353 HydrophobicContact CB-CD2 3.73Å; L332-F353 HydrophobicContact CB-CE2 3.64Å; L332-F353 HydrophobicContact CD2-CD2 4.45Å; L332-F353 HydrophobicContact CD2-CE2 3.56Å; L332-F353 HydrophobicContact CD2-CZ 4.05Å; L332-F353 HydrophobicContact CG-CE2 4.25Å; L344-F353 HydrophobicContact CB-CZ 4.19Å; L344-F353 HydrophobicContact CD2-CE1 4.3Å; L344-F353 HydrophobicContact CD2-CZ 4.44Å; Q348-F353 HydrophobicContact CB-CE1 3.91Å; Q348-F353 HydrophobicContact CB-CE2 4.36Å; Q348-F353 HydrophobicContact CB-CZ 3.66Å; Q348-F353 HydrophobicContact CG-CZ 4.36Å; Q348-F353 VanDerWaalsContact OE1-CD2 3.22Å; Q348-F353 VanDerWaalsContact OE1-CZ 3.29Å; Q348-F353 PolarHBondContact OE1-O 3.11Å; Q348-F353 VanDerWaalsContact OE1-O 3.07Å; G351-F353 VanDerWaalsContact C-N 3.31Å; G351-F353 PolarHBondContact O-N 2.78Å; F353-M355 HydrophobicContact CD2-CB 4.4Å; F353-M355 HydrophobicContact CE2-CB 4.05Å
354	Q	97.1	Very high	91	Very high	32 Å²	32	55.9 Å²	55.9	15%	0.15	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.8	170.7	-176.2	172.8	-10.5	0	0	109.1	K330 L331 L332 F380	K330-Q354 PolarHBondContact O-N 3.34Å; L331-Q354 CarbonylContact C-O 3.5Å; L331-Q354 WeakPolarHBondContact CA-O 3.42Å; L331-Q354 HydrophobicContact CD1-CB 4.07Å; L331-Q354 HydrophobicContact CD1-CG 3.99Å; L332-Q354 PolarHBondContact N-O 2.87Å; Q354-F380 HydrophobicContact CB-CD2 4.42Å
355	M	95	Very high	90.9	Very high	50 Å²	50	55.8 Å²	55.8	25%	0.246	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.4	177	-175.1	179.5	65.4	0	0	110.4	L332 L334 L340 Q348 F353	L332-M355 VanDerWaalsContact O-CA 3.31Å; L332-M355 WeakPolarHBondContact O-CA 3.29Å; L334-M355 HydrophobicContact CD1-SD 4Å; L340-M355 HydrophobicContact CD1-CE 4.13Å; L340-M355 HydrophobicContact CD1-SD 3.71Å; L340-M355 HydrophobicContact CD2-SD 3.98Å; L340-M355 HydrophobicContact CG-SD 4.13Å; Q348-M355 HydrophobicContact CG-CE 4.2Å; F353-M355 HydrophobicContact CD2-CB 4.4Å; F353-M355 HydrophobicContact CE2-CB 4.05Å
356	Q	93.8	Very high	91	Very high	43 Å²	43	53.5 Å²	53.5	20%	0.201	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.1	164.4	-60.6	-163.6	13.9	0	0	111	L332 L333 L334 A376	L332-Q356 PolarHBondContact O-N 3.35Å; L333-Q356 WeakPolarHBondContact CA-O 3.33Å; L333-Q356 HydrophobicContact CD2-CB 3.75Å; L333-Q356 HydrophobicContact CD2-CG 4.35Å; L334-Q356 PolarHBondContact N-O 2.62Å; Q356-A376 VanDerWaalsContact OE1-CB 3.27Å
357	V	91.9	Very high	91.1	Very high	51 Å²	51	50 Å²	50	31%	0.309	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.2	178.7	-177.5	0	0	0	0	108	L334 V337 P359	L334-V357 CarbonylContact O-C 3.59Å; L334-V357 WeakPolarHBondContact O-CA 3.1Å; V337-V357 HydrophobicContact CG1-CB 4.4Å; V337-V357 HydrophobicContact CG1-CG1 4.19Å; V337-V357 HydrophobicContact CG1-CG2 3.56Å; V357-P359 WeakPolarHBondContact O-CD 3.31Å
358	L	90	Very high	91.1	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.063	27%	0.272	C	S	.	.			trans	-111.2	83.2	-179.5	-61.1	-177.6	0	0	0	108.6	L334 V365 K372 V373	L334-L358 PolarHBondContact O-N 2.99Å; L358-V365 HydrophobicContact CB-CG1 3.93Å; L358-V365 HydrophobicContact CD1-CG1 3.75Å; L358-V365 HydrophobicContact CG-CG1 4.46Å; L358-K372 HydrophobicContact CD1-CB 4.16Å; L358-K372 HydrophobicContact CD2-CB 3.95Å; L358-K372 HydrophobicContact CD2-CD 4.35Å; L358-V373 HydrophobicContact CD1-CG2 3.81Å
359	P	82.7	Confident	91.2	Very high	69 Å²	69	49.4 Å²	49.4	45%	0.448	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	161.1	-175.6	29.2	-36.3	0	0	0	111.2	V357 C361	V357-P359 WeakPolarHBondContact O-CD 3.31Å; P359-C361 VanDerWaalsContact C-N 3.29Å; P359-C361 PolarHBondContact O-N 3.21Å
360	Q	77.8	Confident	91.3	Very high	169 Å²	169	42 Å²	42	79%	0.79	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	8.8	175.8	-49.6	174.7	-10.3	0	0	115.9	R222	R222-Q360 PolarHBondContact NH1-O 3.14Å
361	C	81.1	Confident	91.4	Very high	18 Å²	18	40.6 Å²	40.6	12%	0.122	23%	0.227	C	C	.	.			trans	-90.9	151.1	172.5	-55.3	0	0	0	0	111.2	A335 P359 V365 D368 A369	A335-C361 HydrophobicContact CB-CB 4.42Å; P359-C361 VanDerWaalsContact C-N 3.29Å; P359-C361 PolarHBondContact O-N 3.21Å; C361-V365 HydrophobicContact CB-CB 4.18Å; C361-V365 HydrophobicContact CB-CG1 3.94Å; C361-V365 HydrophobicContact CB-CG2 3.92Å; C361-D368 HydrophobicContact CB-CB 4.21Å; C361-A369 VanDerWaalsContact SG-CB 3.55Å
362	G	78.4	Confident	91.4	Very high	15 Å²	15	42.4 Å²	42.4	16%	0.155	22%	0.218	C	C	.	.			trans	-75.4	-146.8	166.6	0	0	0	0	0	111.5	D368	G362-D368 WeakPolarHBondContact CA-OD2 3.48Å; G362-D368 PolarHBondContact N-OD2 2.85Å
363	H	77	Confident	91.4	Very high	82 Å²	82	37.6 Å²	37.6	38%	0.38	20%	0.197	S	C	.	.	S	Bend	trans	-73.5	-40.5	-179.1	-177.1	49.8	0	0	0	112.8	H155 S156 D181 V365	H155-H363 AromaticContact CE1-CD2 3.84Å; H155-H363 AromaticContact CE1-NE2 3.69Å; H155-H363 AromaticContact NE2-CE1 3.95Å; H155-H363 AromaticContact NE2-NE2 3.88Å; H155-H363 PolarHBondContact NE2-O 3.1Å; S156-H363 PolarHBondContact OG-NE2 3.04Å; D181-H363 IonicContact OD2-ND1 2.71Å; H363-V365 PolarHBondContact O-N 3.05Å
364	A	88.6	Confident	91.4	Very high	1 Å²	1	37 Å²	37	1%	0.008	19%	0.194	C	C	.	.			trans	-94.9	76.8	-179.3	0	0	0	0	0	110.7	H366 E367 D368	A364-H366 PolarHBondContact O-N 3.25Å; A364-E367 HydrophobicContact CB-CB 4.04Å; A364-E367 HydrophobicContact CB-CG 4.05Å; A364-E367 PolarHBondContact O-N 2.87Å; A364-D368 PolarHBondContact O-N 2.92Å
365	V	93.1	Very high	91.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-35.7	-177.3	-174	0	0	0	0	112.6	I180 D181 A335 L358 C361 H363 E367 D368 A369 V373	I180-V365 HydrophobicContact CG2-CB 4.03Å; I180-V365 HydrophobicContact CG2-CG2 4.36Å; D181-V365 HydrophobicContact CB-CG2 4.17Å; A335-V365 HydrophobicContact CB-CG2 3.84Å; L358-V365 HydrophobicContact CB-CG1 3.93Å; L358-V365 HydrophobicContact CD1-CG1 3.75Å; L358-V365 HydrophobicContact CG-CG1 4.46Å; C361-V365 HydrophobicContact CB-CB 4.18Å; C361-V365 HydrophobicContact CB-CG1 3.94Å; C361-V365 HydrophobicContact CB-CG2 3.92Å; H363-V365 PolarHBondContact O-N 3.05Å; V365-E367 VanDerWaalsContact C-N 3.31Å; V365-E367 PolarHBondContact O-N 3.34Å; V365-D368 PolarHBondContact O-N 3.22Å; V365-A369 PolarHBondContact O-N 3.37Å; V365-V373 HydrophobicContact CG1-CG2 3.9Å
366	H	97	Very high	91.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.4	-22.5	178.6	63.9	-83.5	0	0	0	113.7	S91 W92 H155 I180 A364 P370 V373	S91-H366 VanDerWaalsContact CB-NE2 3.34Å; S91-H366 WeakPolarHBondContact CB-NE2 3.27Å; S91-H366 PolarHBondContact O-CD2 3.49Å; S91-H366 VanDerWaalsContact O-CD2 3.29Å; W92-H366 AromaticContact CD2-CD2 3.82Å; W92-H366 HydrophobicContact CE3-CB 3.92Å; W92-H366 AromaticContact CE3-CD2 3.7Å; W92-H366 AromaticContact CE3-CG 3.9Å; W92-H366 HydrophobicContact CH2-CB 4.12Å; W92-H366 AromaticContact CH2-CG 3.91Å; W92-H366 HydrophobicContact CZ3-CB 3.51Å; W92-H366 AromaticContact CZ3-CD2 3.93Å; W92-H366 AromaticContact CZ3-CG 3.66Å; H155-H366 AromaticContact CD2-CE1 3.95Å; H155-H366 AromaticContact CD2-ND1 3.88Å; H155-H366 AromaticContact CG-CE1 3.36Å; H155-H366 AromaticContact CG-ND1 3.63Å; H155-H366 AromaticContact ND1-CE1 3.47Å; H155-H366 PolarHBondContact ND1-CE1 2.8Å; I180-H366 HydrophobicContact CD1-CB 4.38Å; A364-H366 PolarHBondContact O-N 3.25Å; H366-P370 WeakPolarHBondContact O-CA 3.38Å; H366-P370 WeakPolarHBondContact O-CB 3.42Å; H366-V373 HydrophobicContact CB-CG1 4.3Å; H366-V373 HydrophobicContact CB-CG2 4.27Å
367	E	97.4	Very high	91.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-86.7	-40.5	171.3	-66.1	-153.8	-115.8	0	0	111.7	H87 S91 I221 N223 S226 S230 A364 V365 P370	H87-E367 IonicContact CE1-OE1 3.34Å; H87-E367 IonicContact ND1-OE1 3.89Å; H87-E367 PolarHBondContact ND1-OE1 2.75Å; S91-E367 WeakPolarHBondContact O-CG 3.41Å; I221-E367 HydrophobicContact CG2-CB 4.19Å; N223-E367 WeakPolarHBondContact CB-O 3.18Å; N223-E367 PolarHBondContact ND2-O 3.44Å; S226-E367 WeakPolarHBondContact OG-CB 3.46Å; S226-E367 WeakPolarHBondContact OG-CG 3.33Å; S226-E367 PolarHBondContact OG-OE2 3.31Å; S230-E367 WeakPolarHBondContact CB-OE2 3.46Å; S230-E367 PolarHBondContact OG-OE2 3.15Å; A364-E367 HydrophobicContact CB-CB 4.04Å; A364-E367 HydrophobicContact CB-CG 4.05Å; A364-E367 PolarHBondContact O-N 2.87Å; V365-E367 VanDerWaalsContact C-N 3.31Å; V365-E367 PolarHBondContact O-N 3.34Å; E367-P370 WeakPolarHBondContact O-CD 3.49Å
368	D	95.9	Very high	91.9	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.134	17%	0.169	C	C	.	.	H	α-helix	trans	-75.5	-36.9	-175.4	-75.7	-10.3	0	0	0	113.2	R222 C361 G362 A364 V365	R222-D368 WeakPolarHBondContact CB-OD1 3.09Å; R222-D368 PolarHBondContact N-OD1 2.9Å; C361-D368 HydrophobicContact CB-CB 4.21Å; G362-D368 WeakPolarHBondContact CA-OD2 3.48Å; G362-D368 PolarHBondContact N-OD2 2.85Å; A364-D368 PolarHBondContact O-N 2.92Å; V365-D368 PolarHBondContact O-N 3.22Å
369	A	96.4	Very high	92.3	Very high	15 Å²	15	32 Å²	32	12%	0.124	17%	0.167	C	C	.	.	S	Bend	trans	-135.8	57.3	-179	0	0	0	0	0	112.2	C361 V365 D371 K372 V373	C361-A369 VanDerWaalsContact SG-CB 3.55Å; V365-A369 PolarHBondContact O-N 3.37Å; A369-D371 VanDerWaalsContact C-N 3.27Å; A369-D371 PolarHBondContact O-N 3.47Å; A369-K372 HydrophobicContact CB-CB 4.23Å; A369-K372 HydrophobicContact CB-CD 4.33Å; A369-K372 HydrophobicContact CB-CG 4.39Å; A369-K372 PolarHBondContact O-N 2.79Å; A369-V373 WeakPolarHBondContact O-CG2 3.08Å; A369-V373 PolarHBondContact O-N 3.29Å; A369-V373 VanDerWaalsContact O-N 3.08Å
370	P	97.5	Very high	93	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-55.3	-40.5	-173.3	20.3	-32.1	0	0	0	112.6	V94 F95 H366 E367 K372 V373 A374	V94-P370 HydrophobicContact CB-CB 3.99Å; V94-P370 HydrophobicContact CB-CG 3.95Å; V94-P370 HydrophobicContact CG1-CB 3.87Å; V94-P370 HydrophobicContact CG1-CG 3.49Å; V94-P370 VanDerWaalsContact CG1-CG 3.49Å; F95-P370 HydrophobicContact CB-CB 4.38Å; H366-P370 WeakPolarHBondContact O-CA 3.38Å; H366-P370 WeakPolarHBondContact O-CB 3.42Å; E367-P370 WeakPolarHBondContact O-CD 3.49Å; P370-K372 PolarHBondContact O-N 3.17Å; P370-V373 PolarHBondContact O-N 2.75Å; P370-A374 VanDerWaalsContact O-CB 3.3Å; P370-A374 WeakPolarHBondContact O-CB 3.46Å; P370-A374 PolarHBondContact O-N 3.17Å
371	D	96.5	Very high	94	Very high	88 Å²	88	20.7 Å²	20.7	47%	0.471	11%	0.108	S	C	.	.	H	α-helix	trans	-61.7	-41.1	177.7	-84.1	-54.1	0	0	0	113.6	R102 A369 A374 E375	R102-D371 IonicContact CZ-OD1 3.36Å; R102-D371 IonicContact NH1-OD1 3.34Å; R102-D371 PolarHBondContact NH1-OD1 3.08Å; R102-D371 PolarHBondContact NH2-O 3.27Å; R102-D371 IonicContact NH2-OD1 2.74Å; R102-D371 PolarHBondContact NH2-OD1 2.85Å; A369-D371 VanDerWaalsContact C-N 3.27Å; A369-D371 PolarHBondContact O-N 3.47Å; D371-A374 PolarHBondContact O-N 2.75Å; D371-E375 WeakPolarHBondContact O-CB 3.25Å; D371-E375 PolarHBondContact O-N 3.3Å
372	K	95.9	Very high	94.7	Very high	98 Å²	98	21.5 Å²	21.5	43%	0.426	11%	0.111	S	C	.	.	H	α-helix	trans	-72.3	-37.9	179.5	-64.4	-171.6	179.2	-179.4	0	111.3	L358 A369 P370 E375 A376	L358-K372 HydrophobicContact CD1-CB 4.16Å; L358-K372 HydrophobicContact CD2-CB 3.95Å; L358-K372 HydrophobicContact CD2-CD 4.35Å; A369-K372 HydrophobicContact CB-CB 4.23Å; A369-K372 HydrophobicContact CB-CD 4.33Å; A369-K372 HydrophobicContact CB-CG 4.39Å; A369-K372 PolarHBondContact O-N 2.79Å; P370-K372 PolarHBondContact O-N 3.17Å; K372-E375 PolarHBondContact O-N 3.43Å; K372-A376 WeakPolarHBondContact O-CB 3.22Å; K372-A376 PolarHBondContact O-N 2.61Å
373	V	97.6	Very high	95.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-46.1	172.7	-178.9	0	0	0	0	110	F95 I180 L333 L358 V365 H366 A369 P370 E375 A376 V377	F95-V373 HydrophobicContact CD2-CB 4.14Å; F95-V373 HydrophobicContact CD2-CG1 3.81Å; F95-V373 HydrophobicContact CE2-CB 4.43Å; F95-V373 HydrophobicContact CE2-CG1 3.79Å; I180-V373 HydrophobicContact CD1-CG1 3.77Å; L333-V373 HydrophobicContact CD1-CG1 3.86Å; L358-V373 HydrophobicContact CD1-CG2 3.81Å; V365-V373 HydrophobicContact CG1-CG2 3.9Å; H366-V373 HydrophobicContact CB-CG1 4.3Å; H366-V373 HydrophobicContact CB-CG2 4.27Å; A369-V373 WeakPolarHBondContact O-CG2 3.08Å; A369-V373 PolarHBondContact O-N 3.29Å; A369-V373 VanDerWaalsContact O-N 3.08Å; P370-V373 PolarHBondContact O-N 2.75Å; V373-E375 PolarHBondContact O-N 3Å; V373-A376 PolarHBondContact O-N 3.03Å; V373-V377 HydrophobicContact CG1-CG2 4.45Å; V373-V377 WeakPolarHBondContact O-CG2 3.21Å; V373-V377 PolarHBondContact O-N 3.06Å
374	A	97.9	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-41.8	176.5	0	0	0	0	0	112.3	F95 A98 I99 P370 D371 V377 A378	F95-A374 HydrophobicContact CD2-CB 4.14Å; F95-A374 HydrophobicContact CE2-CB 4.15Å; A98-A374 HydrophobicContact CB-CB 3.65Å; I99-A374 HydrophobicContact CB-CB 4Å; I99-A374 HydrophobicContact CD1-CB 4.21Å; I99-A374 VanDerWaalsContact CD1-O 3.24Å; I99-A374 WeakPolarHBondContact CD1-O 3.45Å; P370-A374 VanDerWaalsContact O-CB 3.3Å; P370-A374 WeakPolarHBondContact O-CB 3.46Å; P370-A374 PolarHBondContact O-N 3.17Å; D371-A374 PolarHBondContact O-N 2.75Å; A374-V377 PolarHBondContact O-N 2.65Å; A374-A378 WeakPolarHBondContact O-CB 3.26Å; A374-A378 PolarHBondContact O-N 2.81Å
375	E	96.7	Very high	96.9	Very high	80 Å²	80	37.4 Å²	37.4	37%	0.374	17%	0.166	S	C	.	.	H	α-helix	trans	-62.1	-44.2	175.6	-174.2	-178.7	145.3	0	0	112.3	D371 K372 V373 T379 F393	D371-E375 WeakPolarHBondContact O-CB 3.25Å; D371-E375 PolarHBondContact O-N 3.3Å; K372-E375 PolarHBondContact O-N 3.43Å; V373-E375 PolarHBondContact O-N 3Å; E375-T379 VanDerWaalsContact O-CB 3.27Å; E375-T379 WeakPolarHBondContact O-CB 3.27Å; E375-T379 PolarHBondContact O-N 3.05Å; E375-T379 PolarHBondContact O-OG1 3.07Å; E375-F393 HydrophobicContact CG-CE2 4.22Å; E375-F393 HydrophobicContact CG-CZ 4.05Å
376	A	96.9	Very high	97.2	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-44.6	177.9	0	0	0	0	0	112	L333 Q356 K372 V373 T379 F380	L333-A376 HydrophobicContact CD1-CB 4.33Å; L333-A376 HydrophobicContact CD2-CB 3.8Å; Q356-A376 VanDerWaalsContact OE1-CB 3.27Å; K372-A376 WeakPolarHBondContact O-CB 3.22Å; K372-A376 PolarHBondContact O-N 2.61Å; V373-A376 PolarHBondContact O-N 3.03Å; A376-T379 PolarHBondContact O-N 3.42Å; A376-F380 WeakPolarHBondContact O-CB 3.17Å; A376-F380 PolarHBondContact O-N 3.27Å
377	V	98.3	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.4	-44.9	177.7	172.7	0	0	0	0	111	L79 F95 I99 I153 L331 L333 V373 A374 T379 F380 L381	L79-V377 HydrophobicContact CD1-CG1 4.19Å; F95-V377 HydrophobicContact CE2-CG2 4.29Å; F95-V377 HydrophobicContact CZ-CG1 4.49Å; F95-V377 HydrophobicContact CZ-CG2 4.44Å; I99-V377 HydrophobicContact CD1-CB 4.29Å; I99-V377 HydrophobicContact CD1-CG1 4.18Å; I153-V377 HydrophobicContact CD1-CG1 3.79Å; I153-V377 HydrophobicContact CD1-CG2 4.13Å; L331-V377 HydrophobicContact CD2-CG2 4.22Å; L333-V377 HydrophobicContact CD1-CG2 4.47Å; V373-V377 HydrophobicContact CG1-CG2 4.45Å; V373-V377 WeakPolarHBondContact O-CG2 3.21Å; V373-V377 PolarHBondContact O-N 3.06Å; A374-V377 PolarHBondContact O-N 2.65Å; V377-T379 VanDerWaalsContact C-N 3.33Å; V377-T379 PolarHBondContact O-N 3.2Å; V377-F380 WeakPolarHBondContact O-CB 3.32Å; V377-F380 PolarHBondContact O-N 2.8Å; V377-L381 HydrophobicContact CG1-CD1 3.87Å; V377-L381 HydrophobicContact CG1-CG 4.29Å; V377-L381 VanDerWaalsContact O-CG 3.3Å; V377-L381 WeakPolarHBondContact O-CG 3.42Å; V377-L381 PolarHBondContact O-N 3.45Å
378	A	98	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-46.3	175.2	0	0	0	0	0	111.5	I99 R102 V103 A374 F380 L381 I382 F393	I99-A378 HydrophobicContact CD1-CB 3.82Å; R102-A378 HydrophobicContact CB-CB 4.13Å; V103-A378 HydrophobicContact CG1-CB 3.75Å; V103-A378 HydrophobicContact CG2-CB 4.49Å; A374-A378 WeakPolarHBondContact O-CB 3.26Å; A374-A378 PolarHBondContact O-N 2.81Å; A378-F380 VanDerWaalsContact C-N 3.3Å; A378-F380 PolarHBondContact O-N 3.22Å; A378-L381 PolarHBondContact O-N 3.47Å; A378-I382 WeakPolarHBondContact O-CB 3.31Å; A378-I382 WeakPolarHBondContact O-CD1 2.91Å; A378-I382 VanDerWaalsContact O-CG1 3.29Å; A378-I382 WeakPolarHBondContact O-CG1 3.38Å; A378-I382 PolarHBondContact O-N 3.43Å; A378-F393 HydrophobicContact CB-CD1 4.46Å; A378-F393 HydrophobicContact CB-CE1 3.71Å; A378-F393 HydrophobicContact CB-CZ 4Å
379	T	96.9	Very high	97.1	Very high	3 Å²	3	48 Å²	48	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-57.9	-44.6	176.8	-64.1	0	0	0	0	111.4	E375 A376 V377 R383 C395 F397	E375-T379 VanDerWaalsContact O-CB 3.27Å; E375-T379 WeakPolarHBondContact O-CB 3.27Å; E375-T379 PolarHBondContact O-N 3.05Å; E375-T379 PolarHBondContact O-OG1 3.07Å; A376-T379 PolarHBondContact O-N 3.42Å; V377-T379 VanDerWaalsContact C-N 3.33Å; V377-T379 PolarHBondContact O-N 3.2Å; T379-R383 WeakPolarHBondContact O-CB 3.4Å; T379-R383 PolarHBondContact O-N 2.68Å; T379-C395 VanDerWaalsContact CA-SG 3.55Å; T379-F397 HydrophobicContact CG2-CD1 4.42Å
380	F	97.8	Very high	96.9	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-47.8	176.9	178.9	-92.5	0	0	0	112	M151 P329 L331 Q354 A376 V377 A378 I382 R383 H384 F386	M151-F380 HydrophobicContact CE-CD1 3.57Å; M151-F380 HydrophobicContact CE-CE1 3.58Å; M151-F380 HydrophobicContact SD-CD1 3.96Å; M151-F380 HydrophobicContact SD-CE1 3.97Å; P329-F380 HydrophobicContact CB-CE1 4.45Å; P329-F380 HydrophobicContact CB-CE2 4.28Å; P329-F380 HydrophobicContact CB-CZ 3.61Å; L331-F380 HydrophobicContact CB-CD2 3.92Å; L331-F380 HydrophobicContact CB-CE2 3.98Å; L331-F380 HydrophobicContact CB-CG 4.27Å; L331-F380 HydrophobicContact CB-CZ 4.37Å; L331-F380 HydrophobicContact CD1-CD2 4.28Å; L331-F380 HydrophobicContact CD2-CB 3.98Å; L331-F380 HydrophobicContact CD2-CD2 4.43Å; L331-F380 HydrophobicContact CD2-CG 4.14Å; L331-F380 HydrophobicContact CG-CD2 4.44Å; Q354-F380 HydrophobicContact CB-CD2 4.42Å; A376-F380 WeakPolarHBondContact O-CB 3.17Å; A376-F380 PolarHBondContact O-N 3.27Å; V377-F380 WeakPolarHBondContact O-CB 3.32Å; V377-F380 PolarHBondContact O-N 2.8Å; A378-F380 VanDerWaalsContact C-N 3.3Å; A378-F380 PolarHBondContact O-N 3.22Å; F380-I382 PolarHBondContact O-N 3.46Å; F380-R383 PolarHBondContact O-N 2.69Å; F380-H384 AromaticContact CD2-CD2 3.73Å; F380-H384 AromaticContact CD2-NE2 3.95Å; F380-H384 AromaticContact CE2-CD2 3.55Å; F380-H384 AromaticContact CE2-NE2 3.54Å; F380-H384 AromaticContact CZ-CD2 3.79Å; F380-H384 PolarHBondContact O-CD2 2.91Å; F380-H384 VanDerWaalsContact O-CD2 3.28Å; F380-H384 PolarHBondContact O-N 3.16Å; F380-H384 VanDerWaalsContact O-N 3.1Å; F380-F386 HydrophobicContact CE1-CD2 4.4Å; F380-F386 HydrophobicContact CE1-CE2 4.14Å
381	L	98.2	Very high	95.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-46.9	178.6	-70.4	167	0	0	0	111.7	P77 L79 V103 M151 V377 A378 H384 R385 F386 A387	P77-L381 HydrophobicContact CG-CD2 4.39Å; L79-L381 HydrophobicContact CD1-CD1 4.25Å; L79-L381 HydrophobicContact CD2-CD1 3.98Å; L79-L381 HydrophobicContact CD2-CD2 4.11Å; V103-L381 HydrophobicContact CG2-CD1 4.04Å; M151-L381 HydrophobicContact SD-CD2 3.6Å; M151-L381 VanDerWaalsContact SD-CD2 3.6Å; M151-L381 HydrophobicContact SD-CG 4.24Å; V377-L381 HydrophobicContact CG1-CD1 3.87Å; V377-L381 HydrophobicContact CG1-CG 4.29Å; V377-L381 VanDerWaalsContact O-CG 3.3Å; V377-L381 WeakPolarHBondContact O-CG 3.42Å; V377-L381 PolarHBondContact O-N 3.45Å; A378-L381 PolarHBondContact O-N 3.47Å; L381-H384 PolarHBondContact O-N 2.9Å; L381-R385 PolarHBondContact O-N 2.98Å; L381-F386 HydrophobicContact CB-CB 4.46Å; L381-F386 HydrophobicContact CD2-CB 3.79Å; L381-F386 HydrophobicContact CD2-CD2 4.21Å; L381-F386 PolarHBondContact O-N 3.29Å; L381-A387 HydrophobicContact CB-CB 3.98Å; L381-A387 HydrophobicContact CD1-CB 4.36Å
382	I	96.8	Very high	94.7	Very high	35 Å²	35	53.1 Å²	53.1	18%	0.179	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-44.2	179	-65.6	162.9	0	0	0	110.6	V103 A378 F380 H384 R385 P389 F393	V103-I382 HydrophobicContact CG1-CD1 3.84Å; V103-I382 HydrophobicContact CG1-CG1 3.97Å; A378-I382 WeakPolarHBondContact O-CB 3.31Å; A378-I382 WeakPolarHBondContact O-CD1 2.91Å; A378-I382 VanDerWaalsContact O-CG1 3.29Å; A378-I382 WeakPolarHBondContact O-CG1 3.38Å; A378-I382 PolarHBondContact O-N 3.43Å; F380-I382 PolarHBondContact O-N 3.46Å; I382-H384 PolarHBondContact O-N 3.24Å; I382-R385 PolarHBondContact O-N 3.34Å; I382-P389 HydrophobicContact CD1-CB 3.91Å; I382-F393 HydrophobicContact CD1-CD1 3.75Å; I382-F393 HydrophobicContact CD1-CE1 3.83Å
383	R	96.2	Very high	93.9	Very high	140 Å²	140	50.5 Å²	50.5	53%	0.528	27%	0.269	S	S	.	.	H	α-helix	trans	-54.1	-41.5	178.1	-175.8	-179.2	173.3	104.3	-1.6	111.8	T379 F380 F397	T379-R383 WeakPolarHBondContact O-CB 3.4Å; T379-R383 PolarHBondContact O-N 2.68Å; F380-R383 PolarHBondContact O-N 2.69Å; R383-F397 HydrophobicContact CB-CE1 3.96Å; R383-F397 HydrophobicContact CG-CE1 4.21Å
384	H	97.5	Very high	92.8	Very high	68 Å²	68	58.5 Å²	58.5	32%	0.315	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.8	-178.7	-71.4	-74.6	0	0	0	113.8	F380 L381 I382 F386	F380-H384 AromaticContact CD2-CD2 3.73Å; F380-H384 AromaticContact CD2-NE2 3.95Å; F380-H384 AromaticContact CE2-CD2 3.55Å; F380-H384 AromaticContact CE2-NE2 3.54Å; F380-H384 AromaticContact CZ-CD2 3.79Å; F380-H384 PolarHBondContact O-CD2 2.91Å; F380-H384 VanDerWaalsContact O-CD2 3.28Å; F380-H384 PolarHBondContact O-N 3.16Å; F380-H384 VanDerWaalsContact O-N 3.1Å; L381-H384 PolarHBondContact O-N 2.9Å; I382-H384 PolarHBondContact O-N 3.24Å; H384-F386 VanDerWaalsContact C-N 3.25Å; H384-F386 HydrophobicContact CB-CD1 4.23Å; H384-F386 HydrophobicContact CB-CD2 3.56Å; H384-F386 HydrophobicContact CB-CE1 4.08Å; H384-F386 HydrophobicContact CB-CE2 3.39Å; H384-F386 HydrophobicContact CB-CG 4.01Å; H384-F386 HydrophobicContact CB-CZ 3.69Å; H384-F386 PolarHBondContact O-N 3.08Å
385	R	97.4	Very high	91.6	Very high	224 Å²	224	60 Å²	60	85%	0.845	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	36.8	-178	-52.8	-175.5	-179	-170.4	-0.8	113.4	L381 I382	L381-R385 PolarHBondContact O-N 2.98Å; I382-R385 PolarHBondContact O-N 3.34Å
386	F	98.1	Very high	90.2	Very high	49 Å²	49	61 Å²	61	22%	0.215	33%	0.328	C	S	.	.	S	Bend	trans	-86.7	-29.4	175.9	-62.3	-31.9	0	0	0	112.7	P77 L175 P329 F380 L381 H384	P77-F386 VanDerWaalsContact CD-O 3.26Å; P77-F386 WeakPolarHBondContact CD-O 3.39Å; P77-F386 VanDerWaalsContact CG-O 3.3Å; P77-F386 WeakPolarHBondContact CG-O 3.39Å; L175-F386 HydrophobicContact CB-CD1 4.42Å; L175-F386 HydrophobicContact CB-CE1 4.06Å; L175-F386 HydrophobicContact CB-CZ 4.17Å; L175-F386 HydrophobicContact CD1-CB 4.3Å; L175-F386 HydrophobicContact CD1-CD1 4.2Å; L175-F386 HydrophobicContact CD1-CD2 3.67Å; L175-F386 HydrophobicContact CD1-CE1 4.39Å; L175-F386 HydrophobicContact CD1-CE2 3.87Å; L175-F386 HydrophobicContact CD1-CG 3.82Å; L175-F386 HydrophobicContact CD1-CZ 4.21Å; L175-F386 HydrophobicContact CD2-CB 4.16Å; L175-F386 HydrophobicContact CD2-CD1 3.81Å; L175-F386 HydrophobicContact CD2-CE1 4.29Å; L175-F386 HydrophobicContact CD2-CG 3.98Å; L175-F386 HydrophobicContact CG-CD1 4.38Å; L175-F386 HydrophobicContact CG-CE1 4.48Å; L175-F386 HydrophobicContact CG-CG 4.44Å; L175-F386 WeakPolarHBondContact O-CE2 3.31Å; L175-F386 WeakPolarHBondContact O-CZ 3.26Å; P329-F386 HydrophobicContact CB-CE2 4.21Å; P329-F386 HydrophobicContact CB-CZ 4.3Å; P329-F386 HydrophobicContact CG-CE2 4.3Å; P329-F386 HydrophobicContact CG-CZ 3.89Å; F380-F386 HydrophobicContact CE1-CD2 4.4Å; F380-F386 HydrophobicContact CE1-CE2 4.14Å; L381-F386 HydrophobicContact CB-CB 4.46Å; L381-F386 HydrophobicContact CD2-CB 3.79Å; L381-F386 HydrophobicContact CD2-CD2 4.21Å; L381-F386 PolarHBondContact O-N 3.29Å; H384-F386 VanDerWaalsContact C-N 3.25Å; H384-F386 HydrophobicContact CB-CD1 4.23Å; H384-F386 HydrophobicContact CB-CD2 3.56Å; H384-F386 HydrophobicContact CB-CE1 4.08Å; H384-F386 HydrophobicContact CB-CE2 3.39Å; H384-F386 HydrophobicContact CB-CG 4.01Å; H384-F386 HydrophobicContact CB-CZ 3.69Å; H384-F386 PolarHBondContact O-N 3.08Å
387	A	97.5	Very high	88.6	Confident	7 Å²	7	65.8 Å²	65.8	6%	0.058	35%	0.348	C	S	.	.	S	Bend	trans	-142	155.4	178.6	0	0	0	0	0	111	P77 V103 L381	P77-A387 HydrophobicContact CG-CB 3.89Å; V103-A387 HydrophobicContact CB-CB 4.14Å; L381-A387 HydrophobicContact CB-CB 3.98Å; L381-A387 HydrophobicContact CD1-CB 4.36Å
388	E	95.9	Very high	86.5	Confident	127 Å²	127	69.8 Å²	69.8	59%	0.593	37%	0.374	S	S	*	.			trans	-93.6	142.2	175.2	-64.4	-59.4	140.8	0	0	110.8	V103 Q104	V103-E388 CarbonylContact C-O 3.54Å; V103-E388 VanDerWaalsContact CA-O 3.29Å; V103-E388 WeakPolarHBondContact CA-O 3.16Å; Q104-E388 PolarHBondContact N-O 3.49Å
389	P	95.5	Very high	83.9	Confident	63 Å²	63	73.4 Å²	73.4	41%	0.409	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-70	148.2	176.8	28.8	-33.5	0	0	0	112.4	R102 I382	R102-P389 WeakPolarHBondContact O-CA 3.34Å; I382-P389 HydrophobicContact CD1-CB 3.91Å
390	I	91.3	Very high	80.8	Confident	67 Å²	67	83 Å²	83	34%	0.344	48%	0.477	S	S	.	.			trans	-113.5	152.4	173.5	-67.5	-179.9	0	0	0	109.7	R102 Q104 G392 F393	R102-I390 PolarHBondContact O-N 3.31Å; Q104-I390 HydrophobicContact CB-CD1 3.8Å; Q104-I390 HydrophobicContact CB-CG1 4.12Å; Q104-I390 HydrophobicContact CG-CD1 4.26Å; I390-G392 VanDerWaalsContact C-N 3.28Å; I390-G392 PolarHBondContact O-N 3.13Å; I390-G392 VanDerWaalsContact O-N 3.14Å; I390-F393 WeakPolarHBondContact O-CB 2.99Å; I390-F393 PolarHBondContact O-N 3Å; I390-F393 VanDerWaalsContact O-N 3.15Å
391	G	76.4	Confident	80	Confident	81 Å²	81	87.1 Å²	87.1	84%	0.835	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	21.5	163.6	0	0	0	0	0	115.6	F393	G391-F393 VanDerWaalsContact C-N 3.27Å; G391-F393 PolarHBondContact O-N 2.72Å
392	G	71	Confident	79	Confident	71 Å²	71	91.7 Å²	91.7	73%	0.732	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	17.7	-177.8	0	0	0	0	0	114	I390 Q394	I390-G392 VanDerWaalsContact C-N 3.28Å; I390-G392 PolarHBondContact O-N 3.13Å; I390-G392 VanDerWaalsContact O-N 3.14Å; G392-Q394 PolarHBondContact O-N 3.41Å; G392-Q394 VanDerWaalsContact O-N 3.09Å
393	F	81	Confident	78	Confident	44 Å²	44	94.8 Å²	94.8	19%	0.193	55%	0.546	C	S	.	.			trans	-52.7	116.4	173.2	178	-106.4	0	0	0	110.4	R102 E375 A378 I382 I390 G391	R102-F393 HydrophobicContact CB-CD1 4.48Å; R102-F393 HydrophobicContact CB-CD2 4.27Å; R102-F393 HydrophobicContact CB-CG 4.22Å; R102-F393 HydrophobicContact CG-CD2 3.94Å; R102-F393 HydrophobicContact CG-CE2 4.17Å; R102-F393 HydrophobicContact CG-CG 4.38Å; E375-F393 HydrophobicContact CG-CE2 4.22Å; E375-F393 HydrophobicContact CG-CZ 4.05Å; A378-F393 HydrophobicContact CB-CD1 4.46Å; A378-F393 HydrophobicContact CB-CE1 3.71Å; A378-F393 HydrophobicContact CB-CZ 4Å; I382-F393 HydrophobicContact CD1-CD1 3.75Å; I382-F393 HydrophobicContact CD1-CE1 3.83Å; I390-F393 WeakPolarHBondContact O-CB 2.99Å; I390-F393 PolarHBondContact O-N 3Å; I390-F393 VanDerWaalsContact O-N 3.15Å; G391-F393 VanDerWaalsContact C-N 3.27Å; G391-F393 PolarHBondContact O-N 2.72Å
394	Q	74.3	Confident	76.9	Confident	168 Å²	168	92.2 Å²	92.2	79%	0.785	55%	0.547	S	S	*	.			trans	-94.7	120.5	177	-72.9	-170.8	-7	0	0	109.7	G392 V396	G392-Q394 PolarHBondContact O-N 3.41Å; G392-Q394 VanDerWaalsContact O-N 3.09Å; Q394-V396 PolarHBondContact O-N 2.86Å
395	C	71.4	Confident	75.6	Confident	30 Å²	30	93.7 Å²	93.7	20%	0.203	56%	0.562	C	S	.	*			trans	-68.4	115	178.5	-153	0	0	0	0	109.7	T379 F397	T379-C395 VanDerWaalsContact CA-SG 3.55Å; C395-F397 HydrophobicContact CB-CD2 4.3Å; C395-F397 HydrophobicContact CB-CE1 4.42Å; C395-F397 HydrophobicContact CB-CE2 3.7Å; C395-F397 HydrophobicContact CB-CZ 3.78Å; C395-F397 PolarHBondContact O-N 2.92Å; C395-F397 VanDerWaalsContact SG-CE1 3.54Å; C395-F397 WeakPolarHBondContact SG-CZ 3.35Å
396	V	66.9	Low	74.2	Confident	101 Å²	101	85 Å²	85	61%	0.612	54%	0.543	S	S	*	.			trans	-86.7	91.5	173	-172.5	0	0	0	0	107.5	Q394 P398	Q394-V396 PolarHBondContact O-N 2.86Å; V396-P398 WeakPolarHBondContact O-CD 3.32Å
397	F	63.8	Low	72.5	Confident	102 Å²	102	87.6 Å²	87.6	45%	0.447	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-71.2	126.7	171.4	-62.4	-71.5	0	0	0	108.7	T379 R383 C395 G399	T379-F397 HydrophobicContact CG2-CD1 4.42Å; R383-F397 HydrophobicContact CB-CE1 3.96Å; R383-F397 HydrophobicContact CG-CE1 4.21Å; C395-F397 HydrophobicContact CB-CD2 4.3Å; C395-F397 HydrophobicContact CB-CE1 4.42Å; C395-F397 HydrophobicContact CB-CE2 3.7Å; C395-F397 HydrophobicContact CB-CZ 3.78Å; C395-F397 PolarHBondContact O-N 2.92Å; C395-F397 VanDerWaalsContact SG-CE1 3.54Å; C395-F397 WeakPolarHBondContact SG-CZ 3.35Å; F397-G399 PolarHBondContact O-N 3.15Å; F397-G399 VanDerWaalsContact O-N 3.16Å
398	P	55.2	Low	70.6	Confident	84 Å²	84	93.8 Å²	93.8	55%	0.545	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-54.6	125.7	168.1	-20	31.2	0	0	0	108.1	V396 C400	V396-P398 WeakPolarHBondContact O-CD 3.32Å; P398-C400 PolarHBondContact O-N 3.35Å
399	G	42.4	Very low	68.4	Low	76 Å²	76	91 Å²	91	78%	0.784	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-54.4	136.1	174.8	0	0	0	0	0	110	F397	F397-G399 PolarHBondContact O-N 3.15Å; F397-G399 VanDerWaalsContact O-N 3.16Å
400	C	32.3	Very low	66	Low	205 Å²	205	93.5 Å²	93.5	100%	1.385	62%	0.624	S	S	*	*			trans	-56.5	0	-177.9	-59.4	0	0	0	0	113.4	P398	P398-C400 PolarHBondContact O-N 3.35Å

Retrieved 400 of 400 residues in 300.8 ms (Link to these results)

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