A0A087XWL3_POEFO Loading...

procollagen-proline 4-dioxygenase

Catalyzes the post-translational formation of 4-hydroxyproline in -Xaa-Pro-Gly- sequences in collagens and other proteins.

AlphaFold DB , UniProt , Accession A0A087XWL3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 536 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	30.4	Very low	246 Å²	246	169.3 Å²	169.3	100%	1.212	83%	0.827	S	S	*	*				0	122.2	0	-73.1	172.3	-172.9	0	0	107.7	N3	M1-N3 PolarHBondContact O-N 3.07Å
2	R	32.5	Very low	30.3	Very low	248 Å²	248	167.8 Å²	167.8	94%	0.936	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.1	119.5	-175.5	-89.5	168.1	157.9	163.3	-7.4	110.2
3	N	29.3	Very low	30	Very low	165 Å²	165	165.6 Å²	165.6	88%	0.882	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-92	117.4	162.1	-87.7	-5.6	0	0	0	109	M1	M1-N3 PolarHBondContact O-N 3.07Å
4	R	31.2	Very low	29.9	Very low	219 Å²	219	162 Å²	162	83%	0.826	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-75.8	124.9	178.5	-71.7	179.5	172.1	-171.6	-2.5	109.3
5	V	31.5	Very low	29.6	Very low	133 Å²	133	156.8 Å²	156.8	81%	0.806	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-74.2	116.8	163.5	176.2	0	0	0	0	107.2
6	F	28.2	Very low	29.4	Very low	174 Å²	174	154.2 Å²	154.2	76%	0.763	80%	0.796	S	S	*	*			trans	-87.4	106.2	167.7	-100.1	-88.6	0	0	0	108.2	I8	F6-I8 PolarHBondContact O-N 3.2Å
7	C	27.4	Very low	29.1	Very low	116 Å²	116	158.1 Å²	158.1	78%	0.784	80%	0.799	S	S	*	*			trans	-73.1	110.4	162	-80.4	0	0	0	0	108.3	S9	C7-S9 PolarHBondContact O-N 2.99Å
8	I	31	Very low	29.1	Very low	131 Å²	131	155.8 Å²	155.8	67%	0.672	80%	0.799	S	S	*	*			trans	-88.4	100.6	166.1	-59.8	177.6	0	0	0	106.4	F6 W10	F6-I8 PolarHBondContact O-N 3.2Å; I8-W10 PolarHBondContact O-N 3.07Å
9	S	28.5	Very low	29.6	Very low	104 Å²	104	153.5 Å²	153.5	73%	0.727	79%	0.794	S	S	*	*			trans	-71.1	105.7	167.9	-173.8	0	0	0	0	108.2	C7 V11	C7-S9 PolarHBondContact O-N 2.99Å; S9-V11 PolarHBondContact O-N 2.92Å
10	W	28.5	Very low	30.4	Very low	215 Å²	215	156.2 Å²	156.2	81%	0.814	79%	0.793	S	S	*	*			trans	-76.4	95.3	165.9	-87.2	63.6	0	0	0	108	I8 L12	I8-W10 PolarHBondContact O-N 3.07Å; W10-L12 VanDerWaalsContact C-N 3.33Å; W10-L12 PolarHBondContact O-N 3.29Å
11	V	28.3	Very low	31.5	Very low	111 Å²	111	150 Å²	150	67%	0.673	77%	0.768	S	S	*	*			trans	-71.4	96.2	161.9	176.9	0	0	0	0	106.5	S9 L13	S9-V11 PolarHBondContact O-N 2.92Å; V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 HydrophobicContact CG1-CD1 4.44Å; V11-L13 PolarHBondContact O-N 3.32Å
12	L	29.6	Very low	32.5	Very low	151 Å²	151	139.3 Å²	139.3	79%	0.791	72%	0.715	S	S	*	*			trans	-63.7	92.2	162.4	-90.2	151.4	0	0	0	107.2	W10 C14	W10-L12 VanDerWaalsContact C-N 3.33Å; W10-L12 PolarHBondContact O-N 3.29Å; L12-C14 VanDerWaalsContact C-N 3.29Å; L12-C14 PolarHBondContact O-N 2.93Å
13	L	26.7	Very low	33.9	Very low	140 Å²	140	128.6 Å²	128.6	73%	0.733	68%	0.676	S	S	*	*			trans	-61.4	100.7	158.8	-100.3	121.3	0	0	0	106.5	V11 C15	V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 HydrophobicContact CG1-CD1 4.44Å; V11-L13 PolarHBondContact O-N 3.32Å; L13-C15 PolarHBondContact O-N 3.06Å
14	C	28.5	Very low	35.6	Very low	115 Å²	115	121.9 Å²	121.9	78%	0.777	64%	0.639	S	S	*	*			trans	-66.7	78.8	167	-139.3	0	0	0	0	107.1	L12 C16	L12-C14 VanDerWaalsContact C-N 3.29Å; L12-C14 PolarHBondContact O-N 2.93Å; C14-C16 PolarHBondContact O-N 3.5Å
15	C	24.6	Very low	37.1	Very low	84 Å²	84	111.5 Å²	111.5	57%	0.568	60%	0.6	S	S	*	*			trans	-64.6	91.8	164.6	-79.2	0	0	0	0	106.3	L13 W17	L13-C15 PolarHBondContact O-N 3.06Å; C15-W17 PolarHBondContact O-N 2.82Å
16	C	26.3	Very low	38.7	Very low	115 Å²	115	105.2 Å²	105.2	78%	0.777	56%	0.562	S	S	*	*			trans	-63.2	84.1	164.3	-71.9	0	0	0	0	107.3	C14 S18	C14-C16 PolarHBondContact O-N 3.5Å; C16-S18 VanDerWaalsContact C-N 3.31Å; C16-S18 PolarHBondContact O-N 2.85Å
17	W	24.2	Very low	40.6	Very low	221 Å²	221	99.2 Å²	99.2	84%	0.837	54%	0.537	S	S	*	.			trans	-68.6	99.9	163.9	-73.7	29.7	0	0	0	104.9	C15 T19	C15-W17 PolarHBondContact O-N 2.82Å; W17-T19 PolarHBondContact O-N 2.89Å
18	S	30.8	Very low	42.5	Very low	116 Å²	116	94.8 Å²	94.8	81%	0.811	51%	0.511	S	S	*	.			trans	-59.9	97.7	161.2	-99.6	0	0	0	0	106.3	C16 R20	C16-S18 VanDerWaalsContact C-N 3.31Å; C16-S18 PolarHBondContact O-N 2.85Å; S18-R20 PolarHBondContact O-N 3.11Å
19	T	37.7	Very low	44.4	Very low	113 Å²	113	92 Å²	92	69%	0.693	50%	0.495	S	S	*	.			trans	-67.4	112.7	170.5	49.4	0	0	0	0	106.2	W17 G21	W17-T19 PolarHBondContact O-N 2.89Å; T19-G21 PolarHBondContact O-N 3.28Å; T19-G21 VanDerWaalsContact O-N 3.12Å
20	R	46.2	Very low	46.7	Very low	207 Å²	207	89.5 Å²	89.5	78%	0.781	47%	0.473	S	S	*	.			trans	-69.2	107.1	173.5	-67.9	-175	179.2	-175.6	-1.8	106.8	S18	S18-R20 PolarHBondContact O-N 3.11Å
21	G	53.8	Low	49	Very low	25 Å²	25	82.1 Å²	82.1	26%	0.258	45%	0.452	S	S	.	.			trans	-115.8	140.6	174.7	0	0	0	0	0	109.2	T19 I23 K384	T19-G21 PolarHBondContact O-N 3.28Å; T19-G21 VanDerWaalsContact O-N 3.12Å; G21-I23 PolarHBondContact O-N 3.19Å; G21-K384 PolarHBondContact O-NZ 2.72Å
22	E	58	Low	51.5	Low	22 Å²	22	81.7 Å²	81.7	10%	0.103	45%	0.446	C	S	.	.			trans	-42.1	124.1	-172.3	-73.4	173.7	-169.3	0	0	114.5	F24 T25 D128 R364 K384	E22-F24 HydrophobicContact CB-CD1 3.95Å; E22-F24 HydrophobicContact CB-CE1 3.59Å; E22-F24 HydrophobicContact CB-CZ 4.35Å; E22-F24 HydrophobicContact CG-CD1 4.46Å; E22-F24 HydrophobicContact CG-CE1 3.73Å; E22-F24 HydrophobicContact CG-CZ 4.46Å; E22-F24 WeakPolarHBondContact OE2-CE1 3.3Å; E22-F24 WeakPolarHBondContact OE2-CZ 3.39Å; E22-T25 HydrophobicContact CB-CG2 4.07Å; E22-T25 PolarHBondContact O-OG1 2.99Å; E22-T25 WeakPolarHBondContact OE2-CG2 3.14Å; E22-D128 WeakPolarHBondContact CA-OD1 3.31Å; E22-D128 VanDerWaalsContact CB-OD1 3.3Å; E22-D128 WeakPolarHBondContact CB-OD1 3.01Å; E22-R364 HydrophobicContact CB-CG 4.48Å; E22-R364 VanDerWaalsContact CD-NE 3.32Å; E22-R364 IonicContact OE1-CZ 2.85Å; E22-R364 IonicContact OE1-NE 2.83Å; E22-R364 IonicContact OE1-NH2 3.9Å; E22-R364 PolarHBondContact OE1-NH2 3.07Å; E22-R364 IonicContact OE2-CZ 3.21Å; E22-R364 IonicContact OE2-NE 3.7Å; E22-R364 PolarHBondContact OE2-NE 2.64Å; E22-R364 IonicContact OE2-NH1 3.15Å; E22-R364 IonicContact OE2-NH2 2.87Å; E22-R364 PolarHBondContact OE2-NH2 3.08Å; E22-K384 WeakPolarHBondContact O-CE 3.49Å; E22-K384 PolarHBondContact O-NZ 2.78Å
23	I	62.2	Low	54.1	Low	24 Å²	24	76.4 Å²	76.4	12%	0.123	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-73.7	-37.9	-169.1	-59.3	177.2	0	0	0	111.6	G21 T25 S26 Q29 M30 L33 Y122 P124 D128	G21-I23 PolarHBondContact O-N 3.19Å; I23-T25 PolarHBondContact O-N 3.48Å; I23-T25 VanDerWaalsContact O-N 3.1Å; I23-S26 PolarHBondContact O-N 3.4Å; I23-Q29 HydrophobicContact CG2-CB 3.87Å; I23-M30 HydrophobicContact CG2-CG 4.41Å; I23-L33 HydrophobicContact CG2-CD1 3.53Å; I23-L33 HydrophobicContact CG2-CG 4.17Å; I23-Y122 VanDerWaalsContact CD1-O 3.29Å; I23-Y122 WeakPolarHBondContact CD1-O 3.11Å; I23-P124 HydrophobicContact CD1-CB 4.37Å; I23-D128 PolarHBondContact N-OD1 2.95Å
24	F	65.3	Low	56.9	Low	23 Å²	23	74.9 Å²	74.9	10%	0.101	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-63.3	-21.9	-176.5	72.1	-89.1	0	0	0	113.7	E22 S26 D128 G131 A132 V382	E22-F24 HydrophobicContact CB-CD1 3.95Å; E22-F24 HydrophobicContact CB-CE1 3.59Å; E22-F24 HydrophobicContact CB-CZ 4.35Å; E22-F24 HydrophobicContact CG-CD1 4.46Å; E22-F24 HydrophobicContact CG-CE1 3.73Å; E22-F24 HydrophobicContact CG-CZ 4.46Å; E22-F24 WeakPolarHBondContact OE2-CE1 3.3Å; E22-F24 WeakPolarHBondContact OE2-CZ 3.39Å; F24-S26 PolarHBondContact O-N 3.39Å; F24-D128 HydrophobicContact CD1-CB 4.24Å; F24-D128 VanDerWaalsContact CD1-O 3.28Å; F24-D128 WeakPolarHBondContact CD1-O 3.38Å; F24-G131 VanDerWaalsContact CZ-C 3.44Å; F24-G131 VanDerWaalsContact CZ-CA 3.41Å; F24-A132 HydrophobicContact CB-CB 4.34Å; F24-A132 HydrophobicContact CG-CB 4.36Å; F24-V382 HydrophobicContact CE2-CG1 4.22Å
25	T	61.1	Low	59.6	Low	1 Å²	1	74.5 Å²	74.5	1%	0.006	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-73.8	-6.5	-177.8	62.6	0	0	0	0	114	E22 I23 V382 K384 G423	E22-T25 HydrophobicContact CB-CG2 4.07Å; E22-T25 PolarHBondContact O-OG1 2.99Å; E22-T25 WeakPolarHBondContact OE2-CG2 3.14Å; I23-T25 PolarHBondContact O-N 3.48Å; I23-T25 VanDerWaalsContact O-N 3.1Å; T25-V382 HydrophobicContact CG2-CG1 3.6Å; T25-K384 WeakPolarHBondContact OG1-CE 3.47Å; T25-G423 PolarHBondContact O-N 3.07Å; T25-G423 VanDerWaalsContact O-N 3.07Å
26	S	66.1	Low	62.6	Low	2 Å²	2	71.4 Å²	71.4	1%	0.014	38%	0.375	C	S	.	.			trans	-137.4	124.9	177.6	171.7	0	0	0	0	112.8	I23 F24 G28 Q29 M30 N421	I23-S26 PolarHBondContact O-N 3.4Å; F24-S26 PolarHBondContact O-N 3.39Å; S26-G28 PolarHBondContact O-N 3.49Å; S26-G28 PolarHBondContact OG-N 3.43Å; S26-Q29 PolarHBondContact O-N 2.95Å; S26-M30 PolarHBondContact O-N 2.92Å; S26-N421 VanDerWaalsContact CA-OD1 3.25Å; S26-N421 WeakPolarHBondContact CA-OD1 3.33Å; S26-N421 WeakPolarHBondContact CB-OD1 3.47Å; S26-N421 PolarHBondContact OG-OD1 2.94Å; S26-N421 VanDerWaalsContact OG-OD1 3.08Å
27	I	69.1	Low	65.6	Low	47 Å²	47	71.9 Å²	71.9	24%	0.241	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-28.3	175	-81.7	167.4	0	0	0	112	Q29 M30 T31 N421 G510	I27-Q29 VanDerWaalsContact C-N 3.34Å; I27-Q29 PolarHBondContact O-N 3.39Å; I27-M30 HydrophobicContact CB-CE 4.22Å; I27-M30 HydrophobicContact CG1-CE 3.38Å; I27-M30 PolarHBondContact O-N 3.2Å; I27-T31 WeakPolarHBondContact O-CB 3.34Å; I27-T31 PolarHBondContact O-N 2.65Å; I27-T31 PolarHBondContact O-OG1 3.43Å; I27-N421 PolarHBondContact N-OD1 2.87Å; I27-G510 WeakPolarHBondContact CD1-O 3.5Å
28	G	66.1	Low	68.8	Low	23 Å²	23	68.8 Å²	68.8	24%	0.237	36%	0.358	C	S	.	.	H	α-helix	trans	-56.9	-48.9	176.7	0	0	0	0	0	111.6	S26 T31 D32	S26-G28 PolarHBondContact O-N 3.49Å; S26-G28 PolarHBondContact OG-N 3.43Å; G28-T31 WeakPolarHBondContact O-CB 3.45Å; G28-T31 PolarHBondContact O-N 3.08Å; G28-D32 PolarHBondContact O-N 3.21Å
29	Q	70.4	Confident	71.6	Confident	72 Å²	72	68.3 Å²	68.3	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-74.2	-34.8	179.5	-67.3	-177.6	-31.3	0	0	112.9	I23 S26 I27 T31 D32 L33	I23-Q29 HydrophobicContact CG2-CB 3.87Å; S26-Q29 PolarHBondContact O-N 2.95Å; I27-Q29 VanDerWaalsContact C-N 3.34Å; I27-Q29 PolarHBondContact O-N 3.39Å; Q29-T31 PolarHBondContact O-N 2.73Å; Q29-D32 WeakPolarHBondContact O-CB 3.49Å; Q29-D32 PolarHBondContact O-N 3.41Å; Q29-L33 PolarHBondContact O-N 2.84Å; Q29-L33 VanDerWaalsContact O-N 3.13Å
30	M	76.8	Confident	74.1	Confident	53 Å²	53	63.8 Å²	63.8	26%	0.261	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-30.9	172.8	-67.8	-169.2	-68.6	0	0	112.4	I23 S26 I27 D32 L33 I34	I23-M30 HydrophobicContact CG2-CG 4.41Å; S26-M30 PolarHBondContact O-N 2.92Å; I27-M30 HydrophobicContact CB-CE 4.22Å; I27-M30 HydrophobicContact CG1-CE 3.38Å; I27-M30 PolarHBondContact O-N 3.2Å; M30-D32 VanDerWaalsContact C-N 3.34Å; M30-L33 WeakPolarHBondContact O-CB 3.12Å; M30-L33 PolarHBondContact O-N 3.49Å; M30-I34 PolarHBondContact O-N 2.84Å
31	T	77.8	Confident	76.4	Confident	60 Å²	60	56.8 Å²	56.8	37%	0.368	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-40.5	175.3	-54.8	0	0	0	0	110.9	I27 G28 Q29 L33 I34 H35	I27-T31 WeakPolarHBondContact O-CB 3.34Å; I27-T31 PolarHBondContact O-N 2.65Å; I27-T31 PolarHBondContact O-OG1 3.43Å; G28-T31 WeakPolarHBondContact O-CB 3.45Å; G28-T31 PolarHBondContact O-N 3.08Å; Q29-T31 PolarHBondContact O-N 2.73Å; T31-L33 VanDerWaalsContact C-N 3.31Å; T31-L33 PolarHBondContact O-N 2.71Å; T31-I34 PolarHBondContact O-N 3.24Å; T31-H35 PolarHBondContact O-CD2 2.84Å; T31-H35 PolarHBondContact O-N 2.81Å
32	D	79.8	Confident	78.2	Confident	101 Å²	101	60.9 Å²	60.9	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-34.3	175.4	-60.2	-28	0	0	0	112	G28 Q29 M30 H35 T36	G28-D32 PolarHBondContact O-N 3.21Å; Q29-D32 WeakPolarHBondContact O-CB 3.49Å; Q29-D32 PolarHBondContact O-N 3.41Å; M30-D32 VanDerWaalsContact C-N 3.34Å; D32-H35 PolarHBondContact O-N 3.07Å; D32-T36 PolarHBondContact O-N 2.93Å; D32-T36 PolarHBondContact O-OG1 2.92Å
33	L	85.4	Confident	79.9	Confident	41 Å²	41	60.3 Å²	60.3	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-40.9	173.8	-69.4	-176.6	0	0	0	112.6	I23 Q29 M30 T31 H35 T36 E37 Y122 P124	I23-L33 HydrophobicContact CG2-CD1 3.53Å; I23-L33 HydrophobicContact CG2-CG 4.17Å; Q29-L33 PolarHBondContact O-N 2.84Å; Q29-L33 VanDerWaalsContact O-N 3.13Å; M30-L33 WeakPolarHBondContact O-CB 3.12Å; M30-L33 PolarHBondContact O-N 3.49Å; T31-L33 VanDerWaalsContact C-N 3.31Å; T31-L33 PolarHBondContact O-N 2.71Å; L33-H35 VanDerWaalsContact C-N 3.3Å; L33-H35 PolarHBondContact O-N 3Å; L33-T36 WeakPolarHBondContact O-CB 3.34Å; L33-T36 PolarHBondContact O-N 3.34Å; L33-T36 VanDerWaalsContact O-N 3.16Å; L33-E37 PolarHBondContact O-N 2.64Å; L33-Y122 WeakPolarHBondContact CD2-O 3.49Å; L33-P124 HydrophobicContact CD1-CG 4.45Å
34	I	85.1	Confident	81.5	Confident	107 Å²	107	62.4 Å²	62.4	55%	0.549	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-40.9	177.4	-67.1	169.7	0	0	0	110.7	M30 T31 E37 K38	M30-I34 PolarHBondContact O-N 2.84Å; T31-I34 PolarHBondContact O-N 3.24Å; I34-E37 PolarHBondContact O-N 3.03Å; I34-K38 PolarHBondContact O-N 2.92Å; I34-K38 VanDerWaalsContact O-N 3.07Å
35	H	85.8	Confident	82.9	Confident	108 Å²	108	69.6 Å²	69.6	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-41.8	175.2	-70.4	-57.2	0	0	0	111.7	T31 D32 L33 K38 E39	T31-H35 PolarHBondContact O-CD2 2.84Å; T31-H35 PolarHBondContact O-N 2.81Å; D32-H35 PolarHBondContact O-N 3.07Å; L33-H35 VanDerWaalsContact C-N 3.3Å; L33-H35 PolarHBondContact O-N 3Å; H35-K38 WeakPolarHBondContact O-CB 3.33Å; H35-K38 PolarHBondContact O-N 3.09Å; H35-E39 PolarHBondContact O-N 3.26Å; H35-E39 VanDerWaalsContact O-N 3.13Å
36	T	87.4	Confident	84.5	Confident	19 Å²	19	75 Å²	75	12%	0.117	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-46.5	175.6	-60.2	0	0	0	0	111.8	D32 L33 K38 E39 L40 H119 F123	D32-T36 PolarHBondContact O-N 2.93Å; D32-T36 PolarHBondContact O-OG1 2.92Å; L33-T36 WeakPolarHBondContact O-CB 3.34Å; L33-T36 PolarHBondContact O-N 3.34Å; L33-T36 VanDerWaalsContact O-N 3.16Å; T36-K38 VanDerWaalsContact C-N 3.31Å; T36-K38 PolarHBondContact O-N 3.07Å; T36-E39 PolarHBondContact O-N 3.25Å; T36-L40 HydrophobicContact CG2-CD1 4.15Å; T36-L40 WeakPolarHBondContact O-CG 3.45Å; T36-L40 PolarHBondContact O-N 3.24Å; T36-H119 HydrophobicContact CG2-CB 3.74Å; T36-H119 WeakPolarHBondContact CG2-ND1 3.34Å; T36-F123 HydrophobicContact CG2-CE1 4.05Å
37	E	89.6	Confident	85.9	Confident	125 Å²	125	78.2 Å²	78.2	58%	0.584	38%	0.38	S	S	*	.	H	α-helix	trans	-59	-43.8	177	-176	-177.9	-156.1	0	0	111.2	L33 I34 E39 L40 V41	L33-E37 PolarHBondContact O-N 2.64Å; I34-E37 PolarHBondContact O-N 3.03Å; E37-E39 VanDerWaalsContact C-N 3.31Å; E37-E39 PolarHBondContact O-N 3.01Å; E37-L40 PolarHBondContact O-N 3.14Å; E37-L40 VanDerWaalsContact O-N 3.15Å; E37-V41 HydrophobicContact CG-CG2 4.44Å; E37-V41 WeakPolarHBondContact O-CG2 3.29Å; E37-V41 PolarHBondContact O-N 3.47Å
38	K	90	Very high	87.2	Confident	155 Å²	155	79.6 Å²	79.6	67%	0.674	39%	0.387	S	S	*	.	H	α-helix	trans	-58.9	-41.3	176.7	-176.9	-179.7	176.7	-177.9	0	112.4	I34 H35 T36 H42	I34-K38 PolarHBondContact O-N 2.92Å; I34-K38 VanDerWaalsContact O-N 3.07Å; H35-K38 WeakPolarHBondContact O-CB 3.33Å; H35-K38 PolarHBondContact O-N 3.09Å; T36-K38 VanDerWaalsContact C-N 3.31Å; T36-K38 PolarHBondContact O-N 3.07Å; K38-H42 PolarHBondContact O-N 2.63Å; K38-H42 VanDerWaalsContact O-N 3.09Å
39	E	89.2	Confident	88.6	Confident	106 Å²	106	85.4 Å²	85.4	50%	0.495	41%	0.406	S	S	.	.	H	α-helix	trans	-66	-40.2	176	-70.8	-177.6	164.6	0	0	111.9	H35 T36 E37 H42 S43 H119	H35-E39 PolarHBondContact O-N 3.26Å; H35-E39 VanDerWaalsContact O-N 3.13Å; T36-E39 PolarHBondContact O-N 3.25Å; E37-E39 VanDerWaalsContact C-N 3.31Å; E37-E39 PolarHBondContact O-N 3.01Å; E39-H42 WeakPolarHBondContact O-CB 2.78Å; E39-H42 PolarHBondContact O-N 3.32Å; E39-S43 PolarHBondContact O-N 2.78Å; E39-H119 IonicContact OE2-CE1 2.74Å; E39-H119 PolarHBondContact OE2-CE1 2.91Å; E39-H119 IonicContact OE2-NE2 3.62Å
40	L	92	Very high	89.8	Confident	18 Å²	18	83.9 Å²	83.9	9%	0.094	41%	0.406	C	S	.	.	H	α-helix	trans	-67.7	-39.3	176.9	-67.3	173.3	0	0	0	112.6	T36 E37 H42 S43 L44 I116 F123	T36-L40 HydrophobicContact CG2-CD1 4.15Å; T36-L40 WeakPolarHBondContact O-CG 3.45Å; T36-L40 PolarHBondContact O-N 3.24Å; E37-L40 PolarHBondContact O-N 3.14Å; E37-L40 VanDerWaalsContact O-N 3.15Å; L40-H42 VanDerWaalsContact C-N 3.28Å; L40-H42 PolarHBondContact O-N 2.89Å; L40-S43 PolarHBondContact O-N 3.13Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 PolarHBondContact O-N 2.9Å; L40-I116 HydrophobicContact CD2-CB 4.06Å; L40-I116 HydrophobicContact CD2-CG1 4.3Å; L40-F123 HydrophobicContact CD1-CE1 3.77Å; L40-F123 HydrophobicContact CD1-CZ 3.39Å
41	V	93.2	Very high	90.7	Very high	60 Å²	60	84 Å²	84	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-38.8	173.3	170.5	0	0	0	0	110.8	E37 L44 R45	E37-V41 HydrophobicContact CG-CG2 4.44Å; E37-V41 WeakPolarHBondContact O-CG2 3.29Å; E37-V41 PolarHBondContact O-N 3.47Å; V41-L44 PolarHBondContact O-N 2.75Å; V41-R45 WeakPolarHBondContact O-CG 3.45Å; V41-R45 PolarHBondContact O-N 3.22Å; V41-R45 VanDerWaalsContact O-N 3.08Å
42	H	92.8	Very high	91.5	Very high	111 Å²	111	87.1 Å²	87.1	51%	0.514	42%	0.416	S	S	.	.	H	α-helix	trans	-62.4	-48.8	173.9	-177.1	68.8	0	0	0	111.4	K38 E39 L40 L44 R45 E46	K38-H42 PolarHBondContact O-N 2.63Å; K38-H42 VanDerWaalsContact O-N 3.09Å; E39-H42 WeakPolarHBondContact O-CB 2.78Å; E39-H42 PolarHBondContact O-N 3.32Å; L40-H42 VanDerWaalsContact C-N 3.28Å; L40-H42 PolarHBondContact O-N 2.89Å; H42-L44 VanDerWaalsContact C-N 3.3Å; H42-L44 PolarHBondContact O-N 2.92Å; H42-R45 WeakPolarHBondContact O-CB 3.49Å; H42-R45 PolarHBondContact O-N 2.78Å; H42-R45 VanDerWaalsContact O-N 3.09Å; H42-E46 IonicContact NE2-OE1 2.7Å; H42-E46 PolarHBondContact O-N 3.23Å; H42-E46 VanDerWaalsContact O-N 3.1Å
43	S	93.4	Very high	92.3	Very high	10 Å²	10	85.6 Å²	85.6	7%	0.07	41%	0.413	C	S	.	.	H	α-helix	trans	-61.2	-37.2	177.4	-171.2	0	0	0	0	112.8	E39 L40 R45 E46 Y47 F112 N115	E39-S43 PolarHBondContact O-N 2.78Å; L40-S43 PolarHBondContact O-N 3.13Å; S43-R45 VanDerWaalsContact C-N 3.35Å; S43-R45 PolarHBondContact O-N 2.9Å; S43-E46 PolarHBondContact O-N 3.31Å; S43-Y47 PolarHBondContact O-N 2.65Å; S43-F112 WeakPolarHBondContact OG-CA 3.4Å; S43-N115 WeakPolarHBondContact CB-ND2 3.33Å
44	L	95	Very high	92.7	Very high	68 Å²	68	85.7 Å²	85.7	36%	0.356	41%	0.412	S	S	.	.	H	α-helix	trans	-62.4	-40.7	173.8	180	63.2	0	0	0	111.6	L40 V41 H42 E46 Y47 I48 F112	L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 PolarHBondContact O-N 2.9Å; V41-L44 PolarHBondContact O-N 2.75Å; H42-L44 VanDerWaalsContact C-N 3.3Å; H42-L44 PolarHBondContact O-N 2.92Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-Y47 HydrophobicContact CD1-CD1 4.1Å; L44-Y47 WeakPolarHBondContact O-CB 3.39Å; L44-Y47 PolarHBondContact O-N 2.86Å; L44-I48 HydrophobicContact CD1-CD1 4.44Å; L44-I48 HydrophobicContact CG-CD1 4.07Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.46Å; L44-I48 PolarHBondContact O-N 3.42Å; L44-F112 HydrophobicContact CB-CD2 4.21Å; L44-F112 HydrophobicContact CB-CE2 3.85Å; L44-F112 HydrophobicContact CD1-CE1 4.46Å; L44-F112 HydrophobicContact CD1-CE2 4.16Å; L44-F112 HydrophobicContact CD1-CZ 4.09Å
45	R	94.9	Very high	93.2	Very high	174 Å²	174	84.8 Å²	84.8	66%	0.657	41%	0.408	S	S	*	.	H	α-helix	trans	-64.9	-38	175.8	-72	173.4	-179.9	176.3	1.7	112.2	V41 H42 S43 I48 K49	V41-R45 WeakPolarHBondContact O-CG 3.45Å; V41-R45 PolarHBondContact O-N 3.22Å; V41-R45 VanDerWaalsContact O-N 3.08Å; H42-R45 WeakPolarHBondContact O-CB 3.49Å; H42-R45 PolarHBondContact O-N 2.78Å; H42-R45 VanDerWaalsContact O-N 3.09Å; S43-R45 VanDerWaalsContact C-N 3.35Å; S43-R45 PolarHBondContact O-N 2.9Å; R45-I48 PolarHBondContact O-N 3.2Å; R45-K49 WeakPolarHBondContact O-CB 3.48Å; R45-K49 PolarHBondContact O-N 3.1Å
46	E	94.9	Very high	93.7	Very high	116 Å²	116	82.4 Å²	82.4	54%	0.542	41%	0.407	S	S	.	.	H	α-helix	trans	-64.8	-42.8	174.8	-66	-170.9	135.2	0	0	111.7	H42 S43 L44 K49 A50	H42-E46 IonicContact NE2-OE1 2.7Å; H42-E46 PolarHBondContact O-N 3.23Å; H42-E46 VanDerWaalsContact O-N 3.1Å; S43-E46 PolarHBondContact O-N 3.31Å; L44-E46 VanDerWaalsContact C-N 3.34Å; E46-K49 PolarHBondContact O-N 3.11Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 2.83Å
47	Y	95.9	Very high	94	Very high	69 Å²	69	83.3 Å²	83.3	27%	0.271	42%	0.416	S	S	.	.	H	α-helix	trans	-58.1	-50.2	172.4	164.3	-108.8	0	0	0	111.9	S43 L44 K49 A50 E51 P108 F112	S43-Y47 PolarHBondContact O-N 2.65Å; L44-Y47 HydrophobicContact CD1-CD1 4.1Å; L44-Y47 WeakPolarHBondContact O-CB 3.39Å; L44-Y47 PolarHBondContact O-N 2.86Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 3.07Å; Y47-A50 WeakPolarHBondContact O-CB 3.26Å; Y47-A50 PolarHBondContact O-N 2.69Å; Y47-A50 VanDerWaalsContact O-N 3.11Å; Y47-E51 HydrophobicContact CD2-CG 4.16Å; Y47-E51 HydrophobicContact CE1-CG 4.31Å; Y47-E51 HydrophobicContact CE2-CG 3.47Å; Y47-E51 VanDerWaalsContact CE2-CG 3.47Å; Y47-E51 PolarHBondContact O-N 3.1Å; Y47-E51 PolarHBondContact OH-OE1 2.68Å; Y47-P108 HydrophobicContact CD2-CB 4.43Å; Y47-P108 HydrophobicContact CD2-CG 4.4Å; Y47-P108 HydrophobicContact CE2-CG 4.06Å; Y47-F112 HydrophobicContact CG-CB 4.49Å
48	I	96	Very high	94.2	Very high	75 Å²	75	79.1 Å²	79.1	39%	0.385	40%	0.399	S	S	.	.	H	α-helix	trans	-56.4	-47.4	178.2	-70.6	165.4	0	0	0	110.4	L44 R45 A50 E51 E52	L44-I48 HydrophobicContact CD1-CD1 4.44Å; L44-I48 HydrophobicContact CG-CD1 4.07Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.46Å; L44-I48 PolarHBondContact O-N 3.42Å; R45-I48 PolarHBondContact O-N 3.2Å; I48-A50 VanDerWaalsContact C-N 3.29Å; I48-A50 PolarHBondContact O-N 2.81Å; I48-E51 PolarHBondContact O-N 2.94Å; I48-E52 HydrophobicContact CG2-CG 4.32Å; I48-E52 WeakPolarHBondContact O-CG 3.34Å; I48-E52 PolarHBondContact O-N 2.82Å
49	K	96.2	Very high	94.4	Very high	146 Å²	146	77.9 Å²	77.9	64%	0.635	39%	0.393	S	S	*	.	H	α-helix	trans	-61.6	-37.6	179	-176.1	-179.8	177.7	-176	0	112.5	R45 E46 Y47 S53	R45-K49 WeakPolarHBondContact O-CB 3.48Å; R45-K49 PolarHBondContact O-N 3.1Å; E46-K49 PolarHBondContact O-N 3.11Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 3.07Å; K49-S53 WeakPolarHBondContact O-CB 3.46Å; K49-S53 PolarHBondContact O-N 3.27Å; K49-S53 PolarHBondContact O-OG 3.48Å
50	A	94.4	Very high	94.7	Very high	40 Å²	40	76.7 Å²	76.7	33%	0.331	40%	0.397	S	S	.	.	H	α-helix	trans	-67.9	-42.8	176.6	0	0	0	0	0	111.6	E46 Y47 I48 S53 K54 P108	E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 2.83Å; Y47-A50 WeakPolarHBondContact O-CB 3.26Å; Y47-A50 PolarHBondContact O-N 2.69Å; Y47-A50 VanDerWaalsContact O-N 3.11Å; I48-A50 VanDerWaalsContact C-N 3.29Å; I48-A50 PolarHBondContact O-N 2.81Å; A50-S53 PolarHBondContact O-N 3.27Å; A50-K54 WeakPolarHBondContact O-CB 3.43Å; A50-K54 PolarHBondContact O-N 3.26Å; A50-P108 HydrophobicContact CB-CB 3.69Å
51	E	95.4	Very high	94.7	Very high	55 Å²	55	78.3 Å²	78.3	26%	0.257	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-44.4	173.3	-79.9	-67.8	-176.8	0	0	112.4	Y47 I48 S53 K54 L55 P108	Y47-E51 HydrophobicContact CD2-CG 4.16Å; Y47-E51 HydrophobicContact CE1-CG 4.31Å; Y47-E51 HydrophobicContact CE2-CG 3.47Å; Y47-E51 VanDerWaalsContact CE2-CG 3.47Å; Y47-E51 PolarHBondContact O-N 3.1Å; Y47-E51 PolarHBondContact OH-OE1 2.68Å; I48-E51 PolarHBondContact O-N 2.94Å; E51-S53 VanDerWaalsContact C-N 3.3Å; E51-S53 PolarHBondContact O-N 2.88Å; E51-K54 PolarHBondContact O-N 3.4Å; E51-L55 VanDerWaalsContact O-CB 3.23Å; E51-L55 WeakPolarHBondContact O-CB 3.45Å; E51-L55 PolarHBondContact O-N 2.75Å; E51-P108 HydrophobicContact CG-CG 3.61Å; E51-P108 WeakPolarHBondContact OE1-CD 3.22Å; E51-P108 WeakPolarHBondContact OE1-CG 3.46Å
52	E	95.8	Very high	94.6	Very high	125 Å²	125	78 Å²	78	58%	0.584	41%	0.405	S	S	*	.	H	α-helix	trans	-60.4	-41	176.5	-74.5	-178.7	150.8	0	0	111.8	I48 L55 A56	I48-E52 HydrophobicContact CG2-CG 4.32Å; I48-E52 WeakPolarHBondContact O-CG 3.34Å; I48-E52 PolarHBondContact O-N 2.82Å; E52-L55 PolarHBondContact O-N 3.26Å; E52-A56 VanDerWaalsContact O-CB 3.27Å; E52-A56 WeakPolarHBondContact O-CB 3.48Å; E52-A56 PolarHBondContact O-N 2.94Å
53	S	95.1	Very high	94.6	Very high	70 Å²	70	76.6 Å²	76.6	49%	0.49	41%	0.408	S	S	.	.	H	α-helix	trans	-66.4	-43.7	177.5	-59.3	0	0	0	0	111.7	K49 A50 E51 A56 A57	K49-S53 WeakPolarHBondContact O-CB 3.46Å; K49-S53 PolarHBondContact O-N 3.27Å; K49-S53 PolarHBondContact O-OG 3.48Å; A50-S53 PolarHBondContact O-N 3.27Å; E51-S53 VanDerWaalsContact C-N 3.3Å; E51-S53 PolarHBondContact O-N 2.88Å; S53-A56 PolarHBondContact O-N 2.92Å; S53-A57 PolarHBondContact O-N 3.17Å
54	K	94.6	Very high	94.4	Very high	42 Å²	42	81.2 Å²	81.2	18%	0.183	43%	0.427	C	S	.	.	H	α-helix	trans	-60.7	-49.2	173.6	177.1	-173.9	168.7	-176.3	0	110.7	A50 E51 A56 A57 V58 L103 V104 Q106	A50-K54 WeakPolarHBondContact O-CB 3.43Å; A50-K54 PolarHBondContact O-N 3.26Å; E51-K54 PolarHBondContact O-N 3.4Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 3.41Å; K54-A57 WeakPolarHBondContact O-CB 3.38Å; K54-A57 PolarHBondContact O-N 2.66Å; K54-V58 WeakPolarHBondContact O-CG2 3.23Å; K54-V58 PolarHBondContact O-N 3.26Å; K54-L103 WeakPolarHBondContact CE-O 3.12Å; K54-L103 HydrophobicContact CG-CD1 4.39Å; K54-V104 WeakPolarHBondContact CE-O 3.31Å; K54-V104 PolarHBondContact NZ-O 2.79Å; K54-Q106 PolarHBondContact NZ-O 3.31Å
55	L	95.6	Very high	94	Very high	89 Å²	89	78.8 Å²	78.8	47%	0.466	41%	0.414	S	S	.	.	H	α-helix	trans	-61.6	-40.4	179.3	-178.2	61.6	0	0	0	111.6	E51 E52 V58 K59	E51-L55 VanDerWaalsContact O-CB 3.23Å; E51-L55 WeakPolarHBondContact O-CB 3.45Å; E51-L55 PolarHBondContact O-N 2.75Å; E52-L55 PolarHBondContact O-N 3.26Å; L55-V58 PolarHBondContact O-N 3.13Å; L55-K59 HydrophobicContact CD1-CG 4.44Å; L55-K59 HydrophobicContact CG-CD 4.26Å; L55-K59 WeakPolarHBondContact O-CB 3.37Å; L55-K59 VanDerWaalsContact O-CG 3.29Å; L55-K59 WeakPolarHBondContact O-CG 3.09Å; L55-K59 PolarHBondContact O-N 2.75Å
56	A	95.8	Very high	93.7	Very high	57 Å²	57	73.9 Å²	73.9	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-62.7	-43.1	175	0	0	0	0	0	111.8	E52 S53 K54 K59 S60	E52-A56 VanDerWaalsContact O-CB 3.27Å; E52-A56 WeakPolarHBondContact O-CB 3.48Å; E52-A56 PolarHBondContact O-N 2.94Å; S53-A56 PolarHBondContact O-N 2.92Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 3.41Å; A56-K59 PolarHBondContact O-N 2.6Å; A56-S60 WeakPolarHBondContact O-CB 3.37Å; A56-S60 PolarHBondContact O-N 2.89Å
57	A	93.5	Very high	93.2	Very high	38 Å²	38	71 Å²	71	31%	0.314	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-44.6	175	0	0	0	0	0	111.8	S53 K54 S60 W61 L103	S53-A57 PolarHBondContact O-N 3.17Å; K54-A57 WeakPolarHBondContact O-CB 3.38Å; K54-A57 PolarHBondContact O-N 2.66Å; A57-S60 WeakPolarHBondContact O-CB 3.37Å; A57-S60 PolarHBondContact O-N 3.07Å; A57-W61 PolarHBondContact O-N 3Å; A57-L103 HydrophobicContact CB-CD2 3.86Å
58	V	94.1	Very high	92.5	Very high	38 Å²	38	69.9 Å²	69.9	23%	0.23	40%	0.395	C	S	.	.	H	α-helix	trans	-63.3	-42.8	176.4	173.4	0	0	0	0	111.5	K54 L55 S60 W61 A62 L100 L103 V104	K54-V58 WeakPolarHBondContact O-CG2 3.23Å; K54-V58 PolarHBondContact O-N 3.26Å; L55-V58 PolarHBondContact O-N 3.13Å; V58-S60 VanDerWaalsContact C-N 3.33Å; V58-S60 PolarHBondContact O-N 2.73Å; V58-W61 WeakPolarHBondContact O-CB 3.27Å; V58-W61 PolarHBondContact O-N 3.37Å; V58-A62 WeakPolarHBondContact O-CB 3.34Å; V58-A62 PolarHBondContact O-N 2.84Å; V58-L100 HydrophobicContact CG2-CD1 4.47Å; V58-L103 HydrophobicContact CG2-CD2 3.91Å; V58-L103 HydrophobicContact CG2-CG 4.2Å; V58-V104 HydrophobicContact CG2-CG2 4.18Å
59	K	94.8	Very high	91.7	Very high	128 Å²	128	69.1 Å²	69.1	56%	0.557	39%	0.394	S	S	*	.	H	α-helix	trans	-60.8	-40.1	175	-77.6	175.8	177.8	176.7	0	112.2	L55 A56 A62 S63	L55-K59 HydrophobicContact CD1-CG 4.44Å; L55-K59 HydrophobicContact CG-CD 4.26Å; L55-K59 WeakPolarHBondContact O-CB 3.37Å; L55-K59 VanDerWaalsContact O-CG 3.29Å; L55-K59 WeakPolarHBondContact O-CG 3.09Å; L55-K59 PolarHBondContact O-N 2.75Å; A56-K59 PolarHBondContact O-N 2.6Å; K59-A62 PolarHBondContact O-N 3.35Å; K59-S63 WeakPolarHBondContact O-CB 3.13Å; K59-S63 PolarHBondContact O-N 3.41Å; K59-S63 PolarHBondContact O-OG 2.87Å
60	S	94.6	Very high	90.9	Very high	81 Å²	81	70.1 Å²	70.1	57%	0.566	39%	0.394	S	S	*	.	H	α-helix	trans	-64.1	-45.2	175.6	-176.7	0	0	0	0	111.6	A56 A57 V58 S63 K64	A56-S60 WeakPolarHBondContact O-CB 3.37Å; A56-S60 PolarHBondContact O-N 2.89Å; A57-S60 WeakPolarHBondContact O-CB 3.37Å; A57-S60 PolarHBondContact O-N 3.07Å; V58-S60 VanDerWaalsContact C-N 3.33Å; V58-S60 PolarHBondContact O-N 2.73Å; S60-S63 PolarHBondContact O-N 2.73Å; S60-K64 PolarHBondContact O-N 2.81Å
61	W	92.1	Very high	89.9	Confident	52 Å²	52	73.7 Å²	73.7	20%	0.197	41%	0.407	C	S	.	.	H	α-helix	trans	-58.9	-48.6	173.5	-91.6	100.7	0	0	0	112.4	A57 V58 S63 K64 L65 E96 L100	A57-W61 PolarHBondContact O-N 3Å; V58-W61 WeakPolarHBondContact O-CB 3.27Å; V58-W61 PolarHBondContact O-N 3.37Å; W61-S63 VanDerWaalsContact C-N 3.34Å; W61-S63 PolarHBondContact O-N 3.49Å; W61-K64 PolarHBondContact O-N 2.81Å; W61-L65 HydrophobicContact CE3-CD1 4.45Å; W61-L65 HydrophobicContact CE3-CG 4.49Å; W61-L65 WeakPolarHBondContact O-CB 3.49Å; W61-L65 VanDerWaalsContact O-CG 3.31Å; W61-L65 WeakPolarHBondContact O-CG 3.38Å; W61-L65 PolarHBondContact O-N 3.08Å; W61-E96 HydrophobicContact CH2-CB 3.75Å; W61-E96 HydrophobicContact CH2-CG 4.27Å; W61-E96 HydrophobicContact CZ3-CB 3.81Å; W61-L100 HydrophobicContact CB-CD1 3.94Å; W61-L100 HydrophobicContact CG-CD1 4.08Å
62	A	92.6	Very high	88.7	Confident	53 Å²	53	72.1 Å²	72.1	44%	0.438	40%	0.403	S	S	.	.	H	α-helix	trans	-58.7	-44.5	178.1	0	0	0	0	0	112	V58 K59 K64 L65 D66	V58-A62 WeakPolarHBondContact O-CB 3.34Å; V58-A62 PolarHBondContact O-N 2.84Å; K59-A62 PolarHBondContact O-N 3.35Å; A62-K64 PolarHBondContact O-N 2.87Å; A62-L65 PolarHBondContact O-N 2.81Å; A62-D66 WeakPolarHBondContact O-CB 3.17Å; A62-D66 PolarHBondContact O-N 3.26Å
63	S	92.8	Very high	87.9	Confident	82 Å²	82	71 Å²	71	57%	0.573	40%	0.404	S	S	*	.	H	α-helix	trans	-63.4	-41.7	178.6	-56.3	0	0	0	0	112.2	K59 S60 W61 A67	K59-S63 WeakPolarHBondContact O-CB 3.13Å; K59-S63 PolarHBondContact O-N 3.41Å; K59-S63 PolarHBondContact O-OG 2.87Å; S60-S63 PolarHBondContact O-N 2.73Å; W61-S63 VanDerWaalsContact C-N 3.34Å; W61-S63 PolarHBondContact O-N 3.49Å; S63-A67 PolarHBondContact O-N 2.82Å; S63-A67 VanDerWaalsContact O-N 3.15Å
64	K	88.3	Confident	87.1	Confident	108 Å²	108	72.4 Å²	72.4	47%	0.47	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-41.9	176.4	-176.6	-175.5	176.4	-168.6	0	111.7	S60 W61 A62 L68	S60-K64 PolarHBondContact O-N 2.81Å; W61-K64 PolarHBondContact O-N 2.81Å; A62-K64 PolarHBondContact O-N 2.87Å; K64-L68 HydrophobicContact CG-CD1 4.26Å; K64-L68 WeakPolarHBondContact O-CD1 3.38Å; K64-L68 VanDerWaalsContact O-CG 3.29Å; K64-L68 WeakPolarHBondContact O-CG 3.24Å; K64-L68 PolarHBondContact O-N 2.89Å
65	L	87.6	Confident	86.5	Confident	16 Å²	16	74.7 Å²	74.7	8%	0.084	43%	0.428	C	S	.	.	H	α-helix	trans	-67.1	-42.5	178.4	-70.1	173.4	0	0	0	111.5	W61 A62 A67 L68 T69 R92 W97 L100	W61-L65 HydrophobicContact CE3-CD1 4.45Å; W61-L65 HydrophobicContact CE3-CG 4.49Å; W61-L65 WeakPolarHBondContact O-CB 3.49Å; W61-L65 VanDerWaalsContact O-CG 3.31Å; W61-L65 WeakPolarHBondContact O-CG 3.38Å; W61-L65 PolarHBondContact O-N 3.08Å; A62-L65 PolarHBondContact O-N 2.81Å; L65-A67 PolarHBondContact O-N 2.82Å; L65-L68 PolarHBondContact O-N 3.44Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L65-T69 WeakPolarHBondContact O-CG2 3.17Å; L65-T69 PolarHBondContact O-N 3.13Å; L65-T69 PolarHBondContact O-OG1 3.32Å; L65-T69 VanDerWaalsContact O-OG1 3.08Å; L65-R92 HydrophobicContact CD2-CG 4.17Å; L65-W97 HydrophobicContact CD1-CH2 4.08Å; L65-W97 HydrophobicContact CD1-CZ2 3.94Å; L65-L100 HydrophobicContact CD1-CD2 3.97Å
66	D	87.4	Confident	85.8	Confident	72 Å²	72	74 Å²	74	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-60.8	-42.9	177.3	-174.2	50.1	0	0	0	112.3	A62 L68 T69 R70	A62-D66 WeakPolarHBondContact O-CB 3.17Å; A62-D66 PolarHBondContact O-N 3.26Å; D66-L68 VanDerWaalsContact C-N 3.29Å; D66-L68 PolarHBondContact O-N 2.86Å; D66-T69 WeakPolarHBondContact CA-OG1 3.47Å; D66-T69 PolarHBondContact O-N 2.91Å; D66-T69 PolarHBondContact O-OG1 3.44Å; D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.42Å; D66-R70 PolarHBondContact O-N 2.95Å; D66-R70 IonicContact OD1-NE 3.8Å; D66-R70 PolarHBondContact OD1-NE 3.01Å; D66-R70 IonicContact OD1-NH2 3.76Å; D66-R70 IonicContact OD2-CZ 2.71Å; D66-R70 IonicContact OD2-NE 2.79Å; D66-R70 PolarHBondContact OD2-NE 3.2Å; D66-R70 IonicContact OD2-NH2 2.8Å; D66-R70 PolarHBondContact OD2-NH2 3.4Å
67	A	84.8	Confident	85	Confident	55 Å²	55	79.3 Å²	79.3	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-38.2	175.1	0	0	0	0	0	112.5	S63 L65	S63-A67 PolarHBondContact O-N 2.82Å; S63-A67 VanDerWaalsContact O-N 3.15Å; L65-A67 PolarHBondContact O-N 2.82Å
68	L	81.6	Confident	84.4	Confident	45 Å²	45	79.3 Å²	79.3	24%	0.236	45%	0.448	C	S	.	.	H	α-helix	trans	-75.2	-37.1	-179.4	-71.3	169.3	0	0	0	112.7	K64 L65 D66 S72	K64-L68 HydrophobicContact CG-CD1 4.26Å; K64-L68 WeakPolarHBondContact O-CD1 3.38Å; K64-L68 VanDerWaalsContact O-CG 3.29Å; K64-L68 WeakPolarHBondContact O-CG 3.24Å; K64-L68 PolarHBondContact O-N 2.89Å; L65-L68 PolarHBondContact O-N 3.44Å; L65-L68 VanDerWaalsContact O-N 3.15Å; D66-L68 VanDerWaalsContact C-N 3.29Å; D66-L68 PolarHBondContact O-N 2.86Å; L68-S72 PolarHBondContact O-N 2.55Å; L68-S72 PolarHBondContact O-OG 2.72Å
69	T	79.7	Confident	83.8	Confident	59 Å²	59	79.5 Å²	79.5	36%	0.362	45%	0.445	S	S	.	.	H	α-helix	trans	-70.7	-36.4	179.6	47.5	0	0	0	0	112	L65 D66 L71 S72 T73	L65-T69 WeakPolarHBondContact O-CG2 3.17Å; L65-T69 PolarHBondContact O-N 3.13Å; L65-T69 PolarHBondContact O-OG1 3.32Å; L65-T69 VanDerWaalsContact O-OG1 3.08Å; D66-T69 WeakPolarHBondContact CA-OG1 3.47Å; D66-T69 PolarHBondContact O-N 2.91Å; D66-T69 PolarHBondContact O-OG1 3.44Å; T69-L71 VanDerWaalsContact C-N 3.32Å; T69-L71 PolarHBondContact O-N 3Å; T69-S72 WeakPolarHBondContact CA-OG 3.46Å; T69-S72 PolarHBondContact O-N 2.75Å; T69-S72 PolarHBondContact O-OG 2.75Å; T69-S72 VanDerWaalsContact O-OG 3.08Å; T69-T73 WeakPolarHBondContact O-CB 3.43Å; T69-T73 WeakPolarHBondContact O-CG2 3.42Å; T69-T73 PolarHBondContact O-N 2.96Å; T69-T73 VanDerWaalsContact O-N 3.14Å; T69-T73 PolarHBondContact O-OG1 3.38Å
70	R	79.4	Confident	83.3	Confident	167 Å²	167	76.9 Å²	76.9	63%	0.63	44%	0.436	S	S	*	.	H	α-helix	trans	-58.7	-40.4	174.8	-72.7	175.5	-168.8	-149	7.9	112.9	D66 T73	D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.42Å; D66-R70 PolarHBondContact O-N 2.95Å; D66-R70 IonicContact OD1-NE 3.8Å; D66-R70 PolarHBondContact OD1-NE 3.01Å; D66-R70 IonicContact OD1-NH2 3.76Å; D66-R70 IonicContact OD2-CZ 2.71Å; D66-R70 IonicContact OD2-NE 2.79Å; D66-R70 PolarHBondContact OD2-NE 3.2Å; D66-R70 IonicContact OD2-NH2 2.8Å; D66-R70 PolarHBondContact OD2-NH2 3.4Å; R70-T73 PolarHBondContact O-OG1 3.2Å
71	L	72.6	Confident	82.8	Confident	115 Å²	115	76.9 Å²	76.9	60%	0.602	44%	0.441	S	S	*	.	H	α-helix	trans	-73.8	-32.9	178.9	-70.2	168.2	0	0	0	113.2	T69 S74	T69-L71 VanDerWaalsContact C-N 3.32Å; T69-L71 PolarHBondContact O-N 3Å; L71-S74 PolarHBondContact O-OG 2.95Å
72	S	71.3	Confident	82.5	Confident	23 Å²	23	79.3 Å²	79.3	16%	0.161	45%	0.454	C	S	.	.	H	α-helix	trans	-83.1	-18.9	-177.7	59.2	0	0	0	0	114.5	L68 T69 P76	L68-S72 PolarHBondContact O-N 2.55Å; L68-S72 PolarHBondContact O-OG 2.72Å; T69-S72 WeakPolarHBondContact CA-OG 3.46Å; T69-S72 PolarHBondContact O-N 2.75Å; T69-S72 PolarHBondContact O-OG 2.75Å; T69-S72 VanDerWaalsContact O-OG 3.08Å; S72-P76 WeakPolarHBondContact O-CA 3.41Å
73	T	77.7	Confident	82.1	Confident	102 Å²	102	81.6 Å²	81.6	63%	0.626	47%	0.465	S	S	*	.	H	α-helix	trans	-91.7	-14.7	-175.2	44.6	0	0	0	0	113.7	T69 R70	T69-T73 WeakPolarHBondContact O-CB 3.43Å; T69-T73 WeakPolarHBondContact O-CG2 3.42Å; T69-T73 PolarHBondContact O-N 2.96Å; T69-T73 VanDerWaalsContact O-N 3.14Å; T69-T73 PolarHBondContact O-OG1 3.38Å; R70-T73 PolarHBondContact O-OG1 3.2Å
74	S	79.1	Confident	81.8	Confident	98 Å²	98	81.8 Å²	81.8	69%	0.685	46%	0.462	S	S	*	.	S	Bend	trans	-77.7	-28.2	177.6	54.3	0	0	0	0	114.2	L71	L71-S74 PolarHBondContact O-OG 2.95Å
75	D	80.4	Confident	81.7	Confident	90 Å²	90	78.6 Å²	78.6	48%	0.481	45%	0.45	S	S	.	.	S	Bend	trans	-154.5	83.4	172.9	175.3	18.3	0	0	0	110.2	E77 G78 Y79	D75-E77 PolarHBondContact O-N 3.25Å; D75-G78 PolarHBondContact OD1-N 3Å; D75-G78 VanDerWaalsContact OD1-N 3.08Å; D75-G78 WeakPolarHBondContact OD2-CA 3.41Å; D75-Y79 WeakPolarHBondContact O-CB 3.3Å; D75-Y79 PolarHBondContact O-N 3.21Å
76	P	82.8	Confident	81.5	Confident	74 Å²	74	79.4 Å²	79.4	48%	0.481	46%	0.459	S	S	.	.	H	α-helix	trans	-65	-38.2	-173.2	-23.9	34.6	0	0	0	114.1	S72 L80	S72-P76 WeakPolarHBondContact O-CA 3.41Å; P76-L80 WeakPolarHBondContact O-CB 3.14Å; P76-L80 VanDerWaalsContact O-CG 3.25Å; P76-L80 WeakPolarHBondContact O-CG 3.36Å; P76-L80 PolarHBondContact O-N 3.38Å; P76-L80 VanDerWaalsContact O-N 3.11Å
77	E	79.1	Confident	81.7	Confident	169 Å²	169	83.1 Å²	83.1	79%	0.79	47%	0.469	S	S	*	.	H	α-helix	trans	-76.2	-44.3	-174.9	-162.3	173.5	-170.1	0	0	111	D75 L80 A81	D75-E77 PolarHBondContact O-N 3.25Å; E77-L80 PolarHBondContact O-N 2.9Å; E77-A81 WeakPolarHBondContact O-CB 3.42Å; E77-A81 PolarHBondContact O-N 3.33Å
78	G	80.9	Confident	81.8	Confident	38 Å²	38	83.9 Å²	83.9	39%	0.392	46%	0.462	S	S	.	.	H	α-helix	trans	-68.1	-34.6	173.6	0	0	0	0	0	113.3	D75	D75-G78 PolarHBondContact OD1-N 3Å; D75-G78 VanDerWaalsContact OD1-N 3.08Å; D75-G78 WeakPolarHBondContact OD2-CA 3.41Å
79	Y	80.8	Confident	82.1	Confident	43 Å²	43	83.5 Å²	83.5	17%	0.169	46%	0.46	C	S	.	.	H	α-helix	trans	-64.4	-43.3	174.9	-178.4	-93.5	0	0	0	112.1	D75 N85	D75-Y79 WeakPolarHBondContact O-CB 3.3Å; D75-Y79 PolarHBondContact O-N 3.21Å; Y79-N85 HydrophobicContact CD1-CB 4.03Å; Y79-N85 HydrophobicContact CE1-CB 3.69Å; Y79-N85 HydrophobicContact CE2-CB 4.37Å; Y79-N85 HydrophobicContact CG-CB 4.49Å; Y79-N85 WeakPolarHBondContact O-CB 3.4Å; Y79-N85 PolarHBondContact O-ND2 2.9Å
80	L	84.9	Confident	82.5	Confident	73 Å²	73	86.1 Å²	86.1	38%	0.382	47%	0.469	S	S	.	.	H	α-helix	trans	-80.5	-17.9	-178.9	-67.7	175.7	0	0	0	114	P76 E77 H82 L89	P76-L80 WeakPolarHBondContact O-CB 3.14Å; P76-L80 VanDerWaalsContact O-CG 3.25Å; P76-L80 WeakPolarHBondContact O-CG 3.36Å; P76-L80 PolarHBondContact O-N 3.38Å; P76-L80 VanDerWaalsContact O-N 3.11Å; E77-L80 PolarHBondContact O-N 2.9Å; L80-H82 PolarHBondContact O-N 3.42Å; L80-L89 HydrophobicContact CD2-CB 4.47Å; L80-L89 HydrophobicContact CD2-CD2 3.7Å
81	A	82.9	Confident	83.1	Confident	80 Å²	80	82.3 Å²	82.3	66%	0.661	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.4	173	0	0	0	0	0	113	E77 P83	E77-A81 WeakPolarHBondContact O-CB 3.42Å; E77-A81 PolarHBondContact O-N 3.33Å; A81-P83 WeakPolarHBondContact O-CD 3.32Å
82	H	86.1	Confident	83.9	Confident	103 Å²	103	77.2 Å²	77.2	48%	0.477	43%	0.43	S	S	.	.	S	Bend	trans	-85.3	117.9	173.8	-167.1	-86.3	0	0	0	111.4	L80 V84 N85 A86	L80-H82 PolarHBondContact O-N 3.42Å; H82-V84 VanDerWaalsContact CE1-CG2 3.48Å; H82-V84 WeakPolarHBondContact CE1-CG2 3.3Å; H82-V84 WeakPolarHBondContact ND1-CB 3.38Å; H82-V84 PolarHBondContact ND1-N 3.01Å; H82-V84 PolarHBondContact O-N 3.26Å; H82-N85 HydrophobicContact CB-CB 4.4Å; H82-N85 WeakPolarHBondContact O-CB 3.24Å; H82-N85 PolarHBondContact O-N 3.43Å; H82-A86 PolarHBondContact O-N 3.03Å
83	P	83.4	Confident	84.8	Confident	102 Å²	102	80.9 Å²	80.9	66%	0.662	45%	0.447	S	S	*	.	H	α-helix	trans	-56.4	-31.3	-173.3	-28.4	35.3	0	0	0	115.3	A81 Y87	A81-P83 WeakPolarHBondContact O-CD 3.32Å; P83-Y87 WeakPolarHBondContact O-CB 3.36Å; P83-Y87 PolarHBondContact O-N 2.79Å
84	V	86.9	Confident	85.4	Confident	85 Å²	85	81.9 Å²	81.9	52%	0.515	45%	0.449	S	S	.	.	H	α-helix	trans	-67.1	-37.4	176.7	178.6	0	0	0	0	111.7	H82 K88	H82-V84 VanDerWaalsContact CE1-CG2 3.48Å; H82-V84 WeakPolarHBondContact CE1-CG2 3.3Å; H82-V84 WeakPolarHBondContact ND1-CB 3.38Å; H82-V84 PolarHBondContact ND1-N 3.01Å; H82-V84 PolarHBondContact O-N 3.26Å; V84-K88 WeakPolarHBondContact O-CB 3.41Å; V84-K88 WeakPolarHBondContact O-CG 3.21Å; V84-K88 PolarHBondContact O-N 3.29Å
85	N	85.8	Confident	86	Confident	41 Å²	41	79.7 Å²	79.7	22%	0.219	43%	0.431	C	S	.	.	H	α-helix	trans	-72.4	-41.3	-179.6	-70.6	-13.7	0	0	0	110.8	Y79 H82 K88 L89	Y79-N85 HydrophobicContact CD1-CB 4.03Å; Y79-N85 HydrophobicContact CE1-CB 3.69Å; Y79-N85 HydrophobicContact CE2-CB 4.37Å; Y79-N85 HydrophobicContact CG-CB 4.49Å; Y79-N85 WeakPolarHBondContact O-CB 3.4Å; Y79-N85 PolarHBondContact O-ND2 2.9Å; H82-N85 HydrophobicContact CB-CB 4.4Å; H82-N85 WeakPolarHBondContact O-CB 3.24Å; H82-N85 PolarHBondContact O-N 3.43Å; N85-K88 PolarHBondContact O-N 2.8Å; N85-L89 PolarHBondContact O-N 3.27Å
86	A	84.9	Confident	86.5	Confident	33 Å²	33	76 Å²	76	27%	0.273	41%	0.411	S	S	.	.	H	α-helix	trans	-58.6	-49.2	172.3	0	0	0	0	0	111.3	H82 K88 L89 M90	H82-A86 PolarHBondContact O-N 3.03Å; A86-K88 PolarHBondContact O-N 3.41Å; A86-L89 PolarHBondContact O-N 3.03Å; A86-M90 VanDerWaalsContact O-CG 3.3Å; A86-M90 WeakPolarHBondContact O-CG 3.41Å; A86-M90 PolarHBondContact O-N 3.3Å
87	Y	89.8	Confident	86.9	Confident	151 Å²	151	78.2 Å²	78.2	59%	0.592	41%	0.41	S	S	*	.	H	α-helix	trans	-59.9	-45.1	175.2	173.8	-100.1	0	0	0	112.5	P83 L89 M90 K91	P83-Y87 WeakPolarHBondContact O-CB 3.36Å; P83-Y87 PolarHBondContact O-N 2.79Å; Y87-L89 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 3.41Å; Y87-M90 PolarHBondContact O-N 3.27Å; Y87-K91 HydrophobicContact CE1-CD 4.32Å; Y87-K91 WeakPolarHBondContact O-CB 3.29Å; Y87-K91 PolarHBondContact O-N 2.88Å
88	K	87.8	Confident	87.5	Confident	70 Å²	70	73.1 Å²	73.1	30%	0.304	39%	0.393	S	S	.	.	H	α-helix	trans	-64.1	-36.5	179.2	-82.8	-65.6	-61.9	167	0	112.8	V84 N85 A86 R92 E96	V84-K88 WeakPolarHBondContact O-CB 3.41Å; V84-K88 WeakPolarHBondContact O-CG 3.21Å; V84-K88 PolarHBondContact O-N 3.29Å; N85-K88 PolarHBondContact O-N 2.8Å; A86-K88 PolarHBondContact O-N 3.41Å; K88-R92 VanDerWaalsContact O-CB 3.22Å; K88-R92 WeakPolarHBondContact O-CB 3.45Å; K88-R92 PolarHBondContact O-N 3.45Å; K88-E96 IonicContact NZ-OE1 2.92Å; K88-E96 PolarHBondContact NZ-OE1 2.03Å
89	L	88.9	Confident	88	Confident	38 Å²	38	76.4 Å²	76.4	20%	0.199	40%	0.399	C	S	.	.	H	α-helix	trans	-66.9	-46.8	173.4	177.3	65	0	0	0	111.2	L80 N85 A86 Y87 K91 R92 L93	L80-L89 HydrophobicContact CD2-CB 4.47Å; L80-L89 HydrophobicContact CD2-CD2 3.7Å; N85-L89 PolarHBondContact O-N 3.27Å; A86-L89 PolarHBondContact O-N 3.03Å; Y87-L89 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 3.41Å; L89-K91 PolarHBondContact O-N 3.34Å; L89-R92 VanDerWaalsContact CD1-NH2 3.25Å; L89-R92 PolarHBondContact O-N 3.25Å; L89-R92 VanDerWaalsContact O-N 3.17Å; L89-L93 HydrophobicContact CD1-CD1 3.92Å; L89-L93 HydrophobicContact CD1-CG 4.11Å; L89-L93 HydrophobicContact CG-CD1 4.12Å; L89-L93 PolarHBondContact O-N 3.08Å
90	M	87.8	Confident	88.5	Confident	113 Å²	113	75.3 Å²	75.3	56%	0.557	40%	0.395	S	S	*	.	H	α-helix	trans	-59.8	-47.1	177.9	-68.7	-62.3	98.6	0	0	111.6	A86 Y87 R92 L93 N94	A86-M90 VanDerWaalsContact O-CG 3.3Å; A86-M90 WeakPolarHBondContact O-CG 3.41Å; A86-M90 PolarHBondContact O-N 3.3Å; Y87-M90 PolarHBondContact O-N 3.27Å; M90-R92 VanDerWaalsContact C-N 3.31Å; M90-R92 PolarHBondContact O-N 3.14Å; M90-L93 HydrophobicContact CE-CD1 4.5Å; M90-L93 PolarHBondContact O-N 2.87Å; M90-N94 WeakPolarHBondContact O-CB 3.45Å; M90-N94 PolarHBondContact O-N 3.11Å
91	K	90.5	Very high	88.8	Confident	87 Å²	87	77.5 Å²	77.5	38%	0.378	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-41.3	174.5	-178	177	178.6	176.4	0	111.8	Y87 L89 T95 E96	Y87-K91 HydrophobicContact CE1-CD 4.32Å; Y87-K91 WeakPolarHBondContact O-CB 3.29Å; Y87-K91 PolarHBondContact O-N 2.88Å; L89-K91 PolarHBondContact O-N 3.34Å; K91-T95 WeakPolarHBondContact O-CB 3.38Å; K91-T95 PolarHBondContact O-N 3.37Å; K91-E96 PolarHBondContact O-N 3.01Å
92	R	90.6	Very high	89.3	Confident	9 Å²	9	76.9 Å²	76.9	3%	0.034	39%	0.394	C	S	.	.	I	π-helix	trans	-62.4	-51.4	-179.5	-178.2	169.5	63	-129.1	10.7	111.2	L65 K88 L89 M90 E96 W97	L65-R92 HydrophobicContact CD2-CG 4.17Å; K88-R92 VanDerWaalsContact O-CB 3.22Å; K88-R92 WeakPolarHBondContact O-CB 3.45Å; K88-R92 PolarHBondContact O-N 3.45Å; L89-R92 VanDerWaalsContact CD1-NH2 3.25Å; L89-R92 PolarHBondContact O-N 3.25Å; L89-R92 VanDerWaalsContact O-N 3.17Å; M90-R92 VanDerWaalsContact C-N 3.31Å; M90-R92 PolarHBondContact O-N 3.14Å; R92-E96 HydrophobicContact CG-CB 4.28Å; R92-E96 PolarHBondContact O-N 3.05Å; R92-W97 VanDerWaalsContact O-CD1 3.25Å; R92-W97 PolarHBondContact O-N 2.87Å
93	L	90	Very high	89.6	Confident	99 Å²	99	73.5 Å²	73.5	52%	0.518	38%	0.38	S	S	.	.	I	π-helix	trans	-67.6	-34.1	180	-67.8	175.7	0	0	0	113.4	L89 M90	L89-L93 HydrophobicContact CD1-CD1 3.92Å; L89-L93 HydrophobicContact CD1-CG 4.11Å; L89-L93 HydrophobicContact CG-CD1 4.12Å; L89-L93 PolarHBondContact O-N 3.08Å; M90-L93 HydrophobicContact CE-CD1 4.5Å; M90-L93 PolarHBondContact O-N 2.87Å
94	N	90.5	Very high	90	Very high	124 Å²	124	72.3 Å²	72.3	66%	0.663	37%	0.37	S	S	*	.	I	π-helix	trans	-86.7	-28.5	-177.2	-173.9	64.8	0	0	0	114.5	M90	M90-N94 WeakPolarHBondContact O-CB 3.45Å; M90-N94 PolarHBondContact O-N 3.11Å
95	T	90.3	Very high	90.2	Very high	51 Å²	51	74.4 Å²	74.4	31%	0.313	38%	0.378	S	S	.	.	I	π-helix	trans	-128.8	-52.8	-170.3	-51.6	0	0	0	0	112.2	K91 W97 S98 E99	K91-T95 WeakPolarHBondContact O-CB 3.38Å; K91-T95 PolarHBondContact O-N 3.37Å; T95-W97 VanDerWaalsContact C-N 3.32Å; T95-W97 PolarHBondContact O-N 2.65Å; T95-S98 PolarHBondContact O-N 3.5Å; T95-E99 WeakPolarHBondContact O-CG 3.31Å; T95-E99 PolarHBondContact O-N 2.88Å
96	E	91.1	Very high	90.5	Very high	13 Å²	13	77.8 Å²	77.8	6%	0.061	39%	0.392	C	S	.	.	I	π-helix	trans	-65.8	-34.3	-174	-59.6	-176.8	-171.8	0	0	112.1	W61 K88 K91 R92 L100	W61-E96 HydrophobicContact CH2-CB 3.75Å; W61-E96 HydrophobicContact CH2-CG 4.27Å; W61-E96 HydrophobicContact CZ3-CB 3.81Å; K88-E96 IonicContact NZ-OE1 2.92Å; K88-E96 PolarHBondContact NZ-OE1 2.03Å; K91-E96 PolarHBondContact O-N 3.01Å; R92-E96 HydrophobicContact CG-CB 4.28Å; R92-E96 PolarHBondContact O-N 3.05Å; E96-L100 PolarHBondContact O-N 3.36Å; E96-L100 VanDerWaalsContact O-N 3.14Å
97	W	91.3	Very high	90.7	Very high	121 Å²	121	80.2 Å²	80.2	46%	0.458	40%	0.401	S	S	.	.	H	α-helix	trans	-69.1	-37.3	174	-85.8	100.6	0	0	0	113.3	L65 R92 T95 L100 E101	L65-W97 HydrophobicContact CD1-CH2 4.08Å; L65-W97 HydrophobicContact CD1-CZ2 3.94Å; R92-W97 VanDerWaalsContact O-CD1 3.25Å; R92-W97 PolarHBondContact O-N 2.87Å; T95-W97 VanDerWaalsContact C-N 3.32Å; T95-W97 PolarHBondContact O-N 2.65Å; W97-L100 HydrophobicContact CE3-CD2 4.12Å; W97-L100 HydrophobicContact CZ3-CD2 4.04Å; W97-L100 PolarHBondContact O-N 2.63Å; W97-E101 WeakPolarHBondContact O-CB 3.34Å; W97-E101 PolarHBondContact O-N 2.88Å
98	S	92	Very high	90.7	Very high	62 Å²	62	74.7 Å²	74.7	43%	0.434	38%	0.384	S	S	.	.	H	α-helix	trans	-68.8	-34.3	175.4	-57.5	0	0	0	0	112.3	T95 E101 S102	T95-S98 PolarHBondContact O-N 3.5Å; S98-E101 PolarHBondContact O-N 3.1Å; S98-S102 PolarHBondContact O-N 3.27Å
99	E	91.8	Very high	90.9	Very high	107 Å²	107	72.3 Å²	72.3	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-42.4	171.7	-71.5	172.3	-174.5	0	0	111.5	T95 S102 L103	T95-E99 WeakPolarHBondContact O-CG 3.31Å; T95-E99 PolarHBondContact O-N 2.88Å; E99-S102 PolarHBondContact O-N 3.49Å; E99-L103 PolarHBondContact O-N 3.08Å
100	L	91.9	Very high	90.9	Very high	19 Å²	19	75.9 Å²	75.9	10%	0.099	40%	0.395	C	S	.	.	H	α-helix	trans	-64.5	-44.1	174.6	177.3	60.9	0	0	0	111.8	V58 W61 L65 E96 W97 S102 L103 V104	V58-L100 HydrophobicContact CG2-CD1 4.47Å; W61-L100 HydrophobicContact CB-CD1 3.94Å; W61-L100 HydrophobicContact CG-CD1 4.08Å; L65-L100 HydrophobicContact CD1-CD2 3.97Å; E96-L100 PolarHBondContact O-N 3.36Å; E96-L100 VanDerWaalsContact O-N 3.14Å; W97-L100 HydrophobicContact CE3-CD2 4.12Å; W97-L100 HydrophobicContact CZ3-CD2 4.04Å; W97-L100 PolarHBondContact O-N 2.63Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.95Å; L100-L103 PolarHBondContact O-N 2.86Å; L100-V104 HydrophobicContact CD1-CG2 4.17Å; L100-V104 HydrophobicContact CG-CG2 4.44Å; L100-V104 WeakPolarHBondContact O-CG2 3.48Å; L100-V104 PolarHBondContact O-N 2.79Å
101	E	90.8	Very high	90.9	Very high	119 Å²	119	73.1 Å²	73.1	56%	0.556	40%	0.395	S	S	*	.	H	α-helix	trans	-56.5	-46.9	175	-178.4	179.6	-167.6	0	0	111	W97 S98 L103 V104 L105	W97-E101 WeakPolarHBondContact O-CB 3.34Å; W97-E101 PolarHBondContact O-N 2.88Å; S98-E101 PolarHBondContact O-N 3.1Å; E101-L103 PolarHBondContact O-N 3.33Å; E101-V104 PolarHBondContact O-N 3.27Å; E101-L105 HydrophobicContact CG-CD1 3.91Å; E101-L105 HydrophobicContact CG-CG 4.46Å; E101-L105 WeakPolarHBondContact O-CB 3.45Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.46Å; E101-L105 PolarHBondContact O-N 2.9Å
102	S	93.3	Very high	91	Very high	67 Å²	67	70.8 Å²	70.8	47%	0.469	39%	0.386	S	S	.	.	H	α-helix	trans	-59.1	-43.8	175.9	-175.9	0	0	0	0	112.4	S98 E99 L100 L105 Q106	S98-S102 PolarHBondContact O-N 3.27Å; E99-S102 PolarHBondContact O-N 3.49Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.95Å; S102-L105 PolarHBondContact O-N 2.91Å; S102-Q106 WeakPolarHBondContact O-CG 3.37Å; S102-Q106 PolarHBondContact O-N 3.17Å; S102-Q106 VanDerWaalsContact O-N 3.16Å
103	L	91.8	Very high	91	Very high	32 Å²	32	74.2 Å²	74.2	17%	0.168	40%	0.404	C	S	.	.	H	α-helix	trans	-62.8	-41.7	176.1	177.8	65.3	0	0	0	112.1	K54 A57 V58 E99 L100 E101 L105 Q106	K54-L103 WeakPolarHBondContact CE-O 3.12Å; K54-L103 HydrophobicContact CG-CD1 4.39Å; A57-L103 HydrophobicContact CB-CD2 3.86Å; V58-L103 HydrophobicContact CG2-CD2 3.91Å; V58-L103 HydrophobicContact CG2-CG 4.2Å; E99-L103 PolarHBondContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 2.86Å; E101-L103 PolarHBondContact O-N 3.33Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L103-Q106 PolarHBondContact O-N 3.2Å
104	V	91.6	Very high	91	Very high	77 Å²	77	71.2 Å²	71.2	47%	0.467	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-39.4	179	170.4	0	0	0	0	111.2	K54 V58 L100 E101 Q106	K54-V104 WeakPolarHBondContact CE-O 3.31Å; K54-V104 PolarHBondContact NZ-O 2.79Å; V58-V104 HydrophobicContact CG2-CG2 4.18Å; L100-V104 HydrophobicContact CD1-CG2 4.17Å; L100-V104 HydrophobicContact CG-CG2 4.44Å; L100-V104 WeakPolarHBondContact O-CG2 3.48Å; L100-V104 PolarHBondContact O-N 2.79Å; E101-V104 PolarHBondContact O-N 3.27Å; V104-Q106 VanDerWaalsContact C-N 3.32Å; V104-Q106 PolarHBondContact O-N 3.12Å
105	L	92.6	Very high	90.9	Very high	130 Å²	130	67.6 Å²	67.6	68%	0.681	38%	0.377	S	S	*	.	H	α-helix	trans	-74.1	-16.4	179.3	-70.2	173.7	0	0	0	114.2	E101 S102 L103 N107	E101-L105 HydrophobicContact CG-CD1 3.91Å; E101-L105 HydrophobicContact CG-CG 4.46Å; E101-L105 WeakPolarHBondContact O-CB 3.45Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.46Å; E101-L105 PolarHBondContact O-N 2.9Å; S102-L105 PolarHBondContact O-N 2.91Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L105-N107 PolarHBondContact O-N 2.85Å
106	Q	90.4	Very high	90.9	Very high	111 Å²	111	67.5 Å²	67.5	52%	0.519	37%	0.374	S	S	.	.			trans	-60.9	127.9	175.7	-79.5	172.7	13.1	0	0	110.9	K54 S102 L103 V104 P108	K54-Q106 PolarHBondContact NZ-O 3.31Å; S102-Q106 WeakPolarHBondContact O-CG 3.37Å; S102-Q106 PolarHBondContact O-N 3.17Å; S102-Q106 VanDerWaalsContact O-N 3.16Å; L103-Q106 PolarHBondContact O-N 3.2Å; V104-Q106 VanDerWaalsContact C-N 3.32Å; V104-Q106 PolarHBondContact O-N 3.12Å; Q106-P108 VanDerWaalsContact O-CD 3.29Å; Q106-P108 WeakPolarHBondContact O-CD 3.47Å
107	N	89.7	Confident	90.9	Very high	85 Å²	85	70.2 Å²	70.2	46%	0.455	40%	0.395	S	S	.	.			trans	-101.4	103.7	176.9	-173.5	12.9	0	0	0	110.7	L105 S109 D110	L105-N107 PolarHBondContact O-N 2.85Å; N107-S109 VanDerWaalsContact CG-OG 3.24Å; N107-S109 PolarHBondContact ND2-OG 2.86Å; N107-S109 PolarHBondContact O-N 3.46Å; N107-S109 VanDerWaalsContact OD1-CB 3.29Å; N107-S109 WeakPolarHBondContact OD1-CB 3.42Å; N107-S109 PolarHBondContact OD1-N 3.32Å; N107-S109 VanDerWaalsContact OD1-N 3.09Å; N107-S109 PolarHBondContact OD1-OG 2.89Å; N107-D110 PolarHBondContact ND2-OD1 3.35Å
108	P	90.2	Very high	90.7	Very high	35 Å²	35	68.6 Å²	68.6	23%	0.227	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-4.1	177.1	29.4	-32.8	0	0	0	113.2	Y47 A50 E51 Q106 D110	Y47-P108 HydrophobicContact CD2-CB 4.43Å; Y47-P108 HydrophobicContact CD2-CG 4.4Å; Y47-P108 HydrophobicContact CE2-CG 4.06Å; A50-P108 HydrophobicContact CB-CB 3.69Å; E51-P108 HydrophobicContact CG-CG 3.61Å; E51-P108 WeakPolarHBondContact OE1-CD 3.22Å; E51-P108 WeakPolarHBondContact OE1-CG 3.46Å; Q106-P108 VanDerWaalsContact O-CD 3.29Å; Q106-P108 WeakPolarHBondContact O-CD 3.47Å; P108-D110 VanDerWaalsContact C-N 3.33Å; P108-D110 PolarHBondContact O-N 3Å
109	S	91.5	Very high	90.4	Very high	20 Å²	20	66.9 Å²	66.9	14%	0.14	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-17.1	-176.3	81.4	0	0	0	0	114.5	N107 G111 F112 I113	N107-S109 VanDerWaalsContact CG-OG 3.24Å; N107-S109 PolarHBondContact ND2-OG 2.86Å; N107-S109 PolarHBondContact O-N 3.46Å; N107-S109 VanDerWaalsContact OD1-CB 3.29Å; N107-S109 WeakPolarHBondContact OD1-CB 3.42Å; N107-S109 PolarHBondContact OD1-N 3.32Å; N107-S109 VanDerWaalsContact OD1-N 3.09Å; N107-S109 PolarHBondContact OD1-OG 2.89Å; S109-G111 VanDerWaalsContact C-N 3.27Å; S109-G111 PolarHBondContact O-N 3.17Å; S109-F112 PolarHBondContact O-N 3.29Å; S109-I113 WeakPolarHBondContact O-CB 3.41Å; S109-I113 WeakPolarHBondContact O-CG1 3.28Å; S109-I113 PolarHBondContact O-N 3.17Å
110	D	89.9	Confident	90	Very high	112 Å²	112	70.5 Å²	70.5	60%	0.599	39%	0.392	S	S	*	.	H	α-helix	trans	-56.2	-39.2	-168.8	-69.9	-8.5	0	0	0	113.2	N107 P108 G114	N107-D110 PolarHBondContact ND2-OD1 3.35Å; P108-D110 VanDerWaalsContact C-N 3.33Å; P108-D110 PolarHBondContact O-N 3Å; D110-G114 PolarHBondContact O-N 3.33Å
111	G	87.3	Confident	89.5	Confident	55 Å²	55	74.5 Å²	74.5	57%	0.567	41%	0.411	S	S	*	.	H	α-helix	trans	-65.2	-45.9	176.6	0	0	0	0	0	112.9	S109 N115	S109-G111 VanDerWaalsContact C-N 3.27Å; S109-G111 PolarHBondContact O-N 3.17Å; G111-N115 WeakPolarHBondContact O-CB 3.34Å; G111-N115 PolarHBondContact O-N 2.77Å
112	F	91.7	Very high	89	Confident	39 Å²	39	75 Å²	75	17%	0.171	41%	0.408	C	S	.	.	H	α-helix	trans	-67.1	-45.7	177.8	173	-107.3	0	0	0	112	S43 L44 Y47 S109 G114 N115 I116	S43-F112 WeakPolarHBondContact OG-CA 3.4Å; L44-F112 HydrophobicContact CB-CD2 4.21Å; L44-F112 HydrophobicContact CB-CE2 3.85Å; L44-F112 HydrophobicContact CD1-CE1 4.46Å; L44-F112 HydrophobicContact CD1-CE2 4.16Å; L44-F112 HydrophobicContact CD1-CZ 4.09Å; Y47-F112 HydrophobicContact CG-CB 4.49Å; S109-F112 PolarHBondContact O-N 3.29Å; F112-G114 VanDerWaalsContact C-N 3.34Å; F112-G114 PolarHBondContact O-N 2.99Å; F112-N115 PolarHBondContact O-N 2.73Å; F112-I116 HydrophobicContact CZ-CD1 4.28Å; F112-I116 WeakPolarHBondContact O-CG2 3.21Å; F112-I116 PolarHBondContact O-N 3.12Å
113	I	91.9	Very high	88.5	Confident	81 Å²	81	75.6 Å²	75.6	42%	0.415	40%	0.403	S	S	.	.	H	α-helix	trans	-65.3	-38.4	178.7	-63.1	-61.2	0	0	0	111.3	S109 I116 S117	S109-I113 WeakPolarHBondContact O-CB 3.41Å; S109-I113 WeakPolarHBondContact O-CG1 3.28Å; S109-I113 PolarHBondContact O-N 3.17Å; I113-I116 WeakPolarHBondContact O-CG2 3.27Å; I113-S117 VanDerWaalsContact O-CB 3.23Å; I113-S117 WeakPolarHBondContact O-CB 3.32Å; I113-S117 PolarHBondContact O-N 3Å; I113-S117 PolarHBondContact O-OG 2.56Å
114	G	89.9	Confident	88.2	Confident	36 Å²	36	77.4 Å²	77.4	37%	0.371	42%	0.416	S	S	.	.	H	α-helix	trans	-60.3	-47.9	172	0	0	0	0	0	111.6	D110 F112 S117 V118	D110-G114 PolarHBondContact O-N 3.33Å; F112-G114 VanDerWaalsContact C-N 3.34Å; F112-G114 PolarHBondContact O-N 2.99Å; G114-S117 PolarHBondContact O-N 3.01Å; G114-V118 WeakPolarHBondContact O-CG2 3.27Å; G114-V118 PolarHBondContact O-N 2.65Å; G114-V118 VanDerWaalsContact O-N 3.15Å
115	N	87.9	Confident	87.7	Confident	47 Å²	47	77.6 Å²	77.6	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-64.2	-51.3	-178.5	-161.3	24.1	0	0	0	112.4	S43 G111 F112 S117 V118 H119	S43-N115 WeakPolarHBondContact CB-ND2 3.33Å; G111-N115 WeakPolarHBondContact O-CB 3.34Å; G111-N115 PolarHBondContact O-N 2.77Å; F112-N115 PolarHBondContact O-N 2.73Å; N115-S117 PolarHBondContact O-N 3.01Å; N115-V118 PolarHBondContact O-N 3.47Å; N115-V118 VanDerWaalsContact O-N 3.16Å; N115-H119 PolarHBondContact O-CD2 3.42Å; N115-H119 VanDerWaalsContact O-CD2 3.25Å; N115-H119 PolarHBondContact O-N 3Å; N115-H119 VanDerWaalsContact O-N 3.15Å; N115-H119 PolarHBondContact OD1-CD2 2.77Å; N115-H119 VanDerWaalsContact OD1-CD2 3.28Å; N115-H119 PolarHBondContact OD1-NE2 2.92Å
116	I	91	Very high	87.2	Confident	49 Å²	49	74.7 Å²	74.7	25%	0.251	41%	0.409	S	S	.	.	H	α-helix	trans	-59.9	-37	177.9	-162.3	173.5	0	0	0	111.6	L40 F112 I113 V118 H119 R120	L40-I116 HydrophobicContact CD2-CB 4.06Å; L40-I116 HydrophobicContact CD2-CG1 4.3Å; F112-I116 HydrophobicContact CZ-CD1 4.28Å; F112-I116 WeakPolarHBondContact O-CG2 3.21Å; F112-I116 PolarHBondContact O-N 3.12Å; I113-I116 WeakPolarHBondContact O-CG2 3.27Å; I116-V118 PolarHBondContact O-N 2.84Å; I116-H119 PolarHBondContact O-N 2.83Å; I116-R120 VanDerWaalsContact O-CB 3.3Å; I116-R120 WeakPolarHBondContact O-CB 3.26Å; I116-R120 PolarHBondContact O-N 3.47Å
117	S	89.4	Confident	86.7	Confident	70 Å²	70	74.6 Å²	74.6	49%	0.49	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-37.8	179.1	-61.9	0	0	0	0	112.6	I113 G114 N115	I113-S117 VanDerWaalsContact O-CB 3.23Å; I113-S117 WeakPolarHBondContact O-CB 3.32Å; I113-S117 PolarHBondContact O-N 3Å; I113-S117 PolarHBondContact O-OG 2.56Å; G114-S117 PolarHBondContact O-N 3.01Å; N115-S117 PolarHBondContact O-N 3.01Å
118	V	88.4	Confident	86.3	Confident	87 Å²	87	71.1 Å²	71.1	53%	0.527	39%	0.39	S	S	.	.	H	α-helix	trans	-66.3	-41.3	176	170.7	0	0	0	0	111.2	G114 N115 I116 Q121	G114-V118 WeakPolarHBondContact O-CG2 3.27Å; G114-V118 PolarHBondContact O-N 2.65Å; G114-V118 VanDerWaalsContact O-N 3.15Å; N115-V118 PolarHBondContact O-N 3.47Å; N115-V118 VanDerWaalsContact O-N 3.16Å; I116-V118 PolarHBondContact O-N 2.84Å; V118-Q121 WeakPolarHBondContact O-CG 3.45Å; V118-Q121 PolarHBondContact O-NE2 2.74Å
119	H	85.3	Confident	85.9	Confident	27 Å²	27	75.7 Å²	75.7	13%	0.125	41%	0.409	C	S	.	.	H	α-helix	trans	-80.1	-23.6	-178.9	-72.8	-76.7	0	0	0	113.9	T36 E39 N115 I116 Q121 Y122 F123	T36-H119 HydrophobicContact CG2-CB 3.74Å; T36-H119 WeakPolarHBondContact CG2-ND1 3.34Å; E39-H119 IonicContact OE2-CE1 2.74Å; E39-H119 PolarHBondContact OE2-CE1 2.91Å; E39-H119 IonicContact OE2-NE2 3.62Å; N115-H119 PolarHBondContact O-CD2 3.42Å; N115-H119 VanDerWaalsContact O-CD2 3.25Å; N115-H119 PolarHBondContact O-N 3Å; N115-H119 VanDerWaalsContact O-N 3.15Å; N115-H119 PolarHBondContact OD1-CD2 2.77Å; N115-H119 VanDerWaalsContact OD1-CD2 3.28Å; N115-H119 PolarHBondContact OD1-NE2 2.92Å; I116-H119 PolarHBondContact O-N 2.83Å; H119-Q121 PolarHBondContact O-N 2.99Å; H119-Y122 WeakPolarHBondContact O-CB 3.06Å; H119-Y122 PolarHBondContact O-N 2.98Å; H119-F123 HydrophobicContact CB-CE1 4.17Å; H119-F123 WeakPolarHBondContact O-CD1 3.26Å
120	R	84.4	Confident	85.5	Confident	182 Å²	182	77.1 Å²	77.1	69%	0.687	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-55.2	-28.9	-176.6	-165.9	171.1	-164	159.7	6.2	114.1	I116 Y122 F123	I116-R120 VanDerWaalsContact O-CB 3.3Å; I116-R120 WeakPolarHBondContact O-CB 3.26Å; I116-R120 PolarHBondContact O-N 3.47Å; R120-Y122 PolarHBondContact O-N 2.63Å; R120-F123 PolarHBondContact O-N 2.92Å
121	Q	80.1	Confident	85.2	Confident	104 Å²	104	72.4 Å²	72.4	49%	0.486	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-65.6	-18.3	176.9	70.5	-173.9	-40.4	0	0	113.9	V118 H119	V118-Q121 WeakPolarHBondContact O-CG 3.45Å; V118-Q121 PolarHBondContact O-NE2 2.74Å; H119-Q121 PolarHBondContact O-N 2.99Å
122	Y	80.2	Confident	85.2	Confident	129 Å²	129	71.6 Å²	71.6	51%	0.506	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-102.7	-4.2	179.3	-53	-67	0	0	0	112.8	I23 L33 H119 R120	I23-Y122 VanDerWaalsContact CD1-O 3.29Å; I23-Y122 WeakPolarHBondContact CD1-O 3.11Å; L33-Y122 WeakPolarHBondContact CD2-O 3.49Å; H119-Y122 WeakPolarHBondContact O-CB 3.06Å; H119-Y122 PolarHBondContact O-N 2.98Å; R120-Y122 PolarHBondContact O-N 2.63Å
123	F	84	Confident	85	Confident	80 Å²	80	70.3 Å²	70.3	35%	0.351	38%	0.378	S	S	.	.	S	Bend	trans	-69.1	150.5	179.2	-80.7	18.7	0	0	0	111	T36 L40 H119 R120	T36-F123 HydrophobicContact CG2-CE1 4.05Å; L40-F123 HydrophobicContact CD1-CE1 3.77Å; L40-F123 HydrophobicContact CD1-CZ 3.39Å; H119-F123 HydrophobicContact CB-CE1 4.17Å; H119-F123 WeakPolarHBondContact O-CD1 3.26Å; R120-F123 PolarHBondContact O-N 2.92Å
124	P	84.3	Confident	84.9	Confident	70 Å²	70	69.7 Å²	69.7	46%	0.455	37%	0.373	S	S	.	.			trans	-61.5	148.4	167.6	27.8	-32.9	0	0	0	110.4	I23 L33 D128	I23-P124 HydrophobicContact CD1-CB 4.37Å; L33-P124 HydrophobicContact CD1-CG 4.45Å; P124-D128 VanDerWaalsContact CA-OD2 3.29Å; P124-D128 WeakPolarHBondContact CA-OD2 3.37Å; P124-D128 HydrophobicContact CB-CB 3.57Å
125	D	82.5	Confident	84.8	Confident	81 Å²	81	68.2 Å²	68.2	43%	0.433	36%	0.357	S	S	.	.			trans	-101.7	-173.9	172.8	65	29.6	0	0	0	111.9	E127 D128 E129	D125-E127 PolarHBondContact O-N 2.92Å; D125-E127 WeakPolarHBondContact OD1-CA 3.42Å; D125-E127 VanDerWaalsContact OD1-CB 3.31Å; D125-E127 WeakPolarHBondContact OD1-CB 3.36Å; D125-E127 PolarHBondContact OD1-N 2.97Å; D125-D128 PolarHBondContact N-OD2 3.33Å; D125-D128 WeakPolarHBondContact O-CB 3.45Å; D125-D128 PolarHBondContact O-N 2.8Å; D125-D128 PolarHBondContact OD1-N 3.25Å; D125-D128 VanDerWaalsContact OD1-N 3.14Å; D125-E129 PolarHBondContact O-N 2.98Å
126	A	80.3	Confident	85	Confident	69 Å²	69	68 Å²	68	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-66.5	-25.1	-178.8	0	0	0	0	0	113.2	T130	A126-T130 WeakPolarHBondContact O-CB 3.33Å; A126-T130 PolarHBondContact O-N 3.32Å; A126-T130 PolarHBondContact O-OG1 3.46Å
127	E	80.9	Confident	85	Confident	109 Å²	109	66.1 Å²	66.1	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-71.5	-39.5	175.5	-171.8	177.1	178	0	0	109.9	D125 T130 G131	D125-E127 PolarHBondContact O-N 2.92Å; D125-E127 WeakPolarHBondContact OD1-CA 3.42Å; D125-E127 VanDerWaalsContact OD1-CB 3.31Å; D125-E127 WeakPolarHBondContact OD1-CB 3.36Å; D125-E127 PolarHBondContact OD1-N 2.97Å; E127-T130 PolarHBondContact O-N 2.95Å; E127-G131 PolarHBondContact O-N 3.37Å
128	D	80.7	Confident	85.1	Confident	11 Å²	11	65 Å²	65	6%	0.059	33%	0.331	C	S	.	.	H	α-helix	trans	-60.5	-46	173.7	-78	-50.6	0	0	0	112.8	E22 I23 F24 P124 D125 G131 A132	E22-D128 WeakPolarHBondContact CA-OD1 3.31Å; E22-D128 VanDerWaalsContact CB-OD1 3.3Å; E22-D128 WeakPolarHBondContact CB-OD1 3.01Å; I23-D128 PolarHBondContact N-OD1 2.95Å; F24-D128 HydrophobicContact CD1-CB 4.24Å; F24-D128 VanDerWaalsContact CD1-O 3.28Å; F24-D128 WeakPolarHBondContact CD1-O 3.38Å; P124-D128 VanDerWaalsContact CA-OD2 3.29Å; P124-D128 WeakPolarHBondContact CA-OD2 3.37Å; P124-D128 HydrophobicContact CB-CB 3.57Å; D125-D128 PolarHBondContact N-OD2 3.33Å; D125-D128 WeakPolarHBondContact O-CB 3.45Å; D125-D128 PolarHBondContact O-N 2.8Å; D125-D128 PolarHBondContact OD1-N 3.25Å; D125-D128 VanDerWaalsContact OD1-N 3.14Å; D128-G131 PolarHBondContact O-N 3.25Å; D128-A132 WeakPolarHBondContact O-CB 3.14Å; D128-A132 PolarHBondContact O-N 3.43Å
129	E	81.4	Confident	85.3	Confident	132 Å²	132	60.9 Å²	60.9	62%	0.617	31%	0.306	S	S	*	.	H	α-helix	trans	-63.1	-47.5	178.3	-174.1	-178.9	173.3	0	0	111.4	D125 G131 A132 A133	D125-E129 PolarHBondContact O-N 2.98Å; E129-G131 VanDerWaalsContact C-N 3.29Å; E129-G131 PolarHBondContact O-N 3.46Å; E129-A132 PolarHBondContact O-N 2.92Å; E129-A133 PolarHBondContact O-N 2.85Å
130	T	84.6	Confident	85.6	Confident	50 Å²	50	59.6 Å²	59.6	31%	0.307	30%	0.3	S	S	.	.	H	α-helix	trans	-59.3	-42.3	175.4	-60.6	0	0	0	0	111.3	A126 E127 A133 K134 T175	A126-T130 WeakPolarHBondContact O-CB 3.33Å; A126-T130 PolarHBondContact O-N 3.32Å; A126-T130 PolarHBondContact O-OG1 3.46Å; E127-T130 PolarHBondContact O-N 2.95Å; T130-A133 PolarHBondContact O-N 2.87Å; T130-K134 HydrophobicContact CG2-CD 4.26Å; T130-K134 WeakPolarHBondContact O-CG 3.36Å; T130-K134 PolarHBondContact O-N 2.79Å; T130-T175 HydrophobicContact CG2-CG2 4Å
131	G	83.3	Confident	86	Confident	12 Å²	12	51.7 Å²	51.7	12%	0.124	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-38.8	177.8	0	0	0	0	0	112.9	F24 E127 D128 E129 K134 A135	F24-G131 VanDerWaalsContact CZ-C 3.44Å; F24-G131 VanDerWaalsContact CZ-CA 3.41Å; E127-G131 PolarHBondContact O-N 3.37Å; D128-G131 PolarHBondContact O-N 3.25Å; E129-G131 VanDerWaalsContact C-N 3.29Å; E129-G131 PolarHBondContact O-N 3.46Å; G131-K134 PolarHBondContact O-N 3.01Å; G131-A135 WeakPolarHBondContact O-CB 3.23Å; G131-A135 PolarHBondContact O-N 3.5Å
132	A	86.1	Confident	86.6	Confident	38 Å²	38	46.9 Å²	46.9	31%	0.314	25%	0.249	S	C	.	.	H	α-helix	trans	-64.5	-44.3	173.5	0	0	0	0	0	111.9	F24 D128 E129 K134 A135 L136	F24-A132 HydrophobicContact CB-CB 4.34Å; F24-A132 HydrophobicContact CG-CB 4.36Å; D128-A132 WeakPolarHBondContact O-CB 3.14Å; D128-A132 PolarHBondContact O-N 3.43Å; E129-A132 PolarHBondContact O-N 2.92Å; A132-K134 PolarHBondContact O-N 3.33Å; A132-A135 WeakPolarHBondContact O-CB 3.47Å; A132-A135 PolarHBondContact O-N 3.4Å; A132-A135 VanDerWaalsContact O-N 3.13Å; A132-L136 PolarHBondContact O-N 3Å
133	A	89.3	Confident	87.2	Confident	12 Å²	12	42 Å²	42	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-44.6	176	0	0	0	0	0	112	E129 T130 A135 L136 M137 T175	E129-A133 PolarHBondContact O-N 2.85Å; T130-A133 PolarHBondContact O-N 2.87Å; A133-A135 VanDerWaalsContact C-N 3.3Å; A133-A135 PolarHBondContact O-N 3.08Å; A133-L136 WeakPolarHBondContact O-CB 3.37Å; A133-L136 PolarHBondContact O-N 2.73Å; A133-M137 WeakPolarHBondContact O-CG 3.23Å; A133-M137 PolarHBondContact O-N 2.93Å; A133-T175 HydrophobicContact CB-CG2 4.06Å
134	K	88.1	Confident	87.5	Confident	68 Å²	68	43.5 Å²	43.5	30%	0.296	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-36.2	174.4	-71.4	174.3	-177.5	-171.4	0	112.6	T130 G131 A132 L136 M137 R138 D179	T130-K134 HydrophobicContact CG2-CD 4.26Å; T130-K134 WeakPolarHBondContact O-CG 3.36Å; T130-K134 PolarHBondContact O-N 2.79Å; G131-K134 PolarHBondContact O-N 3.01Å; A132-K134 PolarHBondContact O-N 3.33Å; K134-L136 VanDerWaalsContact C-N 3.34Å; K134-M137 PolarHBondContact O-N 3.03Å; K134-R138 WeakPolarHBondContact O-CB 3.44Å; K134-R138 PolarHBondContact O-N 2.93Å; K134-D179 WeakPolarHBondContact CE-OD2 3.29Å; K134-D179 IonicContact NZ-OD1 3.29Å; K134-D179 IonicContact NZ-OD2 3.71Å; K134-D179 PolarHBondContact NZ-OD2 3.46Å
135	A	89	Confident	87.9	Confident	5 Å²	5	40.7 Å²	40.7	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-40.1	175.2	0	0	0	0	0	111.4	G131 A132 A133 R138 L139	G131-A135 WeakPolarHBondContact O-CB 3.23Å; G131-A135 PolarHBondContact O-N 3.5Å; A132-A135 WeakPolarHBondContact O-CB 3.47Å; A132-A135 PolarHBondContact O-N 3.4Å; A132-A135 VanDerWaalsContact O-N 3.13Å; A133-A135 VanDerWaalsContact C-N 3.3Å; A133-A135 PolarHBondContact O-N 3.08Å; A135-R138 PolarHBondContact O-N 3Å; A135-L139 WeakPolarHBondContact O-CG 3.38Å; A135-L139 PolarHBondContact O-N 2.91Å; A135-L139 VanDerWaalsContact O-N 3.07Å
136	L	90.9	Very high	88.3	Confident	44 Å²	44	39.7 Å²	39.7	23%	0.23	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-45.6	174.2	-63.9	177.1	0	0	0	111.8	A132 A133 K134 R138 L139 Q140 F150 M172	A132-L136 PolarHBondContact O-N 3Å; A133-L136 WeakPolarHBondContact O-CB 3.37Å; A133-L136 PolarHBondContact O-N 2.73Å; K134-L136 VanDerWaalsContact C-N 3.34Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 3.28Å; L136-L139 WeakPolarHBondContact O-CB 3.41Å; L136-L139 PolarHBondContact O-N 3.35Å; L136-L139 VanDerWaalsContact O-N 3.07Å; L136-Q140 PolarHBondContact O-N 3.11Å; L136-F150 HydrophobicContact CB-CE1 4.12Å; L136-F150 HydrophobicContact CB-CZ 4.01Å; L136-F150 HydrophobicContact CD2-CE1 4.5Å; L136-F150 HydrophobicContact CD2-CE2 4.1Å; L136-F150 HydrophobicContact CD2-CZ 3.58Å; L136-F150 HydrophobicContact CG-CZ 4.33Å; L136-F150 WeakPolarHBondContact O-CE1 3.48Å; L136-M172 HydrophobicContact CB-CE 3.71Å; L136-M172 HydrophobicContact CD1-CE 3.93Å; L136-M172 HydrophobicContact CD1-SD 4.12Å; L136-M172 HydrophobicContact CG-CE 4.48Å
137	M	91.7	Very high	88.8	Confident	9 Å²	9	36.8 Å²	36.8	4%	0.044	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-40.5	176.3	-66.5	168	-167.1	0	0	112	A133 K134 L139 Q140 D141 M172 A176 H184	A133-M137 WeakPolarHBondContact O-CG 3.23Å; A133-M137 PolarHBondContact O-N 2.93Å; K134-M137 PolarHBondContact O-N 3.03Å; M137-L139 VanDerWaalsContact C-N 3.32Å; M137-L139 PolarHBondContact O-N 3.34Å; M137-Q140 WeakPolarHBondContact O-CA 3.47Å; M137-Q140 WeakPolarHBondContact O-CB 3.02Å; M137-Q140 PolarHBondContact O-N 3.46Å; M137-Q140 VanDerWaalsContact O-N 3.11Å; M137-D141 PolarHBondContact O-N 2.91Å; M137-M172 HydrophobicContact CE-CB 4.19Å; M137-M172 HydrophobicContact CE-CE 4.3Å; M137-M172 WeakPolarHBondContact CE-O 3.35Å; M137-M172 HydrophobicContact CG-CE 4.31Å; M137-A176 HydrophobicContact CE-CB 3.77Å; M137-A176 HydrophobicContact SD-CB 3.98Å; M137-H184 HydrophobicContact CG-CB 4.31Å; M137-H184 HydrophobicContact SD-CB 4.08Å
138	R	91.1	Very high	89.2	Confident	45 Å²	45	34.3 Å²	34.3	17%	0.17	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-41	173	175.3	-169.5	-63.5	172.1	-1.5	112.9	K134 A135 L136 Q140 T142 N379 G425 Q427 P506	K134-R138 WeakPolarHBondContact O-CB 3.44Å; K134-R138 PolarHBondContact O-N 2.93Å; A135-R138 PolarHBondContact O-N 3Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 3.28Å; R138-Q140 VanDerWaalsContact C-N 3.29Å; R138-T142 WeakPolarHBondContact O-CB 3.38Å; R138-T142 PolarHBondContact O-N 2.98Å; R138-T142 PolarHBondContact O-OG1 3.42Å; R138-N379 PolarHBondContact NH2-O 3.17Å; R138-G425 WeakPolarHBondContact CD-O 3.39Å; R138-G425 PolarHBondContact NH1-O 3.44Å; R138-Q427 VanDerWaalsContact CD-CD 3.46Å; R138-P506 HydrophobicContact CG-CG 4.03Å
139	L	92.8	Very high	89.6	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-39.4	174.9	-69.2	173.7	0	0	0	110.8	A135 L136 M137 T142 Y143 L145 F150 V424 P506 L508	A135-L139 WeakPolarHBondContact O-CG 3.38Å; A135-L139 PolarHBondContact O-N 2.91Å; A135-L139 VanDerWaalsContact O-N 3.07Å; L136-L139 WeakPolarHBondContact O-CB 3.41Å; L136-L139 PolarHBondContact O-N 3.35Å; L136-L139 VanDerWaalsContact O-N 3.07Å; M137-L139 VanDerWaalsContact C-N 3.32Å; M137-L139 PolarHBondContact O-N 3.34Å; L139-T142 PolarHBondContact O-N 2.95Å; L139-Y143 HydrophobicContact CB-CD2 4.49Å; L139-Y143 HydrophobicContact CD2-CD2 3.88Å; L139-Y143 HydrophobicContact CD2-CE2 3.63Å; L139-Y143 WeakPolarHBondContact O-CB 3.37Å; L139-Y143 PolarHBondContact O-N 3.11Å; L139-L145 HydrophobicContact CB-CD1 4.29Å; L139-F150 HydrophobicContact CB-CZ 4.42Å; L139-V424 HydrophobicContact CD1-CG1 3.76Å; L139-P506 HydrophobicContact CD2-CB 3.67Å; L139-L508 HydrophobicContact CB-CD1 4.28Å; L139-L508 HydrophobicContact CD1-CD1 4.22Å; L139-L508 HydrophobicContact CD2-CB 4.34Å; L139-L508 HydrophobicContact CD2-CD1 4Å; L139-L508 HydrophobicContact CG-CD1 4.4Å
140	Q	92.7	Very high	90	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.9	-51.7	174.9	-164.9	-176.5	4.5	0	0	111.4	L136 M137 R138 Q144 L145 S147 F150 H184	L136-Q140 PolarHBondContact O-N 3.11Å; M137-Q140 WeakPolarHBondContact O-CA 3.47Å; M137-Q140 WeakPolarHBondContact O-CB 3.02Å; M137-Q140 PolarHBondContact O-N 3.46Å; M137-Q140 VanDerWaalsContact O-N 3.11Å; R138-Q140 VanDerWaalsContact C-N 3.29Å; Q140-Q144 CarbonylContact O-C 3.55Å; Q140-Q144 VanDerWaalsContact O-CA 3.24Å; Q140-Q144 WeakPolarHBondContact O-CA 3.36Å; Q140-Q144 PolarHBondContact O-N 3.31Å; Q140-L145 HydrophobicContact CG-CB 4.38Å; Q140-L145 WeakPolarHBondContact CG-O 3.49Å; Q140-L145 PolarHBondContact NE2-O 3.44Å; Q140-L145 PolarHBondContact O-N 2.76Å; Q140-S147 PolarHBondContact NE2-OG 3.44Å; Q140-F150 HydrophobicContact CB-CD1 4.41Å; Q140-F150 HydrophobicContact CB-CE1 4.27Å; Q140-H184 PolarHBondContact OE1-CD2 3.36Å
141	D	91.6	Very high	90.3	Very high	16 Å²	16	27.8 Å²	27.8	9%	0.086	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-56.6	176.8	-82.3	-19.4	0	0	0	111.8	M137 Y143 Q144 H184 R280	M137-D141 PolarHBondContact O-N 2.91Å; D141-Y143 VanDerWaalsContact C-N 3.31Å; D141-Y143 PolarHBondContact O-N 3.27Å; D141-Q144 PolarHBondContact O-N 3.23Å; D141-H184 VanDerWaalsContact CG-CE1 3.5Å; D141-H184 IonicContact OD1-CE1 2.72Å; D141-H184 PolarHBondContact OD1-CE1 3.12Å; D141-H184 IonicContact OD1-NE2 2.6Å; D141-H184 PolarHBondContact OD1-NE2 3.32Å; D141-H184 VanDerWaalsContact OD1-NE2 3.1Å; D141-H184 IonicContact OD2-CE1 3.44Å; D141-H184 PolarHBondContact OD2-CE1 2.87Å; D141-H184 IonicContact OD2-NE2 3.66Å; D141-H184 PolarHBondContact OD2-NE2 3.44Å; D141-R280 IonicContact OD2-CZ 3.61Å; D141-R280 IonicContact OD2-NE 3.1Å; D141-R280 PolarHBondContact OD2-NE 3.36Å; D141-R280 IonicContact OD2-NH1 2.75Å; D141-R280 IonicContact OD2-NH2 2.7Å
142	T	92.6	Very high	90.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-42.8	-169.7	-57.4	0	0	0	0	111.6	R138 L139 E292 C295 R296 P506	R138-T142 WeakPolarHBondContact O-CB 3.38Å; R138-T142 PolarHBondContact O-N 2.98Å; R138-T142 PolarHBondContact O-OG1 3.42Å; L139-T142 PolarHBondContact O-N 2.95Å; T142-E292 HydrophobicContact CG2-CB 4.39Å; T142-E292 HydrophobicContact CG2-CG 4.27Å; T142-C295 HydrophobicContact CG2-CB 3.51Å; T142-R296 WeakPolarHBondContact O-CD 3.49Å; T142-R296 WeakPolarHBondContact O-CG 3.42Å; T142-R296 PolarHBondContact O-NH1 2.92Å; T142-P506 HydrophobicContact CG2-CG 4.06Å
143	Y	92.6	Very high	90.7	Very high	26 Å²	26	29.6 Å²	29.6	10%	0.102	15%	0.15	C	C	.	.	H	α-helix	trans	-101.4	8.8	-175.2	-61.7	-73.4	0	0	0	113.8	L139 D141 L145 C295 R296 G465 P506 L508	L139-Y143 HydrophobicContact CB-CD2 4.49Å; L139-Y143 HydrophobicContact CD2-CD2 3.88Å; L139-Y143 HydrophobicContact CD2-CE2 3.63Å; L139-Y143 WeakPolarHBondContact O-CB 3.37Å; L139-Y143 PolarHBondContact O-N 3.11Å; D141-Y143 VanDerWaalsContact C-N 3.31Å; D141-Y143 PolarHBondContact O-N 3.27Å; Y143-L145 VanDerWaalsContact C-N 3.28Å; Y143-L145 PolarHBondContact O-N 2.76Å; Y143-C295 HydrophobicContact CE1-CB 4.26Å; Y143-C295 WeakPolarHBondContact CE1-O 3.48Å; Y143-R296 HydrophobicContact CD1-CG 4.22Å; Y143-G465 WeakPolarHBondContact OH-CA 3.38Å; Y143-P506 HydrophobicContact CE2-CB 4.31Å; Y143-P506 PolarHBondContact OH-O 3.15Å; Y143-L508 HydrophobicContact CD1-CD2 4.32Å; Y143-L508 HydrophobicContact CD2-CB 4.18Å; Y143-L508 HydrophobicContact CD2-CD1 3.94Å; Y143-L508 HydrophobicContact CD2-CD2 4.2Å; Y143-L508 HydrophobicContact CD2-CG 4.33Å; Y143-L508 HydrophobicContact CE2-CB 3.81Å; Y143-L508 HydrophobicContact CE2-CD1 4.37Å; Y143-L508 HydrophobicContact CE2-CG 4.45Å; Y143-L508 HydrophobicContact CG-CD2 4.09Å
144	Q	92.1	Very high	90.5	Very high	113 Å²	113	34.8 Å²	34.8	53%	0.528	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	48.2	-178.6	-63.3	179.6	-3	0	0	112.6	Q140 D141 L275 R296	Q140-Q144 CarbonylContact O-C 3.55Å; Q140-Q144 VanDerWaalsContact O-CA 3.24Å; Q140-Q144 WeakPolarHBondContact O-CA 3.36Å; Q140-Q144 PolarHBondContact O-N 3.31Å; D141-Q144 PolarHBondContact O-N 3.23Å; Q144-L275 HydrophobicContact CB-CD2 3.89Å; Q144-R296 VanDerWaalsContact NE2-CZ 3.33Å
145	L	91.5	Very high	90.3	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.058	16%	0.164	C	C	.	.			trans	-80.9	126.8	-177.1	-50.9	173.1	0	0	0	109.9	L139 Q140 Y143 F150 L155 P156 L508	L139-L145 HydrophobicContact CB-CD1 4.29Å; Q140-L145 HydrophobicContact CG-CB 4.38Å; Q140-L145 WeakPolarHBondContact CG-O 3.49Å; Q140-L145 PolarHBondContact NE2-O 3.44Å; Q140-L145 PolarHBondContact O-N 2.76Å; Y143-L145 VanDerWaalsContact C-N 3.28Å; Y143-L145 PolarHBondContact O-N 2.76Å; L145-F150 HydrophobicContact CB-CB 4.45Å; L145-F150 HydrophobicContact CB-CD1 4.22Å; L145-F150 HydrophobicContact CB-CG 4.46Å; L145-F150 HydrophobicContact CD1-CD1 4.15Å; L145-F150 HydrophobicContact CD1-CE1 4.05Å; L145-F150 HydrophobicContact CD1-CE2 4.43Å; L145-F150 HydrophobicContact CD1-CG 4.39Å; L145-F150 HydrophobicContact CD1-CZ 4.17Å; L145-L155 HydrophobicContact CD1-CD2 3.69Å; L145-L155 HydrophobicContact CD2-CD2 4.19Å; L145-P156 HydrophobicContact CD2-CG 4.16Å; L145-L508 HydrophobicContact CD1-CD1 3.94Å
146	D	90.4	Very high	89.6	Confident	60 Å²	60	36.9 Å²	36.9	32%	0.321	19%	0.189	S	C	.	.			trans	-68.5	137.3	171.1	169.8	69.4	0	0	0	110.8	E148 A149 F150	D146-E148 VanDerWaalsContact C-N 3.26Å; D146-E148 PolarHBondContact O-N 3.4Å; D146-E148 WeakPolarHBondContact OD2-CA 3.31Å; D146-E148 WeakPolarHBondContact OD2-CB 3.42Å; D146-E148 PolarHBondContact OD2-N 2.92Å; D146-A149 HydrophobicContact CB-CB 4.42Å; D146-A149 PolarHBondContact O-N 3.18Å; D146-A149 PolarHBondContact OD2-N 3.27Å; D146-F150 WeakPolarHBondContact O-CB 3.41Å; D146-F150 PolarHBondContact O-N 3.23Å
147	S	90.9	Very high	88.6	Confident	8 Å²	8	38.6 Å²	38.6	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-33.5	-177.6	-74.5	0	0	0	0	112.9	Q140 S151	Q140-S147 PolarHBondContact NE2-OG 3.44Å; S147-S151 VanDerWaalsContact O-CB 3.26Å; S147-S151 WeakPolarHBondContact O-CB 3.34Å; S147-S151 PolarHBondContact O-N 2.93Å
148	E	90.8	Very high	87.9	Confident	57 Å²	57	39.4 Å²	39.4	27%	0.266	22%	0.223	S	C	.	.	H	α-helix	trans	-74.6	-47.3	-179.7	-178.3	-173.3	177.4	0	0	112	D146 F150 S151 K152 K194	D146-E148 VanDerWaalsContact C-N 3.26Å; D146-E148 PolarHBondContact O-N 3.4Å; D146-E148 WeakPolarHBondContact OD2-CA 3.31Å; D146-E148 WeakPolarHBondContact OD2-CB 3.42Å; D146-E148 PolarHBondContact OD2-N 2.92Å; E148-F150 VanDerWaalsContact C-N 3.26Å; E148-F150 PolarHBondContact O-N 3Å; E148-S151 PolarHBondContact O-N 3.5Å; E148-S151 PolarHBondContact O-OG 3.03Å; E148-K152 HydrophobicContact CG-CD 4.21Å; E148-K152 WeakPolarHBondContact O-CG 3.38Å; E148-K152 PolarHBondContact O-N 3Å; E148-K152 IonicContact OE1-NZ 3.68Å; E148-K152 PolarHBondContact OE1-NZ 2.86Å; E148-K194 VanDerWaalsContact CD-NZ 3.26Å; E148-K194 IonicContact OE1-NZ 3.67Å; E148-K194 IonicContact OE2-NZ 3.31Å; E148-K194 PolarHBondContact OE2-NZ 3.07Å
149	A	88.1	Confident	87.1	Confident	35 Å²	35	44.6 Å²	44.6	29%	0.289	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-42.8	175.3	0	0	0	0	0	110.6	D146 K152 G153 K154	D146-A149 HydrophobicContact CB-CB 4.42Å; D146-A149 PolarHBondContact O-N 3.18Å; D146-A149 PolarHBondContact OD2-N 3.27Å; A149-K152 PolarHBondContact O-N 2.98Å; A149-G153 PolarHBondContact O-N 3.2Å; A149-K154 HydrophobicContact CB-CB 4.36Å; A149-K154 WeakPolarHBondContact O-CB 3.25Å; A149-K154 PolarHBondContact O-N 2.88Å
150	F	89.7	Confident	86.5	Confident	19 Å²	19	47.7 Å²	47.7	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-44.1	-179	-164	-173.3	0	0	0	112.1	L136 L139 Q140 L145 D146 E148 K152 G153 L155 W188	L136-F150 HydrophobicContact CB-CE1 4.12Å; L136-F150 HydrophobicContact CB-CZ 4.01Å; L136-F150 HydrophobicContact CD2-CE1 4.5Å; L136-F150 HydrophobicContact CD2-CE2 4.1Å; L136-F150 HydrophobicContact CD2-CZ 3.58Å; L136-F150 HydrophobicContact CG-CZ 4.33Å; L136-F150 WeakPolarHBondContact O-CE1 3.48Å; L139-F150 HydrophobicContact CB-CZ 4.42Å; Q140-F150 HydrophobicContact CB-CD1 4.41Å; Q140-F150 HydrophobicContact CB-CE1 4.27Å; L145-F150 HydrophobicContact CB-CB 4.45Å; L145-F150 HydrophobicContact CB-CD1 4.22Å; L145-F150 HydrophobicContact CB-CG 4.46Å; L145-F150 HydrophobicContact CD1-CD1 4.15Å; L145-F150 HydrophobicContact CD1-CE1 4.05Å; L145-F150 HydrophobicContact CD1-CE2 4.43Å; L145-F150 HydrophobicContact CD1-CG 4.39Å; L145-F150 HydrophobicContact CD1-CZ 4.17Å; D146-F150 WeakPolarHBondContact O-CB 3.41Å; D146-F150 PolarHBondContact O-N 3.23Å; E148-F150 VanDerWaalsContact C-N 3.26Å; E148-F150 PolarHBondContact O-N 3Å; F150-K152 PolarHBondContact O-N 2.96Å; F150-G153 PolarHBondContact O-N 3.17Å; F150-L155 HydrophobicContact CD2-CD2 3.73Å; F150-L155 HydrophobicContact CE2-CD2 3.92Å; F150-L155 HydrophobicContact CG-CD2 4.48Å; F150-W188 HydrophobicContact CD1-CH2 4.14Å; F150-W188 HydrophobicContact CD1-CZ2 4.06Å; F150-W188 HydrophobicContact CE1-CZ2 4.47Å
151	S	91.9	Very high	86	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.007	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-26.7	177.1	86.6	0	0	0	0	112.4	S147 E148 G153 V163 L164 Q191 Q195	S147-S151 VanDerWaalsContact O-CB 3.26Å; S147-S151 WeakPolarHBondContact O-CB 3.34Å; S147-S151 PolarHBondContact O-N 2.93Å; E148-S151 PolarHBondContact O-N 3.5Å; E148-S151 PolarHBondContact O-OG 3.03Å; S151-G153 VanDerWaalsContact C-N 3.32Å; S151-V163 CarbonylContact O-C 3.5Å; S151-V163 VanDerWaalsContact O-CA 3.3Å; S151-V163 WeakPolarHBondContact O-CA 3.29Å; S151-V163 WeakPolarHBondContact O-CG1 3.07Å; S151-L164 PolarHBondContact O-N 2.89Å; S151-Q191 PolarHBondContact OG-NE2 2.9Å; S151-Q195 PolarHBondContact OG-NE2 3.29Å
152	K	90.3	Very high	85.7	Confident	75 Å²	75	58 Å²	58	33%	0.326	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	12.5	177.4	-65.6	174.9	-177.7	174.6	0	113.7	E148 A149 F150 K154	E148-K152 HydrophobicContact CG-CD 4.21Å; E148-K152 WeakPolarHBondContact O-CG 3.38Å; E148-K152 PolarHBondContact O-N 3Å; E148-K152 IonicContact OE1-NZ 3.68Å; E148-K152 PolarHBondContact OE1-NZ 2.86Å; A149-K152 PolarHBondContact O-N 2.98Å; F150-K152 PolarHBondContact O-N 2.96Å; K152-K154 HydrophobicContact CB-CD 4.43Å; K152-K154 HydrophobicContact CB-CG 4.38Å; K152-K154 PolarHBondContact O-N 2.59Å
153	G	86.5	Confident	85.7	Confident	13 Å²	13	61.9 Å²	61.9	13%	0.134	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	19.5	179.5	0	0	0	0	0	114.1	A149 F150 S151 S160	A149-G153 PolarHBondContact O-N 3.2Å; F150-G153 PolarHBondContact O-N 3.17Å; S151-G153 VanDerWaalsContact C-N 3.32Å; G153-S160 PolarHBondContact O-N 3.45Å
154	K	86.3	Confident	85.8	Confident	121 Å²	121	62.8 Å²	62.8	53%	0.526	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	99.8	-179.9	-62.7	177.7	-178.4	177.9	0	109.6	A149 K152	A149-K154 HydrophobicContact CB-CB 4.36Å; A149-K154 WeakPolarHBondContact O-CB 3.25Å; A149-K154 PolarHBondContact O-N 2.88Å; K152-K154 HydrophobicContact CB-CD 4.43Å; K152-K154 HydrophobicContact CB-CG 4.38Å; K152-K154 PolarHBondContact O-N 2.59Å
155	L	82.9	Confident	86	Confident	29 Å²	29	59.9 Å²	59.9	15%	0.152	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	155	173.8	-64.1	177.6	0	0	0	110.5	L145 F150 G157 V158 L508 V509	L145-L155 HydrophobicContact CD1-CD2 3.69Å; L145-L155 HydrophobicContact CD2-CD2 4.19Å; F150-L155 HydrophobicContact CD2-CD2 3.73Å; F150-L155 HydrophobicContact CE2-CD2 3.92Å; F150-L155 HydrophobicContact CG-CD2 4.48Å; L155-G157 PolarHBondContact O-N 2.99Å; L155-V158 CarbonylContact C-O 3.56Å; L155-V158 PolarHBondContact N-O 3.46Å; L155-V158 VanDerWaalsContact N-O 3.08Å; L155-V158 PolarHBondContact O-N 2.86Å; L155-L508 HydrophobicContact CD1-CD1 4.1Å; L155-L508 HydrophobicContact CD1-CG 4.39Å; L155-L508 HydrophobicContact CD2-CD1 4.31Å; L155-V509 HydrophobicContact CD1-CG2 4Å
156	P	73.3	Confident	86.3	Confident	88 Å²	88	59.4 Å²	59.4	57%	0.571	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	116.4	173.9	-24.8	34.6	0	0	0	111.1	L145 V158	L145-P156 HydrophobicContact CD2-CG 4.16Å; P156-V158 VanDerWaalsContact C-N 3.28Å; P156-V158 PolarHBondContact O-N 3.44Å
157	G	71.9	Confident	86.6	Confident	80 Å²	80	58.4 Å²	58.4	83%	0.825	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-5.7	177.5	0	0	0	0	0	116.1	L155	L155-G157 PolarHBondContact O-N 2.99Å
158	V	76.9	Confident	86.9	Confident	27 Å²	27	61.3 Å²	61.3	16%	0.164	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.7	-178.3	-173.4	0	0	0	0	110.8	L155 P156 E463 V509	L155-V158 CarbonylContact C-O 3.56Å; L155-V158 PolarHBondContact N-O 3.46Å; L155-V158 VanDerWaalsContact N-O 3.08Å; L155-V158 PolarHBondContact O-N 2.86Å; P156-V158 VanDerWaalsContact C-N 3.28Å; P156-V158 PolarHBondContact O-N 3.44Å; V158-E463 HydrophobicContact CG2-CG 4.02Å; V158-E463 VanDerWaalsContact CG2-OE1 3.3Å; V158-E463 WeakPolarHBondContact CG2-OE1 3.29Å; V158-V509 HydrophobicContact CB-CG2 4.07Å; V158-V509 HydrophobicContact CG1-CG1 4.11Å; V158-V509 HydrophobicContact CG1-CG2 4.18Å; V158-V509 HydrophobicContact CG2-CB 4.26Å; V158-V509 HydrophobicContact CG2-CG1 4.27Å; V158-V509 HydrophobicContact CG2-CG2 3.87Å
159	H	73.5	Confident	87.2	Confident	153 Å²	153	58.6 Å²	58.6	71%	0.708	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.6	177.7	-63.1	-58.4	0	0	0	110.9
160	S	80.3	Confident	87.7	Confident	67 Å²	67	57.5 Å²	57.5	47%	0.469	34%	0.338	S	S	.	.			trans	-108	152.8	169	-175.6	0	0	0	0	110.3	G153 A162	G153-S160 PolarHBondContact O-N 3.45Å; S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact OG-N 2.85Å; S160-A162 VanDerWaalsContact OG-N 3.14Å
161	N	82	Confident	88	Confident	167 Å²	167	59.7 Å²	59.7	89%	0.893	35%	0.351	S	S	*	.	S	Bend	trans	-87.2	-7.2	170.3	-66.9	-24.9	0	0	0	112.4
162	A	85.9	Confident	88.1	Confident	65 Å²	65	60.2 Å²	60.2	54%	0.537	35%	0.353	S	S	.	.			trans	-72.8	140.3	176.3	0	0	0	0	0	110.3	S160	S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact OG-N 2.85Å; S160-A162 VanDerWaalsContact OG-N 3.14Å
163	V	92.2	Very high	88.4	Confident	85 Å²	85	56.7 Å²	56.7	52%	0.515	34%	0.338	S	S	.	.			trans	-130.1	137.7	179.2	-177.8	0	0	0	0	107.6	S151	S151-V163 CarbonylContact O-C 3.5Å; S151-V163 VanDerWaalsContact O-CA 3.3Å; S151-V163 WeakPolarHBondContact O-CA 3.29Å; S151-V163 WeakPolarHBondContact O-CG1 3.07Å
164	L	94.6	Very high	88.9	Confident	44 Å²	44	59 Å²	59	23%	0.23	34%	0.344	C	S	.	.			trans	-83.4	124.7	168.9	-58.9	179.6	0	0	0	108.3	S151 D168 M172 W188 Q195	S151-L164 PolarHBondContact O-N 2.89Å; L164-D168 HydrophobicContact CB-CB 3.96Å; L164-D168 HydrophobicContact CD2-CB 4.2Å; L164-M172 HydrophobicContact CD1-SD 3.79Å; L164-W188 HydrophobicContact CD1-CH2 3.95Å; L164-W188 HydrophobicContact CD1-CZ3 3.88Å; L164-Q195 PolarHBondContact O-OE1 3.22Å
165	T	96.4	Very high	89.3	Confident	53 Å²	53	54.5 Å²	54.5	33%	0.325	33%	0.327	S	S	.	.			trans	-71.7	174	178.1	63.2	0	0	0	0	112.1	D167 D168 C169 Q195 E200	T165-D167 VanDerWaalsContact C-N 3.26Å; T165-D167 PolarHBondContact O-N 2.87Å; T165-D167 PolarHBondContact OG1-N 3.17Å; T165-D168 WeakPolarHBondContact CB-OD2 3.2Å; T165-D168 PolarHBondContact N-OD2 3.14Å; T165-D168 PolarHBondContact O-N 3.16Å; T165-D168 PolarHBondContact OG1-N 3.15Å; T165-D168 VanDerWaalsContact OG1-N 3.16Å; T165-D168 PolarHBondContact OG1-OD2 3.11Å; T165-C169 PolarHBondContact O-N 2.92Å; T165-C169 PolarHBondContact O-SG 3.07Å; T165-Q195 VanDerWaalsContact C-OE1 3.26Å; T165-E200 VanDerWaalsContact CA-OE1 3.22Å; T165-E200 WeakPolarHBondContact CA-OE1 3.35Å; T165-E200 WeakPolarHBondContact CB-OE1 3.28Å
166	V	97.7	Very high	89.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-52.5	-46.7	168.6	178.8	0	0	0	0	111.2	C169 F170 A192 Q195 L196 E200 A202 V204 I209	V166-C169 PolarHBondContact O-N 2.83Å; V166-F170 WeakPolarHBondContact O-CB 3.4Å; V166-F170 PolarHBondContact O-N 3.17Å; V166-A192 HydrophobicContact CG1-CB 4.4Å; V166-Q195 HydrophobicContact CG2-CB 3.58Å; V166-L196 HydrophobicContact CG1-CB 4.13Å; V166-L196 HydrophobicContact CG2-CB 4.31Å; V166-E200 HydrophobicContact CG2-CB 3.76Å; V166-E200 HydrophobicContact CG2-CG 3.88Å; V166-E200 PolarHBondContact N-OE1 2.97Å; V166-E200 VanDerWaalsContact N-OE1 3.14Å; V166-A202 HydrophobicContact CB-CB 3.59Å; V166-A202 HydrophobicContact CG1-CB 3.54Å; V166-A202 HydrophobicContact CG2-CB 4.13Å; V166-V204 HydrophobicContact CG1-CG1 3.79Å; V166-I209 HydrophobicContact CG1-CD1 4.16Å
167	D	97.4	Very high	91	Very high	40 Å²	40	51.1 Å²	51.1	21%	0.214	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-42.3	-178	-68.8	-54.2	0	0	0	110.8	T165 C169 F170 D171 V203 V204	T165-D167 VanDerWaalsContact C-N 3.26Å; T165-D167 PolarHBondContact O-N 2.87Å; T165-D167 PolarHBondContact OG1-N 3.17Å; D167-C169 PolarHBondContact O-N 2.92Å; D167-F170 WeakPolarHBondContact O-CB 3.33Å; D167-F170 PolarHBondContact O-N 3.29Å; D167-D171 PolarHBondContact O-N 2.83Å; D167-V203 PolarHBondContact OD1-N 3.32Å; D167-V203 PolarHBondContact OD2-N 3.49Å; D167-V204 WeakPolarHBondContact OD1-CG1 2.96Å; D167-V204 PolarHBondContact OD1-N 2.9Å
168	D	96.4	Very high	92	Very high	69 Å²	69	52.8 Å²	52.8	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-60.5	-44.8	175.5	-62.2	-50.7	0	0	0	111.7	L164 T165 F170 D171 M172	L164-D168 HydrophobicContact CB-CB 3.96Å; L164-D168 HydrophobicContact CD2-CB 4.2Å; T165-D168 WeakPolarHBondContact CB-OD2 3.2Å; T165-D168 PolarHBondContact N-OD2 3.14Å; T165-D168 PolarHBondContact O-N 3.16Å; T165-D168 PolarHBondContact OG1-N 3.15Å; T165-D168 VanDerWaalsContact OG1-N 3.16Å; T165-D168 PolarHBondContact OG1-OD2 3.11Å; D168-F170 VanDerWaalsContact C-N 3.31Å; D168-F170 PolarHBondContact O-N 3.1Å; D168-D171 PolarHBondContact O-N 2.9Å; D168-M172 WeakPolarHBondContact O-CG 3.42Å; D168-M172 PolarHBondContact O-N 3.42Å
169	C	97	Very high	92.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-37.5	178.1	-66.6	0	0	0	0	111.5	T165 V166 D167 G173 W188 A192 Q195	T165-C169 PolarHBondContact O-N 2.92Å; T165-C169 PolarHBondContact O-SG 3.07Å; V166-C169 PolarHBondContact O-N 2.83Å; D167-C169 PolarHBondContact O-N 2.92Å; C169-G173 PolarHBondContact O-N 2.88Å; C169-W188 HydrophobicContact CB-CE3 4.16Å; C169-A192 HydrophobicContact CB-CB 3.78Å; C169-Q195 PolarHBondContact SG-NE2 3.22Å
170	F	97.7	Very high	93.5	Very high	11 Å²	11	51.5 Å²	51.5	5%	0.048	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-42.4	175.5	-180	-109.4	0	0	0	112	V166 D167 D168 G173 K174 F189 A192 V204 E208 I209 Y212	V166-F170 WeakPolarHBondContact O-CB 3.4Å; V166-F170 PolarHBondContact O-N 3.17Å; D167-F170 WeakPolarHBondContact O-CB 3.33Å; D167-F170 PolarHBondContact O-N 3.29Å; D168-F170 VanDerWaalsContact C-N 3.31Å; D168-F170 PolarHBondContact O-N 3.1Å; F170-G173 PolarHBondContact O-N 3.03Å; F170-K174 HydrophobicContact CD1-CD 3.77Å; F170-K174 HydrophobicContact CE1-CD 3.25Å; F170-K174 HydrophobicContact CE1-CG 4.19Å; F170-K174 HydrophobicContact CE2-CD 4.35Å; F170-K174 HydrophobicContact CZ-CD 3.58Å; F170-K174 HydrophobicContact CZ-CG 4.16Å; F170-K174 PolarHBondContact O-N 3.01Å; F170-F189 AromaticContact CD2-CD1 3.64Å; F170-F189 HydrophobicContact CD2-CD1 3.64Å; F170-F189 AromaticContact CD2-CE1 3.48Å; F170-F189 HydrophobicContact CD2-CE1 3.48Å; F170-F189 VanDerWaalsContact CD2-CE1 3.48Å; F170-F189 HydrophobicContact CE2-CD1 4.04Å; F170-F189 AromaticContact CE2-CE1 3.62Å; F170-F189 HydrophobicContact CE2-CE1 3.62Å; F170-F189 HydrophobicContact CG-CE1 4.33Å; F170-F189 WeakPolarHBondContact O-CE1 3.11Å; F170-A192 HydrophobicContact CB-CB 4.27Å; F170-V204 HydrophobicContact CB-CG1 4.18Å; F170-V204 HydrophobicContact CD1-CB 4.01Å; F170-V204 HydrophobicContact CD1-CG1 4.41Å; F170-V204 HydrophobicContact CD1-CG2 3.62Å; F170-V204 HydrophobicContact CD2-CG2 3.93Å; F170-V204 HydrophobicContact CE1-CB 4.27Å; F170-V204 HydrophobicContact CE1-CG2 3.5Å; F170-V204 HydrophobicContact CE2-CG2 3.87Å; F170-V204 HydrophobicContact CG-CB 4.27Å; F170-V204 HydrophobicContact CG-CG1 4.23Å; F170-V204 HydrophobicContact CG-CG2 3.81Å; F170-V204 HydrophobicContact CZ-CG2 3.64Å; F170-E208 HydrophobicContact CZ-CB 4.22Å; F170-I209 HydrophobicContact CD2-CG1 3.78Å; F170-I209 HydrophobicContact CE2-CG1 4.12Å; F170-Y212 AromaticContact CE2-CD2 3.83Å; F170-Y212 HydrophobicContact CE2-CD2 3.83Å; F170-Y212 HydrophobicContact CE2-CE2 4.38Å; F170-Y212 AromaticContact CZ-CD2 3.82Å; F170-Y212 HydrophobicContact CZ-CD2 3.82Å; F170-Y212 AromaticContact CZ-CE2 3.9Å; F170-Y212 HydrophobicContact CZ-CE2 3.9Å
171	D	96.1	Very high	94.2	Very high	66 Å²	66	50.8 Å²	50.8	35%	0.353	29%	0.288	S	S	.	.	H	α-helix	trans	-69.4	-34.1	178.1	-77.7	-27.4	0	0	0	112.8	D167 D168 K174 T175	D167-D171 PolarHBondContact O-N 2.83Å; D168-D171 PolarHBondContact O-N 2.9Å; D171-K174 PolarHBondContact O-N 2.8Å; D171-K174 IonicContact OD1-NZ 2.61Å; D171-T175 WeakPolarHBondContact O-CB 3.24Å; D171-T175 PolarHBondContact O-N 2.75Å; D171-T175 PolarHBondContact O-OG1 2.94Å
172	M	95.2	Very high	94.8	Very high	12 Å²	12	45 Å²	45	6%	0.059	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-47.9	166.6	-73.3	-168.7	72.7	0	0	111.3	L136 M137 L164 D168 K174 T175 A176 W188	L136-M172 HydrophobicContact CB-CE 3.71Å; L136-M172 HydrophobicContact CD1-CE 3.93Å; L136-M172 HydrophobicContact CD1-SD 4.12Å; L136-M172 HydrophobicContact CG-CE 4.48Å; M137-M172 HydrophobicContact CE-CB 4.19Å; M137-M172 HydrophobicContact CE-CE 4.3Å; M137-M172 WeakPolarHBondContact CE-O 3.35Å; M137-M172 HydrophobicContact CG-CE 4.31Å; L164-M172 HydrophobicContact CD1-SD 3.79Å; D168-M172 WeakPolarHBondContact O-CG 3.42Å; D168-M172 PolarHBondContact O-N 3.42Å; M172-K174 VanDerWaalsContact C-N 3.32Å; M172-K174 PolarHBondContact O-N 3.35Å; M172-T175 WeakPolarHBondContact O-CB 3.32Å; M172-T175 PolarHBondContact O-N 3.01Å; M172-A176 PolarHBondContact O-N 3.07Å; M172-W188 HydrophobicContact CB-CB 4.27Å; M172-W188 HydrophobicContact CB-CD2 3.93Å; M172-W188 HydrophobicContact CB-CE3 4.23Å; M172-W188 HydrophobicContact CB-CG 3.93Å; M172-W188 HydrophobicContact CE-CD2 3.96Å; M172-W188 HydrophobicContact CE-CE3 4.41Å; M172-W188 HydrophobicContact CE-CH2 3.81Å; M172-W188 HydrophobicContact CE-CZ2 3.3Å; M172-W188 HydrophobicContact CE-CZ3 4.34Å; M172-W188 HydrophobicContact SD-CD2 3.97Å; M172-W188 HydrophobicContact SD-CE3 3.86Å; M172-W188 HydrophobicContact SD-CH2 3.66Å; M172-W188 HydrophobicContact SD-CZ2 3.79Å; M172-W188 HydrophobicContact SD-CZ3 3.7Å
173	G	96.8	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-41.5	176.2	0	0	0	0	0	112.8	C169 F170 A176 Y177 F189	C169-G173 PolarHBondContact O-N 2.88Å; F170-G173 PolarHBondContact O-N 3.03Å; G173-A176 PolarHBondContact O-N 3Å; G173-Y177 VanDerWaalsContact O-CB 3.32Å; G173-Y177 WeakPolarHBondContact O-CB 3.49Å; G173-Y177 PolarHBondContact O-N 2.74Å; G173-F189 WeakPolarHBondContact O-CZ 3.32Å
174	K	96.5	Very high	95.4	Very high	62 Å²	62	38.8 Å²	38.8	27%	0.27	21%	0.208	S	C	.	.	H	α-helix	trans	-66.3	-40.1	176	-82.7	173.9	59	-162.7	0	112.8	F170 D171 M172 A176 Y177 N178 F189	F170-K174 HydrophobicContact CD1-CD 3.77Å; F170-K174 HydrophobicContact CE1-CD 3.25Å; F170-K174 HydrophobicContact CE1-CG 4.19Å; F170-K174 HydrophobicContact CE2-CD 4.35Å; F170-K174 HydrophobicContact CZ-CD 3.58Å; F170-K174 HydrophobicContact CZ-CG 4.16Å; F170-K174 PolarHBondContact O-N 3.01Å; D171-K174 PolarHBondContact O-N 2.8Å; D171-K174 IonicContact OD1-NZ 2.61Å; M172-K174 VanDerWaalsContact C-N 3.32Å; M172-K174 PolarHBondContact O-N 3.35Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 3.25Å; K174-Y177 PolarHBondContact O-N 3.48Å; K174-N178 WeakPolarHBondContact O-CB 3.47Å; K174-N178 PolarHBondContact O-N 3.03Å; K174-N178 PolarHBondContact O-ND2 2.98Å; K174-F189 HydrophobicContact CG-CE1 4.05Å; K174-F189 HydrophobicContact CG-CZ 3.97Å
175	T	94.8	Very high	95.5	Very high	26 Å²	26	36.7 Å²	36.7	16%	0.16	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-48.5	174.3	-63.1	0	0	0	0	110.7	T130 A133 D171 M172 N178 D179	T130-T175 HydrophobicContact CG2-CG2 4Å; A133-T175 HydrophobicContact CB-CG2 4.06Å; D171-T175 WeakPolarHBondContact O-CB 3.24Å; D171-T175 PolarHBondContact O-N 2.75Å; D171-T175 PolarHBondContact O-OG1 2.94Å; M172-T175 WeakPolarHBondContact O-CB 3.32Å; M172-T175 PolarHBondContact O-N 3.01Å; T175-N178 PolarHBondContact O-N 3.02Å; T175-D179 PolarHBondContact O-N 3.3Å
176	A	94.8	Very high	95.5	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-44.6	176.2	0	0	0	0	0	112.4	M137 M172 G173 K174 N178 D179 A180 D181 H184 A185	M137-A176 HydrophobicContact CE-CB 3.77Å; M137-A176 HydrophobicContact SD-CB 3.98Å; M172-A176 PolarHBondContact O-N 3.07Å; G173-A176 PolarHBondContact O-N 3Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 3.25Å; A176-N178 PolarHBondContact O-N 3.47Å; A176-D179 CarbonylContact O-C 3.51Å; A176-D179 PolarHBondContact O-N 2.92Å; A176-A180 PolarHBondContact O-N 3.29Å; A176-D181 HydrophobicContact CB-CB 4.25Å; A176-D181 WeakPolarHBondContact O-CA 3.12Å; A176-D181 WeakPolarHBondContact O-CB 3.11Å; A176-D181 PolarHBondContact O-N 2.87Å; A176-H184 HydrophobicContact CB-CB 3.78Å; A176-A185 HydrophobicContact CB-CB 4Å
177	Y	96.3	Very high	95.5	Very high	45 Å²	45	34.6 Å²	34.6	18%	0.176	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-45.3	178.7	-180	-84	0	0	0	112.7	G173 K174 D179 A180 Y182 F189 Y212 Y215 S216	G173-Y177 VanDerWaalsContact O-CB 3.32Å; G173-Y177 WeakPolarHBondContact O-CB 3.49Å; G173-Y177 PolarHBondContact O-N 2.74Å; K174-Y177 PolarHBondContact O-N 3.48Å; Y177-D179 PolarHBondContact O-N 3.49Å; Y177-A180 PolarHBondContact O-N 3.37Å; Y177-Y182 HydrophobicContact CD2-CD1 4.17Å; Y177-Y182 AromaticContact CD2-CE1 3.9Å; Y177-Y182 HydrophobicContact CD2-CE1 3.9Å; Y177-Y182 HydrophobicContact CE2-CD1 4.46Å; Y177-Y182 AromaticContact CE2-CE1 3.9Å; Y177-Y182 HydrophobicContact CE2-CE1 3.9Å; Y177-F189 HydrophobicContact CD2-CE2 4.34Å; Y177-Y212 HydrophobicContact CD1-CD1 4.11Å; Y177-Y212 AromaticContact CD1-CE1 3.99Å; Y177-Y212 HydrophobicContact CD1-CE1 3.99Å; Y177-Y212 AromaticContact CD2-CD1 3.89Å; Y177-Y212 HydrophobicContact CD2-CD1 3.89Å; Y177-Y212 HydrophobicContact CE1-CD1 4.17Å; Y177-Y212 AromaticContact CE1-CE1 3.97Å; Y177-Y212 HydrophobicContact CE1-CE1 3.97Å; Y177-Y212 AromaticContact CE2-CD1 3.89Å; Y177-Y212 HydrophobicContact CE2-CD1 3.89Å; Y177-Y212 HydrophobicContact CE2-CE1 4.5Å; Y177-Y212 AromaticContact CG-CD1 4Å; Y177-Y212 HydrophobicContact CG-CD1 4Å; Y177-Y212 HydrophobicContact CG-CE1 4.32Å; Y177-Y215 AromaticContact CE2-CD1 3.56Å; Y177-Y215 HydrophobicContact CE2-CD1 3.56Å; Y177-Y215 HydrophobicContact CE2-CE1 4.06Å; Y177-Y215 HydrophobicContact CE2-CG 4.47Å; Y177-Y215 AromaticContact CZ-CD1 3.92Å; Y177-Y215 WeakPolarHBondContact OH-CD1 3.34Å; Y177-Y215 WeakPolarHBondContact OH-CE1 2.98Å; Y177-S216 WeakPolarHBondContact CD2-OG 3.32Å
178	N	93.8	Very high	95.5	Very high	115 Å²	115	32.7 Å²	32.7	62%	0.615	17%	0.173	S	C	*	.	H	α-helix	trans	-65.3	-27.3	-179	-70.5	-24.9	0	0	0	112.4	K174 T175 A176 A180	K174-N178 WeakPolarHBondContact O-CB 3.47Å; K174-N178 PolarHBondContact O-N 3.03Å; K174-N178 PolarHBondContact O-ND2 2.98Å; T175-N178 PolarHBondContact O-N 3.02Å; A176-N178 PolarHBondContact O-N 3.47Å; N178-A180 VanDerWaalsContact C-N 3.28Å
179	D	89	Confident	95.6	Very high	92 Å²	92	29.4 Å²	29.4	49%	0.492	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3.6	174.3	-86.8	21	0	0	0	113.4	K134 T175 A176 Y177 D181	K134-D179 WeakPolarHBondContact CE-OD2 3.29Å; K134-D179 IonicContact NZ-OD1 3.29Å; K134-D179 IonicContact NZ-OD2 3.71Å; K134-D179 PolarHBondContact NZ-OD2 3.46Å; T175-D179 PolarHBondContact O-N 3.3Å; A176-D179 CarbonylContact O-C 3.51Å; A176-D179 PolarHBondContact O-N 2.92Å; Y177-D179 PolarHBondContact O-N 3.49Å; D179-D181 PolarHBondContact O-N 3.21Å
180	A	93.3	Very high	95.5	Very high	61 Å²	61	31 Å²	31	50%	0.504	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	22.2	-171.5	0	0	0	0	0	114	A176 Y177 N178 Y182	A176-A180 PolarHBondContact O-N 3.29Å; Y177-A180 PolarHBondContact O-N 3.37Å; N178-A180 VanDerWaalsContact C-N 3.28Å; A180-Y182 VanDerWaalsContact C-N 3.26Å; A180-Y182 HydrophobicContact CB-CE2 3.98Å; A180-Y182 WeakPolarHBondContact O-CD2 3.23Å; A180-Y182 PolarHBondContact O-N 2.72Å; A180-Y182 VanDerWaalsContact O-N 3.1Å
181	D	93.6	Very high	95.5	Very high	51 Å²	51	31 Å²	31	27%	0.273	16%	0.163	S	C	.	.			trans	-84.4	72.4	169.6	-169.3	-17.9	0	0	0	109.7	A176 D179 Y183 H184 A185	A176-D181 HydrophobicContact CB-CB 4.25Å; A176-D181 WeakPolarHBondContact O-CA 3.12Å; A176-D181 WeakPolarHBondContact O-CB 3.11Å; A176-D181 PolarHBondContact O-N 2.87Å; D179-D181 PolarHBondContact O-N 3.21Å; D181-Y183 PolarHBondContact O-N 2.9Å; D181-Y183 PolarHBondContact OD1-N 2.99Å; D181-H184 PolarHBondContact O-N 3.44Å; D181-H184 IonicContact OD1-CG 2.6Å; D181-H184 PolarHBondContact OD1-N 3.28Å; D181-H184 VanDerWaalsContact OD1-N 3.11Å; D181-H184 IonicContact OD1-ND1 3.89Å; D181-H184 PolarHBondContact OD1-ND1 3.28Å; D181-H184 VanDerWaalsContact OD1-ND1 3.17Å; D181-H184 IonicContact OD2-CE1 3.83Å; D181-H184 IonicContact OD2-CG 3.82Å; D181-H184 IonicContact OD2-ND1 3.35Å; D181-H184 PolarHBondContact OD2-ND1 2.6Å; D181-A185 WeakPolarHBondContact O-CB 3.36Å; D181-A185 PolarHBondContact O-N 2.9Å
182	Y	95.9	Very high	95.6	Very high	46 Å²	46	27.9 Å²	27.9	18%	0.18	15%	0.147	C	C	.	.	H	α-helix	trans	-66.5	-20.1	-179.3	-57.8	-66.6	0	0	0	112.7	Y177 A180 V186 Y215 Q219	Y177-Y182 HydrophobicContact CD2-CD1 4.17Å; Y177-Y182 AromaticContact CD2-CE1 3.9Å; Y177-Y182 HydrophobicContact CD2-CE1 3.9Å; Y177-Y182 HydrophobicContact CE2-CD1 4.46Å; Y177-Y182 AromaticContact CE2-CE1 3.9Å; Y177-Y182 HydrophobicContact CE2-CE1 3.9Å; A180-Y182 VanDerWaalsContact C-N 3.26Å; A180-Y182 HydrophobicContact CB-CE2 3.98Å; A180-Y182 WeakPolarHBondContact O-CD2 3.23Å; A180-Y182 PolarHBondContact O-N 2.72Å; A180-Y182 VanDerWaalsContact O-N 3.1Å; Y182-V186 VanDerWaalsContact O-CG2 3.24Å; Y182-V186 WeakPolarHBondContact O-CG2 3.35Å; Y182-V186 PolarHBondContact O-N 3.1Å; Y182-V186 VanDerWaalsContact O-N 3.09Å; Y182-Y215 HydrophobicContact CE1-CD1 4.2Å; Y182-Y215 AromaticContact CE1-CE1 3.94Å; Y182-Y215 HydrophobicContact CE1-CE1 3.94Å; Y182-Q219 HydrophobicContact CD1-CB 4Å; Y182-Q219 HydrophobicContact CD1-CG 4.02Å; Y182-Q219 HydrophobicContact CD2-CB 3.47Å; Y182-Q219 VanDerWaalsContact CD2-CB 3.47Å; Y182-Q219 HydrophobicContact CD2-CG 3.89Å; Y182-Q219 HydrophobicContact CE1-CB 4.34Å; Y182-Q219 HydrophobicContact CE1-CG 3.88Å; Y182-Q219 HydrophobicContact CE2-CB 3.85Å; Y182-Q219 HydrophobicContact CE2-CG 3.73Å; Y182-Q219 HydrophobicContact CG-CB 3.54Å; Y182-Q219 HydrophobicContact CG-CG 4.02Å
183	Y	95	Very high	95.6	Very high	17 Å²	17	27.3 Å²	27.3	7%	0.067	14%	0.144	C	C	.	.	H	α-helix	trans	-63.8	-54.3	175.9	172	-99.7	0	0	0	110.5	D181 L187 M220 L275 Y278 R280	D181-Y183 PolarHBondContact O-N 2.9Å; D181-Y183 PolarHBondContact OD1-N 2.99Å; Y183-L187 HydrophobicContact CE1-CD1 4.07Å; Y183-M220 HydrophobicContact CD2-CE 4.26Å; Y183-L275 VanDerWaalsContact OH-CD1 3.26Å; Y183-L275 WeakPolarHBondContact OH-CD1 3.26Å; Y183-Y278 WeakPolarHBondContact CE2-O 3.26Å; Y183-R280 HydrophobicContact CD1-CG 4.32Å; Y183-R280 HydrophobicContact CD2-CB 4.46Å; Y183-R280 HydrophobicContact CE1-CG 4.44Å; Y183-R280 HydrophobicContact CE2-CB 4.35Å
184	H	95.4	Very high	95.6	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-70.5	-36.8	175.7	-70.8	104.2	0	0	0	112.6	M137 Q140 D141 A176 D181 V186 L187 W188	M137-H184 HydrophobicContact CG-CB 4.31Å; M137-H184 HydrophobicContact SD-CB 4.08Å; Q140-H184 PolarHBondContact OE1-CD2 3.36Å; D141-H184 VanDerWaalsContact CG-CE1 3.5Å; D141-H184 IonicContact OD1-CE1 2.72Å; D141-H184 PolarHBondContact OD1-CE1 3.12Å; D141-H184 IonicContact OD1-NE2 2.6Å; D141-H184 PolarHBondContact OD1-NE2 3.32Å; D141-H184 VanDerWaalsContact OD1-NE2 3.1Å; D141-H184 IonicContact OD2-CE1 3.44Å; D141-H184 PolarHBondContact OD2-CE1 2.87Å; D141-H184 IonicContact OD2-NE2 3.66Å; D141-H184 PolarHBondContact OD2-NE2 3.44Å; A176-H184 HydrophobicContact CB-CB 3.78Å; D181-H184 PolarHBondContact O-N 3.44Å; D181-H184 IonicContact OD1-CG 2.6Å; D181-H184 PolarHBondContact OD1-N 3.28Å; D181-H184 VanDerWaalsContact OD1-N 3.11Å; D181-H184 IonicContact OD1-ND1 3.89Å; D181-H184 PolarHBondContact OD1-ND1 3.28Å; D181-H184 VanDerWaalsContact OD1-ND1 3.17Å; D181-H184 IonicContact OD2-CE1 3.83Å; D181-H184 IonicContact OD2-CG 3.82Å; D181-H184 IonicContact OD2-ND1 3.35Å; D181-H184 PolarHBondContact OD2-ND1 2.6Å; H184-V186 VanDerWaalsContact C-N 3.27Å; H184-V186 PolarHBondContact O-N 3.44Å; H184-L187 PolarHBondContact O-N 3.29Å; H184-L187 VanDerWaalsContact O-N 3.14Å; H184-W188 VanDerWaalsContact O-CD1 3.29Å; H184-W188 PolarHBondContact O-N 2.74Å
185	A	96.9	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.6	-45.4	179.6	0	0	0	0	0	111.1	A176 D181 L187 W188 F189	A176-A185 HydrophobicContact CB-CB 4Å; D181-A185 WeakPolarHBondContact O-CB 3.36Å; D181-A185 PolarHBondContact O-N 2.9Å; A185-L187 PolarHBondContact O-N 3.19Å; A185-W188 PolarHBondContact O-N 3.23Å; A185-F189 HydrophobicContact CB-CD2 4.14Å; A185-F189 HydrophobicContact CB-CE2 3.91Å; A185-F189 WeakPolarHBondContact O-CB 3.23Å; A185-F189 WeakPolarHBondContact O-CD2 3.08Å; A185-F189 VanDerWaalsContact O-CG 3.29Å; A185-F189 WeakPolarHBondContact O-CG 3.43Å; A185-F189 PolarHBondContact O-N 3.03Å
186	V	96.9	Very high	95.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-44.8	178.2	173.3	0	0	0	0	112.1	Y182 H184 W188 Q190 L213 S216 V217 M220 I273 Y278	Y182-V186 VanDerWaalsContact O-CG2 3.24Å; Y182-V186 WeakPolarHBondContact O-CG2 3.35Å; Y182-V186 PolarHBondContact O-N 3.1Å; Y182-V186 VanDerWaalsContact O-N 3.09Å; H184-V186 VanDerWaalsContact C-N 3.27Å; H184-V186 PolarHBondContact O-N 3.44Å; V186-W188 PolarHBondContact O-N 2.7Å; V186-Q190 WeakPolarHBondContact O-CB 3.31Å; V186-Q190 PolarHBondContact O-N 3.3Å; V186-L213 HydrophobicContact CB-CD1 4.35Å; V186-L213 HydrophobicContact CG1-CD1 3.85Å; V186-L213 HydrophobicContact CG2-CD1 4.48Å; V186-S216 VanDerWaalsContact CG2-CB 3.43Å; V186-V217 HydrophobicContact CG1-CG2 3.86Å; V186-V217 HydrophobicContact CG2-CG2 3.8Å; V186-M220 HydrophobicContact CG2-CG 4.24Å; V186-I273 HydrophobicContact CG1-CB 4.3Å; V186-I273 HydrophobicContact CG1-CD1 3.5Å; V186-I273 HydrophobicContact CG1-CG1 4.44Å; V186-I273 HydrophobicContact CG1-CG2 3.62Å; V186-Y278 HydrophobicContact CG1-CD2 4.5Å; V186-Y278 HydrophobicContact CG1-CE2 3.9Å
187	L	96.6	Very high	95.7	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-46.1	-179.3	-64.4	174	0	0	0	111.5	Y183 H184 A185 Q191 I273 L275	Y183-L187 HydrophobicContact CE1-CD1 4.07Å; H184-L187 PolarHBondContact O-N 3.29Å; H184-L187 VanDerWaalsContact O-N 3.14Å; A185-L187 PolarHBondContact O-N 3.19Å; L187-Q191 WeakPolarHBondContact O-CB 3.43Å; L187-Q191 PolarHBondContact O-N 3.49Å; L187-I273 HydrophobicContact CD2-CG2 4.38Å; L187-L275 HydrophobicContact CD1-CD1 3.96Å
188	W	97.4	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-74.8	-39	-177.7	-74.5	106.5	0	0	0	113.3	F150 L164 C169 M172 H184 A185 V186 Q191 A192	F150-W188 HydrophobicContact CD1-CH2 4.14Å; F150-W188 HydrophobicContact CD1-CZ2 4.06Å; F150-W188 HydrophobicContact CE1-CZ2 4.47Å; L164-W188 HydrophobicContact CD1-CH2 3.95Å; L164-W188 HydrophobicContact CD1-CZ3 3.88Å; C169-W188 HydrophobicContact CB-CE3 4.16Å; M172-W188 HydrophobicContact CB-CB 4.27Å; M172-W188 HydrophobicContact CB-CD2 3.93Å; M172-W188 HydrophobicContact CB-CE3 4.23Å; M172-W188 HydrophobicContact CB-CG 3.93Å; M172-W188 HydrophobicContact CE-CD2 3.96Å; M172-W188 HydrophobicContact CE-CE3 4.41Å; M172-W188 HydrophobicContact CE-CH2 3.81Å; M172-W188 HydrophobicContact CE-CZ2 3.3Å; M172-W188 HydrophobicContact CE-CZ3 4.34Å; M172-W188 HydrophobicContact SD-CD2 3.97Å; M172-W188 HydrophobicContact SD-CE3 3.86Å; M172-W188 HydrophobicContact SD-CH2 3.66Å; M172-W188 HydrophobicContact SD-CZ2 3.79Å; M172-W188 HydrophobicContact SD-CZ3 3.7Å; H184-W188 VanDerWaalsContact O-CD1 3.29Å; H184-W188 PolarHBondContact O-N 2.74Å; A185-W188 PolarHBondContact O-N 3.23Å; V186-W188 PolarHBondContact O-N 2.7Å; W188-Q191 PolarHBondContact O-N 3.27Å; W188-A192 PolarHBondContact O-N 2.94Å
189	F	97.8	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-36.7	172.7	-68.9	-45.5	0	0	0	112.5	F170 G173 K174 Y177 A185 Q191 A192 L193 I209 Y212 L213	F170-F189 AromaticContact CD2-CD1 3.64Å; F170-F189 HydrophobicContact CD2-CD1 3.64Å; F170-F189 AromaticContact CD2-CE1 3.48Å; F170-F189 HydrophobicContact CD2-CE1 3.48Å; F170-F189 VanDerWaalsContact CD2-CE1 3.48Å; F170-F189 HydrophobicContact CE2-CD1 4.04Å; F170-F189 AromaticContact CE2-CE1 3.62Å; F170-F189 HydrophobicContact CE2-CE1 3.62Å; F170-F189 HydrophobicContact CG-CE1 4.33Å; F170-F189 WeakPolarHBondContact O-CE1 3.11Å; G173-F189 WeakPolarHBondContact O-CZ 3.32Å; K174-F189 HydrophobicContact CG-CE1 4.05Å; K174-F189 HydrophobicContact CG-CZ 3.97Å; Y177-F189 HydrophobicContact CD2-CE2 4.34Å; A185-F189 HydrophobicContact CB-CD2 4.14Å; A185-F189 HydrophobicContact CB-CE2 3.91Å; A185-F189 WeakPolarHBondContact O-CB 3.23Å; A185-F189 WeakPolarHBondContact O-CD2 3.08Å; A185-F189 VanDerWaalsContact O-CG 3.29Å; A185-F189 WeakPolarHBondContact O-CG 3.43Å; A185-F189 PolarHBondContact O-N 3.03Å; F189-Q191 VanDerWaalsContact C-N 3.31Å; F189-A192 PolarHBondContact O-N 3.33Å; F189-L193 WeakPolarHBondContact O-CB 3.4Å; F189-L193 PolarHBondContact O-N 3.11Å; F189-I209 HydrophobicContact CB-CG2 4.35Å; F189-I209 WeakPolarHBondContact O-CG2 3.44Å; F189-Y212 HydrophobicContact CE1-CG 4.34Å; F189-Y212 HydrophobicContact CE2-CD1 4.36Å; F189-Y212 HydrophobicContact CE2-CG 4.22Å; F189-Y212 VanDerWaalsContact CZ-CB 3.5Å; F189-Y212 HydrophobicContact CZ-CD1 4.03Å; F189-Y212 AromaticContact CZ-CG 3.82Å; F189-Y212 HydrophobicContact CZ-CG 3.82Å; F189-L213 HydrophobicContact CB-CB 3.94Å; F189-L213 HydrophobicContact CB-CD1 3.88Å; F189-L213 HydrophobicContact CB-CG 4.35Å
190	Q	96.6	Very high	96.1	Very high	34 Å²	34	32 Å²	32	16%	0.159	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-40.8	173	178.8	62.6	41.9	0	0	111	V186 L193 K194 L213 I273	V186-Q190 WeakPolarHBondContact O-CB 3.31Å; V186-Q190 PolarHBondContact O-N 3.3Å; Q190-L193 PolarHBondContact O-N 3.21Å; Q190-K194 WeakPolarHBondContact O-CB 3.39Å; Q190-K194 PolarHBondContact O-N 3.39Å; Q190-L213 HydrophobicContact CB-CD1 4.47Å; Q190-I273 HydrophobicContact CB-CB 4.43Å; Q190-I273 HydrophobicContact CG-CB 4.07Å
191	Q	96.8	Very high	96.1	Very high	11 Å²	11	38 Å²	38	5%	0.051	20%	0.2	C	C	.	.	H	α-helix	trans	-67.7	-39.8	177.6	-178.3	54.9	19.9	0	0	112.3	S151 L187 W188 F189 K194 Q195	S151-Q191 PolarHBondContact OG-NE2 2.9Å; L187-Q191 WeakPolarHBondContact O-CB 3.43Å; L187-Q191 PolarHBondContact O-N 3.49Å; W188-Q191 PolarHBondContact O-N 3.27Å; F189-Q191 VanDerWaalsContact C-N 3.31Å; Q191-K194 PolarHBondContact O-N 2.83Å; Q191-Q195 WeakPolarHBondContact O-CG 3.2Å; Q191-Q195 PolarHBondContact O-N 2.85Å; Q191-Q195 VanDerWaalsContact O-N 3.08Å
192	A	97.6	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-46.6	173.1	0	0	0	0	0	111.5	V166 C169 F170 W188 F189 K194 Q195 L196 I209	V166-A192 HydrophobicContact CG1-CB 4.4Å; C169-A192 HydrophobicContact CB-CB 3.78Å; F170-A192 HydrophobicContact CB-CB 4.27Å; W188-A192 PolarHBondContact O-N 2.94Å; F189-A192 PolarHBondContact O-N 3.33Å; A192-K194 VanDerWaalsContact C-N 3.29Å; A192-K194 PolarHBondContact O-N 2.94Å; A192-Q195 PolarHBondContact O-N 2.8Å; A192-L196 WeakPolarHBondContact O-CB 3.19Å; A192-L196 PolarHBondContact O-N 2.89Å; A192-I209 HydrophobicContact CB-CD1 4.1Å
193	L	96.9	Very high	96.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-41.2	177.4	-176.7	60.1	0	0	0	111.7	F189 Q190 L196 D197 K206 I209 L210 L213	F189-L193 WeakPolarHBondContact O-CB 3.4Å; F189-L193 PolarHBondContact O-N 3.11Å; Q190-L193 PolarHBondContact O-N 3.21Å; L193-L196 PolarHBondContact O-N 2.85Å; L193-D197 WeakPolarHBondContact O-CB 3.46Å; L193-D197 VanDerWaalsContact O-CG 3.31Å; L193-D197 PolarHBondContact O-N 2.81Å; L193-K206 HydrophobicContact CD1-CD 4.43Å; L193-K206 HydrophobicContact CD1-CG 3.94Å; L193-I209 HydrophobicContact CB-CG2 3.84Å; L193-I209 HydrophobicContact CD1-CG2 4.48Å; L193-L210 HydrophobicContact CD1-CD2 4.34Å; L193-L210 HydrophobicContact CD1-CG 4.38Å; L193-L210 HydrophobicContact CD2-CD2 3.74Å; L193-L213 HydrophobicContact CD2-CD2 3.86Å
194	K	95.7	Very high	96.4	Very high	68 Å²	68	41.1 Å²	41.1	30%	0.296	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-49.5	177.9	-179.1	177.5	177.3	173.6	0	111.7	E148 Q190 Q191 A192 L196 D197 D198	E148-K194 VanDerWaalsContact CD-NZ 3.26Å; E148-K194 IonicContact OE1-NZ 3.67Å; E148-K194 IonicContact OE2-NZ 3.31Å; E148-K194 PolarHBondContact OE2-NZ 3.07Å; Q190-K194 WeakPolarHBondContact O-CB 3.39Å; Q190-K194 PolarHBondContact O-N 3.39Å; Q191-K194 PolarHBondContact O-N 2.83Å; A192-K194 VanDerWaalsContact C-N 3.29Å; A192-K194 PolarHBondContact O-N 2.94Å; K194-L196 VanDerWaalsContact C-N 3.3Å; K194-L196 PolarHBondContact O-N 3.07Å; K194-D197 PolarHBondContact O-N 3.2Å; K194-D198 PolarHBondContact O-N 3.43Å
195	Q	96.4	Very high	96.5	Very high	9 Å²	9	44.2 Å²	44.2	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-61.3	-39.8	178.5	-72.3	176.1	44.3	0	0	112.1	S151 L164 T165 V166 C169 Q191 A192 D198 G199 E200	S151-Q195 PolarHBondContact OG-NE2 3.29Å; L164-Q195 PolarHBondContact O-OE1 3.22Å; T165-Q195 VanDerWaalsContact C-OE1 3.26Å; V166-Q195 HydrophobicContact CG2-CB 3.58Å; C169-Q195 PolarHBondContact SG-NE2 3.22Å; Q191-Q195 WeakPolarHBondContact O-CG 3.2Å; Q191-Q195 PolarHBondContact O-N 2.85Å; Q191-Q195 VanDerWaalsContact O-N 3.08Å; A192-Q195 PolarHBondContact O-N 2.8Å; Q195-D198 PolarHBondContact O-N 2.9Å; Q195-G199 PolarHBondContact O-N 2.87Å; Q195-E200 WeakPolarHBondContact O-CB 3.46Å; Q195-E200 PolarHBondContact O-N 3.05Å; Q195-E200 PolarHBondContact OE1-OE2 3.41Å
196	L	96.7	Very high	96.5	Very high	37 Å²	37	47.4 Å²	47.4	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-40.6	175.7	-171.9	64.1	0	0	0	112.1	V166 A192 L193 K194 D198 G199 A202 K206 I209	V166-L196 HydrophobicContact CG1-CB 4.13Å; V166-L196 HydrophobicContact CG2-CB 4.31Å; A192-L196 WeakPolarHBondContact O-CB 3.19Å; A192-L196 PolarHBondContact O-N 2.89Å; L193-L196 PolarHBondContact O-N 2.85Å; K194-L196 VanDerWaalsContact C-N 3.3Å; K194-L196 PolarHBondContact O-N 3.07Å; L196-D198 VanDerWaalsContact C-N 3.27Å; L196-D198 PolarHBondContact O-N 2.83Å; L196-G199 PolarHBondContact O-N 3.26Å; L196-G199 VanDerWaalsContact O-N 3.12Å; L196-A202 HydrophobicContact CD1-CB 4.04Å; L196-K206 HydrophobicContact CD2-CB 3.74Å; L196-K206 HydrophobicContact CD2-CG 4.37Å; L196-I209 HydrophobicContact CD2-CD1 3.81Å
197	D	95	Very high	96.5	Very high	77 Å²	77	47.9 Å²	47.9	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-28.2	175.7	-77.7	-15.4	0	0	0	112.1	L193 K194 G199 K206 R232	L193-D197 WeakPolarHBondContact O-CB 3.46Å; L193-D197 VanDerWaalsContact O-CG 3.31Å; L193-D197 PolarHBondContact O-N 2.81Å; K194-D197 PolarHBondContact O-N 3.2Å; D197-G199 PolarHBondContact O-N 2.86Å; D197-K206 VanDerWaalsContact OD1-CE 3.27Å; D197-K206 WeakPolarHBondContact OD1-CE 3.39Å; D197-K206 IonicContact OD1-NZ 3.88Å; D197-K206 PolarHBondContact OD1-NZ 2.71Å; D197-K206 IonicContact OD2-NZ 3.84Å; D197-R232 IonicContact OD2-NH2 2.8Å; D197-R232 PolarHBondContact OD2-NH2 2.71Å
198	D	95.6	Very high	96.5	Very high	119 Å²	119	51.5 Å²	51.5	64%	0.636	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-5.7	172.9	-71.9	-18.7	0	0	0	113.1	K194 Q195 L196	K194-D198 PolarHBondContact O-N 3.43Å; Q195-D198 PolarHBondContact O-N 2.9Å; L196-D198 VanDerWaalsContact C-N 3.27Å; L196-D198 PolarHBondContact O-N 2.83Å
199	G	95.4	Very high	96.6	Very high	61 Å²	61	51.5 Å²	51.5	63%	0.629	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.7	16.8	172	0	0	0	0	0	115.6	Q195 L196 D197	Q195-G199 PolarHBondContact O-N 2.87Å; L196-G199 PolarHBondContact O-N 3.26Å; L196-G199 VanDerWaalsContact O-N 3.12Å; D197-G199 PolarHBondContact O-N 2.86Å
200	E	96.1	Very high	96.6	Very high	70 Å²	70	51.5 Å²	51.5	33%	0.327	29%	0.285	S	S	.	.			trans	-70	137.6	173.4	-168.8	172.4	142.9	0	0	111.4	T165 V166 Q195	T165-E200 VanDerWaalsContact CA-OE1 3.22Å; T165-E200 WeakPolarHBondContact CA-OE1 3.35Å; T165-E200 WeakPolarHBondContact CB-OE1 3.28Å; V166-E200 HydrophobicContact CG2-CB 3.76Å; V166-E200 HydrophobicContact CG2-CG 3.88Å; V166-E200 PolarHBondContact N-OE1 2.97Å; V166-E200 VanDerWaalsContact N-OE1 3.14Å; Q195-E200 WeakPolarHBondContact O-CB 3.46Å; Q195-E200 PolarHBondContact O-N 3.05Å; Q195-E200 PolarHBondContact OE1-OE2 3.41Å
201	E	94.9	Very high	96.6	Very high	187 Å²	187	50.3 Å²	50.3	87%	0.874	28%	0.279	S	S	*	.			trans	-74.1	134.8	175.9	-67.2	-174.3	175.4	0	0	110.3
202	A	96.8	Very high	96.7	Very high	36 Å²	36	52.6 Å²	52.6	30%	0.298	29%	0.288	S	S	.	.			trans	-144.6	155.4	-178.5	0	0	0	0	0	111.2	V166 L196 V204	V166-A202 HydrophobicContact CB-CB 3.59Å; V166-A202 HydrophobicContact CG1-CB 3.54Å; V166-A202 HydrophobicContact CG2-CB 4.13Å; L196-A202 HydrophobicContact CD1-CB 4.04Å; A202-V204 HydrophobicContact CB-CG1 4.16Å
203	V	96.8	Very high	96.7	Very high	130 Å²	130	52.6 Å²	52.6	79%	0.788	29%	0.288	S	S	*	.	S	Bend	trans	-78.4	-41.4	170.8	-179.7	0	0	0	0	110.3	D167	D167-V203 PolarHBondContact OD1-N 3.32Å; D167-V203 PolarHBondContact OD2-N 3.49Å
204	V	96.7	Very high	96.6	Very high	12 Å²	12	52.5 Å²	52.5	7%	0.073	29%	0.287	C	S	.	.	S	Bend	trans	-64.6	139	177.4	66.9	0	0	0	0	111.7	V166 D167 F170 A202 E208 I209	V166-V204 HydrophobicContact CG1-CG1 3.79Å; D167-V204 WeakPolarHBondContact OD1-CG1 2.96Å; D167-V204 PolarHBondContact OD1-N 2.9Å; F170-V204 HydrophobicContact CB-CG1 4.18Å; F170-V204 HydrophobicContact CD1-CB 4.01Å; F170-V204 HydrophobicContact CD1-CG1 4.41Å; F170-V204 HydrophobicContact CD1-CG2 3.62Å; F170-V204 HydrophobicContact CD2-CG2 3.93Å; F170-V204 HydrophobicContact CE1-CB 4.27Å; F170-V204 HydrophobicContact CE1-CG2 3.5Å; F170-V204 HydrophobicContact CE2-CG2 3.87Å; F170-V204 HydrophobicContact CG-CB 4.27Å; F170-V204 HydrophobicContact CG-CG1 4.23Å; F170-V204 HydrophobicContact CG-CG2 3.81Å; F170-V204 HydrophobicContact CZ-CG2 3.64Å; A202-V204 HydrophobicContact CB-CG1 4.16Å; V204-E208 HydrophobicContact CG2-CB 3.84Å; V204-I209 HydrophobicContact CG1-CD1 3.98Å; V204-I209 HydrophobicContact CG1-CG1 4.2Å; V204-I209 HydrophobicContact CG2-CG1 3.91Å
205	T	96.9	Very high	96.7	Very high	69 Å²	69	52.7 Å²	52.7	42%	0.423	29%	0.287	S	S	.	.			trans	-85.5	152.5	177.7	67.3	0	0	0	0	112.4	A207 E208 I209	T205-A207 PolarHBondContact O-N 3.36Å; T205-E208 WeakPolarHBondContact CB-OE2 3.22Å; T205-E208 WeakPolarHBondContact CG2-OE2 3.4Å; T205-E208 PolarHBondContact N-OE2 3.01Å; T205-E208 PolarHBondContact O-N 3.11Å; T205-E208 VanDerWaalsContact O-N 3.11Å; T205-E208 VanDerWaalsContact OG1-CG 3.3Å; T205-E208 WeakPolarHBondContact OG1-CG 3.24Å; T205-E208 PolarHBondContact OG1-N 2.85Å; T205-E208 PolarHBondContact OG1-OE2 2.87Å; T205-I209 PolarHBondContact O-N 3.25Å; T205-I209 VanDerWaalsContact O-N 3.17Å
206	K	97	Very high	96.8	Very high	66 Å²	66	52.3 Å²	52.3	29%	0.287	29%	0.285	S	S	.	.	H	α-helix	trans	-56.2	-32.8	172	-173	166.7	-178.6	164.5	0	112.8	L193 L196 D197 L210 V236	L193-K206 HydrophobicContact CD1-CD 4.43Å; L193-K206 HydrophobicContact CD1-CG 3.94Å; L196-K206 HydrophobicContact CD2-CB 3.74Å; L196-K206 HydrophobicContact CD2-CG 4.37Å; D197-K206 VanDerWaalsContact OD1-CE 3.27Å; D197-K206 WeakPolarHBondContact OD1-CE 3.39Å; D197-K206 IonicContact OD1-NZ 3.88Å; D197-K206 PolarHBondContact OD1-NZ 2.71Å; D197-K206 IonicContact OD2-NZ 3.84Å; K206-L210 HydrophobicContact CG-CD1 3.97Å; K206-L210 HydrophobicContact CG-CG 4.45Å; K206-L210 WeakPolarHBondContact O-CB 3.32Å; K206-L210 WeakPolarHBondContact O-CD1 3.41Å; K206-L210 VanDerWaalsContact O-CG 3.25Å; K206-L210 WeakPolarHBondContact O-CG 3.2Å; K206-L210 PolarHBondContact O-N 3.18Å; K206-L210 VanDerWaalsContact O-N 3.09Å; K206-V236 HydrophobicContact CD-CG2 4.33Å
207	A	97	Very high	96.8	Very high	11 Å²	11	50.5 Å²	50.5	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-45.5	177	0	0	0	0	0	111.5	T205 L210 D211 L233 V236 D237	T205-A207 PolarHBondContact O-N 3.36Å; A207-L210 PolarHBondContact O-N 2.76Å; A207-D211 PolarHBondContact O-N 2.89Å; A207-L233 HydrophobicContact CB-CD1 3.75Å; A207-L233 VanDerWaalsContact O-CD1 3.27Å; A207-L233 WeakPolarHBondContact O-CD1 3.45Å; A207-V236 HydrophobicContact CB-CG1 4.39Å; A207-D237 HydrophobicContact CB-CB 4.22Å
208	E	97.2	Very high	96.8	Very high	84 Å²	84	49.2 Å²	49.2	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-46.7	176.9	-73.4	166.8	109.4	0	0	111.9	F170 V204 T205 L210 D211 Y212	F170-E208 HydrophobicContact CZ-CB 4.22Å; V204-E208 HydrophobicContact CG2-CB 3.84Å; T205-E208 WeakPolarHBondContact CB-OE2 3.22Å; T205-E208 WeakPolarHBondContact CG2-OE2 3.4Å; T205-E208 PolarHBondContact N-OE2 3.01Å; T205-E208 PolarHBondContact O-N 3.11Å; T205-E208 VanDerWaalsContact O-N 3.11Å; T205-E208 VanDerWaalsContact OG1-CG 3.3Å; T205-E208 WeakPolarHBondContact OG1-CG 3.24Å; T205-E208 PolarHBondContact OG1-N 2.85Å; T205-E208 PolarHBondContact OG1-OE2 2.87Å; E208-L210 PolarHBondContact O-N 3.35Å; E208-D211 PolarHBondContact O-N 3.07Å; E208-Y212 WeakPolarHBondContact O-CD2 3.4Å; E208-Y212 PolarHBondContact O-N 3.22Å
209	I	97.9	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-47.3	177.9	-58.5	173.2	0	0	0	110.8	V166 F170 F189 A192 L193 L196 V204 T205 D211 Y212 L213	V166-I209 HydrophobicContact CG1-CD1 4.16Å; F170-I209 HydrophobicContact CD2-CG1 3.78Å; F170-I209 HydrophobicContact CE2-CG1 4.12Å; F189-I209 HydrophobicContact CB-CG2 4.35Å; F189-I209 WeakPolarHBondContact O-CG2 3.44Å; A192-I209 HydrophobicContact CB-CD1 4.1Å; L193-I209 HydrophobicContact CB-CG2 3.84Å; L193-I209 HydrophobicContact CD1-CG2 4.48Å; L196-I209 HydrophobicContact CD2-CD1 3.81Å; V204-I209 HydrophobicContact CG1-CD1 3.98Å; V204-I209 HydrophobicContact CG1-CG1 4.2Å; V204-I209 HydrophobicContact CG2-CG1 3.91Å; T205-I209 PolarHBondContact O-N 3.25Å; T205-I209 VanDerWaalsContact O-N 3.17Å; I209-D211 VanDerWaalsContact C-N 3.33Å; I209-D211 PolarHBondContact O-N 3.07Å; I209-Y212 PolarHBondContact O-N 2.89Å; I209-L213 WeakPolarHBondContact O-CB 2.96Å; I209-L213 PolarHBondContact O-N 3.23Å
210	L	97.6	Very high	96.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-33.8	-178.7	-74	169.6	0	0	0	112.9	L193 K206 A207 E208 S214 L229 R232 L233 V236	L193-L210 HydrophobicContact CD1-CD2 4.34Å; L193-L210 HydrophobicContact CD1-CG 4.38Å; L193-L210 HydrophobicContact CD2-CD2 3.74Å; K206-L210 HydrophobicContact CG-CD1 3.97Å; K206-L210 HydrophobicContact CG-CG 4.45Å; K206-L210 WeakPolarHBondContact O-CB 3.32Å; K206-L210 WeakPolarHBondContact O-CD1 3.41Å; K206-L210 VanDerWaalsContact O-CG 3.25Å; K206-L210 WeakPolarHBondContact O-CG 3.2Å; K206-L210 PolarHBondContact O-N 3.18Å; K206-L210 VanDerWaalsContact O-N 3.09Å; A207-L210 PolarHBondContact O-N 2.76Å; E208-L210 PolarHBondContact O-N 3.35Å; L210-S214 WeakPolarHBondContact O-CB 3.38Å; L210-S214 PolarHBondContact O-N 3.29Å; L210-S214 PolarHBondContact O-OG 3.34Å; L210-L229 HydrophobicContact CD2-CD2 3.98Å; L210-R232 HydrophobicContact CD1-CB 4.08Å; L210-R232 HydrophobicContact CD2-CB 4.34Å; L210-L233 HydrophobicContact CB-CB 4.02Å; L210-L233 HydrophobicContact CB-CD1 4.2Å; L210-L233 HydrophobicContact CD1-CB 4.43Å; L210-V236 HydrophobicContact CD1-CG2 4.43Å
211	D	97.5	Very high	96.6	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.048	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-53.8	177.3	-168.8	19.7	0	0	0	110.8	A207 E208 I209 L213 S214 Y215 L233 H240 R242	A207-D211 PolarHBondContact O-N 2.89Å; E208-D211 PolarHBondContact O-N 3.07Å; I209-D211 VanDerWaalsContact C-N 3.33Å; I209-D211 PolarHBondContact O-N 3.07Å; D211-L213 PolarHBondContact O-N 3.42Å; D211-S214 PolarHBondContact O-N 3.46Å; D211-S214 PolarHBondContact O-OG 3.08Å; D211-S214 VanDerWaalsContact O-OG 3.06Å; D211-Y215 PolarHBondContact O-N 2.82Å; D211-L233 HydrophobicContact CB-CD2 3.89Å; D211-H240 IonicContact OD2-CE1 3.02Å; D211-H240 PolarHBondContact OD2-CE1 3.28Å; D211-H240 IonicContact OD2-NE2 3.46Å; D211-R242 IonicContact OD1-NE 3.9Å; D211-R242 IonicContact OD1-NH2 2.72Å; D211-R242 IonicContact OD2-CZ 3.9Å; D211-R242 VanDerWaalsContact OD2-CZ 3.29Å; D211-R242 IonicContact OD2-NE 3.21Å; D211-R242 PolarHBondContact OD2-NE 3.17Å; D211-R242 IonicContact OD2-NH2 3.99Å; D211-R242 PolarHBondContact OD2-NH2 3.35Å
212	Y	98.1	Very high	96.6	Very high	58 Å²	58	38 Å²	38	23%	0.227	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-43.2	176.9	-79	-78.3	0	0	0	112.8	F170 Y177 F189 E208 I209 S216	F170-Y212 AromaticContact CE2-CD2 3.83Å; F170-Y212 HydrophobicContact CE2-CD2 3.83Å; F170-Y212 HydrophobicContact CE2-CE2 4.38Å; F170-Y212 AromaticContact CZ-CD2 3.82Å; F170-Y212 HydrophobicContact CZ-CD2 3.82Å; F170-Y212 AromaticContact CZ-CE2 3.9Å; F170-Y212 HydrophobicContact CZ-CE2 3.9Å; Y177-Y212 HydrophobicContact CD1-CD1 4.11Å; Y177-Y212 AromaticContact CD1-CE1 3.99Å; Y177-Y212 HydrophobicContact CD1-CE1 3.99Å; Y177-Y212 AromaticContact CD2-CD1 3.89Å; Y177-Y212 HydrophobicContact CD2-CD1 3.89Å; Y177-Y212 HydrophobicContact CE1-CD1 4.17Å; Y177-Y212 AromaticContact CE1-CE1 3.97Å; Y177-Y212 HydrophobicContact CE1-CE1 3.97Å; Y177-Y212 AromaticContact CE2-CD1 3.89Å; Y177-Y212 HydrophobicContact CE2-CD1 3.89Å; Y177-Y212 HydrophobicContact CE2-CE1 4.5Å; Y177-Y212 AromaticContact CG-CD1 4Å; Y177-Y212 HydrophobicContact CG-CD1 4Å; Y177-Y212 HydrophobicContact CG-CE1 4.32Å; F189-Y212 HydrophobicContact CE1-CG 4.34Å; F189-Y212 HydrophobicContact CE2-CD1 4.36Å; F189-Y212 HydrophobicContact CE2-CG 4.22Å; F189-Y212 VanDerWaalsContact CZ-CB 3.5Å; F189-Y212 HydrophobicContact CZ-CD1 4.03Å; F189-Y212 AromaticContact CZ-CG 3.82Å; F189-Y212 HydrophobicContact CZ-CG 3.82Å; E208-Y212 WeakPolarHBondContact O-CD2 3.4Å; E208-Y212 PolarHBondContact O-N 3.22Å; I209-Y212 PolarHBondContact O-N 2.89Å; Y212-S216 WeakPolarHBondContact O-CB 3.32Å; Y212-S216 PolarHBondContact O-N 3.41Å; Y212-S216 PolarHBondContact O-OG 3.39Å
213	L	97.6	Very high	96.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-47.3	-179.9	-178.8	58.1	0	0	0	111.3	V186 F189 Q190 L193 I209 D211 Y215 S216 V217 L229 I273	V186-L213 HydrophobicContact CB-CD1 4.35Å; V186-L213 HydrophobicContact CG1-CD1 3.85Å; V186-L213 HydrophobicContact CG2-CD1 4.48Å; F189-L213 HydrophobicContact CB-CB 3.94Å; F189-L213 HydrophobicContact CB-CD1 3.88Å; F189-L213 HydrophobicContact CB-CG 4.35Å; Q190-L213 HydrophobicContact CB-CD1 4.47Å; L193-L213 HydrophobicContact CD2-CD2 3.86Å; I209-L213 WeakPolarHBondContact O-CB 2.96Å; I209-L213 PolarHBondContact O-N 3.23Å; D211-L213 PolarHBondContact O-N 3.42Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.11Å; L213-S216 PolarHBondContact O-N 3.37Å; L213-V217 HydrophobicContact CD1-CG2 4.01Å; L213-V217 HydrophobicContact CG-CG2 4.41Å; L213-V217 WeakPolarHBondContact O-CB 3.15Å; L213-V217 VanDerWaalsContact O-CG2 3.31Å; L213-V217 WeakPolarHBondContact O-CG2 3.47Å; L213-V217 PolarHBondContact O-N 3.34Å; L213-L229 HydrophobicContact CD2-CD1 4.23Å; L213-L229 HydrophobicContact CD2-CD2 3.97Å; L213-L229 HydrophobicContact CG-CD1 3.89Å; L213-L229 HydrophobicContact CG-CD2 4.5Å; L213-I273 HydrophobicContact CD1-CD1 4.46Å
214	S	96.8	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-39.7	-178.1	69	0	0	0	0	112.5	L210 D211 Y218	L210-S214 WeakPolarHBondContact O-CB 3.38Å; L210-S214 PolarHBondContact O-N 3.29Å; L210-S214 PolarHBondContact O-OG 3.34Å; D211-S214 PolarHBondContact O-N 3.46Å; D211-S214 PolarHBondContact O-OG 3.08Å; D211-S214 VanDerWaalsContact O-OG 3.06Å; S214-Y218 WeakPolarHBondContact O-CB 3.32Å; S214-Y218 PolarHBondContact O-N 3.28Å
215	Y	97	Very high	96.2	Very high	72 Å²	72	32.2 Å²	32.2	28%	0.282	17%	0.168	S	C	.	.	H	α-helix	trans	-68.8	-42.1	174.9	-176.5	-90.9	0	0	0	112	Y177 Y182 D211 L213 V217 Y218 Q219	Y177-Y215 AromaticContact CE2-CD1 3.56Å; Y177-Y215 HydrophobicContact CE2-CD1 3.56Å; Y177-Y215 HydrophobicContact CE2-CE1 4.06Å; Y177-Y215 HydrophobicContact CE2-CG 4.47Å; Y177-Y215 AromaticContact CZ-CD1 3.92Å; Y177-Y215 WeakPolarHBondContact OH-CD1 3.34Å; Y177-Y215 WeakPolarHBondContact OH-CE1 2.98Å; Y182-Y215 HydrophobicContact CE1-CD1 4.2Å; Y182-Y215 AromaticContact CE1-CE1 3.94Å; Y182-Y215 HydrophobicContact CE1-CE1 3.94Å; D211-Y215 PolarHBondContact O-N 2.82Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.11Å; Y215-V217 PolarHBondContact O-N 3.3Å; Y215-Y218 HydrophobicContact CD2-CD1 4.3Å; Y215-Y218 HydrophobicContact CE2-CD1 4.37Å; Y215-Y218 WeakPolarHBondContact O-CB 3.47Å; Y215-Y218 PolarHBondContact O-N 3.19Å; Y215-Q219 HydrophobicContact CD1-CG 3.86Å; Y215-Q219 HydrophobicContact CE1-CG 3.58Å; Y215-Q219 WeakPolarHBondContact O-CG 3.45Å; Y215-Q219 PolarHBondContact O-N 3.45Å; Y215-Q219 PolarHBondContact OH-NE2 3.21Å
216	S	97.4	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-41.6	179.7	-54	0	0	0	0	111.3	Y177 V186 Y212 L213 Y218 Q219 M220	Y177-S216 WeakPolarHBondContact CD2-OG 3.32Å; V186-S216 VanDerWaalsContact CG2-CB 3.43Å; Y212-S216 WeakPolarHBondContact O-CB 3.32Å; Y212-S216 PolarHBondContact O-N 3.41Å; Y212-S216 PolarHBondContact O-OG 3.39Å; L213-S216 PolarHBondContact O-N 3.37Å; S216-Y218 VanDerWaalsContact C-N 3.33Å; S216-Y218 PolarHBondContact O-N 3.45Å; S216-Q219 WeakPolarHBondContact O-CB 3.32Å; S216-Q219 PolarHBondContact O-N 3.18Å; S216-Q219 VanDerWaalsContact O-N 3.17Å; S216-M220 WeakPolarHBondContact O-CG 3.48Å; S216-M220 PolarHBondContact O-N 3.16Å; S216-M220 VanDerWaalsContact O-N 3.07Å
217	V	96.5	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-41.1	173.3	169.9	0	0	0	0	111.4	V186 L213 Y215 Q219 M220 G221 D222 R225 A226 L229 I273	V186-V217 HydrophobicContact CG1-CG2 3.86Å; V186-V217 HydrophobicContact CG2-CG2 3.8Å; L213-V217 HydrophobicContact CD1-CG2 4.01Å; L213-V217 HydrophobicContact CG-CG2 4.41Å; L213-V217 WeakPolarHBondContact O-CB 3.15Å; L213-V217 VanDerWaalsContact O-CG2 3.31Å; L213-V217 WeakPolarHBondContact O-CG2 3.47Å; L213-V217 PolarHBondContact O-N 3.34Å; Y215-V217 PolarHBondContact O-N 3.3Å; V217-Q219 VanDerWaalsContact C-N 3.35Å; V217-Q219 PolarHBondContact O-N 3.41Å; V217-M220 PolarHBondContact O-N 3.49Å; V217-G221 PolarHBondContact O-N 3.07Å; V217-D222 HydrophobicContact CG1-CB 3.89Å; V217-D222 WeakPolarHBondContact CG1-O 3.42Å; V217-D222 PolarHBondContact O-N 2.8Å; V217-R225 HydrophobicContact CG1-CB 3.91Å; V217-R225 HydrophobicContact CG1-CG 4.08Å; V217-A226 HydrophobicContact CG1-CB 4.22Å; V217-L229 HydrophobicContact CB-CD1 4.17Å; V217-L229 HydrophobicContact CG1-CD1 4.38Å; V217-L229 HydrophobicContact CG2-CD1 3.78Å; V217-I273 HydrophobicContact CG2-CD1 3.71Å
218	Y	95.6	Very high	96	Very high	49 Å²	49	29 Å²	29	19%	0.192	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-43.1	172.8	159.8	-106.2	0	0	0	112.3	S214 Y215 S216 M220 G221 I223 F250 L253	S214-Y218 WeakPolarHBondContact O-CB 3.32Å; S214-Y218 PolarHBondContact O-N 3.28Å; Y215-Y218 HydrophobicContact CD2-CD1 4.3Å; Y215-Y218 HydrophobicContact CE2-CD1 4.37Å; Y215-Y218 WeakPolarHBondContact O-CB 3.47Å; Y215-Y218 PolarHBondContact O-N 3.19Å; S216-Y218 VanDerWaalsContact C-N 3.33Å; S216-Y218 PolarHBondContact O-N 3.45Å; Y218-M220 PolarHBondContact O-N 2.9Å; Y218-G221 WeakPolarHBondContact O-CA 3.34Å; Y218-G221 PolarHBondContact O-N 3.32Å; Y218-I223 HydrophobicContact CD2-CG1 4.39Å; Y218-F250 AromaticContact CD1-CE1 3.73Å; Y218-F250 HydrophobicContact CD1-CE1 3.73Å; Y218-F250 HydrophobicContact CD1-CZ 4.19Å; Y218-F250 AromaticContact CD2-CD1 3.76Å; Y218-F250 HydrophobicContact CD2-CD1 3.76Å; Y218-F250 AromaticContact CD2-CE1 3.53Å; Y218-F250 HydrophobicContact CD2-CE1 3.53Å; Y218-F250 HydrophobicContact CD2-CZ 4.39Å; Y218-F250 HydrophobicContact CE1-CE1 4.17Å; Y218-F250 HydrophobicContact CE2-CD1 4.14Å; Y218-F250 HydrophobicContact CE2-CE1 4.01Å; Y218-F250 HydrophobicContact CG-CD1 4.08Å; Y218-F250 AromaticContact CG-CE1 3.38Å; Y218-F250 HydrophobicContact CG-CE1 3.38Å; Y218-F250 AromaticContact CG-CZ 3.87Å; Y218-F250 HydrophobicContact CG-CZ 3.87Å; Y218-L253 HydrophobicContact CD2-CD2 4.48Å; Y218-L253 HydrophobicContact CE2-CD2 3.55Å
219	Q	95.9	Very high	95.9	Very high	74 Å²	74	25.3 Å²	25.3	35%	0.346	13%	0.13	S	C	.	.	H	α-helix	trans	-64.2	-28.6	176.9	-67.5	-66.6	-25.2	0	0	112.7	Y182 Y215 S216 V217 G221	Y182-Q219 HydrophobicContact CD1-CB 4Å; Y182-Q219 HydrophobicContact CD1-CG 4.02Å; Y182-Q219 HydrophobicContact CD2-CB 3.47Å; Y182-Q219 VanDerWaalsContact CD2-CB 3.47Å; Y182-Q219 HydrophobicContact CD2-CG 3.89Å; Y182-Q219 HydrophobicContact CE1-CB 4.34Å; Y182-Q219 HydrophobicContact CE1-CG 3.88Å; Y182-Q219 HydrophobicContact CE2-CB 3.85Å; Y182-Q219 HydrophobicContact CE2-CG 3.73Å; Y182-Q219 HydrophobicContact CG-CB 3.54Å; Y182-Q219 HydrophobicContact CG-CG 4.02Å; Y215-Q219 HydrophobicContact CD1-CG 3.86Å; Y215-Q219 HydrophobicContact CE1-CG 3.58Å; Y215-Q219 WeakPolarHBondContact O-CG 3.45Å; Y215-Q219 PolarHBondContact O-N 3.45Å; Y215-Q219 PolarHBondContact OH-NE2 3.21Å; S216-Q219 WeakPolarHBondContact O-CB 3.32Å; S216-Q219 PolarHBondContact O-N 3.18Å; S216-Q219 VanDerWaalsContact O-N 3.17Å; V217-Q219 VanDerWaalsContact C-N 3.35Å; V217-Q219 PolarHBondContact O-N 3.41Å; Q219-G221 PolarHBondContact O-N 2.79Å
220	M	94.8	Very high	95.9	Very high	43 Å²	43	25.3 Å²	25.3	21%	0.212	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.3	171.7	-63.3	-53.6	-64.2	0	0	113.7	Y183 V186 S216 V217 Y218 Y278	Y183-M220 HydrophobicContact CD2-CE 4.26Å; V186-M220 HydrophobicContact CG2-CG 4.24Å; S216-M220 WeakPolarHBondContact O-CG 3.48Å; S216-M220 PolarHBondContact O-N 3.16Å; S216-M220 VanDerWaalsContact O-N 3.07Å; V217-M220 PolarHBondContact O-N 3.49Å; Y218-M220 PolarHBondContact O-N 2.9Å; M220-Y278 HydrophobicContact CB-CD1 4.28Å; M220-Y278 HydrophobicContact CB-CD2 4.24Å; M220-Y278 HydrophobicContact CB-CE2 4.47Å; M220-Y278 HydrophobicContact CB-CG 4.14Å; M220-Y278 HydrophobicContact CE-CG 4.17Å; M220-Y278 HydrophobicContact CG-CD2 4.23Å; M220-Y278 HydrophobicContact CG-CG 4.45Å
221	G	92.9	Very high	95.8	Very high	54 Å²	54	31.2 Å²	31.2	56%	0.557	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	0.9	175.3	0	0	0	0	0	115.5	V217 Y218 Q219 I223	V217-G221 PolarHBondContact O-N 3.07Å; Y218-G221 WeakPolarHBondContact O-CA 3.34Å; Y218-G221 PolarHBondContact O-N 3.32Å; Q219-G221 PolarHBondContact O-N 2.79Å; G221-I223 VanDerWaalsContact C-N 3.34Å; G221-I223 PolarHBondContact O-N 3.13Å; G221-I223 VanDerWaalsContact O-N 3.1Å
222	D	93.9	Very high	95.7	Very high	32 Å²	32	34.7 Å²	34.7	17%	0.171	17%	0.165	C	C	.	.			trans	-87.6	73.8	178.1	-172.5	-8.3	0	0	0	110.8	V217 R225 A226 Y278	V217-D222 HydrophobicContact CG1-CB 3.89Å; V217-D222 WeakPolarHBondContact CG1-O 3.42Å; V217-D222 PolarHBondContact O-N 2.8Å; D222-R225 HydrophobicContact CB-CB 4.4Å; D222-R225 PolarHBondContact O-N 2.9Å; D222-R225 VanDerWaalsContact OD1-CB 3.25Å; D222-R225 WeakPolarHBondContact OD1-CB 3.49Å; D222-R225 PolarHBondContact OD1-N 3.17Å; D222-R225 VanDerWaalsContact OD1-N 3.12Å; D222-R225 VanDerWaalsContact OD2-CB 3.32Å; D222-R225 WeakPolarHBondContact OD2-CB 3.39Å; D222-R225 IonicContact OD2-CZ 2.76Å; D222-R225 IonicContact OD2-NE 3.77Å; D222-R225 IonicContact OD2-NH1 2.76Å; D222-R225 PolarHBondContact OD2-NH1 3.22Å; D222-A226 WeakPolarHBondContact O-CB 3.2Å; D222-A226 PolarHBondContact O-N 3.19Å; D222-Y278 HydrophobicContact CB-CE1 3.69Å; D222-Y278 PolarHBondContact OD2-OH 3.15Å; D222-Y278 VanDerWaalsContact OD2-OH 3.1Å
223	I	94.1	Very high	95.6	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.056	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-43.4	-178.3	-55	168.5	0	0	0	112.4	Y218 G221 R225 A226 I227 F250 L253 L254	Y218-I223 HydrophobicContact CD2-CG1 4.39Å; G221-I223 VanDerWaalsContact C-N 3.34Å; G221-I223 PolarHBondContact O-N 3.13Å; G221-I223 VanDerWaalsContact O-N 3.1Å; I223-R225 VanDerWaalsContact C-N 3.32Å; I223-R225 PolarHBondContact O-N 2.87Å; I223-A226 PolarHBondContact O-N 2.71Å; I223-I227 HydrophobicContact CG2-CD1 4Å; I223-I227 HydrophobicContact CG2-CG1 4.36Å; I223-I227 WeakPolarHBondContact O-CG1 3.37Å; I223-I227 PolarHBondContact O-N 3.5Å; I223-F250 HydrophobicContact CG2-CB 4.24Å; I223-L253 HydrophobicContact CD1-CD2 3.64Å; I223-L253 HydrophobicContact CD1-CG 4.03Å; I223-L253 HydrophobicContact CG1-CD2 4.35Å; I223-L254 HydrophobicContact CB-CD1 4.46Å; I223-L254 HydrophobicContact CG2-CB 3.85Å; I223-L254 HydrophobicContact CG2-CD1 4.48Å
224	P	94.1	Very high	95.5	Very high	28 Å²	28	34.1 Å²	34.1	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-55.4	-45.7	177.4	-26.9	36.6	0	0	0	112.8	I227 E228 L254 A268	P224-I227 PolarHBondContact O-N 3.37Å; P224-E228 PolarHBondContact O-N 3.44Å; P224-L254 HydrophobicContact CG-CD1 4.33Å; P224-L254 HydrophobicContact CG-CD2 4.33Å; P224-A268 HydrophobicContact CB-CB 4.13Å
225	R	95.1	Very high	95.5	Very high	16 Å²	16	38 Å²	38	6%	0.06	20%	0.199	C	C	.	.	H	α-helix	trans	-71.4	-36.2	178.7	-171.3	172.7	-78.5	163.5	-19.1	112.6	V217 D222 I223 I227 E228 L229 A268 S269 E271 Y278	V217-R225 HydrophobicContact CG1-CB 3.91Å; V217-R225 HydrophobicContact CG1-CG 4.08Å; D222-R225 HydrophobicContact CB-CB 4.4Å; D222-R225 PolarHBondContact O-N 2.9Å; D222-R225 VanDerWaalsContact OD1-CB 3.25Å; D222-R225 WeakPolarHBondContact OD1-CB 3.49Å; D222-R225 PolarHBondContact OD1-N 3.17Å; D222-R225 VanDerWaalsContact OD1-N 3.12Å; D222-R225 VanDerWaalsContact OD2-CB 3.32Å; D222-R225 WeakPolarHBondContact OD2-CB 3.39Å; D222-R225 IonicContact OD2-CZ 2.76Å; D222-R225 IonicContact OD2-NE 3.77Å; D222-R225 IonicContact OD2-NH1 2.76Å; D222-R225 PolarHBondContact OD2-NH1 3.22Å; I223-R225 VanDerWaalsContact C-N 3.32Å; I223-R225 PolarHBondContact O-N 2.87Å; R225-I227 VanDerWaalsContact C-N 3.3Å; R225-I227 PolarHBondContact O-N 3.4Å; R225-E228 PolarHBondContact O-N 3.46Å; R225-L229 HydrophobicContact CG-CD1 4.18Å; R225-L229 HydrophobicContact CG-CG 4.46Å; R225-L229 WeakPolarHBondContact O-CG 3.35Å; R225-L229 PolarHBondContact O-N 2.9Å; R225-A268 HydrophobicContact CB-CB 4.17Å; R225-S269 PolarHBondContact NE-O 2.71Å; R225-S269 VanDerWaalsContact NH2-CB 3.35Å; R225-S269 PolarHBondContact NH2-O 3.32Å; R225-E271 PolarHBondContact NH2-O 3.41Å; R225-Y278 PolarHBondContact NH1-OH 3.28Å
226	A	95.9	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-43.7	172.4	0	0	0	0	0	111.7	V217 D222 I223 E228 L229 T230 F250	V217-A226 HydrophobicContact CG1-CB 4.22Å; D222-A226 WeakPolarHBondContact O-CB 3.2Å; D222-A226 PolarHBondContact O-N 3.19Å; I223-A226 PolarHBondContact O-N 2.71Å; A226-E228 PolarHBondContact O-N 3.28Å; A226-L229 PolarHBondContact O-N 3.41Å; A226-T230 PolarHBondContact O-N 3.37Å; A226-T230 PolarHBondContact O-OG1 3.43Å; A226-F250 HydrophobicContact CB-CD2 4.24Å; A226-F250 HydrophobicContact CB-CE2 4.28Å
227	I	95.5	Very high	95.3	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-46	175.4	-70.3	167	0	0	0	111.1	I223 P224 R225 T230 R231 L247 F250 E251 L254	I223-I227 HydrophobicContact CG2-CD1 4Å; I223-I227 HydrophobicContact CG2-CG1 4.36Å; I223-I227 WeakPolarHBondContact O-CG1 3.37Å; I223-I227 PolarHBondContact O-N 3.5Å; P224-I227 PolarHBondContact O-N 3.37Å; R225-I227 VanDerWaalsContact C-N 3.3Å; R225-I227 PolarHBondContact O-N 3.4Å; I227-T230 PolarHBondContact O-N 3.4Å; I227-R231 WeakPolarHBondContact O-CG 3.34Å; I227-R231 PolarHBondContact O-N 2.93Å; I227-L247 HydrophobicContact CG2-CD1 3.83Å; I227-F250 HydrophobicContact CD1-CB 4.24Å; I227-F250 HydrophobicContact CG1-CB 3.57Å; I227-E251 HydrophobicContact CD1-CG 4.01Å; I227-E251 HydrophobicContact CG1-CG 4.27Å; I227-E251 HydrophobicContact CG2-CG 4.21Å; I227-L254 HydrophobicContact CD1-CB 4.18Å; I227-L254 HydrophobicContact CD1-CD2 3.69Å
228	E	94.9	Very high	95.2	Very high	74 Å²	74	45.3 Å²	45.3	35%	0.346	25%	0.252	S	S	.	.	H	α-helix	trans	-61.1	-47.2	179.1	-169.6	-166.2	162.2	0	0	111.8	P224 R225 A226 T230 R231 R232 A268	P224-E228 PolarHBondContact O-N 3.44Å; R225-E228 PolarHBondContact O-N 3.46Å; A226-E228 PolarHBondContact O-N 3.28Å; E228-T230 VanDerWaalsContact C-N 3.34Å; E228-T230 PolarHBondContact O-N 3.45Å; E228-R231 WeakPolarHBondContact O-CB 3.23Å; E228-R231 PolarHBondContact O-N 3.21Å; E228-R231 VanDerWaalsContact O-N 3.14Å; E228-R232 PolarHBondContact O-N 3.14Å; E228-A268 HydrophobicContact CB-CB 4.31Å; E228-A268 VanDerWaalsContact OE2-CB 3.22Å; E228-A268 WeakPolarHBondContact OE2-CB 3.4Å
229	L	95.6	Very high	95.1	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-41.1	177	-68.9	167.3	0	0	0	111.7	L210 L213 V217 R225 A226 R231 R232 L233	L210-L229 HydrophobicContact CD2-CD2 3.98Å; L213-L229 HydrophobicContact CD2-CD1 4.23Å; L213-L229 HydrophobicContact CD2-CD2 3.97Å; L213-L229 HydrophobicContact CG-CD1 3.89Å; L213-L229 HydrophobicContact CG-CD2 4.5Å; V217-L229 HydrophobicContact CB-CD1 4.17Å; V217-L229 HydrophobicContact CG1-CD1 4.38Å; V217-L229 HydrophobicContact CG2-CD1 3.78Å; R225-L229 HydrophobicContact CG-CD1 4.18Å; R225-L229 HydrophobicContact CG-CG 4.46Å; R225-L229 WeakPolarHBondContact O-CG 3.35Å; R225-L229 PolarHBondContact O-N 2.9Å; A226-L229 PolarHBondContact O-N 3.41Å; L229-R231 VanDerWaalsContact C-N 3.33Å; L229-R231 PolarHBondContact O-N 3.48Å; L229-R232 WeakPolarHBondContact O-CB 3.02Å; L229-R232 PolarHBondContact O-N 3.44Å; L229-L233 PolarHBondContact O-N 2.95Å
230	T	96.3	Very high	95.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-33	175.1	-50.9	0	0	0	0	112	A226 I227 E228 L233 V234 A243 N246 L247	A226-T230 PolarHBondContact O-N 3.37Å; A226-T230 PolarHBondContact O-OG1 3.43Å; I227-T230 PolarHBondContact O-N 3.4Å; E228-T230 VanDerWaalsContact C-N 3.34Å; E228-T230 PolarHBondContact O-N 3.45Å; T230-L233 WeakPolarHBondContact O-CB 3.26Å; T230-L233 PolarHBondContact O-N 3.02Å; T230-V234 WeakPolarHBondContact O-CG2 3.2Å; T230-V234 PolarHBondContact O-N 3.25Å; T230-A243 HydrophobicContact CG2-CB 4.34Å; T230-A243 VanDerWaalsContact CG2-O 3.3Å; T230-A243 WeakPolarHBondContact CG2-O 3.37Å; T230-N246 HydrophobicContact CG2-CB 4.38Å; T230-L247 HydrophobicContact CG2-CB 3.79Å
231	R	95.8	Very high	94.9	Very high	124 Å²	124	53.2 Å²	53.2	47%	0.468	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-41.5	171.6	-74.7	174.1	-179.1	166.7	2.7	111.6	I227 E228 L229 L233 V234 A235 L247 E251	I227-R231 WeakPolarHBondContact O-CG 3.34Å; I227-R231 PolarHBondContact O-N 2.93Å; E228-R231 WeakPolarHBondContact O-CB 3.23Å; E228-R231 PolarHBondContact O-N 3.21Å; E228-R231 VanDerWaalsContact O-N 3.14Å; L229-R231 VanDerWaalsContact C-N 3.33Å; L229-R231 PolarHBondContact O-N 3.48Å; R231-L233 VanDerWaalsContact C-N 3.31Å; R231-L233 PolarHBondContact O-N 3.04Å; R231-V234 PolarHBondContact O-N 3.47Å; R231-A235 WeakPolarHBondContact O-CB 3.03Å; R231-A235 PolarHBondContact O-N 3.49Å; R231-L247 HydrophobicContact CG-CD1 3.86Å; R231-L247 HydrophobicContact CG-CD2 4.12Å; R231-E251 IonicContact CZ-OE1 3.3Å; R231-E251 IonicContact NE-OE1 3.2Å; R231-E251 IonicContact NH2-OE1 3.63Å; R231-E251 PolarHBondContact NH2-OE1 2.81Å
232	R	95.4	Very high	95	Very high	82 Å²	82	56.4 Å²	56.4	31%	0.309	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-42.2	172	-69.9	175.5	62	-179.7	-0	111.2	D197 L210 E228 L229 A235 V236	D197-R232 IonicContact OD2-NH2 2.8Å; D197-R232 PolarHBondContact OD2-NH2 2.71Å; L210-R232 HydrophobicContact CD1-CB 4.08Å; L210-R232 HydrophobicContact CD2-CB 4.34Å; E228-R232 PolarHBondContact O-N 3.14Å; L229-R232 WeakPolarHBondContact O-CB 3.02Å; L229-R232 PolarHBondContact O-N 3.44Å; R232-A235 PolarHBondContact O-N 3.11Å; R232-V236 WeakPolarHBondContact O-CG2 3.26Å; R232-V236 PolarHBondContact O-N 3.17Å; R232-V236 VanDerWaalsContact O-N 3.08Å
233	L	96.8	Very high	94.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-50.2	176	176.4	55.8	0	0	0	111.7	A207 L210 D211 L229 T230 R231 A235 V236 D237 A243	A207-L233 HydrophobicContact CB-CD1 3.75Å; A207-L233 VanDerWaalsContact O-CD1 3.27Å; A207-L233 WeakPolarHBondContact O-CD1 3.45Å; L210-L233 HydrophobicContact CB-CB 4.02Å; L210-L233 HydrophobicContact CB-CD1 4.2Å; L210-L233 HydrophobicContact CD1-CB 4.43Å; D211-L233 HydrophobicContact CB-CD2 3.89Å; L229-L233 PolarHBondContact O-N 2.95Å; T230-L233 WeakPolarHBondContact O-CB 3.26Å; T230-L233 PolarHBondContact O-N 3.02Å; R231-L233 VanDerWaalsContact C-N 3.31Å; R231-L233 PolarHBondContact O-N 3.04Å; L233-A235 PolarHBondContact O-N 3.45Å; L233-V236 PolarHBondContact O-N 3.26Å; L233-V236 VanDerWaalsContact O-N 3.1Å; L233-D237 PolarHBondContact O-N 2.96Å; L233-A243 HydrophobicContact CD2-CB 3.6Å; L233-A243 HydrophobicContact CG-CB 3.75Å
234	V	96.4	Very high	94.8	Very high	46 Å²	46	55.8 Å²	55.8	28%	0.279	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-32.3	178	173.7	0	0	0	0	112.1	T230 R231 D237 P238 A243 L247	T230-V234 WeakPolarHBondContact O-CG2 3.2Å; T230-V234 PolarHBondContact O-N 3.25Å; R231-V234 PolarHBondContact O-N 3.47Å; V234-D237 CarbonylContact O-C 3.54Å; V234-P238 VanDerWaalsContact O-CA 3.29Å; V234-P238 WeakPolarHBondContact O-CA 3.29Å; V234-P238 WeakPolarHBondContact O-CG 3.24Å; V234-A243 HydrophobicContact CG2-CB 3.7Å; V234-L247 HydrophobicContact CG2-CD2 4.5Å
235	A	95.9	Very high	94.7	Very high	81 Å²	81	56.5 Å²	56.5	67%	0.669	31%	0.313	S	S	*	.	H	α-helix	trans	-70.4	-33.3	176	0	0	0	0	0	112.8	R231 R232 L233	R231-A235 WeakPolarHBondContact O-CB 3.03Å; R231-A235 PolarHBondContact O-N 3.49Å; R232-A235 PolarHBondContact O-N 3.11Å; L233-A235 PolarHBondContact O-N 3.45Å
236	V	95.3	Very high	94.6	Very high	74 Å²	74	57.7 Å²	57.7	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-80.5	-43.9	178.1	172.7	0	0	0	0	111.4	K206 A207 L210 R232 L233	K206-V236 HydrophobicContact CD-CG2 4.33Å; A207-V236 HydrophobicContact CB-CG1 4.39Å; L210-V236 HydrophobicContact CD1-CG2 4.43Å; R232-V236 WeakPolarHBondContact O-CG2 3.26Å; R232-V236 PolarHBondContact O-N 3.17Å; R232-V236 VanDerWaalsContact O-N 3.08Å; L233-V236 PolarHBondContact O-N 3.26Å; L233-V236 VanDerWaalsContact O-N 3.1Å
237	D	95.8	Very high	94.6	Very high	45 Å²	45	58.9 Å²	58.9	24%	0.241	33%	0.327	C	S	.	.			trans	-133.5	90.9	177.2	179.4	9	0	0	0	110.5	A207 L233 V234 S239 H240	A207-D237 HydrophobicContact CB-CB 4.22Å; L233-D237 PolarHBondContact O-N 2.96Å; V234-D237 CarbonylContact O-C 3.54Å; D237-S239 PolarHBondContact O-N 3.37Å; D237-S239 WeakPolarHBondContact OD1-CA 3.27Å; D237-S239 PolarHBondContact OD1-N 3.23Å; D237-S239 PolarHBondContact OD1-OG 3.18Å; D237-H240 HydrophobicContact CB-CB 4.13Å; D237-H240 VanDerWaalsContact O-CB 3.31Å; D237-H240 WeakPolarHBondContact O-CB 3.19Å; D237-H240 PolarHBondContact O-N 2.89Å; D237-H240 PolarHBondContact OD1-N 3.08Å; D237-H240 WeakPolarHBondContact OD2-CA 3.42Å; D237-H240 WeakPolarHBondContact OD2-CB 3.44Å; D237-H240 IonicContact OD2-CD2 3.49Å; D237-H240 PolarHBondContact OD2-CD2 3.12Å; D237-H240 IonicContact OD2-CG 3.85Å
238	P	94.1	Very high	94.6	Very high	107 Å²	107	67.6 Å²	67.6	70%	0.695	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-20.1	177.4	-22.5	33.2	0	0	0	114	V234	V234-P238 VanDerWaalsContact O-CA 3.29Å; V234-P238 WeakPolarHBondContact O-CA 3.29Å; V234-P238 WeakPolarHBondContact O-CG 3.24Å
239	S	93.6	Very high	94.6	Very high	103 Å²	103	68.7 Å²	68.7	72%	0.72	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	1.4	179.5	44.7	0	0	0	0	113.9	D237 E241	D237-S239 PolarHBondContact O-N 3.37Å; D237-S239 WeakPolarHBondContact OD1-CA 3.27Å; D237-S239 PolarHBondContact OD1-N 3.23Å; D237-S239 PolarHBondContact OD1-OG 3.18Å; S239-E241 PolarHBondContact O-N 3.01Å
240	H	95.1	Very high	94.6	Very high	37 Å²	37	68.5 Å²	68.5	17%	0.171	36%	0.36	C	S	.	.			trans	-60.1	120.5	-176.2	-164.9	-80.6	0	0	0	112.1	D211 D237 R242 A243	D211-H240 IonicContact OD2-CE1 3.02Å; D211-H240 PolarHBondContact OD2-CE1 3.28Å; D211-H240 IonicContact OD2-NE2 3.46Å; D237-H240 HydrophobicContact CB-CB 4.13Å; D237-H240 VanDerWaalsContact O-CB 3.31Å; D237-H240 WeakPolarHBondContact O-CB 3.19Å; D237-H240 PolarHBondContact O-N 2.89Å; D237-H240 PolarHBondContact OD1-N 3.08Å; D237-H240 WeakPolarHBondContact OD2-CA 3.42Å; D237-H240 WeakPolarHBondContact OD2-CB 3.44Å; D237-H240 IonicContact OD2-CD2 3.49Å; D237-H240 PolarHBondContact OD2-CD2 3.12Å; D237-H240 IonicContact OD2-CG 3.85Å; H240-R242 VanDerWaalsContact C-N 3.26Å; H240-R242 PolarHBondContact O-N 3.33Å; H240-R242 VanDerWaalsContact O-N 3.08Å; H240-A243 HydrophobicContact CB-CB 3.81Å; H240-A243 PolarHBondContact O-N 2.89Å
241	E	91.6	Very high	94.4	Very high	192 Å²	192	71.6 Å²	71.6	90%	0.897	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-39.5	-168.1	-63.3	-173.1	165.4	0	0	113.6	S239	S239-E241 PolarHBondContact O-N 3.01Å
242	R	92.9	Very high	94.4	Very high	121 Å²	121	74 Å²	74	46%	0.457	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-24.5	-174.2	-59	-168.7	-67.6	-174.7	-7.7	114.5	D211 H240 G244 G245 N246	D211-R242 IonicContact OD1-NE 3.9Å; D211-R242 IonicContact OD1-NH2 2.72Å; D211-R242 IonicContact OD2-CZ 3.9Å; D211-R242 VanDerWaalsContact OD2-CZ 3.29Å; D211-R242 IonicContact OD2-NE 3.21Å; D211-R242 PolarHBondContact OD2-NE 3.17Å; D211-R242 IonicContact OD2-NH2 3.99Å; D211-R242 PolarHBondContact OD2-NH2 3.35Å; H240-R242 VanDerWaalsContact C-N 3.26Å; H240-R242 PolarHBondContact O-N 3.33Å; H240-R242 VanDerWaalsContact O-N 3.08Å; R242-G244 PolarHBondContact O-N 3.37Å; R242-G245 PolarHBondContact O-N 3.22Å; R242-N246 WeakPolarHBondContact O-CB 3.44Å; R242-N246 PolarHBondContact O-N 3.1Å
243	A	93.1	Very high	94.3	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.008	38%	0.382	C	S	.	.	H	α-helix	trans	-67.5	-45.8	-163.3	0	0	0	0	0	111.9	T230 L233 V234 H240 G245 N246 L247	T230-A243 HydrophobicContact CG2-CB 4.34Å; T230-A243 VanDerWaalsContact CG2-O 3.3Å; T230-A243 WeakPolarHBondContact CG2-O 3.37Å; L233-A243 HydrophobicContact CD2-CB 3.6Å; L233-A243 HydrophobicContact CG-CB 3.75Å; V234-A243 HydrophobicContact CG2-CB 3.7Å; H240-A243 HydrophobicContact CB-CB 3.81Å; H240-A243 PolarHBondContact O-N 2.89Å; A243-G245 VanDerWaalsContact C-N 3.28Å; A243-G245 PolarHBondContact O-N 2.72Å; A243-N246 PolarHBondContact O-N 2.97Å; A243-L247 WeakPolarHBondContact O-CB 3.26Å; A243-L247 PolarHBondContact O-N 3.44Å
244	G	91.6	Very high	94.1	Very high	29 Å²	29	73.3 Å²	73.3	30%	0.299	39%	0.386	S	S	.	.	H	α-helix	trans	-64.5	-31.5	178	0	0	0	0	0	113.6	R242 R248	R242-G244 PolarHBondContact O-N 3.37Å; G244-R248 WeakPolarHBondContact O-CG 3.1Å
245	G	92.6	Very high	93.9	Very high	44 Å²	44	74.2 Å²	74.2	45%	0.454	39%	0.394	S	S	.	.	H	α-helix	trans	-72.8	-49.2	174.6	0	0	0	0	0	112.2	R242 A243 L247 R248 Y249	R242-G245 PolarHBondContact O-N 3.22Å; A243-G245 VanDerWaalsContact C-N 3.28Å; A243-G245 PolarHBondContact O-N 2.72Å; G245-L247 VanDerWaalsContact C-N 3.33Å; G245-L247 PolarHBondContact O-N 3.38Å; G245-R248 PolarHBondContact O-N 2.92Å; G245-Y249 WeakPolarHBondContact O-CB 3.3Å; G245-Y249 PolarHBondContact O-N 3.42Å
246	N	93.4	Very high	93.7	Very high	40 Å²	40	76.2 Å²	76.2	21%	0.214	39%	0.388	C	S	.	.	H	α-helix	trans	-58.9	-43.4	177.8	-73.3	-7	0	0	0	111.5	T230 R242 A243 R248 Y249 F250	T230-N246 HydrophobicContact CG2-CB 4.38Å; R242-N246 WeakPolarHBondContact O-CB 3.44Å; R242-N246 PolarHBondContact O-N 3.1Å; A243-N246 PolarHBondContact O-N 2.97Å; N246-R248 PolarHBondContact O-N 3.15Å; N246-Y249 WeakPolarHBondContact O-CB 3.23Å; N246-Y249 PolarHBondContact O-N 3.14Å; N246-Y249 VanDerWaalsContact O-N 3.14Å; N246-F250 HydrophobicContact CB-CD2 4.47Å; N246-F250 HydrophobicContact CB-CE2 3.96Å; N246-F250 HydrophobicContact CB-CZ 4.23Å; N246-F250 WeakPolarHBondContact O-CD2 3.31Å; N246-F250 VanDerWaalsContact O-CG 3.24Å; N246-F250 WeakPolarHBondContact O-CG 3.32Å; N246-F250 PolarHBondContact O-N 3.39Å
247	L	94.8	Very high	93.4	Very high	26 Å²	26	76.6 Å²	76.6	14%	0.136	39%	0.385	C	S	.	.	H	α-helix	trans	-57.8	-51.7	178.8	-178.3	57.4	0	0	0	112	I227 T230 R231 V234 A243 G245 Y249 F250 E251	I227-L247 HydrophobicContact CG2-CD1 3.83Å; T230-L247 HydrophobicContact CG2-CB 3.79Å; R231-L247 HydrophobicContact CG-CD1 3.86Å; R231-L247 HydrophobicContact CG-CD2 4.12Å; V234-L247 HydrophobicContact CG2-CD2 4.5Å; A243-L247 WeakPolarHBondContact O-CB 3.26Å; A243-L247 PolarHBondContact O-N 3.44Å; G245-L247 VanDerWaalsContact C-N 3.33Å; G245-L247 PolarHBondContact O-N 3.38Å; L247-Y249 VanDerWaalsContact C-N 3.25Å; L247-Y249 PolarHBondContact O-N 3.15Å; L247-F250 PolarHBondContact O-N 2.99Å; L247-E251 HydrophobicContact CD1-CG 4.22Å; L247-E251 WeakPolarHBondContact O-CB 3.43Å; L247-E251 WeakPolarHBondContact O-CG 3.37Å; L247-E251 PolarHBondContact O-N 3.31Å
248	R	94.8	Very high	93.2	Very high	187 Å²	187	76 Å²	76	71%	0.706	38%	0.381	S	S	*	.	H	α-helix	trans	-62.3	-36.4	177.8	-65.5	177.7	-149.9	174.5	5.6	111.7	G244 G245 N246 R252	G244-R248 WeakPolarHBondContact O-CG 3.1Å; G245-R248 PolarHBondContact O-N 2.92Å; N246-R248 PolarHBondContact O-N 3.15Å; R248-R252 VanDerWaalsContact O-CB 3.31Å; R248-R252 WeakPolarHBondContact O-CB 3.5Å; R248-R252 PolarHBondContact O-N 3.04Å; R248-R252 VanDerWaalsContact O-N 3.07Å
249	Y	94.9	Very high	93	Very high	97 Å²	97	76.8 Å²	76.8	38%	0.38	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-49.5	177.9	177.8	-98.9	0	0	0	111.4	G245 N246 L247 R252 L253	G245-Y249 WeakPolarHBondContact O-CB 3.3Å; G245-Y249 PolarHBondContact O-N 3.42Å; N246-Y249 WeakPolarHBondContact O-CB 3.23Å; N246-Y249 PolarHBondContact O-N 3.14Å; N246-Y249 VanDerWaalsContact O-N 3.14Å; L247-Y249 VanDerWaalsContact C-N 3.25Å; L247-Y249 PolarHBondContact O-N 3.15Å; Y249-R252 PolarHBondContact O-N 3.43Å; Y249-L253 WeakPolarHBondContact O-CB 3.4Å; Y249-L253 PolarHBondContact O-N 3.01Å
250	F	95.4	Very high	92.9	Very high	3 Å²	3	78.4 Å²	78.4	1%	0.013	38%	0.376	C	S	.	.	H	α-helix	trans	-64.2	-43.4	178.3	-60.3	-31.1	0	0	0	112.2	Y218 I223 A226 I227 N246 L247 R252 L253 L254	Y218-F250 AromaticContact CD1-CE1 3.73Å; Y218-F250 HydrophobicContact CD1-CE1 3.73Å; Y218-F250 HydrophobicContact CD1-CZ 4.19Å; Y218-F250 AromaticContact CD2-CD1 3.76Å; Y218-F250 HydrophobicContact CD2-CD1 3.76Å; Y218-F250 AromaticContact CD2-CE1 3.53Å; Y218-F250 HydrophobicContact CD2-CE1 3.53Å; Y218-F250 HydrophobicContact CD2-CZ 4.39Å; Y218-F250 HydrophobicContact CE1-CE1 4.17Å; Y218-F250 HydrophobicContact CE2-CD1 4.14Å; Y218-F250 HydrophobicContact CE2-CE1 4.01Å; Y218-F250 HydrophobicContact CG-CD1 4.08Å; Y218-F250 AromaticContact CG-CE1 3.38Å; Y218-F250 HydrophobicContact CG-CE1 3.38Å; Y218-F250 AromaticContact CG-CZ 3.87Å; Y218-F250 HydrophobicContact CG-CZ 3.87Å; I223-F250 HydrophobicContact CG2-CB 4.24Å; A226-F250 HydrophobicContact CB-CD2 4.24Å; A226-F250 HydrophobicContact CB-CE2 4.28Å; I227-F250 HydrophobicContact CD1-CB 4.24Å; I227-F250 HydrophobicContact CG1-CB 3.57Å; N246-F250 HydrophobicContact CB-CD2 4.47Å; N246-F250 HydrophobicContact CB-CE2 3.96Å; N246-F250 HydrophobicContact CB-CZ 4.23Å; N246-F250 WeakPolarHBondContact O-CD2 3.31Å; N246-F250 VanDerWaalsContact O-CG 3.24Å; N246-F250 WeakPolarHBondContact O-CG 3.32Å; N246-F250 PolarHBondContact O-N 3.39Å; L247-F250 PolarHBondContact O-N 2.99Å; F250-R252 VanDerWaalsContact C-N 3.33Å; F250-R252 PolarHBondContact O-N 3.18Å; F250-L253 PolarHBondContact O-N 3.04Å; F250-L254 WeakPolarHBondContact O-CB 3.37Å; F250-L254 PolarHBondContact O-N 3.44Å
251	E	94.2	Very high	92.6	Very high	65 Å²	65	81.2 Å²	81.2	30%	0.304	39%	0.39	S	S	.	.	H	α-helix	trans	-61.1	-41	176.5	-73.9	178.8	155.4	0	0	112.1	I227 R231 L247 S255	I227-E251 HydrophobicContact CD1-CG 4.01Å; I227-E251 HydrophobicContact CG1-CG 4.27Å; I227-E251 HydrophobicContact CG2-CG 4.21Å; R231-E251 IonicContact CZ-OE1 3.3Å; R231-E251 IonicContact NE-OE1 3.2Å; R231-E251 IonicContact NH2-OE1 3.63Å; R231-E251 PolarHBondContact NH2-OE1 2.81Å; L247-E251 HydrophobicContact CD1-CG 4.22Å; L247-E251 WeakPolarHBondContact O-CB 3.43Å; L247-E251 WeakPolarHBondContact O-CG 3.37Å; L247-E251 PolarHBondContact O-N 3.31Å; E251-S255 WeakPolarHBondContact O-CB 3.19Å; E251-S255 PolarHBondContact O-N 3.26Å; E251-S255 PolarHBondContact O-OG 3.13Å
252	R	94.7	Very high	92.3	Very high	174 Å²	174	79.4 Å²	79.4	66%	0.657	39%	0.387	S	S	*	.	H	α-helix	trans	-65.6	-41.9	174.9	-174.2	-179.2	69.6	178.9	0.8	111.7	R248 Y249 F250 S255 K256	R248-R252 VanDerWaalsContact O-CB 3.31Å; R248-R252 WeakPolarHBondContact O-CB 3.5Å; R248-R252 PolarHBondContact O-N 3.04Å; R248-R252 VanDerWaalsContact O-N 3.07Å; Y249-R252 PolarHBondContact O-N 3.43Å; F250-R252 VanDerWaalsContact C-N 3.33Å; F250-R252 PolarHBondContact O-N 3.18Å; R252-S255 PolarHBondContact O-N 3.47Å; R252-K256 WeakPolarHBondContact O-CB 3.17Å; R252-K256 PolarHBondContact O-N 3.17Å
253	L	93.3	Very high	91.9	Very high	51 Å²	51	79 Å²	79	27%	0.267	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-46.9	179.4	-170.1	72.6	0	0	0	111	Y218 I223 Y249 F250 S255 K256 Q257	Y218-L253 HydrophobicContact CD2-CD2 4.48Å; Y218-L253 HydrophobicContact CE2-CD2 3.55Å; I223-L253 HydrophobicContact CD1-CD2 3.64Å; I223-L253 HydrophobicContact CD1-CG 4.03Å; I223-L253 HydrophobicContact CG1-CD2 4.35Å; Y249-L253 WeakPolarHBondContact O-CB 3.4Å; Y249-L253 PolarHBondContact O-N 3.01Å; F250-L253 PolarHBondContact O-N 3.04Å; L253-S255 PolarHBondContact O-N 3.41Å; L253-K256 WeakPolarHBondContact O-CB 3.26Å; L253-K256 PolarHBondContact O-N 3.33Å; L253-Q257 PolarHBondContact O-N 3.37Å
254	L	92.3	Very high	91.5	Very high	16 Å²	16	82.7 Å²	82.7	8%	0.084	42%	0.421	C	S	.	.	H	α-helix	trans	-61.3	-45.4	177	-175.1	58.7	0	0	0	111.7	I223 P224 I227 F250 K256 Q257 L258 Y265	I223-L254 HydrophobicContact CB-CD1 4.46Å; I223-L254 HydrophobicContact CG2-CB 3.85Å; I223-L254 HydrophobicContact CG2-CD1 4.48Å; P224-L254 HydrophobicContact CG-CD1 4.33Å; P224-L254 HydrophobicContact CG-CD2 4.33Å; I227-L254 HydrophobicContact CD1-CB 4.18Å; I227-L254 HydrophobicContact CD1-CD2 3.69Å; F250-L254 WeakPolarHBondContact O-CB 3.37Å; F250-L254 PolarHBondContact O-N 3.44Å; L254-K256 VanDerWaalsContact C-N 3.27Å; L254-K256 PolarHBondContact O-N 3.34Å; L254-Q257 PolarHBondContact O-N 2.97Å; L254-L258 HydrophobicContact CD1-CD1 4.36Å; L254-L258 HydrophobicContact CD1-CG 4.26Å; L254-L258 HydrophobicContact CG-CD1 4.04Å; L254-L258 HydrophobicContact CG-CG 4.4Å; L254-L258 WeakPolarHBondContact O-CG 3.45Å; L254-L258 PolarHBondContact O-N 2.98Å; L254-Y265 HydrophobicContact CD2-CD2 3.77Å; L254-Y265 HydrophobicContact CD2-CE2 3.56Å
255	S	92.1	Very high	91.2	Very high	66 Å²	66	86.9 Å²	86.9	46%	0.462	43%	0.428	S	S	.	.	H	α-helix	trans	-59.1	-40.4	177.5	-59	0	0	0	0	111.9	E251 R252 L253 N259	E251-S255 WeakPolarHBondContact O-CB 3.19Å; E251-S255 PolarHBondContact O-N 3.26Å; E251-S255 PolarHBondContact O-OG 3.13Å; R252-S255 PolarHBondContact O-N 3.47Å; L253-S255 PolarHBondContact O-N 3.41Å; S255-N259 WeakPolarHBondContact O-CB 3.37Å; S255-N259 PolarHBondContact O-N 3.21Å; S255-N259 PolarHBondContact O-ND2 2.94Å
256	K	91.9	Very high	90.7	Very high	122 Å²	122	91.2 Å²	91.2	53%	0.53	44%	0.437	S	S	.	.	H	α-helix	trans	-64.6	-46.8	175.9	-176.8	-179.5	169.9	-174.9	0	111.4	R252 L253 L254 N259 E260	R252-K256 WeakPolarHBondContact O-CB 3.17Å; R252-K256 PolarHBondContact O-N 3.17Å; L253-K256 WeakPolarHBondContact O-CB 3.26Å; L253-K256 PolarHBondContact O-N 3.33Å; L254-K256 VanDerWaalsContact C-N 3.27Å; L254-K256 PolarHBondContact O-N 3.34Å; K256-N259 PolarHBondContact O-N 2.9Å; K256-E260 WeakPolarHBondContact CE-OE1 3.35Å; K256-E260 IonicContact NZ-OE1 3.77Å; K256-E260 WeakPolarHBondContact O-CG 3.4Å; K256-E260 PolarHBondContact O-N 3.35Å
257	Q	90	Very high	90.1	Very high	83 Å²	83	93.6 Å²	93.6	39%	0.388	45%	0.454	S	S	.	.	H	α-helix	trans	-62.2	-44.4	179.7	-174.8	178.8	6.3	0	0	112.3	L253 L254 N259 E260 M261	L253-Q257 PolarHBondContact O-N 3.37Å; L254-Q257 PolarHBondContact O-N 2.97Å; Q257-N259 VanDerWaalsContact C-N 3.32Å; Q257-N259 PolarHBondContact O-N 3.38Å; Q257-E260 PolarHBondContact O-N 2.72Å; Q257-M261 HydrophobicContact CG-CG 4.48Å; Q257-M261 HydrophobicContact CG-SD 3.74Å; Q257-M261 WeakPolarHBondContact O-CB 3.47Å; Q257-M261 WeakPolarHBondContact O-CG 3.3Å; Q257-M261 PolarHBondContact O-N 3.13Å
258	L	90.5	Very high	89.6	Confident	31 Å²	31	93.1 Å²	93.1	16%	0.162	45%	0.454	C	S	.	.	H	α-helix	trans	-60.8	-41.7	177.4	-70.5	172.1	0	0	0	111.9	L254 N262 Q263 Y265	L254-L258 HydrophobicContact CD1-CD1 4.36Å; L254-L258 HydrophobicContact CD1-CG 4.26Å; L254-L258 HydrophobicContact CG-CD1 4.04Å; L254-L258 HydrophobicContact CG-CG 4.4Å; L254-L258 WeakPolarHBondContact O-CG 3.45Å; L254-L258 PolarHBondContact O-N 2.98Å; L258-N262 WeakPolarHBondContact O-CA 3.42Å; L258-N262 PolarHBondContact O-N 3.19Å; L258-Q263 HydrophobicContact CD2-CB 4.06Å; L258-Q263 WeakPolarHBondContact CD2-O 3.34Å; L258-Q263 PolarHBondContact O-N 2.98Å; L258-Y265 HydrophobicContact CD1-CD2 4.18Å
259	N	90.6	Very high	89.1	Confident	124 Å²	124	86.9 Å²	86.9	66%	0.663	44%	0.439	S	S	*	.	H	α-helix	trans	-66.4	-42.4	176.6	-71.5	-20.4	0	0	0	112.2	S255 K256 Q257 M261	S255-N259 WeakPolarHBondContact O-CB 3.37Å; S255-N259 PolarHBondContact O-N 3.21Å; S255-N259 PolarHBondContact O-ND2 2.94Å; K256-N259 PolarHBondContact O-N 2.9Å; Q257-N259 VanDerWaalsContact C-N 3.32Å; Q257-N259 PolarHBondContact O-N 3.38Å; N259-M261 VanDerWaalsContact C-N 3.34Å
260	E	91.3	Very high	88.5	Confident	137 Å²	137	91.3 Å²	91.3	64%	0.64	46%	0.463	S	S	*	.	H	α-helix	trans	-67.6	-34.2	179	-74.2	175.2	173.2	0	0	112.3	K256 Q257	K256-E260 WeakPolarHBondContact CE-OE1 3.35Å; K256-E260 IonicContact NZ-OE1 3.77Å; K256-E260 WeakPolarHBondContact O-CG 3.4Å; K256-E260 PolarHBondContact O-N 3.35Å; Q257-E260 PolarHBondContact O-N 2.72Å
261	M	87.6	Confident	88	Confident	96 Å²	96	98.1 Å²	98.1	47%	0.473	50%	0.495	S	S	.	.	H	α-helix	trans	-92.4	-4.1	-178.6	-63.8	-179.4	68.9	0	0	114	Q257 N259 Q263	Q257-M261 HydrophobicContact CG-CG 4.48Å; Q257-M261 HydrophobicContact CG-SD 3.74Å; Q257-M261 WeakPolarHBondContact O-CB 3.47Å; Q257-M261 WeakPolarHBondContact O-CG 3.3Å; Q257-M261 PolarHBondContact O-N 3.13Å; N259-M261 VanDerWaalsContact C-N 3.34Å; M261-Q263 HydrophobicContact CB-CB 4.38Å; M261-Q263 HydrophobicContact CB-CG 4Å; M261-Q263 PolarHBondContact O-N 3.2Å
262	N	86.3	Confident	87.5	Confident	155 Å²	155	98.8 Å²	98.8	83%	0.829	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	42.2	-170	-73.7	-34.3	0	0	0	112.9	L258	L258-N262 WeakPolarHBondContact O-CA 3.42Å; L258-N262 PolarHBondContact O-N 3.19Å
263	Q	85.3	Confident	87.2	Confident	113 Å²	113	91 Å²	91	53%	0.528	48%	0.476	S	S	.	.			trans	-106.7	147.5	-179.3	-75.6	-178	-11.5	0	0	111.5	L258 M261	L258-Q263 HydrophobicContact CD2-CB 4.06Å; L258-Q263 WeakPolarHBondContact CD2-O 3.34Å; L258-Q263 PolarHBondContact O-N 2.98Å; M261-Q263 HydrophobicContact CB-CB 4.38Å; M261-Q263 HydrophobicContact CB-CG 4Å; M261-Q263 PolarHBondContact O-N 3.2Å
264	A	84.2	Confident	86.9	Confident	78 Å²	78	93.7 Å²	93.7	65%	0.645	49%	0.487	S	S	*	.			trans	-77.5	147.4	170.4	0	0	0	0	0	110.4	Q266	A264-Q266 PolarHBondContact O-N 3.1Å
265	Y	84.6	Confident	86.6	Confident	116 Å²	116	95.3 Å²	95.3	46%	0.455	50%	0.496	S	S	.	.			trans	-58.1	130.2	174.3	173.2	-100.8	0	0	0	110.8	L254 L258 P267	L254-Y265 HydrophobicContact CD2-CD2 3.77Å; L254-Y265 HydrophobicContact CD2-CE2 3.56Å; L258-Y265 HydrophobicContact CD1-CD2 4.18Å; Y265-P267 HydrophobicContact CE1-CB 4.34Å
266	Q	82.1	Confident	86.3	Confident	136 Å²	136	95 Å²	95	64%	0.636	50%	0.504	S	S	*	.			trans	-108.6	133.1	168.7	-66.3	-64.5	-29.8	0	0	108.4	A264	A264-Q266 PolarHBondContact O-N 3.1Å
267	P	81.9	Confident	86.1	Confident	89 Å²	89	91.9 Å²	91.9	58%	0.578	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-65	158.7	175	29.7	-33.8	0	0	0	110.6	Y265	Y265-P267 HydrophobicContact CE1-CB 4.34Å
268	A	83.9	Confident	86.2	Confident	16 Å²	16	89.3 Å²	89.3	13%	0.132	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-59.7	145.3	170.6	0	0	0	0	0	110.2	P224 R225 E228 E270	P224-A268 HydrophobicContact CB-CB 4.13Å; R225-A268 HydrophobicContact CB-CB 4.17Å; E228-A268 HydrophobicContact CB-CB 4.31Å; E228-A268 VanDerWaalsContact OE2-CB 3.22Å; E228-A268 WeakPolarHBondContact OE2-CB 3.4Å; A268-E270 PolarHBondContact O-N 3.44Å
269	S	84.6	Confident	86.1	Confident	57 Å²	57	94 Å²	94	40%	0.399	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-71.2	130.3	173.2	169.5	0	0	0	0	110	R225 E271	R225-S269 PolarHBondContact NE-O 2.71Å; R225-S269 VanDerWaalsContact NH2-CB 3.35Å; R225-S269 PolarHBondContact NH2-O 3.32Å; S269-E271 PolarHBondContact O-N 2.76Å; S269-E271 WeakPolarHBondContact OG-CB 3.43Å; S269-E271 PolarHBondContact OG-N 2.8Å
270	E	81.4	Confident	85.9	Confident	189 Å²	189	91.8 Å²	91.8	88%	0.883	50%	0.495	S	S	*	.			trans	-71.5	-11.9	174.5	-63.1	-175.9	176.7	0	0	112.6	A268	A268-E270 PolarHBondContact O-N 3.44Å
271	E	84.7	Confident	85.6	Confident	147 Å²	147	89.2 Å²	89.2	69%	0.687	49%	0.489	S	S	*	.	S	Bend	trans	-65.7	134.7	178.7	-65.9	-175.3	163.2	0	0	110.8	R225 S269	R225-E271 PolarHBondContact NH2-O 3.41Å; S269-E271 PolarHBondContact O-N 2.76Å; S269-E271 WeakPolarHBondContact OG-CB 3.43Å; S269-E271 PolarHBondContact OG-N 2.8Å
272	P	84.7	Confident	85.3	Confident	78 Å²	78	94.7 Å²	94.7	51%	0.506	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-57.3	144.9	176.7	-23.7	32.9	0	0	0	111.8	Q274	P272-Q274 HydrophobicContact CB-CG 4.49Å; P272-Q274 PolarHBondContact O-N 3.06Å
273	I	87.8	Confident	85	Confident	11 Å²	11	89.7 Å²	89.7	6%	0.056	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-70.1	118.7	172.2	-52.8	169	0	0	0	108.6	V186 L187 Q190 L213 V217 T277 Y278	V186-I273 HydrophobicContact CG1-CB 4.3Å; V186-I273 HydrophobicContact CG1-CD1 3.5Å; V186-I273 HydrophobicContact CG1-CG1 4.44Å; V186-I273 HydrophobicContact CG1-CG2 3.62Å; L187-I273 HydrophobicContact CD2-CG2 4.38Å; Q190-I273 HydrophobicContact CB-CB 4.43Å; Q190-I273 HydrophobicContact CG-CB 4.07Å; L213-I273 HydrophobicContact CD1-CD1 4.46Å; V217-I273 HydrophobicContact CG2-CD1 3.71Å; I273-T277 HydrophobicContact CG2-CG2 4.15Å; I273-Y278 HydrophobicContact CD1-CE2 4.37Å; I273-Y278 HydrophobicContact CG2-CD2 4.33Å; I273-Y278 HydrophobicContact CG2-CE2 3.78Å
274	Q	87.6	Confident	84.8	Confident	107 Å²	107	90.8 Å²	90.8	50%	0.5	49%	0.489	S	S	.	.			trans	-128.1	171.2	178.8	-66	179.6	-1.9	0	0	110.7	P272 G276 T277	P272-Q274 HydrophobicContact CB-CG 4.49Å; P272-Q274 PolarHBondContact O-N 3.06Å; Q274-G276 PolarHBondContact O-N 2.93Å; Q274-T277 PolarHBondContact N-OG1 3.31Å; Q274-T277 VanDerWaalsContact O-CB 3.24Å; Q274-T277 WeakPolarHBondContact O-CB 3.44Å; Q274-T277 PolarHBondContact O-N 3.39Å; Q274-T277 PolarHBondContact O-OG1 2.86Å
275	L	86	Confident	84.7	Confident	50 Å²	50	88 Å²	88	26%	0.262	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	129	172	-167.7	75.1	0	0	0	110.2	Q144 Y183 L187	Q144-L275 HydrophobicContact CB-CD2 3.89Å; Y183-L275 VanDerWaalsContact OH-CD1 3.26Å; Y183-L275 WeakPolarHBondContact OH-CD1 3.26Å; L187-L275 HydrophobicContact CD1-CD1 3.96Å
276	G	84.7	Confident	84.6	Confident	61 Å²	61	88.3 Å²	88.3	63%	0.629	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-3.8	-176.8	0	0	0	0	0	116	Q274 Y278	Q274-G276 PolarHBondContact O-N 2.93Å; G276-Y278 VanDerWaalsContact C-N 3.29Å; G276-Y278 PolarHBondContact O-N 2.99Å
277	T	88.5	Confident	84.8	Confident	56 Å²	56	83.2 Å²	83.2	34%	0.344	46%	0.455	S	S	.	.	S	Bend	trans	-62.1	-38.5	173.6	-58.2	0	0	0	0	111.8	I273 Q274	I273-T277 HydrophobicContact CG2-CG2 4.15Å; Q274-T277 PolarHBondContact N-OG1 3.31Å; Q274-T277 VanDerWaalsContact O-CB 3.24Å; Q274-T277 WeakPolarHBondContact O-CB 3.44Å; Q274-T277 PolarHBondContact O-N 3.39Å; Q274-T277 PolarHBondContact O-OG1 2.86Å
278	Y	91.4	Very high	85.1	Confident	28 Å²	28	79.7 Å²	79.7	11%	0.11	43%	0.43	C	S	.	.	S	Bend	trans	-117.3	150.1	174.6	-55.2	-59.1	0	0	0	110.2	Y183 V186 M220 D222 R225 I273 G276	Y183-Y278 WeakPolarHBondContact CE2-O 3.26Å; V186-Y278 HydrophobicContact CG1-CD2 4.5Å; V186-Y278 HydrophobicContact CG1-CE2 3.9Å; M220-Y278 HydrophobicContact CB-CD1 4.28Å; M220-Y278 HydrophobicContact CB-CD2 4.24Å; M220-Y278 HydrophobicContact CB-CE2 4.47Å; M220-Y278 HydrophobicContact CB-CG 4.14Å; M220-Y278 HydrophobicContact CE-CG 4.17Å; M220-Y278 HydrophobicContact CG-CD2 4.23Å; M220-Y278 HydrophobicContact CG-CG 4.45Å; D222-Y278 HydrophobicContact CB-CE1 3.69Å; D222-Y278 PolarHBondContact OD2-OH 3.15Å; D222-Y278 VanDerWaalsContact OD2-OH 3.1Å; R225-Y278 PolarHBondContact NH1-OH 3.28Å; I273-Y278 HydrophobicContact CD1-CE2 4.37Å; I273-Y278 HydrophobicContact CG2-CD2 4.33Å; I273-Y278 HydrophobicContact CG2-CE2 3.78Å; G276-Y278 VanDerWaalsContact C-N 3.29Å; G276-Y278 PolarHBondContact O-N 2.99Å
279	T	88.1	Confident	85.4	Confident	131 Å²	131	86.7 Å²	86.7	80%	0.804	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-74.7	128.8	172.6	-46.2	0	0	0	0	109.5
280	R	86.3	Confident	85.7	Confident	77 Å²	77	86.4 Å²	86.4	29%	0.291	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-58.3	137.7	172	-172.3	175.1	173	-147.3	-9.7	109.9	D141 Y183 D283 E292	D141-R280 IonicContact OD2-CZ 3.61Å; D141-R280 IonicContact OD2-NE 3.1Å; D141-R280 PolarHBondContact OD2-NE 3.36Å; D141-R280 IonicContact OD2-NH1 2.75Å; D141-R280 IonicContact OD2-NH2 2.7Å; Y183-R280 HydrophobicContact CD1-CG 4.32Å; Y183-R280 HydrophobicContact CD2-CB 4.46Å; Y183-R280 HydrophobicContact CE1-CG 4.44Å; Y183-R280 HydrophobicContact CE2-CB 4.35Å; R280-D283 IonicContact CZ-OD2 2.9Å; R280-D283 IonicContact NH2-OD2 2.79Å; R280-D283 PolarHBondContact NH2-OD2 2.91Å; R280-E292 IonicContact NH1-OE1 3.68Å; R280-E292 PolarHBondContact NH1-OE1 2.82Å; R280-E292 IonicContact NH1-OE2 3.79Å
281	P	85	Confident	86.3	Confident	82 Å²	82	77.4 Å²	77.4	53%	0.532	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-54.5	151.2	172.5	-25.7	34.7	0	0	0	111.9	D283	P281-D283 PolarHBondContact O-N 3.16Å
282	K	81.2	Confident	86.7	Confident	212 Å²	212	71.5 Å²	71.5	92%	0.922	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-61	122.8	178.3	-71.6	-172.6	176.8	-176	0	110.5
283	D	80.6	Confident	87.1	Confident	49 Å²	49	68.7 Å²	68.7	26%	0.262	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-74.9	160.1	175.9	-163.5	-76.6	0	0	0	111	R280 P281 L285 R288	R280-D283 IonicContact CZ-OD2 2.9Å; R280-D283 IonicContact NH2-OD2 2.79Å; R280-D283 PolarHBondContact NH2-OD2 2.91Å; P281-D283 PolarHBondContact O-N 3.16Å; D283-L285 PolarHBondContact O-N 3.13Å; D283-L285 WeakPolarHBondContact OD1-CB 3.23Å; D283-L285 PolarHBondContact OD1-N 2.99Å; D283-R288 HydrophobicContact CB-CB 4.24Å; D283-R288 HydrophobicContact CB-CG 4.27Å; D283-R288 WeakPolarHBondContact OD2-CD 3.14Å
284	H	81.6	Confident	87.4	Confident	136 Å²	136	68.4 Å²	68.4	63%	0.63	37%	0.371	S	S	*	.	S	Bend	trans	-70.8	-19.9	174.5	62.5	-80.1	0	0	0	112.3	P286 E429	H284-P286 WeakPolarHBondContact O-CD 2.89Å; H284-E429 IonicContact CE1-OE2 2.6Å; H284-E429 IonicContact NE2-OE2 3.74Å; H284-E429 PolarHBondContact NE2-OE2 2.94Å
285	L	82.1	Confident	87.8	Confident	19 Å²	19	63.3 Å²	63.3	10%	0.099	35%	0.347	C	S	.	.			trans	-92.5	112.8	175.8	-70.3	169.8	0	0	0	111.2	D283 E287 R288 E429	D283-L285 PolarHBondContact O-N 3.13Å; D283-L285 WeakPolarHBondContact OD1-CB 3.23Å; D283-L285 PolarHBondContact OD1-N 2.99Å; L285-E287 PolarHBondContact O-N 3.08Å; L285-R288 HydrophobicContact CB-CB 4.33Å; L285-R288 WeakPolarHBondContact O-CB 3.2Å; L285-R288 PolarHBondContact O-N 3.48Å; L285-E429 HydrophobicContact CD1-CB 4.07Å; L285-E429 VanDerWaalsContact CD1-CD 3.48Å; L285-E429 HydrophobicContact CD1-CG 4.04Å; L285-E429 WeakPolarHBondContact CD1-OE2 2.97Å
286	P	82.9	Confident	88.1	Confident	123 Å²	123	63.7 Å²	63.7	80%	0.799	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-27.1	178.7	24.3	-30.3	0	0	0	112.6	H284 R288	H284-P286 WeakPolarHBondContact O-CD 2.89Å; P286-R288 VanDerWaalsContact C-N 3.34Å
287	E	85.3	Confident	88.3	Confident	29 Å²	29	62.4 Å²	62.4	14%	0.136	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	15	177.7	69.5	-88.2	-157.5	0	0	114.3	L285 E289 S290 Y291 P430 P471 R501	L285-E287 PolarHBondContact O-N 3.08Å; E287-E289 PolarHBondContact O-N 2.96Å; E287-S290 PolarHBondContact O-N 3.44Å; E287-S290 PolarHBondContact O-OG 3.09Å; E287-Y291 WeakPolarHBondContact O-CB 3.43Å; E287-Y291 PolarHBondContact O-N 3.46Å; E287-P430 HydrophobicContact CG-CB 4.22Å; E287-P430 HydrophobicContact CG-CG 4.09Å; E287-P430 WeakPolarHBondContact OE1-CB 3.22Å; E287-P471 HydrophobicContact CG-CB 4.46Å; E287-R501 IonicContact OE1-CZ 3.45Å; E287-R501 IonicContact OE1-NE 2.73Å; E287-R501 PolarHBondContact OE1-NE 3.47Å; E287-R501 IonicContact OE1-NH2 3.6Å; E287-R501 PolarHBondContact OE1-NH2 3.41Å
288	R	89.7	Confident	88.4	Confident	15 Å²	15	65 Å²	65	6%	0.057	34%	0.34	C	S	.	.	H	α-helix	trans	-56.1	-48.1	-175.6	-177.1	90.7	-58.8	170	-0.7	112.6	D283 L285 P286 S290 Y291 E292 E429	D283-R288 HydrophobicContact CB-CB 4.24Å; D283-R288 HydrophobicContact CB-CG 4.27Å; D283-R288 WeakPolarHBondContact OD2-CD 3.14Å; L285-R288 HydrophobicContact CB-CB 4.33Å; L285-R288 WeakPolarHBondContact O-CB 3.2Å; L285-R288 PolarHBondContact O-N 3.48Å; P286-R288 VanDerWaalsContact C-N 3.34Å; R288-S290 PolarHBondContact O-N 3.27Å; R288-Y291 WeakPolarHBondContact O-CB 3.49Å; R288-Y291 PolarHBondContact O-N 3.09Å; R288-E292 WeakPolarHBondContact CD-OE1 3.41Å; R288-E292 HydrophobicContact CG-CG 4.41Å; R288-E292 VanDerWaalsContact CG-OE1 3.31Å; R288-E292 WeakPolarHBondContact CG-OE1 3.25Å; R288-E292 IonicContact NE-OE1 2.93Å; R288-E292 WeakPolarHBondContact O-CG 3.2Å; R288-E292 PolarHBondContact O-N 3.27Å; R288-E429 IonicContact CZ-OE1 3.32Å; R288-E429 IonicContact NH1-OE1 3.94Å; R288-E429 PolarHBondContact NH1-OE1 3.25Å; R288-E429 IonicContact NH2-OE1 3.46Å
289	E	89.3	Confident	87.7	Confident	164 Å²	164	64.5 Å²	64.5	77%	0.766	34%	0.343	S	S	*	.	H	α-helix	trans	-63.4	-44	-176.5	-66.2	179.1	179.9	0	0	112.3	E287 E292 A293	E287-E289 PolarHBondContact O-N 2.96Å; E289-E292 PolarHBondContact O-N 3.1Å; E289-A293 VanDerWaalsContact O-CB 3.27Å; E289-A293 WeakPolarHBondContact O-CB 3.48Å; E289-A293 PolarHBondContact O-N 3.38Å
290	S	91.1	Very high	87.1	Confident	51 Å²	51	63.5 Å²	63.5	36%	0.357	33%	0.332	S	S	.	.	H	α-helix	trans	-68.4	-38	177.8	59.4	0	0	0	0	111.7	E287 R288 L294	E287-S290 PolarHBondContact O-N 3.44Å; E287-S290 PolarHBondContact O-OG 3.09Å; R288-S290 PolarHBondContact O-N 3.27Å; S290-L294 VanDerWaalsContact O-CG 3.27Å; S290-L294 WeakPolarHBondContact O-CG 3.44Å; S290-L294 PolarHBondContact O-N 3.29Å
291	Y	93.3	Very high	86.7	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-51	172.4	157.2	-106	0	0	0	112.1	E287 R288 L294 C295 Q427 P430 V469 A503 P506	E287-Y291 WeakPolarHBondContact O-CB 3.43Å; E287-Y291 PolarHBondContact O-N 3.46Å; R288-Y291 WeakPolarHBondContact O-CB 3.49Å; R288-Y291 PolarHBondContact O-N 3.09Å; Y291-L294 PolarHBondContact O-N 3.21Å; Y291-C295 VanDerWaalsContact CE2-SG 3.6Å; Y291-C295 PolarHBondContact O-N 3.01Å; Y291-C295 VanDerWaalsContact O-N 3.12Å; Y291-C295 PolarHBondContact O-SG 3.19Å; Y291-Q427 PolarHBondContact OH-OE1 3.5Å; Y291-P430 HydrophobicContact CD2-CG 4.13Å; Y291-P430 HydrophobicContact CG-CG 4.14Å; Y291-V469 HydrophobicContact CD2-CG2 3.76Å; Y291-V469 HydrophobicContact CE2-CG2 4.09Å; Y291-A503 HydrophobicContact CD2-CB 3.64Å; Y291-A503 HydrophobicContact CE2-CB 3.48Å; Y291-A503 VanDerWaalsContact CE2-CB 3.48Å; Y291-P506 WeakPolarHBondContact OH-CD 3.47Å
292	E	94.1	Very high	86.6	Confident	22 Å²	22	63.1 Å²	63.1	10%	0.103	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-39.3	-178.9	-69.4	172.6	-179.4	0	0	111.2	T142 R280 R288 E289 L294 C295 R296	T142-E292 HydrophobicContact CG2-CB 4.39Å; T142-E292 HydrophobicContact CG2-CG 4.27Å; R280-E292 IonicContact NH1-OE1 3.68Å; R280-E292 PolarHBondContact NH1-OE1 2.82Å; R280-E292 IonicContact NH1-OE2 3.79Å; R288-E292 WeakPolarHBondContact CD-OE1 3.41Å; R288-E292 HydrophobicContact CG-CG 4.41Å; R288-E292 VanDerWaalsContact CG-OE1 3.31Å; R288-E292 WeakPolarHBondContact CG-OE1 3.25Å; R288-E292 IonicContact NE-OE1 2.93Å; R288-E292 WeakPolarHBondContact O-CG 3.2Å; R288-E292 PolarHBondContact O-N 3.27Å; E289-E292 PolarHBondContact O-N 3.1Å; E292-L294 VanDerWaalsContact C-N 3.32Å; E292-L294 PolarHBondContact O-N 2.6Å; E292-C295 WeakPolarHBondContact O-CB 3.46Å; E292-C295 PolarHBondContact O-N 2.99Å; E292-C295 VanDerWaalsContact O-N 3.11Å; E292-R296 VanDerWaalsContact C-NH1 3.33Å; E292-R296 PolarHBondContact O-N 3.37Å; E292-R296 VanDerWaalsContact O-N 3.11Å; E292-R296 PolarHBondContact O-NH1 2.91Å
293	A	93.3	Very high	86.9	Confident	19 Å²	19	57.1 Å²	57.1	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-43.3	173.2	0	0	0	0	0	112.3	E289 C295 R296 G297 E298	E289-A293 VanDerWaalsContact O-CB 3.27Å; E289-A293 WeakPolarHBondContact O-CB 3.48Å; E289-A293 PolarHBondContact O-N 3.38Å; A293-C295 VanDerWaalsContact C-N 3.3Å; A293-C295 PolarHBondContact O-N 3.42Å; A293-R296 VanDerWaalsContact CA-NH2 3.27Å; A293-R296 PolarHBondContact O-N 3.12Å; A293-R296 VanDerWaalsContact O-N 3.11Å; A293-G297 PolarHBondContact O-N 3.1Å; A293-E298 HydrophobicContact CB-CB 4.12Å; A293-E298 WeakPolarHBondContact O-CB 3.46Å; A293-E298 PolarHBondContact O-N 3.31Å
294	L	94.3	Very high	87.3	Confident	5 Å²	5	63 Å²	63	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-37.5	175.3	-73	166.5	0	0	0	112.6	S290 Y291 E292 R296 G297 V469 P471 G474	S290-L294 VanDerWaalsContact O-CG 3.27Å; S290-L294 WeakPolarHBondContact O-CG 3.44Å; S290-L294 PolarHBondContact O-N 3.29Å; Y291-L294 PolarHBondContact O-N 3.21Å; E292-L294 VanDerWaalsContact C-N 3.32Å; E292-L294 PolarHBondContact O-N 2.6Å; L294-R296 PolarHBondContact O-N 3.45Å; L294-G297 PolarHBondContact O-N 3.42Å; L294-V469 HydrophobicContact CB-CB 3.85Å; L294-V469 HydrophobicContact CB-CG1 3.74Å; L294-V469 HydrophobicContact CB-CG2 4.35Å; L294-V469 HydrophobicContact CD1-CB 4.17Å; L294-P471 VanDerWaalsContact CD1-CA 3.48Å; L294-P471 HydrophobicContact CD1-CB 4.36Å; L294-P471 HydrophobicContact CD1-CG 4.46Å; L294-G474 WeakPolarHBondContact CD2-O 3.49Å
295	C	94.6	Very high	87.7	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-29.6	175.1	-61.6	0	0	0	0	112.7	T142 Y143 Y291 E292 A293 G297 C505	T142-C295 HydrophobicContact CG2-CB 3.51Å; Y143-C295 HydrophobicContact CE1-CB 4.26Å; Y143-C295 WeakPolarHBondContact CE1-O 3.48Å; Y291-C295 VanDerWaalsContact CE2-SG 3.6Å; Y291-C295 PolarHBondContact O-N 3.01Å; Y291-C295 VanDerWaalsContact O-N 3.12Å; Y291-C295 PolarHBondContact O-SG 3.19Å; E292-C295 WeakPolarHBondContact O-CB 3.46Å; E292-C295 PolarHBondContact O-N 2.99Å; E292-C295 VanDerWaalsContact O-N 3.11Å; A293-C295 VanDerWaalsContact C-N 3.3Å; A293-C295 PolarHBondContact O-N 3.42Å; C295-G297 VanDerWaalsContact C-N 3.27Å; C295-G297 PolarHBondContact O-N 2.92Å; C295-C505 WeakPolarHBondContact CA-SG 3.48Å; C295-C505 HydrophobicContact CB-CB 3.71Å; C295-C505 WeakPolarHBondContact CB-SG 3.39Å; C295-C505 VanDerWaalsContact SG-CA 3.55Å; C295-C505 WeakPolarHBondContact SG-CB 3.25Å; C295-C505 CovalentContact SG-SG 2.03Å; C295-C505 PolarHBondContact SG-SG 3.37Å
296	R	92.8	Very high	88.1	Confident	58 Å²	58	61.8 Å²	61.8	22%	0.219	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.4	172.6	-63.7	-172.5	-58.7	-86.5	-0.1	114	T142 Y143 Q144 E292 A293 L294 E298	T142-R296 WeakPolarHBondContact O-CD 3.49Å; T142-R296 WeakPolarHBondContact O-CG 3.42Å; T142-R296 PolarHBondContact O-NH1 2.92Å; Y143-R296 HydrophobicContact CD1-CG 4.22Å; Q144-R296 VanDerWaalsContact NE2-CZ 3.33Å; E292-R296 VanDerWaalsContact C-NH1 3.33Å; E292-R296 PolarHBondContact O-N 3.37Å; E292-R296 VanDerWaalsContact O-N 3.11Å; E292-R296 PolarHBondContact O-NH1 2.91Å; A293-R296 VanDerWaalsContact CA-NH2 3.27Å; A293-R296 PolarHBondContact O-N 3.12Å; A293-R296 VanDerWaalsContact O-N 3.11Å; L294-R296 PolarHBondContact O-N 3.45Å; R296-E298 VanDerWaalsContact C-N 3.32Å; R296-E298 HydrophobicContact CB-CG 4.05Å; R296-E298 IonicContact CZ-OE1 3.1Å; R296-E298 IonicContact CZ-OE2 3.22Å; R296-E298 VanDerWaalsContact NE-CD 3.29Å; R296-E298 IonicContact NE-OE1 2.72Å; R296-E298 PolarHBondContact NE-OE1 3.09Å; R296-E298 IonicContact NE-OE2 3.34Å; R296-E298 PolarHBondContact NE-OE2 3.01Å; R296-E298 IonicContact NH2-OE1 3.99Å; R296-E298 IonicContact NH2-OE2 3.84Å; R296-E298 PolarHBondContact NH2-OE2 3.11Å
297	G	89.4	Confident	88.3	Confident	34 Å²	34	61.9 Å²	61.9	35%	0.351	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	11.3	-175.1	0	0	0	0	0	114.1	A293 L294 C295 G299	A293-G297 PolarHBondContact O-N 3.1Å; L294-G297 PolarHBondContact O-N 3.42Å; C295-G297 VanDerWaalsContact C-N 3.27Å; C295-G297 PolarHBondContact O-N 2.92Å; G297-G299 PolarHBondContact O-N 3.42Å; G297-G299 VanDerWaalsContact O-N 3.13Å
298	E	88.9	Confident	88.6	Confident	110 Å²	110	64.3 Å²	64.3	51%	0.514	34%	0.341	S	S	.	.			trans	-82.2	23.8	178.1	-59.3	164.9	-166.7	0	0	112.4	A293 R296	A293-E298 HydrophobicContact CB-CB 4.12Å; A293-E298 WeakPolarHBondContact O-CB 3.46Å; A293-E298 PolarHBondContact O-N 3.31Å; R296-E298 VanDerWaalsContact C-N 3.32Å; R296-E298 HydrophobicContact CB-CG 4.05Å; R296-E298 IonicContact CZ-OE1 3.1Å; R296-E298 IonicContact CZ-OE2 3.22Å; R296-E298 VanDerWaalsContact NE-CD 3.29Å; R296-E298 IonicContact NE-OE1 2.72Å; R296-E298 PolarHBondContact NE-OE1 3.09Å; R296-E298 IonicContact NE-OE2 3.34Å; R296-E298 PolarHBondContact NE-OE2 3.01Å; R296-E298 IonicContact NH2-OE1 3.99Å; R296-E298 IonicContact NH2-OE2 3.84Å; R296-E298 PolarHBondContact NH2-OE2 3.11Å
299	G	77.1	Confident	88.5	Confident	17 Å²	17	71.2 Å²	71.2	18%	0.175	37%	0.367	C	S	.	.			trans	-68.1	172.7	-176.1	0	0	0	0	0	115.1	G297 Q301	G297-G299 PolarHBondContact O-N 3.42Å; G297-G299 VanDerWaalsContact O-N 3.13Å; G299-Q301 PolarHBondContact O-N 3.42Å
300	L	76.7	Confident	88.7	Confident	111 Å²	111	65.7 Å²	65.7	58%	0.581	34%	0.342	S	S	*	.			trans	-62.2	109.7	174.5	-80.3	166.7	0	0	0	109.4	M302 F473 G474	L300-M302 PolarHBondContact O-N 3.24Å; L300-F473 WeakPolarHBondContact CD1-O 3.46Å; L300-G474 PolarHBondContact N-O 2.72Å; L300-G474 VanDerWaalsContact N-O 3.17Å
301	Q	77.5	Confident	88.9	Confident	136 Å²	136	69 Å²	69	64%	0.636	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-69.1	119.4	171.2	-65.4	-64.9	-42.5	0	0	108.5	G299 T303	G299-Q301 PolarHBondContact O-N 3.42Å; Q301-T303 PolarHBondContact O-N 3.18Å
302	M	83.1	Confident	89	Confident	14 Å²	14	73.4 Å²	73.4	7%	0.069	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-55.2	137.5	173.1	-76	-159.3	179.7	0	0	110.8	L300 R306 R307 L310 W334	L300-M302 PolarHBondContact O-N 3.24Å; M302-R306 HydrophobicContact CB-CB 4.35Å; M302-R306 HydrophobicContact SD-CB 4.16Å; M302-R307 HydrophobicContact CB-CG 3.54Å; M302-R307 PolarHBondContact O-NE 3.1Å; M302-R307 PolarHBondContact O-NH2 3Å; M302-R307 HydrophobicContact SD-CG 4.3Å; M302-L310 HydrophobicContact CE-CD1 3.96Å; M302-L310 HydrophobicContact CE-CD2 4.13Å; M302-L310 HydrophobicContact SD-CD1 3.66Å; M302-L310 HydrophobicContact SD-CD2 4.44Å; M302-L310 HydrophobicContact SD-CG 4.24Å; M302-W334 HydrophobicContact CE-CB 4.15Å; M302-W334 HydrophobicContact CE-CD2 3.19Å; M302-W334 HydrophobicContact CE-CE3 3.15Å; M302-W334 HydrophobicContact CE-CG 3.66Å; M302-W334 HydrophobicContact CE-CH2 4.18Å; M302-W334 HydrophobicContact CE-CZ2 4.22Å; M302-W334 HydrophobicContact CE-CZ3 3.67Å; M302-W334 HydrophobicContact CG-CE3 4.24Å; M302-W334 HydrophobicContact CG-CH2 3.8Å; M302-W334 HydrophobicContact CG-CZ2 4.34Å; M302-W334 HydrophobicContact CG-CZ3 3.73Å; M302-W334 HydrophobicContact SD-CE3 4.48Å
303	T	87.3	Confident	89.1	Confident	86 Å²	86	76.5 Å²	76.5	53%	0.528	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-62.9	153.9	170.4	62.8	0	0	0	0	110.3	Q301 A305 R306 R307	Q301-T303 PolarHBondContact O-N 3.18Å; T303-A305 PolarHBondContact O-N 3.07Å; T303-R306 PolarHBondContact O-N 3.38Å; T303-R306 WeakPolarHBondContact OG1-CG 3.4Å; T303-R306 PolarHBondContact OG1-N 3.46Å; T303-R307 PolarHBondContact O-N 3.39Å
304	E	89.3	Confident	89.2	Confident	172 Å²	172	83.6 Å²	83.6	80%	0.804	42%	0.415	S	S	*	.	H	α-helix	trans	-55.3	-38.7	179.3	-168.5	173.7	-171.3	0	0	112.2	R306 R307 S308	E304-R306 VanDerWaalsContact C-N 3.32Å; E304-R306 PolarHBondContact O-N 2.95Å; E304-R307 PolarHBondContact O-N 3.23Å; E304-S308 PolarHBondContact O-N 3.2Å
305	A	89.8	Confident	89.2	Confident	62 Å²	62	85 Å²	85	51%	0.512	42%	0.422	S	S	.	.	H	α-helix	trans	-66.6	-27	176.3	0	0	0	0	0	114.4	T303 S308	T303-A305 PolarHBondContact O-N 3.07Å; A305-S308 PolarHBondContact O-OG 3.49Å; A305-S308 VanDerWaalsContact O-OG 3.07Å
306	R	89.3	Confident	89.1	Confident	69 Å²	69	88.3 Å²	88.3	26%	0.26	44%	0.439	S	S	.	.	H	α-helix	trans	-81.7	-42.9	172.4	-74.4	-179.6	67.2	-159.6	-1.7	110.7	M302 T303 E304 S308 R309 D335	M302-R306 HydrophobicContact CB-CB 4.35Å; M302-R306 HydrophobicContact SD-CB 4.16Å; T303-R306 PolarHBondContact O-N 3.38Å; T303-R306 WeakPolarHBondContact OG1-CG 3.4Å; T303-R306 PolarHBondContact OG1-N 3.46Å; E304-R306 VanDerWaalsContact C-N 3.32Å; E304-R306 PolarHBondContact O-N 2.95Å; R306-S308 PolarHBondContact O-N 3.43Å; R306-R309 WeakPolarHBondContact O-CB 3.24Å; R306-R309 PolarHBondContact O-N 2.94Å; R306-D335 WeakPolarHBondContact CG-OD2 3.45Å; R306-D335 IonicContact CZ-OD1 2.65Å; R306-D335 VanDerWaalsContact CZ-OD1 3.28Å; R306-D335 IonicContact CZ-OD2 3.4Å; R306-D335 IonicContact NE-OD1 3.14Å; R306-D335 PolarHBondContact NE-OD1 3.39Å; R306-D335 VanDerWaalsContact NE-OD1 3.14Å; R306-D335 IonicContact NE-OD2 3.08Å; R306-D335 PolarHBondContact NE-OD2 3.34Å; R306-D335 IonicContact NH2-OD1 3.66Å; R306-D335 PolarHBondContact NH2-OD1 2.89Å; R306-D335 IonicContact NH2-OD2 3.51Å
307	R	89.1	Confident	88.9	Confident	124 Å²	124	86.1 Å²	86.1	47%	0.468	43%	0.434	S	S	.	.	H	α-helix	trans	-57.8	-37.1	175.6	-67.6	-175.8	-168	-153.1	-6.4	112.2	M302 T303 E304 R309 L310	M302-R307 HydrophobicContact CB-CG 3.54Å; M302-R307 PolarHBondContact O-NE 3.1Å; M302-R307 PolarHBondContact O-NH2 3Å; M302-R307 HydrophobicContact SD-CG 4.3Å; T303-R307 PolarHBondContact O-N 3.39Å; E304-R307 PolarHBondContact O-N 3.23Å; R307-R309 PolarHBondContact O-N 3.16Å; R307-L310 WeakPolarHBondContact O-CB 3.34Å; R307-L310 PolarHBondContact O-N 3.46Å
308	S	89.9	Confident	88.9	Confident	81 Å²	81	93.1 Å²	93.1	57%	0.566	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-7	177.6	74	0	0	0	0	114.3	E304 A305 R306	E304-S308 PolarHBondContact O-N 3.2Å; A305-S308 PolarHBondContact O-OG 3.49Å; A305-S308 VanDerWaalsContact O-OG 3.07Å; R306-S308 PolarHBondContact O-N 3.43Å
309	R	89.3	Confident	88.9	Confident	159 Å²	159	89.6 Å²	89.6	60%	0.6	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-6.5	175.3	-58.1	175.1	-179.5	-179.8	-4.2	113	R306 R307 F311	R306-R309 WeakPolarHBondContact O-CB 3.24Å; R306-R309 PolarHBondContact O-N 2.94Å; R307-R309 PolarHBondContact O-N 3.16Å; R309-F311 VanDerWaalsContact C-CE2 3.49Å; R309-F311 WeakPolarHBondContact O-CD2 3.38Å; R309-F311 WeakPolarHBondContact O-CE2 3.16Å
310	L	92.9	Very high	89.7	Confident	48 Å²	48	90.1 Å²	90.1	25%	0.251	44%	0.442	S	S	.	.			trans	-87	130.7	177.1	-55.5	-177.2	0	0	0	109.1	M302 R307 D332 D335	M302-L310 HydrophobicContact CE-CD1 3.96Å; M302-L310 HydrophobicContact CE-CD2 4.13Å; M302-L310 HydrophobicContact SD-CD1 3.66Å; M302-L310 HydrophobicContact SD-CD2 4.44Å; M302-L310 HydrophobicContact SD-CG 4.24Å; R307-L310 WeakPolarHBondContact O-CB 3.34Å; R307-L310 PolarHBondContact O-N 3.46Å; L310-D332 HydrophobicContact CB-CB 3.89Å; L310-D332 HydrophobicContact CD2-CB 3.65Å; L310-D332 HydrophobicContact CG-CB 4.32Å; L310-D335 HydrophobicContact CD2-CB 4.01Å
311	F	94.3	Very high	90.5	Very high	120 Å²	120	89.6 Å²	89.6	53%	0.526	45%	0.446	S	S	.	.			trans	-130.6	145.1	-179.1	-58.8	-83.7	0	0	0	111.6	R309 D332	R309-F311 VanDerWaalsContact C-CE2 3.49Å; R309-F311 WeakPolarHBondContact O-CD2 3.38Å; R309-F311 WeakPolarHBondContact O-CE2 3.16Å; F311-D332 PolarHBondContact N-OD2 2.9Å; F311-D332 PolarHBondContact O-N 3.33Å
312	C	95.8	Very high	91.2	Very high	94 Å²	94	89.4 Å²	89.4	64%	0.635	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	137	163.3	-54.9	0	0	0	0	108.7	E330 E331	C312-E330 CarbonylContact C-O 3.39Å; C312-E330 VanDerWaalsContact CA-O 3.3Å; C312-E330 WeakPolarHBondContact CA-O 3.43Å; C312-E331 HydrophobicContact CB-CG 4.21Å; C312-E331 PolarHBondContact SG-OE1 2.92Å
313	R	95.6	Very high	91.8	Very high	87 Å²	87	89.3 Å²	89.3	33%	0.328	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.9	-176.7	54.8	-163.6	166.3	-114.9	-4.9	112.5	E330 D332	R313-E330 HydrophobicContact CG-CB 4.15Å; R313-E330 IonicContact CZ-OE1 3.54Å; R313-E330 PolarHBondContact N-O 3.39Å; R313-E330 IonicContact NE-OE1 2.84Å; R313-E330 PolarHBondContact NE-OE1 2.72Å; R313-E330 IonicContact NH2-OE1 3.49Å; R313-E330 PolarHBondContact NH2-OE1 3.07Å; R313-E330 PolarHBondContact O-N 3.37Å; R313-D332 IonicContact CZ-OD1 3.69Å; R313-D332 IonicContact CZ-OD2 3.81Å; R313-D332 IonicContact NH1-OD1 3.44Å; R313-D332 IonicContact NH1-OD2 2.71Å; R313-D332 PolarHBondContact NH1-OD2 3.34Å; R313-D332 IonicContact NH2-OD1 3.28Å; R313-D332 PolarHBondContact NH2-OD1 3.38Å; R313-D332 IonicContact NH2-OD2 3.13Å; R313-D332 PolarHBondContact NH2-OD2 3.25Å
314	Y	96	Very high	92.1	Very high	168 Å²	168	90.1 Å²	90.1	66%	0.659	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.1	164.9	-72.7	-83.6	0	0	0	107.5	P327 M328 K329	Y314-P327 HydrophobicContact CD1-CB 4.11Å; Y314-P327 HydrophobicContact CG-CB 4.42Å; Y314-M328 CarbonylContact C-O 3.55Å; Y314-M328 WeakPolarHBondContact CA-O 3.26Å; Y314-K329 HydrophobicContact CD1-CG 3.98Å; Y314-K329 HydrophobicContact CE1-CD 4.33Å; Y314-K329 HydrophobicContact CE1-CG 3.49Å; Y314-K329 VanDerWaalsContact CE1-CG 3.49Å
315	Q	93.8	Very high	92.2	Very high	35 Å²	35	89.5 Å²	89.5	16%	0.164	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.3	179.6	67.4	130.7	-10.5	0	0	111.7	P327 M328 E330 Y342 I406	Q315-P327 WeakPolarHBondContact O-CA 3.4Å; Q315-M328 HydrophobicContact CG-CB 4.05Å; Q315-M328 PolarHBondContact N-O 3.46Å; Q315-M328 PolarHBondContact O-N 3.17Å; Q315-E330 HydrophobicContact CG-CB 4.16Å; Q315-E330 VanDerWaalsContact CG-OE2 3.29Å; Q315-E330 WeakPolarHBondContact CG-OE2 3.47Å; Q315-E330 PolarHBondContact NE2-OE2 2.86Å; Q315-Y342 VanDerWaalsContact NE2-CE1 3.27Å; Q315-I406 PolarHBondContact NE2-O 3.38Å
316	D	93.8	Very high	92.4	Very high	69 Å²	69	94 Å²	94	37%	0.369	45%	0.449	S	S	.	.			trans	-102.7	12.1	-176.2	69.3	5	0	0	0	113	R318 G319 N320 L323 L324	D316-R318 VanDerWaalsContact C-N 3.28Å; D316-R318 PolarHBondContact O-N 3.33Å; D316-R318 WeakPolarHBondContact OD1-CA 3.07Å; D316-R318 PolarHBondContact OD1-N 2.71Å; D316-G319 PolarHBondContact O-N 2.7Å; D316-G319 PolarHBondContact OD1-N 2.79Å; D316-G319 VanDerWaalsContact OD1-N 3.11Å; D316-N320 WeakPolarHBondContact O-CB 3.45Å; D316-N320 PolarHBondContact O-N 2.84Å; D316-L323 WeakPolarHBondContact O-CB 3.48Å; D316-L324 HydrophobicContact CB-CD2 4.07Å
317	G	88.1	Confident	92.7	Very high	12 Å²	12	93.2 Å²	93.2	12%	0.124	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	32.1	-178.5	0	0	0	0	0	114.2
318	R	88.4	Confident	93.1	Very high	181 Å²	181	88.1 Å²	88.1	68%	0.683	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	47.9	-175.2	-57.2	173.7	-78.3	-145.3	-10.9	111.5	D316 T407	D316-R318 VanDerWaalsContact C-N 3.28Å; D316-R318 PolarHBondContact O-N 3.33Å; D316-R318 WeakPolarHBondContact OD1-CA 3.07Å; D316-R318 PolarHBondContact OD1-N 2.71Å; R318-T407 PolarHBondContact NH2-O 3.36Å; R318-T407 VanDerWaalsContact NH2-O 3.1Å
319	G	90.1	Very high	93.4	Very high	37 Å²	37	87 Å²	87	38%	0.381	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	28.2	-178.6	0	0	0	0	0	114	D316	D316-G319 PolarHBondContact O-N 2.7Å; D316-G319 PolarHBondContact OD1-N 2.79Å; D316-G319 VanDerWaalsContact OD1-N 3.11Å
320	N	93.9	Very high	93.8	Very high	27 Å²	27	80.2 Å²	80.2	14%	0.144	39%	0.394	C	S	.	.			trans	-61.5	125.5	173.4	-178.2	-63.2	0	0	0	109.6	D316 R322 L323 L324 D405	D316-N320 WeakPolarHBondContact O-CB 3.45Å; D316-N320 PolarHBondContact O-N 2.84Å; N320-R322 PolarHBondContact O-N 3.49Å; N320-R322 WeakPolarHBondContact OD1-CB 3.49Å; N320-R322 PolarHBondContact OD1-N 2.84Å; N320-L323 HydrophobicContact CB-CB 4.19Å; N320-L323 HydrophobicContact CB-CD1 4.22Å; N320-L323 HydrophobicContact CB-CG 4.24Å; N320-L323 PolarHBondContact O-N 3.18Å; N320-L324 WeakPolarHBondContact O-CG 3.38Å; N320-L324 PolarHBondContact O-N 3.14Å; N320-D405 WeakPolarHBondContact ND2-CA 3.49Å; N320-D405 WeakPolarHBondContact ND2-CB 3.22Å; N320-D405 VanDerWaalsContact ND2-CG 3.34Å; N320-D405 PolarHBondContact ND2-OD1 2.91Å
321	P	93.2	Very high	94	Very high	100 Å²	100	80.6 Å²	80.6	65%	0.649	40%	0.395	S	S	*	.	H	α-helix	trans	-55.4	-32.1	-175.2	-28.4	35.4	0	0	0	114.9
322	R	92.6	Very high	94	Very high	132 Å²	132	75.7 Å²	75.7	50%	0.498	37%	0.374	S	S	.	.	H	α-helix	trans	-76.1	-38.9	179.1	-56	-165.9	-170.2	98.3	-6.2	111.5	N320 L325 K326 Q401 D405	N320-R322 PolarHBondContact O-N 3.49Å; N320-R322 WeakPolarHBondContact OD1-CB 3.49Å; N320-R322 PolarHBondContact OD1-N 2.84Å; R322-L325 PolarHBondContact O-N 3.24Å; R322-K326 PolarHBondContact O-N 3.12Å; R322-Q401 VanDerWaalsContact NH1-NE2 3.13Å; R322-D405 WeakPolarHBondContact CD-OD2 3.38Å; R322-D405 IonicContact CZ-OD2 3.2Å; R322-D405 IonicContact NE-OD2 3.85Å; R322-D405 VanDerWaalsContact NH1-CG 3.25Å; R322-D405 IonicContact NH1-OD1 3.56Å; R322-D405 PolarHBondContact NH1-OD1 3.07Å; R322-D405 IonicContact NH1-OD2 3.26Å; R322-D405 PolarHBondContact NH1-OD2 3.22Å
323	L	95.4	Very high	93.9	Very high	13 Å²	13	73.5 Å²	73.5	7%	0.068	36%	0.355	C	S	.	.	H	α-helix	trans	-81.6	-16.5	-178.8	-59.2	179.2	0	0	0	113.2	D316 N320 L325 K326 P327 M328 D405 I406	D316-L323 WeakPolarHBondContact O-CB 3.48Å; N320-L323 HydrophobicContact CB-CB 4.19Å; N320-L323 HydrophobicContact CB-CD1 4.22Å; N320-L323 HydrophobicContact CB-CG 4.24Å; N320-L323 PolarHBondContact O-N 3.18Å; L323-L325 VanDerWaalsContact C-N 3.28Å; L323-L325 PolarHBondContact O-N 3.25Å; L323-K326 CarbonylContact O-C 3.57Å; L323-K326 VanDerWaalsContact O-C 3.25Å; L323-P327 WeakPolarHBondContact O-CA 3.5Å; L323-P327 WeakPolarHBondContact O-CD 3.04Å; L323-P327 WeakPolarHBondContact O-CG 3.13Å; L323-M328 HydrophobicContact CD2-CB 4.28Å; L323-D405 HydrophobicContact CD1-CB 4.16Å; L323-D405 WeakPolarHBondContact CD1-O 3.48Å; L323-D405 HydrophobicContact CG-CB 4.33Å; L323-I406 HydrophobicContact CD1-CB 4.49Å; L323-I406 HydrophobicContact CD1-CG2 3.84Å; L323-I406 HydrophobicContact CD2-CG2 4.2Å
324	L	93.8	Very high	93.8	Very high	102 Å²	102	70.2 Å²	70.2	53%	0.534	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-34.8	167.2	-72.8	174	0	0	0	112.2	D316 N320	D316-L324 HydrophobicContact CB-CD2 4.07Å; N320-L324 WeakPolarHBondContact O-CG 3.38Å; N320-L324 PolarHBondContact O-N 3.14Å
325	L	91.5	Very high	93.6	Very high	160 Å²	160	63.8 Å²	63.8	84%	0.838	32%	0.319	S	S	*	.	H	α-helix	trans	-84	-37	178.3	-63.1	178	0	0	0	112.3	R322 L323	R322-L325 PolarHBondContact O-N 3.24Å; L323-L325 VanDerWaalsContact C-N 3.28Å; L323-L325 PolarHBondContact O-N 3.25Å
326	K	93.1	Very high	93.4	Very high	156 Å²	156	65 Å²	65	68%	0.678	33%	0.332	S	S	*	.	S	Bend	trans	-134.1	84.7	177	-171.6	-178.6	177.6	-174.8	0	109.5	R322 L323	R322-K326 PolarHBondContact O-N 3.12Å; L323-K326 CarbonylContact O-C 3.57Å; L323-K326 VanDerWaalsContact O-C 3.25Å
327	P	96.1	Very high	93.4	Very high	53 Å²	53	62.1 Å²	62.1	34%	0.344	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-57.9	142.6	178.4	-26.6	35	0	0	0	111.9	Y314 Q315 L323	Y314-P327 HydrophobicContact CD1-CB 4.11Å; Y314-P327 HydrophobicContact CG-CB 4.42Å; Q315-P327 WeakPolarHBondContact O-CA 3.4Å; L323-P327 WeakPolarHBondContact O-CA 3.5Å; L323-P327 WeakPolarHBondContact O-CD 3.04Å; L323-P327 WeakPolarHBondContact O-CG 3.13Å
328	M	96.8	Very high	93.6	Very high	16 Å²	16	66.1 Å²	66.1	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	130.1	178.8	-174.6	70.1	-126	0	0	109.6	Y314 Q315 L323 E330 Y342 L343 M345 I406	Y314-M328 CarbonylContact C-O 3.55Å; Y314-M328 WeakPolarHBondContact CA-O 3.26Å; Q315-M328 HydrophobicContact CG-CB 4.05Å; Q315-M328 PolarHBondContact N-O 3.46Å; Q315-M328 PolarHBondContact O-N 3.17Å; L323-M328 HydrophobicContact CD2-CB 4.28Å; M328-E330 PolarHBondContact O-N 3.03Å; M328-Y342 HydrophobicContact CG-CD1 3.66Å; M328-Y342 HydrophobicContact CG-CE1 4.36Å; M328-Y342 HydrophobicContact CG-CG 4.37Å; M328-L343 WeakPolarHBondContact CE-O 3.35Å; M328-M345 HydrophobicContact SD-SD 4.43Å; M328-I406 HydrophobicContact CB-CG2 3.91Å; M328-I406 HydrophobicContact CG-CG2 3.73Å; M328-I406 HydrophobicContact SD-CG2 4.07Å
329	K	97.7	Very high	94	Very high	58 Å²	58	57.5 Å²	57.5	25%	0.252	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	117	172.3	-68.5	171	-179.4	166.8	0	108.9	Y314 Y342 L343 E344	Y314-K329 HydrophobicContact CD1-CG 3.98Å; Y314-K329 HydrophobicContact CE1-CD 4.33Å; Y314-K329 HydrophobicContact CE1-CG 3.49Å; Y314-K329 VanDerWaalsContact CE1-CG 3.49Å; K329-Y342 WeakPolarHBondContact O-CA 3.43Å; K329-L343 HydrophobicContact CB-CB 3.83Å; K329-L343 HydrophobicContact CB-CD1 4.43Å; K329-L343 HydrophobicContact CB-CG 4.44Å; K329-L343 HydrophobicContact CD-CB 4.36Å; K329-L343 PolarHBondContact O-N 3.25Å; K329-E344 IonicContact NZ-OE1 2.64Å; K329-E344 PolarHBondContact NZ-OE1 2.88Å; K329-E344 IonicContact NZ-OE2 2.78Å; K329-E344 PolarHBondContact NZ-OE2 3.25Å
330	E	96.9	Very high	94.3	Very high	16 Å²	16	56 Å²	56	8%	0.075	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.4	-177	-177.5	-178.3	111.3	0	0	110.3	C312 R313 Q315 M328 V340 R341 Y342	C312-E330 CarbonylContact C-O 3.39Å; C312-E330 VanDerWaalsContact CA-O 3.3Å; C312-E330 WeakPolarHBondContact CA-O 3.43Å; R313-E330 HydrophobicContact CG-CB 4.15Å; R313-E330 IonicContact CZ-OE1 3.54Å; R313-E330 PolarHBondContact N-O 3.39Å; R313-E330 IonicContact NE-OE1 2.84Å; R313-E330 PolarHBondContact NE-OE1 2.72Å; R313-E330 IonicContact NH2-OE1 3.49Å; R313-E330 PolarHBondContact NH2-OE1 3.07Å; R313-E330 PolarHBondContact O-N 3.37Å; Q315-E330 HydrophobicContact CG-CB 4.16Å; Q315-E330 VanDerWaalsContact CG-OE2 3.29Å; Q315-E330 WeakPolarHBondContact CG-OE2 3.47Å; Q315-E330 PolarHBondContact NE2-OE2 2.86Å; M328-E330 PolarHBondContact O-N 3.03Å; E330-V340 HydrophobicContact CG-CB 4.2Å; E330-V340 HydrophobicContact CG-CG1 4.48Å; E330-R341 CarbonylContact C-O 3.57Å; E330-R341 WeakPolarHBondContact CA-O 3.35Å; E330-Y342 HydrophobicContact CB-CD1 4.22Å; E330-Y342 HydrophobicContact CB-CE1 4.22Å; E330-Y342 HydrophobicContact CG-CD1 4.25Å; E330-Y342 HydrophobicContact CG-CE1 3.92Å; E330-Y342 WeakPolarHBondContact OE2-CE1 3.41Å
331	E	96.3	Very high	94.5	Very high	56 Å²	56	55.4 Å²	55.4	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.1	176.7	-54.1	-171.4	138.5	0	0	109.7	C312 E333 V340 R341 L343	C312-E331 HydrophobicContact CB-CG 4.21Å; C312-E331 PolarHBondContact SG-OE1 2.92Å; E331-E333 PolarHBondContact O-N 3.28Å; E331-V340 CarbonylContact O-C 3.52Å; E331-V340 WeakPolarHBondContact O-CA 3.04Å; E331-R341 PolarHBondContact N-O 2.91Å; E331-R341 PolarHBondContact O-N 3.45Å; E331-L343 VanDerWaalsContact CD-CD1 3.49Å; E331-L343 HydrophobicContact CG-CD1 4.01Å; E331-L343 HydrophobicContact CG-CG 4.18Å; E331-L343 WeakPolarHBondContact OE1-CD1 3.43Å
332	D	95.6	Very high	94.7	Very high	18 Å²	18	51 Å²	51	10%	0.096	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	112.7	172.9	-64.4	-35.7	0	0	0	110.1	L310 F311 R313 H338	L310-D332 HydrophobicContact CB-CB 3.89Å; L310-D332 HydrophobicContact CD2-CB 3.65Å; L310-D332 HydrophobicContact CG-CB 4.32Å; F311-D332 PolarHBondContact N-OD2 2.9Å; F311-D332 PolarHBondContact O-N 3.33Å; R313-D332 IonicContact CZ-OD1 3.69Å; R313-D332 IonicContact CZ-OD2 3.81Å; R313-D332 IonicContact NH1-OD1 3.44Å; R313-D332 IonicContact NH1-OD2 2.71Å; R313-D332 PolarHBondContact NH1-OD2 3.34Å; R313-D332 IonicContact NH2-OD1 3.28Å; R313-D332 PolarHBondContact NH2-OD1 3.38Å; R313-D332 IonicContact NH2-OD2 3.13Å; R313-D332 PolarHBondContact NH2-OD2 3.25Å; D332-H338 IonicContact OD1-CE1 3.11Å; D332-H338 PolarHBondContact OD1-CE1 2.81Å; D332-H338 IonicContact OD1-NE2 3.6Å
333	E	94	Very high	95	Very high	48 Å²	48	45.6 Å²	45.6	22%	0.224	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-35	172.6	-75.4	-74.1	-171.8	0	0	111.2	E331 I339 R341 I477	E331-E333 PolarHBondContact O-N 3.28Å; E333-I339 HydrophobicContact CB-CB 4.23Å; E333-I339 HydrophobicContact CB-CG2 4.03Å; E333-I339 PolarHBondContact N-O 3.15Å; E333-R341 HydrophobicContact CG-CB 3.74Å; E333-R341 IonicContact OE1-CZ 3.17Å; E333-R341 IonicContact OE1-NE 3.81Å; E333-R341 PolarHBondContact OE1-NE 3.32Å; E333-R341 IonicContact OE1-NH2 2.71Å; E333-R341 PolarHBondContact OE1-NH2 3.16Å; E333-I477 HydrophobicContact CB-CD1 4.36Å; E333-I477 HydrophobicContact CG-CG2 4.43Å
334	W	93.8	Very high	95	Very high	17 Å²	17	50.8 Å²	50.8	6%	0.064	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	143.1	179.9	-151.7	-100.4	0	0	0	112.8	M302 S336 H338 I339 F473 A475	M302-W334 HydrophobicContact CE-CB 4.15Å; M302-W334 HydrophobicContact CE-CD2 3.19Å; M302-W334 HydrophobicContact CE-CE3 3.15Å; M302-W334 HydrophobicContact CE-CG 3.66Å; M302-W334 HydrophobicContact CE-CH2 4.18Å; M302-W334 HydrophobicContact CE-CZ2 4.22Å; M302-W334 HydrophobicContact CE-CZ3 3.67Å; M302-W334 HydrophobicContact CG-CE3 4.24Å; M302-W334 HydrophobicContact CG-CH2 3.8Å; M302-W334 HydrophobicContact CG-CZ2 4.34Å; M302-W334 HydrophobicContact CG-CZ3 3.73Å; M302-W334 HydrophobicContact SD-CE3 4.48Å; W334-S336 VanDerWaalsContact CD1-C 3.46Å; W334-S336 PolarHBondContact NE1-O 2.84Å; W334-H338 WeakPolarHBondContact O-CA 3.13Å; W334-H338 PolarHBondContact O-ND1 3.04Å; W334-I339 HydrophobicContact CB-CB 3.92Å; W334-I339 HydrophobicContact CB-CD1 3.85Å; W334-I339 HydrophobicContact CB-CG1 4.07Å; W334-I339 HydrophobicContact CG-CD1 4.46Å; W334-I339 PolarHBondContact N-O 3.26Å; W334-I339 VanDerWaalsContact N-O 3.09Å; W334-I339 PolarHBondContact O-N 3.39Å; W334-F473 AromaticContact CD1-CD2 3.65Å; W334-F473 AromaticContact CD1-CE2 3.53Å; W334-F473 AromaticContact CD2-CD2 3.99Å; W334-F473 HydrophobicContact CD2-CD2 3.99Å; W334-F473 AromaticContact CD2-CE2 3.98Å; W334-F473 HydrophobicContact CD2-CE2 3.98Å; W334-F473 AromaticContact CE2-CD2 3.4Å; W334-F473 VanDerWaalsContact CE2-CD2 3.4Å; W334-F473 AromaticContact CE2-CE2 3.88Å; W334-F473 HydrophobicContact CG-CD2 4.15Å; W334-F473 AromaticContact CG-CE2 3.81Å; W334-F473 HydrophobicContact CG-CE2 3.81Å; W334-F473 AromaticContact CZ2-CD2 3.84Å; W334-F473 HydrophobicContact CZ2-CD2 3.84Å; W334-F473 WeakPolarHBondContact CZ2-O 3.41Å; W334-F473 AromaticContact NE1-CD2 3.14Å; W334-F473 AromaticContact NE1-CE2 3.56Å; W334-F473 AromaticContact NE1-CG 3.96Å; W334-A475 HydrophobicContact CD2-CB 3.75Å; W334-A475 HydrophobicContact CE3-CB 3.47Å; W334-A475 VanDerWaalsContact CE3-CB 3.47Å; W334-A475 HydrophobicContact CG-CB 4.39Å; W334-A475 HydrophobicContact CH2-CB 4.19Å; W334-A475 HydrophobicContact CZ2-CB 4.42Å; W334-A475 HydrophobicContact CZ3-CB 3.72Å
335	D	91.3	Very high	95.2	Very high	34 Å²	34	45.9 Å²	45.9	18%	0.182	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-39.4	-176.7	64	-27.6	0	0	0	112.9	R306 L310	R306-D335 WeakPolarHBondContact CG-OD2 3.45Å; R306-D335 IonicContact CZ-OD1 2.65Å; R306-D335 VanDerWaalsContact CZ-OD1 3.28Å; R306-D335 IonicContact CZ-OD2 3.4Å; R306-D335 IonicContact NE-OD1 3.14Å; R306-D335 PolarHBondContact NE-OD1 3.39Å; R306-D335 VanDerWaalsContact NE-OD1 3.14Å; R306-D335 IonicContact NE-OD2 3.08Å; R306-D335 PolarHBondContact NE-OD2 3.34Å; R306-D335 IonicContact NH2-OD1 3.66Å; R306-D335 PolarHBondContact NH2-OD1 2.89Å; R306-D335 IonicContact NH2-OD2 3.51Å; L310-D335 HydrophobicContact CD2-CB 4.01Å
336	S	89.8	Confident	95.5	Very high	60 Å²	60	38.7 Å²	38.7	42%	0.42	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-153.8	119	178.8	-164.1	0	0	0	0	113.1	W334 R499	W334-S336 VanDerWaalsContact CD1-C 3.46Å; W334-S336 PolarHBondContact NE1-O 2.84Å; S336-R499 PolarHBondContact OG-NH1 3.45Å
337	P	92.4	Very high	95.7	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.058	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	cis	-53.1	149	-12.1	-21.7	32.8	0	0	0	112.1	I339 F473 R499	P337-I339 PolarHBondContact O-N 3.38Å; P337-F473 HydrophobicContact CG-CD1 4.09Å; P337-F473 HydrophobicContact CG-CE1 3.73Å; P337-F473 HydrophobicContact CG-CZ 4.28Å; P337-R499 HydrophobicContact CG-CB 3.68Å
338	H	92.5	Very high	95.8	Very high	95 Å²	95	35 Å²	35	44%	0.44	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	118.8	-177.4	-168.3	51.5	0	0	0	110.2	D332 W334 V340	D332-H338 IonicContact OD1-CE1 3.11Å; D332-H338 PolarHBondContact OD1-CE1 2.81Å; D332-H338 IonicContact OD1-NE2 3.6Å; W334-H338 WeakPolarHBondContact O-CA 3.13Å; W334-H338 PolarHBondContact O-ND1 3.04Å; H338-V340 VanDerWaalsContact NE2-CG1 3.26Å; H338-V340 WeakPolarHBondContact NE2-CG1 2.9Å
339	I	96.3	Very high	95.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.8	176.5	-56.6	166.2	0	0	0	108	E333 W334 P337 F470 F473 I477 V485 W487	E333-I339 HydrophobicContact CB-CB 4.23Å; E333-I339 HydrophobicContact CB-CG2 4.03Å; E333-I339 PolarHBondContact N-O 3.15Å; W334-I339 HydrophobicContact CB-CB 3.92Å; W334-I339 HydrophobicContact CB-CD1 3.85Å; W334-I339 HydrophobicContact CB-CG1 4.07Å; W334-I339 HydrophobicContact CG-CD1 4.46Å; W334-I339 PolarHBondContact N-O 3.26Å; W334-I339 VanDerWaalsContact N-O 3.09Å; W334-I339 PolarHBondContact O-N 3.39Å; P337-I339 PolarHBondContact O-N 3.38Å; I339-F470 HydrophobicContact CD1-CD2 4.03Å; I339-F470 HydrophobicContact CD1-CE1 4.32Å; I339-F470 HydrophobicContact CD1-CE2 3.82Å; I339-F470 HydrophobicContact CD1-CG 4.39Å; I339-F470 HydrophobicContact CD1-CZ 3.98Å; I339-F473 HydrophobicContact CD1-CE2 3.74Å; I339-F473 HydrophobicContact CD1-CZ 3.48Å; I339-F473 VanDerWaalsContact CD1-CZ 3.48Å; I339-I477 HydrophobicContact CD1-CD1 4.22Å; I339-I477 HydrophobicContact CG2-CD1 3.64Å; I339-V485 HydrophobicContact CG2-CG1 3.39Å; I339-W487 HydrophobicContact CG1-CB 4.12Å
340	V	97.2	Very high	95.9	Very high	5 Å²	5	39 Å²	39	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.8	-178.5	-60.6	0	0	0	0	110.5	E330 E331 H338 Y342 V485 F486	E330-V340 HydrophobicContact CG-CB 4.2Å; E330-V340 HydrophobicContact CG-CG1 4.48Å; E331-V340 CarbonylContact O-C 3.52Å; E331-V340 WeakPolarHBondContact O-CA 3.04Å; H338-V340 VanDerWaalsContact NE2-CG1 3.26Å; H338-V340 WeakPolarHBondContact NE2-CG1 2.9Å; V340-Y342 HydrophobicContact CG2-CE1 4.38Å; V340-Y342 HydrophobicContact CG2-CE2 3.89Å; V340-V485 WeakPolarHBondContact O-CA 2.92Å; V340-F486 HydrophobicContact CG2-CB 3.86Å; V340-F486 HydrophobicContact CG2-CD1 3.86Å; V340-F486 HydrophobicContact CG2-CG 4.36Å; V340-F486 PolarHBondContact N-O 2.85Å; V340-F486 VanDerWaalsContact N-O 3.13Å; V340-F486 PolarHBondContact O-N 2.78Å
341	R	98.1	Very high	95.9	Very high	14 Å²	14	38.3 Å²	38.3	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134	168.1	-177.2	-178.1	-61.4	-111.5	10.6	110.3	E330 E331 E333 L343 W478 T483 S484 V485	E330-R341 CarbonylContact C-O 3.57Å; E330-R341 WeakPolarHBondContact CA-O 3.35Å; E331-R341 PolarHBondContact N-O 2.91Å; E331-R341 PolarHBondContact O-N 3.45Å; E333-R341 HydrophobicContact CG-CB 3.74Å; E333-R341 IonicContact OE1-CZ 3.17Å; E333-R341 IonicContact OE1-NE 3.81Å; E333-R341 PolarHBondContact OE1-NE 3.32Å; E333-R341 IonicContact OE1-NH2 2.71Å; E333-R341 PolarHBondContact OE1-NH2 3.16Å; R341-L343 HydrophobicContact CG-CD2 4.06Å; R341-W478 PolarHBondContact NH1-O 3.23Å; R341-W478 PolarHBondContact NH2-O 3.11Å; R341-T483 PolarHBondContact NH1-OG1 3.35Å; R341-S484 CarbonylContact C-O 3.6Å; R341-S484 VanDerWaalsContact CA-O 3.22Å; R341-S484 WeakPolarHBondContact CA-O 3.32Å; R341-S484 WeakPolarHBondContact CG-O 3.24Å; R341-V485 HydrophobicContact CB-CG2 4.48Å; R341-V485 HydrophobicContact CG-CG2 4.49Å
342	Y	98.1	Very high	95.9	Very high	8 Å²	8	40 Å²	40	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.5	168.6	-61.9	-61.8	0	0	0	109.7	Q315 M328 K329 E330 V340 I406 F455 T483 S484 F486	Q315-Y342 VanDerWaalsContact NE2-CE1 3.27Å; M328-Y342 HydrophobicContact CG-CD1 3.66Å; M328-Y342 HydrophobicContact CG-CE1 4.36Å; M328-Y342 HydrophobicContact CG-CG 4.37Å; K329-Y342 WeakPolarHBondContact O-CA 3.43Å; E330-Y342 HydrophobicContact CB-CD1 4.22Å; E330-Y342 HydrophobicContact CB-CE1 4.22Å; E330-Y342 HydrophobicContact CG-CD1 4.25Å; E330-Y342 HydrophobicContact CG-CE1 3.92Å; E330-Y342 WeakPolarHBondContact OE2-CE1 3.41Å; V340-Y342 HydrophobicContact CG2-CE1 4.38Å; V340-Y342 HydrophobicContact CG2-CE2 3.89Å; Y342-I406 HydrophobicContact CD2-CD1 4.03Å; Y342-I406 HydrophobicContact CE1-CB 4.49Å; Y342-I406 HydrophobicContact CE2-CD1 4.15Å; Y342-I406 HydrophobicContact CE2-CG1 4.39Å; Y342-I406 HydrophobicContact CG-CD1 4.28Å; Y342-F455 AromaticContact CD2-CE2 3.55Å; Y342-F455 HydrophobicContact CD2-CE2 3.55Å; Y342-F455 AromaticContact CD2-CZ 3.57Å; Y342-F455 HydrophobicContact CD2-CZ 3.57Å; Y342-F455 HydrophobicContact CE2-CD2 4.45Å; Y342-F455 AromaticContact CE2-CE2 3.49Å; Y342-F455 HydrophobicContact CE2-CE2 3.49Å; Y342-F455 VanDerWaalsContact CE2-CE2 3.49Å; Y342-F455 HydrophobicContact CE2-CZ 4.03Å; Y342-F455 HydrophobicContact CG-CZ 4.5Å; Y342-T483 CarbonylContact O-C 3.54Å; Y342-T483 VanDerWaalsContact O-CA 3.23Å; Y342-T483 WeakPolarHBondContact O-CA 3.49Å; Y342-T483 WeakPolarHBondContact O-CB 3.3Å; Y342-S484 PolarHBondContact N-O 3.27Å; Y342-S484 PolarHBondContact O-N 2.99Å; Y342-F486 HydrophobicContact CD2-CB 4.37Å; Y342-F486 HydrophobicContact CE2-CB 3.67Å; Y342-F486 HydrophobicContact CE2-CG 4.29Å
343	L	97.8	Very high	96	Very high	19 Å²	19	41.8 Å²	41.8	10%	0.099	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.6	-179.1	-59.5	-177.7	0	0	0	112.1	M328 K329 E331 R341 M345 T483	M328-L343 WeakPolarHBondContact CE-O 3.35Å; K329-L343 HydrophobicContact CB-CB 3.83Å; K329-L343 HydrophobicContact CB-CD1 4.43Å; K329-L343 HydrophobicContact CB-CG 4.44Å; K329-L343 HydrophobicContact CD-CB 4.36Å; K329-L343 PolarHBondContact O-N 3.25Å; E331-L343 VanDerWaalsContact CD-CD1 3.49Å; E331-L343 HydrophobicContact CG-CD1 4.01Å; E331-L343 HydrophobicContact CG-CG 4.18Å; E331-L343 WeakPolarHBondContact OE1-CD1 3.43Å; R341-L343 HydrophobicContact CG-CD2 4.06Å; L343-M345 PolarHBondContact O-N 3.36Å; L343-T483 HydrophobicContact CD2-CG2 3.64Å
344	E	96.1	Very high	96.1	Very high	121 Å²	121	39.5 Å²	39.5	57%	0.565	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	35.7	-177.4	-55.2	165.4	-162.1	0	0	112	K329 L346 G482	K329-E344 IonicContact NZ-OE1 2.64Å; K329-E344 PolarHBondContact NZ-OE1 2.88Å; K329-E344 IonicContact NZ-OE2 2.78Å; K329-E344 PolarHBondContact NZ-OE2 3.25Å; E344-L346 VanDerWaalsContact C-N 3.35Å; E344-G482 CarbonylContact C-O 3.25Å; E344-G482 PolarHBondContact N-O 2.94Å
345	M	97	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.			trans	-68.2	-34.5	176.7	179.6	58.1	-172.2	0	0	111.8	M328 L343 R402 I403 I406 F455 G482 S484	M328-M345 HydrophobicContact SD-SD 4.43Å; L343-M345 PolarHBondContact O-N 3.36Å; M345-R402 HydrophobicContact CE-CB 3.86Å; M345-R402 HydrophobicContact CE-CG 3.62Å; M345-R402 WeakPolarHBondContact O-CD 3.36Å; M345-R402 PolarHBondContact O-NH1 3.36Å; M345-R402 WeakPolarHBondContact SD-CD 3.46Å; M345-R402 HydrophobicContact SD-CG 3.76Å; M345-I403 HydrophobicContact CE-CG1 3.63Å; M345-I406 HydrophobicContact CE-CD1 3.59Å; M345-I406 HydrophobicContact SD-CD1 3.56Å; M345-I406 VanDerWaalsContact SD-CD1 3.56Å; M345-F455 HydrophobicContact CE-CE1 3.82Å; M345-F455 HydrophobicContact CE-CZ 3.75Å; M345-F455 HydrophobicContact CG-CE1 4.12Å; M345-F455 HydrophobicContact CG-CZ 4.18Å; M345-F455 HydrophobicContact SD-CE1 4.47Å; M345-F455 HydrophobicContact SD-CZ 4.11Å; M345-G482 PolarHBondContact N-O 3.31Å; M345-S484 VanDerWaalsContact CB-OG 3.31Å; M345-S484 WeakPolarHBondContact CB-OG 3.39Å; M345-S484 WeakPolarHBondContact CG-OG 3.38Å
346	L	97.9	Very high	96.2	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.042	22%	0.217	C	C	.	.	S	Bend	trans	-124.8	138.7	176.6	-60.2	178.4	0	0	0	110.5	E344 I351 V399 N457 M459 G482	E344-L346 VanDerWaalsContact C-N 3.35Å; L346-I351 HydrophobicContact CB-CD1 4.11Å; L346-I351 HydrophobicContact CB-CG1 3.83Å; L346-I351 HydrophobicContact CD1-CG1 4.08Å; L346-V399 HydrophobicContact CD2-CB 4.44Å; L346-V399 HydrophobicContact CD2-CG1 4.01Å; L346-V399 HydrophobicContact CD2-CG2 3.52Å; L346-N457 HydrophobicContact CD1-CB 3.63Å; L346-N457 HydrophobicContact CG-CB 4.48Å; L346-M459 HydrophobicContact CD1-CG 3.96Å; L346-M459 HydrophobicContact CD1-SD 4.31Å; L346-G482 PolarHBondContact N-O 3.33Å
347	S	97.9	Very high	96.4	Very high	45 Å²	45	42.1 Å²	42.1	32%	0.315	21%	0.205	S	C	.	.			trans	-80.4	162.6	169	88.5	0	0	0	0	111.5	E349 E350 I351	S347-E349 VanDerWaalsContact C-N 3.27Å; S347-E349 VanDerWaalsContact CB-OE2 3.24Å; S347-E349 WeakPolarHBondContact CB-OE2 3.41Å; S347-E349 PolarHBondContact O-N 3.42Å; S347-E349 PolarHBondContact OG-N 2.99Å; S347-E349 PolarHBondContact OG-OE2 3.06Å; S347-E350 PolarHBondContact N-OE2 2.93Å; S347-E350 PolarHBondContact O-N 3.18Å; S347-E350 PolarHBondContact OG-N 3.32Å; S347-I351 VanDerWaalsContact O-CG1 3.31Å; S347-I351 WeakPolarHBondContact O-CG1 3.25Å; S347-I351 PolarHBondContact O-N 3.25Å
348	D	98.1	Very high	96.4	Very high	88 Å²	88	41.7 Å²	41.7	47%	0.471	20%	0.202	S	C	.	.	H	α-helix	trans	-61.4	-36.9	176.8	-81.1	-9.9	0	0	0	112.1	I351 E352 K481	D348-I351 PolarHBondContact O-N 3Å; D348-E352 WeakPolarHBondContact O-CG 3.31Å; D348-E352 PolarHBondContact O-N 2.96Å; D348-K481 WeakPolarHBondContact OD1-CE 3.43Å; D348-K481 IonicContact OD1-NZ 3.68Å; D348-K481 PolarHBondContact OD1-NZ 3.29Å; D348-K481 IonicContact OD2-NZ 2.63Å; D348-K481 PolarHBondContact OD2-NZ 3.43Å
349	E	98.1	Very high	96.1	Very high	142 Å²	142	42.6 Å²	42.6	66%	0.664	21%	0.205	S	C	*	.	H	α-helix	trans	-66.6	-41	176.5	-55	78.6	-171.6	0	0	111.9	S347 K353	S347-E349 VanDerWaalsContact C-N 3.27Å; S347-E349 VanDerWaalsContact CB-OE2 3.24Å; S347-E349 WeakPolarHBondContact CB-OE2 3.41Å; S347-E349 PolarHBondContact O-N 3.42Å; S347-E349 PolarHBondContact OG-N 2.99Å; S347-E349 PolarHBondContact OG-OE2 3.06Å; E349-K353 WeakPolarHBondContact O-CB 3.37Å; E349-K353 PolarHBondContact O-N 3.39Å
350	E	98.1	Very high	95.6	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-43.6	175.2	-68.1	-179.1	146.8	0	0	110.8	S347 K353 I354 V395 R398 R402	S347-E350 PolarHBondContact N-OE2 2.93Å; S347-E350 PolarHBondContact O-N 3.18Å; S347-E350 PolarHBondContact OG-N 3.32Å; E350-K353 PolarHBondContact O-N 2.98Å; E350-I354 WeakPolarHBondContact O-CD1 3.22Å; E350-I354 WeakPolarHBondContact O-CG1 3.41Å; E350-I354 PolarHBondContact O-N 3.45Å; E350-V395 HydrophobicContact CB-CG1 3.95Å; E350-V395 HydrophobicContact CG-CG1 4.03Å; E350-R398 IonicContact OE1-NE 2.96Å; E350-R402 IonicContact OE1-CZ 3.28Å; E350-R402 IonicContact OE1-NH1 2.71Å; E350-R402 IonicContact OE1-NH2 2.64Å; E350-R402 PolarHBondContact OE1-NH2 2.81Å; E350-R402 IonicContact OE2-CZ 3.91Å; E350-R402 IonicContact OE2-NH1 2.73Å; E350-R402 PolarHBondContact OE2-NH1 2.81Å; E350-R402 IonicContact OE2-NH2 3.92Å; E350-R402 PolarHBondContact OE2-NH2 3.18Å
351	I	98.1	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-50.9	177.2	-74.4	167.8	0	0	0	111.2	L346 S347 D348 K353 I354 K355 M459 K481	L346-I351 HydrophobicContact CB-CD1 4.11Å; L346-I351 HydrophobicContact CB-CG1 3.83Å; L346-I351 HydrophobicContact CD1-CG1 4.08Å; S347-I351 VanDerWaalsContact O-CG1 3.31Å; S347-I351 WeakPolarHBondContact O-CG1 3.25Å; S347-I351 PolarHBondContact O-N 3.25Å; D348-I351 PolarHBondContact O-N 3Å; I351-K353 VanDerWaalsContact C-N 3.32Å; I351-K353 PolarHBondContact O-N 3.1Å; I351-I354 PolarHBondContact O-N 3.35Å; I351-K355 HydrophobicContact CG2-CD 4.18Å; I351-K355 WeakPolarHBondContact O-CG 3.27Å; I351-K355 PolarHBondContact O-N 3.41Å; I351-M459 HydrophobicContact CG1-CB 4.31Å; I351-M459 HydrophobicContact CG1-CG 4.17Å; I351-M459 HydrophobicContact CG2-CB 3.91Å; I351-M459 HydrophobicContact CG2-CG 4.49Å; I351-M459 WeakPolarHBondContact CG2-O 3.32Å; I351-K481 HydrophobicContact CD1-CG 3.84Å
352	E	96.6	Very high	94.2	Very high	91 Å²	91	53.5 Å²	53.5	43%	0.425	26%	0.261	S	S	.	.	H	α-helix	trans	-66.7	-36.2	-178.1	-69.5	-51.5	123.5	0	0	111.6	D348 K355 E356	D348-E352 WeakPolarHBondContact O-CG 3.31Å; D348-E352 PolarHBondContact O-N 2.96Å; E352-K355 PolarHBondContact O-N 2.94Å; E352-K355 IonicContact OE1-NZ 3.93Å; E352-K355 PolarHBondContact OE1-NZ 2.88Å; E352-E356 WeakPolarHBondContact O-CB 3.41Å; E352-E356 PolarHBondContact O-N 3.25Å
353	K	96.9	Very high	93.1	Very high	56 Å²	56	55.2 Å²	55.2	24%	0.243	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-43.9	174.5	-172	55.9	176.4	178.4	0	112.3	E349 E350 I351 K355 E356 L357 D393 V395	E349-K353 WeakPolarHBondContact O-CB 3.37Å; E349-K353 PolarHBondContact O-N 3.39Å; E350-K353 PolarHBondContact O-N 2.98Å; I351-K353 VanDerWaalsContact C-N 3.32Å; I351-K353 PolarHBondContact O-N 3.1Å; K353-K355 VanDerWaalsContact C-N 3.33Å; K353-K355 PolarHBondContact O-N 3.14Å; K353-E356 WeakPolarHBondContact CD-OE2 3.38Å; K353-E356 IonicContact NZ-OE1 2.82Å; K353-E356 IonicContact NZ-OE2 3.5Å; K353-E356 PolarHBondContact NZ-OE2 2.92Å; K353-E356 WeakPolarHBondContact O-CB 3.24Å; K353-E356 PolarHBondContact O-N 3.4Å; K353-L357 HydrophobicContact CG-CD1 4.34Å; K353-L357 WeakPolarHBondContact O-CG 3.43Å; K353-L357 PolarHBondContact O-N 2.96Å; K353-L357 VanDerWaalsContact O-N 3.08Å; K353-D393 WeakPolarHBondContact CE-OD2 3.45Å; K353-V395 HydrophobicContact CB-CG2 4.2Å; K353-V395 HydrophobicContact CG-CB 4.35Å; K353-V395 HydrophobicContact CG-CG2 3.91Å
354	I	96.8	Very high	91.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-43.8	176.5	-68.5	164.8	0	0	0	110.5	E350 I351 L357 A358 L388 V395 I396 V399 L417 V419 M459	E350-I354 WeakPolarHBondContact O-CD1 3.22Å; E350-I354 WeakPolarHBondContact O-CG1 3.41Å; E350-I354 PolarHBondContact O-N 3.45Å; I351-I354 PolarHBondContact O-N 3.35Å; I354-L357 PolarHBondContact O-N 2.91Å; I354-A358 VanDerWaalsContact O-CB 3.3Å; I354-A358 WeakPolarHBondContact O-CB 3.29Å; I354-A358 PolarHBondContact O-N 2.99Å; I354-L388 HydrophobicContact CG2-CD1 4.06Å; I354-V395 HydrophobicContact CD1-CG1 4.35Å; I354-V395 HydrophobicContact CG1-CG1 4.09Å; I354-I396 HydrophobicContact CD1-CD1 4.49Å; I354-I396 HydrophobicContact CG1-CD1 3.69Å; I354-V399 HydrophobicContact CD1-CG2 4.4Å; I354-L417 HydrophobicContact CD1-CD2 4.43Å; I354-L417 HydrophobicContact CG2-CD2 4.4Å; I354-V419 HydrophobicContact CG2-CG2 3.52Å; I354-M459 HydrophobicContact CB-SD 4.14Å; I354-M459 HydrophobicContact CD1-SD 4.28Å; I354-M459 HydrophobicContact CG2-CE 3.94Å; I354-M459 HydrophobicContact CG2-SD 3.72Å
355	K	94	Very high	89.9	Confident	19 Å²	19	50.6 Å²	50.6	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-42.6	176.6	-71.8	176.2	-173.1	161.3	0	112.1	I351 E352 K353 L357 A358 K359 M459 W513	I351-K355 HydrophobicContact CG2-CD 4.18Å; I351-K355 WeakPolarHBondContact O-CG 3.27Å; I351-K355 PolarHBondContact O-N 3.41Å; E352-K355 PolarHBondContact O-N 2.94Å; E352-K355 IonicContact OE1-NZ 3.93Å; E352-K355 PolarHBondContact OE1-NZ 2.88Å; K353-K355 VanDerWaalsContact C-N 3.33Å; K353-K355 PolarHBondContact O-N 3.14Å; K355-L357 PolarHBondContact O-N 3.49Å; K355-A358 PolarHBondContact O-N 3.48Å; K355-K359 VanDerWaalsContact O-CG 3.27Å; K355-K359 WeakPolarHBondContact O-CG 3.35Å; K355-K359 PolarHBondContact O-N 3.2Å; K355-M459 VanDerWaalsContact CE-O 3.23Å; K355-M459 WeakPolarHBondContact CE-O 3.48Å; K355-M459 PolarHBondContact NZ-O 3.1Å; K355-W513 HydrophobicContact CD-CD2 4.25Å; K355-W513 HydrophobicContact CD-CG 4.43Å; K355-W513 HydrophobicContact CG-CD2 4.12Å; K355-W513 HydrophobicContact CG-CE3 3.9Å; K355-W513 HydrophobicContact CG-CZ3 4.17Å
356	E	93.3	Very high	88	Confident	115 Å²	115	54.6 Å²	54.6	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-56.3	-49	177	-172.5	-161.5	165.7	0	0	111.2	E352 K353 A358 P360	E352-E356 WeakPolarHBondContact O-CB 3.41Å; E352-E356 PolarHBondContact O-N 3.25Å; K353-E356 WeakPolarHBondContact CD-OE2 3.38Å; K353-E356 IonicContact NZ-OE1 2.82Å; K353-E356 IonicContact NZ-OE2 3.5Å; K353-E356 PolarHBondContact NZ-OE2 2.92Å; K353-E356 WeakPolarHBondContact O-CB 3.24Å; K353-E356 PolarHBondContact O-N 3.4Å; E356-A358 VanDerWaalsContact C-N 3.34Å; E356-A358 PolarHBondContact O-N 3.17Å; E356-P360 VanDerWaalsContact O-CD 3.23Å; E356-P360 WeakPolarHBondContact O-CD 3.38Å
357	L	93.3	Very high	85.7	Confident	32 Å²	32	55.7 Å²	55.7	17%	0.168	29%	0.288	C	S	.	.	H	α-helix	trans	-65.4	-36.1	178.5	-65.4	170.5	0	0	0	112.4	K353 I354 K355 L388 D393 I396	K353-L357 HydrophobicContact CG-CD1 4.34Å; K353-L357 WeakPolarHBondContact O-CG 3.43Å; K353-L357 PolarHBondContact O-N 2.96Å; K353-L357 VanDerWaalsContact O-N 3.08Å; I354-L357 PolarHBondContact O-N 2.91Å; K355-L357 PolarHBondContact O-N 3.49Å; L357-L388 HydrophobicContact CB-CD1 4.04Å; L357-L388 HydrophobicContact CB-CD2 3.98Å; L357-D393 HydrophobicContact CD1-CB 3.67Å; L357-I396 HydrophobicContact CD1-CD1 4.35Å; L357-I396 HydrophobicContact CD1-CG1 4.4Å
358	A	91.6	Very high	83	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-77.2	-41	-176.8	0	0	0	0	0	113.9	I354 K355 E356 P360 R361 L362 A386 V419	I354-A358 VanDerWaalsContact O-CB 3.3Å; I354-A358 WeakPolarHBondContact O-CB 3.29Å; I354-A358 PolarHBondContact O-N 2.99Å; K355-A358 PolarHBondContact O-N 3.48Å; E356-A358 VanDerWaalsContact C-N 3.34Å; E356-A358 PolarHBondContact O-N 3.17Å; A358-P360 VanDerWaalsContact C-CD 3.48Å; A358-R361 CarbonylContact O-C 3.55Å; A358-R361 PolarHBondContact O-N 3.2Å; A358-L362 PolarHBondContact O-N 3.41Å; A358-L362 VanDerWaalsContact O-N 3.16Å; A358-A386 HydrophobicContact CB-CB 3.97Å; A358-V419 HydrophobicContact CB-CB 3.73Å; A358-V419 HydrophobicContact CB-CG1 3.56Å; A358-V419 HydrophobicContact CB-CG2 4.02Å
359	K	87.3	Confident	80.6	Confident	115 Å²	115	60 Å²	60	50%	0.5	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-44.3	-50.8	-175.4	-84.6	174.4	-175	-176.8	0	114.7	K355 R361 L362 W513	K355-K359 VanDerWaalsContact O-CG 3.27Å; K355-K359 WeakPolarHBondContact O-CG 3.35Å; K355-K359 PolarHBondContact O-N 3.2Å; K359-R361 PolarHBondContact O-N 2.93Å; K359-L362 PolarHBondContact O-N 3.46Å; K359-W513 HydrophobicContact CG-CH2 4.09Å
360	P	85.9	Confident	77.8	Confident	109 Å²	109	59.6 Å²	59.6	71%	0.708	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-69.7	-13.7	-178.2	27.3	-35.4	0	0	0	114.1	E356 A358	E356-P360 VanDerWaalsContact O-CD 3.23Å; E356-P360 WeakPolarHBondContact O-CD 3.38Å; A358-P360 VanDerWaalsContact C-CD 3.48Å
361	R	85.6	Confident	75.3	Confident	117 Å²	117	68.2 Å²	68.2	44%	0.442	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-109.4	0	-177.3	-56.6	-176.9	-168.2	169.2	10.1	113.4	A358 K359 A363 A386 W387 E392	A358-R361 CarbonylContact O-C 3.55Å; A358-R361 PolarHBondContact O-N 3.2Å; K359-R361 PolarHBondContact O-N 2.93Å; R361-A363 PolarHBondContact O-N 2.93Å; R361-A386 HydrophobicContact CB-CB 3.86Å; R361-W387 PolarHBondContact NH1-O 2.98Å; R361-E392 IonicContact CZ-OE1 3.6Å; R361-E392 IonicContact CZ-OE2 3.62Å; R361-E392 IonicContact NH1-OE1 3.57Å; R361-E392 PolarHBondContact NH1-OE1 3.06Å; R361-E392 IonicContact NH1-OE2 2.85Å; R361-E392 PolarHBondContact NH1-OE2 3.33Å; R361-E392 IonicContact NH2-OE1 2.71Å; R361-E392 IonicContact NH2-OE2 2.73Å; R361-E392 PolarHBondContact NH2-OE2 3.18Å
362	L	80.9	Confident	73	Confident	22 Å²	22	72.4 Å²	72.4	12%	0.115	37%	0.367	C	S	.	.			trans	-64.2	104.9	179.9	-78.7	179.7	0	0	0	110.4	A358 K359 K384 A386 N421 W513	A358-L362 PolarHBondContact O-N 3.41Å; A358-L362 VanDerWaalsContact O-N 3.16Å; K359-L362 PolarHBondContact O-N 3.46Å; L362-K384 HydrophobicContact CB-CB 3.9Å; L362-K384 HydrophobicContact CB-CD 4.31Å; L362-K384 HydrophobicContact CD2-CB 4.04Å; L362-K384 HydrophobicContact CG-CB 4.42Å; L362-A386 HydrophobicContact CD2-CB 4.12Å; L362-N421 HydrophobicContact CD1-CB 4.28Å; L362-W513 HydrophobicContact CD1-CH2 3.57Å; L362-W513 HydrophobicContact CD1-CZ2 4.5Å; L362-W513 HydrophobicContact CD1-CZ3 4Å
363	A	74.3	Confident	70.2	Confident	44 Å²	44	69.5 Å²	69.5	36%	0.364	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	150.4	174.3	0	0	0	0	0	110.3	R361 A365 K384 S385	R361-A363 PolarHBondContact O-N 2.93Å; A363-A365 PolarHBondContact O-N 3.26Å; A363-K384 CarbonylContact O-C 3.6Å; A363-K384 VanDerWaalsContact O-CA 3.25Å; A363-K384 WeakPolarHBondContact O-CA 3.47Å; A363-S385 PolarHBondContact N-O 3.26Å; A363-S385 VanDerWaalsContact N-O 3.11Å; A363-S385 PolarHBondContact O-N 2.89Å
364	R	68.1	Low	67.9	Low	25 Å²	25	71 Å²	71	9%	0.094	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	135.5	170.1	-86	-88.4	-97	140.8	-6.1	108.6	E22 T366 T377	E22-R364 HydrophobicContact CB-CG 4.48Å; E22-R364 VanDerWaalsContact CD-NE 3.32Å; E22-R364 IonicContact OE1-CZ 2.85Å; E22-R364 IonicContact OE1-NE 2.83Å; E22-R364 IonicContact OE1-NH2 3.9Å; E22-R364 PolarHBondContact OE1-NH2 3.07Å; E22-R364 IonicContact OE2-CZ 3.21Å; E22-R364 IonicContact OE2-NE 3.7Å; E22-R364 PolarHBondContact OE2-NE 2.64Å; E22-R364 IonicContact OE2-NH1 3.15Å; E22-R364 IonicContact OE2-NH2 2.87Å; E22-R364 PolarHBondContact OE2-NH2 3.08Å; R364-T366 PolarHBondContact O-N 3.34Å; R364-T377 VanDerWaalsContact NH2-CB 3.31Å
365	A	58.8	Low	65.3	Low	19 Å²	19	76.7 Å²	76.7	16%	0.157	40%	0.404	C	S	.	.			trans	-63.9	110.4	170	0	0	0	0	0	108.9	A363 R381 S383	A363-A365 PolarHBondContact O-N 3.26Å; A365-R381 HydrophobicContact CB-CG 4.48Å; A365-S383 PolarHBondContact N-O 3.24Å
366	T	55.6	Low	63.1	Low	83 Å²	83	78.2 Å²	78.2	51%	0.509	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.8	172.5	53.6	0	0	0	0	109.4	R364	R364-T366 PolarHBondContact O-N 3.34Å
367	V	50.8	Low	61.3	Low	31 Å²	31	75.2 Å²	75.2	19%	0.188	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.1	176.8	-63.2	0	0	0	0	108.3	D369 L375 T376 A378 Y380	V367-D369 PolarHBondContact O-N 3.26Å; V367-L375 CarbonylContact O-C 3.58Å; V367-L375 WeakPolarHBondContact O-CA 2.98Å; V367-T376 WeakPolarHBondContact CG2-O 3.03Å; V367-T376 PolarHBondContact N-O 3.09Å; V367-T376 PolarHBondContact O-N 2.91Å; V367-T376 VanDerWaalsContact O-O 3.11Å; V367-A378 HydrophobicContact CB-CB 4.14Å; V367-A378 HydrophobicContact CG1-CB 3.54Å; V367-A378 HydrophobicContact CG2-CB 3.47Å; V367-A378 VanDerWaalsContact CG2-CB 3.47Å; V367-Y380 HydrophobicContact CG1-CE1 4.15Å; V367-Y380 WeakPolarHBondContact CG1-OH 3.18Å; V367-Y380 HydrophobicContact CG2-CE1 4.19Å
368	R	40.7	Very low	59.5	Low	188 Å²	188	73.8 Å²	73.8	71%	0.709	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	114.6	173.8	-164.8	173.7	-178.1	-137.7	0.3	107.8	P370 G373 L375	R368-P370 WeakPolarHBondContact O-CD 3.49Å; R368-G373 WeakPolarHBondContact CG-O 3.37Å; R368-G373 PolarHBondContact NE-O 3.39Å; R368-G373 VanDerWaalsContact NE-O 3.12Å; R368-L375 HydrophobicContact CB-CD2 4.46Å
369	D	47.2	Very low	57.9	Low	35 Å²	35	79.5 Å²	79.5	19%	0.187	43%	0.429	C	S	.	.			trans	-55.7	121.7	176	-180	-33.1	0	0	0	109.1	V367 K371 T372 G373 V374 T376	V367-D369 PolarHBondContact O-N 3.26Å; D369-K371 PolarHBondContact O-N 3.48Å; D369-K371 WeakPolarHBondContact OD1-CA 3.43Å; D369-K371 WeakPolarHBondContact OD1-CB 3.46Å; D369-K371 PolarHBondContact OD1-N 2.89Å; D369-T372 WeakPolarHBondContact CB-OG1 3.49Å; D369-T372 PolarHBondContact OD1-N 3.2Å; D369-T372 PolarHBondContact OD2-OG1 3.01Å; D369-G373 VanDerWaalsContact O-CA 3.22Å; D369-G373 WeakPolarHBondContact O-CA 3.46Å; D369-G373 PolarHBondContact O-N 3.49Å; D369-V374 WeakPolarHBondContact CB-O 3.49Å; D369-V374 PolarHBondContact N-O 2.89Å; D369-T376 HydrophobicContact CB-CG2 4.11Å
370	P	40.3	Very low	56.5	Low	135 Å²	135	78.6 Å²	78.6	88%	0.877	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-19.9	-176.7	24.8	-32	0	0	0	113.6	R368	R368-P370 WeakPolarHBondContact O-CD 3.49Å
371	K	44.8	Very low	55.2	Low	197 Å²	197	74.4 Å²	74.4	86%	0.857	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-45.3	177.1	-64.2	-178.4	-179.8	177	0	112.3	D369	D369-K371 PolarHBondContact O-N 3.48Å; D369-K371 WeakPolarHBondContact OD1-CA 3.43Å; D369-K371 WeakPolarHBondContact OD1-CB 3.46Å; D369-K371 PolarHBondContact OD1-N 2.89Å
372	T	49.3	Very low	54.6	Low	88 Å²	88	69.3 Å²	69.3	54%	0.54	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-18.3	-172.5	67.8	0	0	0	0	113.4	D369 V374	D369-T372 WeakPolarHBondContact CB-OG1 3.49Å; D369-T372 PolarHBondContact OD1-N 3.2Å; D369-T372 PolarHBondContact OD2-OG1 3.01Å; T372-V374 PolarHBondContact O-N 2.99Å
373	G	38.8	Very low	54.2	Low	30 Å²	30	68.3 Å²	68.3	31%	0.309	37%	0.369	S	S	.	.			trans	71.8	-0.4	-178.3	0	0	0	0	0	114.7	R368 D369	R368-G373 WeakPolarHBondContact CG-O 3.37Å; R368-G373 PolarHBondContact NE-O 3.39Å; R368-G373 VanDerWaalsContact NE-O 3.12Å; D369-G373 VanDerWaalsContact O-CA 3.22Å; D369-G373 WeakPolarHBondContact O-CA 3.46Å; D369-G373 PolarHBondContact O-N 3.49Å
374	V	48.7	Very low	54.4	Low	88 Å²	88	66.3 Å²	66.3	53%	0.533	35%	0.353	S	S	.	.	S	Bend	trans	-80.8	144.9	177.3	-179.6	0	0	0	0	109.5	D369 T372 T376	D369-V374 WeakPolarHBondContact CB-O 3.49Å; D369-V374 PolarHBondContact N-O 2.89Å; T372-V374 PolarHBondContact O-N 2.99Å; V374-T376 PolarHBondContact O-N 3.18Å
375	L	41.4	Very low	55.1	Low	118 Å²	118	65.8 Å²	65.8	62%	0.618	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	108.8	170	-71.9	169.7	0	0	0	108.4	V367 R368	V367-L375 CarbonylContact O-C 3.58Å; V367-L375 WeakPolarHBondContact O-CA 2.98Å; R368-L375 HydrophobicContact CB-CD2 4.46Å
376	T	48.3	Very low	56.5	Low	52 Å²	52	65 Å²	65	32%	0.319	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	155	175.4	56	0	0	0	0	110	V367 D369 V374 A378	V367-T376 WeakPolarHBondContact CG2-O 3.03Å; V367-T376 PolarHBondContact N-O 3.09Å; V367-T376 PolarHBondContact O-N 2.91Å; V367-T376 VanDerWaalsContact O-O 3.11Å; D369-T376 HydrophobicContact CB-CG2 4.11Å; V374-T376 PolarHBondContact O-N 3.18Å; T376-A378 PolarHBondContact O-N 3.35Å
377	T	55.5	Low	58.1	Low	51 Å²	51	65.9 Å²	65.9	31%	0.313	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.5	171.3	43.1	0	0	0	0	109.1	R364 N379	R364-T377 VanDerWaalsContact NH2-CB 3.31Å; T377-N379 PolarHBondContact O-N 3.42Å
378	A	54.6	Low	60	Low	3 Å²	3	64.5 Å²	64.5	3%	0.025	33%	0.331	C	S	.	.			trans	-78	117.6	-178.9	0	0	0	0	0	110.4	V367 T376 Y380 R381	V367-A378 HydrophobicContact CB-CB 4.14Å; V367-A378 HydrophobicContact CG1-CB 3.54Å; V367-A378 HydrophobicContact CG2-CB 3.47Å; V367-A378 VanDerWaalsContact CG2-CB 3.47Å; T376-A378 PolarHBondContact O-N 3.35Å; A378-Y380 HydrophobicContact CB-CD1 3.72Å; A378-Y380 HydrophobicContact CB-CD2 4.41Å; A378-Y380 HydrophobicContact CB-CE1 3.57Å; A378-Y380 HydrophobicContact CB-CE2 4.27Å; A378-Y380 HydrophobicContact CB-CG 4.16Å; A378-Y380 PolarHBondContact O-N 2.89Å; A378-R381 HydrophobicContact CB-CB 4.43Å; A378-R381 CarbonylContact O-C 3.44Å; A378-R381 PolarHBondContact O-N 3.48Å; A378-R381 VanDerWaalsContact O-O 3.09Å
379	N	59.3	Low	62.3	Low	120 Å²	120	60.1 Å²	60.1	64%	0.642	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.4	171.3	-70.1	-23.3	0	0	0	112.1	R138 T377	R138-N379 PolarHBondContact NH2-O 3.17Å; T377-N379 PolarHBondContact O-N 3.42Å
380	Y	57.8	Low	63.9	Low	95 Å²	95	59.3 Å²	59.3	37%	0.373	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-16.1	-179.9	70.2	-102.5	0	0	0	114.3	V367 A378 Y428 E429	V367-Y380 HydrophobicContact CG1-CE1 4.15Å; V367-Y380 WeakPolarHBondContact CG1-OH 3.18Å; V367-Y380 HydrophobicContact CG2-CE1 4.19Å; A378-Y380 HydrophobicContact CB-CD1 3.72Å; A378-Y380 HydrophobicContact CB-CD2 4.41Å; A378-Y380 HydrophobicContact CB-CE1 3.57Å; A378-Y380 HydrophobicContact CB-CE2 4.27Å; A378-Y380 HydrophobicContact CB-CG 4.16Å; A378-Y380 PolarHBondContact O-N 2.89Å; Y380-Y428 HydrophobicContact CD2-CE2 4.25Å; Y380-Y428 HydrophobicContact CE2-CE2 4.21Å; Y380-E429 WeakPolarHBondContact CB-OE2 3.18Å; Y380-E429 WeakPolarHBondContact O-CG 3.49Å; Y380-E429 PolarHBondContact O-N 2.95Å
381	R	58.5	Low	66.1	Low	22 Å²	22	61.9 Å²	61.9	8%	0.083	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-134.3	101.4	176.6	-173.7	-175.5	-180	163.2	3.1	110.4	A365 A378 S383 S385 Y428	A365-R381 HydrophobicContact CB-CG 4.48Å; A378-R381 HydrophobicContact CB-CB 4.43Å; A378-R381 CarbonylContact O-C 3.44Å; A378-R381 PolarHBondContact O-N 3.48Å; A378-R381 VanDerWaalsContact O-O 3.09Å; R381-S383 PolarHBondContact NE-OG 3.29Å; R381-S383 PolarHBondContact O-N 3.42Å; R381-S385 PolarHBondContact NH2-OG 3.48Å; R381-S385 VanDerWaalsContact NH2-OG 3.11Å; R381-Y428 HydrophobicContact CB-CD2 4.23Å; R381-Y428 HydrophobicContact CB-CE2 4.36Å; R381-Y428 HydrophobicContact CB-CG 4.32Å; R381-Y428 HydrophobicContact CG-CD1 3.71Å; R381-Y428 HydrophobicContact CG-CD2 4.24Å; R381-Y428 HydrophobicContact CG-CE1 3.97Å; R381-Y428 HydrophobicContact CG-CE2 4.44Å; R381-Y428 HydrophobicContact CG-CG 3.86Å; R381-Y428 VanDerWaalsContact NE-CE1 3.34Å; R381-Y428 VanDerWaalsContact NH1-CE1 3.27Å
382	V	72.9	Confident	68.2	Low	10 Å²	10	55.3 Å²	55.3	6%	0.061	29%	0.292	C	S	.	.			trans	-104.2	81	179.4	-175.4	0	0	0	0	108.3	F24 T25 G426 Q427	F24-V382 HydrophobicContact CE2-CG1 4.22Å; T25-V382 HydrophobicContact CG2-CG1 3.6Å; V382-G426 CarbonylContact O-C 3.55Å; V382-G426 WeakPolarHBondContact O-CA 3.43Å; V382-Q427 PolarHBondContact N-O 2.8Å; V382-Q427 PolarHBondContact O-N 2.87Å
383	S	73.5	Confident	70.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.			trans	-150.2	156	177.9	68.9	0	0	0	0	110.9	A365 R381 N421	A365-S383 PolarHBondContact N-O 3.24Å; R381-S383 PolarHBondContact NE-OG 3.29Å; R381-S383 PolarHBondContact O-N 3.42Å; S383-N421 WeakPolarHBondContact CA-O 3.35Å
384	K	77.1	Confident	73.1	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	140.2	161.5	-58.4	-164.6	-176.4	-165	0	110.3	G21 E22 T25 L362 A363 A420 N421	G21-K384 PolarHBondContact O-NZ 2.72Å; E22-K384 WeakPolarHBondContact O-CE 3.49Å; E22-K384 PolarHBondContact O-NZ 2.78Å; T25-K384 WeakPolarHBondContact OG1-CE 3.47Å; L362-K384 HydrophobicContact CB-CB 3.9Å; L362-K384 HydrophobicContact CB-CD 4.31Å; L362-K384 HydrophobicContact CD2-CB 4.04Å; L362-K384 HydrophobicContact CG-CB 4.42Å; A363-K384 CarbonylContact O-C 3.6Å; A363-K384 VanDerWaalsContact O-CA 3.25Å; A363-K384 WeakPolarHBondContact O-CA 3.47Å; K384-A420 CarbonylContact O-C 3.58Å; K384-A420 VanDerWaalsContact O-CA 3.29Å; K384-A420 WeakPolarHBondContact O-CA 3.35Å; K384-N421 PolarHBondContact N-O 3.18Å; K384-N421 PolarHBondContact O-N 2.9Å
385	S	83.8	Confident	75.4	Confident	13 Å²	13	51.6 Å²	51.6	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.8	179.8	-59.7	0	0	0	0	111.5	A363 R381 V419	A363-S385 PolarHBondContact N-O 3.26Å; A363-S385 VanDerWaalsContact N-O 3.11Å; A363-S385 PolarHBondContact O-N 2.89Å; R381-S385 PolarHBondContact NH2-OG 3.48Å; R381-S385 VanDerWaalsContact NH2-OG 3.11Å; S385-V419 CarbonylContact C-O 3.47Å; S385-V419 WeakPolarHBondContact CA-O 3.34Å
386	A	86.9	Confident	78	Confident	2 Å²	2	46 Å²	46	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.5	169.3	0	0	0	0	0	108.8	A358 R361 L362 Q418 V419	A358-A386 HydrophobicContact CB-CB 3.97Å; R361-A386 HydrophobicContact CB-CB 3.86Å; L362-A386 HydrophobicContact CD2-CB 4.12Å; A386-Q418 CarbonylContact O-C 3.54Å; A386-Q418 WeakPolarHBondContact O-CA 3.48Å; A386-V419 PolarHBondContact N-O 2.77Å; A386-V419 PolarHBondContact O-N 3.43Å
387	W	89.4	Confident	80.3	Confident	103 Å²	103	48 Å²	48	39%	0.39	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.2	177.5	-61.9	92.8	0	0	0	109	R361 E415 L416 Q418 W518	R361-W387 PolarHBondContact NH1-O 2.98Å; W387-E415 WeakPolarHBondContact CH2-OE2 3.38Å; W387-E415 HydrophobicContact CZ3-CB 4.25Å; W387-L416 HydrophobicContact CB-CB 4.23Å; W387-L416 HydrophobicContact CB-CD1 4.12Å; W387-L416 HydrophobicContact CE3-CB 3.87Å; W387-Q418 HydrophobicContact CD2-CB 4.19Å; W387-Q418 HydrophobicContact CD2-CG 4.34Å; W387-Q418 HydrophobicContact CE3-CB 3.65Å; W387-Q418 HydrophobicContact CE3-CG 4.28Å; W387-Q418 HydrophobicContact CH2-CB 4.23Å; W387-Q418 HydrophobicContact CZ2-CG 4.43Å; W387-Q418 HydrophobicContact CZ3-CB 3.7Å; W387-Q418 HydrophobicContact CZ3-CG 4.38Å; W387-W518 AromaticContact CH2-CE3 3.98Å; W387-W518 HydrophobicContact CH2-CE3 3.98Å; W387-W518 HydrophobicContact CH2-CH2 4.43Å; W387-W518 AromaticContact CH2-CZ3 3.38Å; W387-W518 HydrophobicContact CH2-CZ3 3.38Å; W387-W518 HydrophobicContact CZ2-CZ3 4.28Å; W387-W518 HydrophobicContact CZ3-CE3 4.09Å; W387-W518 AromaticContact CZ3-CZ3 3.77Å; W387-W518 HydrophobicContact CZ3-CZ3 3.77Å
388	L	90.4	Very high	82.2	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.3	-177.3	-55.5	179.5	0	0	0	110	I354 L357 I396 L417 V419	I354-L388 HydrophobicContact CG2-CD1 4.06Å; L357-L388 HydrophobicContact CB-CD1 4.04Å; L357-L388 HydrophobicContact CB-CD2 3.98Å; L388-I396 HydrophobicContact CB-CD1 4.44Å; L388-I396 HydrophobicContact CD1-CD1 3.91Å; L388-L417 HydrophobicContact CB-CB 4.46Å; L388-L417 PolarHBondContact N-O 2.85Å; L388-L417 PolarHBondContact O-N 3.41Å; L388-V419 HydrophobicContact CD1-CG2 3.77Å; L388-V419 HydrophobicContact CG-CG2 4.27Å
389	E	89.5	Confident	84.2	Confident	97 Å²	97	51.2 Å²	51.2	45%	0.453	25%	0.246	S	C	.	.			trans	-82.8	152.4	174.2	-48	-179	179.2	0	0	111.4	E391 E392 L416	E389-E391 VanDerWaalsContact C-N 3.26Å; E389-E391 PolarHBondContact O-N 3.11Å; E389-E392 HydrophobicContact CB-CG 3.99Å; E389-E392 PolarHBondContact N-OE1 3.31Å; E389-E392 WeakPolarHBondContact O-CB 3.28Å; E389-E392 PolarHBondContact O-N 2.91Å; E389-L416 HydrophobicContact CB-CD2 4.16Å; E389-L416 HydrophobicContact CG-CD1 3.71Å; E389-L416 HydrophobicContact CG-CD2 3.72Å; E389-L416 HydrophobicContact CG-CG 4.31Å
390	G	81.3	Confident	86	Confident	18 Å²	18	45.9 Å²	45.9	19%	0.186	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-63	-33.8	-179.7	0	0	0	0	0	113.1	E392	G390-E392 PolarHBondContact O-N 2.86Å
391	E	86.3	Confident	87.8	Confident	188 Å²	188	44 Å²	44	88%	0.879	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-73.2	-13.8	-178.2	-59.7	-179.3	-178.6	0	0	113.3	E389	E389-E391 VanDerWaalsContact C-N 3.26Å; E389-E391 PolarHBondContact O-N 3.11Å
392	E	87.8	Confident	89.6	Confident	60 Å²	60	45.7 Å²	45.7	28%	0.28	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-70.7	-36.9	-176.9	-66.8	-176.4	-148.8	0	0	113.3	R361 E389 G390	R361-E392 IonicContact CZ-OE1 3.6Å; R361-E392 IonicContact CZ-OE2 3.62Å; R361-E392 IonicContact NH1-OE1 3.57Å; R361-E392 PolarHBondContact NH1-OE1 3.06Å; R361-E392 IonicContact NH1-OE2 2.85Å; R361-E392 PolarHBondContact NH1-OE2 3.33Å; R361-E392 IonicContact NH2-OE1 2.71Å; R361-E392 IonicContact NH2-OE2 2.73Å; R361-E392 PolarHBondContact NH2-OE2 3.18Å; E389-E392 HydrophobicContact CB-CG 3.99Å; E389-E392 PolarHBondContact N-OE1 3.31Å; E389-E392 WeakPolarHBondContact O-CB 3.28Å; E389-E392 PolarHBondContact O-N 2.91Å; G390-E392 PolarHBondContact O-N 2.86Å
393	D	95.3	Very high	90.8	Very high	29 Å²	29	45.2 Å²	45.2	16%	0.155	22%	0.215	C	C	.	.			trans	-154.2	136.3	-179.8	-167.8	-69.1	0	0	0	111	K353 L357 V395 I396 E397	K353-D393 WeakPolarHBondContact CE-OD2 3.45Å; L357-D393 HydrophobicContact CD1-CB 3.67Å; D393-V395 PolarHBondContact O-N 2.93Å; D393-V395 VanDerWaalsContact OD1-CB 3.28Å; D393-V395 WeakPolarHBondContact OD1-CB 3.47Å; D393-V395 WeakPolarHBondContact OD1-CG2 3.38Å; D393-V395 PolarHBondContact OD1-N 3.19Å; D393-I396 HydrophobicContact CB-CG1 4.29Å; D393-I396 PolarHBondContact O-N 3.38Å; D393-E397 PolarHBondContact O-N 2.88Å
394	P	96.8	Very high	91.9	Very high	87 Å²	87	46.8 Å²	46.8	57%	0.565	22%	0.223	S	C	*	.	H	α-helix	trans	-53.7	-24	175.8	-27.6	35.4	0	0	0	115	R398	P394-R398 WeakPolarHBondContact O-CB 3.39Å; P394-R398 VanDerWaalsContact O-CG 3.28Å; P394-R398 WeakPolarHBondContact O-CG 3.29Å; P394-R398 PolarHBondContact O-N 3.31Å; P394-R398 PolarHBondContact O-NH1 3.4Å
395	V	97.3	Very high	92.8	Very high	11 Å²	11	47.3 Å²	47.3	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-47.4	172.1	170.8	0	0	0	0	110.9	E350 K353 I354 D393 E397 R398 V399	E350-V395 HydrophobicContact CB-CG1 3.95Å; E350-V395 HydrophobicContact CG-CG1 4.03Å; K353-V395 HydrophobicContact CB-CG2 4.2Å; K353-V395 HydrophobicContact CG-CB 4.35Å; K353-V395 HydrophobicContact CG-CG2 3.91Å; I354-V395 HydrophobicContact CD1-CG1 4.35Å; I354-V395 HydrophobicContact CG1-CG1 4.09Å; D393-V395 PolarHBondContact O-N 2.93Å; D393-V395 VanDerWaalsContact OD1-CB 3.28Å; D393-V395 WeakPolarHBondContact OD1-CB 3.47Å; D393-V395 WeakPolarHBondContact OD1-CG2 3.38Å; D393-V395 PolarHBondContact OD1-N 3.19Å; V395-E397 VanDerWaalsContact C-N 3.3Å; V395-E397 PolarHBondContact O-N 3.31Å; V395-R398 PolarHBondContact O-N 3.18Å; V395-V399 WeakPolarHBondContact O-CG2 3.3Å; V395-V399 PolarHBondContact O-N 3.41Å
396	I	96.2	Very high	93.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-43	-177.8	-51.4	-54.5	0	0	0	109.7	I354 L357 L388 D393 V399 N400 L417	I354-I396 HydrophobicContact CD1-CD1 4.49Å; I354-I396 HydrophobicContact CG1-CD1 3.69Å; L357-I396 HydrophobicContact CD1-CD1 4.35Å; L357-I396 HydrophobicContact CD1-CG1 4.4Å; L388-I396 HydrophobicContact CB-CD1 4.44Å; L388-I396 HydrophobicContact CD1-CD1 3.91Å; D393-I396 HydrophobicContact CB-CG1 4.29Å; D393-I396 PolarHBondContact O-N 3.38Å; I396-V399 PolarHBondContact O-N 3.5Å; I396-N400 PolarHBondContact O-N 2.88Å; I396-L417 HydrophobicContact CD1-CD2 4.05Å; I396-L417 HydrophobicContact CG2-CB 4.35Å; I396-L417 HydrophobicContact CG2-CD2 4.33Å
397	E	95.7	Very high	93.7	Very high	95 Å²	95	47.2 Å²	47.2	44%	0.444	22%	0.224	S	C	.	.	H	α-helix	trans	-65.6	-39.7	178.3	-171.3	54.4	-157.4	0	0	112.7	D393 V395 V399 N400 Q401	D393-E397 PolarHBondContact O-N 2.88Å; V395-E397 VanDerWaalsContact C-N 3.3Å; V395-E397 PolarHBondContact O-N 3.31Å; E397-V399 VanDerWaalsContact C-N 3.31Å; E397-V399 PolarHBondContact O-N 2.6Å; E397-N400 PolarHBondContact O-N 3.04Å; E397-Q401 WeakPolarHBondContact O-CB 2.96Å; E397-Q401 PolarHBondContact O-N 2.73Å
398	R	96.1	Very high	94	Very high	122 Å²	122	42.9 Å²	42.9	46%	0.46	21%	0.212	S	C	.	.	H	α-helix	trans	-61.8	-38.8	172.8	-76.5	-169.4	-52.4	-91.7	9.6	112.5	E350 P394 V395 R402	E350-R398 IonicContact OE1-NE 2.96Å; P394-R398 WeakPolarHBondContact O-CB 3.39Å; P394-R398 VanDerWaalsContact O-CG 3.28Å; P394-R398 WeakPolarHBondContact O-CG 3.29Å; P394-R398 PolarHBondContact O-N 3.31Å; P394-R398 PolarHBondContact O-NH1 3.4Å; V395-R398 PolarHBondContact O-N 3.18Å; R398-R402 WeakPolarHBondContact O-CB 3.29Å; R398-R402 PolarHBondContact O-N 3.37Å
399	V	97	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-45.8	176.2	172.4	0	0	0	0	110.7	L346 I354 V395 I396 E397 Q401 R402 I403	L346-V399 HydrophobicContact CD2-CB 4.44Å; L346-V399 HydrophobicContact CD2-CG1 4.01Å; L346-V399 HydrophobicContact CD2-CG2 3.52Å; I354-V399 HydrophobicContact CD1-CG2 4.4Å; V395-V399 WeakPolarHBondContact O-CG2 3.3Å; V395-V399 PolarHBondContact O-N 3.41Å; I396-V399 PolarHBondContact O-N 3.5Å; E397-V399 VanDerWaalsContact C-N 3.31Å; E397-V399 PolarHBondContact O-N 2.6Å; V399-Q401 PolarHBondContact O-N 2.98Å; V399-R402 WeakPolarHBondContact O-CB 3.48Å; V399-R402 PolarHBondContact O-N 3.18Å; V399-I403 HydrophobicContact CG1-CD1 4.06Å; V399-I403 WeakPolarHBondContact O-CG1 3.29Å; V399-I403 PolarHBondContact O-N 2.93Å
400	N	96.8	Very high	94.5	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.043	19%	0.192	C	C	.	.	H	α-helix	trans	-55.9	-48.8	174.6	-76.3	-25.4	0	0	0	111.6	I396 E397 R402 I403 E404 V411 K517	I396-N400 PolarHBondContact O-N 2.88Å; E397-N400 PolarHBondContact O-N 3.04Å; N400-R402 VanDerWaalsContact C-N 3.31Å; N400-R402 PolarHBondContact O-N 3.29Å; N400-I403 WeakPolarHBondContact O-CB 3.38Å; N400-I403 PolarHBondContact O-N 3.12Å; N400-E404 PolarHBondContact O-N 3.34Å; N400-V411 HydrophobicContact CB-CG2 3.88Å; N400-K517 WeakPolarHBondContact OD1-CE 3.36Å; N400-K517 PolarHBondContact OD1-NZ 2.74Å
401	Q	95.9	Very high	95.1	Very high	55 Å²	55	38.4 Å²	38.4	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-61.5	-39.6	178.2	-178.6	63.5	93.6	0	0	112.1	R322 E397 V399 E404 D405	R322-Q401 VanDerWaalsContact NH1-NE2 3.13Å; E397-Q401 WeakPolarHBondContact O-CB 2.96Å; E397-Q401 PolarHBondContact O-N 2.73Å; V399-Q401 PolarHBondContact O-N 2.98Å; Q401-E404 PolarHBondContact O-N 2.88Å; Q401-D405 PolarHBondContact NE2-OD1 2.84Å; Q401-D405 PolarHBondContact O-N 2.9Å
402	R	96.5	Very high	95.4	Very high	58 Å²	58	37.6 Å²	37.6	22%	0.219	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-40	176.6	-167.5	-176.7	-58.3	135.2	6.5	111.6	M345 E350 R398 V399 N400 E404 D405 I406	M345-R402 HydrophobicContact CE-CB 3.86Å; M345-R402 HydrophobicContact CE-CG 3.62Å; M345-R402 WeakPolarHBondContact O-CD 3.36Å; M345-R402 PolarHBondContact O-NH1 3.36Å; M345-R402 WeakPolarHBondContact SD-CD 3.46Å; M345-R402 HydrophobicContact SD-CG 3.76Å; E350-R402 IonicContact OE1-CZ 3.28Å; E350-R402 IonicContact OE1-NH1 2.71Å; E350-R402 IonicContact OE1-NH2 2.64Å; E350-R402 PolarHBondContact OE1-NH2 2.81Å; E350-R402 IonicContact OE2-CZ 3.91Å; E350-R402 IonicContact OE2-NH1 2.73Å; E350-R402 PolarHBondContact OE2-NH1 2.81Å; E350-R402 IonicContact OE2-NH2 3.92Å; E350-R402 PolarHBondContact OE2-NH2 3.18Å; R398-R402 WeakPolarHBondContact O-CB 3.29Å; R398-R402 PolarHBondContact O-N 3.37Å; V399-R402 WeakPolarHBondContact O-CB 3.48Å; V399-R402 PolarHBondContact O-N 3.18Å; N400-R402 VanDerWaalsContact C-N 3.31Å; N400-R402 PolarHBondContact O-N 3.29Å; R402-E404 VanDerWaalsContact C-N 3.34Å; R402-D405 PolarHBondContact O-N 2.67Å; R402-I406 VanDerWaalsContact O-CG1 3.27Å; R402-I406 WeakPolarHBondContact O-CG1 3.27Å; R402-I406 WeakPolarHBondContact O-CG2 3.48Å; R402-I406 PolarHBondContact O-N 3.48Å; R402-I406 VanDerWaalsContact O-N 3.07Å
403	I	96.8	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-42.6	173.7	-66.6	168.1	0	0	0	110.6	M345 V399 N400 I406 T407 V411 F455 K517 I519	M345-I403 HydrophobicContact CE-CG1 3.63Å; V399-I403 HydrophobicContact CG1-CD1 4.06Å; V399-I403 WeakPolarHBondContact O-CG1 3.29Å; V399-I403 PolarHBondContact O-N 2.93Å; N400-I403 WeakPolarHBondContact O-CB 3.38Å; N400-I403 PolarHBondContact O-N 3.12Å; I403-I406 WeakPolarHBondContact O-CG1 3.39Å; I403-T407 HydrophobicContact CG2-CG2 4.35Å; I403-T407 WeakPolarHBondContact O-CB 3.49Å; I403-T407 WeakPolarHBondContact O-CG2 3.45Å; I403-T407 PolarHBondContact O-N 3.15Å; I403-T407 VanDerWaalsContact O-N 3.11Å; I403-T407 PolarHBondContact O-OG1 2.98Å; I403-V411 HydrophobicContact CB-CG1 4.43Å; I403-V411 HydrophobicContact CG2-CG1 3.98Å; I403-F455 HydrophobicContact CD1-CD1 3.89Å; I403-F455 HydrophobicContact CD1-CE1 4.28Å; I403-F455 HydrophobicContact CD1-CG 4.27Å; I403-F455 HydrophobicContact CG1-CD1 3.88Å; I403-F455 HydrophobicContact CG1-CD2 4.37Å; I403-F455 HydrophobicContact CG1-CE1 3.87Å; I403-F455 HydrophobicContact CG1-CE2 4.39Å; I403-F455 HydrophobicContact CG1-CG 4.15Å; I403-F455 HydrophobicContact CG1-CZ 4.17Å; I403-F455 HydrophobicContact CG2-CB 4.45Å; I403-F455 HydrophobicContact CG2-CD2 3.95Å; I403-F455 HydrophobicContact CG2-CE2 4.43Å; I403-F455 HydrophobicContact CG2-CG 4.11Å; I403-K517 HydrophobicContact CD1-CB 3.99Å; I403-K517 HydrophobicContact CD1-CG 4.05Å; I403-I519 HydrophobicContact CG2-CD1 4.08Å
404	E	96.2	Very high	95.4	Very high	32 Å²	32	35.7 Å²	35.7	15%	0.15	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-43.4	174.2	-67	-159.3	154.7	0	0	112.2	N400 Q401 R402 I406 G408 L409 T410 V411	N400-E404 PolarHBondContact O-N 3.34Å; Q401-E404 PolarHBondContact O-N 2.88Å; R402-E404 VanDerWaalsContact C-N 3.34Å; E404-I406 PolarHBondContact O-N 3.47Å; E404-G408 WeakPolarHBondContact O-CA 3.41Å; E404-G408 PolarHBondContact O-N 2.79Å; E404-L409 VanDerWaalsContact CA-O 3.29Å; E404-L409 WeakPolarHBondContact CA-O 3.46Å; E404-L409 WeakPolarHBondContact CG-O 3.5Å; E404-T410 WeakPolarHBondContact OE1-CA 3.32Å; E404-T410 WeakPolarHBondContact OE1-CB 3.39Å; E404-T410 PolarHBondContact OE1-OG1 2.94Å; E404-V411 HydrophobicContact CG-CB 4.14Å; E404-V411 HydrophobicContact CG-CG1 3.85Å; E404-V411 HydrophobicContact CG-CG2 3.62Å; E404-V411 PolarHBondContact OE1-N 3.32Å
405	D	95.8	Very high	95.1	Very high	14 Å²	14	33.1 Å²	33.1	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-42.1	-175.7	-71.2	-27	0	0	0	112.2	N320 R322 L323 Q401 R402	N320-D405 WeakPolarHBondContact ND2-CA 3.49Å; N320-D405 WeakPolarHBondContact ND2-CB 3.22Å; N320-D405 VanDerWaalsContact ND2-CG 3.34Å; N320-D405 PolarHBondContact ND2-OD1 2.91Å; R322-D405 WeakPolarHBondContact CD-OD2 3.38Å; R322-D405 IonicContact CZ-OD2 3.2Å; R322-D405 IonicContact NE-OD2 3.85Å; R322-D405 VanDerWaalsContact NH1-CG 3.25Å; R322-D405 IonicContact NH1-OD1 3.56Å; R322-D405 PolarHBondContact NH1-OD1 3.07Å; R322-D405 IonicContact NH1-OD2 3.26Å; R322-D405 PolarHBondContact NH1-OD2 3.22Å; L323-D405 HydrophobicContact CD1-CB 4.16Å; L323-D405 WeakPolarHBondContact CD1-O 3.48Å; L323-D405 HydrophobicContact CG-CB 4.33Å; Q401-D405 PolarHBondContact NE2-OD1 2.84Å; Q401-D405 PolarHBondContact O-N 2.9Å; R402-D405 PolarHBondContact O-N 2.67Å
406	I	95.8	Very high	94.9	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-81.6	-34.4	-176.5	66.5	-165.2	0	0	0	113.3	Q315 L323 M328 Y342 M345 R402 I403 E404 F455	Q315-I406 PolarHBondContact NE2-O 3.38Å; L323-I406 HydrophobicContact CD1-CB 4.49Å; L323-I406 HydrophobicContact CD1-CG2 3.84Å; L323-I406 HydrophobicContact CD2-CG2 4.2Å; M328-I406 HydrophobicContact CB-CG2 3.91Å; M328-I406 HydrophobicContact CG-CG2 3.73Å; M328-I406 HydrophobicContact SD-CG2 4.07Å; Y342-I406 HydrophobicContact CD2-CD1 4.03Å; Y342-I406 HydrophobicContact CE1-CB 4.49Å; Y342-I406 HydrophobicContact CE2-CD1 4.15Å; Y342-I406 HydrophobicContact CE2-CG1 4.39Å; Y342-I406 HydrophobicContact CG-CD1 4.28Å; M345-I406 HydrophobicContact CE-CD1 3.59Å; M345-I406 HydrophobicContact SD-CD1 3.56Å; M345-I406 VanDerWaalsContact SD-CD1 3.56Å; R402-I406 VanDerWaalsContact O-CG1 3.27Å; R402-I406 WeakPolarHBondContact O-CG1 3.27Å; R402-I406 WeakPolarHBondContact O-CG2 3.48Å; R402-I406 PolarHBondContact O-N 3.48Å; R402-I406 VanDerWaalsContact O-N 3.07Å; I403-I406 WeakPolarHBondContact O-CG1 3.39Å; E404-I406 PolarHBondContact O-N 3.47Å; I406-F455 HydrophobicContact CD1-CE2 3.4Å; I406-F455 HydrophobicContact CD1-CZ 3.34Å; I406-F455 HydrophobicContact CG1-CE2 4.04Å; I406-F455 HydrophobicContact CG1-CZ 4.44Å
407	T	95.2	Very high	94.9	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-89.8	-24	-179.8	65.7	0	0	0	0	112.2	R318 I403 L409 F455 F486	R318-T407 PolarHBondContact NH2-O 3.36Å; R318-T407 VanDerWaalsContact NH2-O 3.1Å; I403-T407 HydrophobicContact CG2-CG2 4.35Å; I403-T407 WeakPolarHBondContact O-CB 3.49Å; I403-T407 WeakPolarHBondContact O-CG2 3.45Å; I403-T407 PolarHBondContact O-N 3.15Å; I403-T407 VanDerWaalsContact O-N 3.11Å; I403-T407 PolarHBondContact O-OG1 2.98Å; T407-L409 PolarHBondContact O-N 2.85Å; T407-L409 PolarHBondContact OG1-N 3.01Å; T407-L409 VanDerWaalsContact OG1-N 3.13Å; T407-F455 HydrophobicContact CG2-CD2 3.91Å; T407-F455 HydrophobicContact CG2-CE2 4.01Å; T407-F486 HydrophobicContact CG2-CD2 3.99Å; T407-F486 HydrophobicContact CG2-CE2 3.78Å; T407-F486 HydrophobicContact CG2-CG 4.46Å; T407-F486 HydrophobicContact CG2-CZ 4.11Å
408	G	94.9	Very high	94.9	Very high	13 Å²	13	31.8 Å²	31.8	13%	0.134	15%	0.154	C	C	.	.			trans	64.4	5.8	-166.7	0	0	0	0	0	114.8	E404 R527	E404-G408 WeakPolarHBondContact O-CA 3.41Å; E404-G408 PolarHBondContact O-N 2.79Å; G408-R527 WeakPolarHBondContact O-CD 3.49Å; G408-R527 PolarHBondContact O-NH1 2.87Å
409	L	95.6	Very high	94.8	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.132	C	C	.	.			trans	-85.8	145.1	171.6	-57	175.3	0	0	0	109.1	E404 T407 L452 A453 F486 Y488 I519 Q524 R528	E404-L409 VanDerWaalsContact CA-O 3.29Å; E404-L409 WeakPolarHBondContact CA-O 3.46Å; E404-L409 WeakPolarHBondContact CG-O 3.5Å; T407-L409 PolarHBondContact O-N 2.85Å; T407-L409 PolarHBondContact OG1-N 3.01Å; T407-L409 VanDerWaalsContact OG1-N 3.13Å; L409-L452 HydrophobicContact CD1-CD2 4.13Å; L409-L452 HydrophobicContact CD2-CD2 4.1Å; L409-A453 HydrophobicContact CD1-CB 4.22Å; L409-F486 HydrophobicContact CD1-CE2 4.34Å; L409-F486 HydrophobicContact CD1-CZ 4.09Å; L409-Y488 HydrophobicContact CD1-CE1 3.95Å; L409-I519 HydrophobicContact CB-CD1 4.24Å; L409-I519 HydrophobicContact CB-CG2 4.09Å; L409-I519 HydrophobicContact CD1-CD1 3.99Å; L409-I519 HydrophobicContact CD1-CG2 4.18Å; L409-Q524 VanDerWaalsContact CA-OE1 3.25Å; L409-Q524 HydrophobicContact CD2-CG 4.45Å; L409-R528 HydrophobicContact CD2-CB 4.23Å
410	T	94.9	Very high	94.5	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.025	13%	0.133	C	C	.	.			trans	-80.3	147.2	172.6	-177	0	0	0	0	111.4	E404 Q412 G523 Q524	E404-T410 WeakPolarHBondContact OE1-CA 3.32Å; E404-T410 WeakPolarHBondContact OE1-CB 3.39Å; E404-T410 PolarHBondContact OE1-OG1 2.94Å; T410-Q412 VanDerWaalsContact OG1-CG 3.31Å; T410-Q412 WeakPolarHBondContact OG1-CG 3.41Å; T410-Q412 PolarHBondContact OG1-N 3.47Å; T410-G523 WeakPolarHBondContact CG2-O 3.45Å; T410-Q524 PolarHBondContact O-NE2 3.49Å
411	V	94.7	Very high	94.2	Very high	16 Å²	16	25.7 Å²	25.7	10%	0.097	13%	0.131	C	C	.	.			trans	-102.8	7.9	173.8	-59.1	0	0	0	0	112.6	N400 I403 E404 T413 A414	N400-V411 HydrophobicContact CB-CG2 3.88Å; I403-V411 HydrophobicContact CB-CG1 4.43Å; I403-V411 HydrophobicContact CG2-CG1 3.98Å; E404-V411 HydrophobicContact CG-CB 4.14Å; E404-V411 HydrophobicContact CG-CG1 3.85Å; E404-V411 HydrophobicContact CG-CG2 3.62Å; E404-V411 PolarHBondContact OE1-N 3.32Å; V411-T413 PolarHBondContact O-N 2.83Å; V411-A414 HydrophobicContact CB-CB 3.82Å; V411-A414 HydrophobicContact CG1-CB 4.34Å; V411-A414 VanDerWaalsContact O-CB 3.26Å; V411-A414 WeakPolarHBondContact O-CB 3.38Å; V411-A414 PolarHBondContact O-N 3Å
412	Q	91.9	Very high	93.8	Very high	170 Å²	170	23.7 Å²	23.7	79%	0.794	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.6	178.2	-74.7	176.1	14.6	0	0	113.4	T410	T410-Q412 VanDerWaalsContact OG1-CG 3.31Å; T410-Q412 WeakPolarHBondContact OG1-CG 3.41Å; T410-Q412 PolarHBondContact OG1-N 3.47Å
413	T	90.4	Very high	93.1	Very high	31 Å²	31	21 Å²	21	19%	0.19	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	3.2	177.7	55.8	0	0	0	0	112.4	V411 H520 R522	V411-T413 PolarHBondContact O-N 2.83Å; T413-H520 PolarHBondContact O-CD2 3.2Å; T413-R522 WeakPolarHBondContact CB-O 3.37Å; T413-R522 HydrophobicContact CG2-CB 4.3Å; T413-R522 HydrophobicContact CG2-CG 4.41Å; T413-R522 WeakPolarHBondContact CG2-O 3.05Å; T413-R522 PolarHBondContact OG1-O 3.42Å
414	A	92.4	Very high	92.3	Very high	18 Å²	18	23.5 Å²	23.5	15%	0.149	13%	0.126	C	C	.	.	S	Bend	trans	-71.8	155.1	178.8	0	0	0	0	0	111.1	V411 K517 W518	V411-A414 HydrophobicContact CB-CB 3.82Å; V411-A414 HydrophobicContact CG1-CB 4.34Å; V411-A414 VanDerWaalsContact O-CB 3.26Å; V411-A414 WeakPolarHBondContact O-CB 3.38Å; V411-A414 PolarHBondContact O-N 3Å; A414-K517 HydrophobicContact CB-CD 4.42Å; A414-W518 VanDerWaalsContact CA-O 3.26Å; A414-W518 WeakPolarHBondContact CA-O 3.44Å; A414-W518 VanDerWaalsContact CB-O 3.23Å; A414-W518 WeakPolarHBondContact CB-O 3.42Å
415	E	91.9	Very high	91.8	Very high	33 Å²	33	22 Å²	22	15%	0.154	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-67.1	166.9	174.1	-58.7	-171.9	-164.3	0	0	111.6	W387 R451 K517 W518 H520	W387-E415 WeakPolarHBondContact CH2-OE2 3.38Å; W387-E415 HydrophobicContact CZ3-CB 4.25Å; E415-R451 IonicContact OE1-CZ 2.8Å; E415-R451 IonicContact OE1-NE 3.37Å; E415-R451 PolarHBondContact OE1-NE 2.83Å; E415-R451 IonicContact OE1-NH2 3.75Å; E415-R451 PolarHBondContact OE1-NH2 2.94Å; E415-R451 IonicContact OE2-CZ 3.29Å; E415-R451 IonicContact OE2-NE 2.87Å; E415-R451 IonicContact OE2-NH2 3.72Å; E415-R451 PolarHBondContact OE2-NH2 3Å; E415-K517 WeakPolarHBondContact O-CD 3.42Å; E415-K517 VanDerWaalsContact O-CE 3.32Å; E415-K517 WeakPolarHBondContact O-CE 3.48Å; E415-K517 PolarHBondContact O-NZ 3.14Å; E415-W518 HydrophobicContact CB-CB 4.41Å; E415-W518 HydrophobicContact CB-CE3 4.46Å; E415-W518 HydrophobicContact CG-CB 4.23Å; E415-W518 PolarHBondContact N-O 3.08Å; E415-H520 WeakPolarHBondContact CG-NE2 3.49Å; E415-H520 IonicContact OE1-CE1 2.92Å; E415-H520 IonicContact OE1-NE2 3.64Å; E415-H520 PolarHBondContact OE1-NE2 3.45Å
416	L	93.2	Very high	91.4	Very high	68 Å²	68	21.4 Å²	21.4	36%	0.356	12%	0.116	S	C	.	.	P	Polyproline II helix	trans	-57.8	155.6	171.9	-55.7	-173.8	0	0	0	110.5	W387 E389 Q418	W387-L416 HydrophobicContact CB-CB 4.23Å; W387-L416 HydrophobicContact CB-CD1 4.12Å; W387-L416 HydrophobicContact CE3-CB 3.87Å; E389-L416 HydrophobicContact CB-CD2 4.16Å; E389-L416 HydrophobicContact CG-CD1 3.71Å; E389-L416 HydrophobicContact CG-CD2 3.72Å; E389-L416 HydrophobicContact CG-CG 4.31Å; L416-Q418 PolarHBondContact O-N 3.41Å
417	L	95.4	Very high	91	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	109.5	176.7	-174.2	71.5	0	0	0	108.4	I354 L388 I396 V419 K517	I354-L417 HydrophobicContact CD1-CD2 4.43Å; I354-L417 HydrophobicContact CG2-CD2 4.4Å; L388-L417 HydrophobicContact CB-CB 4.46Å; L388-L417 PolarHBondContact N-O 2.85Å; L388-L417 PolarHBondContact O-N 3.41Å; I396-L417 HydrophobicContact CD1-CD2 4.05Å; I396-L417 HydrophobicContact CG2-CB 4.35Å; I396-L417 HydrophobicContact CG2-CD2 4.33Å; L417-V419 PolarHBondContact O-N 3.38Å; L417-K517 HydrophobicContact CD1-CB 4.33Å; L417-K517 HydrophobicContact CD1-CD 4.46Å
418	Q	94.6	Very high	90.7	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.051	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.9	177.1	-178.9	177.1	96.2	0	0	108.9	A386 W387 L416 S515 N516 W518	A386-Q418 CarbonylContact O-C 3.54Å; A386-Q418 WeakPolarHBondContact O-CA 3.48Å; W387-Q418 HydrophobicContact CD2-CB 4.19Å; W387-Q418 HydrophobicContact CD2-CG 4.34Å; W387-Q418 HydrophobicContact CE3-CB 3.65Å; W387-Q418 HydrophobicContact CE3-CG 4.28Å; W387-Q418 HydrophobicContact CH2-CB 4.23Å; W387-Q418 HydrophobicContact CZ2-CG 4.43Å; W387-Q418 HydrophobicContact CZ3-CB 3.7Å; W387-Q418 HydrophobicContact CZ3-CG 4.38Å; L416-Q418 PolarHBondContact O-N 3.41Å; Q418-S515 CarbonylContact O-C 3.56Å; Q418-S515 WeakPolarHBondContact O-CA 3.45Å; Q418-N516 HydrophobicContact CB-CB 4.38Å; Q418-N516 PolarHBondContact N-O 3.49Å; Q418-N516 PolarHBondContact O-N 3.3Å; Q418-W518 HydrophobicContact CB-CZ3 4.07Å; Q418-W518 HydrophobicContact CG-CZ3 4.47Å; Q418-W518 VanDerWaalsContact OE1-CH2 3.28Å
419	V	94.5	Very high	90.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.8	170.5	-180	0	0	0	0	108.8	I354 A358 S385 A386 L388 L417 M459 W513	I354-V419 HydrophobicContact CG2-CG2 3.52Å; A358-V419 HydrophobicContact CB-CB 3.73Å; A358-V419 HydrophobicContact CB-CG1 3.56Å; A358-V419 HydrophobicContact CB-CG2 4.02Å; S385-V419 CarbonylContact C-O 3.47Å; S385-V419 WeakPolarHBondContact CA-O 3.34Å; A386-V419 PolarHBondContact N-O 2.77Å; A386-V419 PolarHBondContact O-N 3.43Å; L388-V419 HydrophobicContact CD1-CG2 3.77Å; L388-V419 HydrophobicContact CG-CG2 4.27Å; L417-V419 PolarHBondContact O-N 3.38Å; V419-M459 HydrophobicContact CG1-CE 3.72Å; V419-M459 HydrophobicContact CG2-CE 4.47Å; V419-W513 HydrophobicContact CG1-CE3 3.99Å; V419-W513 HydrophobicContact CG1-CZ3 4.04Å
420	A	91.4	Very high	90.2	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.017	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.1	176.9	0	0	0	0	0	111.6	K384 Y422 W513 V514	K384-A420 CarbonylContact O-C 3.58Å; K384-A420 VanDerWaalsContact O-CA 3.29Å; K384-A420 WeakPolarHBondContact O-CA 3.35Å; A420-Y422 HydrophobicContact CB-CE2 3.86Å; A420-W513 WeakPolarHBondContact O-CA 3.47Å; A420-V514 HydrophobicContact CB-CG2 3.95Å; A420-V514 PolarHBondContact N-O 3.18Å; A420-V514 PolarHBondContact O-N 3.01Å
421	N	90.4	Very high	90.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.9	170.3	-177.8	-125.6	0	0	0	110.6	S26 I27 L362 S383 K384 S511 K512 W513	S26-N421 VanDerWaalsContact CA-OD1 3.25Å; S26-N421 WeakPolarHBondContact CA-OD1 3.33Å; S26-N421 WeakPolarHBondContact CB-OD1 3.47Å; S26-N421 PolarHBondContact OG-OD1 2.94Å; S26-N421 VanDerWaalsContact OG-OD1 3.08Å; I27-N421 PolarHBondContact N-OD1 2.87Å; L362-N421 HydrophobicContact CD1-CB 4.28Å; S383-N421 WeakPolarHBondContact CA-O 3.35Å; K384-N421 PolarHBondContact N-O 3.18Å; K384-N421 PolarHBondContact O-N 2.9Å; N421-S511 PolarHBondContact ND2-OG 3.42Å; N421-K512 WeakPolarHBondContact CA-O 3.41Å; N421-K512 PolarHBondContact ND2-O 3.42Å; N421-W513 HydrophobicContact CB-CD2 3.97Å; N421-W513 HydrophobicContact CB-CE3 3.94Å; N421-W513 HydrophobicContact CB-CH2 3.99Å; N421-W513 HydrophobicContact CB-CZ2 3.96Å; N421-W513 HydrophobicContact CB-CZ3 3.96Å; N421-W513 VanDerWaalsContact ND2-CD1 3.34Å; N421-W513 PolarHBondContact ND2-NE1 3.29Å
422	Y	86.4	Confident	90	Very high	13 Å²	13	25.4 Å²	25.4	5%	0.051	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.3	172.4	-52.1	-100.7	0	0	0	108	A420 A504 S511 K512 V514	A420-Y422 HydrophobicContact CB-CE2 3.86Å; Y422-A504 HydrophobicContact CE1-CB 4.43Å; Y422-S511 PolarHBondContact O-OG 3.04Å; Y422-K512 HydrophobicContact CD2-CB 4.2Å; Y422-K512 HydrophobicContact CD2-CD 4.1Å; Y422-K512 HydrophobicContact CD2-CG 4.1Å; Y422-K512 PolarHBondContact N-O 2.97Å; Y422-K512 PolarHBondContact O-N 3.16Å; Y422-K512 VanDerWaalsContact O-N 3.1Å; Y422-V514 HydrophobicContact CE2-CG2 3.83Å
423	G	82.4	Confident	90	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.			trans	-75.6	-167.2	165.6	0	0	0	0	0	112.2	T25 G425 G426	T25-G423 PolarHBondContact O-N 3.07Å; T25-G423 VanDerWaalsContact O-N 3.07Å; G423-G425 PolarHBondContact O-N 3.18Å; G423-G426 WeakPolarHBondContact O-CA 3.47Å; G423-G426 PolarHBondContact O-N 3.09Å
424	V	81.3	Confident	90	Very high	54 Å²	54	16.3 Å²	16.3	33%	0.327	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	130.9	178.8	178.1	0	0	0	0	110.4	L139 G426	L139-V424 HydrophobicContact CD1-CG1 3.76Å; V424-G426 PolarHBondContact O-N 3.03Å
425	G	84.9	Confident	89.6	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	2.5	-175.3	0	0	0	0	0	115	R138 G423 Q427 V507	R138-G425 WeakPolarHBondContact CD-O 3.39Å; R138-G425 PolarHBondContact NH1-O 3.44Å; G423-G425 PolarHBondContact O-N 3.18Å; G425-Q427 PolarHBondContact O-N 3.24Å; G425-V507 PolarHBondContact N-O 2.9Å
426	G	86.6	Confident	89.2	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.01	9%	0.094	C	C	.	.			trans	-64.8	127.9	174.2	0	0	0	0	0	110.8	V382 G423 V424 P506 V507	V382-G426 CarbonylContact O-C 3.55Å; V382-G426 WeakPolarHBondContact O-CA 3.43Å; G423-G426 WeakPolarHBondContact O-CA 3.47Å; G423-G426 PolarHBondContact O-N 3.09Å; V424-G426 PolarHBondContact O-N 3.03Å; G426-P506 WeakPolarHBondContact O-CA 3.42Å; G426-V507 PolarHBondContact O-N 2.9Å
427	Q	88.1	Confident	88.1	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.019	10%	0.104	C	C	.	.			trans	-141	169.8	-175.3	83.7	177.1	-7.5	0	0	111.7	R138 Y291 V382 G425 A504 P506	R138-Q427 VanDerWaalsContact CD-CD 3.46Å; Y291-Q427 PolarHBondContact OH-OE1 3.5Å; V382-Q427 PolarHBondContact N-O 2.8Å; V382-Q427 PolarHBondContact O-N 2.87Å; G425-Q427 PolarHBondContact O-N 3.24Å; Q427-A504 WeakPolarHBondContact CA-O 2.82Å; Q427-A504 WeakPolarHBondContact CB-O 3.31Å; Q427-P506 HydrophobicContact CB-CB 4.26Å; Q427-P506 HydrophobicContact CB-CG 3.99Å
428	Y	88.1	Confident	86.8	Confident	37 Å²	37	28.9 Å²	28.9	15%	0.145	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	114.6	160.5	-158.4	149.5	0	0	0	108.1	Y380 R381 H431 A503 A504	Y380-Y428 HydrophobicContact CD2-CE2 4.25Å; Y380-Y428 HydrophobicContact CE2-CE2 4.21Å; R381-Y428 HydrophobicContact CB-CD2 4.23Å; R381-Y428 HydrophobicContact CB-CE2 4.36Å; R381-Y428 HydrophobicContact CB-CG 4.32Å; R381-Y428 HydrophobicContact CG-CD1 3.71Å; R381-Y428 HydrophobicContact CG-CD2 4.24Å; R381-Y428 HydrophobicContact CG-CE1 3.97Å; R381-Y428 HydrophobicContact CG-CE2 4.44Å; R381-Y428 HydrophobicContact CG-CG 3.86Å; R381-Y428 VanDerWaalsContact NE-CE1 3.34Å; R381-Y428 VanDerWaalsContact NH1-CE1 3.27Å; Y428-H431 AromaticContact CD1-CE1 3.7Å; Y428-H431 AromaticContact CD2-CE1 3.37Å; Y428-H431 WeakPolarHBondContact CD2-CE1 3.36Å; Y428-H431 AromaticContact CD2-CG 3.98Å; Y428-H431 AromaticContact CD2-ND1 3.23Å; Y428-H431 WeakPolarHBondContact CD2-ND1 3.48Å; Y428-H431 AromaticContact CE1-CE1 3.76Å; Y428-H431 AromaticContact CE1-NE2 3.68Å; Y428-H431 HydrophobicContact CE2-CB 4.11Å; Y428-H431 AromaticContact CE2-CD2 3.87Å; Y428-H431 AromaticContact CE2-CE1 3.49Å; Y428-H431 VanDerWaalsContact CE2-CE1 3.49Å; Y428-H431 WeakPolarHBondContact CE2-CE1 3.39Å; Y428-H431 AromaticContact CE2-CG 3.52Å; Y428-H431 AromaticContact CE2-ND1 3.26Å; Y428-H431 VanDerWaalsContact CE2-ND1 3.26Å; Y428-H431 WeakPolarHBondContact CE2-ND1 3.38Å; Y428-H431 AromaticContact CE2-NE2 3.81Å; Y428-H431 AromaticContact CG-CE1 3.51Å; Y428-H431 AromaticContact CG-ND1 3.85Å; Y428-H431 AromaticContact CZ-CD2 3.79Å; Y428-H431 AromaticContact CZ-CE1 3.69Å; Y428-H431 AromaticContact CZ-CG 3.95Å; Y428-H431 AromaticContact CZ-ND1 3.88Å; Y428-H431 AromaticContact CZ-NE2 3.59Å; Y428-A503 CarbonylContact O-C 3.48Å; Y428-A503 WeakPolarHBondContact O-CA 3.5Å; Y428-A503 VanDerWaalsContact O-CB 3.32Å; Y428-A503 WeakPolarHBondContact O-CB 3.43Å; Y428-A504 PolarHBondContact N-O 3.31Å; Y428-A504 PolarHBondContact O-N 3.28Å
429	E	88.7	Confident	85.6	Confident	22 Å²	22	31.8 Å²	31.8	10%	0.103	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	160	177.4	-72	-168.9	160.7	0	0	113.7	H284 L285 R288 Y380 H431	H284-E429 IonicContact CE1-OE2 2.6Å; H284-E429 IonicContact NE2-OE2 3.74Å; H284-E429 PolarHBondContact NE2-OE2 2.94Å; L285-E429 HydrophobicContact CD1-CB 4.07Å; L285-E429 VanDerWaalsContact CD1-CD 3.48Å; L285-E429 HydrophobicContact CD1-CG 4.04Å; L285-E429 WeakPolarHBondContact CD1-OE2 2.97Å; R288-E429 IonicContact CZ-OE1 3.32Å; R288-E429 IonicContact NH1-OE1 3.94Å; R288-E429 PolarHBondContact NH1-OE1 3.25Å; R288-E429 IonicContact NH2-OE1 3.46Å; Y380-E429 WeakPolarHBondContact CB-OE2 3.18Å; Y380-E429 WeakPolarHBondContact O-CG 3.49Å; Y380-E429 PolarHBondContact O-N 2.95Å; E429-H431 PolarHBondContact O-N 3.28Å; E429-H431 PolarHBondContact O-ND1 2.98Å
430	P	92.8	Very high	83.8	Confident	9 Å²	9	35.7 Å²	35.7	6%	0.058	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.6	121.6	177.6	-29.8	35.5	0	0	0	114.1	E287 Y291 P471 R501 H502 A503	E287-P430 HydrophobicContact CG-CB 4.22Å; E287-P430 HydrophobicContact CG-CG 4.09Å; E287-P430 WeakPolarHBondContact OE1-CB 3.22Å; Y291-P430 HydrophobicContact CD2-CG 4.13Å; Y291-P430 HydrophobicContact CG-CG 4.14Å; P430-P471 HydrophobicContact CG-CG 4.3Å; P430-R501 HydrophobicContact CB-CG 4.33Å; P430-R501 PolarHBondContact O-NH2 3.41Å; P430-H502 CarbonylContact C-O 3.58Å; P430-H502 WeakPolarHBondContact CA-O 3.31Å; P430-A503 HydrophobicContact CB-CB 4.44Å; P430-A503 HydrophobicContact CG-CB 3.95Å
431	H	92.1	Very high	82.4	Confident	27 Å²	27	40.8 Å²	40.8	13%	0.125	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	170.1	-178.3	62.8	-75.3	0	0	0	112.1	Y428 E429 D433 R501 H502	Y428-H431 AromaticContact CD1-CE1 3.7Å; Y428-H431 AromaticContact CD2-CE1 3.37Å; Y428-H431 WeakPolarHBondContact CD2-CE1 3.36Å; Y428-H431 AromaticContact CD2-CG 3.98Å; Y428-H431 AromaticContact CD2-ND1 3.23Å; Y428-H431 WeakPolarHBondContact CD2-ND1 3.48Å; Y428-H431 AromaticContact CE1-CE1 3.76Å; Y428-H431 AromaticContact CE1-NE2 3.68Å; Y428-H431 HydrophobicContact CE2-CB 4.11Å; Y428-H431 AromaticContact CE2-CD2 3.87Å; Y428-H431 AromaticContact CE2-CE1 3.49Å; Y428-H431 VanDerWaalsContact CE2-CE1 3.49Å; Y428-H431 WeakPolarHBondContact CE2-CE1 3.39Å; Y428-H431 AromaticContact CE2-CG 3.52Å; Y428-H431 AromaticContact CE2-ND1 3.26Å; Y428-H431 VanDerWaalsContact CE2-ND1 3.26Å; Y428-H431 WeakPolarHBondContact CE2-ND1 3.38Å; Y428-H431 AromaticContact CE2-NE2 3.81Å; Y428-H431 AromaticContact CG-CE1 3.51Å; Y428-H431 AromaticContact CG-ND1 3.85Å; Y428-H431 AromaticContact CZ-CD2 3.79Å; Y428-H431 AromaticContact CZ-CE1 3.69Å; Y428-H431 AromaticContact CZ-CG 3.95Å; Y428-H431 AromaticContact CZ-ND1 3.88Å; Y428-H431 AromaticContact CZ-NE2 3.59Å; E429-H431 PolarHBondContact O-N 3.28Å; E429-H431 PolarHBondContact O-ND1 2.98Å; H431-D433 IonicContact CD2-OD1 2.79Å; H431-D433 IonicContact NE2-OD1 2.79Å; H431-R501 WeakPolarHBondContact O-CA 3.45Å; H431-H502 AromaticContact CE1-NE2 3.83Å; H431-H502 PolarHBondContact N-O 3.08Å; H431-H502 PolarHBondContact ND1-O 3.45Å; H431-H502 AromaticContact NE2-NE2 3.51Å; H431-H502 PolarHBondContact O-N 3.18Å
432	F	92.5	Very high	80.9	Confident	33 Å²	33	43.4 Å²	43.4	15%	0.145	22%	0.221	C	C	.	.			trans	-105.4	143.9	167.6	-64.9	-66	0	0	0	109	F434 R436 Y498 R501	F432-F434 HydrophobicContact CB-CD1 4.02Å; F432-F434 HydrophobicContact CB-CE1 3.94Å; F432-F434 HydrophobicContact CB-CZ 4.36Å; F432-F434 HydrophobicContact CD1-CD1 4.15Å; F432-F434 AromaticContact CD1-CE1 3.34Å; F432-F434 HydrophobicContact CD1-CE1 3.34Å; F432-F434 AromaticContact CD1-CZ 3.77Å; F432-F434 HydrophobicContact CD1-CZ 3.77Å; F432-F434 HydrophobicContact CE1-CE1 4.01Å; F432-F434 HydrophobicContact CE1-CZ 4.18Å; F432-F434 HydrophobicContact CG-CD1 4.38Å; F432-F434 AromaticContact CG-CE1 3.8Å; F432-F434 HydrophobicContact CG-CE1 3.8Å; F432-F434 AromaticContact CG-CZ 4Å; F432-F434 HydrophobicContact CG-CZ 4Å; F432-R436 HydrophobicContact CD2-CG 4.36Å; F432-Y498 HydrophobicContact CE1-CD1 4.28Å; F432-Y498 WeakPolarHBondContact CE1-O 3.43Å; F432-Y498 HydrophobicContact CE2-CD1 4.07Å; F432-Y498 AromaticContact CZ-CD1 3.69Å; F432-Y498 HydrophobicContact CZ-CD1 3.69Å; F432-Y498 HydrophobicContact CZ-CG 4.46Å; F432-R501 HydrophobicContact CD1-CB 4.11Å; F432-R501 HydrophobicContact CD1-CG 4.44Å; F432-R501 HydrophobicContact CE1-CB 3.4Å; F432-R501 HydrophobicContact CE1-CG 3.92Å; F432-R501 HydrophobicContact CE2-CG 4.35Å; F432-R501 HydrophobicContact CZ-CB 3.7Å; F432-R501 HydrophobicContact CZ-CG 3.85Å
433	D	92.2	Very high	79.7	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.027	23%	0.225	C	C	.	.	S	Bend	trans	-80.2	-36.2	168.8	-84.2	-25.5	0	0	0	111.4	H431 R451 T454 H502 W518	H431-D433 IonicContact CD2-OD1 2.79Å; H431-D433 IonicContact NE2-OD1 2.79Å; D433-R451 WeakPolarHBondContact O-CD 3.25Å; D433-R451 PolarHBondContact O-NH1 2.98Å; D433-T454 WeakPolarHBondContact OD2-CB 3.39Å; D433-T454 WeakPolarHBondContact OD2-CG2 3.31Å; D433-T454 PolarHBondContact OD2-OG1 3.48Å; D433-H502 IonicContact OD1-CE1 3.49Å; D433-H502 IonicContact OD2-CE1 3.57Å; D433-H502 PolarHBondContact OD2-CE1 2.91Å; D433-H502 IonicContact OD2-NE2 2.88Å; D433-W518 PolarHBondContact OD1-NE1 3.31Å; D433-W518 VanDerWaalsContact OD1-NE1 3.07Å; D433-W518 PolarHBondContact OD2-NE1 2.98Å
434	F	90.1	Very high	78.8	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.026	25%	0.254	C	S	.	.	S	Bend	trans	-76.1	155.5	176.1	71.7	-87.9	0	0	0	112.2	F432 R436 N450 N489 L490 Y498	F432-F434 HydrophobicContact CB-CD1 4.02Å; F432-F434 HydrophobicContact CB-CE1 3.94Å; F432-F434 HydrophobicContact CB-CZ 4.36Å; F432-F434 HydrophobicContact CD1-CD1 4.15Å; F432-F434 AromaticContact CD1-CE1 3.34Å; F432-F434 HydrophobicContact CD1-CE1 3.34Å; F432-F434 AromaticContact CD1-CZ 3.77Å; F432-F434 HydrophobicContact CD1-CZ 3.77Å; F432-F434 HydrophobicContact CE1-CE1 4.01Å; F432-F434 HydrophobicContact CE1-CZ 4.18Å; F432-F434 HydrophobicContact CG-CD1 4.38Å; F432-F434 AromaticContact CG-CE1 3.8Å; F432-F434 HydrophobicContact CG-CE1 3.8Å; F432-F434 AromaticContact CG-CZ 4Å; F432-F434 HydrophobicContact CG-CZ 4Å; F434-R436 HydrophobicContact CE2-CG 4.05Å; F434-N450 WeakPolarHBondContact CA-OD1 3.42Å; F434-N450 WeakPolarHBondContact CB-OD1 3.16Å; F434-N489 HydrophobicContact CB-CB 4.13Å; F434-N489 HydrophobicContact CD1-CB 4Å; F434-N489 HydrophobicContact CG-CB 4.49Å; F434-L490 HydrophobicContact CB-CD2 3.62Å; F434-L490 HydrophobicContact CD2-CD2 4.11Å; F434-L490 HydrophobicContact CG-CD2 3.85Å; F434-Y498 HydrophobicContact CZ-CD1 4.36Å; F434-Y498 HydrophobicContact CZ-CE1 4.4Å
435	S	84.4	Confident	77.8	Confident	20 Å²	20	60.3 Å²	60.3	14%	0.14	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-84.5	136.7	171.8	-64.8	0	0	0	0	111.5	A442 F443 N450	S435-A442 WeakPolarHBondContact OG-CB 3.33Å; S435-F443 WeakPolarHBondContact OG-CE2 3.41Å; S435-N450 PolarHBondContact N-OD1 3.02Å; S435-N450 PolarHBondContact O-ND2 3.07Å
436	R	82.4	Confident	76.8	Confident	98 Å²	98	65.5 Å²	65.5	37%	0.37	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-83.2	165.5	-177.7	-59.8	174.9	-70.8	170.7	1.4	111.3	F432 F434 E438 E439 Y498	F432-R436 HydrophobicContact CD2-CG 4.36Å; F434-R436 HydrophobicContact CE2-CG 4.05Å; R436-E438 VanDerWaalsContact CB-OE2 3.26Å; R436-E438 WeakPolarHBondContact CB-OE2 3.43Å; R436-E438 PolarHBondContact O-N 3.19Å; R436-E438 VanDerWaalsContact O-N 3.15Å; R436-E439 IonicContact CZ-OE1 3.44Å; R436-E439 PolarHBondContact N-OE2 3.2Å; R436-E439 IonicContact NE-OE1 3.59Å; R436-E439 PolarHBondContact NE-OE1 3.2Å; R436-E439 VanDerWaalsContact NE-OE1 3.1Å; R436-E439 IonicContact NH2-OE1 3.93Å; R436-E439 PolarHBondContact NH2-OE1 3.24Å; R436-E439 WeakPolarHBondContact O-CB 3.41Å; R436-E439 PolarHBondContact O-N 3.32Å; R436-Y498 HydrophobicContact CG-CE1 4.42Å
437	K	71.8	Confident	76.2	Confident	130 Å²	130	67.1 Å²	67.1	57%	0.565	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.3	-179.3	-73.2	-177.1	173.4	169.4	0	112.4	E439 E495	K437-E439 PolarHBondContact O-N 2.92Å; K437-E495 VanDerWaalsContact CE-CD 3.49Å; K437-E495 WeakPolarHBondContact CE-OE1 3.35Å; K437-E495 WeakPolarHBondContact CE-OE2 3.5Å; K437-E495 IonicContact NZ-OE1 3.21Å; K437-E495 PolarHBondContact NZ-OE1 3.35Å; K437-E495 IonicContact NZ-OE2 3.66Å; K437-E495 PolarHBondContact NZ-OE2 3.22Å
438	E	68.1	Low	75.8	Confident	134 Å²	134	68.1 Å²	68.1	63%	0.626	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-4.1	177.6	-53.9	74.3	-157.3	0	0	113.1	R436 P440	R436-E438 VanDerWaalsContact CB-OE2 3.26Å; R436-E438 WeakPolarHBondContact CB-OE2 3.43Å; R436-E438 PolarHBondContact O-N 3.19Å; R436-E438 VanDerWaalsContact O-N 3.15Å; E438-P440 WeakPolarHBondContact O-CD 3.32Å
439	E	68.3	Low	75.7	Confident	73 Å²	73	67.8 Å²	67.8	34%	0.341	34%	0.342	S	S	.	.			trans	-116.9	58.5	-178.4	-64.2	165.5	-175.7	0	0	111.5	R436 K437 D441 A442	R436-E439 IonicContact CZ-OE1 3.44Å; R436-E439 PolarHBondContact N-OE2 3.2Å; R436-E439 IonicContact NE-OE1 3.59Å; R436-E439 PolarHBondContact NE-OE1 3.2Å; R436-E439 VanDerWaalsContact NE-OE1 3.1Å; R436-E439 IonicContact NH2-OE1 3.93Å; R436-E439 PolarHBondContact NH2-OE1 3.24Å; R436-E439 WeakPolarHBondContact O-CB 3.41Å; R436-E439 PolarHBondContact O-N 3.32Å; K437-E439 PolarHBondContact O-N 2.92Å; E439-D441 PolarHBondContact O-N 2.76Å; E439-A442 PolarHBondContact O-N 3.01Å
440	P	57.6	Low	75.7	Confident	82 Å²	82	68.1 Å²	68.1	53%	0.532	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12	-164.4	27.6	-37.1	0	0	0	115	E438 K444	E438-P440 WeakPolarHBondContact O-CD 3.32Å; P440-K444 WeakPolarHBondContact O-CE 2.84Å; P440-K444 PolarHBondContact O-NZ 2.98Å
441	D	60.6	Low	75.8	Confident	109 Å²	109	69.6 Å²	69.6	58%	0.583	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-5.4	-173.1	-68.2	-23.4	0	0	0	114.4	E439 F443 K444	E439-D441 PolarHBondContact O-N 2.76Å; D441-F443 VanDerWaalsContact C-N 3.33Å; D441-F443 PolarHBondContact O-N 3.2Å; D441-K444 PolarHBondContact O-N 3.03Å; D441-K444 WeakPolarHBondContact OD1-CD 3.42Å; D441-K444 IonicContact OD1-NZ 3.77Å; D441-K444 PolarHBondContact OD1-NZ 3.49Å
442	A	60.2	Low	75.9	Confident	55 Å²	55	68.4 Å²	68.4	46%	0.455	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-37.9	-166.9	0	0	0	0	0	114.4	S435 E439	S435-A442 WeakPolarHBondContact OG-CB 3.33Å; E439-A442 PolarHBondContact O-N 3.01Å
443	F	60.8	Low	76.2	Confident	29 Å²	29	66.9 Å²	66.9	13%	0.127	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	3.7	-180	-57.9	-67.5	0	0	0	114.4	S435 D441 R445 L446 G447 G449 N450 R451 H520	S435-F443 WeakPolarHBondContact OG-CE2 3.41Å; D441-F443 VanDerWaalsContact C-N 3.33Å; D441-F443 PolarHBondContact O-N 3.2Å; F443-R445 PolarHBondContact O-N 2.98Å; F443-L446 HydrophobicContact CD1-CD1 4.06Å; F443-L446 PolarHBondContact O-N 3.34Å; F443-L446 VanDerWaalsContact O-N 3.13Å; F443-G447 PolarHBondContact O-N 3.24Å; F443-G449 WeakPolarHBondContact CB-O 3.41Å; F443-G449 WeakPolarHBondContact CG-O 3.22Å; F443-N450 HydrophobicContact CD2-CB 4.43Å; F443-N450 WeakPolarHBondContact CE2-OD1 3.47Å; F443-R451 HydrophobicContact CE1-CG 4.16Å; F443-R451 HydrophobicContact CZ-CG 3.75Å; F443-H520 AromaticContact CD1-CE1 3.71Å; F443-H520 AromaticContact CE1-CE1 3.72Å
444	K	62.7	Low	76.4	Confident	140 Å²	140	66.6 Å²	66.6	61%	0.609	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.4	-177.6	-83	-173.2	-174.5	152.9	0	113.2	P440 D441	P440-K444 WeakPolarHBondContact O-CE 2.84Å; P440-K444 PolarHBondContact O-NZ 2.98Å; D441-K444 PolarHBondContact O-N 3.03Å; D441-K444 WeakPolarHBondContact OD1-CD 3.42Å; D441-K444 IonicContact OD1-NZ 3.77Å; D441-K444 PolarHBondContact OD1-NZ 3.49Å
445	R	60.2	Low	76.8	Confident	253 Å²	253	66.3 Å²	66.3	96%	0.955	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-31.6	179.2	-68.8	-175	177.8	-176	-0.4	113.4	F443	F443-R445 PolarHBondContact O-N 2.98Å
446	L	64.2	Low	77.5	Confident	109 Å²	109	66 Å²	66	57%	0.571	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-31.5	178.7	-69.4	165.2	0	0	0	111.1	F443 T448	F443-L446 HydrophobicContact CD1-CD1 4.06Å; F443-L446 PolarHBondContact O-N 3.34Å; F443-L446 VanDerWaalsContact O-N 3.13Å; L446-T448 HydrophobicContact CB-CG2 4.38Å; L446-T448 WeakPolarHBondContact CB-OG1 3.16Å; L446-T448 PolarHBondContact O-N 2.9Å
447	G	74.9	Confident	78.2	Confident	35 Å²	35	61.4 Å²	61.4	36%	0.361	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	18.3	-179.1	0	0	0	0	0	113.1	F443 R522	F443-G447 PolarHBondContact O-N 3.24Å; G447-R522 WeakPolarHBondContact O-CD 3.22Å; G447-R522 PolarHBondContact O-NH1 3.48Å
448	T	79.7	Confident	79.5	Confident	24 Å²	24	55.2 Å²	55.2	15%	0.147	29%	0.286	C	S	.	.	S	Bend	trans	-95	-6.5	-177.6	48.9	0	0	0	0	113	L446 H520 R522	L446-T448 HydrophobicContact CB-CG2 4.38Å; L446-T448 WeakPolarHBondContact CB-OG1 3.16Å; L446-T448 PolarHBondContact O-N 2.9Å; T448-H520 WeakPolarHBondContact O-CB 3.37Å; T448-H520 PolarHBondContact OG1-CE1 2.92Å; T448-H520 PolarHBondContact OG1-ND1 2.95Å; T448-R522 WeakPolarHBondContact O-CB 3.44Å; T448-R522 PolarHBondContact O-N 3.24Å; T448-R522 VanDerWaalsContact O-N 3.15Å
449	G	84.8	Confident	80.9	Confident	30 Å²	30	48.8 Å²	48.8	31%	0.309	26%	0.256	S	S	.	.			trans	82.6	-175.2	-174.7	0	0	0	0	0	112.1	F443 H520	F443-G449 WeakPolarHBondContact CB-O 3.41Å; F443-G449 WeakPolarHBondContact CG-O 3.22Å; G449-H520 PolarHBondContact O-ND1 3.34Å
450	N	90.1	Very high	82.2	Confident	30 Å²	30	46 Å²	46	16%	0.16	25%	0.245	C	C	.	.	S	Bend	trans	-75.7	166.4	-177.6	-155.3	-16.3	0	0	0	110.8	F434 S435 F443 L452 L490 H520 E521	F434-N450 WeakPolarHBondContact CA-OD1 3.42Å; F434-N450 WeakPolarHBondContact CB-OD1 3.16Å; S435-N450 PolarHBondContact N-OD1 3.02Å; S435-N450 PolarHBondContact O-ND2 3.07Å; F443-N450 HydrophobicContact CD2-CB 4.43Å; F443-N450 WeakPolarHBondContact CE2-OD1 3.47Å; N450-L452 PolarHBondContact O-N 3.38Å; N450-L452 VanDerWaalsContact O-N 3.17Å; N450-L490 HydrophobicContact CB-CD1 3.88Å; N450-H520 WeakPolarHBondContact O-CA 3.49Å; N450-E521 VanDerWaalsContact CB-OE2 3.23Å; N450-E521 WeakPolarHBondContact CB-OE2 3.36Å; N450-E521 PolarHBondContact N-OE2 3Å; N450-E521 PolarHBondContact O-N 3.46Å; N450-E521 VanDerWaalsContact O-N 3.11Å
451	R	93.4	Very high	83.9	Confident	39 Å²	39	47 Å²	47	15%	0.147	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	102.9	176.7	-71.1	178.6	-177	169.3	-14.2	109.3	E415 D433 F443 N489 W518 I519	E415-R451 IonicContact OE1-CZ 2.8Å; E415-R451 IonicContact OE1-NE 3.37Å; E415-R451 PolarHBondContact OE1-NE 2.83Å; E415-R451 IonicContact OE1-NH2 3.75Å; E415-R451 PolarHBondContact OE1-NH2 2.94Å; E415-R451 IonicContact OE2-CZ 3.29Å; E415-R451 IonicContact OE2-NE 2.87Å; E415-R451 IonicContact OE2-NH2 3.72Å; E415-R451 PolarHBondContact OE2-NH2 3Å; D433-R451 WeakPolarHBondContact O-CD 3.25Å; D433-R451 PolarHBondContact O-NH1 2.98Å; F443-R451 HydrophobicContact CE1-CG 4.16Å; F443-R451 HydrophobicContact CZ-CG 3.75Å; R451-N489 VanDerWaalsContact O-CB 3.31Å; R451-N489 WeakPolarHBondContact O-CB 3.27Å; R451-N489 PolarHBondContact O-ND2 3.07Å; R451-W518 HydrophobicContact CG-CB 4.02Å; R451-W518 HydrophobicContact CG-CG 4.38Å; R451-W518 VanDerWaalsContact CZ-CD2 3.48Å; R451-W518 VanDerWaalsContact NH2-CE3 3.35Å; R451-I519 CarbonylContact C-O 3.44Å
452	L	95.4	Very high	85.4	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-45.4	-179	178.3	62.4	0	0	0	113.2	L409 N450 Y488 N489 L490 I519 E521 Q524	L409-L452 HydrophobicContact CD1-CD2 4.13Å; L409-L452 HydrophobicContact CD2-CD2 4.1Å; N450-L452 PolarHBondContact O-N 3.38Å; N450-L452 VanDerWaalsContact O-N 3.17Å; L452-Y488 HydrophobicContact CD1-CD1 4.48Å; L452-Y488 HydrophobicContact CG-CD1 4.31Å; L452-N489 PolarHBondContact O-N 3.38Å; L452-L490 HydrophobicContact CD1-CB 4.22Å; L452-L490 HydrophobicContact CD1-CD1 4.36Å; L452-L490 PolarHBondContact O-N 3.19Å; L452-I519 WeakPolarHBondContact CB-O 3.39Å; L452-I519 PolarHBondContact N-O 3.47Å; L452-E521 HydrophobicContact CB-CG 4.08Å; L452-E521 HydrophobicContact CD1-CG 4.25Å; L452-Q524 HydrophobicContact CD2-CB 4.13Å; L452-Q524 HydrophobicContact CD2-CG 3.71Å
453	A	97.3	Very high	86.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157	-171.2	0	0	0	0	0	111.2	L409 F486 W487 Y488 I519	L409-A453 HydrophobicContact CD1-CB 4.22Å; A453-F486 HydrophobicContact CB-CE2 3.56Å; A453-F486 HydrophobicContact CB-CZ 3.88Å; A453-W487 WeakPolarHBondContact CA-O 3.43Å; A453-W487 WeakPolarHBondContact CB-O 3.43Å; A453-Y488 HydrophobicContact CB-CD1 3.87Å; A453-Y488 HydrophobicContact CB-CE1 4.24Å; A453-I519 PolarHBondContact N-O 2.96Å; A453-I519 PolarHBondContact O-N 3.49Å
454	T	98.1	Very high	88.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.6	178.6	-60.4	0	0	0	0	109.5	D433 F486 W487 N489 N516	D433-T454 WeakPolarHBondContact OD2-CB 3.39Å; D433-T454 WeakPolarHBondContact OD2-CG2 3.31Å; D433-T454 PolarHBondContact OD2-OG1 3.48Å; T454-F486 WeakPolarHBondContact O-CA 3.29Å; T454-F486 WeakPolarHBondContact O-CD2 3.4Å; T454-W487 VanDerWaalsContact CB-CZ2 3.42Å; T454-W487 HydrophobicContact CG2-CH2 3.38Å; T454-W487 HydrophobicContact CG2-CZ2 3.34Å; T454-W487 HydrophobicContact CG2-CZ3 4.07Å; T454-W487 PolarHBondContact N-O 3.46Å; T454-W487 PolarHBondContact O-N 3.4Å; T454-N489 PolarHBondContact OG1-ND2 3.41Å; T454-N489 PolarHBondContact OG1-OD1 3.37Å; T454-N516 WeakPolarHBondContact CG2-OD1 3.47Å
455	F	98.3	Very high	89.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	105.2	175.2	-161.8	-74.2	0	0	0	109.1	Y342 M345 I403 I406 T407 N457 F486 N516 K517	Y342-F455 AromaticContact CD2-CE2 3.55Å; Y342-F455 HydrophobicContact CD2-CE2 3.55Å; Y342-F455 AromaticContact CD2-CZ 3.57Å; Y342-F455 HydrophobicContact CD2-CZ 3.57Å; Y342-F455 HydrophobicContact CE2-CD2 4.45Å; Y342-F455 AromaticContact CE2-CE2 3.49Å; Y342-F455 HydrophobicContact CE2-CE2 3.49Å; Y342-F455 VanDerWaalsContact CE2-CE2 3.49Å; Y342-F455 HydrophobicContact CE2-CZ 4.03Å; Y342-F455 HydrophobicContact CG-CZ 4.5Å; M345-F455 HydrophobicContact CE-CE1 3.82Å; M345-F455 HydrophobicContact CE-CZ 3.75Å; M345-F455 HydrophobicContact CG-CE1 4.12Å; M345-F455 HydrophobicContact CG-CZ 4.18Å; M345-F455 HydrophobicContact SD-CE1 4.47Å; M345-F455 HydrophobicContact SD-CZ 4.11Å; I403-F455 HydrophobicContact CD1-CD1 3.89Å; I403-F455 HydrophobicContact CD1-CE1 4.28Å; I403-F455 HydrophobicContact CD1-CG 4.27Å; I403-F455 HydrophobicContact CG1-CD1 3.88Å; I403-F455 HydrophobicContact CG1-CD2 4.37Å; I403-F455 HydrophobicContact CG1-CE1 3.87Å; I403-F455 HydrophobicContact CG1-CE2 4.39Å; I403-F455 HydrophobicContact CG1-CG 4.15Å; I403-F455 HydrophobicContact CG1-CZ 4.17Å; I403-F455 HydrophobicContact CG2-CB 4.45Å; I403-F455 HydrophobicContact CG2-CD2 3.95Å; I403-F455 HydrophobicContact CG2-CE2 4.43Å; I403-F455 HydrophobicContact CG2-CG 4.11Å; I406-F455 HydrophobicContact CD1-CE2 3.4Å; I406-F455 HydrophobicContact CD1-CZ 3.34Å; I406-F455 HydrophobicContact CG1-CE2 4.04Å; I406-F455 HydrophobicContact CG1-CZ 4.44Å; T407-F455 HydrophobicContact CG2-CD2 3.91Å; T407-F455 HydrophobicContact CG2-CE2 4.01Å; F455-N457 VanDerWaalsContact CE1-OD1 3.24Å; F455-N457 WeakPolarHBondContact CE1-OD1 3.36Å; F455-F486 HydrophobicContact CB-CD2 4.33Å; F455-F486 HydrophobicContact CD2-CB 4.03Å; F455-F486 AromaticContact CD2-CD2 3.67Å; F455-F486 HydrophobicContact CD2-CD2 3.67Å; F455-F486 HydrophobicContact CD2-CG 4.2Å; F455-F486 HydrophobicContact CE2-CB 4.25Å; F455-F486 HydrophobicContact CE2-CD2 4.48Å; F455-F486 HydrophobicContact CG-CD2 4.45Å; F455-N516 PolarHBondContact O-OD1 3.21Å; F455-K517 HydrophobicContact CB-CB 4.25Å; F455-K517 PolarHBondContact N-O 2.94Å; F455-K517 PolarHBondContact O-N 3.23Å
456	L	98.4	Very high	91.3	Very high	14 Å²	14	27.4 Å²	27.4	7%	0.073	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.7	-173.4	-176.9	68.8	0	0	0	110.7	Y458 T468 S484 V485 W487 V514 N516	L456-Y458 HydrophobicContact CD2-CE1 4.21Å; L456-T468 HydrophobicContact CD2-CG2 4.39Å; L456-S484 CarbonylContact O-C 3.58Å; L456-S484 WeakPolarHBondContact O-CA 3.3Å; L456-S484 WeakPolarHBondContact O-CB 3.49Å; L456-V485 PolarHBondContact N-O 3.03Å; L456-V485 PolarHBondContact O-N 3.27Å; L456-W487 HydrophobicContact CB-CH2 4.16Å; L456-W487 HydrophobicContact CB-CZ3 4Å; L456-W487 HydrophobicContact CD2-CH2 4.39Å; L456-V514 HydrophobicContact CD1-CB 3.83Å; L456-V514 HydrophobicContact CD1-CG1 4.33Å; L456-V514 HydrophobicContact CD1-CG2 4.04Å; L456-N516 HydrophobicContact CD1-CB 4.12Å
457	N	98.3	Very high	92.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.2	173.5	-50.5	-67.4	0	0	0	111.3	L346 F455 S484 V514 S515	L346-N457 HydrophobicContact CD1-CB 3.63Å; L346-N457 HydrophobicContact CG-CB 4.48Å; F455-N457 VanDerWaalsContact CE1-OD1 3.24Å; F455-N457 WeakPolarHBondContact CE1-OD1 3.36Å; N457-S484 WeakPolarHBondContact OD1-CB 3.37Å; N457-S484 PolarHBondContact OD1-OG 2.94Å; N457-V514 CarbonylContact O-C 3.53Å; N457-V514 WeakPolarHBondContact O-CA 3.47Å; N457-V514 VanDerWaalsContact O-CB 3.29Å; N457-V514 WeakPolarHBondContact O-CB 3.3Å; N457-S515 WeakPolarHBondContact CB-OG 3.13Å; N457-S515 PolarHBondContact N-O 3.34Å; N457-S515 PolarHBondContact ND2-O 2.92Å; N457-S515 PolarHBondContact ND2-OG 2.84Å; N457-S515 PolarHBondContact O-N 3.27Å
458	Y	98.3	Very high	93.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.9	168.8	-62.7	-69.5	0	0	0	110.4	L456 T468 P479 R480 G482 T483 V485 V514	L456-Y458 HydrophobicContact CD2-CE1 4.21Å; Y458-T468 WeakPolarHBondContact OH-CB 3.41Å; Y458-T468 PolarHBondContact OH-OG1 3.3Å; Y458-P479 HydrophobicContact CD1-CB 3.46Å; Y458-P479 VanDerWaalsContact CD1-CB 3.46Å; Y458-P479 HydrophobicContact CE1-CB 3.75Å; Y458-P479 HydrophobicContact CG-CB 4.03Å; Y458-R480 VanDerWaalsContact CB-O 3.3Å; Y458-R480 WeakPolarHBondContact CB-O 3.45Å; Y458-G482 PolarHBondContact O-N 2.83Å; Y458-T483 PolarHBondContact N-O 3.15Å; Y458-V485 HydrophobicContact CD2-CG2 4.47Å; Y458-V485 HydrophobicContact CE2-CB 4.43Å; Y458-V485 HydrophobicContact CE2-CG2 3.58Å; Y458-V514 HydrophobicContact CD1-CG1 3.72Å; Y458-V514 HydrophobicContact CE1-CG1 4.15Å
459	M	97.5	Very high	94.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.			trans	-112.3	5.8	-173.8	-63.2	-164.8	-59.6	0	0	113.3	L346 I351 I354 K355 V419 W513	L346-M459 HydrophobicContact CD1-CG 3.96Å; L346-M459 HydrophobicContact CD1-SD 4.31Å; I351-M459 HydrophobicContact CG1-CB 4.31Å; I351-M459 HydrophobicContact CG1-CG 4.17Å; I351-M459 HydrophobicContact CG2-CB 3.91Å; I351-M459 HydrophobicContact CG2-CG 4.49Å; I351-M459 WeakPolarHBondContact CG2-O 3.32Å; I354-M459 HydrophobicContact CB-SD 4.14Å; I354-M459 HydrophobicContact CD1-SD 4.28Å; I354-M459 HydrophobicContact CG2-CE 3.94Å; I354-M459 HydrophobicContact CG2-SD 3.72Å; K355-M459 VanDerWaalsContact CE-O 3.23Å; K355-M459 WeakPolarHBondContact CE-O 3.48Å; K355-M459 PolarHBondContact NZ-O 3.1Å; V419-M459 HydrophobicContact CG1-CE 3.72Å; V419-M459 HydrophobicContact CG2-CE 4.47Å; M459-W513 HydrophobicContact CB-CB 3.87Å; M459-W513 HydrophobicContact CE-CB 4.43Å; M459-W513 PolarHBondContact N-O 3.33Å
460	S	95.3	Very high	95.2	Very high	14 Å²	14	18.2 Å²	18.2	10%	0.098	10%	0.095	C	C	.	.	S	Bend	trans	-149.3	153.6	169.1	56.5	0	0	0	0	110.5	S511 K512 W513	S460-S511 WeakPolarHBondContact CB-O 3.27Å; S460-S511 PolarHBondContact OG-O 3.21Å; S460-K512 WeakPolarHBondContact OG-CA 3.23Å; S460-W513 PolarHBondContact OG-N 3.14Å
461	D	94.3	Very high	95.3	Very high	102 Å²	102	17.4 Å²	17.4	55%	0.545	9%	0.092	S	C	.	.			trans	-80	141.7	162.2	-61.9	-56	0	0	0	108.1	K481	D461-K481 WeakPolarHBondContact OD1-CB 3.46Å; D461-K481 PolarHBondContact OD1-N 2.87Å; D461-K481 VanDerWaalsContact OD2-CB 3.32Å; D461-K481 WeakPolarHBondContact OD2-CB 3.46Å
462	V	92	Very high	95.3	Very high	21 Å²	21	19.6 Å²	19.6	13%	0.127	11%	0.107	C	C	.	.			trans	-115.3	124.9	178	-175.7	0	0	0	0	107.1	A464 P479 V507 V509 K512	V462-A464 WeakPolarHBondContact CG1-O 3.48Å; V462-P479 HydrophobicContact CB-CG 3.62Å; V462-P479 HydrophobicContact CG2-CB 4.03Å; V462-P479 HydrophobicContact CG2-CG 3.51Å; V462-V507 HydrophobicContact CG1-CG1 3.82Å; V462-V509 WeakPolarHBondContact CG1-O 3.31Å; V462-K512 HydrophobicContact CG2-CB 3.75Å; V462-K512 HydrophobicContact CG2-CG 4.15Å
463	E	90.2	Very high	95	Very high	133 Å²	133	20.4 Å²	20.4	62%	0.621	11%	0.11	S	C	*	.	S	Bend	trans	-68.2	-44	-174.2	-176.4	173.8	177	0	0	111.4	V158 V509	V158-E463 HydrophobicContact CG2-CG 4.02Å; V158-E463 VanDerWaalsContact CG2-OE1 3.3Å; V158-E463 WeakPolarHBondContact CG2-OE1 3.29Å; E463-V509 HydrophobicContact CB-CB 4.17Å; E463-V509 HydrophobicContact CB-CG1 4.04Å; E463-V509 HydrophobicContact CG-CB 4.41Å; E463-V509 HydrophobicContact CG-CG1 4.14Å; E463-V509 PolarHBondContact N-O 3.39Å; E463-V509 VanDerWaalsContact OE2-CG1 3.25Å; E463-V509 WeakPolarHBondContact OE2-CG1 3.41Å
464	A	90.3	Very high	94.8	Very high	17 Å²	17	20.7 Å²	20.7	14%	0.14	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	142.2	174.4	0	0	0	0	0	112	V462 L508 V509	V462-A464 WeakPolarHBondContact CG1-O 3.48Å; A464-L508 HydrophobicContact CB-CB 4Å; A464-L508 HydrophobicContact CB-CD2 4.07Å; A464-L508 HydrophobicContact CB-CG 4.23Å; A464-L508 WeakPolarHBondContact O-CB 3.44Å; A464-L508 PolarHBondContact O-N 3.2Å; A464-V509 HydrophobicContact CB-CB 4Å; A464-V509 HydrophobicContact CB-CG2 4.11Å; A464-V509 PolarHBondContact N-O 2.94Å; A464-V509 PolarHBondContact O-N 3.3Å
465	G	92.4	Very high	94.5	Very high	4 Å²	4	20.8 Å²	20.8	4%	0.041	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.1	-159.1	-177.7	0	0	0	0	0	113.8	Y143 A467 W478	Y143-G465 WeakPolarHBondContact OH-CA 3.38Å; G465-A467 VanDerWaalsContact C-N 3.29Å; G465-A467 PolarHBondContact O-N 3.06Å; G465-W478 WeakPolarHBondContact O-CZ3 3.35Å
466	G	94.3	Very high	94.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.			trans	72.5	11.5	174.4	0	0	0	0	0	116.3	C505 P506 K512	G466-C505 WeakPolarHBondContact CA-O 3.23Å; G466-P506 PolarHBondContact N-O 2.97Å; G466-P506 VanDerWaalsContact N-O 3.12Å; G466-K512 WeakPolarHBondContact O-CD 3.34Å; G466-K512 VanDerWaalsContact O-CE 3.29Å; G466-K512 WeakPolarHBondContact O-CE 3.36Å; G466-K512 PolarHBondContact O-NZ 2.99Å
467	A	95.8	Very high	94.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.			trans	-58.3	151.8	174.2	0	0	0	0	0	112.6	G465 V469 W478 C505	G465-A467 VanDerWaalsContact C-N 3.29Å; G465-A467 PolarHBondContact O-N 3.06Å; A467-V469 HydrophobicContact CB-CG1 3.98Å; A467-W478 HydrophobicContact CB-CD2 4.02Å; A467-W478 HydrophobicContact CB-CE3 3.92Å; A467-W478 HydrophobicContact CB-CH2 4.31Å; A467-W478 HydrophobicContact CB-CZ2 4.4Å; A467-W478 HydrophobicContact CB-CZ3 4.08Å; A467-C505 HydrophobicContact CB-CB 4.39Å; A467-C505 WeakPolarHBondContact O-CB 3.48Å; A467-C505 PolarHBondContact O-N 2.61Å
468	T	96.8	Very high	94	Very high	4 Å²	4	27 Å²	27	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.8	162.6	-59	0	0	0	0	107.5	L456 Y458 F470 I477 A503	L456-T468 HydrophobicContact CD2-CG2 4.39Å; Y458-T468 WeakPolarHBondContact OH-CB 3.41Å; Y458-T468 PolarHBondContact OH-OG1 3.3Å; T468-F470 HydrophobicContact CG2-CE2 4.11Å; T468-F470 HydrophobicContact CG2-CZ 4.5Å; T468-I477 PolarHBondContact N-O 3.48Å; T468-I477 PolarHBondContact O-N 3.31Å; T468-A503 CarbonylContact C-O 3.54Å; T468-A503 WeakPolarHBondContact CA-O 3.42Å
469	V	96.6	Very high	93.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.2	-172.3	-61.9	0	0	0	0	111.6	Y291 L294 A467 A475 A476 H502 A503 C505	Y291-V469 HydrophobicContact CD2-CG2 3.76Å; Y291-V469 HydrophobicContact CE2-CG2 4.09Å; L294-V469 HydrophobicContact CB-CB 3.85Å; L294-V469 HydrophobicContact CB-CG1 3.74Å; L294-V469 HydrophobicContact CB-CG2 4.35Å; L294-V469 HydrophobicContact CD1-CB 4.17Å; A467-V469 HydrophobicContact CB-CG1 3.98Å; V469-A475 CarbonylContact C-O 3.58Å; V469-A475 WeakPolarHBondContact CA-O 3.35Å; V469-A476 HydrophobicContact CG1-CB 3.88Å; V469-H502 CarbonylContact O-C 3.48Å; V469-H502 WeakPolarHBondContact O-CA 3.46Å; V469-H502 WeakPolarHBondContact O-CB 3.49Å; V469-A503 HydrophobicContact CG2-CB 3.89Å; V469-A503 PolarHBondContact N-O 3.2Å; V469-A503 PolarHBondContact O-N 2.73Å; V469-C505 WeakPolarHBondContact CG1-SG 3.36Å
470	F	95.8	Very high	93.9	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	92.9	178.5	-66	-99	0	0	0	109.2	I339 T468 D472 F473 G474 A475 I477 W487 R501 H502	I339-F470 HydrophobicContact CD1-CD2 4.03Å; I339-F470 HydrophobicContact CD1-CE1 4.32Å; I339-F470 HydrophobicContact CD1-CE2 3.82Å; I339-F470 HydrophobicContact CD1-CG 4.39Å; I339-F470 HydrophobicContact CD1-CZ 3.98Å; T468-F470 HydrophobicContact CG2-CE2 4.11Å; T468-F470 HydrophobicContact CG2-CZ 4.5Å; F470-D472 VanDerWaalsContact C-N 3.3Å; F470-D472 PolarHBondContact O-N 3.25Å; F470-F473 HydrophobicContact CB-CD1 4.07Å; F470-F473 HydrophobicContact CB-CD2 4.19Å; F470-F473 HydrophobicContact CB-CE1 3.49Å; F470-F473 VanDerWaalsContact CB-CE1 3.49Å; F470-F473 HydrophobicContact CB-CE2 3.65Å; F470-F473 HydrophobicContact CB-CG 4.41Å; F470-F473 HydrophobicContact CB-CZ 3.26Å; F470-F473 AromaticContact CD1-CE1 3.69Å; F470-F473 HydrophobicContact CD1-CE1 3.69Å; F470-F473 AromaticContact CD1-CZ 3.5Å; F470-F473 HydrophobicContact CD1-CZ 3.5Å; F470-F473 VanDerWaalsContact CD1-CZ 3.5Å; F470-F473 HydrophobicContact CD2-CE2 4.44Å; F470-F473 HydrophobicContact CD2-CZ 4.04Å; F470-F473 HydrophobicContact CE1-CZ 4.33Å; F470-F473 AromaticContact CG-CE1 3.81Å; F470-F473 HydrophobicContact CG-CE1 3.81Å; F470-F473 AromaticContact CG-CE2 4Å; F470-F473 HydrophobicContact CG-CE2 4Å; F470-F473 AromaticContact CG-CZ 3.33Å; F470-F473 HydrophobicContact CG-CZ 3.33Å; F470-F473 PolarHBondContact O-N 3.19Å; F470-G474 WeakPolarHBondContact O-CA 3.5Å; F470-G474 PolarHBondContact O-N 3.02Å; F470-A475 HydrophobicContact CB-CB 4.32Å; F470-A475 HydrophobicContact CD2-CB 4.33Å; F470-A475 PolarHBondContact N-O 3.37Å; F470-A475 PolarHBondContact O-N 3.41Å; F470-I477 HydrophobicContact CD2-CD1 4.38Å; F470-I477 HydrophobicContact CE2-CD1 3.74Å; F470-I477 HydrophobicContact CE2-CG1 4.5Å; F470-W487 HydrophobicContact CE1-CD2 4.37Å; F470-W487 HydrophobicContact CE1-CG 4.48Å; F470-W487 HydrophobicContact CZ-CD2 4.01Å; F470-W487 HydrophobicContact CZ-CE3 4.21Å; F470-W487 HydrophobicContact CZ-CG 4.45Å; F470-W487 HydrophobicContact CZ-CZ2 4.4Å; F470-W487 HydrophobicContact CZ-CZ3 4.5Å; F470-R501 WeakPolarHBondContact CA-O 3.48Å; F470-H502 HydrophobicContact CD1-CB 3.61Å; F470-H502 HydrophobicContact CE1-CB 3.54Å; F470-H502 HydrophobicContact CE2-CB 4.43Å; F470-H502 HydrophobicContact CG-CB 4.11Å; F470-H502 HydrophobicContact CZ-CB 3.96Å
471	P	93.6	Very high	94	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.091	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-39.2	-172.4	-29.4	37.8	0	0	0	114.9	E287 L294 P430 F473 R501	E287-P471 HydrophobicContact CG-CB 4.46Å; L294-P471 VanDerWaalsContact CD1-CA 3.48Å; L294-P471 HydrophobicContact CD1-CB 4.36Å; L294-P471 HydrophobicContact CD1-CG 4.46Å; P430-P471 HydrophobicContact CG-CG 4.3Å; P471-F473 VanDerWaalsContact C-N 3.34Å; P471-F473 PolarHBondContact O-N 3.46Å; P471-R501 WeakPolarHBondContact CD-O 3.29Å
472	D	91.6	Very high	94.2	Very high	85 Å²	85	31.7 Å²	31.7	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.1	-171.2	-72.1	21	0	0	0	113.6	F470	F470-D472 VanDerWaalsContact C-N 3.3Å; F470-D472 PolarHBondContact O-N 3.25Å
473	F	90.3	Very high	94.5	Very high	20 Å²	20	30.9 Å²	30.9	9%	0.088	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	5.6	179.4	60.4	-97.5	0	0	0	114	L300 W334 P337 I339 F470 P471 A475 R499	L300-F473 WeakPolarHBondContact CD1-O 3.46Å; W334-F473 AromaticContact CD1-CD2 3.65Å; W334-F473 AromaticContact CD1-CE2 3.53Å; W334-F473 AromaticContact CD2-CD2 3.99Å; W334-F473 HydrophobicContact CD2-CD2 3.99Å; W334-F473 AromaticContact CD2-CE2 3.98Å; W334-F473 HydrophobicContact CD2-CE2 3.98Å; W334-F473 AromaticContact CE2-CD2 3.4Å; W334-F473 VanDerWaalsContact CE2-CD2 3.4Å; W334-F473 AromaticContact CE2-CE2 3.88Å; W334-F473 HydrophobicContact CG-CD2 4.15Å; W334-F473 AromaticContact CG-CE2 3.81Å; W334-F473 HydrophobicContact CG-CE2 3.81Å; W334-F473 AromaticContact CZ2-CD2 3.84Å; W334-F473 HydrophobicContact CZ2-CD2 3.84Å; W334-F473 WeakPolarHBondContact CZ2-O 3.41Å; W334-F473 AromaticContact NE1-CD2 3.14Å; W334-F473 AromaticContact NE1-CE2 3.56Å; W334-F473 AromaticContact NE1-CG 3.96Å; P337-F473 HydrophobicContact CG-CD1 4.09Å; P337-F473 HydrophobicContact CG-CE1 3.73Å; P337-F473 HydrophobicContact CG-CZ 4.28Å; I339-F473 HydrophobicContact CD1-CE2 3.74Å; I339-F473 HydrophobicContact CD1-CZ 3.48Å; I339-F473 VanDerWaalsContact CD1-CZ 3.48Å; F470-F473 HydrophobicContact CB-CD1 4.07Å; F470-F473 HydrophobicContact CB-CD2 4.19Å; F470-F473 HydrophobicContact CB-CE1 3.49Å; F470-F473 VanDerWaalsContact CB-CE1 3.49Å; F470-F473 HydrophobicContact CB-CE2 3.65Å; F470-F473 HydrophobicContact CB-CG 4.41Å; F470-F473 HydrophobicContact CB-CZ 3.26Å; F470-F473 AromaticContact CD1-CE1 3.69Å; F470-F473 HydrophobicContact CD1-CE1 3.69Å; F470-F473 AromaticContact CD1-CZ 3.5Å; F470-F473 HydrophobicContact CD1-CZ 3.5Å; F470-F473 VanDerWaalsContact CD1-CZ 3.5Å; F470-F473 HydrophobicContact CD2-CE2 4.44Å; F470-F473 HydrophobicContact CD2-CZ 4.04Å; F470-F473 HydrophobicContact CE1-CZ 4.33Å; F470-F473 AromaticContact CG-CE1 3.81Å; F470-F473 HydrophobicContact CG-CE1 3.81Å; F470-F473 AromaticContact CG-CE2 4Å; F470-F473 HydrophobicContact CG-CE2 4Å; F470-F473 AromaticContact CG-CZ 3.33Å; F470-F473 HydrophobicContact CG-CZ 3.33Å; F470-F473 PolarHBondContact O-N 3.19Å; P471-F473 VanDerWaalsContact C-N 3.34Å; P471-F473 PolarHBondContact O-N 3.46Å; F473-A475 HydrophobicContact CD2-CB 3.66Å; F473-A475 HydrophobicContact CE2-CB 3.28Å; F473-A475 HydrophobicContact CZ-CB 4.33Å; F473-R499 HydrophobicContact CD1-CB 4.04Å; F473-R499 VanDerWaalsContact CD1-O 3.26Å; F473-R499 WeakPolarHBondContact CD1-O 3.39Å; F473-R499 HydrophobicContact CE1-CB 4.39Å; F473-R499 WeakPolarHBondContact CE1-O 3.37Å
474	G	92	Very high	94.9	Very high	6 Å²	6	24.5 Å²	24.5	6%	0.062	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	26.2	167.5	0	0	0	0	0	115.6	L294 L300 F470	L294-G474 WeakPolarHBondContact CD2-O 3.49Å; L300-G474 PolarHBondContact N-O 2.72Å; L300-G474 VanDerWaalsContact N-O 3.17Å; F470-G474 WeakPolarHBondContact O-CA 3.5Å; F470-G474 PolarHBondContact O-N 3.02Å
475	A	92.9	Very high	95.3	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.017	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	145.3	174.7	0	0	0	0	0	112	W334 V469 F470 F473	W334-A475 HydrophobicContact CD2-CB 3.75Å; W334-A475 HydrophobicContact CE3-CB 3.47Å; W334-A475 VanDerWaalsContact CE3-CB 3.47Å; W334-A475 HydrophobicContact CG-CB 4.39Å; W334-A475 HydrophobicContact CH2-CB 4.19Å; W334-A475 HydrophobicContact CZ2-CB 4.42Å; W334-A475 HydrophobicContact CZ3-CB 3.72Å; V469-A475 CarbonylContact C-O 3.58Å; V469-A475 WeakPolarHBondContact CA-O 3.35Å; F470-A475 HydrophobicContact CB-CB 4.32Å; F470-A475 HydrophobicContact CD2-CB 4.33Å; F470-A475 PolarHBondContact N-O 3.37Å; F470-A475 PolarHBondContact O-N 3.41Å; F473-A475 HydrophobicContact CD2-CB 3.66Å; F473-A475 HydrophobicContact CE2-CB 3.28Å; F473-A475 HydrophobicContact CZ-CB 4.33Å
476	A	94.4	Very high	95.5	Very high	30 Å²	30	24 Å²	24	25%	0.248	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	120.1	174.2	0	0	0	0	0	109.6	V469	V469-A476 HydrophobicContact CG1-CB 3.88Å
477	I	95	Very high	95.7	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.9	-174.7	-52	176.9	0	0	0	108.6	E333 I339 T468 F470 V485	E333-I477 HydrophobicContact CB-CD1 4.36Å; E333-I477 HydrophobicContact CG-CG2 4.43Å; I339-I477 HydrophobicContact CD1-CD1 4.22Å; I339-I477 HydrophobicContact CG2-CD1 3.64Å; T468-I477 PolarHBondContact N-O 3.48Å; T468-I477 PolarHBondContact O-N 3.31Å; F470-I477 HydrophobicContact CD2-CD1 4.38Å; F470-I477 HydrophobicContact CE2-CD1 3.74Å; F470-I477 HydrophobicContact CE2-CG1 4.5Å; I477-V485 HydrophobicContact CD1-CG1 3.78Å; I477-V485 HydrophobicContact CG2-CG2 3.72Å
478	W	94.8	Very high	95.8	Very high	112 Å²	112	27.6 Å²	27.6	42%	0.424	13%	0.129	S	C	.	.			trans	-78.5	138.4	-176.9	-65.8	92.8	0	0	0	111.3	R341 G465 A467 R480	R341-W478 PolarHBondContact NH1-O 3.23Å; R341-W478 PolarHBondContact NH2-O 3.11Å; G465-W478 WeakPolarHBondContact O-CZ3 3.35Å; A467-W478 HydrophobicContact CB-CD2 4.02Å; A467-W478 HydrophobicContact CB-CE3 3.92Å; A467-W478 HydrophobicContact CB-CH2 4.31Å; A467-W478 HydrophobicContact CB-CZ2 4.4Å; A467-W478 HydrophobicContact CB-CZ3 4.08Å; W478-R480 PolarHBondContact O-N 2.91Å
479	P	95.8	Very high	95.8	Very high	15 Å²	15	27.4 Å²	27.4	10%	0.097	13%	0.128	C	C	.	.			trans	-65.3	133.7	179.4	27.5	-34.5	0	0	0	110.6	Y458 V462	Y458-P479 HydrophobicContact CD1-CB 3.46Å; Y458-P479 VanDerWaalsContact CD1-CB 3.46Å; Y458-P479 HydrophobicContact CE1-CB 3.75Å; Y458-P479 HydrophobicContact CG-CB 4.03Å; V462-P479 HydrophobicContact CB-CG 3.62Å; V462-P479 HydrophobicContact CG2-CB 4.03Å; V462-P479 HydrophobicContact CG2-CG 3.51Å
480	R	97.2	Very high	95.7	Very high	134 Å²	134	27.5 Å²	27.5	51%	0.506	13%	0.128	S	C	.	.			trans	-135.9	118.8	173.4	-179.7	178.7	172.8	-170	1.3	108.6	Y458 W478 G482 T483	Y458-R480 VanDerWaalsContact CB-O 3.3Å; Y458-R480 WeakPolarHBondContact CB-O 3.45Å; W478-R480 PolarHBondContact O-N 2.91Å; R480-G482 PolarHBondContact O-N 2.72Å; R480-T483 HydrophobicContact CB-CG2 3.97Å; R480-T483 HydrophobicContact CG-CG2 3.79Å; R480-T483 WeakPolarHBondContact O-CB 3.41Å; R480-T483 PolarHBondContact O-N 2.85Å; R480-T483 VanDerWaalsContact O-N 3.1Å; R480-T483 PolarHBondContact O-OG1 3.48Å
481	K	98.1	Very high	95.6	Very high	60 Å²	60	28.9 Å²	28.9	26%	0.261	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	137.1	-175.6	-171.2	-172.4	-179.5	-155.9	0	111.2	D348 I351 D461 T483	D348-K481 WeakPolarHBondContact OD1-CE 3.43Å; D348-K481 IonicContact OD1-NZ 3.68Å; D348-K481 PolarHBondContact OD1-NZ 3.29Å; D348-K481 IonicContact OD2-NZ 2.63Å; D348-K481 PolarHBondContact OD2-NZ 3.43Å; I351-K481 HydrophobicContact CD1-CG 3.84Å; D461-K481 WeakPolarHBondContact OD1-CB 3.46Å; D461-K481 PolarHBondContact OD1-N 2.87Å; D461-K481 VanDerWaalsContact OD2-CB 3.32Å; D461-K481 WeakPolarHBondContact OD2-CB 3.46Å; K481-T483 PolarHBondContact O-N 3.27Å
482	G	98.1	Very high	95.4	Very high	5 Å²	5	33.2 Å²	33.2	5%	0.052	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-1.1	178.5	0	0	0	0	0	114.4	E344 M345 L346 Y458 R480	E344-G482 CarbonylContact C-O 3.25Å; E344-G482 PolarHBondContact N-O 2.94Å; M345-G482 PolarHBondContact N-O 3.31Å; L346-G482 PolarHBondContact N-O 3.33Å; Y458-G482 PolarHBondContact O-N 2.83Å; R480-G482 PolarHBondContact O-N 2.72Å
483	T	98.4	Very high	95.3	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.018	14%	0.143	C	C	.	.			trans	-100	162.7	174.3	71.6	0	0	0	0	111.5	R341 Y342 L343 Y458 R480 K481	R341-T483 PolarHBondContact NH1-OG1 3.35Å; Y342-T483 CarbonylContact O-C 3.54Å; Y342-T483 VanDerWaalsContact O-CA 3.23Å; Y342-T483 WeakPolarHBondContact O-CA 3.49Å; Y342-T483 WeakPolarHBondContact O-CB 3.3Å; L343-T483 HydrophobicContact CD2-CG2 3.64Å; Y458-T483 PolarHBondContact N-O 3.15Å; R480-T483 HydrophobicContact CB-CG2 3.97Å; R480-T483 HydrophobicContact CG-CG2 3.79Å; R480-T483 WeakPolarHBondContact O-CB 3.41Å; R480-T483 PolarHBondContact O-N 2.85Å; R480-T483 VanDerWaalsContact O-N 3.1Å; R480-T483 PolarHBondContact O-OG1 3.48Å; K481-T483 PolarHBondContact O-N 3.27Å
484	S	98.3	Very high	95.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152	176.4	-50.4	0	0	0	0	111.2	R341 Y342 M345 L456 N457	R341-S484 CarbonylContact C-O 3.6Å; R341-S484 VanDerWaalsContact CA-O 3.22Å; R341-S484 WeakPolarHBondContact CA-O 3.32Å; R341-S484 WeakPolarHBondContact CG-O 3.24Å; Y342-S484 PolarHBondContact N-O 3.27Å; Y342-S484 PolarHBondContact O-N 2.99Å; M345-S484 VanDerWaalsContact CB-OG 3.31Å; M345-S484 WeakPolarHBondContact CB-OG 3.39Å; M345-S484 WeakPolarHBondContact CG-OG 3.38Å; L456-S484 CarbonylContact O-C 3.58Å; L456-S484 WeakPolarHBondContact O-CA 3.3Å; L456-S484 WeakPolarHBondContact O-CB 3.49Å; N457-S484 WeakPolarHBondContact OD1-CB 3.37Å; N457-S484 PolarHBondContact OD1-OG 2.94Å
485	V	98.2	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.2	179.1	176.4	0	0	0	0	108.9	I339 V340 R341 L456 Y458 I477 W487	I339-V485 HydrophobicContact CG2-CG1 3.39Å; V340-V485 WeakPolarHBondContact O-CA 2.92Å; R341-V485 HydrophobicContact CB-CG2 4.48Å; R341-V485 HydrophobicContact CG-CG2 4.49Å; L456-V485 PolarHBondContact N-O 3.03Å; L456-V485 PolarHBondContact O-N 3.27Å; Y458-V485 HydrophobicContact CD2-CG2 4.47Å; Y458-V485 HydrophobicContact CE2-CB 4.43Å; Y458-V485 HydrophobicContact CE2-CG2 3.58Å; I477-V485 HydrophobicContact CD1-CG1 3.78Å; I477-V485 HydrophobicContact CG2-CG2 3.72Å; V485-W487 HydrophobicContact CB-CZ3 4.47Å; V485-W487 HydrophobicContact CG1-CE3 3.93Å; V485-W487 HydrophobicContact CG1-CZ3 4.03Å
486	F	98.3	Very high	95.1	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.044	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136	-177.4	172.7	-99.8	0	0	0	111.1	V340 Y342 T407 L409 A453 T454 F455 Y488	V340-F486 HydrophobicContact CG2-CB 3.86Å; V340-F486 HydrophobicContact CG2-CD1 3.86Å; V340-F486 HydrophobicContact CG2-CG 4.36Å; V340-F486 PolarHBondContact N-O 2.85Å; V340-F486 VanDerWaalsContact N-O 3.13Å; V340-F486 PolarHBondContact O-N 2.78Å; Y342-F486 HydrophobicContact CD2-CB 4.37Å; Y342-F486 HydrophobicContact CE2-CB 3.67Å; Y342-F486 HydrophobicContact CE2-CG 4.29Å; T407-F486 HydrophobicContact CG2-CD2 3.99Å; T407-F486 HydrophobicContact CG2-CE2 3.78Å; T407-F486 HydrophobicContact CG2-CG 4.46Å; T407-F486 HydrophobicContact CG2-CZ 4.11Å; L409-F486 HydrophobicContact CD1-CE2 4.34Å; L409-F486 HydrophobicContact CD1-CZ 4.09Å; A453-F486 HydrophobicContact CB-CE2 3.56Å; A453-F486 HydrophobicContact CB-CZ 3.88Å; T454-F486 WeakPolarHBondContact O-CA 3.29Å; T454-F486 WeakPolarHBondContact O-CD2 3.4Å; F455-F486 HydrophobicContact CB-CD2 4.33Å; F455-F486 HydrophobicContact CD2-CB 4.03Å; F455-F486 AromaticContact CD2-CD2 3.67Å; F455-F486 HydrophobicContact CD2-CD2 3.67Å; F455-F486 HydrophobicContact CD2-CG 4.2Å; F455-F486 HydrophobicContact CE2-CB 4.25Å; F455-F486 HydrophobicContact CE2-CD2 4.48Å; F455-F486 HydrophobicContact CG-CD2 4.45Å; F486-Y488 HydrophobicContact CE1-CD2 4.11Å; F486-Y488 HydrophobicContact CE1-CE1 4.42Å; F486-Y488 AromaticContact CE1-CE2 3.61Å; F486-Y488 HydrophobicContact CE1-CE2 3.61Å; F486-Y488 AromaticContact CE1-CZ 3.78Å; F486-Y488 HydrophobicContact CZ-CD1 4.36Å; F486-Y488 HydrophobicContact CZ-CD2 4.39Å; F486-Y488 AromaticContact CZ-CE1 3.89Å; F486-Y488 HydrophobicContact CZ-CE1 3.89Å; F486-Y488 AromaticContact CZ-CE2 3.93Å; F486-Y488 HydrophobicContact CZ-CE2 3.93Å; F486-Y488 AromaticContact CZ-CZ 3.64Å
487	W	98	Very high	95.1	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.1	171.9	66.3	95.2	0	0	0	110.6	I339 A453 T454 L456 F470 V485 N489 H502	I339-W487 HydrophobicContact CG1-CB 4.12Å; A453-W487 WeakPolarHBondContact CA-O 3.43Å; A453-W487 WeakPolarHBondContact CB-O 3.43Å; T454-W487 VanDerWaalsContact CB-CZ2 3.42Å; T454-W487 HydrophobicContact CG2-CH2 3.38Å; T454-W487 HydrophobicContact CG2-CZ2 3.34Å; T454-W487 HydrophobicContact CG2-CZ3 4.07Å; T454-W487 PolarHBondContact N-O 3.46Å; T454-W487 PolarHBondContact O-N 3.4Å; L456-W487 HydrophobicContact CB-CH2 4.16Å; L456-W487 HydrophobicContact CB-CZ3 4Å; L456-W487 HydrophobicContact CD2-CH2 4.39Å; F470-W487 HydrophobicContact CE1-CD2 4.37Å; F470-W487 HydrophobicContact CE1-CG 4.48Å; F470-W487 HydrophobicContact CZ-CD2 4.01Å; F470-W487 HydrophobicContact CZ-CE3 4.21Å; F470-W487 HydrophobicContact CZ-CG 4.45Å; F470-W487 HydrophobicContact CZ-CZ2 4.4Å; F470-W487 HydrophobicContact CZ-CZ3 4.5Å; V485-W487 HydrophobicContact CB-CZ3 4.47Å; V485-W487 HydrophobicContact CG1-CE3 3.93Å; V485-W487 HydrophobicContact CG1-CZ3 4.03Å; W487-N489 PolarHBondContact NE1-OD1 2.96Å; W487-H502 AromaticContact CZ2-CD2 3.99Å; W487-H502 AromaticContact CZ2-CE1 3.66Å; W487-H502 AromaticContact CZ2-ND1 3.99Å; W487-H502 AromaticContact CZ2-NE2 3.64Å
488	Y	97.3	Very high	95	Very high	73 Å²	73	37.9 Å²	37.9	29%	0.286	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	132.6	170.4	-71.4	-78.4	0	0	0	109.6	L409 L452 A453 F486 T500 R528	L409-Y488 HydrophobicContact CD1-CE1 3.95Å; L452-Y488 HydrophobicContact CD1-CD1 4.48Å; L452-Y488 HydrophobicContact CG-CD1 4.31Å; A453-Y488 HydrophobicContact CB-CD1 3.87Å; A453-Y488 HydrophobicContact CB-CE1 4.24Å; F486-Y488 HydrophobicContact CE1-CD2 4.11Å; F486-Y488 HydrophobicContact CE1-CE1 4.42Å; F486-Y488 AromaticContact CE1-CE2 3.61Å; F486-Y488 HydrophobicContact CE1-CE2 3.61Å; F486-Y488 AromaticContact CE1-CZ 3.78Å; F486-Y488 HydrophobicContact CZ-CD1 4.36Å; F486-Y488 HydrophobicContact CZ-CD2 4.39Å; F486-Y488 AromaticContact CZ-CE1 3.89Å; F486-Y488 HydrophobicContact CZ-CE1 3.89Å; F486-Y488 AromaticContact CZ-CE2 3.93Å; F486-Y488 HydrophobicContact CZ-CE2 3.93Å; F486-Y488 AromaticContact CZ-CZ 3.64Å; Y488-T500 VanDerWaalsContact O-CG2 3.23Å; Y488-T500 WeakPolarHBondContact O-CG2 3.49Å; Y488-R528 VanDerWaalsContact CE1-NE 3.26Å
489	N	96.4	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-86.2	-23.8	173.2	-64	-44.6	0	0	0	111.9	F434 R451 L452 T454 W487 D497	F434-N489 HydrophobicContact CB-CB 4.13Å; F434-N489 HydrophobicContact CD1-CB 4Å; F434-N489 HydrophobicContact CG-CB 4.49Å; R451-N489 VanDerWaalsContact O-CB 3.31Å; R451-N489 WeakPolarHBondContact O-CB 3.27Å; R451-N489 PolarHBondContact O-ND2 3.07Å; L452-N489 PolarHBondContact O-N 3.38Å; T454-N489 PolarHBondContact OG1-ND2 3.41Å; T454-N489 PolarHBondContact OG1-OD1 3.37Å; W487-N489 PolarHBondContact NE1-OD1 2.96Å; N489-D497 PolarHBondContact O-N 3.45Å
490	L	94.3	Very high	94.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-119.5	144	-177.5	-50.1	178.3	0	0	0	110.7	F434 N450 L452 E495 E521 R528	F434-L490 HydrophobicContact CB-CD2 3.62Å; F434-L490 HydrophobicContact CD2-CD2 4.11Å; F434-L490 HydrophobicContact CG-CD2 3.85Å; N450-L490 HydrophobicContact CB-CD1 3.88Å; L452-L490 HydrophobicContact CD1-CB 4.22Å; L452-L490 HydrophobicContact CD1-CD1 4.36Å; L452-L490 PolarHBondContact O-N 3.19Å; L490-E495 CarbonylContact C-O 3.49Å; L490-E495 VanDerWaalsContact CA-O 3.23Å; L490-E495 WeakPolarHBondContact CA-O 3.29Å; L490-E521 HydrophobicContact CD1-CG 3.55Å; L490-E521 WeakPolarHBondContact CD1-OE1 3.3Å; L490-R528 PolarHBondContact O-NH1 2.9Å; L490-R528 PolarHBondContact O-NH2 2.92Å
491	F	93.6	Very high	94.8	Very high	31 Å²	31	32.2 Å²	32.2	14%	0.136	15%	0.148	C	C	.	.			trans	-62.5	170.5	164.7	-65.2	-67.6	0	0	0	111.1	S493 G494 E495 D497 R528 E534 V535	F491-S493 PolarHBondContact O-N 3.33Å; F491-G494 PolarHBondContact O-N 2.85Å; F491-G494 VanDerWaalsContact O-N 3.1Å; F491-E495 HydrophobicContact CD2-CB 4.17Å; F491-E495 WeakPolarHBondContact CD2-O 3.49Å; F491-E495 PolarHBondContact N-O 3.37Å; F491-D497 HydrophobicContact CD2-CB 4.22Å; F491-D497 HydrophobicContact CE1-CB 4.09Å; F491-D497 HydrophobicContact CE2-CB 3.73Å; F491-D497 HydrophobicContact CZ-CB 3.64Å; F491-R528 PolarHBondContact O-NH1 3.34Å; F491-E534 WeakPolarHBondContact CB-O 3.19Å; F491-V535 HydrophobicContact CD1-CB 4.5Å; F491-V535 WeakPolarHBondContact CD1-O 3.44Å; F491-V535 HydrophobicContact CE1-CB 4.35Å; F491-V535 HydrophobicContact CE2-CG1 4.49Å
492	R	91.3	Very high	94.7	Very high	104 Å²	104	29.8 Å²	29.8	39%	0.392	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18	175.7	-68.2	-179	170	-102.2	2.5	113.2	G494 P529 C530 G531 D536	R492-G494 PolarHBondContact O-N 3.46Å; R492-P529 PolarHBondContact NH1-O 3.14Å; R492-C530 WeakPolarHBondContact O-CA 3.41Å; R492-G531 VanDerWaalsContact CB-N 3.29Å; R492-D536 WeakPolarHBondContact CB-O 3.47Å; R492-D536 PolarHBondContact N-O 3.11Å
493	S	89.3	Confident	94.6	Very high	50 Å²	50	29.6 Å²	29.6	35%	0.35	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.1	171.7	61.1	0	0	0	0	113.7	F491 E495 E534	F491-S493 PolarHBondContact O-N 3.33Å; S493-E495 WeakPolarHBondContact OG-CB 3.39Å; S493-E495 PolarHBondContact OG-N 3.01Å; S493-E495 VanDerWaalsContact OG-N 3.17Å; S493-E534 WeakPolarHBondContact CB-O 3.43Å; S493-E534 PolarHBondContact OG-O 3.01Å
494	G	88.1	Confident	94.4	Very high	24 Å²	24	29.9 Å²	29.9	25%	0.247	14%	0.139	C	C	.	.	S	Bend	trans	90.7	-5.5	-168.6	0	0	0	0	0	113.7	F491 R492 E521	F491-G494 PolarHBondContact O-N 2.85Å; F491-G494 VanDerWaalsContact O-N 3.1Å; R492-G494 PolarHBondContact O-N 3.46Å; G494-E521 WeakPolarHBondContact CA-OE1 3.39Å
495	E	89.4	Confident	94.3	Very high	54 Å²	54	29.9 Å²	29.9	25%	0.252	14%	0.139	S	C	.	.			trans	-70.8	144.8	174.5	-71.2	-66	151.7	0	0	111.7	K437 L490 F491 S493 E534	K437-E495 VanDerWaalsContact CE-CD 3.49Å; K437-E495 WeakPolarHBondContact CE-OE1 3.35Å; K437-E495 WeakPolarHBondContact CE-OE2 3.5Å; K437-E495 IonicContact NZ-OE1 3.21Å; K437-E495 PolarHBondContact NZ-OE1 3.35Å; K437-E495 IonicContact NZ-OE2 3.66Å; K437-E495 PolarHBondContact NZ-OE2 3.22Å; L490-E495 CarbonylContact C-O 3.49Å; L490-E495 VanDerWaalsContact CA-O 3.23Å; L490-E495 WeakPolarHBondContact CA-O 3.29Å; F491-E495 HydrophobicContact CD2-CB 4.17Å; F491-E495 WeakPolarHBondContact CD2-O 3.49Å; F491-E495 PolarHBondContact N-O 3.37Å; S493-E495 WeakPolarHBondContact OG-CB 3.39Å; S493-E495 PolarHBondContact OG-N 3.01Å; S493-E495 VanDerWaalsContact OG-N 3.17Å; E495-E534 HydrophobicContact CB-CG 4.42Å; E495-E534 HydrophobicContact CG-CG 3.79Å
496	G	92.3	Very high	94.1	Very high	8 Å²	8	29.9 Å²	29.9	8%	0.082	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-69.6	130	178.7	0	0	0	0	0	112.6	Y498	G496-Y498 WeakPolarHBondContact O-CD2 3.46Å; G496-Y498 PolarHBondContact O-N 2.91Å
497	D	94.6	Very high	93.8	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.053	14%	0.137	C	C	.	.			trans	-83.1	95.3	171	-170.8	-9.3	0	0	0	109.5	N489 F491 R499 T500	N489-D497 PolarHBondContact O-N 3.45Å; F491-D497 HydrophobicContact CD2-CB 4.22Å; F491-D497 HydrophobicContact CE1-CB 4.09Å; F491-D497 HydrophobicContact CE2-CB 3.73Å; F491-D497 HydrophobicContact CZ-CB 3.64Å; D497-R499 PolarHBondContact O-N 2.9Å; D497-R499 VanDerWaalsContact OD1-CB 3.26Å; D497-R499 WeakPolarHBondContact OD1-CB 3.49Å; D497-R499 WeakPolarHBondContact OD1-CG 3.21Å; D497-R499 IonicContact OD1-CZ 3.01Å; D497-R499 PolarHBondContact OD1-N 3.21Å; D497-R499 VanDerWaalsContact OD1-N 3.08Å; D497-R499 IonicContact OD1-NE 2.69Å; D497-R499 PolarHBondContact OD1-NE 3.2Å; D497-R499 IonicContact OD1-NH2 3.11Å; D497-R499 IonicContact OD2-CZ 3.14Å; D497-R499 IonicContact OD2-NE 3.72Å; D497-R499 PolarHBondContact OD2-NE 3.26Å; D497-R499 IonicContact OD2-NH2 2.75Å; D497-R499 PolarHBondContact OD2-NH2 3.08Å; D497-T500 HydrophobicContact CB-CG2 3.84Å; D497-T500 WeakPolarHBondContact O-CB 3.29Å; D497-T500 PolarHBondContact O-N 3.21Å; D497-T500 PolarHBondContact O-OG1 3.49Å
498	Y	93.2	Very high	93.5	Very high	99 Å²	99	29.9 Å²	29.9	39%	0.388	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-59.4	-18.2	-179.8	-72.1	-87.8	0	0	0	113.8	F432 F434 R436 G496 T500 R501	F432-Y498 HydrophobicContact CE1-CD1 4.28Å; F432-Y498 WeakPolarHBondContact CE1-O 3.43Å; F432-Y498 HydrophobicContact CE2-CD1 4.07Å; F432-Y498 AromaticContact CZ-CD1 3.69Å; F432-Y498 HydrophobicContact CZ-CD1 3.69Å; F432-Y498 HydrophobicContact CZ-CG 4.46Å; F434-Y498 HydrophobicContact CZ-CD1 4.36Å; F434-Y498 HydrophobicContact CZ-CE1 4.4Å; R436-Y498 HydrophobicContact CG-CE1 4.42Å; G496-Y498 WeakPolarHBondContact O-CD2 3.46Å; G496-Y498 PolarHBondContact O-N 2.91Å; Y498-T500 PolarHBondContact O-N 3.38Å; Y498-R501 PolarHBondContact O-N 3.43Å
499	R	93.9	Very high	93.1	Very high	94 Å²	94	27.6 Å²	27.6	36%	0.355	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-68.4	-22.5	175.1	-59	172.3	-64.9	172.7	3.8	111.7	S336 P337 F473 D497 R501	S336-R499 PolarHBondContact OG-NH1 3.45Å; P337-R499 HydrophobicContact CG-CB 3.68Å; F473-R499 HydrophobicContact CD1-CB 4.04Å; F473-R499 VanDerWaalsContact CD1-O 3.26Å; F473-R499 WeakPolarHBondContact CD1-O 3.39Å; F473-R499 HydrophobicContact CE1-CB 4.39Å; F473-R499 WeakPolarHBondContact CE1-O 3.37Å; D497-R499 PolarHBondContact O-N 2.9Å; D497-R499 VanDerWaalsContact OD1-CB 3.26Å; D497-R499 WeakPolarHBondContact OD1-CB 3.49Å; D497-R499 WeakPolarHBondContact OD1-CG 3.21Å; D497-R499 IonicContact OD1-CZ 3.01Å; D497-R499 PolarHBondContact OD1-N 3.21Å; D497-R499 VanDerWaalsContact OD1-N 3.08Å; D497-R499 IonicContact OD1-NE 2.69Å; D497-R499 PolarHBondContact OD1-NE 3.2Å; D497-R499 IonicContact OD1-NH2 3.11Å; D497-R499 IonicContact OD2-CZ 3.14Å; D497-R499 IonicContact OD2-NE 3.72Å; D497-R499 PolarHBondContact OD2-NE 3.26Å; D497-R499 IonicContact OD2-NH2 2.75Å; D497-R499 PolarHBondContact OD2-NH2 3.08Å; R499-R501 PolarHBondContact O-N 3Å; R499-R501 VanDerWaalsContact O-N 3.14Å
500	T	95.5	Very high	92.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-77.1	9.3	-178.5	67	0	0	0	0	113.5	Y488 D497 Y498 H502	Y488-T500 VanDerWaalsContact O-CG2 3.23Å; Y488-T500 WeakPolarHBondContact O-CG2 3.49Å; D497-T500 HydrophobicContact CB-CG2 3.84Å; D497-T500 WeakPolarHBondContact O-CB 3.29Å; D497-T500 PolarHBondContact O-N 3.21Å; D497-T500 PolarHBondContact O-OG1 3.49Å; Y498-T500 PolarHBondContact O-N 3.38Å; T500-H502 PolarHBondContact O-N 3.02Å; T500-H502 PolarHBondContact O-ND1 2.68Å
501	R	94.9	Very high	92.3	Very high	46 Å²	46	29.5 Å²	29.5	17%	0.174	15%	0.15	C	C	.	.			trans	-54.9	123.5	168.9	-162.9	170.4	178.4	77.1	1.2	108.7	E287 P430 H431 F432 F470 P471 Y498 R499	E287-R501 IonicContact OE1-CZ 3.45Å; E287-R501 IonicContact OE1-NE 2.73Å; E287-R501 PolarHBondContact OE1-NE 3.47Å; E287-R501 IonicContact OE1-NH2 3.6Å; E287-R501 PolarHBondContact OE1-NH2 3.41Å; P430-R501 HydrophobicContact CB-CG 4.33Å; P430-R501 PolarHBondContact O-NH2 3.41Å; H431-R501 WeakPolarHBondContact O-CA 3.45Å; F432-R501 HydrophobicContact CD1-CB 4.11Å; F432-R501 HydrophobicContact CD1-CG 4.44Å; F432-R501 HydrophobicContact CE1-CB 3.4Å; F432-R501 HydrophobicContact CE1-CG 3.92Å; F432-R501 HydrophobicContact CE2-CG 4.35Å; F432-R501 HydrophobicContact CZ-CB 3.7Å; F432-R501 HydrophobicContact CZ-CG 3.85Å; F470-R501 WeakPolarHBondContact CA-O 3.48Å; P471-R501 WeakPolarHBondContact CD-O 3.29Å; Y498-R501 PolarHBondContact O-N 3.43Å; R499-R501 PolarHBondContact O-N 3Å; R499-R501 VanDerWaalsContact O-N 3.14Å
502	H	96.1	Very high	92.3	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.046	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161.4	-172.7	65.9	-81.8	0	0	0	112.3	P430 H431 D433 V469 F470 W487 T500	P430-H502 CarbonylContact C-O 3.58Å; P430-H502 WeakPolarHBondContact CA-O 3.31Å; H431-H502 AromaticContact CE1-NE2 3.83Å; H431-H502 PolarHBondContact N-O 3.08Å; H431-H502 PolarHBondContact ND1-O 3.45Å; H431-H502 AromaticContact NE2-NE2 3.51Å; H431-H502 PolarHBondContact O-N 3.18Å; D433-H502 IonicContact OD1-CE1 3.49Å; D433-H502 IonicContact OD2-CE1 3.57Å; D433-H502 PolarHBondContact OD2-CE1 2.91Å; D433-H502 IonicContact OD2-NE2 2.88Å; V469-H502 CarbonylContact O-C 3.48Å; V469-H502 WeakPolarHBondContact O-CA 3.46Å; V469-H502 WeakPolarHBondContact O-CB 3.49Å; F470-H502 HydrophobicContact CD1-CB 3.61Å; F470-H502 HydrophobicContact CE1-CB 3.54Å; F470-H502 HydrophobicContact CE2-CB 4.43Å; F470-H502 HydrophobicContact CG-CB 4.11Å; F470-H502 HydrophobicContact CZ-CB 3.96Å; W487-H502 AromaticContact CZ2-CD2 3.99Å; W487-H502 AromaticContact CZ2-CE1 3.66Å; W487-H502 AromaticContact CZ2-ND1 3.99Å; W487-H502 AromaticContact CZ2-NE2 3.64Å; T500-H502 PolarHBondContact O-N 3.02Å; T500-H502 PolarHBondContact O-ND1 2.68Å
503	A	95	Very high	92.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.7	-177.7	0	0	0	0	0	110.7	Y291 Y428 P430 T468 V469	Y291-A503 HydrophobicContact CD2-CB 3.64Å; Y291-A503 HydrophobicContact CE2-CB 3.48Å; Y291-A503 VanDerWaalsContact CE2-CB 3.48Å; Y428-A503 CarbonylContact O-C 3.48Å; Y428-A503 WeakPolarHBondContact O-CA 3.5Å; Y428-A503 VanDerWaalsContact O-CB 3.32Å; Y428-A503 WeakPolarHBondContact O-CB 3.43Å; P430-A503 HydrophobicContact CB-CB 4.44Å; P430-A503 HydrophobicContact CG-CB 3.95Å; T468-A503 CarbonylContact C-O 3.54Å; T468-A503 WeakPolarHBondContact CA-O 3.42Å; V469-A503 HydrophobicContact CG2-CB 3.89Å; V469-A503 PolarHBondContact N-O 3.2Å; V469-A503 PolarHBondContact O-N 2.73Å
504	A	95	Very high	92.8	Very high	9 Å²	9	22 Å²	22	7%	0.074	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.9	164.4	0	0	0	0	0	108.4	Y422 Q427 Y428	Y422-A504 HydrophobicContact CE1-CB 4.43Å; Q427-A504 WeakPolarHBondContact CA-O 2.82Å; Q427-A504 WeakPolarHBondContact CB-O 3.31Å; Y428-A504 PolarHBondContact N-O 3.31Å; Y428-A504 PolarHBondContact O-N 3.28Å
505	C	95.4	Very high	93.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-56.4	149.8	175.1	-69.8	0	0	0	0	111.3	C295 G466 A467 V469 V507	C295-C505 WeakPolarHBondContact CA-SG 3.48Å; C295-C505 HydrophobicContact CB-CB 3.71Å; C295-C505 WeakPolarHBondContact CB-SG 3.39Å; C295-C505 VanDerWaalsContact SG-CA 3.55Å; C295-C505 WeakPolarHBondContact SG-CB 3.25Å; C295-C505 CovalentContact SG-SG 2.03Å; C295-C505 PolarHBondContact SG-SG 3.37Å; G466-C505 WeakPolarHBondContact CA-O 3.23Å; A467-C505 HydrophobicContact CB-CB 4.39Å; A467-C505 WeakPolarHBondContact O-CB 3.48Å; A467-C505 PolarHBondContact O-N 2.61Å; V469-C505 WeakPolarHBondContact CG1-SG 3.36Å; C505-V507 PolarHBondContact O-N 3.45Å
506	P	94.5	Very high	93.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-59.2	137.3	176.5	-19.3	33.8	0	0	0	110.3	R138 L139 T142 Y143 Y291 G426 Q427 G466 L508	R138-P506 HydrophobicContact CG-CG 4.03Å; L139-P506 HydrophobicContact CD2-CB 3.67Å; T142-P506 HydrophobicContact CG2-CG 4.06Å; Y143-P506 HydrophobicContact CE2-CB 4.31Å; Y143-P506 PolarHBondContact OH-O 3.15Å; Y291-P506 WeakPolarHBondContact OH-CD 3.47Å; G426-P506 WeakPolarHBondContact O-CA 3.42Å; Q427-P506 HydrophobicContact CB-CB 4.26Å; Q427-P506 HydrophobicContact CB-CG 3.99Å; G466-P506 PolarHBondContact N-O 2.97Å; G466-P506 VanDerWaalsContact N-O 3.12Å; P506-L508 PolarHBondContact O-N 3.45Å
507	V	92.8	Very high	93.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	117.1	173.3	179.8	0	0	0	0	108.9	G425 G426 V462 C505 G510 K512	G425-V507 PolarHBondContact N-O 2.9Å; G426-V507 PolarHBondContact O-N 2.9Å; V462-V507 HydrophobicContact CG1-CG1 3.82Å; C505-V507 PolarHBondContact O-N 3.45Å; V507-G510 VanDerWaalsContact CG1-O 3.26Å; V507-G510 WeakPolarHBondContact CG1-O 3.44Å; V507-K512 HydrophobicContact CG2-CB 3.61Å
508	L	90.4	Very high	93.8	Very high	13 Å²	13	18.9 Å²	18.9	7%	0.068	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-49.8	178.8	-178.4	60.2	0	0	0	110.5	L139 Y143 L145 L155 A464 P506	L139-L508 HydrophobicContact CB-CD1 4.28Å; L139-L508 HydrophobicContact CD1-CD1 4.22Å; L139-L508 HydrophobicContact CD2-CB 4.34Å; L139-L508 HydrophobicContact CD2-CD1 4Å; L139-L508 HydrophobicContact CG-CD1 4.4Å; Y143-L508 HydrophobicContact CD1-CD2 4.32Å; Y143-L508 HydrophobicContact CD2-CB 4.18Å; Y143-L508 HydrophobicContact CD2-CD1 3.94Å; Y143-L508 HydrophobicContact CD2-CD2 4.2Å; Y143-L508 HydrophobicContact CD2-CG 4.33Å; Y143-L508 HydrophobicContact CE2-CB 3.81Å; Y143-L508 HydrophobicContact CE2-CD1 4.37Å; Y143-L508 HydrophobicContact CE2-CG 4.45Å; Y143-L508 HydrophobicContact CG-CD2 4.09Å; L145-L508 HydrophobicContact CD1-CD1 3.94Å; L155-L508 HydrophobicContact CD1-CD1 4.1Å; L155-L508 HydrophobicContact CD1-CG 4.39Å; L155-L508 HydrophobicContact CD2-CD1 4.31Å; A464-L508 HydrophobicContact CB-CB 4Å; A464-L508 HydrophobicContact CB-CD2 4.07Å; A464-L508 HydrophobicContact CB-CG 4.23Å; A464-L508 WeakPolarHBondContact O-CB 3.44Å; A464-L508 PolarHBondContact O-N 3.2Å; P506-L508 PolarHBondContact O-N 3.45Å
509	V	88.8	Confident	94	Very high	24 Å²	24	14.2 Å²	14.2	15%	0.145	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.5	176.1	-174.4	0	0	0	0	110.5	L155 V158 V462 E463 A464	L155-V509 HydrophobicContact CD1-CG2 4Å; V158-V509 HydrophobicContact CB-CG2 4.07Å; V158-V509 HydrophobicContact CG1-CG1 4.11Å; V158-V509 HydrophobicContact CG1-CG2 4.18Å; V158-V509 HydrophobicContact CG2-CB 4.26Å; V158-V509 HydrophobicContact CG2-CG1 4.27Å; V158-V509 HydrophobicContact CG2-CG2 3.87Å; V462-V509 WeakPolarHBondContact CG1-O 3.31Å; E463-V509 HydrophobicContact CB-CB 4.17Å; E463-V509 HydrophobicContact CB-CG1 4.04Å; E463-V509 HydrophobicContact CG-CB 4.41Å; E463-V509 HydrophobicContact CG-CG1 4.14Å; E463-V509 PolarHBondContact N-O 3.39Å; E463-V509 VanDerWaalsContact OE2-CG1 3.25Å; E463-V509 WeakPolarHBondContact OE2-CG1 3.41Å; A464-V509 HydrophobicContact CB-CB 4Å; A464-V509 HydrophobicContact CB-CG2 4.11Å; A464-V509 PolarHBondContact N-O 2.94Å; A464-V509 PolarHBondContact O-N 3.3Å
510	G	86.9	Confident	94	Very high	26 Å²	26	9.8 Å²	9.8	27%	0.268	6%	0.056	S	C	.	.	S	Bend	trans	97	-161	179.6	0	0	0	0	0	113.4	I27 V507	I27-G510 WeakPolarHBondContact CD1-O 3.5Å; V507-G510 VanDerWaalsContact CG1-O 3.26Å; V507-G510 WeakPolarHBondContact CG1-O 3.44Å
511	S	88.2	Confident	93.8	Very high	16 Å²	16	12.6 Å²	12.6	11%	0.112	7%	0.069	C	C	.	.			trans	-129.3	131.4	178.7	-161.8	0	0	0	0	110.8	N421 Y422 S460	N421-S511 PolarHBondContact ND2-OG 3.42Å; Y422-S511 PolarHBondContact O-OG 3.04Å; S460-S511 WeakPolarHBondContact CB-O 3.27Å; S460-S511 PolarHBondContact OG-O 3.21Å
512	K	92.6	Very high	93.6	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.013	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115.5	173.3	-177.6	179.2	-179.3	174.9	0	110	N421 Y422 S460 V462 G466 V507 V514	N421-K512 WeakPolarHBondContact CA-O 3.41Å; N421-K512 PolarHBondContact ND2-O 3.42Å; Y422-K512 HydrophobicContact CD2-CB 4.2Å; Y422-K512 HydrophobicContact CD2-CD 4.1Å; Y422-K512 HydrophobicContact CD2-CG 4.1Å; Y422-K512 PolarHBondContact N-O 2.97Å; Y422-K512 PolarHBondContact O-N 3.16Å; Y422-K512 VanDerWaalsContact O-N 3.1Å; S460-K512 WeakPolarHBondContact OG-CA 3.23Å; V462-K512 HydrophobicContact CG2-CB 3.75Å; V462-K512 HydrophobicContact CG2-CG 4.15Å; G466-K512 WeakPolarHBondContact O-CD 3.34Å; G466-K512 VanDerWaalsContact O-CE 3.29Å; G466-K512 WeakPolarHBondContact O-CE 3.36Å; G466-K512 PolarHBondContact O-NZ 2.99Å; V507-K512 HydrophobicContact CG2-CB 3.61Å; K512-V514 HydrophobicContact CD-CG1 4.36Å; K512-V514 HydrophobicContact CG-CG1 3.96Å
513	W	94.9	Very high	93.4	Very high	19 Å²	19	18.2 Å²	18.2	7%	0.072	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.1	167.1	-73.8	84.7	0	0	0	108.7	K355 K359 L362 V419 A420 N421 M459 S460	K355-W513 HydrophobicContact CD-CD2 4.25Å; K355-W513 HydrophobicContact CD-CG 4.43Å; K355-W513 HydrophobicContact CG-CD2 4.12Å; K355-W513 HydrophobicContact CG-CE3 3.9Å; K355-W513 HydrophobicContact CG-CZ3 4.17Å; K359-W513 HydrophobicContact CG-CH2 4.09Å; L362-W513 HydrophobicContact CD1-CH2 3.57Å; L362-W513 HydrophobicContact CD1-CZ2 4.5Å; L362-W513 HydrophobicContact CD1-CZ3 4Å; V419-W513 HydrophobicContact CG1-CE3 3.99Å; V419-W513 HydrophobicContact CG1-CZ3 4.04Å; A420-W513 WeakPolarHBondContact O-CA 3.47Å; N421-W513 HydrophobicContact CB-CD2 3.97Å; N421-W513 HydrophobicContact CB-CE3 3.94Å; N421-W513 HydrophobicContact CB-CH2 3.99Å; N421-W513 HydrophobicContact CB-CZ2 3.96Å; N421-W513 HydrophobicContact CB-CZ3 3.96Å; N421-W513 VanDerWaalsContact ND2-CD1 3.34Å; N421-W513 PolarHBondContact ND2-NE1 3.29Å; M459-W513 HydrophobicContact CB-CB 3.87Å; M459-W513 HydrophobicContact CE-CB 4.43Å; M459-W513 PolarHBondContact N-O 3.33Å; S460-W513 PolarHBondContact OG-N 3.14Å
514	V	96.6	Very high	93.3	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.03	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.1	174.2	-63.8	0	0	0	0	110.4	A420 Y422 L456 N457 Y458 K512	A420-V514 HydrophobicContact CB-CG2 3.95Å; A420-V514 PolarHBondContact N-O 3.18Å; A420-V514 PolarHBondContact O-N 3.01Å; Y422-V514 HydrophobicContact CE2-CG2 3.83Å; L456-V514 HydrophobicContact CD1-CB 3.83Å; L456-V514 HydrophobicContact CD1-CG1 4.33Å; L456-V514 HydrophobicContact CD1-CG2 4.04Å; N457-V514 CarbonylContact O-C 3.53Å; N457-V514 WeakPolarHBondContact O-CA 3.47Å; N457-V514 VanDerWaalsContact O-CB 3.29Å; N457-V514 WeakPolarHBondContact O-CB 3.3Å; Y458-V514 HydrophobicContact CD1-CG1 3.72Å; Y458-V514 HydrophobicContact CE1-CG1 4.15Å; K512-V514 HydrophobicContact CD-CG1 4.36Å; K512-V514 HydrophobicContact CG-CG1 3.96Å
515	S	96.8	Very high	93	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.3	163.9	64.9	0	0	0	0	110.5	Q418 N457	Q418-S515 CarbonylContact O-C 3.56Å; Q418-S515 WeakPolarHBondContact O-CA 3.45Å; N457-S515 WeakPolarHBondContact CB-OG 3.13Å; N457-S515 PolarHBondContact N-O 3.34Å; N457-S515 PolarHBondContact ND2-O 2.92Å; N457-S515 PolarHBondContact ND2-OG 2.84Å; N457-S515 PolarHBondContact O-N 3.27Å
516	N	95.8	Very high	92.8	Very high	14 Å²	14	32.5 Å²	32.5	8%	0.075	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.7	-177.1	-159	2.7	0	0	0	110.5	Q418 T454 F455 L456 W518	Q418-N516 HydrophobicContact CB-CB 4.38Å; Q418-N516 PolarHBondContact N-O 3.49Å; Q418-N516 PolarHBondContact O-N 3.3Å; T454-N516 WeakPolarHBondContact CG2-OD1 3.47Å; F455-N516 PolarHBondContact O-OD1 3.21Å; L456-N516 HydrophobicContact CD1-CB 4.12Å; N516-W518 WeakPolarHBondContact ND2-CZ2 3.46Å; N516-W518 PolarHBondContact ND2-NE1 3.46Å; N516-W518 VanDerWaalsContact ND2-NE1 3.16Å
517	K	97.1	Very high	92.6	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.7	173	-170.2	74	169.8	179	0	108.4	N400 I403 A414 E415 L417 F455	N400-K517 WeakPolarHBondContact OD1-CE 3.36Å; N400-K517 PolarHBondContact OD1-NZ 2.74Å; I403-K517 HydrophobicContact CD1-CB 3.99Å; I403-K517 HydrophobicContact CD1-CG 4.05Å; A414-K517 HydrophobicContact CB-CD 4.42Å; E415-K517 WeakPolarHBondContact O-CD 3.42Å; E415-K517 VanDerWaalsContact O-CE 3.32Å; E415-K517 WeakPolarHBondContact O-CE 3.48Å; E415-K517 PolarHBondContact O-NZ 3.14Å; L417-K517 HydrophobicContact CD1-CB 4.33Å; L417-K517 HydrophobicContact CD1-CD 4.46Å; F455-K517 HydrophobicContact CB-CB 4.25Å; F455-K517 PolarHBondContact N-O 2.94Å; F455-K517 PolarHBondContact O-N 3.23Å
518	W	96.5	Very high	92.5	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118	175.7	-69.5	-60.8	0	0	0	110.4	W387 A414 E415 Q418 D433 R451 N516	W387-W518 AromaticContact CH2-CE3 3.98Å; W387-W518 HydrophobicContact CH2-CE3 3.98Å; W387-W518 HydrophobicContact CH2-CH2 4.43Å; W387-W518 AromaticContact CH2-CZ3 3.38Å; W387-W518 HydrophobicContact CH2-CZ3 3.38Å; W387-W518 HydrophobicContact CZ2-CZ3 4.28Å; W387-W518 HydrophobicContact CZ3-CE3 4.09Å; W387-W518 AromaticContact CZ3-CZ3 3.77Å; W387-W518 HydrophobicContact CZ3-CZ3 3.77Å; A414-W518 VanDerWaalsContact CA-O 3.26Å; A414-W518 WeakPolarHBondContact CA-O 3.44Å; A414-W518 VanDerWaalsContact CB-O 3.23Å; A414-W518 WeakPolarHBondContact CB-O 3.42Å; E415-W518 HydrophobicContact CB-CB 4.41Å; E415-W518 HydrophobicContact CB-CE3 4.46Å; E415-W518 HydrophobicContact CG-CB 4.23Å; E415-W518 PolarHBondContact N-O 3.08Å; Q418-W518 HydrophobicContact CB-CZ3 4.07Å; Q418-W518 HydrophobicContact CG-CZ3 4.47Å; Q418-W518 VanDerWaalsContact OE1-CH2 3.28Å; D433-W518 PolarHBondContact OD1-NE1 3.31Å; D433-W518 VanDerWaalsContact OD1-NE1 3.07Å; D433-W518 PolarHBondContact OD2-NE1 2.98Å; R451-W518 HydrophobicContact CG-CB 4.02Å; R451-W518 HydrophobicContact CG-CG 4.38Å; R451-W518 VanDerWaalsContact CZ-CD2 3.48Å; R451-W518 VanDerWaalsContact NH2-CE3 3.35Å; N516-W518 WeakPolarHBondContact ND2-CZ2 3.46Å; N516-W518 PolarHBondContact ND2-NE1 3.46Å; N516-W518 VanDerWaalsContact ND2-NE1 3.16Å
519	I	96.4	Very high	92.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.7	-179.6	-56.1	174	0	0	0	107.9	I403 L409 R451 L452 A453	I403-I519 HydrophobicContact CG2-CD1 4.08Å; L409-I519 HydrophobicContact CB-CD1 4.24Å; L409-I519 HydrophobicContact CB-CG2 4.09Å; L409-I519 HydrophobicContact CD1-CD1 3.99Å; L409-I519 HydrophobicContact CD1-CG2 4.18Å; R451-I519 CarbonylContact C-O 3.44Å; L452-I519 WeakPolarHBondContact CB-O 3.39Å; L452-I519 PolarHBondContact N-O 3.47Å; A453-I519 PolarHBondContact N-O 2.96Å; A453-I519 PolarHBondContact O-N 3.49Å
520	H	94.1	Very high	92.3	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	160.5	179.8	-74.6	-97.7	0	0	0	112.8	T413 E415 F443 T448 G449 N450 Q524	T413-H520 PolarHBondContact O-CD2 3.2Å; E415-H520 WeakPolarHBondContact CG-NE2 3.49Å; E415-H520 IonicContact OE1-CE1 2.92Å; E415-H520 IonicContact OE1-NE2 3.64Å; E415-H520 PolarHBondContact OE1-NE2 3.45Å; F443-H520 AromaticContact CD1-CE1 3.71Å; F443-H520 AromaticContact CE1-CE1 3.72Å; T448-H520 WeakPolarHBondContact O-CB 3.37Å; T448-H520 PolarHBondContact OG1-CE1 2.92Å; T448-H520 PolarHBondContact OG1-ND1 2.95Å; G449-H520 PolarHBondContact O-ND1 3.34Å; N450-H520 WeakPolarHBondContact O-CA 3.49Å; H520-Q524 VanDerWaalsContact O-CG 3.24Å; H520-Q524 WeakPolarHBondContact O-CG 3.5Å; H520-Q524 PolarHBondContact O-NE2 2.97Å
521	E	91.8	Very high	92.2	Very high	59 Å²	59	46.5 Å²	46.5	28%	0.276	23%	0.234	S	C	.	.	S	Bend	trans	-65	-36.6	178.7	-67.7	175.4	116.3	0	0	113.7	N450 L452 L490 G494 G523 Q524	N450-E521 VanDerWaalsContact CB-OE2 3.23Å; N450-E521 WeakPolarHBondContact CB-OE2 3.36Å; N450-E521 PolarHBondContact N-OE2 3Å; N450-E521 PolarHBondContact O-N 3.46Å; N450-E521 VanDerWaalsContact O-N 3.11Å; L452-E521 HydrophobicContact CB-CG 4.08Å; L452-E521 HydrophobicContact CD1-CG 4.25Å; L490-E521 HydrophobicContact CD1-CG 3.55Å; L490-E521 WeakPolarHBondContact CD1-OE1 3.3Å; G494-E521 WeakPolarHBondContact CA-OE1 3.39Å; E521-G523 PolarHBondContact O-N 3.33Å; E521-Q524 VanDerWaalsContact O-CB 3.32Å; E521-Q524 WeakPolarHBondContact O-CB 3.3Å; E521-Q524 WeakPolarHBondContact O-CG 3.42Å; E521-Q524 PolarHBondContact O-N 2.9Å; E521-Q524 VanDerWaalsContact O-N 3.12Å
522	R	90.6	Very high	92.1	Very high	146 Å²	146	54.1 Å²	54.1	55%	0.551	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	134.5	-177.7	-171	172.2	-168.8	-179.2	0.6	110.8	T413 G447 T448 Q524	T413-R522 WeakPolarHBondContact CB-O 3.37Å; T413-R522 HydrophobicContact CG2-CB 4.3Å; T413-R522 HydrophobicContact CG2-CG 4.41Å; T413-R522 WeakPolarHBondContact CG2-O 3.05Å; T413-R522 PolarHBondContact OG1-O 3.42Å; G447-R522 WeakPolarHBondContact O-CD 3.22Å; G447-R522 PolarHBondContact O-NH1 3.48Å; T448-R522 WeakPolarHBondContact O-CB 3.44Å; T448-R522 PolarHBondContact O-N 3.24Å; T448-R522 VanDerWaalsContact O-N 3.15Å; R522-Q524 VanDerWaalsContact C-N 3.31Å
523	G	91.3	Very high	91.8	Very high	28 Å²	28	57.3 Å²	57.3	29%	0.289	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-3.6	-174.3	0	0	0	0	0	113.8	T410 E521 E525	T410-G523 WeakPolarHBondContact CG2-O 3.45Å; E521-G523 PolarHBondContact O-N 3.33Å; G523-E525 WeakPolarHBondContact CA-OE2 3.11Å; G523-E525 VanDerWaalsContact N-CD 3.33Å; G523-E525 PolarHBondContact N-OE1 2.86Å; G523-E525 PolarHBondContact N-OE2 3.17Å
524	Q	93.9	Very high	91	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.023	32%	0.316	C	S	.	.			trans	-101.4	0.9	177.9	-44.7	-55.9	-26.1	0	0	113.4	L409 T410 L452 H520 E521 R522 F526 R527 R528	L409-Q524 VanDerWaalsContact CA-OE1 3.25Å; L409-Q524 HydrophobicContact CD2-CG 4.45Å; T410-Q524 PolarHBondContact O-NE2 3.49Å; L452-Q524 HydrophobicContact CD2-CB 4.13Å; L452-Q524 HydrophobicContact CD2-CG 3.71Å; H520-Q524 VanDerWaalsContact O-CG 3.24Å; H520-Q524 WeakPolarHBondContact O-CG 3.5Å; H520-Q524 PolarHBondContact O-NE2 2.97Å; E521-Q524 VanDerWaalsContact O-CB 3.32Å; E521-Q524 WeakPolarHBondContact O-CB 3.3Å; E521-Q524 WeakPolarHBondContact O-CG 3.42Å; E521-Q524 PolarHBondContact O-N 2.9Å; E521-Q524 VanDerWaalsContact O-N 3.12Å; R522-Q524 VanDerWaalsContact C-N 3.31Å; Q524-F526 PolarHBondContact O-N 2.99Å; Q524-F526 VanDerWaalsContact O-N 3.08Å; Q524-R527 PolarHBondContact O-N 2.95Å; Q524-R528 HydrophobicContact CB-CB 4.46Å; Q524-R528 PolarHBondContact O-N 3.3Å
525	E	88.7	Confident	90.2	Very high	108 Å²	108	66.6 Å²	66.6	51%	0.505	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.9	-169.5	-57.6	82	178.3	0	0	112.2	G523	G523-E525 WeakPolarHBondContact CA-OE2 3.11Å; G523-E525 VanDerWaalsContact N-CD 3.33Å; G523-E525 PolarHBondContact N-OE1 2.86Å; G523-E525 PolarHBondContact N-OE2 3.17Å
526	F	90	Very high	89	Confident	197 Å²	197	71 Å²	71	86%	0.864	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-9.2	177.7	-56.9	-65.8	0	0	0	114.1	Q524	Q524-F526 PolarHBondContact O-N 2.99Å; Q524-F526 VanDerWaalsContact O-N 3.08Å
527	R	90.8	Very high	88.6	Confident	118 Å²	118	73.9 Å²	73.9	45%	0.445	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-29.7	-178.8	-67.3	175.6	170.5	-95.9	3.7	112.1	G408 Q524	G408-R527 WeakPolarHBondContact O-CD 3.49Å; G408-R527 PolarHBondContact O-NH1 2.87Å; Q524-R527 PolarHBondContact O-N 2.95Å
528	R	90.9	Very high	88.2	Confident	34 Å²	34	77.2 Å²	77.2	13%	0.128	40%	0.399	C	S	.	.	S	Bend	trans	-133.6	81.4	178.4	-170	-176.7	-170.3	-116.7	9.6	109.6	L409 Y488 L490 F491 Q524	L409-R528 HydrophobicContact CD2-CB 4.23Å; Y488-R528 VanDerWaalsContact CE1-NE 3.26Å; L490-R528 PolarHBondContact O-NH1 2.9Å; L490-R528 PolarHBondContact O-NH2 2.92Å; F491-R528 PolarHBondContact O-NH1 3.34Å; Q524-R528 HydrophobicContact CB-CB 4.46Å; Q524-R528 PolarHBondContact O-N 3.3Å
529	P	88.5	Confident	87.7	Confident	74 Å²	74	81.1 Å²	81.1	48%	0.481	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-59.7	147.3	178.4	-22.7	33.3	0	0	0	112.3	R492	R492-P529 PolarHBondContact NH1-O 3.14Å
530	C	85.8	Confident	87.2	Confident	106 Å²	106	85.9 Å²	85.9	72%	0.716	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-60	151.5	177.6	-55.9	0	0	0	0	112.3	R492	R492-C530 WeakPolarHBondContact O-CA 3.41Å
531	G	84.3	Confident	86.8	Confident	25 Å²	25	91.1 Å²	91.1	26%	0.258	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-76.3	173.8	172.8	0	0	0	0	0	112.2	R492	R492-G531 VanDerWaalsContact CB-N 3.29Å
532	L	86.4	Confident	86.5	Confident	176 Å²	176	93.3 Å²	93.3	92%	0.921	49%	0.485	S	S	*	.	S	Bend	trans	-86.2	-21.3	172.6	-61.8	178.2	0	0	0	111.7	D536	L532-D536 WeakPolarHBondContact CA-OD2 3.46Å; L532-D536 PolarHBondContact N-OD2 3.44Å
533	T	86	Confident	86.2	Confident	70 Å²	70	89.5 Å²	89.5	43%	0.429	48%	0.48	S	S	.	.	S	Bend	trans	-122	168.6	177	89.4	0	0	0	0	112.4	V535 D536	T533-V535 VanDerWaalsContact C-N 3.26Å; T533-V535 PolarHBondContact O-N 3.39Å; T533-V535 PolarHBondContact OG1-N 3.05Å; T533-D536 WeakPolarHBondContact CB-OD1 3.25Å; T533-D536 WeakPolarHBondContact CG2-OD1 3.39Å; T533-D536 PolarHBondContact N-OD2 3.18Å; T533-D536 PolarHBondContact OG1-N 3.08Å; T533-D536 PolarHBondContact OG1-OD1 3.02Å
534	E	80	Confident	85.8	Confident	120 Å²	120	94.2 Å²	94.2	56%	0.561	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-28	179.3	-167.5	175	-176.8	0	0	112.9	F491 S493 E495	F491-E534 WeakPolarHBondContact CB-O 3.19Å; S493-E534 WeakPolarHBondContact CB-O 3.43Å; S493-E534 PolarHBondContact OG-O 3.01Å; E495-E534 HydrophobicContact CB-CG 4.42Å; E495-E534 HydrophobicContact CG-CG 3.79Å
535	V	79.6	Confident	85.1	Confident	99 Å²	99	101.7 Å²	101.7	60%	0.6	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	12.8	-173.2	-62.7	0	0	0	0	113.5	F491 T533	F491-V535 HydrophobicContact CD1-CB 4.5Å; F491-V535 WeakPolarHBondContact CD1-O 3.44Å; F491-V535 HydrophobicContact CE1-CB 4.35Å; F491-V535 HydrophobicContact CE2-CG1 4.49Å; T533-V535 VanDerWaalsContact C-N 3.26Å; T533-V535 PolarHBondContact O-N 3.39Å; T533-V535 PolarHBondContact OG1-N 3.05Å
536	D	70.2	Confident	84.8	Confident	93 Å²	93	101.1 Å²	101.1	50%	0.497	54%	0.536	S	S	.	.			trans	-70.7	0	178.7	-82.6	3.8	0	0	0	114.3	R492 L532 T533	R492-D536 WeakPolarHBondContact CB-O 3.47Å; R492-D536 PolarHBondContact N-O 3.11Å; L532-D536 WeakPolarHBondContact CA-OD2 3.46Å; L532-D536 PolarHBondContact N-OD2 3.44Å; T533-D536 WeakPolarHBondContact CB-OD1 3.25Å; T533-D536 WeakPolarHBondContact CG2-OD1 3.39Å; T533-D536 PolarHBondContact N-OD2 3.18Å; T533-D536 PolarHBondContact OG1-N 3.08Å; T533-D536 PolarHBondContact OG1-OD1 3.02Å

Retrieved 536 of 536 residues in 483 ms (Link to these results)

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