A0A3Q0KSS3_SCHMA Loading...

Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1

Glycosyltransferase that generates the core 1 O-glycan Gal-beta1-3GalNAc-alpha1-Ser/Thr (T antigen), which is a precursor for many extended O-glycans in glycoproteins.

AlphaFold DB , UniProt , Accession A0A3Q0KSS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 342 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	34.9	Very low	32	Very low	232 Å²	232	152.8 Å²	152.8	100%	1.143	83%	0.83	S	S	*	*				0	97.9	0	-153.9	176	105.4	0	0	108
2	L	30.4	Very low	31.8	Very low	162 Å²	162	146.4 Å²	146.4	85%	0.848	83%	0.826	S	S	*	*			trans	-142.4	104.3	176.9	-108.7	134	0	0	0	107.7
3	L	30.9	Very low	31.6	Very low	124 Å²	124	140.5 Å²	140.5	65%	0.649	82%	0.818	S	S	*	*			trans	-101.8	114.9	176.2	-83.9	150	0	0	0	107.1	Y5	L3-Y5 HydrophobicContact CB-CE2 3.97Å
4	I	35.3	Very low	31.3	Very low	147 Å²	147	141.6 Å²	141.6	75%	0.754	82%	0.818	S	S	*	*			trans	-109.1	115.4	172.5	-61.9	176.2	0	0	0	107.8
5	Y	33.1	Very low	31.1	Very low	181 Å²	181	141.6 Å²	141.6	71%	0.71	81%	0.811	S	S	*	*			trans	-90.2	128.7	178.4	-65.4	-90.2	0	0	0	109.7	L3	L3-Y5 HydrophobicContact CB-CE2 3.97Å
6	T	34.8	Very low	30.8	Very low	140 Å²	140	137.6 Å²	137.6	86%	0.859	79%	0.79	S	S	*	*			trans	-112.7	123.7	161.4	39.9	0	0	0	0	109.1
7	I	29.6	Very low	30.6	Very low	165 Å²	165	137.9 Å²	137.9	85%	0.846	78%	0.783	S	S	*	*			trans	-87.4	116.9	-177	-65.9	164.9	0	0	0	107.8
8	G	27.9	Very low	30.5	Very low	67 Å²	67	140.2 Å²	140.2	69%	0.691	78%	0.783	S	S	*	*			trans	-129.2	107.3	166.5	0	0	0	0	0	109.4
9	M	27.9	Very low	30.3	Very low	168 Å²	168	143 Å²	143	83%	0.828	78%	0.781	S	S	*	*			trans	-67.4	128.1	168.6	-64.9	-176.1	-63.8	0	0	109.4
10	F	37.2	Very low	30.1	Very low	210 Å²	210	147.2 Å²	147.2	92%	0.921	79%	0.787	S	S	*	*			trans	-175.6	139.2	133.1	-98.9	-71.7	0	0	0	108.1
11	G	30	Very low	30.1	Very low	85 Å²	85	144.5 Å²	144.5	88%	0.876	79%	0.785	S	S	*	*	S	Bend	trans	-57.5	142.8	-165.5	0	0	0	0	0	115
12	G	29.5	Very low	30	Very low	76 Å²	76	140 Å²	140	78%	0.784	76%	0.761	S	S	*	*	S	Bend	trans	118.9	71.3	175.2	0	0	0	0	0	112.8
13	G	29.5	Very low	30.4	Very low	70 Å²	70	140.5 Å²	140.5	72%	0.722	76%	0.759	S	S	*	*			trans	50.5	95.6	158.9	0	0	0	0	0	117.5	I15	G13-I15 PolarHBondContact O-N 2.83Å
14	L	27	Very low	30.9	Very low	156 Å²	156	141.2 Å²	141.2	82%	0.817	76%	0.759	S	S	*	*			trans	-54	104.7	159.9	-96.5	98.7	0	0	0	110	V16	L14-V16 HydrophobicContact CB-CG2 4.41Å; L14-V16 HydrophobicContact CD2-CG2 3.85Å; L14-V16 PolarHBondContact O-N 2.83Å
15	I	29.1	Very low	31.2	Very low	141 Å²	141	140.3 Å²	140.3	72%	0.723	75%	0.752	S	S	*	*			trans	-87.7	95.2	153.6	-61.1	178.1	0	0	0	105.7	G13 H17	G13-I15 PolarHBondContact O-N 2.83Å; I15-H17 VanDerWaalsContact C-N 3.34Å; I15-H17 PolarHBondContact O-N 3.5Å
16	V	26.4	Very low	31.8	Very low	78 Å²	78	135.4 Å²	135.4	47%	0.473	74%	0.738	S	S	.	*			trans	-65.8	98.1	165.9	179.6	0	0	0	0	106.2	L14 F18	L14-V16 HydrophobicContact CB-CG2 4.41Å; L14-V16 HydrophobicContact CD2-CG2 3.85Å; L14-V16 PolarHBondContact O-N 2.83Å; V16-F18 VanDerWaalsContact C-N 3.28Å; V16-F18 HydrophobicContact CB-CD2 4.21Å; V16-F18 HydrophobicContact CB-CE2 3.91Å; V16-F18 HydrophobicContact CG1-CD1 4.5Å; V16-F18 HydrophobicContact CG1-CD2 3.75Å; V16-F18 HydrophobicContact CG1-CE1 4.33Å; V16-F18 HydrophobicContact CG1-CE2 3.54Å; V16-F18 HydrophobicContact CG1-CG 4.23Å; V16-F18 HydrophobicContact CG1-CZ 3.86Å; V16-F18 WeakPolarHBondContact O-CD2 3.47Å; V16-F18 PolarHBondContact O-N 2.93Å
17	H	26.9	Very low	32.2	Very low	143 Å²	143	133.4 Å²	133.4	66%	0.662	72%	0.721	S	S	*	*			trans	-70	94.4	166.2	-92.5	-78.6	0	0	0	108	I15 Y19	I15-H17 VanDerWaalsContact C-N 3.34Å; I15-H17 PolarHBondContact O-N 3.5Å; H17-Y19 VanDerWaalsContact C-N 3.29Å; H17-Y19 HydrophobicContact CB-CD2 4.06Å; H17-Y19 HydrophobicContact CB-CE2 4.3Å; H17-Y19 PolarHBondContact O-N 3.35Å
18	F	29	Very low	33.1	Very low	178 Å²	178	128.1 Å²	128.1	78%	0.781	69%	0.691	S	S	*	*			trans	-63.8	90.4	162.5	-71.6	-88.4	0	0	0	108.3	V16 Y20	V16-F18 VanDerWaalsContact C-N 3.28Å; V16-F18 HydrophobicContact CB-CD2 4.21Å; V16-F18 HydrophobicContact CB-CE2 3.91Å; V16-F18 HydrophobicContact CG1-CD1 4.5Å; V16-F18 HydrophobicContact CG1-CD2 3.75Å; V16-F18 HydrophobicContact CG1-CE1 4.33Å; V16-F18 HydrophobicContact CG1-CE2 3.54Å; V16-F18 HydrophobicContact CG1-CG 4.23Å; V16-F18 HydrophobicContact CG1-CZ 3.86Å; V16-F18 WeakPolarHBondContact O-CD2 3.47Å; V16-F18 PolarHBondContact O-N 2.93Å; F18-Y20 VanDerWaalsContact C-N 3.26Å; F18-Y20 PolarHBondContact O-N 2.86Å
19	Y	26.1	Very low	34	Very low	194 Å²	194	127.8 Å²	127.8	76%	0.761	68%	0.676	S	S	*	*			trans	-85.6	68.1	166.7	-97.6	-84.6	0	0	0	109.4	H17	H17-Y19 VanDerWaalsContact C-N 3.29Å; H17-Y19 HydrophobicContact CB-CD2 4.06Å; H17-Y19 HydrophobicContact CB-CE2 4.3Å; H17-Y19 PolarHBondContact O-N 3.35Å
20	Y	26.6	Very low	34.8	Very low	226 Å²	226	120.5 Å²	120.5	89%	0.886	64%	0.642	S	S	*	*	S	Bend	trans	-146.8	125.1	167.7	-95.7	-83.6	0	0	0	109.3	F18	F18-Y20 VanDerWaalsContact C-N 3.26Å; F18-Y20 PolarHBondContact O-N 2.86Å
21	A	30	Very low	35.2	Very low	92 Å²	92	110.8 Å²	110.8	76%	0.76	60%	0.6	S	S	*	*	S	Bend	trans	97.4	6.2	169.8	0	0	0	0	0	120.8
22	Q	33.1	Very low	35.9	Very low	137 Å²	137	108.7 Å²	108.7	64%	0.64	57%	0.569	S	S	*	*			trans	-81.2	-17.4	168.8	-92.6	-178.6	-49.7	0	0	114.8	E24 E25 D26	Q22-E24 VanDerWaalsContact C-N 3.32Å; Q22-E24 PolarHBondContact O-N 3.11Å; Q22-E25 PolarHBondContact O-N 3.08Å; Q22-D26 PolarHBondContact O-N 3.04Å; Q22-D26 VanDerWaalsContact O-N 3.14Å
23	H	39.5	Very low	36.5	Very low	172 Å²	172	110.4 Å²	110.4	80%	0.796	55%	0.554	S	S	*	*	H	α-helix	trans	-64	-27.7	-170.1	-104.4	-32.4	0	0	0	115.6
24	E	39.9	Very low	37.2	Very low	139 Å²	139	108.1 Å²	108.1	65%	0.65	53%	0.529	S	S	*	.	H	α-helix	trans	-88.7	-34.1	179	-81.4	-174.6	162.7	0	0	113.6	Q22 D26 L27 Y28	Q22-E24 VanDerWaalsContact C-N 3.32Å; Q22-E24 PolarHBondContact O-N 3.11Å; E24-D26 VanDerWaalsContact C-N 3.27Å; E24-D26 PolarHBondContact O-N 2.93Å; E24-L27 PolarHBondContact O-N 3.42Å; E24-Y28 PolarHBondContact O-N 3.09Å
25	E	42.7	Very low	38	Very low	128 Å²	128	102.7 Å²	102.7	60%	0.598	51%	0.506	S	S	*	.	H	α-helix	trans	-64.8	-35.9	172.4	-79.2	-165.6	154.5	0	0	111	Q22 L27 Y28 T29	Q22-E25 PolarHBondContact O-N 3.08Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 3.44Å; E25-Y28 PolarHBondContact O-N 2.84Å; E25-T29 VanDerWaalsContact O-CB 3.27Å; E25-T29 WeakPolarHBondContact O-CB 3.22Å; E25-T29 PolarHBondContact O-N 3.46Å; E25-T29 PolarHBondContact O-OG1 3.06Å
26	D	44.3	Very low	38.4	Very low	78 Å²	78	102.9 Å²	102.9	42%	0.417	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-37.4	176.4	-75.5	-23.2	0	0	0	112.1	Q22 E24 A30	Q22-D26 PolarHBondContact O-N 3.04Å; Q22-D26 VanDerWaalsContact O-N 3.14Å; E24-D26 VanDerWaalsContact C-N 3.27Å; E24-D26 PolarHBondContact O-N 2.93Å; D26-A30 WeakPolarHBondContact O-CA 3.35Å; D26-A30 WeakPolarHBondContact O-CB 3.38Å; D26-A30 PolarHBondContact O-N 3.12Å
27	L	44.8	Very low	38.8	Very low	98 Å²	98	101.9 Å²	101.9	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-68.6	-42.5	177.9	-163	79.6	0	0	0	111.6	E24 E25 T31	E24-L27 PolarHBondContact O-N 3.42Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 3.44Å; L27-T31 WeakPolarHBondContact O-CB 3.41Å; L27-T31 PolarHBondContact O-N 3.27Å; L27-T31 PolarHBondContact O-OG1 3.34Å
28	Y	46.8	Very low	39.2	Very low	55 Å²	55	97.9 Å²	97.9	22%	0.216	49%	0.485	C	S	.	.	H	α-helix	trans	-64.9	-45.5	176	178.8	-104.4	0	0	0	111.5	E24 E25 T31 L32 I333 Q337	E24-Y28 PolarHBondContact O-N 3.09Å; E25-Y28 PolarHBondContact O-N 2.84Å; Y28-T31 PolarHBondContact O-N 3.09Å; Y28-L32 HydrophobicContact CD1-CD1 4.06Å; Y28-L32 HydrophobicContact CD2-CD1 4.49Å; Y28-L32 HydrophobicContact CE1-CD1 3.46Å; Y28-L32 VanDerWaalsContact CE1-CD1 3.46Å; Y28-L32 HydrophobicContact CE2-CD1 3.92Å; Y28-L32 WeakPolarHBondContact O-CB 3.32Å; Y28-L32 PolarHBondContact O-N 3.43Å; Y28-I333 HydrophobicContact CE2-CG2 4.42Å; Y28-Q337 HydrophobicContact CE2-CG 4.12Å; Y28-Q337 PolarHBondContact OH-NE2 3.43Å; Y28-Q337 VanDerWaalsContact OH-NE2 3.09Å
29	T	46.8	Very low	39.7	Very low	60 Å²	60	99.5 Å²	99.5	37%	0.368	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-46.8	177.5	-51.3	0	0	0	0	110.2	E25 T31 L32 F33	E25-T29 VanDerWaalsContact O-CB 3.27Å; E25-T29 WeakPolarHBondContact O-CB 3.22Å; E25-T29 PolarHBondContact O-N 3.46Å; E25-T29 PolarHBondContact O-OG1 3.06Å; T29-T31 VanDerWaalsContact C-N 3.33Å; T29-T31 PolarHBondContact O-N 3.27Å; T29-L32 CarbonylContact O-C 3.58Å; T29-L32 WeakPolarHBondContact O-CB 3.22Å; T29-L32 PolarHBondContact O-N 3.31Å; T29-L32 VanDerWaalsContact O-N 3.11Å; T29-F33 HydrophobicContact CG2-CD2 3.64Å; T29-F33 HydrophobicContact CG2-CE2 3.65Å; T29-F33 WeakPolarHBondContact O-CB 3.32Å; T29-F33 VanDerWaalsContact O-CD2 3.3Å; T29-F33 WeakPolarHBondContact O-CD2 3.12Å; T29-F33 PolarHBondContact O-N 2.83Å
30	A	45.6	Very low	39.9	Very low	15 Å²	15	96.2 Å²	96.2	12%	0.124	49%	0.487	C	S	.	.	H	α-helix	trans	-61.8	-38.5	176.2	0	0	0	0	0	112.3	D26 F33 A34	D26-A30 WeakPolarHBondContact O-CA 3.35Å; D26-A30 WeakPolarHBondContact O-CB 3.38Å; D26-A30 PolarHBondContact O-N 3.12Å; A30-F33 PolarHBondContact O-N 2.82Å; A30-A34 WeakPolarHBondContact O-CB 3.47Å; A30-A34 PolarHBondContact O-N 2.81Å
31	T	45.1	Very low	40.1	Very low	5 Å²	5	89.2 Å²	89.2	3%	0.031	48%	0.476	C	S	.	.	H	α-helix	trans	-65.7	-40.9	173.8	-53.5	0	0	0	0	110.9	L27 Y28 T29 A35 L65 L332 L336	L27-T31 WeakPolarHBondContact O-CB 3.41Å; L27-T31 PolarHBondContact O-N 3.27Å; L27-T31 PolarHBondContact O-OG1 3.34Å; Y28-T31 PolarHBondContact O-N 3.09Å; T29-T31 VanDerWaalsContact C-N 3.33Å; T29-T31 PolarHBondContact O-N 3.27Å; T31-A35 PolarHBondContact O-N 2.97Å; T31-A35 VanDerWaalsContact O-N 3.09Å; T31-L65 HydrophobicContact CG2-CD2 4Å; T31-L332 HydrophobicContact CG2-CD2 3.64Å; T31-L332 HydrophobicContact CG2-CG 4.15Å; T31-L336 HydrophobicContact CG2-CD1 3.88Å
32	L	45	Very low	40.6	Very low	42 Å²	42	89.7 Å²	89.7	22%	0.22	48%	0.479	C	S	.	.	H	α-helix	trans	-66.9	-37.4	177.1	-127.6	112.1	0	0	0	112.3	Y28 T29 K36 Y329	Y28-L32 HydrophobicContact CD1-CD1 4.06Å; Y28-L32 HydrophobicContact CD2-CD1 4.49Å; Y28-L32 HydrophobicContact CE1-CD1 3.46Å; Y28-L32 VanDerWaalsContact CE1-CD1 3.46Å; Y28-L32 HydrophobicContact CE2-CD1 3.92Å; Y28-L32 WeakPolarHBondContact O-CB 3.32Å; Y28-L32 PolarHBondContact O-N 3.43Å; T29-L32 CarbonylContact O-C 3.58Å; T29-L32 WeakPolarHBondContact O-CB 3.22Å; T29-L32 PolarHBondContact O-N 3.31Å; T29-L32 VanDerWaalsContact O-N 3.11Å; L32-K36 VanDerWaalsContact O-CB 3.22Å; L32-K36 WeakPolarHBondContact O-CB 3.45Å; L32-K36 VanDerWaalsContact O-CG 3.23Å; L32-K36 WeakPolarHBondContact O-CG 3.4Å; L32-K36 PolarHBondContact O-N 3.25Å; L32-Y329 VanDerWaalsContact CA-OH 3.24Å; L32-Y329 WeakPolarHBondContact CA-OH 3.4Å; L32-Y329 PolarHBondContact O-OH 3.11Å
33	F	42.6	Very low	40.9	Very low	111 Å²	111	90 Å²	90	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-73	-47.4	176.3	-92.7	-82.6	0	0	0	111.5	T29 A30 A35 K36 S37	T29-F33 HydrophobicContact CG2-CD2 3.64Å; T29-F33 HydrophobicContact CG2-CE2 3.65Å; T29-F33 WeakPolarHBondContact O-CB 3.32Å; T29-F33 VanDerWaalsContact O-CD2 3.3Å; T29-F33 WeakPolarHBondContact O-CD2 3.12Å; T29-F33 PolarHBondContact O-N 2.83Å; A30-F33 PolarHBondContact O-N 2.82Å; F33-A35 PolarHBondContact O-N 3.15Å; F33-K36 PolarHBondContact O-N 3.48Å; F33-S37 PolarHBondContact O-N 3.2Å
34	A	44.6	Very low	41	Very low	23 Å²	23	87 Å²	87	19%	0.19	48%	0.475	C	S	.	.	H	α-helix	trans	-56.2	-41.7	178.6	0	0	0	0	0	111.7	A30 S37 L62	A30-A34 WeakPolarHBondContact O-CB 3.47Å; A30-A34 PolarHBondContact O-N 2.81Å; A34-S37 PolarHBondContact O-N 3.47Å; A34-L62 HydrophobicContact CB-CD2 3.6Å; A34-L62 HydrophobicContact CB-CG 4.35Å
35	A	42.3	Very low	41.3	Very low	41 Å²	41	85.3 Å²	85.3	34%	0.339	47%	0.471	S	S	.	.	H	α-helix	trans	-101.8	1.1	-176	0	0	0	0	0	114.8	T31 F33 Y329	T31-A35 PolarHBondContact O-N 2.97Å; T31-A35 VanDerWaalsContact O-N 3.09Å; F33-A35 PolarHBondContact O-N 3.15Å; A35-Y329 HydrophobicContact CB-CD1 4.1Å; A35-Y329 HydrophobicContact CB-CD2 2.95Å; A35-Y329 HydrophobicContact CB-CE1 4.14Å; A35-Y329 HydrophobicContact CB-CE2 3.03Å; A35-Y329 HydrophobicContact CB-CG 3.5Å; A35-Y329 VanDerWaalsContact CB-CG 3.5Å; A35-Y329 WeakPolarHBondContact O-CE1 3.4Å
36	K	38.3	Very low	41.1	Very low	145 Å²	145	82.1 Å²	82.1	63%	0.63	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-6	150.1	-85.9	179.2	176.2	-178.9	0	113.6	L32 F33 P38	L32-K36 VanDerWaalsContact O-CB 3.22Å; L32-K36 WeakPolarHBondContact O-CB 3.45Å; L32-K36 VanDerWaalsContact O-CG 3.23Å; L32-K36 WeakPolarHBondContact O-CG 3.4Å; L32-K36 PolarHBondContact O-N 3.25Å; F33-K36 PolarHBondContact O-N 3.48Å; K36-P38 WeakPolarHBondContact O-CD 3.25Å
37	S	33.9	Very low	40.9	Very low	57 Å²	57	84.3 Å²	84.3	40%	0.399	47%	0.47	S	S	.	.			trans	-110.1	76	-174.3	-174	0	0	0	0	113	F33 A34 K39	F33-S37 PolarHBondContact O-N 3.2Å; A34-S37 PolarHBondContact O-N 3.47Å; S37-K39 PolarHBondContact O-N 3Å
38	P	37	Very low	40.5	Very low	59 Å²	59	84.7 Å²	84.7	38%	0.383	47%	0.467	S	S	.	.			trans	-67.6	130	159	30.6	-27.8	0	0	0	106.8	K36 L40	K36-P38 WeakPolarHBondContact O-CD 3.25Å; P38-L40 VanDerWaalsContact C-N 3.31Å; P38-L40 PolarHBondContact O-N 3.4Å
39	K	38.1	Very low	40.3	Very low	213 Å²	213	89.2 Å²	89.2	93%	0.926	49%	0.49	S	S	*	.	S	Bend	trans	-51.2	87.4	177.3	-73	177.1	172.8	177.1	0	112.3	S37	S37-K39 PolarHBondContact O-N 3Å
40	L	31.6	Very low	39.8	Very low	125 Å²	125	91.1 Å²	91.1	65%	0.654	50%	0.498	S	S	*	.			trans	-159.5	115.6	177.1	-82.4	163.4	0	0	0	104.7	P38	P38-L40 VanDerWaalsContact C-N 3.31Å; P38-L40 PolarHBondContact O-N 3.4Å
41	A	30.8	Very low	39.3	Very low	79 Å²	79	93.8 Å²	93.8	65%	0.653	51%	0.509	S	S	*	.			cis	-140.4	148.2	12.2	0	0	0	0	0	108	N43	A41-N43 PolarHBondContact O-N 3.46Å
42	A	38.7	Very low	39.1	Very low	101 Å²	101	99.6 Å²	99.6	84%	0.835	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	17.1	-176.5	0	0	0	0	0	115.6
43	N	39.9	Very low	39.3	Very low	143 Å²	143	101.6 Å²	101.6	77%	0.765	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145	35.7	-169.4	-103.8	0.3	0	0	0	115.3	A41	A41-N43 PolarHBondContact O-N 3.46Å
44	D	42.5	Very low	39.6	Very low	109 Å²	109	101 Å²	101	58%	0.583	56%	0.558	S	S	*	*			trans	-112.5	105	167.1	-151.1	-16.8	0	0	0	110.7	A46 Y47	D44-A46 PolarHBondContact O-N 3.06Å; D44-Y47 PolarHBondContact O-N 3.43Å
45	D	46	Very low	39.6	Very low	105 Å²	105	104.3 Å²	104.3	56%	0.561	57%	0.573	S	S	*	*	H	α-helix	trans	-63.2	-19.3	-177.7	-72.6	-36.1	0	0	0	112.6	Y47 K48 Q49	D45-Y47 VanDerWaalsContact C-N 3.29Å; D45-Y47 PolarHBondContact O-N 3.15Å; D45-K48 PolarHBondContact O-N 3.38Å; D45-K48 IonicContact OD1-NZ 3.32Å; D45-K48 PolarHBondContact OD1-NZ 3.01Å; D45-Q49 PolarHBondContact O-N 2.73Å
46	A	39.3	Very low	39.9	Very low	61 Å²	61	106.3 Å²	106.3	50%	0.504	58%	0.584	S	S	.	*	H	α-helix	trans	-63.9	-31.9	172.2	0	0	0	0	0	112.7	D44 L50	D44-A46 PolarHBondContact O-N 3.06Å; A46-L50 PolarHBondContact O-N 3.13Å
47	Y	39.9	Very low	40.4	Very low	124 Å²	124	104.2 Å²	104.2	49%	0.486	58%	0.579	S	S	.	*	H	α-helix	trans	-79.3	-34.8	177.6	-172	-112	0	0	0	112.2	D44 D45 Q49 L50 I51	D44-Y47 PolarHBondContact O-N 3.43Å; D45-Y47 VanDerWaalsContact C-N 3.29Å; D45-Y47 PolarHBondContact O-N 3.15Å; Y47-Q49 VanDerWaalsContact C-N 3.28Å; Y47-Q49 PolarHBondContact O-N 2.95Å; Y47-L50 PolarHBondContact O-N 3.23Å; Y47-L50 VanDerWaalsContact O-N 3.12Å; Y47-I51 HydrophobicContact CD1-CD1 3.39Å; Y47-I51 HydrophobicContact CD1-CG1 4.04Å; Y47-I51 HydrophobicContact CE1-CD1 3.19Å; Y47-I51 HydrophobicContact CE1-CG1 3.73Å; Y47-I51 HydrophobicContact CE2-CG1 4.45Å; Y47-I51 HydrophobicContact CG-CD1 4.27Å; Y47-I51 WeakPolarHBondContact O-CG1 3.39Å; Y47-I51 PolarHBondContact O-N 2.95Å
48	K	36.2	Very low	40.8	Very low	106 Å²	106	104.9 Å²	104.9	46%	0.461	58%	0.576	S	S	.	*	H	α-helix	trans	-59.3	-40.7	173.4	-69.7	179.1	-168.7	150.3	0	111.5	D45 I52	D45-K48 PolarHBondContact O-N 3.38Å; D45-K48 IonicContact OD1-NZ 3.32Å; D45-K48 PolarHBondContact OD1-NZ 3.01Å; K48-I52 WeakPolarHBondContact O-CD1 3.49Å; K48-I52 WeakPolarHBondContact O-CG1 3.43Å; K48-I52 PolarHBondContact O-N 3.4Å
49	Q	41.2	Very low	41	Very low	149 Å²	149	108.8 Å²	108.8	70%	0.696	59%	0.589	S	S	*	*	H	α-helix	trans	-68.2	-33.8	176	-79	-178.3	-21.3	0	0	112.9	D45 Y47	D45-Q49 PolarHBondContact O-N 2.73Å; Y47-Q49 VanDerWaalsContact C-N 3.28Å; Y47-Q49 PolarHBondContact O-N 2.95Å
50	L	36.1	Very low	41.2	Very low	101 Å²	101	104.5 Å²	104.5	53%	0.529	57%	0.572	S	S	.	*	H	α-helix	trans	-69.3	-40.7	176.6	-145.2	87.7	0	0	0	111.9	A46 Y47 S53	A46-L50 PolarHBondContact O-N 3.13Å; Y47-L50 PolarHBondContact O-N 3.23Å; Y47-L50 VanDerWaalsContact O-N 3.12Å; L50-S53 PolarHBondContact O-N 3.23Å; L50-S53 PolarHBondContact O-OG 3.24Å
51	I	36.5	Very low	41.9	Very low	70 Å²	70	99.3 Å²	99.3	36%	0.359	55%	0.547	S	S	.	.	H	α-helix	trans	-58.7	-50.2	175.5	-69.2	165.5	0	0	0	110.9	Y47 S53 N54 D55	Y47-I51 HydrophobicContact CD1-CD1 3.39Å; Y47-I51 HydrophobicContact CD1-CG1 4.04Å; Y47-I51 HydrophobicContact CE1-CD1 3.19Å; Y47-I51 HydrophobicContact CE1-CG1 3.73Å; Y47-I51 HydrophobicContact CE2-CG1 4.45Å; Y47-I51 HydrophobicContact CG-CD1 4.27Å; Y47-I51 WeakPolarHBondContact O-CG1 3.39Å; Y47-I51 PolarHBondContact O-N 2.95Å; I51-S53 PolarHBondContact O-N 3.41Å; I51-N54 PolarHBondContact O-N 3.24Å; I51-D55 WeakPolarHBondContact CG2-OD1 3.47Å; I51-D55 PolarHBondContact O-N 3.01Å; I51-D55 VanDerWaalsContact O-OD1 3.07Å
52	I	40.5	Very low	42.6	Very low	128 Å²	128	99.1 Å²	99.1	66%	0.656	54%	0.535	S	S	*	.	H	α-helix	trans	-59.1	-24.2	-178	-65.6	163.4	0	0	0	112.3	K48	K48-I52 WeakPolarHBondContact O-CD1 3.49Å; K48-I52 WeakPolarHBondContact O-CG1 3.43Å; K48-I52 PolarHBondContact O-N 3.4Å
53	S	49.3	Very low	42.6	Very low	84 Å²	84	99.3 Å²	99.3	59%	0.587	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-16.9	-174.4	72.6	0	0	0	0	115.2	L50 I51	L50-S53 PolarHBondContact O-N 3.23Å; L50-S53 PolarHBondContact O-OG 3.24Å; I51-S53 PolarHBondContact O-N 3.41Å
54	N	47.8	Very low	42.7	Very low	98 Å²	98	98.1 Å²	98.1	52%	0.524	51%	0.508	S	S	.	.	S	Bend	trans	-156.4	39.1	-177.5	-130.8	-0.1	0	0	0	115.7	I51 S56 I57	I51-N54 PolarHBondContact O-N 3.24Å; N54-S56 PolarHBondContact O-N 2.96Å; N54-I57 PolarHBondContact O-N 2.82Å
55	D	46.7	Very low	43	Very low	92 Å²	92	95 Å²	95	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-48.2	-42.7	-170.4	-88	-37.4	0	0	0	115.9	I51 I57	I51-D55 WeakPolarHBondContact CG2-OD1 3.47Å; I51-D55 PolarHBondContact O-N 3.01Å; I51-D55 VanDerWaalsContact O-OD1 3.07Å; D55-I57 PolarHBondContact O-N 2.8Å
56	S	48.1	Very low	43.1	Very low	84 Å²	84	93.8 Å²	93.8	59%	0.587	50%	0.495	S	S	*	.	H	α-helix	trans	-75.1	-29.1	-168.4	70.1	0	0	0	0	114.5	N54 H60	N54-S56 PolarHBondContact O-N 2.96Å; S56-H60 PolarHBondContact O-CD2 3.27Å
57	I	47.5	Very low	43.4	Very low	101 Å²	101	96.3 Å²	96.3	52%	0.518	50%	0.497	S	S	.	.	H	α-helix	trans	-82.1	-37.3	-174.7	-61.2	174.8	0	0	0	110.1	N54 D55 A61	N54-I57 PolarHBondContact O-N 2.82Å; D55-I57 PolarHBondContact O-N 2.8Å; I57-A61 WeakPolarHBondContact O-CB 3.4Å; I57-A61 PolarHBondContact O-N 3Å; I57-A61 VanDerWaalsContact O-N 3.14Å
58	H	42.6	Very low	44.4	Very low	71 Å²	71	92.1 Å²	92.1	33%	0.329	49%	0.488	S	S	.	.	H	α-helix	trans	-73.4	-40.2	-175.8	-115.4	-29.2	0	0	0	112.9	A61 L62	H58-A61 PolarHBondContact O-N 2.94Å; H58-L62 VanDerWaalsContact O-CB 3.28Å; H58-L62 WeakPolarHBondContact O-CB 3.32Å; H58-L62 WeakPolarHBondContact O-CD1 3.48Å; H58-L62 WeakPolarHBondContact O-CG 3.4Å; H58-L62 PolarHBondContact O-N 3.1Å
59	E	40.7	Very low	46.4	Very low	140 Å²	140	90.3 Å²	90.3	65%	0.654	49%	0.485	S	S	*	.	H	α-helix	trans	-66.5	-44.3	-179.3	-159.1	172.2	-157.3	0	0	111.4	L62 Q63	E59-L62 PolarHBondContact O-N 3.41Å; E59-Q63 VanDerWaalsContact O-CB 3.24Å; E59-Q63 WeakPolarHBondContact O-CB 3.42Å; E59-Q63 PolarHBondContact O-N 3.03Å
60	H	43	Very low	48.4	Very low	123 Å²	123	84.9 Å²	84.9	57%	0.569	46%	0.461	S	S	*	.	H	α-helix	trans	-63.2	-42.6	174.7	-87.6	-62.5	0	0	0	113	S56 Q63 H64	S56-H60 PolarHBondContact O-CD2 3.27Å; H60-Q63 PolarHBondContact O-N 3.02Å; H60-H64 WeakPolarHBondContact O-CB 3.36Å; H60-H64 PolarHBondContact O-CD2 3.41Å; H60-H64 PolarHBondContact O-N 3.32Å
61	A	46.1	Very low	50.8	Low	16 Å²	16	81.6 Å²	81.6	13%	0.132	45%	0.449	C	S	.	.	H	α-helix	trans	-67	-43.9	178	0	0	0	0	0	112	I57 H58 Q63 H64 L65	I57-A61 WeakPolarHBondContact O-CB 3.4Å; I57-A61 PolarHBondContact O-N 3Å; I57-A61 VanDerWaalsContact O-N 3.14Å; H58-A61 PolarHBondContact O-N 2.94Å; A61-Q63 VanDerWaalsContact C-N 3.31Å; A61-Q63 PolarHBondContact O-N 2.85Å; A61-H64 PolarHBondContact O-N 3.41Å; A61-L65 WeakPolarHBondContact O-CB 3.23Å; A61-L65 WeakPolarHBondContact O-CD1 3.47Å; A61-L65 PolarHBondContact O-N 2.93Å
62	L	45.2	Very low	53.3	Low	76 Å²	76	82 Å²	82	40%	0.398	45%	0.451	S	S	.	.	H	α-helix	trans	-62.5	-39	174.9	-84.4	160.9	0	0	0	111.7	A34 H58 E59 L65 A66	A34-L62 HydrophobicContact CB-CD2 3.6Å; A34-L62 HydrophobicContact CB-CG 4.35Å; H58-L62 VanDerWaalsContact O-CB 3.28Å; H58-L62 WeakPolarHBondContact O-CB 3.32Å; H58-L62 WeakPolarHBondContact O-CD1 3.48Å; H58-L62 WeakPolarHBondContact O-CG 3.4Å; H58-L62 PolarHBondContact O-N 3.1Å; E59-L62 PolarHBondContact O-N 3.41Å; L62-L65 PolarHBondContact O-N 3.31Å; L62-A66 WeakPolarHBondContact O-CB 3.48Å; L62-A66 PolarHBondContact O-N 2.66Å
63	Q	39.5	Very low	55.5	Low	104 Å²	104	77.9 Å²	77.9	49%	0.486	43%	0.432	S	S	.	.	H	α-helix	trans	-67.6	-43.1	177	-170.1	155.1	-7.8	0	0	111.2	E59 H60 A61 A66 E67	E59-Q63 VanDerWaalsContact O-CB 3.24Å; E59-Q63 WeakPolarHBondContact O-CB 3.42Å; E59-Q63 PolarHBondContact O-N 3.03Å; H60-Q63 PolarHBondContact O-N 3.02Å; A61-Q63 VanDerWaalsContact C-N 3.31Å; A61-Q63 PolarHBondContact O-N 2.85Å; Q63-A66 PolarHBondContact O-N 3.47Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.44Å; Q63-E67 PolarHBondContact NE2-OE1 2.92Å; Q63-E67 WeakPolarHBondContact O-CB 3.26Å; Q63-E67 WeakPolarHBondContact O-CG 3.06Å; Q63-E67 PolarHBondContact O-N 3.4Å
64	H	41.8	Very low	57.6	Low	118 Å²	118	74.4 Å²	74.4	55%	0.546	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-36.2	173.8	-72.7	-47.7	0	0	0	113.7	H60 A61 E67 A68	H60-H64 WeakPolarHBondContact O-CB 3.36Å; H60-H64 PolarHBondContact O-CD2 3.41Å; H60-H64 PolarHBondContact O-N 3.32Å; A61-H64 PolarHBondContact O-N 3.41Å; H64-E67 IonicContact ND1-OE2 3.95Å; H64-A68 WeakPolarHBondContact O-CB 3.35Å; H64-A68 PolarHBondContact O-N 3.04Å
65	L	48.3	Very low	59.8	Low	45 Å²	45	70.8 Å²	70.8	24%	0.236	39%	0.391	C	S	.	.	H	α-helix	trans	-72.8	-39.4	175	-95	135.7	0	0	0	112.6	T31 A61 L62 E67 A68 L332	T31-L65 HydrophobicContact CG2-CD2 4Å; A61-L65 WeakPolarHBondContact O-CB 3.23Å; A61-L65 WeakPolarHBondContact O-CD1 3.47Å; A61-L65 PolarHBondContact O-N 2.93Å; L62-L65 PolarHBondContact O-N 3.31Å; L65-E67 VanDerWaalsContact C-N 3.32Å; L65-A68 CarbonylContact O-C 3.51Å; L65-A68 VanDerWaalsContact O-C 3.26Å; L65-A68 PolarHBondContact O-N 2.87Å; L65-L332 HydrophobicContact CD2-CD2 3.6Å
66	A	47.7	Very low	62.1	Low	79 Å²	79	74.3 Å²	74.3	65%	0.653	40%	0.402	S	S	*	.	H	α-helix	trans	-67.3	-34.6	173.1	0	0	0	0	0	111.4	L62 Q63	L62-A66 WeakPolarHBondContact O-CB 3.48Å; L62-A66 PolarHBondContact O-N 2.66Å; Q63-A66 PolarHBondContact O-N 3.47Å
67	E	47	Very low	64.3	Low	114 Å²	114	75.3 Å²	75.3	53%	0.533	40%	0.397	S	S	.	.	H	α-helix	trans	-74.8	-26.5	173.6	-74.1	171.9	-175.3	0	0	112.6	Q63 H64 L65	Q63-E67 WeakPolarHBondContact CG-OE1 3.44Å; Q63-E67 PolarHBondContact NE2-OE1 2.92Å; Q63-E67 WeakPolarHBondContact O-CB 3.26Å; Q63-E67 WeakPolarHBondContact O-CG 3.06Å; Q63-E67 PolarHBondContact O-N 3.4Å; H64-E67 IonicContact ND1-OE2 3.95Å; L65-E67 VanDerWaalsContact C-N 3.32Å
68	A	60.1	Low	66.7	Low	36 Å²	36	70.8 Å²	70.8	30%	0.298	37%	0.374	S	S	.	.			trans	-122.5	75.9	-178.3	0	0	0	0	0	112.5	H64 L65 V73	H64-A68 WeakPolarHBondContact O-CB 3.35Å; H64-A68 PolarHBondContact O-N 3.04Å; L65-A68 CarbonylContact O-C 3.51Å; L65-A68 VanDerWaalsContact O-C 3.26Å; L65-A68 PolarHBondContact O-N 2.87Å; A68-V73 HydrophobicContact CB-CG2 4.09Å
69	T	77.9	Confident	69.4	Low	67 Å²	67	71.4 Å²	71.4	41%	0.411	37%	0.373	S	S	.	.			trans	-55.4	152.4	164.5	68.3	0	0	0	0	110.4	A71 N72 V73	T69-A71 PolarHBondContact O-N 2.99Å; T69-N72 WeakPolarHBondContact O-CA 3.37Å; T69-N72 WeakPolarHBondContact O-CB 3.4Å; T69-N72 PolarHBondContact O-N 2.89Å; T69-N72 WeakPolarHBondContact OG1-CB 3.39Å; T69-N72 PolarHBondContact OG1-N 2.84Å; T69-N72 VanDerWaalsContact OG1-N 3.12Å; T69-N72 PolarHBondContact OG1-ND2 3.19Å; T69-V73 PolarHBondContact O-N 2.87Å
70	L	83.6	Confident	72.1	Confident	35 Å²	35	64.7 Å²	64.7	18%	0.183	34%	0.342	C	S	.	.	H	α-helix	trans	-54.6	-37.8	174.9	177.5	59.6	0	0	0	111.6	N72 V73 L74 D331 L332 Y335	L70-N72 PolarHBondContact O-N 3Å; L70-V73 PolarHBondContact O-N 3.31Å; L70-L74 HydrophobicContact CD1-CD1 4.22Å; L70-L74 HydrophobicContact CD1-CG 4.11Å; L70-L74 HydrophobicContact CG-CD1 4.15Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 3.43Å; L70-D331 HydrophobicContact CD2-CB 4.21Å; L70-L332 HydrophobicContact CB-CD1 4.29Å; L70-Y335 HydrophobicContact CD1-CD1 3.5Å; L70-Y335 VanDerWaalsContact CD1-CD1 3.5Å; L70-Y335 HydrophobicContact CD1-CD2 3.81Å; L70-Y335 HydrophobicContact CD1-CE1 3.88Å; L70-Y335 HydrophobicContact CD1-CE2 4.17Å; L70-Y335 HydrophobicContact CD1-CG 3.45Å; L70-Y335 VanDerWaalsContact CD1-CG 3.45Å; L70-Y335 HydrophobicContact CD2-CG 4.36Å
71	A	87.7	Confident	74.8	Confident	33 Å²	33	58.9 Å²	58.9	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-43.5	173.9	0	0	0	0	0	112.3	T69 L74 A75 E168	T69-A71 PolarHBondContact O-N 2.99Å; A71-L74 PolarHBondContact O-N 3.36Å; A71-A75 VanDerWaalsContact O-CB 3.26Å; A71-A75 WeakPolarHBondContact O-CB 3.33Å; A71-A75 PolarHBondContact O-N 2.81Å; A71-E168 HydrophobicContact CB-CG 3.89Å
72	N	88	Confident	77.3	Confident	77 Å²	77	58.1 Å²	58.1	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-39.7	176.9	-71.7	-13.3	0	0	0	112.3	T69 L70 A75 K76	T69-N72 WeakPolarHBondContact O-CA 3.37Å; T69-N72 WeakPolarHBondContact O-CB 3.4Å; T69-N72 PolarHBondContact O-N 2.89Å; T69-N72 WeakPolarHBondContact OG1-CB 3.39Å; T69-N72 PolarHBondContact OG1-N 2.84Å; T69-N72 VanDerWaalsContact OG1-N 3.12Å; T69-N72 PolarHBondContact OG1-ND2 3.19Å; L70-N72 PolarHBondContact O-N 3Å; N72-A75 PolarHBondContact O-N 2.88Å; N72-K76 WeakPolarHBondContact O-CG 3.5Å; N72-K76 PolarHBondContact O-N 2.95Å
73	V	87.5	Confident	79.8	Confident	42 Å²	42	54.5 Å²	54.5	26%	0.255	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-51.7	175	173.7	0	0	0	0	110	A68 T69 L70 A75 K76 Q77	A68-V73 HydrophobicContact CB-CG2 4.09Å; T69-V73 PolarHBondContact O-N 2.87Å; L70-V73 PolarHBondContact O-N 3.31Å; V73-A75 VanDerWaalsContact C-N 3.3Å; V73-A75 PolarHBondContact O-N 2.04Å; V73-K76 PolarHBondContact O-N 2.75Å; V73-K76 VanDerWaalsContact O-N 3.14Å; V73-Q77 WeakPolarHBondContact O-CG 3.33Å; V73-Q77 PolarHBondContact O-N 2.84Å; V73-Q77 VanDerWaalsContact O-N 3.12Å
74	L	92.5	Very high	82.7	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-34	178.3	-74	178.5	0	0	0	112.3	L70 A71 K76 Q77 V78 R171 H175 Y335	L70-L74 HydrophobicContact CD1-CD1 4.22Å; L70-L74 HydrophobicContact CD1-CG 4.11Å; L70-L74 HydrophobicContact CG-CD1 4.15Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 3.43Å; A71-L74 PolarHBondContact O-N 3.36Å; L74-K76 PolarHBondContact O-N 3.46Å; L74-Q77 PolarHBondContact O-N 3.39Å; L74-V78 WeakPolarHBondContact O-CA 3.05Å; L74-V78 WeakPolarHBondContact O-CB 3.32Å; L74-V78 PolarHBondContact O-N 2.9Å; L74-R171 HydrophobicContact CB-CB 4.13Å; L74-R171 HydrophobicContact CD1-CB 4.42Å; L74-H175 HydrophobicContact CD2-CB 3.9Å; L74-Y335 HydrophobicContact CD2-CE2 3.91Å
75	A	94.8	Very high	85.3	Confident	21 Å²	21	44.3 Å²	44.3	17%	0.174	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-28.4	175.8	0	0	0	0	0	113.6	A71 N72 V73 N107	A71-A75 VanDerWaalsContact O-CB 3.26Å; A71-A75 WeakPolarHBondContact O-CB 3.33Å; A71-A75 PolarHBondContact O-N 2.81Å; N72-A75 PolarHBondContact O-N 2.88Å; V73-A75 VanDerWaalsContact C-N 3.3Å; V73-A75 PolarHBondContact O-N 2.04Å; A75-N107 PolarHBondContact O-ND2 3.23Å
76	K	94.1	Very high	87.7	Confident	167 Å²	167	42.3 Å²	42.3	73%	0.726	23%	0.232	S	C	*	.	H	α-helix	trans	-80.3	-37	173.7	-67.1	173.5	-175.9	176.5	0	112.2	N72 V73 L74	N72-K76 WeakPolarHBondContact O-CG 3.5Å; N72-K76 PolarHBondContact O-N 2.95Å; V73-K76 PolarHBondContact O-N 2.75Å; V73-K76 VanDerWaalsContact O-N 3.14Å; L74-K76 PolarHBondContact O-N 3.46Å
77	Q	94.2	Very high	90	Very high	105 Å²	105	41.5 Å²	41.5	49%	0.491	22%	0.216	S	C	.	.	H	α-helix	trans	-81.5	-34	-177.3	-68.3	176.8	0.4	0	0	113.7	V73 L74 Y335	V73-Q77 WeakPolarHBondContact O-CG 3.33Å; V73-Q77 PolarHBondContact O-N 2.84Å; V73-Q77 VanDerWaalsContact O-N 3.12Å; L74-Q77 PolarHBondContact O-N 3.39Å; Q77-Y335 PolarHBondContact NE2-OH 3.14Å; Q77-Y335 PolarHBondContact OE1-OH 3.43Å
78	V	98.1	Very high	92.3	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.03	20%	0.2	C	C	.	.	S	Bend	trans	-119.8	91.2	-174.4	-177.8	0	0	0	0	108.2	L74 V80 Y155 R171 L174 H175	L74-V78 WeakPolarHBondContact O-CA 3.05Å; L74-V78 WeakPolarHBondContact O-CB 3.32Å; L74-V78 PolarHBondContact O-N 2.9Å; V78-V80 HydrophobicContact CG1-CG2 4.13Å; V78-V80 PolarHBondContact O-N 2.92Å; V78-Y155 HydrophobicContact CG1-CD2 3.71Å; V78-Y155 HydrophobicContact CG1-CE2 3.71Å; V78-R171 HydrophobicContact CB-CB 4.38Å; V78-R171 HydrophobicContact CB-CG 4.06Å; V78-R171 HydrophobicContact CG1-CB 4.35Å; V78-R171 HydrophobicContact CG1-CG 3.97Å; V78-R171 PolarHBondContact O-NE 2.67Å; V78-L174 HydrophobicContact CG1-CB 3.78Å; V78-L174 HydrophobicContact CG1-CD1 4.25Å; V78-H175 HydrophobicContact CG2-CB 3.77Å
79	R	98.7	Very high	94	Very high	84 Å²	84	41 Å²	41	32%	0.317	22%	0.218	S	C	.	.			trans	-83.5	110.3	-175.5	-57.2	171.2	-64.6	165.7	0	110	N107 D152 Y153 D154 Y155	R79-N107 WeakPolarHBondContact CA-OD1 3.3Å; R79-D152 VanDerWaalsContact CZ-O 3.25Å; R79-D152 PolarHBondContact NH1-O 3Å; R79-Y153 HydrophobicContact CB-CD1 4.06Å; R79-D154 VanDerWaalsContact CB-OD2 3.26Å; R79-D154 WeakPolarHBondContact CB-OD2 3.36Å; R79-D154 WeakPolarHBondContact CG-OD2 3.49Å; R79-D154 IonicContact CZ-OD1 3.25Å; R79-D154 IonicContact CZ-OD2 3.65Å; R79-D154 PolarHBondContact N-OD2 2.81Å; R79-D154 IonicContact NE-OD1 3.76Å; R79-D154 IonicContact NE-OD2 2.82Å; R79-D154 PolarHBondContact NE-OD2 3.39Å; R79-D154 IonicContact NH2-OD1 2.95Å; R79-D154 PolarHBondContact NH2-OD1 3.4Å; R79-D154 IonicContact NH2-OD2 3.61Å; R79-D154 PolarHBondContact O-N 2.92Å; R79-Y155 PolarHBondContact O-N 3.41Å
80	V	98.9	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.3	-177.7	-178.1	0	0	0	0	110.5	V78 N107 Y155 M157 L170 R171 L174	V78-V80 HydrophobicContact CG1-CG2 4.13Å; V78-V80 PolarHBondContact O-N 2.92Å; V80-N107 PolarHBondContact N-OD1 3.44Å; V80-N107 WeakPolarHBondContact O-CB 3.23Å; V80-N107 PolarHBondContact O-N 3.1Å; V80-Y155 WeakPolarHBondContact CA-O 3.41Å; V80-M157 HydrophobicContact CG1-CB 4.12Å; V80-L170 HydrophobicContact CG1-CD2 3.91Å; V80-R171 HydrophobicContact CG2-CG 4.24Å; V80-L174 HydrophobicContact CG2-CD1 4.01Å
81	F	98.9	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.8	166.1	-173.9	-73.8	0	0	0	109.6	W83 K108 L110 I145 Y149 Y153 Y155 F156 M157	F81-W83 HydrophobicContact CD1-CB 4.5Å; F81-W83 HydrophobicContact CE1-CB 4.01Å; F81-K108 CarbonylContact C-O 3.58Å; F81-K108 WeakPolarHBondContact CA-O 3.37Å; F81-K108 HydrophobicContact CD2-CB 3.74Å; F81-K108 HydrophobicContact CD2-CG 3.72Å; F81-K108 HydrophobicContact CE2-CB 4.08Å; F81-K108 HydrophobicContact CE2-CG 3.51Å; F81-K108 HydrophobicContact CZ-CG 4.43Å; F81-L110 HydrophobicContact CE1-CB 4.46Å; F81-L110 HydrophobicContact CE2-CG 4.45Å; F81-L110 HydrophobicContact CZ-CB 4.08Å; F81-L110 HydrophobicContact CZ-CD1 3.77Å; F81-L110 HydrophobicContact CZ-CG 3.69Å; F81-I145 HydrophobicContact CD1-CD1 4.35Å; F81-I145 HydrophobicContact CD1-CG2 4.36Å; F81-I145 HydrophobicContact CE1-CD1 3.75Å; F81-I145 HydrophobicContact CE1-CG1 3.97Å; F81-I145 HydrophobicContact CE1-CG2 4.34Å; F81-I145 HydrophobicContact CZ-CD1 4.41Å; F81-I145 HydrophobicContact CZ-CG1 4.14Å; F81-Y149 HydrophobicContact CD2-CD2 4.5Å; F81-Y149 HydrophobicContact CD2-CG 4.12Å; F81-Y149 HydrophobicContact CE2-CD1 4.02Å; F81-Y149 AromaticContact CE2-CD2 3.58Å; F81-Y149 HydrophobicContact CE2-CD2 3.58Å; F81-Y149 HydrophobicContact CE2-CE1 4.39Å; F81-Y149 HydrophobicContact CE2-CE2 4.03Å; F81-Y149 AromaticContact CE2-CG 3.57Å; F81-Y149 HydrophobicContact CE2-CG 3.57Å; F81-Y149 AromaticContact CZ-CD2 3.96Å; F81-Y149 HydrophobicContact CZ-CD2 3.96Å; F81-Y149 HydrophobicContact CZ-CE2 4.28Å; F81-Y149 HydrophobicContact CZ-CG 4.38Å; F81-Y153 HydrophobicContact CB-CD1 4.22Å; F81-Y153 HydrophobicContact CB-CD2 4.05Å; F81-Y153 HydrophobicContact CB-CG 3.82Å; F81-Y153 AromaticContact CD2-CD2 3.76Å; F81-Y153 HydrophobicContact CD2-CD2 3.76Å; F81-Y153 AromaticContact CD2-CE2 3.74Å; F81-Y153 HydrophobicContact CD2-CE2 3.74Å; F81-Y153 HydrophobicContact CD2-CG 4.32Å; F81-Y153 HydrophobicContact CE2-CE2 4.47Å; F81-Y153 HydrophobicContact CG-CD2 4.38Å; F81-Y155 PolarHBondContact N-O 3.37Å; F81-F156 HydrophobicContact CB-CD1 3.54Å; F81-F156 HydrophobicContact CB-CE1 3.84Å; F81-F156 HydrophobicContact CB-CG 4.35Å; F81-F156 HydrophobicContact CD1-CD1 4.07Å; F81-F156 AromaticContact CG-CD1 3.89Å; F81-F156 HydrophobicContact CG-CD1 3.89Å; F81-F156 HydrophobicContact CG-CE1 4.15Å; F81-F156 CarbonylContact O-C 3.47Å; F81-F156 VanDerWaalsContact O-CA 3.26Å; F81-F156 WeakPolarHBondContact O-CA 3.14Å; F81-M157 PolarHBondContact O-N 3.33Å
82	C	98.9	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.4	176.2	-63	0	0	0	0	110.9	W102 C106 K108 Y109 L110 M157	C82-W102 HydrophobicContact CB-CZ3 4.38Å; C82-C106 HydrophobicContact CB-CB 3.76Å; C82-C106 WeakPolarHBondContact CB-SG 3.4Å; C82-C106 WeakPolarHBondContact SG-CB 3.43Å; C82-C106 CovalentContact SG-SG 2.04Å; C82-C106 PolarHBondContact SG-SG 3.09Å; C82-K108 PolarHBondContact N-O 2.94Å; C82-Y109 CarbonylContact O-C 3.57Å; C82-Y109 WeakPolarHBondContact O-CA 3.29Å; C82-Y109 WeakPolarHBondContact O-CB 3.24Å; C82-L110 PolarHBondContact O-N 3.4Å; C82-M157 CarbonylContact C-O 3.52Å; C82-M157 WeakPolarHBondContact CA-O 3.09Å
83	W	98.6	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.7	168.2	78	75.7	0	0	0	109.5	F81 L110 I112 I142 I145 F156 M157 K158 A159 Y204 L206 L211	F81-W83 HydrophobicContact CD1-CB 4.5Å; F81-W83 HydrophobicContact CE1-CB 4.01Å; W83-L110 WeakPolarHBondContact CA-O 3.49Å; W83-I112 HydrophobicContact CB-CD1 4.26Å; W83-I112 HydrophobicContact CB-CG1 4.02Å; W83-I112 HydrophobicContact CG-CG1 4.49Å; W83-I142 HydrophobicContact CZ2-CG1 4.49Å; W83-I145 HydrophobicContact CB-CD1 3.51Å; W83-I145 HydrophobicContact CD2-CD1 3.8Å; W83-I145 HydrophobicContact CE3-CD1 3.57Å; W83-I145 HydrophobicContact CG-CD1 3.8Å; W83-I145 HydrophobicContact CZ3-CD1 4.49Å; W83-F156 HydrophobicContact CE3-CB 3.78Å; W83-F156 HydrophobicContact CH2-CB 4.27Å; W83-F156 HydrophobicContact CZ3-CB 3.25Å; W83-F156 HydrophobicContact CZ3-CG 4.31Å; W83-M157 PolarHBondContact N-O 3.44Å; W83-K158 HydrophobicContact CD2-CB 4.36Å; W83-K158 VanDerWaalsContact CE2-CB 3.47Å; W83-K158 HydrophobicContact CH2-CB 4.42Å; W83-K158 HydrophobicContact CZ2-CB 3.52Å; W83-K158 HydrophobicContact CZ2-CG 4.07Å; W83-K158 WeakPolarHBondContact O-CA 3.32Å; W83-A159 PolarHBondContact O-N 2.93Å; W83-A159 VanDerWaalsContact O-N 3.11Å; W83-Y204 HydrophobicContact CH2-CE2 4.26Å; W83-Y204 AromaticContact CZ2-CE2 3.71Å; W83-Y204 HydrophobicContact CZ2-CE2 3.71Å; W83-L206 HydrophobicContact CH2-CD1 3.77Å; W83-L206 HydrophobicContact CH2-CG 4.2Å; W83-L211 HydrophobicContact CH2-CD1 4.38Å; W83-L211 HydrophobicContact CZ3-CD1 4.02Å
84	I	98.7	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.3	-168.6	-61	152.1	0	0	0	108.3	T86 V98 W102 A103 Y109 L110 F111 I112 A159	I84-T86 PolarHBondContact O-N 3.5Å; I84-V98 HydrophobicContact CD1-CG1 3.76Å; I84-V98 HydrophobicContact CG2-CG1 4.31Å; I84-W102 HydrophobicContact CD1-CH2 3.74Å; I84-W102 HydrophobicContact CD1-CZ2 4.26Å; I84-W102 HydrophobicContact CD1-CZ3 4.28Å; I84-W102 HydrophobicContact CG1-CH2 3.68Å; I84-W102 HydrophobicContact CG1-CZ2 4.26Å; I84-A103 HydrophobicContact CD1-CB 3.99Å; I84-Y109 HydrophobicContact CD1-CD2 4.43Å; I84-L110 PolarHBondContact N-O 2.78Å; I84-F111 HydrophobicContact CB-CD1 3.8Å; I84-F111 HydrophobicContact CB-CE1 3.99Å; I84-F111 HydrophobicContact CD1-CD1 4.47Å; I84-F111 HydrophobicContact CD1-CE1 4.02Å; I84-F111 HydrophobicContact CD1-CZ 4.22Å; I84-F111 HydrophobicContact CG2-CD1 3.71Å; I84-F111 HydrophobicContact CG2-CE1 3.66Å; I84-F111 CarbonylContact O-C 3.46Å; I84-F111 WeakPolarHBondContact O-CA 3.45Å; I84-I112 PolarHBondContact O-N 3.26Å; I84-A159 CarbonylContact C-O 3.2Å; I84-A159 WeakPolarHBondContact CA-O 3.39Å; I84-A159 HydrophobicContact CG1-CB 4.5Å
85	L	97.9	Very high	97.3	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.9	179.3	-56.6	-169.6	0	0	0	110.1	I112 K137 A159 D161	L85-I112 HydrophobicContact CD2-CB 3.73Å; L85-I112 HydrophobicContact CD2-CG1 4.09Å; L85-I112 HydrophobicContact CD2-CG2 4.04Å; L85-K137 HydrophobicContact CB-CD 4.5Å; L85-K137 HydrophobicContact CD2-CD 4Å; L85-K137 HydrophobicContact CD2-CG 4.24Å; L85-A159 PolarHBondContact N-O 2.79Å; L85-D161 PolarHBondContact O-N 3.46Å
86	T	97.1	Very high	97.4	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	22%	0.219	C	C	.	.			trans	-148.2	-179	174	-166.4	0	0	0	0	110.8	I84 A95 F111 I112 K137 D161	I84-T86 PolarHBondContact O-N 3.5Å; T86-A95 HydrophobicContact CG2-CB 4.29Å; T86-F111 HydrophobicContact CG2-CB 3.93Å; T86-F111 HydrophobicContact CG2-CD1 4.06Å; T86-F111 HydrophobicContact CG2-CG 4.41Å; T86-I112 PolarHBondContact N-O 2.85Å; T86-K137 PolarHBondContact O-NZ 3.33Å; T86-D161 WeakPolarHBondContact CA-OD2 3.22Å; T86-D161 WeakPolarHBondContact CB-OD2 3.43Å; T86-D161 PolarHBondContact OG1-OD2 3.36Å
87	M	96.7	Very high	97.6	Very high	63 Å²	63	38 Å²	38	31%	0.31	19%	0.193	S	C	.	.			trans	-139.9	158.8	176.7	61.2	-177.5	73.7	0	0	110.2	T89 N90 H91 S113 E129	M87-T89 WeakPolarHBondContact CG-OG1 3.41Å; M87-T89 PolarHBondContact O-N 3.28Å; M87-T89 VanDerWaalsContact O-N 3.12Å; M87-N90 HydrophobicContact CG-CB 3.89Å; M87-N90 CarbonylContact O-C 3.55Å; M87-N90 WeakPolarHBondContact O-CA 3.17Å; M87-N90 WeakPolarHBondContact O-CB 3.38Å; M87-N90 PolarHBondContact O-N 3.02Å; M87-H91 VanDerWaalsContact C-CD2 3.48Å; M87-H91 PolarHBondContact O-CD2 2.89Å; M87-H91 PolarHBondContact O-N 3.23Å; M87-H91 VanDerWaalsContact O-N 3.14Å; M87-S113 WeakPolarHBondContact CA-OG 3.44Å; M87-E129 HydrophobicContact CB-CG 3.83Å
88	P	96.1	Very high	97.8	Very high	31 Å²	31	33 Å²	33	20%	0.201	17%	0.17	C	C	.	.	H	α-helix	trans	-53.5	-39.1	-173.3	-28.3	37.1	0	0	0	114.2	N90 H91 S113 S114 E115	P88-N90 PolarHBondContact O-N 3.03Å; P88-H91 WeakPolarHBondContact O-CB 3.42Å; P88-H91 PolarHBondContact O-N 3.48Å; P88-S113 WeakPolarHBondContact CD-OG 3.39Å; P88-S114 WeakPolarHBondContact CG-OG 3.35Å; P88-E115 HydrophobicContact CB-CB 4.44Å; P88-E115 HydrophobicContact CB-CG 4.24Å; P88-E115 HydrophobicContact CG-CB 3.84Å; P88-E115 VanDerWaalsContact CG-CD 3.49Å; P88-E115 HydrophobicContact CG-CG 3.57Å
89	T	96.3	Very high	97.8	Very high	109 Å²	109	37 Å²	37	67%	0.669	19%	0.186	S	C	*	.	H	α-helix	trans	-66.1	-23.7	176.3	51.1	0	0	0	0	113.7	M87 S93	M87-T89 WeakPolarHBondContact CG-OG1 3.41Å; M87-T89 PolarHBondContact O-N 3.28Å; M87-T89 VanDerWaalsContact O-N 3.12Å; T89-S93 PolarHBondContact O-OG 3.44Å
90	N	97.2	Very high	97.8	Very high	26 Å²	26	35.9 Å²	35.9	14%	0.139	20%	0.195	C	C	.	.	H	α-helix	trans	-95.8	-8.5	178.8	-72.6	-1.6	0	0	0	113.7	M87 P88 K92 S93 K94 A95 D161	M87-N90 HydrophobicContact CG-CB 3.89Å; M87-N90 CarbonylContact O-C 3.55Å; M87-N90 WeakPolarHBondContact O-CA 3.17Å; M87-N90 WeakPolarHBondContact O-CB 3.38Å; M87-N90 PolarHBondContact O-N 3.02Å; P88-N90 PolarHBondContact O-N 3.03Å; N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 2.61Å; N90-S93 WeakPolarHBondContact CA-OG 3.45Å; N90-S93 PolarHBondContact O-N 3.19Å; N90-K94 HydrophobicContact CB-CB 4.24Å; N90-K94 HydrophobicContact CB-CD 4.33Å; N90-K94 HydrophobicContact CB-CG 4.44Å; N90-K94 WeakPolarHBondContact O-CA 3.32Å; N90-K94 PolarHBondContact O-N 2.99Å; N90-A95 PolarHBondContact O-N 3.23Å; N90-D161 WeakPolarHBondContact CB-OD2 3.4Å; N90-D161 PolarHBondContact ND2-OD1 3.35Å; N90-D161 PolarHBondContact ND2-OD2 3.34Å
91	H	97.4	Very high	97.7	Very high	11 Å²	11	36.3 Å²	36.3	5%	0.051	20%	0.198	C	C	.	.	I	π-helix	trans	-52.4	-53.7	-179.2	-77.7	-171.8	0	0	0	111	M87 P88 A95 V96 S113 L120	M87-H91 VanDerWaalsContact C-CD2 3.48Å; M87-H91 PolarHBondContact O-CD2 2.89Å; M87-H91 PolarHBondContact O-N 3.23Å; M87-H91 VanDerWaalsContact O-N 3.14Å; P88-H91 WeakPolarHBondContact O-CB 3.42Å; P88-H91 PolarHBondContact O-N 3.48Å; H91-A95 WeakPolarHBondContact O-CB 3.14Å; H91-A95 PolarHBondContact O-N 3.17Å; H91-V96 WeakPolarHBondContact O-CG1 3.4Å; H91-V96 PolarHBondContact O-N 2.88Å; H91-S113 PolarHBondContact NE2-OG 3.02Å; H91-L120 HydrophobicContact CB-CD1 3.52Å; H91-L120 VanDerWaalsContact O-CD1 3.3Å; H91-L120 WeakPolarHBondContact O-CD1 3.37Å
92	K	96.2	Very high	97.7	Very high	159 Å²	159	36.3 Å²	36.3	69%	0.691	20%	0.198	S	C	*	.	I	π-helix	trans	-82	-27.2	-179.5	-68.8	-177.3	-179.7	177.2	0	114.8	N90 V96	N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 2.61Å; K92-V96 WeakPolarHBondContact O-CG2 3.15Å
93	S	97.7	Very high	97.7	Very high	57 Å²	57	36.3 Å²	36.3	40%	0.399	20%	0.198	S	C	.	.	I	π-helix	trans	-94.4	-16.9	-173.1	57.7	0	0	0	0	113.5	T89 N90 H97 P307	T89-S93 PolarHBondContact O-OG 3.44Å; N90-S93 WeakPolarHBondContact CA-OG 3.45Å; N90-S93 PolarHBondContact O-N 3.19Å; S93-H97 PolarHBondContact O-CD2 3.31Å; S93-P307 WeakPolarHBondContact O-CG 3.41Å
94	K	98.3	Very high	97.6	Very high	49 Å²	49	39 Å²	39	21%	0.213	23%	0.226	C	C	.	.	I	π-helix	trans	-138.2	-55.9	-177.7	-66.4	-168.9	179.4	-171.4	0	113.3	N90 V96 H97 V98 D161 D162	N90-K94 HydrophobicContact CB-CB 4.24Å; N90-K94 HydrophobicContact CB-CD 4.33Å; N90-K94 HydrophobicContact CB-CG 4.44Å; N90-K94 WeakPolarHBondContact O-CA 3.32Å; N90-K94 PolarHBondContact O-N 2.99Å; K94-V96 VanDerWaalsContact C-N 3.31Å; K94-V96 PolarHBondContact O-N 2.76Å; K94-H97 WeakPolarHBondContact O-CB 3.47Å; K94-H97 PolarHBondContact O-N 2.9Å; K94-V98 PolarHBondContact O-N 2.89Å; K94-D161 HydrophobicContact CB-CB 3.99Å; K94-D161 WeakPolarHBondContact CB-O 3.22Å; K94-D161 HydrophobicContact CD-CB 4.32Å; K94-D161 WeakPolarHBondContact CD-OD1 3.46Å; K94-D161 IonicContact NZ-OD1 3.37Å; K94-D161 PolarHBondContact NZ-OD1 2.9Å; K94-D162 HydrophobicContact CD-CB 4.36Å; K94-D162 IonicContact NZ-OD2 3.61Å; K94-D162 PolarHBondContact NZ-OD2 3.3Å
95	A	98.2	Very high	97.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-61.9	-35.4	-171.6	0	0	0	0	0	113.5	T86 N90 H91 H97 V98 K99 F111 L120	T86-A95 HydrophobicContact CG2-CB 4.29Å; N90-A95 PolarHBondContact O-N 3.23Å; H91-A95 WeakPolarHBondContact O-CB 3.14Å; H91-A95 PolarHBondContact O-N 3.17Å; A95-H97 PolarHBondContact O-N 2.89Å; A95-V98 PolarHBondContact O-N 3.15Å; A95-K99 PolarHBondContact O-N 3.22Å; A95-F111 HydrophobicContact CB-CD1 3.81Å; A95-F111 HydrophobicContact CB-CE1 3.62Å; A95-F111 HydrophobicContact CB-CZ 4.18Å; A95-F111 VanDerWaalsContact O-CZ 3.26Å; A95-F111 WeakPolarHBondContact O-CZ 3.41Å; A95-L120 HydrophobicContact CB-CD1 4.4Å; A95-L120 HydrophobicContact CB-CD2 4.28Å
96	V	97.8	Very high	97.5	Very high	49 Å²	49	41.2 Å²	41.2	30%	0.297	24%	0.235	S	C	.	.	H	α-helix	trans	-58	-33.3	172.2	-69.8	0	0	0	0	113.2	H91 K92 K94 K99 A100 L120	H91-V96 WeakPolarHBondContact O-CG1 3.4Å; H91-V96 PolarHBondContact O-N 2.88Å; K92-V96 WeakPolarHBondContact O-CG2 3.15Å; K94-V96 VanDerWaalsContact C-N 3.31Å; K94-V96 PolarHBondContact O-N 2.76Å; V96-K99 PolarHBondContact O-N 3.25Å; V96-A100 VanDerWaalsContact O-CB 3.3Å; V96-A100 WeakPolarHBondContact O-CB 3.24Å; V96-A100 PolarHBondContact O-N 2.97Å; V96-L120 HydrophobicContact CB-CD2 4.36Å; V96-L120 HydrophobicContact CG1-CD1 3.96Å; V96-L120 HydrophobicContact CG1-CD2 3.77Å; V96-L120 HydrophobicContact CG1-CG 4.16Å
97	H	98.4	Very high	97.6	Very high	40 Å²	40	44.1 Å²	44.1	19%	0.185	25%	0.25	C	C	.	.	H	α-helix	trans	-78.9	-36.4	-178.6	-55.8	-65	0	0	0	111.2	S93 K94 A95 K99 A100 T101 P307 M310 Y311	S93-H97 PolarHBondContact O-CD2 3.31Å; K94-H97 WeakPolarHBondContact O-CB 3.47Å; K94-H97 PolarHBondContact O-N 2.9Å; A95-H97 PolarHBondContact O-N 2.89Å; H97-K99 VanDerWaalsContact C-N 3.33Å; H97-A100 PolarHBondContact O-N 3Å; H97-T101 WeakPolarHBondContact O-CB 3.17Å; H97-T101 WeakPolarHBondContact O-CG2 3.18Å; H97-T101 PolarHBondContact O-N 3.07Å; H97-T101 VanDerWaalsContact O-N 3.11Å; H97-T101 PolarHBondContact O-OG1 2.87Å; H97-P307 HydrophobicContact CB-CB 4.26Å; H97-P307 VanDerWaalsContact CD2-CB 3.41Å; H97-P307 WeakPolarHBondContact CD2-CB 3.49Å; H97-M310 HydrophobicContact CB-SD 3.85Å; H97-Y311 HydrophobicContact CB-CE2 4.27Å; H97-Y311 AromaticContact ND1-CE2 3.33Å; H97-Y311 VanDerWaalsContact ND1-CE2 3.33Å; H97-Y311 WeakPolarHBondContact ND1-CE2 3.29Å; H97-Y311 AromaticContact ND1-CZ 3.52Å; H97-Y311 PolarHBondContact ND1-OH 2.95Å
98	V	98.6	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-46.2	167.8	171.1	0	0	0	0	110.8	I84 K94 A95 A100 T101 W102 A103 F111 D161 M310	I84-V98 HydrophobicContact CD1-CG1 3.76Å; I84-V98 HydrophobicContact CG2-CG1 4.31Å; K94-V98 PolarHBondContact O-N 2.89Å; A95-V98 PolarHBondContact O-N 3.15Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-A100 PolarHBondContact O-N 2.88Å; V98-T101 PolarHBondContact O-N 3.01Å; V98-W102 HydrophobicContact CG1-CD2 4.28Å; V98-W102 VanDerWaalsContact CG1-CE2 3.5Å; V98-W102 HydrophobicContact CG1-CH2 4.17Å; V98-W102 HydrophobicContact CG1-CZ2 3.44Å; V98-W102 VanDerWaalsContact CG1-CZ2 3.44Å; V98-W102 HydrophobicContact CG2-CZ2 4.49Å; V98-W102 PolarHBondContact O-N 2.97Å; V98-A103 HydrophobicContact CG1-CB 3.84Å; V98-A103 VanDerWaalsContact O-CB 3.32Å; V98-A103 WeakPolarHBondContact O-CB 3.44Å; V98-A103 PolarHBondContact O-N 3.12Å; V98-A103 VanDerWaalsContact O-N 3.13Å; V98-F111 HydrophobicContact CB-CE1 4.11Å; V98-F111 HydrophobicContact CB-CZ 4.17Å; V98-F111 HydrophobicContact CG1-CE1 3.94Å; V98-F111 HydrophobicContact CG1-CZ 3.98Å; V98-D161 WeakPolarHBondContact CG2-O 3.22Å; V98-M310 HydrophobicContact CG2-CE 3.61Å; V98-M310 HydrophobicContact CG2-SD 3.84Å
99	K	97.9	Very high	97.8	Very high	87 Å²	87	45.6 Å²	45.6	38%	0.378	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-40.1	175.1	178.5	178.7	177.9	-169.8	0	112.4	A95 V96 H97 T101 F111 R119 L120	A95-K99 PolarHBondContact O-N 3.22Å; V96-K99 PolarHBondContact O-N 3.25Å; H97-K99 VanDerWaalsContact C-N 3.33Å; K99-T101 VanDerWaalsContact C-N 3.29Å; K99-T101 PolarHBondContact O-N 2.89Å; K99-F111 HydrophobicContact CB-CE2 4.18Å; K99-F111 HydrophobicContact CB-CZ 4.11Å; K99-R119 PolarHBondContact NZ-O 3.23Å; K99-L120 HydrophobicContact CB-CD2 4.34Å; K99-L120 HydrophobicContact CD-CD2 4.09Å
100	A	97.3	Very high	97.9	Very high	61 Å²	61	40.8 Å²	40.8	50%	0.504	22%	0.221	S	C	.	.	H	α-helix	trans	-78.6	-8.3	-177	0	0	0	0	0	114.3	V96 H97 V98 Y311	V96-A100 VanDerWaalsContact O-CB 3.3Å; V96-A100 WeakPolarHBondContact O-CB 3.24Å; V96-A100 PolarHBondContact O-N 2.97Å; H97-A100 PolarHBondContact O-N 3Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-A100 PolarHBondContact O-N 2.88Å; A100-Y311 HydrophobicContact CB-CE1 4.3Å
101	T	97.9	Very high	97.9	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-98.3	-176.5	56.4	0	0	0	0	110.9	H97 V98 K99 R105 M310 Y311 E314	H97-T101 WeakPolarHBondContact O-CB 3.17Å; H97-T101 WeakPolarHBondContact O-CG2 3.18Å; H97-T101 PolarHBondContact O-N 3.07Å; H97-T101 VanDerWaalsContact O-N 3.11Å; H97-T101 PolarHBondContact O-OG1 2.87Å; V98-T101 PolarHBondContact O-N 3.01Å; K99-T101 VanDerWaalsContact C-N 3.29Å; K99-T101 PolarHBondContact O-N 2.89Å; T101-R105 PolarHBondContact O-NH1 2.79Å; T101-M310 HydrophobicContact CG2-CB 4.13Å; T101-Y311 HydrophobicContact CG2-CD1 3.95Å; T101-Y311 HydrophobicContact CG2-CE1 4.04Å; T101-Y311 HydrophobicContact CG2-CG 4.48Å; T101-E314 HydrophobicContact CG2-CB 4.26Å; T101-E314 HydrophobicContact CG2-CG 4.48Å
102	W	98.3	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-26.5	-165.1	66.9	-97.4	0	0	0	115	C82 I84 V98 G104 R105 A159 S163 Y164 V165 V167	C82-W102 HydrophobicContact CB-CZ3 4.38Å; I84-W102 HydrophobicContact CD1-CH2 3.74Å; I84-W102 HydrophobicContact CD1-CZ2 4.26Å; I84-W102 HydrophobicContact CD1-CZ3 4.28Å; I84-W102 HydrophobicContact CG1-CH2 3.68Å; I84-W102 HydrophobicContact CG1-CZ2 4.26Å; V98-W102 HydrophobicContact CG1-CD2 4.28Å; V98-W102 VanDerWaalsContact CG1-CE2 3.5Å; V98-W102 HydrophobicContact CG1-CH2 4.17Å; V98-W102 HydrophobicContact CG1-CZ2 3.44Å; V98-W102 VanDerWaalsContact CG1-CZ2 3.44Å; V98-W102 HydrophobicContact CG2-CZ2 4.49Å; V98-W102 PolarHBondContact O-N 2.97Å; W102-G104 PolarHBondContact O-N 3.26Å; W102-G104 VanDerWaalsContact O-N 3.15Å; W102-R105 WeakPolarHBondContact O-CB 3.32Å; W102-R105 PolarHBondContact O-N 3.38Å; W102-A159 HydrophobicContact CH2-CB 3.63Å; W102-A159 HydrophobicContact CZ2-CB 3.95Å; W102-S163 PolarHBondContact NE1-O 3.24Å; W102-Y164 HydrophobicContact CB-CD2 4.39Å; W102-Y164 HydrophobicContact CB-CE1 4.32Å; W102-Y164 HydrophobicContact CB-CE2 4.07Å; W102-Y164 AromaticContact CD1-CD2 3.59Å; W102-Y164 AromaticContact CD1-CE2 3.99Å; W102-Y164 AromaticContact CD1-CG 3.96Å; W102-Y164 HydrophobicContact CG-CD2 4.3Å; W102-Y164 HydrophobicContact CG-CE2 4.42Å; W102-Y164 HydrophobicContact CG-CG 4.5Å; W102-V165 WeakPolarHBondContact CB-O 3.29Å; W102-V165 HydrophobicContact CD2-CB 4.06Å; W102-V165 HydrophobicContact CD2-CG2 4.38Å; W102-V165 HydrophobicContact CE3-CB 3.71Å; W102-V165 HydrophobicContact CE3-CG2 4.15Å; W102-V165 HydrophobicContact CH2-CB 4.31Å; W102-V165 HydrophobicContact CH2-CG2 3.83Å; W102-V165 HydrophobicContact CZ2-CG2 4.07Å; W102-V165 HydrophobicContact CZ3-CB 3.86Å; W102-V165 HydrophobicContact CZ3-CG2 3.88Å; W102-V167 HydrophobicContact CE3-CG2 4.43Å
103	A	98.2	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61.7	-31.1	-172.4	0	0	0	0	0	113.2	I84 V98 R105 C106 Y109	I84-A103 HydrophobicContact CD1-CB 3.99Å; V98-A103 HydrophobicContact CG1-CB 3.84Å; V98-A103 VanDerWaalsContact O-CB 3.32Å; V98-A103 WeakPolarHBondContact O-CB 3.44Å; V98-A103 PolarHBondContact O-N 3.12Å; V98-A103 VanDerWaalsContact O-N 3.13Å; A103-R105 PolarHBondContact O-N 3.14Å; A103-R105 VanDerWaalsContact O-N 3.16Å; A103-C106 WeakPolarHBondContact O-CB 3.46Å; A103-C106 PolarHBondContact O-N 2.94Å; A103-C106 VanDerWaalsContact O-N 3.12Å; A103-Y109 HydrophobicContact CB-CD1 4.09Å; A103-Y109 HydrophobicContact CB-CD2 4.03Å; A103-Y109 HydrophobicContact CB-CE1 4.33Å; A103-Y109 HydrophobicContact CB-CE2 4.27Å; A103-Y109 HydrophobicContact CB-CG 3.94Å; A103-Y109 WeakPolarHBondContact O-CD1 3.5Å
104	G	96.8	Very high	97.9	Very high	56 Å²	56	29.7 Å²	29.7	58%	0.577	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-63.9	-14.6	177.2	0	0	0	0	0	114.7	W102	W102-G104 PolarHBondContact O-N 3.26Å; W102-G104 VanDerWaalsContact O-N 3.15Å
105	R	97.5	Very high	97.8	Very high	46 Å²	46	32.8 Å²	32.8	17%	0.174	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-82.6	-17.3	175.7	-65	170.4	169.8	90.2	4.1	113.2	T101 W102 A103 V167 E168 R171 E314 Y318	T101-R105 PolarHBondContact O-NH1 2.79Å; W102-R105 WeakPolarHBondContact O-CB 3.32Å; W102-R105 PolarHBondContact O-N 3.38Å; A103-R105 PolarHBondContact O-N 3.14Å; A103-R105 VanDerWaalsContact O-N 3.16Å; R105-V167 HydrophobicContact CB-CB 3.85Å; R105-V167 HydrophobicContact CB-CG2 3.78Å; R105-E168 WeakPolarHBondContact CD-OE1 3.39Å; R105-E168 WeakPolarHBondContact CD-OE2 3.31Å; R105-E168 IonicContact NE-OE1 3.55Å; R105-E168 PolarHBondContact NE-OE1 3.45Å; R105-E168 IonicContact NE-OE2 3.5Å; R105-R171 PolarHBondContact O-NH1 2.83Å; R105-R171 VanDerWaalsContact O-NH1 3.17Å; R105-R171 PolarHBondContact O-NH2 3.17Å; R105-E314 IonicContact CZ-OE1 3.77Å; R105-E314 VanDerWaalsContact CZ-OE1 3.32Å; R105-E314 IonicContact CZ-OE2 2.62Å; R105-E314 VanDerWaalsContact NH1-CD 3.34Å; R105-E314 IonicContact NH1-OE1 3.62Å; R105-E314 PolarHBondContact NH1-OE1 3.32Å; R105-E314 IonicContact NH1-OE2 3.55Å; R105-E314 PolarHBondContact NH1-OE2 3.38Å; R105-E314 IonicContact NH2-OE1 3.77Å; R105-E314 PolarHBondContact NH2-OE1 3Å; R105-E314 IonicContact NH2-OE2 3.11Å; R105-Y318 PolarHBondContact NE-OH 3.49Å; R105-Y318 VanDerWaalsContact NH2-CD1 3.26Å; R105-Y318 VanDerWaalsContact NH2-CZ 3.35Å
106	C	98.6	Very high	97.6	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.061	21%	0.209	C	C	.	.	S	Bend	trans	-70.3	148.1	169.5	-52.3	0	0	0	0	109.5	C82 A103 K108	C82-C106 HydrophobicContact CB-CB 3.76Å; C82-C106 WeakPolarHBondContact CB-SG 3.4Å; C82-C106 WeakPolarHBondContact SG-CB 3.43Å; C82-C106 CovalentContact SG-SG 2.04Å; C82-C106 PolarHBondContact SG-SG 3.09Å; A103-C106 WeakPolarHBondContact O-CB 3.46Å; A103-C106 PolarHBondContact O-N 2.94Å; A103-C106 VanDerWaalsContact O-N 3.12Å; C106-K108 WeakPolarHBondContact CB-O 3.23Å; C106-K108 PolarHBondContact O-N 3.07Å
107	N	98.5	Very high	97.3	Very high	63 Å²	63	36.2 Å²	36.2	34%	0.337	20%	0.202	S	C	.	.	S	Bend	trans	-64	-31.4	176.7	-64.3	77.9	0	0	0	111.3	A75 R79 V80 Y153 R171	A75-N107 PolarHBondContact O-ND2 3.23Å; R79-N107 WeakPolarHBondContact CA-OD1 3.3Å; V80-N107 PolarHBondContact N-OD1 3.44Å; V80-N107 WeakPolarHBondContact O-CB 3.23Å; V80-N107 PolarHBondContact O-N 3.1Å; N107-Y153 HydrophobicContact CB-CD1 3.95Å; N107-Y153 HydrophobicContact CB-CE1 3.72Å; N107-R171 PolarHBondContact OD1-NH2 3.26Å
108	K	98.4	Very high	96.8	Very high	78 Å²	78	42.9 Å²	42.9	34%	0.339	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.1	169.8	-175.2	69.3	173.9	-173.8	0	108.8	F81 C82 C106 Y153	F81-K108 CarbonylContact C-O 3.58Å; F81-K108 WeakPolarHBondContact CA-O 3.37Å; F81-K108 HydrophobicContact CD2-CB 3.74Å; F81-K108 HydrophobicContact CD2-CG 3.72Å; F81-K108 HydrophobicContact CE2-CB 4.08Å; F81-K108 HydrophobicContact CE2-CG 3.51Å; F81-K108 HydrophobicContact CZ-CG 4.43Å; C82-K108 PolarHBondContact N-O 2.94Å; C106-K108 WeakPolarHBondContact CB-O 3.23Å; C106-K108 PolarHBondContact O-N 3.07Å; K108-Y153 HydrophobicContact CB-CE1 3.56Å; K108-Y153 HydrophobicContact CB-CE2 4.12Å; K108-Y153 VanDerWaalsContact CB-OH 3.22Å; K108-Y153 WeakPolarHBondContact CB-OH 3.39Å; K108-Y153 HydrophobicContact CG-CE2 4.47Å
109	Y	98.4	Very high	96.4	Very high	48 Å²	48	50.8 Å²	50.8	19%	0.188	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.2	169.4	63.9	-87.2	0	0	0	111.4	C82 I84 A103 F111 P121	C82-Y109 CarbonylContact O-C 3.57Å; C82-Y109 WeakPolarHBondContact O-CA 3.29Å; C82-Y109 WeakPolarHBondContact O-CB 3.24Å; I84-Y109 HydrophobicContact CD1-CD2 4.43Å; A103-Y109 HydrophobicContact CB-CD1 4.09Å; A103-Y109 HydrophobicContact CB-CD2 4.03Å; A103-Y109 HydrophobicContact CB-CE1 4.33Å; A103-Y109 HydrophobicContact CB-CE2 4.27Å; A103-Y109 HydrophobicContact CB-CG 3.94Å; A103-Y109 WeakPolarHBondContact O-CD1 3.5Å; Y109-F111 HydrophobicContact CD2-CD2 4.37Å; Y109-F111 AromaticContact CD2-CE2 3.94Å; Y109-F111 HydrophobicContact CD2-CE2 3.94Å; Y109-F111 HydrophobicContact CE2-CD2 4.41Å; Y109-F111 AromaticContact CE2-CE2 3.76Å; Y109-F111 HydrophobicContact CE2-CE2 3.76Å; Y109-P121 HydrophobicContact CD2-CG 4.35Å; Y109-P121 HydrophobicContact CE2-CG 3.78Å
110	L	98.2	Very high	96.1	Very high	8 Å²	8	47 Å²	47	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.8	169.7	-70.1	-177.1	0	0	0	110	F81 C82 W83 I84 I112 P121 I123 Y144 Y149	F81-L110 HydrophobicContact CE1-CB 4.46Å; F81-L110 HydrophobicContact CE2-CG 4.45Å; F81-L110 HydrophobicContact CZ-CB 4.08Å; F81-L110 HydrophobicContact CZ-CD1 3.77Å; F81-L110 HydrophobicContact CZ-CG 3.69Å; C82-L110 PolarHBondContact O-N 3.4Å; W83-L110 WeakPolarHBondContact CA-O 3.49Å; I84-L110 PolarHBondContact N-O 2.78Å; L110-I112 HydrophobicContact CB-CD1 4.35Å; L110-P121 HydrophobicContact CD2-CB 4.22Å; L110-P121 WeakPolarHBondContact CD2-O 3.22Å; L110-I123 HydrophobicContact CD1-CD1 4.04Å; L110-I123 HydrophobicContact CD1-CG2 4.43Å; L110-Y144 HydrophobicContact CD1-CD1 4.38Å; L110-Y144 HydrophobicContact CD1-CE1 3.86Å; L110-Y149 HydrophobicContact CD1-CD2 4.5Å; L110-Y149 HydrophobicContact CD1-CE2 3.7Å
111	F	98.4	Very high	95.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.2	167.9	-68.6	-83.4	0	0	0	109.6	I84 T86 A95 V98 K99 Y109 L120 P121 S122 I123	I84-F111 HydrophobicContact CB-CD1 3.8Å; I84-F111 HydrophobicContact CB-CE1 3.99Å; I84-F111 HydrophobicContact CD1-CD1 4.47Å; I84-F111 HydrophobicContact CD1-CE1 4.02Å; I84-F111 HydrophobicContact CD1-CZ 4.22Å; I84-F111 HydrophobicContact CG2-CD1 3.71Å; I84-F111 HydrophobicContact CG2-CE1 3.66Å; I84-F111 CarbonylContact O-C 3.46Å; I84-F111 WeakPolarHBondContact O-CA 3.45Å; T86-F111 HydrophobicContact CG2-CB 3.93Å; T86-F111 HydrophobicContact CG2-CD1 4.06Å; T86-F111 HydrophobicContact CG2-CG 4.41Å; A95-F111 HydrophobicContact CB-CD1 3.81Å; A95-F111 HydrophobicContact CB-CE1 3.62Å; A95-F111 HydrophobicContact CB-CZ 4.18Å; A95-F111 VanDerWaalsContact O-CZ 3.26Å; A95-F111 WeakPolarHBondContact O-CZ 3.41Å; V98-F111 HydrophobicContact CB-CE1 4.11Å; V98-F111 HydrophobicContact CB-CZ 4.17Å; V98-F111 HydrophobicContact CG1-CE1 3.94Å; V98-F111 HydrophobicContact CG1-CZ 3.98Å; K99-F111 HydrophobicContact CB-CE2 4.18Å; K99-F111 HydrophobicContact CB-CZ 4.11Å; Y109-F111 HydrophobicContact CD2-CD2 4.37Å; Y109-F111 AromaticContact CD2-CE2 3.94Å; Y109-F111 HydrophobicContact CD2-CE2 3.94Å; Y109-F111 HydrophobicContact CE2-CD2 4.41Å; Y109-F111 AromaticContact CE2-CE2 3.76Å; Y109-F111 HydrophobicContact CE2-CE2 3.76Å; F111-L120 HydrophobicContact CD2-CB 4.49Å; F111-L120 WeakPolarHBondContact CD2-O 3.46Å; F111-L120 HydrophobicContact CE2-CD2 4.22Å; F111-P121 PolarHBondContact N-O 3.05Å; F111-P121 VanDerWaalsContact N-O 3.17Å; F111-S122 CarbonylContact O-C 3.57Å; F111-S122 WeakPolarHBondContact O-CA 3.05Å; F111-I123 PolarHBondContact O-N 2.84Å
112	I	98	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.4	-178.8	-49.7	-56.9	0	0	0	108.3	W83 I84 L85 T86 L110 I123 V125 K137 A141	W83-I112 HydrophobicContact CB-CD1 4.26Å; W83-I112 HydrophobicContact CB-CG1 4.02Å; W83-I112 HydrophobicContact CG-CG1 4.49Å; I84-I112 PolarHBondContact O-N 3.26Å; L85-I112 HydrophobicContact CD2-CB 3.73Å; L85-I112 HydrophobicContact CD2-CG1 4.09Å; L85-I112 HydrophobicContact CD2-CG2 4.04Å; T86-I112 PolarHBondContact N-O 2.85Å; L110-I112 HydrophobicContact CB-CD1 4.35Å; I112-I123 HydrophobicContact CD1-CD1 3.72Å; I112-I123 HydrophobicContact CD1-CG1 3.72Å; I112-V125 HydrophobicContact CG2-CB 4.46Å; I112-V125 HydrophobicContact CG2-CG1 4.27Å; I112-V125 HydrophobicContact CG2-CG2 3.35Å; I112-K137 HydrophobicContact CG2-CD 4.02Å; I112-K137 HydrophobicContact CG2-CG 3.49Å; I112-K137 VanDerWaalsContact CG2-CG 3.49Å; I112-A141 HydrophobicContact CB-CB 4.43Å; I112-A141 HydrophobicContact CD1-CB 3.85Å; I112-A141 HydrophobicContact CG1-CB 3.8Å; I112-A141 HydrophobicContact CG2-CB 3.83Å
113	S	97.1	Very high	95.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-174.5	-173	-164.5	0	0	0	0	111.5	M87 P88 H91 I123 A124 V125 E129	M87-S113 WeakPolarHBondContact CA-OG 3.44Å; P88-S113 WeakPolarHBondContact CD-OG 3.39Å; H91-S113 PolarHBondContact NE2-OG 3.02Å; S113-I123 PolarHBondContact N-O 2.8Å; S113-A124 VanDerWaalsContact O-CA 3.32Å; S113-A124 WeakPolarHBondContact O-CA 3.45Å; S113-V125 PolarHBondContact O-N 2.58Å; S113-V125 VanDerWaalsContact O-N 3.15Å; S113-E129 PolarHBondContact OG-OE1 2.85Å
114	S	95.9	Very high	95.5	Very high	20 Å²	20	49.1 Å²	49.1	14%	0.14	26%	0.258	C	S	.	.	S	Bend	trans	-92	-8.4	165.4	68.6	0	0	0	0	114.4	P88 A124 I126 E129	P88-S114 WeakPolarHBondContact CG-OG 3.35Å; S114-A124 WeakPolarHBondContact O-CB 3.42Å; S114-I126 WeakPolarHBondContact CA-O 3.37Å; S114-I126 WeakPolarHBondContact CB-O 3.19Å; S114-E129 WeakPolarHBondContact CB-OE1 3.26Å; S114-E129 PolarHBondContact N-OE1 2.87Å; S114-E129 VanDerWaalsContact OG-CG 3.32Å; S114-E129 WeakPolarHBondContact OG-CG 3.49Å; S114-E129 PolarHBondContact OG-OE1 2.9Å
115	E	95.2	Very high	95.3	Very high	113 Å²	113	48.1 Å²	48.1	53%	0.528	24%	0.241	S	C	.	.	S	Bend	trans	-129	142.4	176.8	-65.8	179.2	-164.4	0	0	111.2	P88 S122	P88-E115 HydrophobicContact CB-CB 4.44Å; P88-E115 HydrophobicContact CB-CG 4.24Å; P88-E115 HydrophobicContact CG-CB 3.84Å; P88-E115 VanDerWaalsContact CG-CD 3.49Å; P88-E115 HydrophobicContact CG-CG 3.57Å; E115-S122 PolarHBondContact O-OG 3.3Å
116	T	94.7	Very high	95.1	Very high	95 Å²	95	47.1 Å²	47.1	58%	0.583	24%	0.239	S	C	*	.			trans	-87.2	124.7	174.4	-61.1	0	0	0	0	109.2	S122 A124	T116-S122 WeakPolarHBondContact CA-O 3.45Å; T116-S122 WeakPolarHBondContact CG2-O 3.42Å; T116-A124 PolarHBondContact OG1-N 2.89Å
117	D	91.9	Very high	94.7	Very high	26 Å²	26	54 Å²	54	14%	0.139	28%	0.275	C	S	.	.			trans	-131.4	108.6	172.4	-173.1	-23.3	0	0	0	107.8	R119 L120 S122	D117-R119 PolarHBondContact O-N 3.36Å; D117-R119 VanDerWaalsContact OD1-CB 3.23Å; D117-R119 WeakPolarHBondContact OD1-CB 3.07Å; D117-R119 IonicContact OD1-CZ 2.82Å; D117-R119 PolarHBondContact OD1-N 2.88Å; D117-R119 IonicContact OD1-NE 3.65Å; D117-R119 PolarHBondContact OD1-NE 2.82Å; D117-R119 VanDerWaalsContact OD1-NE 3.15Å; D117-R119 IonicContact OD1-NH2 3.87Å; D117-R119 IonicContact OD2-CZ 3.65Å; D117-R119 IonicContact OD2-NE 2.8Å; D117-R119 IonicContact OD2-NH2 3.64Å; D117-R119 PolarHBondContact OD2-NH2 2.89Å; D117-L120 HydrophobicContact CB-CB 4.36Å; D117-L120 CarbonylContact O-C 3.53Å; D117-L120 PolarHBondContact O-N 3.3Å; D117-S122 PolarHBondContact N-OG 2.88Å; D117-S122 PolarHBondContact O-N 3.04Å
118	E	87.1	Confident	94.4	Very high	181 Å²	181	55.4 Å²	55.4	85%	0.846	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23	-178.9	-64.6	-176	171.6	0	0	112.9	L120	E118-L120 PolarHBondContact O-N 3.36Å
119	R	89.6	Confident	94.1	Very high	166 Å²	166	54 Å²	54	63%	0.626	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.3	175.4	-55.4	171.5	-63.2	-170.9	-0.2	111.5	K99 D117	K99-R119 PolarHBondContact NZ-O 3.23Å; D117-R119 PolarHBondContact O-N 3.36Å; D117-R119 VanDerWaalsContact OD1-CB 3.23Å; D117-R119 WeakPolarHBondContact OD1-CB 3.07Å; D117-R119 IonicContact OD1-CZ 2.82Å; D117-R119 PolarHBondContact OD1-N 2.88Å; D117-R119 IonicContact OD1-NE 3.65Å; D117-R119 PolarHBondContact OD1-NE 2.82Å; D117-R119 VanDerWaalsContact OD1-NE 3.15Å; D117-R119 IonicContact OD1-NH2 3.87Å; D117-R119 IonicContact OD2-CZ 3.65Å; D117-R119 IonicContact OD2-NE 2.8Å; D117-R119 IonicContact OD2-NH2 3.64Å; D117-R119 PolarHBondContact OD2-NH2 2.89Å
120	L	91.7	Very high	93.6	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	56.3	-178.8	-82.4	170.7	0	0	0	110.5	H91 A95 V96 K99 F111 D117 E118 S122	H91-L120 HydrophobicContact CB-CD1 3.52Å; H91-L120 VanDerWaalsContact O-CD1 3.3Å; H91-L120 WeakPolarHBondContact O-CD1 3.37Å; A95-L120 HydrophobicContact CB-CD1 4.4Å; A95-L120 HydrophobicContact CB-CD2 4.28Å; V96-L120 HydrophobicContact CB-CD2 4.36Å; V96-L120 HydrophobicContact CG1-CD1 3.96Å; V96-L120 HydrophobicContact CG1-CD2 3.77Å; V96-L120 HydrophobicContact CG1-CG 4.16Å; K99-L120 HydrophobicContact CB-CD2 4.34Å; K99-L120 HydrophobicContact CD-CD2 4.09Å; F111-L120 HydrophobicContact CD2-CB 4.49Å; F111-L120 WeakPolarHBondContact CD2-O 3.46Å; F111-L120 HydrophobicContact CE2-CD2 4.22Å; D117-L120 HydrophobicContact CB-CB 4.36Å; D117-L120 CarbonylContact O-C 3.53Å; D117-L120 PolarHBondContact O-N 3.3Å; E118-L120 PolarHBondContact O-N 3.36Å; L120-S122 WeakPolarHBondContact O-CA 3.33Å; L120-S122 WeakPolarHBondContact O-CB 3.41Å; L120-S122 PolarHBondContact O-N 3.32Å
121	P	93.6	Very high	92.9	Very high	43 Å²	43	62.7 Å²	62.7	28%	0.279	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-25.1	74.8	-152.9	24.2	-38.5	0	0	0	113.9	Y109 L110 F111	Y109-P121 HydrophobicContact CD2-CG 4.35Å; Y109-P121 HydrophobicContact CE2-CG 3.78Å; L110-P121 HydrophobicContact CD2-CB 4.22Å; L110-P121 WeakPolarHBondContact CD2-O 3.22Å; F111-P121 PolarHBondContact N-O 3.05Å; F111-P121 VanDerWaalsContact N-O 3.17Å
122	S	95.1	Very high	92.4	Very high	4 Å²	4	68.5 Å²	68.5	3%	0.028	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144.5	-167.7	73.9	0	0	0	0	108.7	F111 E115 T116 D117 L120	F111-S122 CarbonylContact O-C 3.57Å; F111-S122 WeakPolarHBondContact O-CA 3.05Å; E115-S122 PolarHBondContact O-OG 3.3Å; T116-S122 WeakPolarHBondContact CA-O 3.45Å; T116-S122 WeakPolarHBondContact CG2-O 3.42Å; D117-S122 PolarHBondContact N-OG 2.88Å; D117-S122 PolarHBondContact O-N 3.04Å; L120-S122 WeakPolarHBondContact O-CA 3.33Å; L120-S122 WeakPolarHBondContact O-CB 3.41Å; L120-S122 PolarHBondContact O-N 3.32Å
123	I	95.1	Very high	92.2	Very high	22 Å²	22	70.7 Å²	70.7	11%	0.113	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.2	178	58.7	168.4	0	0	0	109.7	L110 F111 I112 S113 V125 Y144	L110-I123 HydrophobicContact CD1-CD1 4.04Å; L110-I123 HydrophobicContact CD1-CG2 4.43Å; F111-I123 PolarHBondContact O-N 2.84Å; I112-I123 HydrophobicContact CD1-CD1 3.72Å; I112-I123 HydrophobicContact CD1-CG1 3.72Å; S113-I123 PolarHBondContact N-O 2.8Å; I123-V125 HydrophobicContact CD1-CG1 3.77Å; I123-V125 HydrophobicContact CG1-CG1 4.01Å; I123-V125 PolarHBondContact O-N 2.84Å; I123-Y144 HydrophobicContact CD1-CD1 3.23Å; I123-Y144 HydrophobicContact CD1-CD2 4.21Å; I123-Y144 HydrophobicContact CD1-CE1 3.41Å; I123-Y144 VanDerWaalsContact CD1-CE1 3.41Å; I123-Y144 HydrophobicContact CD1-CE2 4.39Å; I123-Y144 HydrophobicContact CD1-CG 3.66Å; I123-Y144 HydrophobicContact CG2-CE1 4.37Å
124	A	95.3	Very high	92	Very high	48 Å²	48	73.1 Å²	73.1	40%	0.397	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	106.6	171.1	0	0	0	0	0	109.6	S113 S114 T116	S113-A124 VanDerWaalsContact O-CA 3.32Å; S113-A124 WeakPolarHBondContact O-CA 3.45Å; S114-A124 WeakPolarHBondContact O-CB 3.42Å; T116-A124 PolarHBondContact OG1-N 2.89Å
125	V	93.6	Very high	92	Very high	35 Å²	35	73 Å²	73	21%	0.212	37%	0.371	C	S	.	.	S	Bend	trans	-103.9	-7.4	175.3	-59.2	0	0	0	0	112.9	I112 S113 I123 K137	I112-V125 HydrophobicContact CG2-CB 4.46Å; I112-V125 HydrophobicContact CG2-CG1 4.27Å; I112-V125 HydrophobicContact CG2-CG2 3.35Å; S113-V125 PolarHBondContact O-N 2.58Å; S113-V125 VanDerWaalsContact O-N 3.15Å; I123-V125 HydrophobicContact CD1-CG1 3.77Å; I123-V125 HydrophobicContact CG1-CG1 4.01Å; I123-V125 PolarHBondContact O-N 2.84Å; V125-K137 HydrophobicContact CG2-CG 3.95Å; V125-K137 WeakPolarHBondContact CG2-O 3.49Å
126	I	92.2	Very high	92.1	Very high	24 Å²	24	71.6 Å²	71.6	12%	0.123	37%	0.368	C	S	.	.			trans	-144.1	163.9	177.6	49.6	153.5	0	0	0	108.9	S114 T128 N136 K137	S114-I126 WeakPolarHBondContact CA-O 3.37Å; S114-I126 WeakPolarHBondContact CB-O 3.19Å; I126-T128 VanDerWaalsContact CD1-O 3.24Å; I126-T128 WeakPolarHBondContact CD1-O 3.42Å; I126-N136 HydrophobicContact CG2-CB 4.16Å; I126-K137 HydrophobicContact CD1-CB 3.97Å; I126-K137 HydrophobicContact CD1-CG 4.25Å; I126-K137 HydrophobicContact CG1-CB 4.29Å; I126-K137 HydrophobicContact CG1-CG 4.32Å; I126-K137 HydrophobicContact CG2-CB 4.47Å
127	N	91.6	Very high	92.2	Very high	155 Å²	155	67.3 Å²	67.3	83%	0.829	34%	0.341	S	S	*	.	S	Bend	trans	-104.2	-6.2	-177.5	-60.3	-12.8	0	0	0	113.6
128	T	91.1	Very high	92.5	Very high	92 Å²	92	66 Å²	66	56%	0.564	33%	0.334	S	S	*	.	S	Bend	trans	-151.9	133.2	-174.7	-53.1	0	0	0	0	111	I126 L133	I126-T128 VanDerWaalsContact CD1-O 3.24Å; I126-T128 WeakPolarHBondContact CD1-O 3.42Å; T128-L133 HydrophobicContact CG2-CD1 4.48Å; T128-L133 VanDerWaalsContact O-CD1 3.23Å; T128-L133 WeakPolarHBondContact O-CD1 3.44Å
129	E	91.9	Very high	93	Very high	47 Å²	47	58 Å²	58	22%	0.22	30%	0.299	C	S	.	.			trans	-84.2	151.2	-179	-65.1	-67.6	179.8	0	0	112.8	M87 S113 S114 K137	M87-E129 HydrophobicContact CB-CG 3.83Å; S113-E129 PolarHBondContact OG-OE1 2.85Å; S114-E129 WeakPolarHBondContact CB-OE1 3.26Å; S114-E129 PolarHBondContact N-OE1 2.87Å; S114-E129 VanDerWaalsContact OG-CG 3.32Å; S114-E129 WeakPolarHBondContact OG-CG 3.49Å; S114-E129 PolarHBondContact OG-OE1 2.9Å; E129-K137 VanDerWaalsContact CD-NZ 3.26Å; E129-K137 IonicContact OE1-NZ 3.81Å; E129-K137 PolarHBondContact OE1-NZ 2.79Å; E129-K137 VanDerWaalsContact OE1-NZ 3.11Å; E129-K137 WeakPolarHBondContact OE2-CE 3.33Å; E129-K137 IonicContact OE2-NZ 2.89Å; E129-K137 PolarHBondContact OE2-NZ 3.49Å
130	G	87.7	Confident	93.3	Very high	23 Å²	23	51 Å²	51	24%	0.237	28%	0.278	C	S	.	.			trans	168.7	147.1	176	0	0	0	0	0	112.8	N132 L133 L134	G130-N132 PolarHBondContact O-N 3.41Å; G130-L133 WeakPolarHBondContact O-CA 3.47Å; G130-L133 PolarHBondContact O-N 3.28Å; G130-L134 PolarHBondContact O-N 3.02Å
131	R	84.7	Confident	93.7	Very high	217 Å²	217	50.7 Å²	50.7	82%	0.819	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-60.9	-35.2	179.9	-170.4	176.1	-179.4	90.3	2.1	112.3	L133 L134	R131-L133 PolarHBondContact O-N 3.5Å; R131-L134 HydrophobicContact CG-CD1 4.11Å; R131-L134 WeakPolarHBondContact O-CD1 3.43Å; R131-L134 VanDerWaalsContact O-CG 3.31Å; R131-L134 WeakPolarHBondContact O-CG 3.14Å
132	N	88.1	Confident	93.9	Very high	121 Å²	121	48.7 Å²	48.7	65%	0.647	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-74.1	-7.9	174.6	62.8	-47.2	0	0	0	113.9	G130	G130-N132 PolarHBondContact O-N 3.41Å
133	L	92.3	Very high	94.1	Very high	46 Å²	46	52.4 Å²	52.4	24%	0.241	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-107.5	3	179.8	-60.3	178	0	0	0	112.8	T128 G130 R131 W135 N136 K137	T128-L133 HydrophobicContact CG2-CD1 4.48Å; T128-L133 VanDerWaalsContact O-CD1 3.23Å; T128-L133 WeakPolarHBondContact O-CD1 3.44Å; G130-L133 WeakPolarHBondContact O-CA 3.47Å; G130-L133 PolarHBondContact O-N 3.28Å; R131-L133 PolarHBondContact O-N 3.5Å; L133-W135 VanDerWaalsContact C-N 3.27Å; L133-W135 PolarHBondContact O-N 2.99Å; L133-N136 WeakPolarHBondContact O-CB 3.09Å; L133-N136 PolarHBondContact O-N 3.11Å; L133-K137 PolarHBondContact O-N 3.41Å
134	L	94.3	Very high	94.2	Very high	52 Å²	52	55 Å²	55	27%	0.272	29%	0.288	S	S	.	.	H	α-helix	trans	-57	-39.9	179.8	-69.7	174.9	0	0	0	112.2	G130 R131 N136 K137 T138 E233	G130-L134 PolarHBondContact O-N 3.02Å; R131-L134 HydrophobicContact CG-CD1 4.11Å; R131-L134 WeakPolarHBondContact O-CD1 3.43Å; R131-L134 VanDerWaalsContact O-CG 3.31Å; R131-L134 WeakPolarHBondContact O-CG 3.14Å; L134-N136 PolarHBondContact O-N 2.89Å; L134-K137 WeakPolarHBondContact O-CB 3.25Å; L134-K137 PolarHBondContact O-N 2.89Å; L134-T138 PolarHBondContact O-N 2.96Å; L134-T138 PolarHBondContact O-OG1 2.69Å; L134-E233 HydrophobicContact CB-CB 3.84Å; L134-E233 HydrophobicContact CB-CG 4.28Å
135	W	96.4	Very high	94.4	Very high	17 Å²	17	52.7 Å²	52.7	6%	0.064	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-44.4	174.2	170.4	-116.2	0	0	0	112.5	L133 K137 T138 A139 L218 K236 L237 C240	L133-W135 VanDerWaalsContact C-N 3.27Å; L133-W135 PolarHBondContact O-N 2.99Å; W135-K137 PolarHBondContact O-N 3.29Å; W135-T138 HydrophobicContact CZ3-CG2 4.38Å; W135-T138 PolarHBondContact O-N 2.89Å; W135-A139 HydrophobicContact CD2-CB 4.44Å; W135-A139 HydrophobicContact CZ2-CB 4.17Å; W135-A139 VanDerWaalsContact O-CB 3.32Å; W135-A139 WeakPolarHBondContact O-CB 3.46Å; W135-A139 PolarHBondContact O-N 3.42Å; W135-L218 HydrophobicContact CH2-CD2 3.68Å; W135-L218 HydrophobicContact CZ2-CD2 3.35Å; W135-K236 HydrophobicContact CB-CG 4.39Å; W135-K236 HydrophobicContact CD2-CB 3.87Å; W135-K236 HydrophobicContact CD2-CD 4.42Å; W135-K236 HydrophobicContact CD2-CG 3.16Å; W135-K236 HydrophobicContact CE3-CB 3.87Å; W135-K236 HydrophobicContact CE3-CG 3.56Å; W135-K236 HydrophobicContact CG-CB 4.14Å; W135-K236 HydrophobicContact CG-CG 3.54Å; W135-K236 HydrophobicContact CH2-CG 4.01Å; W135-K236 HydrophobicContact CZ2-CD 4.33Å; W135-K236 HydrophobicContact CZ2-CG 3.66Å; W135-K236 HydrophobicContact CZ3-CB 4.39Å; W135-K236 HydrophobicContact CZ3-CG 3.97Å; W135-L237 HydrophobicContact CH2-CD1 4.48Å; W135-L237 HydrophobicContact CZ3-CB 3.96Å; W135-L237 HydrophobicContact CZ3-CD1 4.06Å; W135-C240 HydrophobicContact CH2-CB 4.35Å
136	N	95.7	Very high	94.6	Very high	84 Å²	84	51.9 Å²	51.9	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-39.1	179.5	-66.8	17.6	0	0	0	110.6	I126 L133 L134 G140	I126-N136 HydrophobicContact CG2-CB 4.16Å; L133-N136 WeakPolarHBondContact O-CB 3.09Å; L133-N136 PolarHBondContact O-N 3.11Å; L134-N136 PolarHBondContact O-N 2.89Å; N136-G140 PolarHBondContact O-N 3.38Å
137	K	97	Very high	94.9	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-50.2	173.8	-173.4	-174.2	-69.3	-175.1	0	111.6	L85 T86 I112 V125 I126 E129 L133 L134 W135 A139 G140 A141	L85-K137 HydrophobicContact CB-CD 4.5Å; L85-K137 HydrophobicContact CD2-CD 4Å; L85-K137 HydrophobicContact CD2-CG 4.24Å; T86-K137 PolarHBondContact O-NZ 3.33Å; I112-K137 HydrophobicContact CG2-CD 4.02Å; I112-K137 HydrophobicContact CG2-CG 3.49Å; I112-K137 VanDerWaalsContact CG2-CG 3.49Å; V125-K137 HydrophobicContact CG2-CG 3.95Å; V125-K137 WeakPolarHBondContact CG2-O 3.49Å; I126-K137 HydrophobicContact CD1-CB 3.97Å; I126-K137 HydrophobicContact CD1-CG 4.25Å; I126-K137 HydrophobicContact CG1-CB 4.29Å; I126-K137 HydrophobicContact CG1-CG 4.32Å; I126-K137 HydrophobicContact CG2-CB 4.47Å; E129-K137 VanDerWaalsContact CD-NZ 3.26Å; E129-K137 IonicContact OE1-NZ 3.81Å; E129-K137 PolarHBondContact OE1-NZ 2.79Å; E129-K137 VanDerWaalsContact OE1-NZ 3.11Å; E129-K137 WeakPolarHBondContact OE2-CE 3.33Å; E129-K137 IonicContact OE2-NZ 2.89Å; E129-K137 PolarHBondContact OE2-NZ 3.49Å; L133-K137 PolarHBondContact O-N 3.41Å; L134-K137 WeakPolarHBondContact O-CB 3.25Å; L134-K137 PolarHBondContact O-N 2.89Å; W135-K137 PolarHBondContact O-N 3.29Å; K137-A139 PolarHBondContact O-N 2.92Å; K137-G140 PolarHBondContact O-N 3.3Å; K137-A141 PolarHBondContact O-N 2.7Å
138	T	97.9	Very high	95.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-46.5	176.3	-66.8	0	0	0	0	111.7	L134 W135 G140 A141 I142 E233	L134-T138 PolarHBondContact O-N 2.96Å; L134-T138 PolarHBondContact O-OG1 2.69Å; W135-T138 HydrophobicContact CZ3-CG2 4.38Å; W135-T138 PolarHBondContact O-N 2.89Å; T138-G140 VanDerWaalsContact C-N 3.3Å; T138-G140 PolarHBondContact O-N 2.62Å; T138-A141 WeakPolarHBondContact O-CB 3.11Å; T138-A141 PolarHBondContact O-N 3.11Å; T138-A141 VanDerWaalsContact O-N 3.14Å; T138-I142 HydrophobicContact CG2-CD1 3.71Å; T138-I142 HydrophobicContact CG2-CG1 4.2Å; T138-I142 WeakPolarHBondContact O-CG1 3.26Å; T138-I142 PolarHBondContact O-N 3Å; T138-E233 WeakPolarHBondContact CB-OE1 3.38Å; T138-E233 HydrophobicContact CG2-CG 4.46Å; T138-E233 WeakPolarHBondContact CG2-OE1 3.31Å; T138-E233 WeakPolarHBondContact OG1-CG 3.39Å; T138-E233 PolarHBondContact OG1-OE1 3.29Å
139	A	97.7	Very high	95.6	Very high	12 Å²	12	53.1 Å²	53.1	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-40.6	179.5	0	0	0	0	0	111.6	W135 K137 K143 L218	W135-A139 HydrophobicContact CD2-CB 4.44Å; W135-A139 HydrophobicContact CZ2-CB 4.17Å; W135-A139 VanDerWaalsContact O-CB 3.32Å; W135-A139 WeakPolarHBondContact O-CB 3.46Å; W135-A139 PolarHBondContact O-N 3.42Å; K137-A139 PolarHBondContact O-N 2.92Å; A139-K143 WeakPolarHBondContact O-CG 3.22Å; A139-K143 PolarHBondContact O-N 3.03Å; A139-L218 HydrophobicContact CB-CD1 3.99Å; A139-L218 HydrophobicContact CB-CD2 3.99Å
140	G	97.6	Very high	95.8	Very high	19 Å²	19	51 Å²	51	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-44.1	172.6	0	0	0	0	0	112.5	N136 K137 T138 K143 Y144	N136-G140 PolarHBondContact O-N 3.38Å; K137-G140 PolarHBondContact O-N 3.3Å; T138-G140 VanDerWaalsContact C-N 3.3Å; T138-G140 PolarHBondContact O-N 2.62Å; G140-K143 PolarHBondContact O-N 3.45Å; G140-Y144 WeakPolarHBondContact O-CB 3.35Å; G140-Y144 PolarHBondContact O-N 3.12Å
141	A	98.4	Very high	96.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-49.3	175.1	0	0	0	0	0	112.1	I112 K137 T138 K143 Y144 I145	I112-A141 HydrophobicContact CB-CB 4.43Å; I112-A141 HydrophobicContact CD1-CB 3.85Å; I112-A141 HydrophobicContact CG1-CB 3.8Å; I112-A141 HydrophobicContact CG2-CB 3.83Å; K137-A141 PolarHBondContact O-N 2.7Å; T138-A141 WeakPolarHBondContact O-CB 3.11Å; T138-A141 PolarHBondContact O-N 3.11Å; T138-A141 VanDerWaalsContact O-N 3.14Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 2.79Å; A141-Y144 PolarHBondContact O-N 3.14Å; A141-I145 HydrophobicContact CB-CD1 4.35Å; A141-I145 WeakPolarHBondContact O-CB 3.35Å; A141-I145 WeakPolarHBondContact O-CD1 3.48Å; A141-I145 WeakPolarHBondContact O-CG1 3.18Å; A141-I145 PolarHBondContact O-N 2.98Å
142	I	98.7	Very high	96.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.4	-46.3	179.4	-71.8	173.4	0	0	0	110.6	W83 T138 Y144 I145 A146 L206 L211 I214 A215 L218 L237	W83-I142 HydrophobicContact CZ2-CG1 4.49Å; T138-I142 HydrophobicContact CG2-CD1 3.71Å; T138-I142 HydrophobicContact CG2-CG1 4.2Å; T138-I142 WeakPolarHBondContact O-CG1 3.26Å; T138-I142 PolarHBondContact O-N 3Å; I142-Y144 PolarHBondContact O-N 3.27Å; I142-I145 PolarHBondContact O-N 3.43Å; I142-A146 WeakPolarHBondContact O-CB 3.3Å; I142-A146 PolarHBondContact O-N 2.94Å; I142-L206 HydrophobicContact CD1-CD1 4.46Å; I142-L211 HydrophobicContact CB-CD1 4.3Å; I142-L211 HydrophobicContact CG1-CD1 4.12Å; I142-L211 HydrophobicContact CG2-CD1 3.87Å; I142-I214 HydrophobicContact CD1-CG2 3.94Å; I142-I214 HydrophobicContact CG2-CG2 4.16Å; I142-A215 HydrophobicContact CG2-CB 3.93Å; I142-L218 HydrophobicContact CB-CD1 4.21Å; I142-L218 HydrophobicContact CG2-CD1 3.96Å; I142-L237 HydrophobicContact CD1-CD1 3.63Å
143	K	98.4	Very high	97.4	Very high	83 Å²	83	45.7 Å²	45.7	36%	0.361	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-45.5	176.9	-74	-178	178.2	-165.7	0	112.3	A139 G140 A141 K147 L218	A139-K143 WeakPolarHBondContact O-CG 3.22Å; A139-K143 PolarHBondContact O-N 3.03Å; G140-K143 PolarHBondContact O-N 3.45Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 2.79Å; K143-K147 WeakPolarHBondContact O-CB 3.36Å; K143-K147 PolarHBondContact O-N 3.19Å; K143-K147 VanDerWaalsContact O-N 3.11Å; K143-L218 HydrophobicContact CG-CD1 3.98Å
144	Y	98.3	Very high	97.8	Very high	75 Å²	75	44.1 Å²	44.1	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-49	179.2	-175.7	-90.8	0	0	0	111.4	L110 I123 G140 A141 I142 K147 H148 Y149	L110-Y144 HydrophobicContact CD1-CD1 4.38Å; L110-Y144 HydrophobicContact CD1-CE1 3.86Å; I123-Y144 HydrophobicContact CD1-CD1 3.23Å; I123-Y144 HydrophobicContact CD1-CD2 4.21Å; I123-Y144 HydrophobicContact CD1-CE1 3.41Å; I123-Y144 VanDerWaalsContact CD1-CE1 3.41Å; I123-Y144 HydrophobicContact CD1-CE2 4.39Å; I123-Y144 HydrophobicContact CD1-CG 3.66Å; I123-Y144 HydrophobicContact CG2-CE1 4.37Å; G140-Y144 WeakPolarHBondContact O-CB 3.35Å; G140-Y144 PolarHBondContact O-N 3.12Å; A141-Y144 PolarHBondContact O-N 3.14Å; I142-Y144 PolarHBondContact O-N 3.27Å; Y144-K147 PolarHBondContact O-N 3.29Å; Y144-H148 AromaticContact CD2-CD2 3.57Å; Y144-H148 AromaticContact CD2-NE2 3.94Å; Y144-H148 AromaticContact CE2-CD2 3.5Å; Y144-H148 AromaticContact CE2-NE2 3.73Å; Y144-H148 AromaticContact CG-CD2 3.87Å; Y144-H148 AromaticContact CZ-CD2 3.76Å; Y144-H148 WeakPolarHBondContact O-CB 3.42Å; Y144-H148 PolarHBondContact O-CD2 3.29Å; Y144-H148 PolarHBondContact O-N 3.47Å; Y144-Y149 HydrophobicContact CD1-CE2 4.42Å; Y144-Y149 AromaticContact CE1-CE2 3.83Å; Y144-Y149 HydrophobicContact CE1-CE2 3.83Å
145	I	98.6	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-42.7	-178.7	-63.8	164.7	0	0	0	110.7	F81 W83 A141 I142 K147 H148 Y149 A150 F156 L211	F81-I145 HydrophobicContact CD1-CD1 4.35Å; F81-I145 HydrophobicContact CD1-CG2 4.36Å; F81-I145 HydrophobicContact CE1-CD1 3.75Å; F81-I145 HydrophobicContact CE1-CG1 3.97Å; F81-I145 HydrophobicContact CE1-CG2 4.34Å; F81-I145 HydrophobicContact CZ-CD1 4.41Å; F81-I145 HydrophobicContact CZ-CG1 4.14Å; W83-I145 HydrophobicContact CB-CD1 3.51Å; W83-I145 HydrophobicContact CD2-CD1 3.8Å; W83-I145 HydrophobicContact CE3-CD1 3.57Å; W83-I145 HydrophobicContact CG-CD1 3.8Å; W83-I145 HydrophobicContact CZ3-CD1 4.49Å; A141-I145 HydrophobicContact CB-CD1 4.35Å; A141-I145 WeakPolarHBondContact O-CB 3.35Å; A141-I145 WeakPolarHBondContact O-CD1 3.48Å; A141-I145 WeakPolarHBondContact O-CG1 3.18Å; A141-I145 PolarHBondContact O-N 2.98Å; I142-I145 PolarHBondContact O-N 3.43Å; I145-K147 PolarHBondContact O-N 3.11Å; I145-H148 PolarHBondContact O-N 3.44Å; I145-Y149 CarbonylContact O-C 3.56Å; I145-Y149 WeakPolarHBondContact O-CA 3.42Å; I145-Y149 PolarHBondContact O-N 2.87Å; I145-A150 PolarHBondContact O-N 2.87Å; I145-A150 VanDerWaalsContact O-N 3.08Å; I145-F156 HydrophobicContact CG2-CD1 3.36Å; I145-F156 HydrophobicContact CG2-CE1 3.42Å; I145-F156 VanDerWaalsContact CG2-CE1 3.42Å; I145-F156 HydrophobicContact CG2-CG 4.46Å; I145-L211 HydrophobicContact CB-CD2 4.46Å; I145-L211 HydrophobicContact CG2-CD2 3.77Å
146	A	98.5	Very high	98.1	Very high	18 Å²	18	41.1 Å²	41.1	15%	0.149	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-40.4	176.3	0	0	0	0	0	111.8	I142 A150 L211 L212 A215	I142-A146 WeakPolarHBondContact O-CB 3.3Å; I142-A146 PolarHBondContact O-N 2.94Å; A146-A150 VanDerWaalsContact O-CB 3.22Å; A146-A150 WeakPolarHBondContact O-CB 3.38Å; A146-L211 HydrophobicContact CB-CD2 4.37Å; A146-L211 HydrophobicContact CB-CG 4.44Å; A146-L212 HydrophobicContact CB-CD2 4.44Å; A146-A215 HydrophobicContact CB-CB 3.46Å; A146-A215 VanDerWaalsContact CB-CB 3.46Å
147	K	98.2	Very high	98.2	Very high	167 Å²	167	37.1 Å²	37.1	73%	0.726	18%	0.182	S	C	*	.	H	α-helix	trans	-72.5	-37.2	179.2	-178.3	176.3	177.4	-178.2	0	113.6	K143 Y144 I145	K143-K147 WeakPolarHBondContact O-CB 3.36Å; K143-K147 PolarHBondContact O-N 3.19Å; K143-K147 VanDerWaalsContact O-N 3.11Å; Y144-K147 PolarHBondContact O-N 3.29Å; I145-K147 PolarHBondContact O-N 3.11Å
148	H	98.2	Very high	98.3	Very high	87 Å²	87	37.1 Å²	37.1	40%	0.403	18%	0.181	S	C	.	.	H	α-helix	trans	-108.6	-22.2	-166.4	-68.7	-69.6	0	0	0	115	Y144 I145	Y144-H148 AromaticContact CD2-CD2 3.57Å; Y144-H148 AromaticContact CD2-NE2 3.94Å; Y144-H148 AromaticContact CE2-CD2 3.5Å; Y144-H148 AromaticContact CE2-NE2 3.73Å; Y144-H148 AromaticContact CG-CD2 3.87Å; Y144-H148 AromaticContact CZ-CD2 3.76Å; Y144-H148 WeakPolarHBondContact O-CB 3.42Å; Y144-H148 PolarHBondContact O-CD2 3.29Å; Y144-H148 PolarHBondContact O-N 3.47Å; I145-H148 PolarHBondContact O-N 3.44Å
149	Y	98.3	Very high	98.4	Very high	44 Å²	44	37.1 Å²	37.1	17%	0.173	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-7.2	-169.3	-60.8	-69.1	0	0	0	114.5	F81 L110 Y144 I145 N151 D152 Y153	F81-Y149 HydrophobicContact CD2-CD2 4.5Å; F81-Y149 HydrophobicContact CD2-CG 4.12Å; F81-Y149 HydrophobicContact CE2-CD1 4.02Å; F81-Y149 AromaticContact CE2-CD2 3.58Å; F81-Y149 HydrophobicContact CE2-CD2 3.58Å; F81-Y149 HydrophobicContact CE2-CE1 4.39Å; F81-Y149 HydrophobicContact CE2-CE2 4.03Å; F81-Y149 AromaticContact CE2-CG 3.57Å; F81-Y149 HydrophobicContact CE2-CG 3.57Å; F81-Y149 AromaticContact CZ-CD2 3.96Å; F81-Y149 HydrophobicContact CZ-CD2 3.96Å; F81-Y149 HydrophobicContact CZ-CE2 4.28Å; F81-Y149 HydrophobicContact CZ-CG 4.38Å; L110-Y149 HydrophobicContact CD1-CD2 4.5Å; L110-Y149 HydrophobicContact CD1-CE2 3.7Å; Y144-Y149 HydrophobicContact CD1-CE2 4.42Å; Y144-Y149 AromaticContact CE1-CE2 3.83Å; Y144-Y149 HydrophobicContact CE1-CE2 3.83Å; I145-Y149 CarbonylContact O-C 3.56Å; I145-Y149 WeakPolarHBondContact O-CA 3.42Å; I145-Y149 PolarHBondContact O-N 2.87Å; Y149-N151 PolarHBondContact O-N 3Å; Y149-N151 VanDerWaalsContact O-N 3.11Å; Y149-D152 PolarHBondContact O-N 3.23Å; Y149-Y153 AromaticContact CD1-CE2 3.9Å; Y149-Y153 HydrophobicContact CD1-CE2 3.9Å; Y149-Y153 HydrophobicContact CG-CE2 4.34Å; Y149-Y153 WeakPolarHBondContact O-CD2 3.46Å
150	A	97.5	Very high	98.4	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.7	-176.2	0	0	0	0	0	113.8	I145 A146 R208 L211 L212	I145-A150 PolarHBondContact O-N 2.87Å; I145-A150 VanDerWaalsContact O-N 3.08Å; A146-A150 VanDerWaalsContact O-CB 3.22Å; A146-A150 WeakPolarHBondContact O-CB 3.38Å; A150-R208 WeakPolarHBondContact O-CD 3.31Å; A150-R208 WeakPolarHBondContact O-CG 3.33Å; A150-L211 HydrophobicContact CB-CD2 4.47Å; A150-L212 HydrophobicContact CB-CD2 3.69Å; A150-L212 HydrophobicContact CB-CG 4.2Å
151	N	97.5	Very high	98.4	Very high	132 Å²	132	37.4 Å²	37.4	71%	0.706	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-15.4	-175.5	-62.8	-26.8	0	0	0	113.4	Y149	Y149-N151 PolarHBondContact O-N 3Å; Y149-N151 VanDerWaalsContact O-N 3.11Å
152	D	98.3	Very high	98.4	Very high	82 Å²	82	38.8 Å²	38.8	44%	0.439	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-14.7	-173.6	-62	-28.3	0	0	0	112.9	R79 Y149	R79-D152 VanDerWaalsContact CZ-O 3.25Å; R79-D152 PolarHBondContact NH1-O 3Å; Y149-D152 PolarHBondContact O-N 3.23Å
153	Y	98.8	Very high	98.4	Very high	35 Å²	35	39 Å²	39	14%	0.137	19%	0.186	C	C	.	.			trans	-135.4	160.9	-175.5	-53.6	-86.4	0	0	0	111.5	R79 F81 N107 K108 Y149 F156 R208	R79-Y153 HydrophobicContact CB-CD1 4.06Å; F81-Y153 HydrophobicContact CB-CD1 4.22Å; F81-Y153 HydrophobicContact CB-CD2 4.05Å; F81-Y153 HydrophobicContact CB-CG 3.82Å; F81-Y153 AromaticContact CD2-CD2 3.76Å; F81-Y153 HydrophobicContact CD2-CD2 3.76Å; F81-Y153 AromaticContact CD2-CE2 3.74Å; F81-Y153 HydrophobicContact CD2-CE2 3.74Å; F81-Y153 HydrophobicContact CD2-CG 4.32Å; F81-Y153 HydrophobicContact CE2-CE2 4.47Å; F81-Y153 HydrophobicContact CG-CD2 4.38Å; N107-Y153 HydrophobicContact CB-CD1 3.95Å; N107-Y153 HydrophobicContact CB-CE1 3.72Å; K108-Y153 HydrophobicContact CB-CE1 3.56Å; K108-Y153 HydrophobicContact CB-CE2 4.12Å; K108-Y153 VanDerWaalsContact CB-OH 3.22Å; K108-Y153 WeakPolarHBondContact CB-OH 3.39Å; K108-Y153 HydrophobicContact CG-CE2 4.47Å; Y149-Y153 AromaticContact CD1-CE2 3.9Å; Y149-Y153 HydrophobicContact CD1-CE2 3.9Å; Y149-Y153 HydrophobicContact CG-CE2 4.34Å; Y149-Y153 WeakPolarHBondContact O-CD2 3.46Å; Y153-F156 HydrophobicContact CD2-CE1 4.47Å; Y153-R208 PolarHBondContact O-NH1 3.47Å
154	D	98.8	Very high	98.4	Very high	14 Å²	14	35.1 Å²	35.1	8%	0.075	17%	0.169	C	C	.	.	S	Bend	trans	-98.7	-37.4	-174.2	-56.1	-50.4	0	0	0	111.4	R79 P179 R208	R79-D154 VanDerWaalsContact CB-OD2 3.26Å; R79-D154 WeakPolarHBondContact CB-OD2 3.36Å; R79-D154 WeakPolarHBondContact CG-OD2 3.49Å; R79-D154 IonicContact CZ-OD1 3.25Å; R79-D154 IonicContact CZ-OD2 3.65Å; R79-D154 PolarHBondContact N-OD2 2.81Å; R79-D154 IonicContact NE-OD1 3.76Å; R79-D154 IonicContact NE-OD2 2.82Å; R79-D154 PolarHBondContact NE-OD2 3.39Å; R79-D154 IonicContact NH2-OD1 2.95Å; R79-D154 PolarHBondContact NH2-OD1 3.4Å; R79-D154 IonicContact NH2-OD2 3.61Å; R79-D154 PolarHBondContact O-N 2.92Å; D154-P179 HydrophobicContact CB-CB 3.79Å; D154-P179 HydrophobicContact CB-CG 4.08Å; D154-P179 WeakPolarHBondContact O-CB 3.4Å; D154-R208 PolarHBondContact O-N 3.38Å; D154-R208 IonicContact OD1-CZ 3.66Å; D154-R208 IonicContact OD1-NH1 2.96Å; D154-R208 PolarHBondContact OD1-NH1 2.65Å
155	Y	98.9	Very high	98.5	Very high	6 Å²	6	31.5 Å²	31.5	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.4	-177.4	-51.9	-81	0	0	0	111	V78 R79 V80 F81 L174 Q177 P179 F183 L206	V78-Y155 HydrophobicContact CG1-CD2 3.71Å; V78-Y155 HydrophobicContact CG1-CE2 3.71Å; R79-Y155 PolarHBondContact O-N 3.41Å; V80-Y155 WeakPolarHBondContact CA-O 3.41Å; F81-Y155 PolarHBondContact N-O 3.37Å; Y155-L174 HydrophobicContact CD1-CD1 4.25Å; Y155-L174 HydrophobicContact CD1-CD2 3.73Å; Y155-L174 HydrophobicContact CD1-CG 4.44Å; Y155-L174 HydrophobicContact CD2-CB 4.1Å; Y155-L174 HydrophobicContact CD2-CD1 3.71Å; Y155-L174 HydrophobicContact CD2-CD2 4.46Å; Y155-L174 HydrophobicContact CD2-CG 4.32Å; Y155-L174 HydrophobicContact CE1-CD2 3.99Å; Y155-L174 HydrophobicContact CE2-CB 3.97Å; Y155-L174 HydrophobicContact CE2-CD1 4.41Å; Y155-L174 HydrophobicContact CG-CB 4.46Å; Y155-L174 HydrophobicContact CG-CD1 3.6Å; Y155-L174 HydrophobicContact CG-CD2 3.98Å; Y155-L174 HydrophobicContact CG-CG 4.23Å; Y155-L174 PolarHBondContact OH-O 3.44Å; Y155-Q177 HydrophobicContact CE1-CB 4.23Å; Y155-Q177 PolarHBondContact OH-O 2.82Å; Y155-P179 HydrophobicContact CE1-CB 3.91Å; Y155-P179 HydrophobicContact CE2-CB 4.33Å; Y155-P179 WeakPolarHBondContact OH-CD 3.24Å; Y155-F183 HydrophobicContact CD1-CE1 4.44Å; Y155-F183 AromaticContact CD1-CZ 3.83Å; Y155-F183 HydrophobicContact CD1-CZ 3.83Å; Y155-F183 AromaticContact CE1-CE1 3.84Å; Y155-F183 HydrophobicContact CE1-CE1 3.84Å; Y155-F183 AromaticContact CE1-CZ 3.49Å; Y155-F183 HydrophobicContact CE1-CZ 3.49Å; Y155-F183 VanDerWaalsContact CE1-CZ 3.49Å; Y155-L206 CarbonylContact C-O 3.26Å; Y155-L206 WeakPolarHBondContact CA-O 3.39Å
156	F	98.9	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	108.5	-174.1	-56.2	-99.5	0	0	0	110.2	F81 W83 I145 Y153 V205 L206 R208 L211	F81-F156 HydrophobicContact CB-CD1 3.54Å; F81-F156 HydrophobicContact CB-CE1 3.84Å; F81-F156 HydrophobicContact CB-CG 4.35Å; F81-F156 HydrophobicContact CD1-CD1 4.07Å; F81-F156 AromaticContact CG-CD1 3.89Å; F81-F156 HydrophobicContact CG-CD1 3.89Å; F81-F156 HydrophobicContact CG-CE1 4.15Å; F81-F156 CarbonylContact O-C 3.47Å; F81-F156 VanDerWaalsContact O-CA 3.26Å; F81-F156 WeakPolarHBondContact O-CA 3.14Å; W83-F156 HydrophobicContact CE3-CB 3.78Å; W83-F156 HydrophobicContact CH2-CB 4.27Å; W83-F156 HydrophobicContact CZ3-CB 3.25Å; W83-F156 HydrophobicContact CZ3-CG 4.31Å; I145-F156 HydrophobicContact CG2-CD1 3.36Å; I145-F156 HydrophobicContact CG2-CE1 3.42Å; I145-F156 VanDerWaalsContact CG2-CE1 3.42Å; I145-F156 HydrophobicContact CG2-CG 4.46Å; Y153-F156 HydrophobicContact CD2-CE1 4.47Å; F156-V205 WeakPolarHBondContact O-CA 3.45Å; F156-L206 PolarHBondContact N-O 2.68Å; F156-L206 PolarHBondContact O-N 3.34Å; F156-R208 HydrophobicContact CE2-CB 4.04Å; F156-L211 HydrophobicContact CD1-CD2 3.84Å; F156-L211 HydrophobicContact CD2-CB 4.19Å; F156-L211 HydrophobicContact CD2-CD2 3.81Å; F156-L211 HydrophobicContact CE1-CD2 3.82Å; F156-L211 HydrophobicContact CE2-CD2 3.82Å; F156-L211 HydrophobicContact CG-CD2 3.87Å; F156-L211 HydrophobicContact CZ-CD2 3.84Å
157	M	98.9	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.8	-176.7	175.8	59.6	-179.3	0	0	110.6	V80 F81 C82 W83 V165 L170 Y204 V205 F260	V80-M157 HydrophobicContact CG1-CB 4.12Å; F81-M157 PolarHBondContact O-N 3.33Å; C82-M157 CarbonylContact C-O 3.52Å; C82-M157 WeakPolarHBondContact CA-O 3.09Å; W83-M157 PolarHBondContact N-O 3.44Å; M157-V165 HydrophobicContact CE-CG1 4.11Å; M157-V165 HydrophobicContact CE-CG2 3.81Å; M157-L170 HydrophobicContact CB-CD2 3.98Å; M157-L170 HydrophobicContact CG-CD2 4.04Å; M157-L170 HydrophobicContact SD-CD2 4.33Å; M157-Y204 VanDerWaalsContact SD-O 3.37Å; M157-V205 HydrophobicContact CB-CG2 4.44Å; M157-V205 HydrophobicContact SD-CG2 3.49Å; M157-V205 WeakPolarHBondContact SD-CG2 3.33Å; M157-F260 HydrophobicContact CE-CD1 4.42Å; M157-F260 HydrophobicContact CE-CE1 3.98Å; M157-F260 HydrophobicContact SD-CE1 4.12Å
158	K	98.8	Very high	98.4	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.013	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.6	166.7	-173.4	-94.8	-161.3	-168	0	110.3	W83 D160 G200 G203 Y204 E233	W83-K158 HydrophobicContact CD2-CB 4.36Å; W83-K158 VanDerWaalsContact CE2-CB 3.47Å; W83-K158 HydrophobicContact CH2-CB 4.42Å; W83-K158 HydrophobicContact CZ2-CB 3.52Å; W83-K158 HydrophobicContact CZ2-CG 4.07Å; W83-K158 WeakPolarHBondContact O-CA 3.32Å; K158-D160 WeakPolarHBondContact CE-OD1 3.24Å; K158-D160 VanDerWaalsContact NZ-CG 3.26Å; K158-D160 IonicContact NZ-OD1 3.13Å; K158-D160 PolarHBondContact NZ-OD1 2.85Å; K158-D160 IonicContact NZ-OD2 3.5Å; K158-D160 PolarHBondContact NZ-OD2 3.07Å; K158-D160 VanDerWaalsContact NZ-OD2 3.15Å; K158-G200 PolarHBondContact NZ-O 3.3Å; K158-G203 VanDerWaalsContact O-CA 3.24Å; K158-G203 WeakPolarHBondContact O-CA 3.47Å; K158-Y204 HydrophobicContact CB-CD1 4.39Å; K158-Y204 HydrophobicContact CB-CD2 3.81Å; K158-Y204 HydrophobicContact CB-CE1 4.06Å; K158-Y204 HydrophobicContact CB-CE2 3.4Å; K158-Y204 VanDerWaalsContact CB-CE2 3.4Å; K158-Y204 HydrophobicContact CB-CG 4.26Å; K158-Y204 HydrophobicContact CD-CD1 4.24Å; K158-Y204 HydrophobicContact CD-CE1 3.66Å; K158-Y204 HydrophobicContact CG-CE1 3.94Å; K158-Y204 HydrophobicContact CG-CE2 3.95Å; K158-Y204 WeakPolarHBondContact CG-OH 3.33Å; K158-Y204 PolarHBondContact N-O 2.99Å; K158-Y204 PolarHBondContact O-N 3.42Å; K158-E233 IonicContact NZ-OE2 3.61Å
159	A	98.7	Very high	98.4	Very high	1 Å²	1	23 Å²	23	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	167	167.6	0	0	0	0	0	111.3	W83 I84 L85 W102 V165	W83-A159 PolarHBondContact O-N 2.93Å; W83-A159 VanDerWaalsContact O-N 3.11Å; I84-A159 CarbonylContact C-O 3.2Å; I84-A159 WeakPolarHBondContact CA-O 3.39Å; I84-A159 HydrophobicContact CG1-CB 4.5Å; L85-A159 PolarHBondContact N-O 2.79Å; W102-A159 HydrophobicContact CH2-CB 3.63Å; W102-A159 HydrophobicContact CZ2-CB 3.95Å; A159-V165 HydrophobicContact CB-CG2 4.05Å
160	D	98.2	Very high	98.4	Very high	28 Å²	28	20.9 Å²	20.9	15%	0.15	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	165.3	172.8	-65.8	-22.6	0	0	0	110.8	K158 D162 S163 H303	K158-D160 WeakPolarHBondContact CE-OD1 3.24Å; K158-D160 VanDerWaalsContact NZ-CG 3.26Å; K158-D160 IonicContact NZ-OD1 3.13Å; K158-D160 PolarHBondContact NZ-OD1 2.85Å; K158-D160 IonicContact NZ-OD2 3.5Å; K158-D160 PolarHBondContact NZ-OD2 3.07Å; K158-D160 VanDerWaalsContact NZ-OD2 3.15Å; D160-D162 PolarHBondContact O-N 3.46Å; D160-D162 VanDerWaalsContact O-N 3.15Å; D160-S163 PolarHBondContact N-OG 2.93Å; D160-S163 VanDerWaalsContact N-OG 3.12Å; D160-S163 WeakPolarHBondContact O-CB 3.25Å; D160-S163 PolarHBondContact O-N 2.88Å; D160-S163 PolarHBondContact O-OG 3.46Å; D160-H303 IonicContact OD2-NE2 3.93Å
161	D	97.9	Very high	98.4	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.048	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-4.6	-179.4	62.8	20.7	0	0	0	115.2	L85 T86 N90 K94 V98 M310	L85-D161 PolarHBondContact O-N 3.46Å; T86-D161 WeakPolarHBondContact CA-OD2 3.22Å; T86-D161 WeakPolarHBondContact CB-OD2 3.43Å; T86-D161 PolarHBondContact OG1-OD2 3.36Å; N90-D161 WeakPolarHBondContact CB-OD2 3.4Å; N90-D161 PolarHBondContact ND2-OD1 3.35Å; N90-D161 PolarHBondContact ND2-OD2 3.34Å; K94-D161 HydrophobicContact CB-CB 3.99Å; K94-D161 WeakPolarHBondContact CB-O 3.22Å; K94-D161 HydrophobicContact CD-CB 4.32Å; K94-D161 WeakPolarHBondContact CD-OD1 3.46Å; K94-D161 IonicContact NZ-OD1 3.37Å; K94-D161 PolarHBondContact NZ-OD1 2.9Å; V98-D161 WeakPolarHBondContact CG2-O 3.22Å; D161-M310 WeakPolarHBondContact O-CE 3.06Å
162	D	98.4	Very high	98.2	Very high	29 Å²	29	18.4 Å²	18.4	16%	0.155	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	32.2	170.2	52.4	8.9	0	0	0	111.9	K94 D160 H303 Y304 I305	K94-D162 HydrophobicContact CD-CB 4.36Å; K94-D162 IonicContact NZ-OD2 3.61Å; K94-D162 PolarHBondContact NZ-OD2 3.3Å; D160-D162 PolarHBondContact O-N 3.46Å; D160-D162 VanDerWaalsContact O-N 3.15Å; D162-H303 CarbonylContact O-C 3.54Å; D162-H303 IonicContact OD1-CD2 3.15Å; D162-H303 PolarHBondContact OD1-CD2 3.28Å; D162-H303 IonicContact OD1-NE2 2.71Å; D162-H303 PolarHBondContact OD1-NE2 2.63Å; D162-H303 VanDerWaalsContact OD1-NE2 3.13Å; D162-Y304 PolarHBondContact O-N 2.89Å; D162-I305 PolarHBondContact O-N 3.49Å
163	S	98.7	Very high	98.1	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.021	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	152.8	169.3	-55.7	0	0	0	0	111.5	W102 D160 F302	W102-S163 PolarHBondContact NE1-O 3.24Å; D160-S163 PolarHBondContact N-OG 2.93Å; D160-S163 VanDerWaalsContact N-OG 3.12Å; D160-S163 WeakPolarHBondContact O-CB 3.25Å; D160-S163 PolarHBondContact O-N 2.88Å; D160-S163 PolarHBondContact O-OG 3.46Å; S163-F302 CarbonylContact C-O 3.12Å; S163-F302 VanDerWaalsContact CA-O 3.25Å; S163-F302 WeakPolarHBondContact CA-O 3.43Å
164	Y	98.8	Very high	98.1	Very high	2 Å²	2	14 Å²	14	1%	0.008	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.6	164.4	-165.5	-81.8	0	0	0	109.1	W102 I166 S301 F302 M310 Y313 E314 L317 Y318	W102-Y164 HydrophobicContact CB-CD2 4.39Å; W102-Y164 HydrophobicContact CB-CE1 4.32Å; W102-Y164 HydrophobicContact CB-CE2 4.07Å; W102-Y164 AromaticContact CD1-CD2 3.59Å; W102-Y164 AromaticContact CD1-CE2 3.99Å; W102-Y164 AromaticContact CD1-CG 3.96Å; W102-Y164 HydrophobicContact CG-CD2 4.3Å; W102-Y164 HydrophobicContact CG-CE2 4.42Å; W102-Y164 HydrophobicContact CG-CG 4.5Å; Y164-I166 HydrophobicContact CD1-CG1 4.28Å; Y164-I166 HydrophobicContact CE1-CG1 4.15Å; Y164-S301 WeakPolarHBondContact O-CA 3.23Å; Y164-F302 PolarHBondContact N-O 2.89Å; Y164-F302 PolarHBondContact O-N 3.37Å; Y164-M310 HydrophobicContact CD2-CB 4.14Å; Y164-M310 HydrophobicContact CD2-CG 4.28Å; Y164-M310 HydrophobicContact CE2-CB 4.48Å; Y164-M310 WeakPolarHBondContact CE2-O 3.42Å; Y164-Y313 HydrophobicContact CD1-CD2 4.42Å; Y164-Y313 HydrophobicContact CD2-CD2 4.3Å; Y164-Y313 HydrophobicContact CG-CD2 4.03Å; Y164-E314 PolarHBondContact OH-OE2 3.36Å; Y164-L317 HydrophobicContact CD1-CD1 4.49Å; Y164-L317 HydrophobicContact CE1-CD1 3.7Å; Y164-Y318 WeakPolarHBondContact OH-CE2 3.28Å
165	V	98.9	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.1	-177.3	-175.4	0	0	0	0	110.2	W102 M157 A159 V167 V300	W102-V165 WeakPolarHBondContact CB-O 3.29Å; W102-V165 HydrophobicContact CD2-CB 4.06Å; W102-V165 HydrophobicContact CD2-CG2 4.38Å; W102-V165 HydrophobicContact CE3-CB 3.71Å; W102-V165 HydrophobicContact CE3-CG2 4.15Å; W102-V165 HydrophobicContact CH2-CB 4.31Å; W102-V165 HydrophobicContact CH2-CG2 3.83Å; W102-V165 HydrophobicContact CZ2-CG2 4.07Å; W102-V165 HydrophobicContact CZ3-CB 3.86Å; W102-V165 HydrophobicContact CZ3-CG2 3.88Å; M157-V165 HydrophobicContact CE-CG1 4.11Å; M157-V165 HydrophobicContact CE-CG2 3.81Å; A159-V165 HydrophobicContact CB-CG2 4.05Å; V165-V167 HydrophobicContact CG1-CG2 4.2Å; V165-V167 PolarHBondContact O-N 3.37Å; V165-V300 CarbonylContact C-O 3.57Å; V165-V300 VanDerWaalsContact CA-O 3.3Å; V165-V300 WeakPolarHBondContact CA-O 3.49Å; V165-V300 HydrophobicContact CG1-CG1 4.22Å
166	I	98.6	Very high	97.6	Very high	20 Å²	20	21.5 Å²	21.5	10%	0.103	10%	0.101	C	C	.	.			trans	-88.2	89.9	172.6	-51.7	176.3	0	0	0	107.2	Y164 E168 N169 L170 V300 L317	Y164-I166 HydrophobicContact CD1-CG1 4.28Å; Y164-I166 HydrophobicContact CE1-CG1 4.15Å; I166-E168 PolarHBondContact O-N 2.99Å; I166-N169 HydrophobicContact CB-CB 4.14Å; I166-N169 HydrophobicContact CG2-CB 3.91Å; I166-N169 WeakPolarHBondContact CG2-ND2 3.16Å; I166-N169 WeakPolarHBondContact O-CB 3.37Å; I166-N169 PolarHBondContact O-N 2.83Å; I166-N169 VanDerWaalsContact O-N 3.14Å; I166-L170 PolarHBondContact O-N 3.32Å; I166-V300 PolarHBondContact N-O 3.03Å; I166-L317 HydrophobicContact CD1-CD1 3.74Å; I166-L317 HydrophobicContact CD1-CD2 4.22Å; I166-L317 HydrophobicContact CG1-CD1 3.98Å
167	V	98.6	Very high	97.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.9	-27.9	-169.5	-172.4	0	0	0	0	111.9	W102 R105 V165 L170 R171	W102-V167 HydrophobicContact CE3-CG2 4.43Å; R105-V167 HydrophobicContact CB-CB 3.85Å; R105-V167 HydrophobicContact CB-CG2 3.78Å; V165-V167 HydrophobicContact CG1-CG2 4.2Å; V165-V167 PolarHBondContact O-N 3.37Å; V167-L170 WeakPolarHBondContact O-CB 3.27Å; V167-L170 PolarHBondContact O-N 3.26Å; V167-R171 WeakPolarHBondContact O-CG 3.5Å; V167-R171 PolarHBondContact O-N 2.98Å
168	E	96.8	Very high	97.5	Very high	46 Å²	46	27.5 Å²	27.5	22%	0.215	13%	0.131	C	C	.	.	H	α-helix	trans	-63.8	-45.9	174.3	-64.8	80.8	176.4	0	0	110.8	A71 R105 I166 L170 R171 K172 Y318	A71-E168 HydrophobicContact CB-CG 3.89Å; R105-E168 WeakPolarHBondContact CD-OE1 3.39Å; R105-E168 WeakPolarHBondContact CD-OE2 3.31Å; R105-E168 IonicContact NE-OE1 3.55Å; R105-E168 PolarHBondContact NE-OE1 3.45Å; R105-E168 IonicContact NE-OE2 3.5Å; I166-E168 PolarHBondContact O-N 2.99Å; E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 PolarHBondContact O-N 2.9Å; E168-R171 PolarHBondContact O-N 3.41Å; E168-R171 VanDerWaalsContact O-N 3.17Å; E168-K172 PolarHBondContact O-N 2.79Å; E168-Y318 PolarHBondContact OE2-OH 2.8Å
169	N	97.2	Very high	97.5	Very high	26 Å²	26	28.3 Å²	28.3	14%	0.139	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-36.4	174.2	-71.3	-6.7	0	0	0	111.2	I166 R171 K172 I173 Y298 A299 V300	I166-N169 HydrophobicContact CB-CB 4.14Å; I166-N169 HydrophobicContact CG2-CB 3.91Å; I166-N169 WeakPolarHBondContact CG2-ND2 3.16Å; I166-N169 WeakPolarHBondContact O-CB 3.37Å; I166-N169 PolarHBondContact O-N 2.83Å; I166-N169 VanDerWaalsContact O-N 3.14Å; N169-R171 VanDerWaalsContact C-N 3.35Å; N169-R171 PolarHBondContact O-N 2.93Å; N169-K172 WeakPolarHBondContact O-CB 3.48Å; N169-K172 PolarHBondContact O-N 2.98Å; N169-I173 PolarHBondContact O-N 2.87Å; N169-Y298 WeakPolarHBondContact CB-O 3.37Å; N169-Y298 VanDerWaalsContact ND2-C 3.34Å; N169-Y298 WeakPolarHBondContact ND2-CA 3.41Å; N169-A299 WeakPolarHBondContact CB-O 3.11Å; N169-A299 PolarHBondContact ND2-O 3.46Å; N169-V300 HydrophobicContact CB-CG2 4.23Å
170	L	98.7	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-44.4	172.1	176.2	57.4	0	0	0	111.2	V80 M157 I166 V167 E168 K172 I173 L174 V205 F260 V300	V80-L170 HydrophobicContact CG1-CD2 3.91Å; M157-L170 HydrophobicContact CB-CD2 3.98Å; M157-L170 HydrophobicContact CG-CD2 4.04Å; M157-L170 HydrophobicContact SD-CD2 4.33Å; I166-L170 PolarHBondContact O-N 3.32Å; V167-L170 WeakPolarHBondContact O-CB 3.27Å; V167-L170 PolarHBondContact O-N 3.26Å; E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 PolarHBondContact O-N 2.9Å; L170-K172 VanDerWaalsContact C-N 3.3Å; L170-K172 PolarHBondContact O-N 3.41Å; L170-I173 HydrophobicContact CD1-CD1 4.1Å; L170-I173 HydrophobicContact CD1-CG1 4.18Å; L170-I173 WeakPolarHBondContact O-CG1 3.26Å; L170-I173 PolarHBondContact O-N 2.75Å; L170-L174 HydrophobicContact CD1-CD1 3.57Å; L170-L174 HydrophobicContact CD1-CD2 4.43Å; L170-L174 HydrophobicContact CD1-CG 3.79Å; L170-L174 HydrophobicContact CD2-CD1 4.29Å; L170-L174 HydrophobicContact CG-CD1 3.62Å; L170-L174 HydrophobicContact CG-CG 4.25Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 VanDerWaalsContact O-CG 3.25Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.49Å; L170-V205 HydrophobicContact CD1-CG2 3.54Å; L170-V205 HydrophobicContact CD2-CG2 4.3Å; L170-F260 HydrophobicContact CD1-CZ 4.17Å; L170-V300 HydrophobicContact CB-CG1 3.85Å; L170-V300 HydrophobicContact CB-CG2 4.29Å; L170-V300 HydrophobicContact CD1-CG1 4.1Å; L170-V300 HydrophobicContact CG-CG1 4.41Å
171	R	97.8	Very high	97.5	Very high	8 Å²	8	38 Å²	38	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-34.9	175.9	-69.6	176.5	-180	118.7	-3	112.4	L74 V78 V80 R105 N107 V167 E168 N169 I173 L174 H175	L74-R171 HydrophobicContact CB-CB 4.13Å; L74-R171 HydrophobicContact CD1-CB 4.42Å; V78-R171 HydrophobicContact CB-CB 4.38Å; V78-R171 HydrophobicContact CB-CG 4.06Å; V78-R171 HydrophobicContact CG1-CB 4.35Å; V78-R171 HydrophobicContact CG1-CG 3.97Å; V78-R171 PolarHBondContact O-NE 2.67Å; V80-R171 HydrophobicContact CG2-CG 4.24Å; R105-R171 PolarHBondContact O-NH1 2.83Å; R105-R171 VanDerWaalsContact O-NH1 3.17Å; R105-R171 PolarHBondContact O-NH2 3.17Å; N107-R171 PolarHBondContact OD1-NH2 3.26Å; V167-R171 WeakPolarHBondContact O-CG 3.5Å; V167-R171 PolarHBondContact O-N 2.98Å; E168-R171 PolarHBondContact O-N 3.41Å; E168-R171 VanDerWaalsContact O-N 3.17Å; N169-R171 VanDerWaalsContact C-N 3.35Å; N169-R171 PolarHBondContact O-N 2.93Å; R171-I173 VanDerWaalsContact C-N 3.29Å; R171-I173 PolarHBondContact O-N 3.12Å; R171-L174 PolarHBondContact O-N 3.19Å; R171-H175 WeakPolarHBondContact O-CB 3.31Å; R171-H175 PolarHBondContact O-N 2.75Å
172	K	94	Very high	97.6	Very high	74 Å²	74	39.7 Å²	39.7	32%	0.322	19%	0.193	S	C	.	.	H	α-helix	trans	-58.6	-38.3	174.1	177.4	177	176.7	-79.6	0	112.3	E168 N169 L170 H175 Y298	E168-K172 PolarHBondContact O-N 2.79Å; N169-K172 WeakPolarHBondContact O-CB 3.48Å; N169-K172 PolarHBondContact O-N 2.98Å; L170-K172 VanDerWaalsContact C-N 3.3Å; L170-K172 PolarHBondContact O-N 3.41Å; K172-H175 PolarHBondContact O-CE1 2.78Å; K172-H175 PolarHBondContact O-ND1 3.07Å; K172-Y298 HydrophobicContact CD-CD1 3.44Å; K172-Y298 VanDerWaalsContact CD-CD1 3.44Å; K172-Y298 HydrophobicContact CD-CD2 4.12Å; K172-Y298 HydrophobicContact CD-CE1 3.77Å; K172-Y298 HydrophobicContact CD-CE2 4.4Å; K172-Y298 HydrophobicContact CD-CG 3.62Å; K172-Y298 VanDerWaalsContact NZ-CD2 3.25Å
173	I	96.5	Very high	97.6	Very high	26 Å²	26	38.6 Å²	38.6	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-81.9	-33	176.3	62.5	174.6	0	0	0	112.4	N169 L170 R171 M185 F260 V300	N169-I173 PolarHBondContact O-N 2.87Å; L170-I173 HydrophobicContact CD1-CD1 4.1Å; L170-I173 HydrophobicContact CD1-CG1 4.18Å; L170-I173 WeakPolarHBondContact O-CG1 3.26Å; L170-I173 PolarHBondContact O-N 2.75Å; R171-I173 VanDerWaalsContact C-N 3.29Å; R171-I173 PolarHBondContact O-N 3.12Å; I173-M185 HydrophobicContact CD1-SD 3.55Å; I173-M185 VanDerWaalsContact CD1-SD 3.55Å; I173-M185 HydrophobicContact CG1-SD 4.14Å; I173-F260 HydrophobicContact CD1-CE2 3.66Å; I173-F260 HydrophobicContact CD1-CZ 4.03Å; I173-V300 HydrophobicContact CD1-CG2 3.75Å; I173-V300 HydrophobicContact CG1-CG2 4.4Å
174	L	98.3	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-78.6	-28.4	-176.4	-68.8	177	0	0	0	114.7	V78 V80 Y155 L170 R171 K176 Q177 F183 M185 V205	V78-L174 HydrophobicContact CG1-CB 3.78Å; V78-L174 HydrophobicContact CG1-CD1 4.25Å; V80-L174 HydrophobicContact CG2-CD1 4.01Å; Y155-L174 HydrophobicContact CD1-CD1 4.25Å; Y155-L174 HydrophobicContact CD1-CD2 3.73Å; Y155-L174 HydrophobicContact CD1-CG 4.44Å; Y155-L174 HydrophobicContact CD2-CB 4.1Å; Y155-L174 HydrophobicContact CD2-CD1 3.71Å; Y155-L174 HydrophobicContact CD2-CD2 4.46Å; Y155-L174 HydrophobicContact CD2-CG 4.32Å; Y155-L174 HydrophobicContact CE1-CD2 3.99Å; Y155-L174 HydrophobicContact CE2-CB 3.97Å; Y155-L174 HydrophobicContact CE2-CD1 4.41Å; Y155-L174 HydrophobicContact CG-CB 4.46Å; Y155-L174 HydrophobicContact CG-CD1 3.6Å; Y155-L174 HydrophobicContact CG-CD2 3.98Å; Y155-L174 HydrophobicContact CG-CG 4.23Å; Y155-L174 PolarHBondContact OH-O 3.44Å; L170-L174 HydrophobicContact CD1-CD1 3.57Å; L170-L174 HydrophobicContact CD1-CD2 4.43Å; L170-L174 HydrophobicContact CD1-CG 3.79Å; L170-L174 HydrophobicContact CD2-CD1 4.29Å; L170-L174 HydrophobicContact CG-CD1 3.62Å; L170-L174 HydrophobicContact CG-CG 4.25Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 VanDerWaalsContact O-CG 3.25Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.49Å; R171-L174 PolarHBondContact O-N 3.19Å; L174-K176 PolarHBondContact O-N 3.12Å; L174-Q177 WeakPolarHBondContact O-CB 3.19Å; L174-Q177 PolarHBondContact O-N 2.04Å; L174-F183 HydrophobicContact CD2-CE2 4.37Å; L174-F183 HydrophobicContact CD2-CZ 4.17Å; L174-M185 HydrophobicContact CD2-SD 4.36Å; L174-V205 HydrophobicContact CD1-CG1 4.24Å; L174-V205 HydrophobicContact CD2-CG1 4.08Å
175	H	95.1	Very high	97.6	Very high	45 Å²	45	38.6 Å²	38.6	21%	0.208	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.6	-177.7	82	-79.4	0	0	0	114.2	L74 V78 R171 K172	L74-H175 HydrophobicContact CD2-CB 3.9Å; V78-H175 HydrophobicContact CG2-CB 3.77Å; R171-H175 WeakPolarHBondContact O-CB 3.31Å; R171-H175 PolarHBondContact O-N 2.75Å; K172-H175 PolarHBondContact O-CE1 2.78Å; K172-H175 PolarHBondContact O-ND1 3.07Å
176	K	92.1	Very high	97.6	Very high	132 Å²	132	38.7 Å²	38.7	57%	0.574	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.5	175.8	-58.5	-171.6	176	-170.7	0	113.2	L174	L174-K176 PolarHBondContact O-N 3.12Å
177	Q	97.4	Very high	97.5	Very high	64 Å²	64	37.9 Å²	37.9	30%	0.299	18%	0.183	S	C	.	.	S	Bend	trans	-100.5	161.4	-176.6	-53.5	-54.7	-36.8	0	0	110.7	Y155 L174 F183 M185	Y155-Q177 HydrophobicContact CE1-CB 4.23Å; Y155-Q177 PolarHBondContact OH-O 2.82Å; L174-Q177 WeakPolarHBondContact O-CB 3.19Å; L174-Q177 PolarHBondContact O-N 2.04Å; Q177-F183 HydrophobicContact CB-CE1 3.77Å; Q177-F183 HydrophobicContact CB-CZ 3.72Å; Q177-F183 HydrophobicContact CG-CE1 4.39Å; Q177-F183 HydrophobicContact CG-CZ 3.99Å; Q177-M185 HydrophobicContact CG-CE 4.31Å
178	D	98.1	Very high	97.5	Very high	62 Å²	62	39.4 Å²	39.4	33%	0.332	19%	0.189	S	C	.	.			trans	-105	114.4	174.6	-179.3	-11.2	0	0	0	108.7	D180 K181	D178-D180 PolarHBondContact O-N 3.38Å; D178-D180 PolarHBondContact OD1-N 3.45Å; D178-K181 HydrophobicContact CB-CB 4.29Å; D178-K181 HydrophobicContact CB-CD 3.92Å; D178-K181 HydrophobicContact CB-CG 3.95Å; D178-K181 PolarHBondContact O-N 2.99Å; D178-K181 VanDerWaalsContact O-N 3.13Å; D178-K181 VanDerWaalsContact OD2-CE 3.3Å; D178-K181 WeakPolarHBondContact OD2-CE 3.39Å
179	P	98.6	Very high	97.6	Very high	20 Å²	20	37.4 Å²	37.4	13%	0.13	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.7	-178.2	29	-34.3	0	0	0	113.5	D154 Y155 R208 A209	D154-P179 HydrophobicContact CB-CB 3.79Å; D154-P179 HydrophobicContact CB-CG 4.08Å; D154-P179 WeakPolarHBondContact O-CB 3.4Å; Y155-P179 HydrophobicContact CE1-CB 3.91Å; Y155-P179 HydrophobicContact CE2-CB 4.33Å; Y155-P179 WeakPolarHBondContact OH-CD 3.24Å; P179-R208 HydrophobicContact CB-CB 4.49Å; P179-R208 PolarHBondContact O-N 3.24Å; P179-A209 PolarHBondContact O-N 2.91Å
180	D	98.6	Very high	97.7	Very high	100 Å²	100	41 Å²	41	54%	0.535	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.1	177.1	-63.9	-46.2	0	0	0	112.8	D178 R208 A209	D178-D180 PolarHBondContact O-N 3.38Å; D178-D180 PolarHBondContact OD1-N 3.45Å; D180-R208 IonicContact OD1-CZ 2.66Å; D180-R208 VanDerWaalsContact OD1-CZ 3.25Å; D180-R208 IonicContact OD1-NE 3.06Å; D180-R208 PolarHBondContact OD1-NE 3.34Å; D180-R208 IonicContact OD1-NH2 2.73Å; D180-R208 PolarHBondContact OD1-NH2 2.88Å; D180-R208 IonicContact OD2-NH2 3.01Å; D180-R208 PolarHBondContact OD2-NH2 3.11Å; D180-A209 VanDerWaalsContact C-CB 3.47Å; D180-A209 VanDerWaalsContact O-CB 3.23Å; D180-A209 WeakPolarHBondContact O-CB 3.35Å
181	K	98.7	Very high	97.6	Very high	133 Å²	133	43.9 Å²	43.9	58%	0.578	21%	0.213	S	C	*	.	S	Bend	trans	-92.2	129.1	166.8	-69.5	-178.4	-171.8	169.1	0	110.4	D178 F183 S207	D178-K181 HydrophobicContact CB-CB 4.29Å; D178-K181 HydrophobicContact CB-CD 3.92Å; D178-K181 HydrophobicContact CB-CG 3.95Å; D178-K181 PolarHBondContact O-N 2.99Å; D178-K181 VanDerWaalsContact O-N 3.13Å; D178-K181 VanDerWaalsContact OD2-CE 3.3Å; D178-K181 WeakPolarHBondContact OD2-CE 3.39Å; K181-F183 VanDerWaalsContact O-CD1 3.29Å; K181-F183 WeakPolarHBondContact O-CD1 3.32Å; K181-F183 PolarHBondContact O-N 3.39Å; K181-S207 VanDerWaalsContact O-CB 3.24Å; K181-S207 WeakPolarHBondContact O-CB 3.49Å; K181-S207 PolarHBondContact O-OG 3.43Å
182	P	98.8	Very high	97.6	Very high	43 Å²	43	46.9 Å²	46.9	28%	0.279	23%	0.226	S	C	.	.			trans	-74.2	100.1	-176.5	29.8	-34.8	0	0	0	111.3	A209 N213 V246 S247	P182-A209 HydrophobicContact CB-CB 4.14Å; P182-N213 WeakPolarHBondContact CB-ND2 3.37Å; P182-V246 HydrophobicContact CB-CG2 4.2Å; P182-S247 PolarHBondContact O-N 3.09Å
183	F	98.9	Very high	97.8	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.3	171.9	75.4	-94.8	0	0	0	114.3	Y155 L174 Q177 K181 M185 S207 V246 S247 V249	Y155-F183 HydrophobicContact CD1-CE1 4.44Å; Y155-F183 AromaticContact CD1-CZ 3.83Å; Y155-F183 HydrophobicContact CD1-CZ 3.83Å; Y155-F183 AromaticContact CE1-CE1 3.84Å; Y155-F183 HydrophobicContact CE1-CE1 3.84Å; Y155-F183 AromaticContact CE1-CZ 3.49Å; Y155-F183 HydrophobicContact CE1-CZ 3.49Å; Y155-F183 VanDerWaalsContact CE1-CZ 3.49Å; L174-F183 HydrophobicContact CD2-CE2 4.37Å; L174-F183 HydrophobicContact CD2-CZ 4.17Å; Q177-F183 HydrophobicContact CB-CE1 3.77Å; Q177-F183 HydrophobicContact CB-CZ 3.72Å; Q177-F183 HydrophobicContact CG-CE1 4.39Å; Q177-F183 HydrophobicContact CG-CZ 3.99Å; K181-F183 VanDerWaalsContact O-CD1 3.29Å; K181-F183 WeakPolarHBondContact O-CD1 3.32Å; K181-F183 PolarHBondContact O-N 3.39Å; F183-M185 HydrophobicContact CD2-CB 4.11Å; F183-M185 HydrophobicContact CE2-CB 4.01Å; F183-M185 HydrophobicContact CE2-CE 4.41Å; F183-S207 PolarHBondContact N-OG 3.16Å; F183-S207 PolarHBondContact O-N 2.84Å; F183-S207 VanDerWaalsContact O-N 3.09Å; F183-S207 PolarHBondContact O-OG 3.14Å; F183-V246 VanDerWaalsContact C-CG1 3.41Å; F183-S247 CarbonylContact C-O 3.51Å; F183-S247 WeakPolarHBondContact CA-O 3.17Å; F183-S247 WeakPolarHBondContact CB-O 3.41Å; F183-V249 HydrophobicContact CB-CB 4.43Å; F183-V249 HydrophobicContact CB-CG2 3.62Å; F183-V249 HydrophobicContact CD2-CB 4.22Å; F183-V249 HydrophobicContact CD2-CG2 4.19Å; F183-V249 HydrophobicContact CG-CB 4.48Å; F183-V249 HydrophobicContact CG-CG2 3.94Å
184	I	98.9	Very high	97.8	Very high	4 Å²	4	52 Å²	52	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.8	164.7	-169.9	174.6	0	0	0	109.5	M198 Y204 V205 L206 L237 V246 S247 I248 V249	I184-M198 HydrophobicContact CD1-CB 4.34Å; I184-M198 HydrophobicContact CD1-CG 3.83Å; I184-M198 HydrophobicContact CG1-CG 3.73Å; I184-M198 HydrophobicContact CG2-CG 4.43Å; I184-Y204 HydrophobicContact CD1-CD2 4.12Å; I184-Y204 HydrophobicContact CD1-CG 4.34Å; I184-V205 CarbonylContact C-O 3.49Å; I184-V205 VanDerWaalsContact CA-O 3.29Å; I184-V205 WeakPolarHBondContact CA-O 3.43Å; I184-L206 HydrophobicContact CB-CD2 3.69Å; I184-L206 HydrophobicContact CD1-CD2 3.88Å; I184-L206 HydrophobicContact CG1-CD2 3.65Å; I184-L237 HydrophobicContact CD1-CD2 3.85Å; I184-L237 HydrophobicContact CD1-CG 4.41Å; I184-V246 HydrophobicContact CB-CG1 4.07Å; I184-V246 HydrophobicContact CG2-CG1 4.28Å; I184-S247 PolarHBondContact N-O 3.4Å; I184-I248 HydrophobicContact CG2-CG1 3.79Å; I184-I248 WeakPolarHBondContact O-CA 3.43Å; I184-V249 PolarHBondContact O-N 2.8Å
185	M	98.7	Very high	97.8	Very high	2 Å²	2	54 Å²	54	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.2	-177	177.8	-179.1	-79	0	0	110.5	I173 L174 Q177 F183 Y204 V205 V249 F260	I173-M185 HydrophobicContact CD1-SD 3.55Å; I173-M185 VanDerWaalsContact CD1-SD 3.55Å; I173-M185 HydrophobicContact CG1-SD 4.14Å; L174-M185 HydrophobicContact CD2-SD 4.36Å; Q177-M185 HydrophobicContact CG-CE 4.31Å; F183-M185 HydrophobicContact CD2-CB 4.11Å; F183-M185 HydrophobicContact CE2-CB 4.01Å; F183-M185 HydrophobicContact CE2-CE 4.41Å; M185-Y204 CarbonylContact O-C 3.59Å; M185-Y204 WeakPolarHBondContact O-CA 3.27Å; M185-Y204 VanDerWaalsContact O-CB 3.31Å; M185-Y204 WeakPolarHBondContact O-CB 3.49Å; M185-V205 HydrophobicContact CB-CB 4.49Å; M185-V205 PolarHBondContact N-O 3.02Å; M185-V205 PolarHBondContact O-N 3.35Å; M185-V249 HydrophobicContact CE-CB 4.06Å; M185-V249 HydrophobicContact CE-CG1 3.53Å; M185-F260 HydrophobicContact CG-CE2 4.34Å
186	G	98.6	Very high	98	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.2	-162.5	-177.8	0	0	0	0	0	110.3	R188 M198 S251	G186-R188 PolarHBondContact O-N 3.15Å; G186-M198 VanDerWaalsContact CA-SD 3.55Å; G186-M198 PolarHBondContact N-SD 3.15Å; G186-M198 VanDerWaalsContact O-SD 3.36Å; G186-S251 PolarHBondContact O-OG 2.96Å
187	R	98.3	Very high	98.3	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.011	22%	0.221	C	C	.	.	S	Bend	trans	-79.1	116.2	174.8	-169.7	176.7	-168.3	103.4	9.5	111	F189 M198 S199 E258 F260 P262 Y280 N284	R187-F189 HydrophobicContact CG-CE1 4.37Å; R187-M198 CarbonylContact O-C 3.5Å; R187-M198 WeakPolarHBondContact O-CA 3.42Å; R187-S199 PolarHBondContact O-N 3.21Å; R187-E258 IonicContact CZ-OE1 3.17Å; R187-E258 IonicContact NE-OE1 3.3Å; R187-E258 VanDerWaalsContact NH1-CB 3.31Å; R187-E258 IonicContact NH2-OE1 2.84Å; R187-F260 HydrophobicContact CB-CB 3.98Å; R187-F260 WeakPolarHBondContact CB-O 3.32Å; R187-F260 WeakPolarHBondContact CD-O 3.2Å; R187-F260 PolarHBondContact NH1-O 3.26Å; R187-P262 VanDerWaalsContact CD-CD 3.42Å; R187-Y280 PolarHBondContact NE-OH 3.13Å; R187-Y280 PolarHBondContact NH1-OH 2.71Å; R187-Y280 PolarHBondContact NH2-OH 3.15Å; R187-N284 PolarHBondContact NE-OD1 3.12Å; R187-N284 PolarHBondContact NH2-ND2 3.44Å; R187-N284 VanDerWaalsContact NH2-ND2 3.19Å; R187-N284 PolarHBondContact NH2-OD1 3.23Å; R187-N284 VanDerWaalsContact NH2-OD1 3.17Å
188	R	98.6	Very high	98.3	Very high	33 Å²	33	42.8 Å²	42.8	13%	0.125	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.3	-175.1	-169.4	177.7	-173.4	175.7	-4	113	G186 Q195 M198 I248 D250 Y285	G186-R188 PolarHBondContact O-N 3.15Å; R188-Q195 VanDerWaalsContact CZ-O 3.25Å; R188-Q195 PolarHBondContact NE-O 2.95Å; R188-Q195 PolarHBondContact NH2-O 3.43Å; R188-M198 HydrophobicContact CB-CE 3.77Å; R188-M198 HydrophobicContact CG-CE 3.76Å; R188-I248 HydrophobicContact CG-CD1 4.46Å; R188-I248 HydrophobicContact CG-CG2 4.45Å; R188-D250 WeakPolarHBondContact CD-OD1 3.34Å; R188-D250 IonicContact NH1-OD1 3.91Å; R188-D250 IonicContact NH1-OD2 3.15Å; R188-D250 PolarHBondContact NH1-OD2 3.47Å; R188-Y285 HydrophobicContact CB-CG 4.42Å; R188-Y285 HydrophobicContact CG-CD1 4.48Å; R188-Y285 HydrophobicContact CG-CD2 4.1Å; R188-Y285 HydrophobicContact CG-CG 3.86Å; R188-Y285 WeakPolarHBondContact O-CB 3.21Å; R188-Y285 PolarHBondContact O-N 2.94Å
189	F	98.6	Very high	98.3	Very high	4 Å²	4	40 Å²	40	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	154.4	168	-70.9	-13	0	0	0	111.7	R187 G196 Y197 S199 P262 W279 Y280 Y283	R187-F189 HydrophobicContact CG-CE1 4.37Å; F189-G196 CarbonylContact O-C 3.57Å; F189-G196 WeakPolarHBondContact O-CA 3.3Å; F189-Y197 HydrophobicContact CB-CD1 4.28Å; F189-Y197 HydrophobicContact CB-CD2 4.23Å; F189-Y197 HydrophobicContact CB-CE1 3.76Å; F189-Y197 HydrophobicContact CB-CE2 3.72Å; F189-Y197 HydrophobicContact CB-CG 4.48Å; F189-Y197 VanDerWaalsContact CB-CZ 3.43Å; F189-Y197 AromaticContact CD2-CE2 3.84Å; F189-Y197 HydrophobicContact CD2-CE2 3.84Å; F189-Y197 HydrophobicContact CG-CE2 4.3Å; F189-Y197 PolarHBondContact N-O 3.04Å; F189-Y197 PolarHBondContact O-N 3.26Å; F189-S199 VanDerWaalsContact CE2-OG 3.31Å; F189-S199 WeakPolarHBondContact CE2-OG 3.37Å; F189-P262 HydrophobicContact CZ-CG 4.25Å; F189-W279 AromaticContact CE2-CZ3 3.93Å; F189-W279 HydrophobicContact CE2-CZ3 3.93Å; F189-W279 AromaticContact CZ-CZ3 3.88Å; F189-W279 HydrophobicContact CZ-CZ3 3.88Å; F189-Y280 HydrophobicContact CE1-CD2 4.16Å; F189-Y280 HydrophobicContact CE1-CE2 4.22Å; F189-Y280 HydrophobicContact CZ-CD2 4.06Å; F189-Y280 HydrophobicContact CZ-CE2 4.35Å; F189-Y283 CarbonylContact C-O 3.49Å; F189-Y283 WeakPolarHBondContact CA-O 3.36Å; F189-Y283 HydrophobicContact CD2-CD2 4.14Å; F189-Y283 HydrophobicContact CE2-CD2 4.43Å
190	K	97.9	Very high	98.3	Very high	101 Å²	101	39.4 Å²	39.4	44%	0.439	19%	0.19	S	C	.	.			trans	-106.3	-35.2	-169.9	70	-172	166.7	-165.6	0	119.4	F192 K282 Y283 N284 Y285	K190-F192 PolarHBondContact O-N 3.34Å; K190-F192 VanDerWaalsContact O-N 3.13Å; K190-K282 WeakPolarHBondContact CE-O 3.49Å; K190-Y283 PolarHBondContact N-O 3.23Å; K190-N284 PolarHBondContact NZ-O 3.29Å; K190-Y285 HydrophobicContact CB-CD2 3.99Å
191	P	96.8	Very high	98.2	Very high	60 Å²	60	35.3 Å²	35.3	39%	0.39	17%	0.171	S	C	.	.	S	Bend	trans	-72.7	-17.2	-150.4	25.4	-37.4	0	0	0	117.2	Y197 Y283	P191-Y197 HydrophobicContact CG-CE1 4.2Å; P191-Y283 HydrophobicContact CB-CD1 4.41Å; P191-Y283 HydrophobicContact CB-CE1 4.41Å; P191-Y283 HydrophobicContact CG-CD1 3.58Å; P191-Y283 HydrophobicContact CG-CD2 4.08Å; P191-Y283 HydrophobicContact CG-CE1 3.77Å; P191-Y283 HydrophobicContact CG-CE2 4.24Å; P191-Y283 HydrophobicContact CG-CG 3.75Å
192	F	97.6	Very high	98.2	Very high	71 Å²	71	29 Å²	29	31%	0.311	14%	0.144	S	C	.	.	S	Bend	trans	-120	-20.5	-165.9	-60.6	-61.5	0	0	0	115.2	K190 Y197 H229 F231 V235 Y283	K190-F192 PolarHBondContact O-N 3.34Å; K190-F192 VanDerWaalsContact O-N 3.13Å; F192-Y197 HydrophobicContact CB-CE1 4.13Å; F192-Y197 AromaticContact CD2-CE1 3.83Å; F192-Y197 HydrophobicContact CD2-CE1 3.83Å; F192-Y197 AromaticContact CD2-CZ 3.77Å; F192-Y197 WeakPolarHBondContact CD2-OH 3.5Å; F192-Y197 HydrophobicContact CG-CE1 4.45Å; F192-H229 PolarHBondContact O-CE1 2.78Å; F192-F231 HydrophobicContact CD1-CZ 4.11Å; F192-F231 HydrophobicContact CD2-CZ 4.45Å; F192-F231 HydrophobicContact CE1-CZ 4.15Å; F192-F231 HydrophobicContact CE2-CE2 4.38Å; F192-F231 HydrophobicContact CG-CZ 4.27Å; F192-F231 HydrophobicContact CZ-CE2 4.38Å; F192-F231 HydrophobicContact CZ-CZ 4.35Å; F192-V235 HydrophobicContact CB-CG1 3.35Å; F192-V235 HydrophobicContact CB-CG2 4.35Å; F192-V235 HydrophobicContact CD2-CG1 4.1Å; F192-V235 HydrophobicContact CD2-CG2 3.58Å; F192-V235 HydrophobicContact CE2-CG2 4.24Å; F192-V235 HydrophobicContact CG-CG1 3.94Å; F192-V235 HydrophobicContact CG-CG2 4.26Å; F192-Y283 HydrophobicContact CE2-CE1 4.47Å; F192-Y283 AromaticContact CE2-CE2 3.7Å; F192-Y283 HydrophobicContact CE2-CE2 3.7Å; F192-Y283 AromaticContact CE2-CZ 3.64Å; F192-Y283 WeakPolarHBondContact CE2-OH 3.08Å; F192-Y283 HydrophobicContact CZ-CE2 4.35Å; F192-Y283 AromaticContact CZ-CZ 3.84Å; F192-Y283 VanDerWaalsContact CZ-OH 3.29Å; F192-Y283 WeakPolarHBondContact CZ-OH 3.47Å
193	V	98.1	Very high	98.2	Very high	6 Å²	6	27 Å²	27	4%	0.036	13%	0.131	C	C	.	.	S	Bend	trans	-125.3	136.9	-178.5	-177.4	0	0	0	0	107.1	Q195 G196 Y197 V235 S239 E242	V193-Q195 HydrophobicContact CG1-CG 4.15Å; V193-Q195 PolarHBondContact O-N 3.47Å; V193-G196 WeakPolarHBondContact CB-O 3.42Å; V193-G196 VanDerWaalsContact CG1-O 3.31Å; V193-G196 WeakPolarHBondContact CG1-O 3.49Å; V193-G196 WeakPolarHBondContact O-CA 3.39Å; V193-G196 PolarHBondContact O-N 3.31Å; V193-Y197 HydrophobicContact CB-CD1 4.28Å; V193-Y197 HydrophobicContact CG2-CD1 4.08Å; V193-Y197 HydrophobicContact CG2-CG 4.41Å; V193-V235 HydrophobicContact CG2-CG1 4.2Å; V193-S239 WeakPolarHBondContact CG2-OG 3.31Å; V193-E242 HydrophobicContact CG1-CB 4.07Å
194	K	97.8	Very high	98.2	Very high	203 Å²	203	26.7 Å²	26.7	88%	0.883	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-42.1	-170.1	174.1	-173.3	177.5	-173.9	0	111.9	G196 E242	K194-G196 PolarHBondContact O-N 2.96Å; K194-E242 VanDerWaalsContact CB-OE1 3.32Å; K194-E242 WeakPolarHBondContact CB-OE1 3.49Å; K194-E242 PolarHBondContact N-OE1 2.84Å
195	Q	97.9	Very high	98.2	Very high	41 Å²	41	26.5 Å²	26.5	19%	0.192	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.6	170.7	69	168.2	-27.4	0	0	113.6	R188 V193 E242 V246 I248	R188-Q195 VanDerWaalsContact CZ-O 3.25Å; R188-Q195 PolarHBondContact NE-O 2.95Å; R188-Q195 PolarHBondContact NH2-O 3.43Å; V193-Q195 HydrophobicContact CG1-CG 4.15Å; V193-Q195 PolarHBondContact O-N 3.47Å; Q195-E242 HydrophobicContact CG-CB 4.1Å; Q195-E242 HydrophobicContact CG-CG 4.17Å; Q195-E242 PolarHBondContact N-OE1 3.01Å; Q195-E242 VanDerWaalsContact NE2-CB 3.33Å; Q195-E242 VanDerWaalsContact NE2-N 3.17Å; Q195-V246 PolarHBondContact NE2-O 3.09Å; Q195-V246 VanDerWaalsContact NE2-O 3.1Å; Q195-I248 HydrophobicContact CB-CD1 4.37Å; Q195-I248 HydrophobicContact CG-CD1 3.89Å; Q195-I248 HydrophobicContact CG-CG1 4.45Å; Q195-I248 VanDerWaalsContact O-CD1 3.27Å; Q195-I248 WeakPolarHBondContact O-CD1 3.34Å
196	G	98.4	Very high	98.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	13%	0.129	C	C	.	.			trans	89.6	-177.1	-166.4	0	0	0	0	0	112.6	F189 V193 K194 I248	F189-G196 CarbonylContact O-C 3.57Å; F189-G196 WeakPolarHBondContact O-CA 3.3Å; V193-G196 WeakPolarHBondContact CB-O 3.42Å; V193-G196 VanDerWaalsContact CG1-O 3.31Å; V193-G196 WeakPolarHBondContact CG1-O 3.49Å; V193-G196 WeakPolarHBondContact O-CA 3.39Å; V193-G196 PolarHBondContact O-N 3.31Å; K194-G196 PolarHBondContact O-N 2.96Å; G196-I248 VanDerWaalsContact C-CD1 3.49Å; G196-I248 WeakPolarHBondContact O-CD1 3.49Å
197	Y	98.6	Very high	98.2	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	156.9	-178.4	61.5	-81.1	0	0	0	109.9	F189 P191 F192 V193 D234 V235 Y283	F189-Y197 HydrophobicContact CB-CD1 4.28Å; F189-Y197 HydrophobicContact CB-CD2 4.23Å; F189-Y197 HydrophobicContact CB-CE1 3.76Å; F189-Y197 HydrophobicContact CB-CE2 3.72Å; F189-Y197 HydrophobicContact CB-CG 4.48Å; F189-Y197 VanDerWaalsContact CB-CZ 3.43Å; F189-Y197 AromaticContact CD2-CE2 3.84Å; F189-Y197 HydrophobicContact CD2-CE2 3.84Å; F189-Y197 HydrophobicContact CG-CE2 4.3Å; F189-Y197 PolarHBondContact N-O 3.04Å; F189-Y197 PolarHBondContact O-N 3.26Å; P191-Y197 HydrophobicContact CG-CE1 4.2Å; F192-Y197 HydrophobicContact CB-CE1 4.13Å; F192-Y197 AromaticContact CD2-CE1 3.83Å; F192-Y197 HydrophobicContact CD2-CE1 3.83Å; F192-Y197 AromaticContact CD2-CZ 3.77Å; F192-Y197 WeakPolarHBondContact CD2-OH 3.5Å; F192-Y197 HydrophobicContact CG-CE1 4.45Å; V193-Y197 HydrophobicContact CB-CD1 4.28Å; V193-Y197 HydrophobicContact CG2-CD1 4.08Å; V193-Y197 HydrophobicContact CG2-CG 4.41Å; Y197-D234 HydrophobicContact CD2-CB 4.19Å; Y197-V235 HydrophobicContact CD2-CG2 4.08Å; Y197-V235 HydrophobicContact CE1-CG2 4.32Å; Y197-V235 HydrophobicContact CE2-CG2 3.63Å; Y197-Y283 WeakPolarHBondContact OH-CD2 3.09Å
198	M	98.7	Very high	98.2	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.3	-178.6	-59.5	-54.9	100.2	0	0	110.4	I184 G186 R187 R188 G200 Y204 D234 I248	I184-M198 HydrophobicContact CD1-CB 4.34Å; I184-M198 HydrophobicContact CD1-CG 3.83Å; I184-M198 HydrophobicContact CG1-CG 3.73Å; I184-M198 HydrophobicContact CG2-CG 4.43Å; G186-M198 VanDerWaalsContact CA-SD 3.55Å; G186-M198 PolarHBondContact N-SD 3.15Å; G186-M198 VanDerWaalsContact O-SD 3.36Å; R187-M198 CarbonylContact O-C 3.5Å; R187-M198 WeakPolarHBondContact O-CA 3.42Å; R188-M198 HydrophobicContact CB-CE 3.77Å; R188-M198 HydrophobicContact CG-CE 3.76Å; M198-G200 PolarHBondContact O-N 3.06Å; M198-Y204 HydrophobicContact CB-CD1 4.27Å; M198-Y204 HydrophobicContact CB-CG 4.17Å; M198-D234 VanDerWaalsContact O-CB 3.24Å; M198-D234 WeakPolarHBondContact O-CB 3.05Å; M198-I248 HydrophobicContact CE-CB 4.2Å; M198-I248 HydrophobicContact CE-CD1 3.49Å; M198-I248 VanDerWaalsContact CE-CD1 3.49Å; M198-I248 HydrophobicContact CE-CG1 3.67Å; M198-I248 HydrophobicContact CE-CG2 3.48Å; M198-I248 VanDerWaalsContact CE-CG2 3.48Å
199	S	98.3	Very high	98.2	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.028	13%	0.132	C	C	.	.			trans	-57.4	125.4	177.2	-175.9	0	0	0	0	111.5	R187 F189 G201 G202 G203 P262	R187-S199 PolarHBondContact O-N 3.21Å; F189-S199 VanDerWaalsContact CE2-OG 3.31Å; F189-S199 WeakPolarHBondContact CE2-OG 3.37Å; S199-G201 VanDerWaalsContact C-N 3.35Å; S199-G201 PolarHBondContact O-N 3.5Å; S199-G202 PolarHBondContact O-N 2.91Å; S199-G203 PolarHBondContact O-N 3.24Å; S199-P262 WeakPolarHBondContact OG-CB 3.41Å
200	G	97.7	Very high	98.2	Very high	6 Å²	6	26.5 Å²	26.5	6%	0.062	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-41.7	179.6	0	0	0	0	0	112.9	K158 M198 G203 D234	K158-G200 PolarHBondContact NZ-O 3.3Å; M198-G200 PolarHBondContact O-N 3.06Å; G200-G203 PolarHBondContact O-N 3.07Å; G200-D234 PolarHBondContact N-OD2 2.79Å
201	G	96.6	Very high	98.3	Very high	14 Å²	14	21.7 Å²	21.7	14%	0.144	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-36.5	179.5	0	0	0	0	0	112.9	S199 G203 H303	S199-G201 VanDerWaalsContact C-N 3.35Å; S199-G201 PolarHBondContact O-N 3.5Å; G201-G203 PolarHBondContact O-N 3.45Å; G201-G203 VanDerWaalsContact O-N 3.16Å; G201-H303 WeakPolarHBondContact CA-ND1 3.49Å; G201-H303 WeakPolarHBondContact O-CB 3.04Å
202	G	98.1	Very high	98.4	Very high	1 Å²	1	22 Å²	22	1%	0.01	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.4	173.8	0	0	0	0	0	113.4	S199 S301	S199-G202 PolarHBondContact O-N 2.91Å; G202-S301 WeakPolarHBondContact O-CB 3.22Å; G202-S301 PolarHBondContact O-OG 3.1Å
203	G	98.7	Very high	98.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.01	11%	0.108	C	C	.	.			trans	73	165.9	-166.8	0	0	0	0	0	111.6	K158 S199 G200 G201	K158-G203 VanDerWaalsContact O-CA 3.24Å; K158-G203 WeakPolarHBondContact O-CA 3.47Å; S199-G203 PolarHBondContact O-N 3.24Å; G200-G203 PolarHBondContact O-N 3.07Å; G201-G203 PolarHBondContact O-N 3.45Å; G201-G203 VanDerWaalsContact O-N 3.16Å
204	Y	98.9	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	160.3	-178.3	55.2	-104.7	0	0	0	110.4	W83 M157 K158 I184 M185 M198 E233 L237	W83-Y204 HydrophobicContact CH2-CE2 4.26Å; W83-Y204 AromaticContact CZ2-CE2 3.71Å; W83-Y204 HydrophobicContact CZ2-CE2 3.71Å; M157-Y204 VanDerWaalsContact SD-O 3.37Å; K158-Y204 HydrophobicContact CB-CD1 4.39Å; K158-Y204 HydrophobicContact CB-CD2 3.81Å; K158-Y204 HydrophobicContact CB-CE1 4.06Å; K158-Y204 HydrophobicContact CB-CE2 3.4Å; K158-Y204 VanDerWaalsContact CB-CE2 3.4Å; K158-Y204 HydrophobicContact CB-CG 4.26Å; K158-Y204 HydrophobicContact CD-CD1 4.24Å; K158-Y204 HydrophobicContact CD-CE1 3.66Å; K158-Y204 HydrophobicContact CG-CE1 3.94Å; K158-Y204 HydrophobicContact CG-CE2 3.95Å; K158-Y204 WeakPolarHBondContact CG-OH 3.33Å; K158-Y204 PolarHBondContact N-O 2.99Å; K158-Y204 PolarHBondContact O-N 3.42Å; I184-Y204 HydrophobicContact CD1-CD2 4.12Å; I184-Y204 HydrophobicContact CD1-CG 4.34Å; M185-Y204 CarbonylContact O-C 3.59Å; M185-Y204 WeakPolarHBondContact O-CA 3.27Å; M185-Y204 VanDerWaalsContact O-CB 3.31Å; M185-Y204 WeakPolarHBondContact O-CB 3.49Å; M198-Y204 HydrophobicContact CB-CD1 4.27Å; M198-Y204 HydrophobicContact CB-CG 4.17Å; Y204-E233 PolarHBondContact OH-OE1 2.87Å; Y204-L237 HydrophobicContact CD1-CD2 4.41Å; Y204-L237 HydrophobicContact CD2-CD2 3.82Å; Y204-L237 HydrophobicContact CE1-CD2 3.82Å; Y204-L237 HydrophobicContact CE2-CD2 3.15Å; Y204-L237 HydrophobicContact CG-CD2 4.42Å; Y204-L237 WeakPolarHBondContact OH-CD2 3.25Å
205	V	98.9	Very high	98.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.8	-174.9	-173.3	0	0	0	0	108.9	F156 M157 L170 L174 I184 M185 F260	F156-V205 WeakPolarHBondContact O-CA 3.45Å; M157-V205 HydrophobicContact CB-CG2 4.44Å; M157-V205 HydrophobicContact SD-CG2 3.49Å; M157-V205 WeakPolarHBondContact SD-CG2 3.33Å; L170-V205 HydrophobicContact CD1-CG2 3.54Å; L170-V205 HydrophobicContact CD2-CG2 4.3Å; L174-V205 HydrophobicContact CD1-CG1 4.24Å; L174-V205 HydrophobicContact CD2-CG1 4.08Å; I184-V205 CarbonylContact C-O 3.49Å; I184-V205 VanDerWaalsContact CA-O 3.29Å; I184-V205 WeakPolarHBondContact CA-O 3.43Å; M185-V205 HydrophobicContact CB-CB 4.49Å; M185-V205 PolarHBondContact N-O 3.02Å; M185-V205 PolarHBondContact O-N 3.35Å; V205-F260 HydrophobicContact CG2-CE1 4.05Å; V205-F260 HydrophobicContact CG2-CZ 3.91Å
206	L	98.9	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.8	165.5	-65.6	176.3	0	0	0	109.5	W83 I142 Y155 F156 I184 L211 I214 V246	W83-L206 HydrophobicContact CH2-CD1 3.77Å; W83-L206 HydrophobicContact CH2-CG 4.2Å; I142-L206 HydrophobicContact CD1-CD1 4.46Å; Y155-L206 CarbonylContact C-O 3.26Å; Y155-L206 WeakPolarHBondContact CA-O 3.39Å; F156-L206 PolarHBondContact N-O 2.68Å; F156-L206 PolarHBondContact O-N 3.34Å; I184-L206 HydrophobicContact CB-CD2 3.69Å; I184-L206 HydrophobicContact CD1-CD2 3.88Å; I184-L206 HydrophobicContact CG1-CD2 3.65Å; L206-L211 HydrophobicContact CB-CB 4.29Å; L206-L211 HydrophobicContact CD1-CB 4.33Å; L206-L211 HydrophobicContact CD1-CD1 3.94Å; L206-I214 HydrophobicContact CD1-CD1 3.96Å; L206-I214 HydrophobicContact CD2-CD1 3.71Å; L206-V246 HydrophobicContact CD2-CG1 4.45Å
207	S	98.9	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	157	155.7	53.7	0	0	0	0	111.1	K181 F183 A209 G210 L211	K181-S207 VanDerWaalsContact O-CB 3.24Å; K181-S207 WeakPolarHBondContact O-CB 3.49Å; K181-S207 PolarHBondContact O-OG 3.43Å; F183-S207 PolarHBondContact N-OG 3.16Å; F183-S207 PolarHBondContact O-N 2.84Å; F183-S207 VanDerWaalsContact O-N 3.09Å; F183-S207 PolarHBondContact O-OG 3.14Å; S207-A209 VanDerWaalsContact C-N 3.32Å; S207-A209 PolarHBondContact O-N 3.41Å; S207-G210 PolarHBondContact O-N 3.24Å; S207-G210 VanDerWaalsContact O-N 3.1Å; S207-G210 WeakPolarHBondContact OG-CA 3.07Å; S207-G210 PolarHBondContact OG-N 3.45Å; S207-L211 PolarHBondContact O-N 3.38Å
208	R	98.9	Very high	98.6	Very high	28 Å²	28	14.9 Å²	14.9	11%	0.106	9%	0.087	C	C	.	.	H	α-helix	trans	-51.8	-49.8	170.2	173	175.5	54.4	-116.4	4.5	111.9	A150 Y153 D154 F156 P179 D180 G210 L211 L212	A150-R208 WeakPolarHBondContact O-CD 3.31Å; A150-R208 WeakPolarHBondContact O-CG 3.33Å; Y153-R208 PolarHBondContact O-NH1 3.47Å; D154-R208 PolarHBondContact O-N 3.38Å; D154-R208 IonicContact OD1-CZ 3.66Å; D154-R208 IonicContact OD1-NH1 2.96Å; D154-R208 PolarHBondContact OD1-NH1 2.65Å; F156-R208 HydrophobicContact CE2-CB 4.04Å; P179-R208 HydrophobicContact CB-CB 4.49Å; P179-R208 PolarHBondContact O-N 3.24Å; D180-R208 IonicContact OD1-CZ 2.66Å; D180-R208 VanDerWaalsContact OD1-CZ 3.25Å; D180-R208 IonicContact OD1-NE 3.06Å; D180-R208 PolarHBondContact OD1-NE 3.34Å; D180-R208 IonicContact OD1-NH2 2.73Å; D180-R208 PolarHBondContact OD1-NH2 2.88Å; D180-R208 IonicContact OD2-NH2 3.01Å; D180-R208 PolarHBondContact OD2-NH2 3.11Å; R208-G210 VanDerWaalsContact C-N 3.31Å; R208-G210 PolarHBondContact O-N 3.45Å; R208-L211 PolarHBondContact O-N 3.33Å; R208-L212 HydrophobicContact CG-CD1 4.1Å; R208-L212 WeakPolarHBondContact O-CG 3.28Å; R208-L212 PolarHBondContact O-N 2.76Å
209	A	98.9	Very high	98.5	Very high	14 Å²	14	19.8 Å²	19.8	12%	0.116	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-38.7	176.6	0	0	0	0	0	112.5	P179 D180 P182 S207 L212 N213	P179-A209 PolarHBondContact O-N 2.91Å; D180-A209 VanDerWaalsContact C-CB 3.47Å; D180-A209 VanDerWaalsContact O-CB 3.23Å; D180-A209 WeakPolarHBondContact O-CB 3.35Å; P182-A209 HydrophobicContact CB-CB 4.14Å; S207-A209 VanDerWaalsContact C-N 3.32Å; S207-A209 PolarHBondContact O-N 3.41Å; A209-L212 PolarHBondContact O-N 3Å; A209-N213 WeakPolarHBondContact O-CB 3.38Å; A209-N213 PolarHBondContact O-N 3.18Å; A209-N213 PolarHBondContact O-OD1 2.66Å
210	G	98.9	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.6	-44.3	176.2	0	0	0	0	0	112.8	S207 R208 N213 I214	S207-G210 PolarHBondContact O-N 3.24Å; S207-G210 VanDerWaalsContact O-N 3.1Å; S207-G210 WeakPolarHBondContact OG-CA 3.07Å; S207-G210 PolarHBondContact OG-N 3.45Å; R208-G210 VanDerWaalsContact C-N 3.31Å; R208-G210 PolarHBondContact O-N 3.45Å; G210-N213 PolarHBondContact O-N 3.14Å; G210-I214 WeakPolarHBondContact O-CG1 3.49Å; G210-I214 PolarHBondContact O-N 3.49Å
211	L	98.9	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.1	-48.4	174.5	-178.6	79.3	0	0	0	111.2	W83 I142 I145 A146 A150 F156 L206 S207 R208 I214 A215	W83-L211 HydrophobicContact CH2-CD1 4.38Å; W83-L211 HydrophobicContact CZ3-CD1 4.02Å; I142-L211 HydrophobicContact CB-CD1 4.3Å; I142-L211 HydrophobicContact CG1-CD1 4.12Å; I142-L211 HydrophobicContact CG2-CD1 3.87Å; I145-L211 HydrophobicContact CB-CD2 4.46Å; I145-L211 HydrophobicContact CG2-CD2 3.77Å; A146-L211 HydrophobicContact CB-CD2 4.37Å; A146-L211 HydrophobicContact CB-CG 4.44Å; A150-L211 HydrophobicContact CB-CD2 4.47Å; F156-L211 HydrophobicContact CD1-CD2 3.84Å; F156-L211 HydrophobicContact CD2-CB 4.19Å; F156-L211 HydrophobicContact CD2-CD2 3.81Å; F156-L211 HydrophobicContact CE1-CD2 3.82Å; F156-L211 HydrophobicContact CE2-CD2 3.82Å; F156-L211 HydrophobicContact CG-CD2 3.87Å; F156-L211 HydrophobicContact CZ-CD2 3.84Å; L206-L211 HydrophobicContact CB-CB 4.29Å; L206-L211 HydrophobicContact CD1-CB 4.33Å; L206-L211 HydrophobicContact CD1-CD1 3.94Å; S207-L211 PolarHBondContact O-N 3.38Å; R208-L211 PolarHBondContact O-N 3.33Å; L211-I214 PolarHBondContact O-N 3.29Å; L211-A215 WeakPolarHBondContact O-CB 3.34Å; L211-A215 PolarHBondContact O-N 3.07Å
212	L	98.9	Very high	98.6	Very high	67 Å²	67	31.3 Å²	31.3	35%	0.351	17%	0.171	S	C	.	.	H	α-helix	trans	-63.7	-43	-179.5	-71.6	171.6	0	0	0	112.1	A146 A150 R208 A209 I214 A215 N216	A146-L212 HydrophobicContact CB-CD2 4.44Å; A150-L212 HydrophobicContact CB-CD2 3.69Å; A150-L212 HydrophobicContact CB-CG 4.2Å; R208-L212 HydrophobicContact CG-CD1 4.1Å; R208-L212 WeakPolarHBondContact O-CG 3.28Å; R208-L212 PolarHBondContact O-N 2.76Å; A209-L212 PolarHBondContact O-N 3Å; L212-I214 PolarHBondContact O-N 3.29Å; L212-A215 PolarHBondContact O-N 3.47Å; L212-N216 WeakPolarHBondContact O-CB 3.42Å; L212-N216 PolarHBondContact O-N 3.27Å
213	N	98.8	Very high	98.5	Very high	56 Å²	56	34.1 Å²	34.1	30%	0.299	19%	0.187	S	C	.	.	H	α-helix	trans	-61.3	-45.3	176.6	-79.7	10.7	0	0	0	111.9	P182 A209 G210 G217 T244 V246	P182-N213 WeakPolarHBondContact CB-ND2 3.37Å; A209-N213 WeakPolarHBondContact O-CB 3.38Å; A209-N213 PolarHBondContact O-N 3.18Å; A209-N213 PolarHBondContact O-OD1 2.66Å; G210-N213 PolarHBondContact O-N 3.14Å; N213-G217 PolarHBondContact O-N 2.87Å; N213-T244 PolarHBondContact ND2-O 3.09Å; N213-V246 HydrophobicContact CB-CG2 3.75Å
214	I	98.8	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-44.3	177.7	-69.3	170.6	0	0	0	110.2	I142 L206 G210 L211 L212 N216 G217 L218 L237 A241 V246	I142-I214 HydrophobicContact CD1-CG2 3.94Å; I142-I214 HydrophobicContact CG2-CG2 4.16Å; L206-I214 HydrophobicContact CD1-CD1 3.96Å; L206-I214 HydrophobicContact CD2-CD1 3.71Å; G210-I214 WeakPolarHBondContact O-CG1 3.49Å; G210-I214 PolarHBondContact O-N 3.49Å; L211-I214 PolarHBondContact O-N 3.29Å; L212-I214 PolarHBondContact O-N 3.29Å; I214-N216 PolarHBondContact O-N 2.87Å; I214-G217 CarbonylContact O-C 3.53Å; I214-G217 WeakPolarHBondContact O-CA 3.09Å; I214-G217 PolarHBondContact O-N 3.44Å; I214-L218 HydrophobicContact CG2-CG 4.43Å; I214-L218 WeakPolarHBondContact O-CG 3.42Å; I214-L218 PolarHBondContact O-N 3.47Å; I214-L237 HydrophobicContact CD1-CD1 3.94Å; I214-L237 HydrophobicContact CG2-CD1 4.07Å; I214-A241 HydrophobicContact CD1-CB 4.06Å; I214-V246 HydrophobicContact CD1-CG2 4.25Å; I214-V246 HydrophobicContact CG1-CG2 3.95Å
215	A	98.7	Very high	98.4	Very high	12 Å²	12	42.2 Å²	42.2	10%	0.099	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-47.7	177.5	0	0	0	0	0	112.1	I142 A146 L211 L212 G217 L218	I142-A215 HydrophobicContact CG2-CB 3.93Å; A146-A215 HydrophobicContact CB-CB 3.46Å; A146-A215 VanDerWaalsContact CB-CB 3.46Å; L211-A215 WeakPolarHBondContact O-CB 3.34Å; L211-A215 PolarHBondContact O-N 3.07Å; L212-A215 PolarHBondContact O-N 3.47Å; A215-G217 VanDerWaalsContact C-N 3.32Å; A215-G217 PolarHBondContact O-N 2.9Å; A215-L218 WeakPolarHBondContact O-CB 3.37Å; A215-L218 PolarHBondContact O-N 2.97Å
216	N	98.7	Very high	98.3	Very high	91 Å²	91	44.1 Å²	44.1	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-40.6	172.7	176.9	57.5	0	0	0	111.8	L212 I214 L218 E219 N220	L212-N216 WeakPolarHBondContact O-CB 3.42Å; L212-N216 PolarHBondContact O-N 3.27Å; I214-N216 PolarHBondContact O-N 2.87Å; N216-L218 VanDerWaalsContact C-N 3.34Å; N216-L218 PolarHBondContact O-N 3.04Å; N216-E219 PolarHBondContact O-N 2.7Å; N216-E219 VanDerWaalsContact O-N 3.12Å; N216-N220 WeakPolarHBondContact O-CB 3.38Å; N216-N220 PolarHBondContact O-N 2.69Å; N216-N220 PolarHBondContact OD1-ND2 3.3Å
217	G	98.6	Very high	98	Very high	2 Å²	2	51 Å²	51	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-37.5	175.8	0	0	0	0	0	113.8	N213 I214 A215 E219 N220 N221 C224	N213-G217 PolarHBondContact O-N 2.87Å; I214-G217 CarbonylContact O-C 3.53Å; I214-G217 WeakPolarHBondContact O-CA 3.09Å; I214-G217 PolarHBondContact O-N 3.44Å; A215-G217 VanDerWaalsContact C-N 3.32Å; A215-G217 PolarHBondContact O-N 2.9Å; G217-E219 PolarHBondContact O-N 2.96Å; G217-E219 VanDerWaalsContact O-N 3.09Å; G217-N220 PolarHBondContact O-N 3.4Å; G217-N221 WeakPolarHBondContact O-CA 3.05Å; G217-N221 WeakPolarHBondContact O-CB 3.09Å; G217-N221 PolarHBondContact O-N 3.22Å; G217-C224 VanDerWaalsContact O-CB 3.25Å; G217-C224 WeakPolarHBondContact O-CB 3.26Å
218	L	98.3	Very high	97.8	Very high	15 Å²	15	57.4 Å²	57.4	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-17.9	175.7	-68	172.3	0	0	0	113.1	W135 A139 I142 K143 I214 A215 N216 C224 R225	W135-L218 HydrophobicContact CH2-CD2 3.68Å; W135-L218 HydrophobicContact CZ2-CD2 3.35Å; A139-L218 HydrophobicContact CB-CD1 3.99Å; A139-L218 HydrophobicContact CB-CD2 3.99Å; I142-L218 HydrophobicContact CB-CD1 4.21Å; I142-L218 HydrophobicContact CG2-CD1 3.96Å; K143-L218 HydrophobicContact CG-CD1 3.98Å; I214-L218 HydrophobicContact CG2-CG 4.43Å; I214-L218 WeakPolarHBondContact O-CG 3.42Å; I214-L218 PolarHBondContact O-N 3.47Å; A215-L218 WeakPolarHBondContact O-CB 3.37Å; A215-L218 PolarHBondContact O-N 2.97Å; N216-L218 VanDerWaalsContact C-N 3.34Å; N216-L218 PolarHBondContact O-N 3.04Å; L218-C224 HydrophobicContact CD2-CB 4.48Å; L218-R225 WeakPolarHBondContact O-CG 3.19Å
219	E	97	Very high	97.6	Very high	105 Å²	105	57.7 Å²	57.7	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-103.1	-38.7	177.5	-60.4	-174.9	168.2	0	0	112	N216 G217 R225	N216-E219 PolarHBondContact O-N 2.7Å; N216-E219 VanDerWaalsContact O-N 3.12Å; G217-E219 PolarHBondContact O-N 2.96Å; G217-E219 VanDerWaalsContact O-N 3.09Å; E219-R225 WeakPolarHBondContact O-CD 3.36Å; E219-R225 PolarHBondContact O-NH1 3.22Å
220	N	98	Very high	97.4	Very high	111 Å²	111	59.2 Å²	59.2	59%	0.594	31%	0.306	S	S	*	.	H	α-helix	trans	-116.9	-16	-164.1	-63.2	-42.2	0	0	0	114.7	N216 G217	N216-N220 WeakPolarHBondContact O-CB 3.38Å; N216-N220 PolarHBondContact O-N 2.69Å; N216-N220 PolarHBondContact OD1-ND2 3.3Å; G217-N220 PolarHBondContact O-N 3.4Å
221	N	98.2	Very high	97.1	Very high	40 Å²	40	65.3 Å²	65.3	21%	0.214	33%	0.333	C	S	.	.			trans	-100.2	129.9	-177.5	-173.2	-73.2	0	0	0	112.1	G217 V223 C224 R225 A243 T244	G217-N221 WeakPolarHBondContact O-CA 3.05Å; G217-N221 WeakPolarHBondContact O-CB 3.09Å; G217-N221 PolarHBondContact O-N 3.22Å; N221-V223 PolarHBondContact O-N 3.24Å; N221-V223 WeakPolarHBondContact OD1-CA 3.36Å; N221-V223 WeakPolarHBondContact OD1-CB 3.12Å; N221-V223 PolarHBondContact OD1-N 3.03Å; N221-C224 HydrophobicContact CB-CB 4.19Å; N221-C224 PolarHBondContact O-N 3.17Å; N221-C224 PolarHBondContact OD1-N 2.91Å; N221-R225 WeakPolarHBondContact O-CB 3.32Å; N221-R225 WeakPolarHBondContact O-CG 3.44Å; N221-R225 PolarHBondContact O-N 2.81Å; N221-R225 VanDerWaalsContact O-N 3.09Å; N221-A243 PolarHBondContact ND2-O 3.34Å; N221-T244 HydrophobicContact CB-CG2 4.4Å
222	T	97.9	Very high	96.9	Very high	115 Å²	115	66.5 Å²	66.5	71%	0.706	34%	0.343	S	S	*	.	H	α-helix	trans	-65.6	-35.3	-176.9	53.5	0	0	0	0	113.2	R225 S226	T222-R225 PolarHBondContact O-N 3.17Å; T222-S226 WeakPolarHBondContact O-CB 3.45Å; T222-S226 PolarHBondContact O-N 2.83Å
223	V	97.8	Very high	96.9	Very high	59 Å²	59	63.9 Å²	63.9	36%	0.358	33%	0.329	S	S	.	.	H	α-helix	trans	-67.9	-47.5	178.1	178.2	0	0	0	0	110.3	N221 R225 S226 K236 A243	N221-V223 PolarHBondContact O-N 3.24Å; N221-V223 WeakPolarHBondContact OD1-CA 3.36Å; N221-V223 WeakPolarHBondContact OD1-CB 3.12Å; N221-V223 PolarHBondContact OD1-N 3.03Å; V223-R225 VanDerWaalsContact C-N 3.28Å; V223-R225 PolarHBondContact O-N 2.9Å; V223-S226 PolarHBondContact O-N 3.13Å; V223-S226 PolarHBondContact O-OG 3.46Å; V223-K236 PolarHBondContact O-NZ 2.78Å; V223-A243 HydrophobicContact CB-CB 3.58Å; V223-A243 HydrophobicContact CG1-CB 3.87Å; V223-A243 HydrophobicContact CG2-CB 3.95Å
224	C	97.7	Very high	96.8	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.014	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-40.7	176.7	-64.4	0	0	0	0	111.6	G217 L218 N221 K236 C240	G217-C224 VanDerWaalsContact O-CB 3.25Å; G217-C224 WeakPolarHBondContact O-CB 3.26Å; L218-C224 HydrophobicContact CD2-CB 4.48Å; N221-C224 HydrophobicContact CB-CB 4.19Å; N221-C224 PolarHBondContact O-N 3.17Å; N221-C224 PolarHBondContact OD1-N 2.91Å; C224-K236 WeakPolarHBondContact O-CE 3.24Å; C224-K236 PolarHBondContact O-NZ 3.39Å; C224-C240 HydrophobicContact CB-CB 3.96Å; C224-C240 WeakPolarHBondContact CB-SG 3.38Å; C224-C240 WeakPolarHBondContact SG-CA 3.33Å; C224-C240 WeakPolarHBondContact SG-CB 3.4Å; C224-C240 CovalentContact SG-SG 2.04Å; C224-C240 PolarHBondContact SG-SG 2.98Å
225	R	96.8	Very high	96.8	Very high	169 Å²	169	62.6 Å²	62.6	64%	0.638	32%	0.322	S	S	*	.	H	α-helix	trans	-81	-14.2	-179.9	-69	174.9	60.5	178.5	-3.3	115.4	L218 E219 N221 T222 V223	L218-R225 WeakPolarHBondContact O-CG 3.19Å; E219-R225 WeakPolarHBondContact O-CD 3.36Å; E219-R225 PolarHBondContact O-NH1 3.22Å; N221-R225 WeakPolarHBondContact O-CB 3.32Å; N221-R225 WeakPolarHBondContact O-CG 3.44Å; N221-R225 PolarHBondContact O-N 2.81Å; N221-R225 VanDerWaalsContact O-N 3.09Å; T222-R225 PolarHBondContact O-N 3.17Å; V223-R225 VanDerWaalsContact C-N 3.28Å; V223-R225 PolarHBondContact O-N 2.9Å
226	S	96.2	Very high	96.8	Very high	40 Å²	40	62 Å²	62	28%	0.28	32%	0.317	S	S	.	.	S	Bend	trans	-69.8	158.7	179.5	73.6	0	0	0	0	112.8	T222 V223 K228 K236	T222-S226 WeakPolarHBondContact O-CB 3.45Å; T222-S226 PolarHBondContact O-N 2.83Å; V223-S226 PolarHBondContact O-N 3.13Å; V223-S226 PolarHBondContact O-OG 3.46Å; S226-K228 PolarHBondContact O-N 3.49Å; S226-K228 PolarHBondContact OG-N 3.27Å; S226-K236 PolarHBondContact O-NZ 3.14Å
227	N	94.3	Very high	96.8	Very high	144 Å²	144	57.8 Å²	57.8	77%	0.77	29%	0.294	S	S	*	.	S	Bend	trans	-80.5	1	170.9	-69	-27.9	0	0	0	113.4	H229 T230	N227-H229 PolarHBondContact O-N 3.05Å; N227-T230 PolarHBondContact O-OG1 3.3Å
228	K	93.6	Very high	96.8	Very high	136 Å²	136	57.8 Å²	57.8	59%	0.591	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	137.2	176.4	-173.4	178.3	178.7	-174.4	0	109.4	S226 T230 K236	S226-K228 PolarHBondContact O-N 3.49Å; S226-K228 PolarHBondContact OG-N 3.27Å; K228-T230 VanDerWaalsContact C-N 3.25Å; K228-T230 PolarHBondContact O-N 3.31Å; K228-K236 VanDerWaalsContact O-CD 3.25Å; K228-K236 WeakPolarHBondContact O-CD 3.49Å; K228-K236 PolarHBondContact O-NZ 2.83Å
229	H	94.9	Very high	96.8	Very high	33 Å²	33	57.4 Å²	57.4	15%	0.153	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	9.1	177.3	-58.8	163.4	0	0	0	116.8	F192 N227 F231 A232 V235 K236 S239	F192-H229 PolarHBondContact O-CE1 2.78Å; N227-H229 PolarHBondContact O-N 3.05Å; H229-F231 HydrophobicContact CB-CE1 4.34Å; H229-F231 AromaticContact CD2-CE1 3.93Å; H229-F231 PolarHBondContact O-N 3.26Å; H229-F231 VanDerWaalsContact O-N 3.09Å; H229-A232 PolarHBondContact O-N 3.4Å; H229-A232 VanDerWaalsContact O-O 3.09Å; H229-V235 HydrophobicContact CB-CB 4.44Å; H229-V235 HydrophobicContact CB-CG1 3.75Å; H229-K236 HydrophobicContact CB-CD 4.46Å; H229-K236 WeakPolarHBondContact O-CB 3.44Å; H229-S239 PolarHBondContact ND1-OG 3.25Å
230	T	93.7	Very high	96.9	Very high	47 Å²	47	52.4 Å²	52.4	29%	0.288	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-5.8	179.6	55.6	0	0	0	0	114.7	N227 K228 A232 K236	N227-T230 PolarHBondContact O-OG1 3.3Å; K228-T230 VanDerWaalsContact C-N 3.25Å; K228-T230 PolarHBondContact O-N 3.31Å; T230-A232 PolarHBondContact O-N 2.77Å; T230-K236 HydrophobicContact CG2-CD 4.13Å; T230-K236 HydrophobicContact CG2-CG 4.41Å
231	F	93.4	Very high	96.9	Very high	127 Å²	127	47.1 Å²	47.1	56%	0.557	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.8	175.6	62.5	-100	0	0	0	113.3	F192 H229 V235	F192-F231 HydrophobicContact CD1-CZ 4.11Å; F192-F231 HydrophobicContact CD2-CZ 4.45Å; F192-F231 HydrophobicContact CE1-CZ 4.15Å; F192-F231 HydrophobicContact CE2-CE2 4.38Å; F192-F231 HydrophobicContact CG-CZ 4.27Å; F192-F231 HydrophobicContact CZ-CE2 4.38Å; F192-F231 HydrophobicContact CZ-CZ 4.35Å; H229-F231 HydrophobicContact CB-CE1 4.34Å; H229-F231 AromaticContact CD2-CE1 3.93Å; H229-F231 PolarHBondContact O-N 3.26Å; H229-F231 VanDerWaalsContact O-N 3.09Å; F231-V235 HydrophobicContact CE2-CB 4.5Å; F231-V235 HydrophobicContact CE2-CG2 4.14Å; F231-V235 HydrophobicContact CZ-CB 4.48Å; F231-V235 HydrophobicContact CZ-CG1 4.14Å; F231-V235 HydrophobicContact CZ-CG2 4.42Å
232	A	95.6	Very high	96.9	Very high	25 Å²	25	48.7 Å²	48.7	21%	0.207	25%	0.247	C	C	.	.	S	Bend	trans	-142	127.8	177.8	0	0	0	0	0	109.6	H229 T230 D234 V235 K236	H229-A232 PolarHBondContact O-N 3.4Å; H229-A232 VanDerWaalsContact O-O 3.09Å; T230-A232 PolarHBondContact O-N 2.77Å; A232-D234 WeakPolarHBondContact CB-OD1 3.3Å; A232-D234 PolarHBondContact O-N 3.02Å; A232-V235 HydrophobicContact CB-CB 4.13Å; A232-V235 HydrophobicContact CB-CG2 3.74Å; A232-V235 PolarHBondContact O-N 2.56Å; A232-K236 WeakPolarHBondContact O-CB 3.29Å; A232-K236 PolarHBondContact O-N 3.36Å
233	E	97.3	Very high	97	Very high	13 Å²	13	44.6 Å²	44.6	6%	0.061	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-43.5	-173	176	-83.3	149.4	0	0	112.6	L134 T138 K158 Y204 K236 L237	L134-E233 HydrophobicContact CB-CB 3.84Å; L134-E233 HydrophobicContact CB-CG 4.28Å; T138-E233 WeakPolarHBondContact CB-OE1 3.38Å; T138-E233 HydrophobicContact CG2-CG 4.46Å; T138-E233 WeakPolarHBondContact CG2-OE1 3.31Å; T138-E233 WeakPolarHBondContact OG1-CG 3.39Å; T138-E233 PolarHBondContact OG1-OE1 3.29Å; K158-E233 IonicContact NZ-OE2 3.61Å; Y204-E233 PolarHBondContact OH-OE1 2.87Å; E233-K236 PolarHBondContact O-N 3.16Å; E233-L237 WeakPolarHBondContact O-CB 3.34Å; E233-L237 PolarHBondContact O-N 3.43Å
234	D	98.1	Very high	97	Very high	27 Å²	27	42.5 Å²	42.5	14%	0.144	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-43.1	178.2	52.5	-5.6	0	0	0	113.2	Y197 M198 G200 A232 K236 L237 G238	Y197-D234 HydrophobicContact CD2-CB 4.19Å; M198-D234 VanDerWaalsContact O-CB 3.24Å; M198-D234 WeakPolarHBondContact O-CB 3.05Å; G200-D234 PolarHBondContact N-OD2 2.79Å; A232-D234 WeakPolarHBondContact CB-OD1 3.3Å; A232-D234 PolarHBondContact O-N 3.02Å; D234-K236 VanDerWaalsContact C-N 3.32Å; D234-K236 PolarHBondContact O-N 3.28Å; D234-L237 PolarHBondContact O-N 3.3Å; D234-G238 PolarHBondContact O-N 3.06Å
235	V	98.2	Very high	97.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-43.9	174.7	-175.4	0	0	0	0	110.4	F192 V193 Y197 H229 F231 A232 G238 S239	F192-V235 HydrophobicContact CB-CG1 3.35Å; F192-V235 HydrophobicContact CB-CG2 4.35Å; F192-V235 HydrophobicContact CD2-CG1 4.1Å; F192-V235 HydrophobicContact CD2-CG2 3.58Å; F192-V235 HydrophobicContact CE2-CG2 4.24Å; F192-V235 HydrophobicContact CG-CG1 3.94Å; F192-V235 HydrophobicContact CG-CG2 4.26Å; V193-V235 HydrophobicContact CG2-CG1 4.2Å; Y197-V235 HydrophobicContact CD2-CG2 4.08Å; Y197-V235 HydrophobicContact CE1-CG2 4.32Å; Y197-V235 HydrophobicContact CE2-CG2 3.63Å; H229-V235 HydrophobicContact CB-CB 4.44Å; H229-V235 HydrophobicContact CB-CG1 3.75Å; F231-V235 HydrophobicContact CE2-CB 4.5Å; F231-V235 HydrophobicContact CE2-CG2 4.14Å; F231-V235 HydrophobicContact CZ-CB 4.48Å; F231-V235 HydrophobicContact CZ-CG1 4.14Å; F231-V235 HydrophobicContact CZ-CG2 4.42Å; A232-V235 HydrophobicContact CB-CB 4.13Å; A232-V235 HydrophobicContact CB-CG2 3.74Å; A232-V235 PolarHBondContact O-N 2.56Å; V235-G238 PolarHBondContact O-N 2.82Å; V235-S239 PolarHBondContact O-N 2.7Å; V235-S239 PolarHBondContact O-OG 3.24Å
236	K	98.4	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-44.7	179.2	-177.5	57.1	-176.4	-179.9	0	111.7	W135 V223 C224 S226 K228 H229 T230 A232 E233 D234 S239 C240	W135-K236 HydrophobicContact CB-CG 4.39Å; W135-K236 HydrophobicContact CD2-CB 3.87Å; W135-K236 HydrophobicContact CD2-CD 4.42Å; W135-K236 HydrophobicContact CD2-CG 3.16Å; W135-K236 HydrophobicContact CE3-CB 3.87Å; W135-K236 HydrophobicContact CE3-CG 3.56Å; W135-K236 HydrophobicContact CG-CB 4.14Å; W135-K236 HydrophobicContact CG-CG 3.54Å; W135-K236 HydrophobicContact CH2-CG 4.01Å; W135-K236 HydrophobicContact CZ2-CD 4.33Å; W135-K236 HydrophobicContact CZ2-CG 3.66Å; W135-K236 HydrophobicContact CZ3-CB 4.39Å; W135-K236 HydrophobicContact CZ3-CG 3.97Å; V223-K236 PolarHBondContact O-NZ 2.78Å; C224-K236 WeakPolarHBondContact O-CE 3.24Å; C224-K236 PolarHBondContact O-NZ 3.39Å; S226-K236 PolarHBondContact O-NZ 3.14Å; K228-K236 VanDerWaalsContact O-CD 3.25Å; K228-K236 WeakPolarHBondContact O-CD 3.49Å; K228-K236 PolarHBondContact O-NZ 2.83Å; H229-K236 HydrophobicContact CB-CD 4.46Å; H229-K236 WeakPolarHBondContact O-CB 3.44Å; T230-K236 HydrophobicContact CG2-CD 4.13Å; T230-K236 HydrophobicContact CG2-CG 4.41Å; A232-K236 WeakPolarHBondContact O-CB 3.29Å; A232-K236 PolarHBondContact O-N 3.36Å; E233-K236 PolarHBondContact O-N 3.16Å; D234-K236 VanDerWaalsContact C-N 3.32Å; D234-K236 PolarHBondContact O-N 3.28Å; K236-S239 WeakPolarHBondContact O-CB 3.2Å; K236-S239 PolarHBondContact O-N 3.38Å; K236-C240 PolarHBondContact O-N 2.79Å
237	L	98.7	Very high	97.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-48.7	174.4	-177.7	71.4	0	0	0	111	W135 I142 I184 Y204 I214 E233 D234 S239 C240 A241	W135-L237 HydrophobicContact CH2-CD1 4.48Å; W135-L237 HydrophobicContact CZ3-CB 3.96Å; W135-L237 HydrophobicContact CZ3-CD1 4.06Å; I142-L237 HydrophobicContact CD1-CD1 3.63Å; I184-L237 HydrophobicContact CD1-CD2 3.85Å; I184-L237 HydrophobicContact CD1-CG 4.41Å; Y204-L237 HydrophobicContact CD1-CD2 4.41Å; Y204-L237 HydrophobicContact CD2-CD2 3.82Å; Y204-L237 HydrophobicContact CE1-CD2 3.82Å; Y204-L237 HydrophobicContact CE2-CD2 3.15Å; Y204-L237 HydrophobicContact CG-CD2 4.42Å; Y204-L237 WeakPolarHBondContact OH-CD2 3.25Å; I214-L237 HydrophobicContact CD1-CD1 3.94Å; I214-L237 HydrophobicContact CG2-CD1 4.07Å; E233-L237 WeakPolarHBondContact O-CB 3.34Å; E233-L237 PolarHBondContact O-N 3.43Å; D234-L237 PolarHBondContact O-N 3.3Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 2.91Å; L237-C240 CarbonylContact O-C 3.56Å; L237-C240 PolarHBondContact O-N 2.66Å; L237-A241 WeakPolarHBondContact O-CB 3.46Å; L237-A241 PolarHBondContact O-N 3.36Å
238	G	98.6	Very high	97.5	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-37.1	179	0	0	0	0	0	113.1	D234 V235 A241 E242	D234-G238 PolarHBondContact O-N 3.06Å; V235-G238 PolarHBondContact O-N 2.82Å; G238-A241 PolarHBondContact O-N 3.13Å; G238-E242 PolarHBondContact O-N 2.72Å
239	S	98.6	Very high	97.7	Very high	8 Å²	8	31.9 Å²	31.9	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-39.5	174.8	-52.4	0	0	0	0	112.3	V193 H229 V235 K236 L237 A243	V193-S239 WeakPolarHBondContact CG2-OG 3.31Å; H229-S239 PolarHBondContact ND1-OG 3.25Å; V235-S239 PolarHBondContact O-N 2.7Å; V235-S239 PolarHBondContact O-OG 3.24Å; K236-S239 WeakPolarHBondContact O-CB 3.2Å; K236-S239 PolarHBondContact O-N 3.38Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 2.91Å; S239-A243 WeakPolarHBondContact O-CB 3.37Å; S239-A243 PolarHBondContact O-N 2.86Å
240	C	98.7	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.4	-38.9	175.8	-174.6	0	0	0	0	111.3	W135 C224 K236 L237 A243 T244	W135-C240 HydrophobicContact CH2-CB 4.35Å; C224-C240 HydrophobicContact CB-CB 3.96Å; C224-C240 WeakPolarHBondContact CB-SG 3.38Å; C224-C240 WeakPolarHBondContact SG-CA 3.33Å; C224-C240 WeakPolarHBondContact SG-CB 3.4Å; C224-C240 CovalentContact SG-SG 2.04Å; C224-C240 PolarHBondContact SG-SG 2.98Å; K236-C240 PolarHBondContact O-N 2.79Å; L237-C240 CarbonylContact O-C 3.56Å; L237-C240 PolarHBondContact O-N 2.66Å; C240-A243 PolarHBondContact O-N 2.88Å; C240-T244 WeakPolarHBondContact O-CB 3.49Å; C240-T244 VanDerWaalsContact O-CG2 3.32Å; C240-T244 WeakPolarHBondContact O-CG2 3.33Å; C240-T244 PolarHBondContact O-N 2.86Å; C240-T244 PolarHBondContact O-OG1 3.28Å
241	A	98.8	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.7	-48.1	173	0	0	0	0	0	111.2	I214 L237 G238 A243 T244 N245 V246	I214-A241 HydrophobicContact CD1-CB 4.06Å; L237-A241 WeakPolarHBondContact O-CB 3.46Å; L237-A241 PolarHBondContact O-N 3.36Å; G238-A241 PolarHBondContact O-N 3.13Å; A241-A243 PolarHBondContact O-N 3.37Å; A241-T244 CarbonylContact O-C 3.53Å; A241-T244 PolarHBondContact O-N 3.3Å; A241-T244 PolarHBondContact O-OG1 3.01Å; A241-N245 PolarHBondContact O-N 3.43Å; A241-V246 HydrophobicContact CB-CB 3.91Å; A241-V246 HydrophobicContact CB-CG1 4.26Å; A241-V246 PolarHBondContact O-N 3.11Å
242	E	98.7	Very high	98.2	Very high	72 Å²	72	27.8 Å²	27.8	34%	0.336	16%	0.162	S	C	.	.	H	α-helix	trans	-58.6	-46.5	174.7	-173.5	172.1	-106.5	0	0	112.2	V193 K194 Q195 G238 T244 N245	V193-E242 HydrophobicContact CG1-CB 4.07Å; K194-E242 VanDerWaalsContact CB-OE1 3.32Å; K194-E242 WeakPolarHBondContact CB-OE1 3.49Å; K194-E242 PolarHBondContact N-OE1 2.84Å; Q195-E242 HydrophobicContact CG-CB 4.1Å; Q195-E242 HydrophobicContact CG-CG 4.17Å; Q195-E242 PolarHBondContact N-OE1 3.01Å; Q195-E242 VanDerWaalsContact NE2-CB 3.33Å; Q195-E242 VanDerWaalsContact NE2-N 3.17Å; G238-E242 PolarHBondContact O-N 2.72Å; E242-T244 PolarHBondContact O-N 3.11Å; E242-N245 PolarHBondContact O-N 2.8Å
243	A	98.5	Very high	98.1	Very high	30 Å²	30	27.9 Å²	27.9	25%	0.248	16%	0.159	C	C	.	.	H	α-helix	trans	-70.7	-13.9	-179.2	0	0	0	0	0	114.4	N221 V223 S239 C240 A241	N221-A243 PolarHBondContact ND2-O 3.34Å; V223-A243 HydrophobicContact CB-CB 3.58Å; V223-A243 HydrophobicContact CG1-CB 3.87Å; V223-A243 HydrophobicContact CG2-CB 3.95Å; S239-A243 WeakPolarHBondContact O-CB 3.37Å; S239-A243 PolarHBondContact O-N 2.86Å; C240-A243 PolarHBondContact O-N 2.88Å; A241-A243 PolarHBondContact O-N 3.37Å
244	T	98.7	Very high	97.9	Very high	15 Å²	15	32 Å²	32	9%	0.092	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	17.9	-178.2	56.2	0	0	0	0	112.7	N213 N221 C240 A241 E242 V246	N213-T244 PolarHBondContact ND2-O 3.09Å; N221-T244 HydrophobicContact CB-CG2 4.4Å; C240-T244 WeakPolarHBondContact O-CB 3.49Å; C240-T244 VanDerWaalsContact O-CG2 3.32Å; C240-T244 WeakPolarHBondContact O-CG2 3.33Å; C240-T244 PolarHBondContact O-N 2.86Å; C240-T244 PolarHBondContact O-OG1 3.28Å; A241-T244 CarbonylContact O-C 3.53Å; A241-T244 PolarHBondContact O-N 3.3Å; A241-T244 PolarHBondContact O-OG1 3.01Å; E242-T244 PolarHBondContact O-N 3.11Å; T244-V246 PolarHBondContact O-N 2.78Å
245	N	98.5	Very high	97.6	Very high	130 Å²	130	36 Å²	36	70%	0.695	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	32.8	179.4	-57.8	-44	0	0	0	113.5	A241 E242	A241-N245 PolarHBondContact O-N 3.43Å; E242-N245 PolarHBondContact O-N 2.8Å
246	V	98.9	Very high	97.5	Very high	1 Å²	1	37 Å²	37	1%	0.006	22%	0.224	C	C	.	.			trans	-89.2	108.9	168.1	-178.8	0	0	0	0	107.6	P182 F183 I184 Q195 L206 N213 I214 A241 T244	P182-V246 HydrophobicContact CB-CG2 4.2Å; F183-V246 VanDerWaalsContact C-CG1 3.41Å; I184-V246 HydrophobicContact CB-CG1 4.07Å; I184-V246 HydrophobicContact CG2-CG1 4.28Å; Q195-V246 PolarHBondContact NE2-O 3.09Å; Q195-V246 VanDerWaalsContact NE2-O 3.1Å; L206-V246 HydrophobicContact CD2-CG1 4.45Å; N213-V246 HydrophobicContact CB-CG2 3.75Å; I214-V246 HydrophobicContact CD1-CG2 4.25Å; I214-V246 HydrophobicContact CG1-CG2 3.95Å; A241-V246 HydrophobicContact CB-CB 3.91Å; A241-V246 HydrophobicContact CB-CG1 4.26Å; A241-V246 PolarHBondContact O-N 3.11Å; T244-V246 PolarHBondContact O-N 2.78Å
247	S	98.6	Very high	97.4	Very high	70 Å²	70	38.3 Å²	38.3	49%	0.49	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	151.9	-176.4	-60.8	0	0	0	0	111.9	P182 F183 I184	P182-S247 PolarHBondContact O-N 3.09Å; F183-S247 CarbonylContact C-O 3.51Å; F183-S247 WeakPolarHBondContact CA-O 3.17Å; F183-S247 WeakPolarHBondContact CB-O 3.41Å; I184-S247 PolarHBondContact N-O 3.4Å
248	I	98.7	Very high	97.3	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.128	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.5	171.8	-68.4	172.5	0	0	0	109.8	I184 R188 Q195 G196 M198	I184-I248 HydrophobicContact CG2-CG1 3.79Å; I184-I248 WeakPolarHBondContact O-CA 3.43Å; R188-I248 HydrophobicContact CG-CD1 4.46Å; R188-I248 HydrophobicContact CG-CG2 4.45Å; Q195-I248 HydrophobicContact CB-CD1 4.37Å; Q195-I248 HydrophobicContact CG-CD1 3.89Å; Q195-I248 HydrophobicContact CG-CG1 4.45Å; Q195-I248 VanDerWaalsContact O-CD1 3.27Å; Q195-I248 WeakPolarHBondContact O-CD1 3.34Å; G196-I248 VanDerWaalsContact C-CD1 3.49Å; G196-I248 WeakPolarHBondContact O-CD1 3.49Å; M198-I248 HydrophobicContact CE-CB 4.2Å; M198-I248 HydrophobicContact CE-CD1 3.49Å; M198-I248 VanDerWaalsContact CE-CD1 3.49Å; M198-I248 HydrophobicContact CE-CG1 3.67Å; M198-I248 HydrophobicContact CE-CG2 3.48Å; M198-I248 VanDerWaalsContact CE-CG2 3.48Å
249	V	98.4	Very high	97.3	Very high	41 Å²	41	38.5 Å²	38.5	25%	0.248	23%	0.229	C	C	.	.			trans	-111.9	117.8	165.9	177.7	0	0	0	0	107.4	F183 I184 M185	F183-V249 HydrophobicContact CB-CB 4.43Å; F183-V249 HydrophobicContact CB-CG2 3.62Å; F183-V249 HydrophobicContact CD2-CB 4.22Å; F183-V249 HydrophobicContact CD2-CG2 4.19Å; F183-V249 HydrophobicContact CG-CB 4.48Å; F183-V249 HydrophobicContact CG-CG2 3.94Å; I184-V249 PolarHBondContact O-N 2.8Å; M185-V249 HydrophobicContact CE-CB 4.06Å; M185-V249 HydrophobicContact CE-CG1 3.53Å
250	D	97.8	Very high	97.3	Very high	63 Å²	63	38.1 Å²	38.1	34%	0.337	23%	0.226	S	C	.	.			trans	-65.8	138.2	179	-71.7	-49.9	0	0	0	110.6	R188 H286	R188-D250 WeakPolarHBondContact CD-OD1 3.34Å; R188-D250 IonicContact NH1-OD1 3.91Å; R188-D250 IonicContact NH1-OD2 3.15Å; R188-D250 PolarHBondContact NH1-OD2 3.47Å; D250-H286 IonicContact OD1-CD2 3.66Å; D250-H286 IonicContact OD1-CE1 3.21Å; D250-H286 PolarHBondContact OD1-CE1 3.41Å; D250-H286 IonicContact OD1-NE2 2.86Å; D250-H286 PolarHBondContact OD1-NE2 3.45Å; D250-H286 IonicContact OD2-CE1 3.64Å; D250-H286 IonicContact OD2-NE2 2.83Å
251	S	96.6	Very high	97.3	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.035	23%	0.226	C	C	.	.			trans	-102.9	28.1	-178.1	58.7	0	0	0	0	113.3	G186 C259 F260	G186-S251 PolarHBondContact O-OG 2.96Å; S251-C259 WeakPolarHBondContact O-CB 3.3Å; S251-C259 PolarHBondContact O-SG 3.29Å; S251-F260 VanDerWaalsContact OG-CD2 3.26Å; S251-F260 WeakPolarHBondContact OG-CD2 3.48Å
252	L	96.9	Very high	97.2	Very high	54 Å²	54	38.3 Å²	38.3	28%	0.283	23%	0.227	S	C	.	.			trans	-71.7	147.8	178.2	-57.7	179.3	0	0	0	109.9	R257 E258	L252-R257 VanDerWaalsContact CA-O 3.31Å; L252-R257 WeakPolarHBondContact CA-O 3.44Å; L252-E258 HydrophobicContact CD2-CG 3.89Å
253	D	94.1	Very high	97.1	Very high	26 Å²	26	35.3 Å²	35.3	14%	0.139	21%	0.213	C	C	.	.			trans	-77	-176.3	170	71.6	11.4	0	0	0	112.5	E255 G256 R257 S296	D253-E255 PolarHBondContact O-N 3.01Å; D253-E255 PolarHBondContact OD1-N 3.34Å; D253-G256 PolarHBondContact O-N 3.5Å; D253-G256 PolarHBondContact OD1-N 3.21Å; D253-G256 VanDerWaalsContact OD1-N 3.1Å; D253-R257 PolarHBondContact N-O 3.42Å; D253-R257 WeakPolarHBondContact OD1-CB 3.35Å; D253-R257 PolarHBondContact OD1-N 2.95Å; D253-R257 IonicContact OD1-NE 2.96Å; D253-R257 WeakPolarHBondContact OD2-CB 3.24Å; D253-R257 IonicContact OD2-CZ 3.65Å; D253-R257 VanDerWaalsContact OD2-CZ 3.3Å; D253-R257 IonicContact OD2-NE 3.33Å; D253-R257 PolarHBondContact OD2-NE 3.45Å; D253-R257 IonicContact OD2-NH2 3.56Å; D253-R257 PolarHBondContact OD2-NH2 3.43Å; D253-S296 WeakPolarHBondContact CB-OG 3.27Å; D253-S296 WeakPolarHBondContact OD2-CA 3.1Å; D253-S296 WeakPolarHBondContact OD2-CB 3.44Å; D253-S296 PolarHBondContact OD2-OG 3.39Å
254	A	92.3	Very high	97.1	Very high	100 Å²	100	34.5 Å²	34.5	83%	0.826	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.7	-176.7	0	0	0	0	0	113.3	G256	A254-G256 VanDerWaalsContact C-N 3.35Å
255	E	93.5	Very high	96.9	Very high	112 Å²	112	34.9 Å²	34.9	52%	0.523	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.5	176.3	-61.8	74.4	-144.7	0	0	112.7	D253 R257 R287	D253-E255 PolarHBondContact O-N 3.01Å; D253-E255 PolarHBondContact OD1-N 3.34Å; E255-R257 HydrophobicContact CB-CG 4.19Å; E255-R257 IonicContact OE2-CZ 3.64Å; E255-R257 IonicContact OE2-NE 2.59Å; E255-R257 IonicContact OE2-NH2 3.93Å; E255-R257 PolarHBondContact OE2-NH2 2.9Å; E255-R287 PolarHBondContact O-NH2 3.16Å
256	G	95.2	Very high	96.7	Very high	22 Å²	22	31.4 Å²	31.4	23%	0.227	20%	0.195	C	C	.	.	S	Bend	trans	81.5	17.1	-177.7	0	0	0	0	0	113.9	D253 A254	D253-G256 PolarHBondContact O-N 3.5Å; D253-G256 PolarHBondContact OD1-N 3.21Å; D253-G256 VanDerWaalsContact OD1-N 3.1Å; A254-G256 VanDerWaalsContact C-N 3.35Å
257	R	96.5	Very high	96.5	Very high	27 Å²	27	33.6 Å²	33.6	10%	0.102	21%	0.205	C	C	.	.			trans	-84.3	148.1	179.4	-55.3	173.9	-72.4	178.7	-5.9	110.6	L252 D253 E255 D297	L252-R257 VanDerWaalsContact CA-O 3.31Å; L252-R257 WeakPolarHBondContact CA-O 3.44Å; D253-R257 PolarHBondContact N-O 3.42Å; D253-R257 WeakPolarHBondContact OD1-CB 3.35Å; D253-R257 PolarHBondContact OD1-N 2.95Å; D253-R257 IonicContact OD1-NE 2.96Å; D253-R257 WeakPolarHBondContact OD2-CB 3.24Å; D253-R257 IonicContact OD2-CZ 3.65Å; D253-R257 VanDerWaalsContact OD2-CZ 3.3Å; D253-R257 IonicContact OD2-NE 3.33Å; D253-R257 PolarHBondContact OD2-NE 3.45Å; D253-R257 IonicContact OD2-NH2 3.56Å; D253-R257 PolarHBondContact OD2-NH2 3.43Å; E255-R257 HydrophobicContact CB-CG 4.19Å; E255-R257 IonicContact OE2-CZ 3.64Å; E255-R257 IonicContact OE2-NE 2.59Å; E255-R257 IonicContact OE2-NH2 3.93Å; E255-R257 PolarHBondContact OE2-NH2 2.9Å; R257-D297 IonicContact CZ-OD2 2.8Å; R257-D297 IonicContact NH1-OD1 3.92Å; R257-D297 IonicContact NH1-OD2 2.85Å; R257-D297 PolarHBondContact NH1-OD2 3.23Å; R257-D297 IonicContact NH2-OD2 3.75Å; R257-D297 PolarHBondContact NH2-OD2 3.34Å
258	E	97.4	Very high	96.3	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.028	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-75.1	141.1	-177	-68.4	-90.6	-155.4	0	0	111.2	R187 L252 H261 H286 S296	R187-E258 IonicContact CZ-OE1 3.17Å; R187-E258 IonicContact NE-OE1 3.3Å; R187-E258 VanDerWaalsContact NH1-CB 3.31Å; R187-E258 IonicContact NH2-OE1 2.84Å; L252-E258 HydrophobicContact CD2-CG 3.89Å; E258-H261 PolarHBondContact O-CE1 3.41Å; E258-H261 PolarHBondContact O-NE2 3.15Å; E258-H261 VanDerWaalsContact O-NE2 3.15Å; E258-H286 IonicContact OE1-CD2 3.3Å; E258-S296 PolarHBondContact O-N 2.97Å
259	C	98	Very high	96.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	19%	0.193	C	C	.	.	S	Bend	trans	-101.2	-18.9	175.2	-64.9	0	0	0	0	113.4	S251 V300 S301	S251-C259 WeakPolarHBondContact O-CB 3.3Å; S251-C259 PolarHBondContact O-SG 3.29Å; C259-V300 HydrophobicContact CB-CB 4.4Å; C259-V300 HydrophobicContact CB-CG2 4.06Å; C259-V300 WeakPolarHBondContact O-CA 3.45Å; C259-V300 WeakPolarHBondContact O-CB 3.08Å; C259-V300 PolarHBondContact O-N 2.9Å; C259-S301 PolarHBondContact O-N 3.28Å
260	F	98.6	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-115.4	132.1	-178.6	-67.3	-108.3	0	0	0	108.9	M157 L170 I173 M185 R187 V205 S251 V300 S301	M157-F260 HydrophobicContact CE-CD1 4.42Å; M157-F260 HydrophobicContact CE-CE1 3.98Å; M157-F260 HydrophobicContact SD-CE1 4.12Å; L170-F260 HydrophobicContact CD1-CZ 4.17Å; I173-F260 HydrophobicContact CD1-CE2 3.66Å; I173-F260 HydrophobicContact CD1-CZ 4.03Å; M185-F260 HydrophobicContact CG-CE2 4.34Å; R187-F260 HydrophobicContact CB-CB 3.98Å; R187-F260 WeakPolarHBondContact CB-O 3.32Å; R187-F260 WeakPolarHBondContact CD-O 3.2Å; R187-F260 PolarHBondContact NH1-O 3.26Å; V205-F260 HydrophobicContact CG2-CE1 4.05Å; V205-F260 HydrophobicContact CG2-CZ 3.91Å; S251-F260 VanDerWaalsContact OG-CD2 3.26Å; S251-F260 WeakPolarHBondContact OG-CD2 3.48Å; F260-V300 HydrophobicContact CD1-CG1 4.18Å; F260-V300 HydrophobicContact CD2-CB 4.34Å; F260-V300 HydrophobicContact CE1-CB 4.25Å; F260-V300 HydrophobicContact CE1-CG1 3.6Å; F260-V300 HydrophobicContact CE2-CB 4.08Å; F260-V300 HydrophobicContact CE2-CG1 4.18Å; F260-V300 HydrophobicContact CE2-CG2 4.18Å; F260-V300 HydrophobicContact CZ-CB 4.03Å; F260-V300 HydrophobicContact CZ-CG1 3.61Å; F260-V300 HydrophobicContact CZ-CG2 4.32Å; F260-S301 WeakPolarHBondContact CD1-OG 3.34Å
261	H	98.2	Very high	95.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.213	C	C	.	.			trans	-128.9	120.5	-169.5	-56	-73.7	0	0	0	112.1	E258 F263 M268 C295 S301 F302 H303	E258-H261 PolarHBondContact O-CE1 3.41Å; E258-H261 PolarHBondContact O-NE2 3.15Å; E258-H261 VanDerWaalsContact O-NE2 3.15Å; H261-F263 PolarHBondContact O-N 3.01Å; H261-M268 HydrophobicContact CB-CG 4.1Å; H261-M268 HydrophobicContact CB-SD 4.28Å; H261-C295 VanDerWaalsContact CE1-SG 3.51Å; H261-S301 VanDerWaalsContact CB-O 3.31Å; H261-S301 WeakPolarHBondContact CB-O 2.99Å; H261-S301 PolarHBondContact CD2-O 2.99Å; H261-S301 VanDerWaalsContact CD2-O 3.25Å; H261-S301 PolarHBondContact N-O 3.24Å; H261-F302 HydrophobicContact CB-CD1 3.5Å; H261-F302 VanDerWaalsContact CB-CD1 3.5Å; H261-F302 HydrophobicContact CB-CE1 3.84Å; H261-F302 HydrophobicContact CB-CG 4.23Å; H261-F302 AromaticContact CD2-CD1 3.72Å; H261-F302 AromaticContact CD2-CE1 3.26Å; H261-F302 WeakPolarHBondContact CD2-CE1 3.41Å; H261-F302 AromaticContact CD2-CZ 3.47Å; H261-F302 VanDerWaalsContact CD2-CZ 3.47Å; H261-F302 WeakPolarHBondContact CD2-CZ 3.16Å; H261-F302 AromaticContact CG-CD1 3.76Å; H261-F302 AromaticContact CG-CE1 3.54Å; H261-F302 AromaticContact NE2-CE1 3.99Å; H261-F302 AromaticContact NE2-CZ 3.97Å; H261-F302 WeakPolarHBondContact O-CA 3.31Å; H261-H303 PolarHBondContact O-N 3.41Å
262	P	97.4	Very high	94.9	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.026	24%	0.235	C	C	.	.	S	Bend	trans	-80.2	6.1	-179	33.9	-36.6	0	0	0	113.6	R187 F189 S199 Y280 H303 Y304	R187-P262 VanDerWaalsContact CD-CD 3.42Å; F189-P262 HydrophobicContact CZ-CG 4.25Å; S199-P262 WeakPolarHBondContact OG-CB 3.41Å; P262-Y280 HydrophobicContact CG-CD2 4.14Å; P262-Y280 HydrophobicContact CG-CE2 3.62Å; P262-H303 PolarHBondContact O-ND1 3.4Å; P262-Y304 WeakPolarHBondContact O-CE2 3.44Å
263	F	97.1	Very high	93.9	Very high	9 Å²	9	40.9 Å²	40.9	4%	0.039	25%	0.245	C	C	.	.	S	Bend	trans	-133.4	173	177.3	-56.2	-68.5	0	0	0	110.8	H261 H267 M268 Y276 P277 W279 Y280 H303 Y304	H261-F263 PolarHBondContact O-N 3.01Å; F263-H267 HydrophobicContact CB-CB 3.84Å; F263-H267 AromaticContact CD2-CD2 3.98Å; F263-H267 AromaticContact CG-CD2 3.79Å; F263-M268 HydrophobicContact CB-CG 4.31Å; F263-M268 HydrophobicContact CB-SD 4.05Å; F263-M268 HydrophobicContact CD2-SD 3.9Å; F263-M268 HydrophobicContact CG-SD 4.49Å; F263-Y276 HydrophobicContact CD2-CD1 4.34Å; F263-Y276 HydrophobicContact CD2-CE1 4.29Å; F263-Y276 HydrophobicContact CE2-CD1 4.08Å; F263-Y276 HydrophobicContact CE2-CE1 4.46Å; F263-P277 HydrophobicContact CE1-CG 4.42Å; F263-P277 HydrophobicContact CZ-CG 4.08Å; F263-W279 HydrophobicContact CE1-CH2 4.18Å; F263-W279 AromaticContact CE1-CZ2 3.81Å; F263-W279 HydrophobicContact CE1-CZ2 3.81Å; F263-W279 HydrophobicContact CE2-CH2 4.37Å; F263-W279 AromaticContact CZ-CH2 3.61Å; F263-W279 HydrophobicContact CZ-CH2 3.61Å; F263-W279 AromaticContact CZ-CZ2 3.44Å; F263-W279 HydrophobicContact CZ-CZ2 3.44Å; F263-W279 VanDerWaalsContact CZ-CZ2 3.44Å; F263-Y280 HydrophobicContact CD2-CE2 4.36Å; F263-Y280 AromaticContact CE2-CD1 3.98Å; F263-Y280 HydrophobicContact CE2-CD1 3.98Å; F263-Y280 AromaticContact CE2-CD2 3.6Å; F263-Y280 HydrophobicContact CE2-CD2 3.6Å; F263-Y280 HydrophobicContact CE2-CE1 4.13Å; F263-Y280 AromaticContact CE2-CE2 3.81Å; F263-Y280 HydrophobicContact CE2-CE2 3.81Å; F263-Y280 AromaticContact CE2-CG 3.65Å; F263-Y280 HydrophobicContact CE2-CG 3.65Å; F263-Y280 HydrophobicContact CZ-CD2 4.24Å; F263-Y280 HydrophobicContact CZ-CG 4.16Å; F263-H303 CarbonylContact C-O 3.54Å; F263-H303 PolarHBondContact O-N 3.3Å; F263-Y304 HydrophobicContact CD1-CD2 4.05Å; F263-Y304 AromaticContact CD1-CE2 3.78Å; F263-Y304 HydrophobicContact CD1-CE2 3.78Å; F263-Y304 HydrophobicContact CE1-CE2 4.22Å
264	S	96.9	Very high	93.3	Very high	14 Å²	14	46.7 Å²	46.7	10%	0.098	28%	0.276	C	S	.	.			trans	-70.6	157	176.1	66	0	0	0	0	111.1	S266 H267 M268 H303	S264-S266 PolarHBondContact O-N 2.62Å; S264-S266 PolarHBondContact OG-OG 3.02Å; S264-H267 PolarHBondContact O-N 3.09Å; S264-H267 WeakPolarHBondContact OG-CB 3.47Å; S264-H267 PolarHBondContact OG-N 2.7Å; S264-M268 WeakPolarHBondContact O-CG 3.46Å; S264-M268 PolarHBondContact O-N 2.99Å; S264-H303 VanDerWaalsContact CA-O 3.23Å; S264-H303 WeakPolarHBondContact CA-O 3.41Å; S264-H303 PolarHBondContact N-O 3.4Å
265	P	95.5	Very high	93	Very high	22 Å²	22	43.2 Å²	43.2	14%	0.143	25%	0.25	C	S	.	.	H	α-helix	trans	-51.7	-43	172.2	-26.6	32.8	0	0	0	112.6	H267 M268 L269 F302 Y313	P265-H267 VanDerWaalsContact C-N 3.32Å; P265-H267 PolarHBondContact O-N 2.96Å; P265-M268 PolarHBondContact O-N 3.34Å; P265-L269 HydrophobicContact CB-CD1 4.35Å; P265-L269 VanDerWaalsContact O-CB 3.28Å; P265-L269 WeakPolarHBondContact O-CB 3.35Å; P265-L269 WeakPolarHBondContact O-CD1 3.46Å; P265-L269 WeakPolarHBondContact O-CG 3.36Å; P265-L269 PolarHBondContact O-N 3.27Å; P265-F302 HydrophobicContact CB-CD1 4.26Å; P265-F302 HydrophobicContact CB-CE1 4.2Å; P265-F302 HydrophobicContact CG-CB 4.18Å; P265-F302 HydrophobicContact CG-CD1 3.63Å; P265-F302 HydrophobicContact CG-CD2 4.01Å; P265-F302 HydrophobicContact CG-CE1 3.94Å; P265-F302 HydrophobicContact CG-CE2 4.3Å; P265-F302 HydrophobicContact CG-CG 3.67Å; P265-F302 HydrophobicContact CG-CZ 4.27Å; P265-Y313 VanDerWaalsContact CD-OH 3.29Å; P265-Y313 WeakPolarHBondContact CD-OH 3.4Å; P265-Y313 HydrophobicContact CG-CE2 3.82Å
266	S	94.6	Very high	92.9	Very high	58 Å²	58	38.3 Å²	38.3	41%	0.406	23%	0.227	S	C	.	.	H	α-helix	trans	-59.8	-41.8	178	57.2	0	0	0	0	112.1	S264 T270	S264-S266 PolarHBondContact O-N 2.62Å; S264-S266 PolarHBondContact OG-OG 3.02Å; S266-T270 WeakPolarHBondContact O-CB 3.48Å; S266-T270 VanDerWaalsContact O-CG2 3.31Å; S266-T270 WeakPolarHBondContact O-CG2 3.46Å; S266-T270 PolarHBondContact O-N 2.81Å; S266-T270 VanDerWaalsContact O-N 3.1Å; S266-T270 PolarHBondContact O-OG1 3.44Å
267	H	94	Very high	92.8	Very high	47 Å²	47	39.2 Å²	39.2	22%	0.218	23%	0.229	C	C	.	.	H	α-helix	trans	-68.7	-39.5	176.7	-161.8	107.2	0	0	0	111.9	F263 S264 P265 K271 Y276	F263-H267 HydrophobicContact CB-CB 3.84Å; F263-H267 AromaticContact CD2-CD2 3.98Å; F263-H267 AromaticContact CG-CD2 3.79Å; S264-H267 PolarHBondContact O-N 3.09Å; S264-H267 WeakPolarHBondContact OG-CB 3.47Å; S264-H267 PolarHBondContact OG-N 2.7Å; P265-H267 VanDerWaalsContact C-N 3.32Å; P265-H267 PolarHBondContact O-N 2.96Å; H267-K271 WeakPolarHBondContact O-CB 3.16Å; H267-K271 WeakPolarHBondContact O-CG 3.14Å; H267-Y276 AromaticContact CD2-CD1 3.86Å; H267-Y276 AromaticContact CD2-CE1 3.78Å; H267-Y276 AromaticContact NE2-CD1 3.83Å
268	M	94.6	Very high	92.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-39.7	178.9	-64.2	-62	-53.4	0	0	112.7	H261 F263 S264 P265 Y276 C294 C295 F302	H261-M268 HydrophobicContact CB-CG 4.1Å; H261-M268 HydrophobicContact CB-SD 4.28Å; F263-M268 HydrophobicContact CB-CG 4.31Å; F263-M268 HydrophobicContact CB-SD 4.05Å; F263-M268 HydrophobicContact CD2-SD 3.9Å; F263-M268 HydrophobicContact CG-SD 4.49Å; S264-M268 WeakPolarHBondContact O-CG 3.46Å; S264-M268 PolarHBondContact O-N 2.99Å; P265-M268 PolarHBondContact O-N 3.34Å; M268-Y276 WeakPolarHBondContact CA-OH 3.26Å; M268-Y276 PolarHBondContact O-OH 3.25Å; M268-Y276 VanDerWaalsContact O-OH 3.04Å; M268-Y276 HydrophobicContact SD-CE1 4.2Å; M268-C294 HydrophobicContact CE-CB 4.34Å; M268-C295 VanDerWaalsContact CB-SG 3.57Å; M268-F302 HydrophobicContact CG-CE1 4.42Å
269	L	93.6	Very high	92.6	Very high	70 Å²	70	48.5 Å²	48.5	37%	0.366	27%	0.269	S	S	.	.	H	α-helix	trans	-81.9	-31.7	-174.1	-68.1	167.1	0	0	0	113.5	P265 G291 F292	P265-L269 HydrophobicContact CB-CD1 4.35Å; P265-L269 VanDerWaalsContact O-CB 3.28Å; P265-L269 WeakPolarHBondContact O-CB 3.35Å; P265-L269 WeakPolarHBondContact O-CD1 3.46Å; P265-L269 WeakPolarHBondContact O-CG 3.36Å; P265-L269 PolarHBondContact O-N 3.27Å; L269-G291 WeakPolarHBondContact CD2-O 3.34Å; L269-G291 WeakPolarHBondContact O-CA 3.34Å; L269-F292 HydrophobicContact CD2-CD1 4.18Å
270	T	93	Very high	92.4	Very high	108 Å²	108	48.5 Å²	48.5	66%	0.663	27%	0.269	S	S	*	.	H	α-helix	trans	-102.2	-11.8	-169	65.4	0	0	0	0	114.7	S266	S266-T270 WeakPolarHBondContact O-CB 3.48Å; S266-T270 VanDerWaalsContact O-CG2 3.31Å; S266-T270 WeakPolarHBondContact O-CG2 3.46Å; S266-T270 PolarHBondContact O-N 2.81Å; S266-T270 VanDerWaalsContact O-N 3.1Å; S266-T270 PolarHBondContact O-OG1 3.44Å
271	K	88.8	Confident	92.2	Very high	78 Å²	78	52.2 Å²	52.2	34%	0.339	29%	0.288	S	S	.	.			trans	-85.7	136.9	179	-63.9	-61.8	-177	-179.8	0	110.6	H267 Y276 T290	H267-K271 WeakPolarHBondContact O-CB 3.16Å; H267-K271 WeakPolarHBondContact O-CG 3.14Å; K271-Y276 HydrophobicContact CB-CD1 4.49Å; K271-Y276 HydrophobicContact CB-CE1 4.25Å; K271-Y276 HydrophobicContact CB-CE2 4.29Å; K271-T290 WeakPolarHBondContact O-CB 3.42Å; K271-T290 VanDerWaalsContact O-CG2 3.3Å; K271-T290 WeakPolarHBondContact O-CG2 3.23Å
272	D	85.8	Confident	92	Very high	94 Å²	94	57.6 Å²	57.6	50%	0.503	31%	0.312	S	S	.	.			trans	-77.7	178.2	161.2	68.5	23.1	0	0	0	110.3	N274 G275	D272-N274 PolarHBondContact O-N 3.3Å; D272-N274 VanDerWaalsContact O-N 3.14Å; D272-N274 WeakPolarHBondContact OD1-CA 3.31Å; D272-N274 WeakPolarHBondContact OD1-CB 3.33Å; D272-N274 PolarHBondContact OD1-N 3.48Å; D272-G275 PolarHBondContact O-N 2.79Å; D272-G275 PolarHBondContact OD1-N 2.92Å
273	A	77.4	Confident	92	Very high	60 Å²	60	60.6 Å²	60.6	50%	0.496	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.6	-178.2	0	0	0	0	0	113.6	I281	A273-I281 WeakPolarHBondContact O-CD1 3.49Å
274	N	80	Confident	92	Very high	147 Å²	147	60.3 Å²	60.3	79%	0.786	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-14.4	178.3	-63	-40.3	0	0	0	112.6	D272 Y276	D272-N274 PolarHBondContact O-N 3.3Å; D272-N274 VanDerWaalsContact O-N 3.14Å; D272-N274 WeakPolarHBondContact OD1-CA 3.31Å; D272-N274 WeakPolarHBondContact OD1-CB 3.33Å; D272-N274 PolarHBondContact OD1-N 3.48Å; N274-Y276 VanDerWaalsContact C-N 3.29Å; N274-Y276 PolarHBondContact O-N 3.06Å
275	G	87.4	Confident	92	Very high	27 Å²	27	65 Å²	65	28%	0.278	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.7	-179.3	0	0	0	0	0	114.1	D272	D272-G275 PolarHBondContact O-N 2.79Å; D272-G275 PolarHBondContact OD1-N 2.92Å
276	Y	91.7	Very high	92	Very high	9 Å²	9	65.8 Å²	65.8	4%	0.035	34%	0.34	C	S	.	.	S	Bend	trans	-82.4	147.9	175.7	-69.7	-68.7	0	0	0	112.5	F263 H267 M268 K271 N274 Y280 I288 T290	F263-Y276 HydrophobicContact CD2-CD1 4.34Å; F263-Y276 HydrophobicContact CD2-CE1 4.29Å; F263-Y276 HydrophobicContact CE2-CD1 4.08Å; F263-Y276 HydrophobicContact CE2-CE1 4.46Å; H267-Y276 AromaticContact CD2-CD1 3.86Å; H267-Y276 AromaticContact CD2-CE1 3.78Å; H267-Y276 AromaticContact NE2-CD1 3.83Å; M268-Y276 WeakPolarHBondContact CA-OH 3.26Å; M268-Y276 PolarHBondContact O-OH 3.25Å; M268-Y276 VanDerWaalsContact O-OH 3.04Å; M268-Y276 HydrophobicContact SD-CE1 4.2Å; K271-Y276 HydrophobicContact CB-CD1 4.49Å; K271-Y276 HydrophobicContact CB-CE1 4.25Å; K271-Y276 HydrophobicContact CB-CE2 4.29Å; N274-Y276 VanDerWaalsContact C-N 3.29Å; N274-Y276 PolarHBondContact O-N 3.06Å; Y276-Y280 AromaticContact CD1-CD1 3.71Å; Y276-Y280 HydrophobicContact CD1-CD1 3.71Å; Y276-Y280 AromaticContact CD1-CE1 3.59Å; Y276-Y280 HydrophobicContact CD1-CE1 3.59Å; Y276-Y280 HydrophobicContact CD2-CD1 4.3Å; Y276-Y280 HydrophobicContact CD2-CE1 4.09Å; Y276-Y280 HydrophobicContact CE1-CD1 4.4Å; Y276-Y280 AromaticContact CE1-CE1 3.83Å; Y276-Y280 HydrophobicContact CE1-CE1 3.83Å; Y276-Y280 HydrophobicContact CE2-CE1 4.29Å; Y276-Y280 AromaticContact CG-CD1 3.65Å; Y276-Y280 HydrophobicContact CG-CD1 3.65Å; Y276-Y280 AromaticContact CG-CE1 3.73Å; Y276-Y280 HydrophobicContact CG-CE1 3.73Å; Y276-I288 HydrophobicContact CD2-CG2 3.85Å; Y276-I288 HydrophobicContact CE2-CG2 3.5Å; Y276-I288 VanDerWaalsContact CE2-CG2 3.5Å; Y276-T290 HydrophobicContact CE2-CG2 3.92Å
277	P	93	Very high	91.9	Very high	41 Å²	41	70.4 Å²	70.4	27%	0.266	35%	0.348	S	S	.	.			trans	-56.3	140.7	172.3	-24.3	34.2	0	0	0	112.3	F263 W279 Y280 I281	F263-P277 HydrophobicContact CE1-CG 4.42Å; F263-P277 HydrophobicContact CZ-CG 4.08Å; P277-W279 VanDerWaalsContact CB-CD1 3.45Å; P277-W279 HydrophobicContact CB-CD2 4.47Å; P277-W279 HydrophobicContact CB-CG 4.22Å; P277-W279 PolarHBondContact O-N 2.89Å; P277-W279 VanDerWaalsContact O-N 3.13Å; P277-Y280 WeakPolarHBondContact O-CB 3.47Å; P277-Y280 PolarHBondContact O-N 3.22Å; P277-I281 PolarHBondContact O-N 3.03Å
278	E	94.3	Very high	91.8	Very high	129 Å²	129	70.2 Å²	70.2	60%	0.603	35%	0.348	S	S	*	.	H	α-helix	trans	-54.9	-37.6	-178.1	-172.4	-173	-172.5	0	0	112.9	Y280 I281 K282	E278-Y280 VanDerWaalsContact C-N 3.26Å; E278-Y280 PolarHBondContact O-N 3.36Å; E278-I281 PolarHBondContact O-N 2.99Å; E278-K282 VanDerWaalsContact CD-NZ 3.3Å; E278-K282 HydrophobicContact CG-CD 4.18Å; E278-K282 WeakPolarHBondContact O-CB 2.97Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 3.41Å; E278-K282 WeakPolarHBondContact OE1-CE 3.49Å; E278-K282 IonicContact OE1-NZ 2.81Å; E278-K282 PolarHBondContact OE1-NZ 3.4Å; E278-K282 IonicContact OE2-NZ 3.56Å
279	W	94.5	Very high	91.6	Very high	100 Å²	100	72.2 Å²	72.2	38%	0.379	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-38.3	176.8	68.7	-101.6	0	0	0	111.5	F189 F263 P277 K282 Y283	F189-W279 AromaticContact CE2-CZ3 3.93Å; F189-W279 HydrophobicContact CE2-CZ3 3.93Å; F189-W279 AromaticContact CZ-CZ3 3.88Å; F189-W279 HydrophobicContact CZ-CZ3 3.88Å; F263-W279 HydrophobicContact CE1-CH2 4.18Å; F263-W279 AromaticContact CE1-CZ2 3.81Å; F263-W279 HydrophobicContact CE1-CZ2 3.81Å; F263-W279 HydrophobicContact CE2-CH2 4.37Å; F263-W279 AromaticContact CZ-CH2 3.61Å; F263-W279 HydrophobicContact CZ-CH2 3.61Å; F263-W279 AromaticContact CZ-CZ2 3.44Å; F263-W279 HydrophobicContact CZ-CZ2 3.44Å; F263-W279 VanDerWaalsContact CZ-CZ2 3.44Å; P277-W279 VanDerWaalsContact CB-CD1 3.45Å; P277-W279 HydrophobicContact CB-CD2 4.47Å; P277-W279 HydrophobicContact CB-CG 4.22Å; P277-W279 PolarHBondContact O-N 2.89Å; P277-W279 VanDerWaalsContact O-N 3.13Å; W279-K282 CarbonylContact O-C 3.58Å; W279-K282 PolarHBondContact O-N 2.89Å; W279-Y283 HydrophobicContact CB-CE1 4.37Å; W279-Y283 AromaticContact CE3-CD2 3.93Å; W279-Y283 HydrophobicContact CE3-CD2 3.93Å; W279-Y283 HydrophobicContact CE3-CE2 4.4Å; W279-Y283 HydrophobicContact CE3-CG 4.25Å; W279-Y283 WeakPolarHBondContact O-CB 3.48Å; W279-Y283 WeakPolarHBondContact O-CD1 3.21Å; W279-Y283 PolarHBondContact O-N 3.45Å
280	Y	95	Very high	91.5	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-68	-45.1	-178	174.2	-109.4	0	0	0	110.9	R187 F189 P262 F263 Y276 P277 E278 K282 Y283 N284 I288	R187-Y280 PolarHBondContact NE-OH 3.13Å; R187-Y280 PolarHBondContact NH1-OH 2.71Å; R187-Y280 PolarHBondContact NH2-OH 3.15Å; F189-Y280 HydrophobicContact CE1-CD2 4.16Å; F189-Y280 HydrophobicContact CE1-CE2 4.22Å; F189-Y280 HydrophobicContact CZ-CD2 4.06Å; F189-Y280 HydrophobicContact CZ-CE2 4.35Å; P262-Y280 HydrophobicContact CG-CD2 4.14Å; P262-Y280 HydrophobicContact CG-CE2 3.62Å; F263-Y280 HydrophobicContact CD2-CE2 4.36Å; F263-Y280 AromaticContact CE2-CD1 3.98Å; F263-Y280 HydrophobicContact CE2-CD1 3.98Å; F263-Y280 AromaticContact CE2-CD2 3.6Å; F263-Y280 HydrophobicContact CE2-CD2 3.6Å; F263-Y280 HydrophobicContact CE2-CE1 4.13Å; F263-Y280 AromaticContact CE2-CE2 3.81Å; F263-Y280 HydrophobicContact CE2-CE2 3.81Å; F263-Y280 AromaticContact CE2-CG 3.65Å; F263-Y280 HydrophobicContact CE2-CG 3.65Å; F263-Y280 HydrophobicContact CZ-CD2 4.24Å; F263-Y280 HydrophobicContact CZ-CG 4.16Å; Y276-Y280 AromaticContact CD1-CD1 3.71Å; Y276-Y280 HydrophobicContact CD1-CD1 3.71Å; Y276-Y280 AromaticContact CD1-CE1 3.59Å; Y276-Y280 HydrophobicContact CD1-CE1 3.59Å; Y276-Y280 HydrophobicContact CD2-CD1 4.3Å; Y276-Y280 HydrophobicContact CD2-CE1 4.09Å; Y276-Y280 HydrophobicContact CE1-CD1 4.4Å; Y276-Y280 AromaticContact CE1-CE1 3.83Å; Y276-Y280 HydrophobicContact CE1-CE1 3.83Å; Y276-Y280 HydrophobicContact CE2-CE1 4.29Å; Y276-Y280 AromaticContact CG-CD1 3.65Å; Y276-Y280 HydrophobicContact CG-CD1 3.65Å; Y276-Y280 AromaticContact CG-CE1 3.73Å; Y276-Y280 HydrophobicContact CG-CE1 3.73Å; P277-Y280 WeakPolarHBondContact O-CB 3.47Å; P277-Y280 PolarHBondContact O-N 3.22Å; E278-Y280 VanDerWaalsContact C-N 3.26Å; E278-Y280 PolarHBondContact O-N 3.36Å; Y280-K282 VanDerWaalsContact C-N 3.28Å; Y280-K282 PolarHBondContact O-N 3.31Å; Y280-Y283 PolarHBondContact O-N 2.95Å; Y280-Y283 VanDerWaalsContact O-N 3.11Å; Y280-N284 PolarHBondContact O-N 3.44Å; Y280-I288 HydrophobicContact CD1-CD1 3.73Å; Y280-I288 HydrophobicContact CE1-CD1 3.63Å; Y280-I288 HydrophobicContact CE1-CG1 3.99Å; Y280-I288 HydrophobicContact CE1-CG2 3.95Å
281	I	93.5	Very high	91.4	Very high	78 Å²	78	67.6 Å²	67.6	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-58.3	-43.2	174.7	-57.4	172.2	0	0	0	110.6	A273 P277 E278 I288	A273-I281 WeakPolarHBondContact O-CD1 3.49Å; P277-I281 PolarHBondContact O-N 3.03Å; E278-I281 PolarHBondContact O-N 2.99Å; I281-I288 HydrophobicContact CB-CD1 4.4Å; I281-I288 HydrophobicContact CG1-CD1 4.26Å
282	K	94.9	Very high	91.6	Very high	114 Å²	114	72.5 Å²	72.5	50%	0.496	36%	0.361	S	S	.	.	H	α-helix	trans	-72.9	-24.9	177.8	-72.5	-179.5	-177.6	172.9	0	113.7	K190 E278 W279 Y280	K190-K282 WeakPolarHBondContact CE-O 3.49Å; E278-K282 VanDerWaalsContact CD-NZ 3.3Å; E278-K282 HydrophobicContact CG-CD 4.18Å; E278-K282 WeakPolarHBondContact O-CB 2.97Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 3.41Å; E278-K282 WeakPolarHBondContact OE1-CE 3.49Å; E278-K282 IonicContact OE1-NZ 2.81Å; E278-K282 PolarHBondContact OE1-NZ 3.4Å; E278-K282 IonicContact OE2-NZ 3.56Å; W279-K282 CarbonylContact O-C 3.58Å; W279-K282 PolarHBondContact O-N 2.89Å; Y280-K282 VanDerWaalsContact C-N 3.28Å; Y280-K282 PolarHBondContact O-N 3.31Å
283	Y	97.2	Very high	92	Very high	66 Å²	66	73.1 Å²	73.1	26%	0.259	36%	0.364	S	S	.	.	H	α-helix	trans	-94.4	-32.8	-172.4	-76.4	23.8	0	0	0	111.7	F189 K190 P191 F192 Y197 W279 Y280 Y285	F189-Y283 CarbonylContact C-O 3.49Å; F189-Y283 WeakPolarHBondContact CA-O 3.36Å; F189-Y283 HydrophobicContact CD2-CD2 4.14Å; F189-Y283 HydrophobicContact CE2-CD2 4.43Å; K190-Y283 PolarHBondContact N-O 3.23Å; P191-Y283 HydrophobicContact CB-CD1 4.41Å; P191-Y283 HydrophobicContact CB-CE1 4.41Å; P191-Y283 HydrophobicContact CG-CD1 3.58Å; P191-Y283 HydrophobicContact CG-CD2 4.08Å; P191-Y283 HydrophobicContact CG-CE1 3.77Å; P191-Y283 HydrophobicContact CG-CE2 4.24Å; P191-Y283 HydrophobicContact CG-CG 3.75Å; F192-Y283 HydrophobicContact CE2-CE1 4.47Å; F192-Y283 AromaticContact CE2-CE2 3.7Å; F192-Y283 HydrophobicContact CE2-CE2 3.7Å; F192-Y283 AromaticContact CE2-CZ 3.64Å; F192-Y283 WeakPolarHBondContact CE2-OH 3.08Å; F192-Y283 HydrophobicContact CZ-CE2 4.35Å; F192-Y283 AromaticContact CZ-CZ 3.84Å; F192-Y283 VanDerWaalsContact CZ-OH 3.29Å; F192-Y283 WeakPolarHBondContact CZ-OH 3.47Å; Y197-Y283 WeakPolarHBondContact OH-CD2 3.09Å; W279-Y283 HydrophobicContact CB-CE1 4.37Å; W279-Y283 AromaticContact CE3-CD2 3.93Å; W279-Y283 HydrophobicContact CE3-CD2 3.93Å; W279-Y283 HydrophobicContact CE3-CE2 4.4Å; W279-Y283 HydrophobicContact CE3-CG 4.25Å; W279-Y283 WeakPolarHBondContact O-CB 3.48Å; W279-Y283 WeakPolarHBondContact O-CD1 3.21Å; W279-Y283 PolarHBondContact O-N 3.45Å; Y280-Y283 PolarHBondContact O-N 2.95Å; Y280-Y283 VanDerWaalsContact O-N 3.11Å; Y283-Y285 PolarHBondContact O-N 3.47Å
284	N	96	Very high	92.7	Very high	4 Å²	4	70.4 Å²	70.4	2%	0.021	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-57.7	131.5	-177.4	-144.9	57.2	0	0	0	110.8	R187 K190 Y280 H286 R287 I288	R187-N284 PolarHBondContact NE-OD1 3.12Å; R187-N284 PolarHBondContact NH2-ND2 3.44Å; R187-N284 VanDerWaalsContact NH2-ND2 3.19Å; R187-N284 PolarHBondContact NH2-OD1 3.23Å; R187-N284 VanDerWaalsContact NH2-OD1 3.17Å; K190-N284 PolarHBondContact NZ-O 3.29Å; Y280-N284 PolarHBondContact O-N 3.44Å; N284-H286 PolarHBondContact ND2-O 2.93Å; N284-R287 PolarHBondContact ND2-O 2.81Å; N284-I288 HydrophobicContact CB-CD1 3.86Å; N284-I288 HydrophobicContact CB-CG1 3.83Å
285	Y	97.7	Very high	93.5	Very high	113 Å²	113	64 Å²	64	44%	0.443	31%	0.308	S	S	.	.	S	Bend	trans	-79.6	-47.2	177.5	-172.1	-81.8	0	0	0	110.6	R188 K190 Y283	R188-Y285 HydrophobicContact CB-CG 4.42Å; R188-Y285 HydrophobicContact CG-CD1 4.48Å; R188-Y285 HydrophobicContact CG-CD2 4.1Å; R188-Y285 HydrophobicContact CG-CG 3.86Å; R188-Y285 WeakPolarHBondContact O-CB 3.21Å; R188-Y285 PolarHBondContact O-N 2.94Å; K190-Y285 HydrophobicContact CB-CD2 3.99Å; Y283-Y285 PolarHBondContact O-N 3.47Å
286	H	95.8	Very high	93.9	Very high	37 Å²	37	63 Å²	63	17%	0.171	30%	0.297	C	S	.	.	S	Bend	trans	-86.9	172.3	178.2	-59	-59.6	0	0	0	111.6	D250 E258 N284	D250-H286 IonicContact OD1-CD2 3.66Å; D250-H286 IonicContact OD1-CE1 3.21Å; D250-H286 PolarHBondContact OD1-CE1 3.41Å; D250-H286 IonicContact OD1-NE2 2.86Å; D250-H286 PolarHBondContact OD1-NE2 3.45Å; D250-H286 IonicContact OD2-CE1 3.64Å; D250-H286 IonicContact OD2-NE2 2.83Å; E258-H286 IonicContact OE1-CD2 3.3Å; N284-H286 PolarHBondContact ND2-O 2.93Å
287	R	91.5	Very high	94	Very high	155 Å²	155	68.3 Å²	68.3	59%	0.585	33%	0.326	S	S	*	.			trans	-60.8	149.7	174.3	70.1	177.5	-173.2	-134.2	-8.6	110.6	E255 N284 D289	E255-R287 PolarHBondContact O-NH2 3.16Å; N284-R287 PolarHBondContact ND2-O 2.81Å; R287-D289 WeakPolarHBondContact CD-OD1 3.47Å; R287-D289 IonicContact CZ-OD2 3.99Å; R287-D289 IonicContact NE-OD1 2.82Å; R287-D289 PolarHBondContact NE-OD1 3.07Å; R287-D289 IonicContact NE-OD2 3.26Å; R287-D289 PolarHBondContact NE-OD2 3.23Å; R287-D289 IonicContact NH2-OD2 3.29Å
288	I	92	Very high	94	Very high	43 Å²	43	69.4 Å²	69.4	22%	0.221	33%	0.325	C	S	.	.			trans	-101.2	110.5	173.5	-63.9	166.5	0	0	0	106.8	Y276 Y280 I281 N284	Y276-I288 HydrophobicContact CD2-CG2 3.85Å; Y276-I288 HydrophobicContact CE2-CG2 3.5Å; Y276-I288 VanDerWaalsContact CE2-CG2 3.5Å; Y280-I288 HydrophobicContact CD1-CD1 3.73Å; Y280-I288 HydrophobicContact CE1-CD1 3.63Å; Y280-I288 HydrophobicContact CE1-CG1 3.99Å; Y280-I288 HydrophobicContact CE1-CG2 3.95Å; I281-I288 HydrophobicContact CB-CD1 4.4Å; I281-I288 HydrophobicContact CG1-CD1 4.26Å; N284-I288 HydrophobicContact CB-CD1 3.86Å; N284-I288 HydrophobicContact CB-CG1 3.83Å
289	D	91.6	Very high	94.2	Very high	43 Å²	43	63.6 Å²	63.6	23%	0.23	30%	0.299	C	S	.	.			trans	-90.8	155.9	170.8	-61.9	-41.2	0	0	0	109.4	R287 D293 C294	R287-D289 WeakPolarHBondContact CD-OD1 3.47Å; R287-D289 IonicContact CZ-OD2 3.99Å; R287-D289 IonicContact NE-OD1 2.82Å; R287-D289 PolarHBondContact NE-OD1 3.07Å; R287-D289 IonicContact NE-OD2 3.26Å; R287-D289 PolarHBondContact NE-OD2 3.23Å; R287-D289 IonicContact NH2-OD2 3.29Å; D289-D293 WeakPolarHBondContact CB-O 3.49Å; D289-C294 WeakPolarHBondContact O-CA 3.38Å; D289-C294 WeakPolarHBondContact O-CB 3.44Å
290	T	90.4	Very high	94.4	Very high	55 Å²	55	58.8 Å²	58.8	34%	0.337	28%	0.281	S	S	.	.			trans	-128.7	167.8	-176	57	0	0	0	0	110.9	K271 Y276	K271-T290 WeakPolarHBondContact O-CB 3.42Å; K271-T290 VanDerWaalsContact O-CG2 3.3Å; K271-T290 WeakPolarHBondContact O-CG2 3.23Å; Y276-T290 HydrophobicContact CE2-CG2 3.92Å
291	G	92	Very high	94.6	Very high	26 Å²	26	58.9 Å²	58.9	27%	0.268	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	68.1	-150.4	-179.4	0	0	0	0	0	111.3	L269 D293 C294	L269-G291 WeakPolarHBondContact CD2-O 3.34Å; L269-G291 WeakPolarHBondContact O-CA 3.34Å; G291-D293 PolarHBondContact O-N 3.5Å; G291-C294 WeakPolarHBondContact O-CB 3.4Å; G291-C294 PolarHBondContact O-N 3.4Å; G291-C294 PolarHBondContact O-SG 3.44Å
292	F	92.9	Very high	94.8	Very high	182 Å²	182	56.3 Å²	56.3	80%	0.798	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17.2	180	-67.8	-68	0	0	0	114	L269	L269-F292 HydrophobicContact CD2-CD1 4.18Å
293	D	92.5	Very high	95	Very high	106 Å²	106	51.4 Å²	51.4	57%	0.567	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-88.8	-4.7	177.4	-62.9	-40.8	0	0	0	113.3	D289 G291 C295	D289-D293 WeakPolarHBondContact CB-O 3.49Å; G291-D293 PolarHBondContact O-N 3.5Å; D293-C295 PolarHBondContact O-N 3.16Å
294	C	92.7	Very high	95	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.027	26%	0.257	C	S	.	.	S	Bend	trans	-57	-25.6	-179.1	69.4	0	0	0	0	114.4	M268 D289 G291	M268-C294 HydrophobicContact CE-CB 4.34Å; D289-C294 WeakPolarHBondContact O-CA 3.38Å; D289-C294 WeakPolarHBondContact O-CB 3.44Å; G291-C294 WeakPolarHBondContact O-CB 3.4Å; G291-C294 PolarHBondContact O-N 3.4Å; G291-C294 PolarHBondContact O-SG 3.44Å
295	C	96	Very high	95.1	Very high	12 Å²	12	54 Å²	54	8%	0.081	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-147	137.6	-152.7	-51.7	0	0	0	0	108.8	H261 M268 D293	H261-C295 VanDerWaalsContact CE1-SG 3.51Å; M268-C295 VanDerWaalsContact CB-SG 3.57Å; D293-C295 PolarHBondContact O-N 3.16Å
296	S	96.2	Very high	95.2	Very high	7 Å²	7	54.3 Å²	54.3	5%	0.049	26%	0.26	C	S	.	.			trans	-61.4	145.8	175.4	-171.7	0	0	0	0	110.7	D253 E258 Y298 A299	D253-S296 WeakPolarHBondContact CB-OG 3.27Å; D253-S296 WeakPolarHBondContact OD2-CA 3.1Å; D253-S296 WeakPolarHBondContact OD2-CB 3.44Å; D253-S296 PolarHBondContact OD2-OG 3.39Å; E258-S296 PolarHBondContact O-N 2.97Å; S296-Y298 PolarHBondContact O-N 3.12Å; S296-Y298 PolarHBondContact OG-N 2.95Å; S296-Y298 VanDerWaalsContact OG-N 3.15Å; S296-A299 WeakPolarHBondContact O-CB 3.5Å; S296-A299 PolarHBondContact O-N 3.03Å
297	D	93.5	Very high	95.3	Very high	119 Å²	119	53.9 Å²	53.9	64%	0.636	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20	167.2	-63.2	-53.7	0	0	0	111.8	R257	R257-D297 IonicContact CZ-OD2 2.8Å; R257-D297 IonicContact NH1-OD1 3.92Å; R257-D297 IonicContact NH1-OD2 2.85Å; R257-D297 PolarHBondContact NH1-OD2 3.23Å; R257-D297 IonicContact NH2-OD2 3.75Å; R257-D297 PolarHBondContact NH2-OD2 3.34Å
298	Y	94.4	Very high	95.6	Very high	65 Å²	65	52.1 Å²	52.1	26%	0.255	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	41.1	170.1	-56.2	-84.9	0	0	0	111.8	N169 K172 S296 V300 D331	N169-Y298 WeakPolarHBondContact CB-O 3.37Å; N169-Y298 VanDerWaalsContact ND2-C 3.34Å; N169-Y298 WeakPolarHBondContact ND2-CA 3.41Å; K172-Y298 HydrophobicContact CD-CD1 3.44Å; K172-Y298 VanDerWaalsContact CD-CD1 3.44Å; K172-Y298 HydrophobicContact CD-CD2 4.12Å; K172-Y298 HydrophobicContact CD-CE1 3.77Å; K172-Y298 HydrophobicContact CD-CE2 4.4Å; K172-Y298 HydrophobicContact CD-CG 3.62Å; K172-Y298 VanDerWaalsContact NZ-CD2 3.25Å; S296-Y298 PolarHBondContact O-N 3.12Å; S296-Y298 PolarHBondContact OG-N 2.95Å; S296-Y298 VanDerWaalsContact OG-N 3.15Å; Y298-V300 PolarHBondContact O-N 2.83Å; Y298-D331 PolarHBondContact OH-OD1 2.8Å
299	A	97.9	Very high	95.9	Very high	6 Å²	6	52.1 Å²	52.1	5%	0.05	26%	0.258	C	S	.	.			trans	-52.6	138.3	173.6	0	0	0	0	0	111.2	N169 S296 F302	N169-A299 WeakPolarHBondContact CB-O 3.11Å; N169-A299 PolarHBondContact ND2-O 3.46Å; S296-A299 WeakPolarHBondContact O-CB 3.5Å; S296-A299 PolarHBondContact O-N 3.03Å; A299-F302 HydrophobicContact CB-CE2 3.71Å; A299-F302 HydrophobicContact CB-CZ 3.7Å
300	V	98.7	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.			trans	-93.5	-43.3	-176	168.3	0	0	0	0	111.7	V165 I166 N169 L170 I173 C259 F260 Y298	V165-V300 CarbonylContact C-O 3.57Å; V165-V300 VanDerWaalsContact CA-O 3.3Å; V165-V300 WeakPolarHBondContact CA-O 3.49Å; V165-V300 HydrophobicContact CG1-CG1 4.22Å; I166-V300 PolarHBondContact N-O 3.03Å; N169-V300 HydrophobicContact CB-CG2 4.23Å; L170-V300 HydrophobicContact CB-CG1 3.85Å; L170-V300 HydrophobicContact CB-CG2 4.29Å; L170-V300 HydrophobicContact CD1-CG1 4.1Å; L170-V300 HydrophobicContact CG-CG1 4.41Å; I173-V300 HydrophobicContact CD1-CG2 3.75Å; I173-V300 HydrophobicContact CG1-CG2 4.4Å; C259-V300 HydrophobicContact CB-CB 4.4Å; C259-V300 HydrophobicContact CB-CG2 4.06Å; C259-V300 WeakPolarHBondContact O-CA 3.45Å; C259-V300 WeakPolarHBondContact O-CB 3.08Å; C259-V300 PolarHBondContact O-N 2.9Å; F260-V300 HydrophobicContact CD1-CG1 4.18Å; F260-V300 HydrophobicContact CD2-CB 4.34Å; F260-V300 HydrophobicContact CE1-CB 4.25Å; F260-V300 HydrophobicContact CE1-CG1 3.6Å; F260-V300 HydrophobicContact CE2-CB 4.08Å; F260-V300 HydrophobicContact CE2-CG1 4.18Å; F260-V300 HydrophobicContact CE2-CG2 4.18Å; F260-V300 HydrophobicContact CZ-CB 4.03Å; F260-V300 HydrophobicContact CZ-CG1 3.61Å; F260-V300 HydrophobicContact CZ-CG2 4.32Å; Y298-V300 PolarHBondContact O-N 2.83Å
301	S	98.8	Very high	96.6	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147	-170.5	56.5	0	0	0	0	113.7	Y164 G202 C259 F260 H261	Y164-S301 WeakPolarHBondContact O-CA 3.23Å; G202-S301 WeakPolarHBondContact O-CB 3.22Å; G202-S301 PolarHBondContact O-OG 3.1Å; C259-S301 PolarHBondContact O-N 3.28Å; F260-S301 WeakPolarHBondContact CD1-OG 3.34Å; H261-S301 VanDerWaalsContact CB-O 3.31Å; H261-S301 WeakPolarHBondContact CB-O 2.99Å; H261-S301 PolarHBondContact CD2-O 2.99Å; H261-S301 VanDerWaalsContact CD2-O 3.25Å; H261-S301 PolarHBondContact N-O 3.24Å
302	F	98.7	Very high	96.9	Very high	23 Å²	23	55.6 Å²	55.6	10%	0.101	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.4	171.3	-62.4	-91.3	0	0	0	110.7	S163 Y164 H261 P265 M268 A299 I305	S163-F302 CarbonylContact C-O 3.12Å; S163-F302 VanDerWaalsContact CA-O 3.25Å; S163-F302 WeakPolarHBondContact CA-O 3.43Å; Y164-F302 PolarHBondContact N-O 2.89Å; Y164-F302 PolarHBondContact O-N 3.37Å; H261-F302 HydrophobicContact CB-CD1 3.5Å; H261-F302 VanDerWaalsContact CB-CD1 3.5Å; H261-F302 HydrophobicContact CB-CE1 3.84Å; H261-F302 HydrophobicContact CB-CG 4.23Å; H261-F302 AromaticContact CD2-CD1 3.72Å; H261-F302 AromaticContact CD2-CE1 3.26Å; H261-F302 WeakPolarHBondContact CD2-CE1 3.41Å; H261-F302 AromaticContact CD2-CZ 3.47Å; H261-F302 VanDerWaalsContact CD2-CZ 3.47Å; H261-F302 WeakPolarHBondContact CD2-CZ 3.16Å; H261-F302 AromaticContact CG-CD1 3.76Å; H261-F302 AromaticContact CG-CE1 3.54Å; H261-F302 AromaticContact NE2-CE1 3.99Å; H261-F302 AromaticContact NE2-CZ 3.97Å; H261-F302 WeakPolarHBondContact O-CA 3.31Å; P265-F302 HydrophobicContact CB-CD1 4.26Å; P265-F302 HydrophobicContact CB-CE1 4.2Å; P265-F302 HydrophobicContact CG-CB 4.18Å; P265-F302 HydrophobicContact CG-CD1 3.63Å; P265-F302 HydrophobicContact CG-CD2 4.01Å; P265-F302 HydrophobicContact CG-CE1 3.94Å; P265-F302 HydrophobicContact CG-CE2 4.3Å; P265-F302 HydrophobicContact CG-CG 3.67Å; P265-F302 HydrophobicContact CG-CZ 4.27Å; M268-F302 HydrophobicContact CG-CE1 4.42Å; A299-F302 HydrophobicContact CB-CE2 3.71Å; A299-F302 HydrophobicContact CB-CZ 3.7Å; F302-I305 HydrophobicContact CB-CD1 4Å; F302-I305 HydrophobicContact CB-CG1 4.32Å
303	H	98.4	Very high	97.1	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	168.1	-174.4	-167.4	-140.9	0	0	0	111.9	D160 D162 G201 H261 P262 F263 S264 I305	D160-H303 IonicContact OD2-NE2 3.93Å; D162-H303 CarbonylContact O-C 3.54Å; D162-H303 IonicContact OD1-CD2 3.15Å; D162-H303 PolarHBondContact OD1-CD2 3.28Å; D162-H303 IonicContact OD1-NE2 2.71Å; D162-H303 PolarHBondContact OD1-NE2 2.63Å; D162-H303 VanDerWaalsContact OD1-NE2 3.13Å; G201-H303 WeakPolarHBondContact CA-ND1 3.49Å; G201-H303 WeakPolarHBondContact O-CB 3.04Å; H261-H303 PolarHBondContact O-N 3.41Å; P262-H303 PolarHBondContact O-ND1 3.4Å; F263-H303 CarbonylContact C-O 3.54Å; F263-H303 PolarHBondContact O-N 3.3Å; S264-H303 VanDerWaalsContact CA-O 3.23Å; S264-H303 WeakPolarHBondContact CA-O 3.41Å; S264-H303 PolarHBondContact N-O 3.4Å; H303-I305 VanDerWaalsContact C-N 3.26Å; H303-I305 WeakPolarHBondContact O-CD1 3.39Å; H303-I305 PolarHBondContact O-N 3.35Å
304	Y	97.9	Very high	97.3	Very high	122 Å²	122	44.8 Å²	44.8	48%	0.478	21%	0.208	S	C	.	.	S	Bend	trans	59.1	35.3	-173.1	-55	-55.4	0	0	0	113.5	D162 P262 F263	D162-Y304 PolarHBondContact O-N 2.89Å; P262-Y304 WeakPolarHBondContact O-CE2 3.44Å; F263-Y304 HydrophobicContact CD1-CD2 4.05Å; F263-Y304 AromaticContact CD1-CE2 3.78Å; F263-Y304 HydrophobicContact CD1-CE2 3.78Å; F263-Y304 HydrophobicContact CE1-CE2 4.22Å
305	I	98.5	Very high	97.3	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	23%	0.23	C	C	.	.			trans	-88	119.4	179.7	-50.2	-45.8	0	0	0	108.8	D162 F302 H303 E309 M310 Y313	D162-I305 PolarHBondContact O-N 3.49Å; F302-I305 HydrophobicContact CB-CD1 4Å; F302-I305 HydrophobicContact CB-CG1 4.32Å; H303-I305 VanDerWaalsContact C-N 3.26Å; H303-I305 WeakPolarHBondContact O-CD1 3.39Å; H303-I305 PolarHBondContact O-N 3.35Å; I305-E309 HydrophobicContact CG2-CB 3.67Å; I305-M310 HydrophobicContact CB-CG 4.48Å; I305-M310 HydrophobicContact CG2-CG 3.7Å; I305-Y313 HydrophobicContact CB-CE2 4.47Å; I305-Y313 HydrophobicContact CD1-CE2 3.6Å; I305-Y313 HydrophobicContact CG1-CE2 4Å; I305-Y313 HydrophobicContact CG2-CD2 4Å; I305-Y313 HydrophobicContact CG2-CE2 3.64Å
306	K	98.4	Very high	97.2	Very high	119 Å²	119	55 Å²	55	52%	0.517	25%	0.25	S	S	.	.			trans	-73.2	156.4	175.6	-61	-179	-173.9	173.7	0	111.1	E308 E309 M310	K306-E308 VanDerWaalsContact C-N 3.3Å; K306-E308 HydrophobicContact CB-CG 4.32Å; K306-E308 WeakPolarHBondContact CB-OE2 3.14Å; K306-E308 WeakPolarHBondContact CD-OE1 3.37Å; K306-E308 PolarHBondContact O-N 3.15Å; K306-E309 HydrophobicContact CB-CB 4.49Å; K306-E309 HydrophobicContact CB-CG 4.25Å; K306-E309 PolarHBondContact N-OE2 2.8Å; K306-E309 WeakPolarHBondContact O-CA 2.77Å; K306-E309 WeakPolarHBondContact O-CB 3.41Å; K306-E309 PolarHBondContact O-N 3.17Å; K306-M310 PolarHBondContact O-N 3.5Å
307	P	98.4	Very high	97	Very high	29 Å²	29	58.2 Å²	58.2	19%	0.188	27%	0.267	C	S	.	.	H	α-helix	trans	-45	-49.9	173.6	-34.9	40.4	0	0	0	114.7	S93 H97 E309 M310 Y311	S93-P307 WeakPolarHBondContact O-CG 3.41Å; H97-P307 HydrophobicContact CB-CB 4.26Å; H97-P307 VanDerWaalsContact CD2-CB 3.41Å; H97-P307 WeakPolarHBondContact CD2-CB 3.49Å; P307-E309 VanDerWaalsContact C-N 3.29Å; P307-E309 PolarHBondContact O-N 2.84Å; P307-M310 WeakPolarHBondContact O-CB 3.34Å; P307-M310 PolarHBondContact O-N 2.76Å; P307-M310 VanDerWaalsContact O-N 3.16Å; P307-Y311 WeakPolarHBondContact O-CD2 3.44Å; P307-Y311 PolarHBondContact O-N 3.48Å
308	E	98.1	Very high	96.8	Very high	117 Å²	117	55.5 Å²	55.5	55%	0.547	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-34.1	178.8	61.6	-86.8	-157.6	0	0	112.9	K306 Y311 L312	K306-E308 VanDerWaalsContact C-N 3.3Å; K306-E308 HydrophobicContact CB-CG 4.32Å; K306-E308 WeakPolarHBondContact CB-OE2 3.14Å; K306-E308 WeakPolarHBondContact CD-OE1 3.37Å; K306-E308 PolarHBondContact O-N 3.15Å; E308-Y311 PolarHBondContact O-N 3.47Å; E308-L312 PolarHBondContact O-N 3.15Å
309	E	98.3	Very high	96.5	Very high	43 Å²	43	58 Å²	58	20%	0.201	26%	0.262	C	S	.	.	H	α-helix	trans	-71.8	-32.6	175.7	-66.4	177.1	129.8	0	0	111.4	I305 K306 P307 Y311 L312 Y313	I305-E309 HydrophobicContact CG2-CB 3.67Å; K306-E309 HydrophobicContact CB-CB 4.49Å; K306-E309 HydrophobicContact CB-CG 4.25Å; K306-E309 PolarHBondContact N-OE2 2.8Å; K306-E309 WeakPolarHBondContact O-CA 2.77Å; K306-E309 WeakPolarHBondContact O-CB 3.41Å; K306-E309 PolarHBondContact O-N 3.17Å; P307-E309 VanDerWaalsContact C-N 3.29Å; P307-E309 PolarHBondContact O-N 2.84Å; E309-Y311 VanDerWaalsContact C-N 3.33Å; E309-Y311 PolarHBondContact O-N 3.18Å; E309-L312 WeakPolarHBondContact O-CB 3.49Å; E309-L312 PolarHBondContact O-N 3.1Å; E309-Y313 HydrophobicContact CB-CE1 4.27Å; E309-Y313 WeakPolarHBondContact O-CB 3.16Å; E309-Y313 VanDerWaalsContact O-CD1 3.27Å; E309-Y313 WeakPolarHBondContact O-CD1 3.4Å; E309-Y313 PolarHBondContact O-N 2.83Å
310	M	98.4	Very high	96.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-44.1	174.4	-62.4	-176.8	179.4	0	0	111.4	H97 V98 T101 D161 Y164 I305 K306 P307 Y313 E314	H97-M310 HydrophobicContact CB-SD 3.85Å; V98-M310 HydrophobicContact CG2-CE 3.61Å; V98-M310 HydrophobicContact CG2-SD 3.84Å; T101-M310 HydrophobicContact CG2-CB 4.13Å; D161-M310 WeakPolarHBondContact O-CE 3.06Å; Y164-M310 HydrophobicContact CD2-CB 4.14Å; Y164-M310 HydrophobicContact CD2-CG 4.28Å; Y164-M310 HydrophobicContact CE2-CB 4.48Å; Y164-M310 WeakPolarHBondContact CE2-O 3.42Å; I305-M310 HydrophobicContact CB-CG 4.48Å; I305-M310 HydrophobicContact CG2-CG 3.7Å; K306-M310 PolarHBondContact O-N 3.5Å; P307-M310 WeakPolarHBondContact O-CB 3.34Å; P307-M310 PolarHBondContact O-N 2.76Å; P307-M310 VanDerWaalsContact O-N 3.16Å; M310-Y313 PolarHBondContact O-N 3.17Å; M310-E314 WeakPolarHBondContact O-CB 3.41Å; M310-E314 PolarHBondContact O-N 3.11Å
311	Y	98.3	Very high	95.4	Very high	107 Å²	107	67 Å²	67	42%	0.42	31%	0.305	S	S	.	.	H	α-helix	trans	-69.6	-36.5	175.7	-64.7	-75.7	0	0	0	112.4	H97 A100 T101 P307 E308 E309 Y313 E314 Y315	H97-Y311 HydrophobicContact CB-CE2 4.27Å; H97-Y311 AromaticContact ND1-CE2 3.33Å; H97-Y311 VanDerWaalsContact ND1-CE2 3.33Å; H97-Y311 WeakPolarHBondContact ND1-CE2 3.29Å; H97-Y311 AromaticContact ND1-CZ 3.52Å; H97-Y311 PolarHBondContact ND1-OH 2.95Å; A100-Y311 HydrophobicContact CB-CE1 4.3Å; T101-Y311 HydrophobicContact CG2-CD1 3.95Å; T101-Y311 HydrophobicContact CG2-CE1 4.04Å; T101-Y311 HydrophobicContact CG2-CG 4.48Å; P307-Y311 WeakPolarHBondContact O-CD2 3.44Å; P307-Y311 PolarHBondContact O-N 3.48Å; E308-Y311 PolarHBondContact O-N 3.47Å; E309-Y311 VanDerWaalsContact C-N 3.33Å; E309-Y311 PolarHBondContact O-N 3.18Å; Y311-Y313 VanDerWaalsContact C-N 3.33Å; Y311-E314 WeakPolarHBondContact O-CB 3.16Å; Y311-E314 PolarHBondContact O-N 2.82Å; Y311-Y315 WeakPolarHBondContact O-CB 3.41Å; Y311-Y315 PolarHBondContact O-N 3.35Å
312	L	97.9	Very high	94.8	Very high	91 Å²	91	71 Å²	71	48%	0.476	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-45.1	173.2	178.6	61.6	0	0	0	110.7	E308 E309 Y315 M316	E308-L312 PolarHBondContact O-N 3.15Å; E309-L312 WeakPolarHBondContact O-CB 3.49Å; E309-L312 PolarHBondContact O-N 3.1Å; L312-Y315 PolarHBondContact O-N 2.88Å; L312-M316 HydrophobicContact CD1-CG 3.88Å; L312-M316 HydrophobicContact CD1-SD 4.42Å; L312-M316 HydrophobicContact CG-CG 4.24Å; L312-M316 WeakPolarHBondContact O-CB 3.34Å; L312-M316 WeakPolarHBondContact O-CG 3.38Å; L312-M316 PolarHBondContact O-N 3.13Å
313	Y	96.9	Very high	94.3	Very high	35 Å²	35	79.4 Å²	79.4	14%	0.137	36%	0.363	C	S	.	.	H	α-helix	trans	-68.1	-41.1	179.8	-63.3	-5	0	0	0	111.3	Y164 P265 I305 E309 M310 Y311 Y315 M316 L317	Y164-Y313 HydrophobicContact CD1-CD2 4.42Å; Y164-Y313 HydrophobicContact CD2-CD2 4.3Å; Y164-Y313 HydrophobicContact CG-CD2 4.03Å; P265-Y313 VanDerWaalsContact CD-OH 3.29Å; P265-Y313 WeakPolarHBondContact CD-OH 3.4Å; P265-Y313 HydrophobicContact CG-CE2 3.82Å; I305-Y313 HydrophobicContact CB-CE2 4.47Å; I305-Y313 HydrophobicContact CD1-CE2 3.6Å; I305-Y313 HydrophobicContact CG1-CE2 4Å; I305-Y313 HydrophobicContact CG2-CD2 4Å; I305-Y313 HydrophobicContact CG2-CE2 3.64Å; E309-Y313 HydrophobicContact CB-CE1 4.27Å; E309-Y313 WeakPolarHBondContact O-CB 3.16Å; E309-Y313 VanDerWaalsContact O-CD1 3.27Å; E309-Y313 WeakPolarHBondContact O-CD1 3.4Å; E309-Y313 PolarHBondContact O-N 2.83Å; M310-Y313 PolarHBondContact O-N 3.17Å; Y311-Y313 VanDerWaalsContact C-N 3.33Å; Y313-Y315 VanDerWaalsContact C-N 3.31Å; Y313-Y315 PolarHBondContact O-N 3.19Å; Y313-M316 PolarHBondContact O-N 3.47Å; Y313-L317 WeakPolarHBondContact O-CB 3.41Å; Y313-L317 WeakPolarHBondContact O-CG 3.39Å; Y313-L317 PolarHBondContact O-N 2.91Å
314	E	96.2	Very high	93.6	Very high	26 Å²	26	81.6 Å²	81.6	12%	0.121	39%	0.389	C	S	.	.	H	α-helix	trans	-52.5	-51	170.9	-170.5	69.3	-158.3	0	0	110.9	T101 R105 Y164 M310 Y311 Y318 H319	T101-E314 HydrophobicContact CG2-CB 4.26Å; T101-E314 HydrophobicContact CG2-CG 4.48Å; R105-E314 IonicContact CZ-OE1 3.77Å; R105-E314 VanDerWaalsContact CZ-OE1 3.32Å; R105-E314 IonicContact CZ-OE2 2.62Å; R105-E314 VanDerWaalsContact NH1-CD 3.34Å; R105-E314 IonicContact NH1-OE1 3.62Å; R105-E314 PolarHBondContact NH1-OE1 3.32Å; R105-E314 IonicContact NH1-OE2 3.55Å; R105-E314 PolarHBondContact NH1-OE2 3.38Å; R105-E314 IonicContact NH2-OE1 3.77Å; R105-E314 PolarHBondContact NH2-OE1 3Å; R105-E314 IonicContact NH2-OE2 3.11Å; Y164-E314 PolarHBondContact OH-OE2 3.36Å; M310-E314 WeakPolarHBondContact O-CB 3.41Å; M310-E314 PolarHBondContact O-N 3.11Å; Y311-E314 WeakPolarHBondContact O-CB 3.16Å; Y311-E314 PolarHBondContact O-N 2.82Å; E314-Y318 WeakPolarHBondContact O-CB 3.48Å; E314-Y318 WeakPolarHBondContact O-CD2 3.19Å; E314-Y318 PolarHBondContact O-N 2.93Å; E314-H319 PolarHBondContact O-CD2 3.37Å
315	Y	94.5	Very high	92.7	Very high	125 Å²	125	80.7 Å²	80.7	49%	0.49	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-49.4	178.1	-176.7	-104.2	0	0	0	112.6	Y311 L312 Y313 L317 H319 L320	Y311-Y315 WeakPolarHBondContact O-CB 3.41Å; Y311-Y315 PolarHBondContact O-N 3.35Å; L312-Y315 PolarHBondContact O-N 2.88Å; Y313-Y315 VanDerWaalsContact C-N 3.31Å; Y313-Y315 PolarHBondContact O-N 3.19Å; Y315-L317 VanDerWaalsContact C-N 3.33Å; Y315-L317 PolarHBondContact O-N 2.59Å; Y315-H319 HydrophobicContact CD2-CB 3.61Å; Y315-H319 HydrophobicContact CE2-CB 3.97Å; Y315-H319 HydrophobicContact CG-CB 4.37Å; Y315-H319 CarbonylContact O-C 3.59Å; Y315-H319 WeakPolarHBondContact O-CA 3.48Å; Y315-H319 WeakPolarHBondContact O-CB 3.47Å; Y315-H319 PolarHBondContact O-N 3.42Å; Y315-L320 HydrophobicContact CD1-CB 4.12Å; Y315-L320 HydrophobicContact CE1-CB 3.77Å; Y315-L320 HydrophobicContact CE1-CD1 4.15Å; Y315-L320 HydrophobicContact CE1-CD2 4.2Å; Y315-L320 HydrophobicContact CE1-CG 4.26Å; Y315-L320 PolarHBondContact O-N 3.05Å
316	M	93.9	Very high	91.4	Very high	104 Å²	104	86.5 Å²	86.5	51%	0.512	42%	0.418	S	S	.	.	H	α-helix	trans	-70.4	-27.2	-175.2	-64.3	-65.9	-80.4	0	0	113.3	L312 Y313 L320	L312-M316 HydrophobicContact CD1-CG 3.88Å; L312-M316 HydrophobicContact CD1-SD 4.42Å; L312-M316 HydrophobicContact CG-CG 4.24Å; L312-M316 WeakPolarHBondContact O-CB 3.34Å; L312-M316 WeakPolarHBondContact O-CG 3.38Å; L312-M316 PolarHBondContact O-N 3.13Å; Y313-M316 PolarHBondContact O-N 3.47Å; M316-L320 HydrophobicContact CE-CD2 3.97Å; M316-L320 HydrophobicContact SD-CD2 3.4Å; M316-L320 WeakPolarHBondContact SD-CD2 3.38Å
317	L	91.4	Very high	89.9	Confident	76 Å²	76	90.2 Å²	90.2	40%	0.398	43%	0.429	S	S	.	.	H	α-helix	trans	-92.4	-34.4	-178.1	-67	170.3	0	0	0	113.2	Y164 I166 Y313 Y315	Y164-L317 HydrophobicContact CD1-CD1 4.49Å; Y164-L317 HydrophobicContact CE1-CD1 3.7Å; I166-L317 HydrophobicContact CD1-CD1 3.74Å; I166-L317 HydrophobicContact CD1-CD2 4.22Å; I166-L317 HydrophobicContact CG1-CD1 3.98Å; Y313-L317 WeakPolarHBondContact O-CB 3.41Å; Y313-L317 WeakPolarHBondContact O-CG 3.39Å; Y313-L317 PolarHBondContact O-N 2.91Å; Y315-L317 VanDerWaalsContact C-N 3.33Å; Y315-L317 PolarHBondContact O-N 2.59Å
318	Y	89.9	Confident	88.5	Confident	62 Å²	62	95 Å²	95	24%	0.243	45%	0.453	C	S	.	.	H	α-helix	trans	-123.6	-9.5	-168.1	-58.1	-84.4	0	0	0	114.9	R105 Y164 E168 E314	R105-Y318 PolarHBondContact NE-OH 3.49Å; R105-Y318 VanDerWaalsContact NH2-CD1 3.26Å; R105-Y318 VanDerWaalsContact NH2-CZ 3.35Å; Y164-Y318 WeakPolarHBondContact OH-CE2 3.28Å; E168-Y318 PolarHBondContact OE2-OH 2.8Å; E314-Y318 WeakPolarHBondContact O-CB 3.48Å; E314-Y318 WeakPolarHBondContact O-CD2 3.19Å; E314-Y318 PolarHBondContact O-N 2.93Å
319	H	87.6	Confident	87.1	Confident	118 Å²	118	91.3 Å²	91.3	55%	0.546	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-50.2	-178.5	-62.6	-85.5	0	0	0	112.3	E314 Y315 H321	E314-H319 PolarHBondContact O-CD2 3.37Å; Y315-H319 HydrophobicContact CD2-CB 3.61Å; Y315-H319 HydrophobicContact CE2-CB 3.97Å; Y315-H319 HydrophobicContact CG-CB 4.37Å; Y315-H319 CarbonylContact O-C 3.59Å; Y315-H319 WeakPolarHBondContact O-CA 3.48Å; Y315-H319 WeakPolarHBondContact O-CB 3.47Å; Y315-H319 PolarHBondContact O-N 3.42Å; H319-H321 PolarHBondContact O-N 3.26Å; H319-H321 PolarHBondContact O-ND1 2.96Å
320	L	88.4	Confident	85.8	Confident	74 Å²	74	94.3 Å²	94.3	39%	0.387	45%	0.45	S	S	.	.			trans	-77.7	122.6	-178.5	-175.7	68.9	0	0	0	110.9	Y315 M316	Y315-L320 HydrophobicContact CD1-CB 4.12Å; Y315-L320 HydrophobicContact CE1-CB 3.77Å; Y315-L320 HydrophobicContact CE1-CD1 4.15Å; Y315-L320 HydrophobicContact CE1-CD2 4.2Å; Y315-L320 HydrophobicContact CE1-CG 4.26Å; Y315-L320 PolarHBondContact O-N 3.05Å; M316-L320 HydrophobicContact CE-CD2 3.97Å; M316-L320 HydrophobicContact SD-CD2 3.4Å; M316-L320 WeakPolarHBondContact SD-CD2 3.38Å
321	H	84.2	Confident	84.6	Confident	120 Å²	120	96.2 Å²	96.2	56%	0.556	46%	0.46	S	S	*	.			trans	-136.1	127.2	175.8	-60.5	85.6	0	0	0	109.8	H319 Y323	H319-H321 PolarHBondContact O-N 3.26Å; H319-H321 PolarHBondContact O-ND1 2.96Å; H321-Y323 PolarHBondContact O-N 2.87Å
322	P	86.7	Confident	83.3	Confident	86 Å²	86	92.7 Å²	92.7	56%	0.558	45%	0.448	S	S	*	.			trans	-63.6	130.8	168.9	-19.3	31.9	0	0	0	110.4	G324 I325	P322-G324 PolarHBondContact O-N 2.9Å; P322-I325 HydrophobicContact CB-CD1 3.98Å; P322-I325 HydrophobicContact CB-CG1 4.35Å; P322-I325 HydrophobicContact CG-CD1 4.4Å; P322-I325 PolarHBondContact O-N 2.92Å
323	Y	88.1	Confident	82.1	Confident	200 Å²	200	89.2 Å²	89.2	78%	0.784	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	130.1	178.6	-179.4	-99.2	0	0	0	111.5	H321	H321-Y323 PolarHBondContact O-N 2.87Å
324	G	84.1	Confident	81	Confident	58 Å²	58	90.8 Å²	90.8	60%	0.598	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-0.5	178.5	0	0	0	0	0	115.9	P322	P322-G324 PolarHBondContact O-N 2.9Å
325	I	78.2	Confident	79.9	Confident	103 Å²	103	91 Å²	91	53%	0.528	44%	0.44	S	S	.	.			trans	-108.5	115.9	176.1	-56.4	-176.3	0	0	0	109.4	P322	P322-I325 HydrophobicContact CB-CD1 3.98Å; P322-I325 HydrophobicContact CB-CG1 4.35Å; P322-I325 HydrophobicContact CG-CD1 4.4Å; P322-I325 PolarHBondContact O-N 2.92Å
326	H	71.9	Confident	78.9	Confident	123 Å²	123	87.3 Å²	87.3	57%	0.569	43%	0.429	S	S	*	.			trans	-113.7	118.1	178.1	-61.3	-73.8	0	0	0	110.5
327	R	66.5	Low	78	Confident	198 Å²	198	86.9 Å²	86.9	75%	0.747	43%	0.425	S	S	*	.	S	Bend	trans	-92.4	-45.8	178.3	-67.9	-176.7	176.9	-172.6	-3	112.3	Y329 M330	R327-Y329 VanDerWaalsContact C-N 3.27Å; R327-Y329 PolarHBondContact O-N 2.94Å; R327-Y329 VanDerWaalsContact O-N 3.15Å; R327-M330 PolarHBondContact O-N 3.42Å
328	D	68.1	Low	77.2	Confident	129 Å²	129	88.8 Å²	88.8	69%	0.69	43%	0.433	S	S	*	.	H	α-helix	trans	-61.7	-28.9	-171.3	-57.1	-11	0	0	0	114.9	D331 L332	D328-D331 PolarHBondContact O-N 3.18Å; D328-L332 PolarHBondContact O-N 2.85Å
329	Y	69.5	Low	76.2	Confident	40 Å²	40	89.6 Å²	89.6	16%	0.157	44%	0.441	C	S	.	.	H	α-helix	trans	-65.5	-45.9	-176.7	173	-137.9	0	0	0	112.6	L32 A35 R327 D331 L332 I333	L32-Y329 VanDerWaalsContact CA-OH 3.24Å; L32-Y329 WeakPolarHBondContact CA-OH 3.4Å; L32-Y329 PolarHBondContact O-OH 3.11Å; A35-Y329 HydrophobicContact CB-CD1 4.1Å; A35-Y329 HydrophobicContact CB-CD2 2.95Å; A35-Y329 HydrophobicContact CB-CE1 4.14Å; A35-Y329 HydrophobicContact CB-CE2 3.03Å; A35-Y329 HydrophobicContact CB-CG 3.5Å; A35-Y329 VanDerWaalsContact CB-CG 3.5Å; A35-Y329 WeakPolarHBondContact O-CE1 3.4Å; R327-Y329 VanDerWaalsContact C-N 3.27Å; R327-Y329 PolarHBondContact O-N 2.94Å; R327-Y329 VanDerWaalsContact O-N 3.15Å; Y329-D331 VanDerWaalsContact C-N 3.26Å; Y329-D331 PolarHBondContact O-N 2.96Å; Y329-L332 PolarHBondContact O-N 3.26Å; Y329-I333 HydrophobicContact CD1-CD1 4.01Å; Y329-I333 HydrophobicContact CD2-CD1 3.71Å; Y329-I333 HydrophobicContact CD2-CG1 3.87Å; Y329-I333 HydrophobicContact CE1-CD1 3.58Å; Y329-I333 HydrophobicContact CE2-CD1 3.22Å; Y329-I333 HydrophobicContact CE2-CG1 3.47Å; Y329-I333 VanDerWaalsContact CE2-CG1 3.47Å; Y329-I333 HydrophobicContact CG-CD1 4.12Å; Y329-I333 WeakPolarHBondContact O-CG1 3.31Å; Y329-I333 PolarHBondContact O-N 2.76Å
330	M	70.2	Confident	75	Confident	106 Å²	106	90.2 Å²	90.2	52%	0.522	44%	0.439	S	S	.	.	H	α-helix	trans	-65.4	-36.6	-179.7	-65.6	-59.2	-69.5	0	0	110.7	R327 I333 N334	R327-M330 PolarHBondContact O-N 3.42Å; M330-I333 PolarHBondContact O-N 2.67Å; M330-I333 HydrophobicContact SD-CD1 4.25Å; M330-N334 WeakPolarHBondContact O-CB 3.46Å; M330-N334 PolarHBondContact O-N 3.04Å; M330-N334 PolarHBondContact O-ND2 3.04Å; M330-N334 VanDerWaalsContact O-ND2 3.16Å
331	D	73.4	Confident	72.7	Confident	40 Å²	40	93.4 Å²	93.4	21%	0.214	46%	0.455	C	S	.	.	H	α-helix	trans	-63.8	-42.7	175.4	-71	-24.2	0	0	0	112.1	L70 Y298 D328 Y329 N334 Y335	L70-D331 HydrophobicContact CD2-CB 4.21Å; Y298-D331 PolarHBondContact OH-OD1 2.8Å; D328-D331 PolarHBondContact O-N 3.18Å; Y329-D331 VanDerWaalsContact C-N 3.26Å; Y329-D331 PolarHBondContact O-N 2.96Å; D331-N334 PolarHBondContact O-N 3.19Å; D331-Y335 WeakPolarHBondContact O-CB 3.33Å; D331-Y335 PolarHBondContact O-N 3.36Å
332	L	71.8	Confident	70.3	Confident	32 Å²	32	96.6 Å²	96.6	17%	0.168	49%	0.49	C	S	.	.	H	α-helix	trans	-63.5	-46.2	175.8	-180	63	0	0	0	112	T31 L65 L70 D328 Y329 N334 Y335 L336	T31-L332 HydrophobicContact CG2-CD2 3.64Å; T31-L332 HydrophobicContact CG2-CG 4.15Å; L65-L332 HydrophobicContact CD2-CD2 3.6Å; L70-L332 HydrophobicContact CB-CD1 4.29Å; D328-L332 PolarHBondContact O-N 2.85Å; Y329-L332 PolarHBondContact O-N 3.26Å; L332-N334 VanDerWaalsContact C-N 3.33Å; L332-N334 PolarHBondContact O-N 3.22Å; L332-Y335 PolarHBondContact O-N 2.82Å; L332-L336 HydrophobicContact CD1-CD1 4.29Å; L332-L336 HydrophobicContact CD1-CG 4.26Å; L332-L336 HydrophobicContact CG-CD1 4.23Å; L332-L336 WeakPolarHBondContact O-CG 3.07Å; L332-L336 PolarHBondContact O-N 3.18Å
333	I	72.1	Confident	69.5	Low	19 Å²	19	97.1 Å²	97.1	10%	0.097	49%	0.487	C	S	.	.	H	α-helix	trans	-58.3	-48.6	176.3	-66.8	164.5	0	0	0	110.3	Y28 Y329 M330 Y335 L336 Q337	Y28-I333 HydrophobicContact CE2-CG2 4.42Å; Y329-I333 HydrophobicContact CD1-CD1 4.01Å; Y329-I333 HydrophobicContact CD2-CD1 3.71Å; Y329-I333 HydrophobicContact CD2-CG1 3.87Å; Y329-I333 HydrophobicContact CE1-CD1 3.58Å; Y329-I333 HydrophobicContact CE2-CD1 3.22Å; Y329-I333 HydrophobicContact CE2-CG1 3.47Å; Y329-I333 VanDerWaalsContact CE2-CG1 3.47Å; Y329-I333 HydrophobicContact CG-CD1 4.12Å; Y329-I333 WeakPolarHBondContact O-CG1 3.31Å; Y329-I333 PolarHBondContact O-N 2.76Å; M330-I333 PolarHBondContact O-N 2.67Å; M330-I333 HydrophobicContact SD-CD1 4.25Å; I333-Y335 VanDerWaalsContact C-N 3.34Å; I333-Y335 PolarHBondContact O-N 3.33Å; I333-L336 PolarHBondContact O-N 2.86Å; I333-Q337 HydrophobicContact CG2-CG 4.3Å; I333-Q337 WeakPolarHBondContact O-CB 3.4Å; I333-Q337 WeakPolarHBondContact O-CG 3.49Å; I333-Q337 PolarHBondContact O-N 3.49Å
334	N	73.1	Confident	68.6	Low	68 Å²	68	91.7 Å²	91.7	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-61.5	-42.4	-179	-74.1	-26	0	0	0	111.7	M330 D331 L332 Q337 Q338	M330-N334 WeakPolarHBondContact O-CB 3.46Å; M330-N334 PolarHBondContact O-N 3.04Å; M330-N334 PolarHBondContact O-ND2 3.04Å; M330-N334 VanDerWaalsContact O-ND2 3.16Å; D331-N334 PolarHBondContact O-N 3.19Å; L332-N334 VanDerWaalsContact C-N 3.33Å; L332-N334 PolarHBondContact O-N 3.22Å; N334-Q337 PolarHBondContact O-N 3.37Å; N334-Q338 WeakPolarHBondContact O-CB 3.3Å; N334-Q338 WeakPolarHBondContact O-CG 3.34Å; N334-Q338 PolarHBondContact O-N 3.1Å
335	Y	73.5	Confident	67.7	Low	30 Å²	30	93.6 Å²	93.6	12%	0.118	46%	0.464	C	S	.	.	H	α-helix	trans	-62.5	-46.4	176.4	176.4	-94.6	0	0	0	111.7	L70 L74 Q77 D331 L332 I333 Q337 Q338 N339	L70-Y335 HydrophobicContact CD1-CD1 3.5Å; L70-Y335 VanDerWaalsContact CD1-CD1 3.5Å; L70-Y335 HydrophobicContact CD1-CD2 3.81Å; L70-Y335 HydrophobicContact CD1-CE1 3.88Å; L70-Y335 HydrophobicContact CD1-CE2 4.17Å; L70-Y335 HydrophobicContact CD1-CG 3.45Å; L70-Y335 VanDerWaalsContact CD1-CG 3.45Å; L70-Y335 HydrophobicContact CD2-CG 4.36Å; L74-Y335 HydrophobicContact CD2-CE2 3.91Å; Q77-Y335 PolarHBondContact NE2-OH 3.14Å; Q77-Y335 PolarHBondContact OE1-OH 3.43Å; D331-Y335 WeakPolarHBondContact O-CB 3.33Å; D331-Y335 PolarHBondContact O-N 3.36Å; L332-Y335 PolarHBondContact O-N 2.82Å; I333-Y335 VanDerWaalsContact C-N 3.34Å; I333-Y335 PolarHBondContact O-N 3.33Å; Y335-Q337 VanDerWaalsContact C-N 3.33Å; Y335-Q337 PolarHBondContact O-N 3.24Å; Y335-Q338 PolarHBondContact O-N 2.61Å; Y335-N339 WeakPolarHBondContact CD2-ND2 3.33Å; Y335-N339 VanDerWaalsContact CE2-ND2 3.31Å; Y335-N339 WeakPolarHBondContact CE2-ND2 3.49Å; Y335-N339 PolarHBondContact O-N 3.2Å; Y335-N339 VanDerWaalsContact O-N 3.07Å; Y335-N339 PolarHBondContact O-ND2 2.79Å
336	L	74.9	Confident	67.1	Low	47 Å²	47	93 Å²	93	25%	0.246	46%	0.46	C	S	.	.	H	α-helix	trans	-62.8	-40.1	177.7	-69.2	176.1	0	0	0	111.6	T31 L332 I333 N339 R340	T31-L336 HydrophobicContact CG2-CD1 3.88Å; L332-L336 HydrophobicContact CD1-CD1 4.29Å; L332-L336 HydrophobicContact CD1-CG 4.26Å; L332-L336 HydrophobicContact CG-CD1 4.23Å; L332-L336 WeakPolarHBondContact O-CG 3.07Å; L332-L336 PolarHBondContact O-N 3.18Å; I333-L336 PolarHBondContact O-N 2.86Å; L336-N339 PolarHBondContact O-N 3.04Å; L336-R340 WeakPolarHBondContact O-CG 3.41Å; L336-R340 PolarHBondContact O-N 2.99Å; L336-R340 VanDerWaalsContact O-N 3.11Å
337	Q	74.6	Confident	66.8	Low	95 Å²	95	91.1 Å²	91.1	44%	0.444	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-39.8	176.2	-74.5	175.7	-23.7	0	0	112.7	Y28 I333 N334 Y335	Y28-Q337 HydrophobicContact CE2-CG 4.12Å; Y28-Q337 PolarHBondContact OH-NE2 3.43Å; Y28-Q337 VanDerWaalsContact OH-NE2 3.09Å; I333-Q337 HydrophobicContact CG2-CG 4.3Å; I333-Q337 WeakPolarHBondContact O-CB 3.4Å; I333-Q337 WeakPolarHBondContact O-CG 3.49Å; I333-Q337 PolarHBondContact O-N 3.49Å; N334-Q337 PolarHBondContact O-N 3.37Å; Y335-Q337 VanDerWaalsContact C-N 3.33Å; Y335-Q337 PolarHBondContact O-N 3.24Å
338	Q	74.5	Confident	66.8	Low	117 Å²	117	84 Å²	84	55%	0.547	43%	0.434	S	S	.	.	H	α-helix	trans	-72.8	-27	-180	-73.7	175.8	28.1	0	0	113.5	N334 Y335	N334-Q338 WeakPolarHBondContact O-CB 3.3Å; N334-Q338 WeakPolarHBondContact O-CG 3.34Å; N334-Q338 PolarHBondContact O-N 3.1Å; Y335-Q338 PolarHBondContact O-N 2.61Å
339	N	69	Low	66.7	Low	78 Å²	78	80.8 Å²	80.8	42%	0.417	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	10.5	-176.2	-64.6	-86	0	0	0	113.6	Y335 L336 I341	Y335-N339 WeakPolarHBondContact CD2-ND2 3.33Å; Y335-N339 VanDerWaalsContact CE2-ND2 3.31Å; Y335-N339 WeakPolarHBondContact CE2-ND2 3.49Å; Y335-N339 PolarHBondContact O-N 3.2Å; Y335-N339 VanDerWaalsContact O-N 3.07Å; Y335-N339 PolarHBondContact O-ND2 2.79Å; L336-N339 PolarHBondContact O-N 3.04Å; N339-I341 PolarHBondContact O-N 2.91Å; N339-I341 VanDerWaalsContact O-N 3.11Å
340	R	61.7	Low	66.5	Low	132 Å²	132	83.9 Å²	83.9	50%	0.498	44%	0.435	S	S	.	.			trans	-59	116.8	168	-92.4	176.6	-178.4	-159.2	-2.7	108.7	L336 S342	L336-R340 WeakPolarHBondContact O-CG 3.41Å; L336-R340 PolarHBondContact O-N 2.99Å; L336-R340 VanDerWaalsContact O-N 3.11Å; R340-S342 PolarHBondContact O-N 3.14Å
341	I	40.9	Very low	66.2	Low	141 Å²	141	82.1 Å²	82.1	72%	0.723	43%	0.428	S	S	*	.			trans	-62.9	119.7	169.5	-57.2	171.5	0	0	0	106.3	N339	N339-I341 PolarHBondContact O-N 2.91Å; N339-I341 VanDerWaalsContact O-N 3.11Å
342	S	34.4	Very low	65.5	Low	186 Å²	186	85.9 Å²	85.9	100%	1.301	45%	0.447	S	S	*	.			trans	-83.6	0	165.1	50.2	0	0	0	0	111.6	R340	R340-S342 PolarHBondContact O-N 3.14Å

Retrieved 342 of 342 residues in 283.7 ms (Link to these results)

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