A0A077ZJY8_TRITR Loading...

Beta-glucuronidase

Plays an important role in the degradation of dermatan and keratan sulfates.

AlphaFold DB , UniProt , Accession A0A077ZJY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 984 aa.

						>A0A077ZJY8_TRITR|A0A077ZJY8
MNGSDFSLPGGPMNRWENIQLTHENRLAPRAYFFSYDSVAQARTFARETSSLFLPLSGQWNFHFFDHPLQVPEAFTSELMADWGHITVPAMWQMEGHGKLQYTDEGFPFPIDVPFVPSDNPTGAYQRIFTLSDGWQGKQTLIKFDGVETYFEVYVNGQYVGFSKGSRLTAEFDISAMVKTGDNLLCVRVMQWADSTYVEDQDMWWSAGIFRDVYLVGKHLTHINDFTVRTDFDEAYCDATLSCEVVLENLAASPVVTMLEYTLFDGERVVHSSAIDHLAIEKLTSASFAFTVEQPQQWSAESPYLYHLVMTLKDANGNVLEVVPQRVGFRDIKVRDGLFWINNRYVMLHGVNRHDNDHRKGRAVGMDRVEKDLQLMKQHNINSVRTAHYPNDPRFYELCDIYGLFVMAETDVESHGFANVGDISRITDDPQWEKVYVERIVRHIHAQKNHPSIIIWSLGNESGYGCNIRAMYHAAKALDDTRLVHYEEDRDAEVVDIISTMYTRVPLMNEFGEYPHPKPRIICEYAHAMGNGPGGLTEYQNVFYKHDCIQGHYVWEWCDHGIQAQDDHGNVWYKFGGDYGDYPNNYNFCLDGLIYSDQTPGPGLKEYKQVIAPVKIHARDLTRGELKVENKLWFTTLDDYTLHAEVRAEGETLATQQIKLRDVAPNSEAPLQITLPQLDAREAFLNITVTKDSRTRYSEAGHPIATYQFPLKENTAQPVPFAPNNARPLTLEDDRLSCTVRGYNFAITFSKMSGKPTFWQVNGESLLTREPKINFFKPMIDNHKQEYEGLWQPNHLQIMQEHLRDFAVEQSDGEVLIISRTVIAPPVFDFGMRCTYIWRIAADGQVNVALSGERYGDYPHIIPCIGFTMGINGEYDQVAYYGRGPGENYADSQQANIIDIWRSTVDAMFENYPFPQNNGNRQHVRWTALTNRHGNGLLVVPQRPINFSAWHYTQENIHAAQHCNELQRSDDITLNLDHQLLGLG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	37.5	Very low	238 Å²	238	131 Å²	131	100%	1.172	81%	0.812	S	S	*	*				0	112.9	0	-70	-179.3	-152	0	0	107.4
2	N	36.2	Very low	40	Very low	168 Å²	168	130.7 Å²	130.7	90%	0.898	81%	0.813	S	S	*	*			trans	-163.1	109.3	141.9	-94.9	-3.3	0	0	0	103.7
3	G	38.3	Very low	43.5	Very low	70 Å²	70	127.8 Å²	127.8	72%	0.722	79%	0.786	S	S	*	*			trans	-61.7	147.6	-168.5	0	0	0	0	0	111.6	D5	G3-D5 PolarHBondContact O-N 3.13Å; G3-D5 VanDerWaalsContact O-N 3.08Å
4	S	37.4	Very low	47	Very low	99 Å²	99	123.5 Å²	123.5	69%	0.692	76%	0.755	S	S	*	*			trans	-57.1	103.7	156	47.1	0	0	0	0	108.2	F6	S4-F6 VanDerWaalsContact C-N 3.33Å; S4-F6 PolarHBondContact O-N 3.39Å
5	D	38.4	Very low	50.2	Low	154 Å²	154	120.3 Å²	120.3	82%	0.824	72%	0.724	S	S	*	*			trans	-58.6	97.8	162	-91.7	-31	0	0	0	108.1	G3 S7	G3-D5 PolarHBondContact O-N 3.13Å; G3-D5 VanDerWaalsContact O-N 3.08Å; D5-S7 PolarHBondContact O-N 3.02Å
6	F	38.1	Very low	53.1	Low	191 Å²	191	115.8 Å²	115.8	84%	0.838	69%	0.69	S	S	*	*			trans	-78.1	77.2	155.8	-83.9	-86.3	0	0	0	107.4	S4	S4-F6 VanDerWaalsContact C-N 3.33Å; S4-F6 PolarHBondContact O-N 3.39Å
7	S	35.8	Very low	55.6	Low	97 Å²	97	110.1 Å²	110.1	68%	0.678	66%	0.655	S	S	*	*			trans	-95.4	106.8	155.9	61.3	0	0	0	0	107.3	D5	D5-S7 PolarHBondContact O-N 3.02Å
8	L	37.4	Very low	57.9	Low	163 Å²	163	105.9 Å²	105.9	85%	0.853	63%	0.629	S	S	*	*			trans	-61.8	139.4	171.4	-83.6	158.9	0	0	0	109.9
9	P	36.6	Very low	59.9	Low	115 Å²	115	101 Å²	101	75%	0.747	60%	0.599	S	S	*	*			trans	-84.1	139.6	-171.1	26.8	-18.5	0	0	0	112	G11	P9-G11 PolarHBondContact O-N 3.41Å
10	G	36.6	Very low	61.6	Low	90 Å²	90	100.5 Å²	100.5	93%	0.928	59%	0.59	S	S	*	*			trans	-67.4	77.1	-176.4	0	0	0	0	0	115.6
11	G	42.8	Very low	63.2	Low	56 Å²	56	98.3 Å²	98.3	58%	0.577	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-74.5	158.3	154.2	0	0	0	0	0	111.2	P9 M13	P9-G11 PolarHBondContact O-N 3.41Å; G11-M13 PolarHBondContact O-N 3.49Å
12	P	67.7	Low	66.1	Low	127 Å²	127	87.2 Å²	87.2	83%	0.825	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-60.8	131	171.6	25.7	-31.2	0	0	0	109.6
13	M	84.8	Confident	69.1	Low	94 Å²	94	81.9 Å²	81.9	46%	0.463	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-56.9	138.9	176	-174	167.9	60.2	0	0	110.6	G11 E17 N18	G11-M13 PolarHBondContact O-N 3.49Å; M13-E17 HydrophobicContact CG-CB 4.43Å; M13-E17 VanDerWaalsContact SD-O 3.39Å; M13-N18 HydrophobicContact CE-CB 3.6Å; M13-N18 WeakPolarHBondContact CE-OD1 3.49Å
14	N	93.2	Very high	71.9	Confident	67 Å²	67	81.1 Å²	81.1	36%	0.358	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-63	149.1	-179.9	-64.1	-49.5	0	0	0	111.2	W16 E17 N18	N14-W16 VanDerWaalsContact C-N 3.27Å; N14-W16 HydrophobicContact CB-CD2 3.69Å; N14-W16 VanDerWaalsContact CB-CE2 3.46Å; N14-W16 HydrophobicContact CB-CE3 3.89Å; N14-W16 HydrophobicContact CB-CG 4.39Å; N14-W16 HydrophobicContact CB-CH2 3.67Å; N14-W16 HydrophobicContact CB-CZ2 3.47Å; N14-W16 VanDerWaalsContact CB-CZ2 3.47Å; N14-W16 HydrophobicContact CB-CZ3 3.88Å; N14-W16 VanDerWaalsContact CG-CH2 3.4Å; N14-W16 WeakPolarHBondContact ND2-CZ2 3.5Å; N14-W16 PolarHBondContact O-N 3.27Å; N14-W16 WeakPolarHBondContact OD1-CH2 3.38Å; N14-E17 HydrophobicContact CB-CB 4.44Å; N14-E17 PolarHBondContact ND2-OE2 3.21Å; N14-E17 PolarHBondContact O-N 2.97Å; N14-E17 VanDerWaalsContact O-N 3.13Å; N14-N18 WeakPolarHBondContact O-CB 3.21Å; N14-N18 PolarHBondContact O-N 2.88Å
15	R	94.8	Very high	74.8	Confident	76 Å²	76	81.1 Å²	81.1	29%	0.287	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-60	-37.6	178.3	-71.2	174	169.4	165.1	-11.9	112.5	E17 N18 L21 E24 Y150 E152 Y159 F162 K164	R15-E17 VanDerWaalsContact C-N 3.26Å; R15-E17 PolarHBondContact O-N 3.12Å; R15-N18 PolarHBondContact O-N 3.28Å; R15-L21 HydrophobicContact CG-CD2 4.25Å; R15-E24 IonicContact CZ-OE2 3.59Å; R15-E24 IonicContact NE-OE2 2.76Å; R15-E24 PolarHBondContact NE-OE2 2.87Å; R15-E24 IonicContact NH2-OE1 3.89Å; R15-E24 IonicContact NH2-OE2 3.86Å; R15-E24 PolarHBondContact NH2-OE2 3.02Å; R15-Y150 HydrophobicContact CB-CE2 4.2Å; R15-Y150 WeakPolarHBondContact CB-OH 3.42Å; R15-E152 IonicContact NH1-OE1 3.54Å; R15-E152 PolarHBondContact NH1-OE1 3.41Å; R15-E152 VanDerWaalsContact NH1-OE1 3.13Å; R15-Y159 PolarHBondContact NH1-OH 3.38Å; R15-Y159 PolarHBondContact NH2-OH 2.66Å; R15-F162 HydrophobicContact CB-CE1 4.21Å; R15-F162 HydrophobicContact CB-CZ 4.32Å; R15-F162 HydrophobicContact CG-CE1 4.17Å; R15-K164 VanDerWaalsContact O-CE 3.27Å; R15-K164 WeakPolarHBondContact O-CE 3.39Å; R15-K164 PolarHBondContact O-NZ 2.94Å
16	W	95.9	Very high	77.7	Confident	47 Å²	47	74.7 Å²	74.7	18%	0.178	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-79	-1.3	179.5	66.4	86.8	0	0	0	114.1	N14 P68 Y150 M190 A193 D194	N14-W16 VanDerWaalsContact C-N 3.27Å; N14-W16 HydrophobicContact CB-CD2 3.69Å; N14-W16 VanDerWaalsContact CB-CE2 3.46Å; N14-W16 HydrophobicContact CB-CE3 3.89Å; N14-W16 HydrophobicContact CB-CG 4.39Å; N14-W16 HydrophobicContact CB-CH2 3.67Å; N14-W16 HydrophobicContact CB-CZ2 3.47Å; N14-W16 VanDerWaalsContact CB-CZ2 3.47Å; N14-W16 HydrophobicContact CB-CZ3 3.88Å; N14-W16 VanDerWaalsContact CG-CH2 3.4Å; N14-W16 WeakPolarHBondContact ND2-CZ2 3.5Å; N14-W16 PolarHBondContact O-N 3.27Å; N14-W16 WeakPolarHBondContact OD1-CH2 3.38Å; W16-P68 HydrophobicContact CH2-CG 4.41Å; W16-P68 HydrophobicContact CZ2-CG 4.47Å; W16-Y150 HydrophobicContact CB-CD1 4.18Å; W16-Y150 HydrophobicContact CB-CD2 3.93Å; W16-Y150 HydrophobicContact CB-CE1 4.42Å; W16-Y150 HydrophobicContact CB-CE2 4.18Å; W16-Y150 HydrophobicContact CB-CG 3.95Å; W16-M190 HydrophobicContact CD2-CE 3.43Å; W16-M190 VanDerWaalsContact CD2-CE 3.43Å; W16-M190 HydrophobicContact CD2-SD 3.94Å; W16-M190 HydrophobicContact CE3-CE 3.76Å; W16-M190 HydrophobicContact CE3-SD 3.74Å; W16-M190 HydrophobicContact CG-CE 3.78Å; W16-M190 HydrophobicContact CG-SD 4.31Å; W16-M190 HydrophobicContact CH2-CE 4.33Å; W16-M190 HydrophobicContact CZ2-CE 4.03Å; W16-M190 HydrophobicContact CZ3-CE 4.2Å; W16-M190 HydrophobicContact CZ3-SD 4.28Å; W16-A193 HydrophobicContact CB-CB 3.99Å; W16-A193 CarbonylContact O-C 3.59Å; W16-A193 WeakPolarHBondContact O-CA 3.36Å; W16-A193 WeakPolarHBondContact O-CB 3.46Å; W16-D194 PolarHBondContact O-N 3.34Å
17	E	96.4	Very high	80.5	Confident	20 Å²	20	68.4 Å²	68.4	9%	0.093	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-121.1	12.8	174	-65.7	171.9	137.1	0	0	111.4	M13 N14 R15 P114 V116 D194	M13-E17 HydrophobicContact CG-CB 4.43Å; M13-E17 VanDerWaalsContact SD-O 3.39Å; N14-E17 HydrophobicContact CB-CB 4.44Å; N14-E17 PolarHBondContact ND2-OE2 3.21Å; N14-E17 PolarHBondContact O-N 2.97Å; N14-E17 VanDerWaalsContact O-N 3.13Å; R15-E17 VanDerWaalsContact C-N 3.26Å; R15-E17 PolarHBondContact O-N 3.12Å; E17-P114 VanDerWaalsContact O-CG 3.27Å; E17-P114 WeakPolarHBondContact O-CG 3.45Å; E17-V116 HydrophobicContact CG-CG2 4.11Å; E17-V116 PolarHBondContact OE1-N 2.92Å; E17-D194 VanDerWaalsContact CA-OD2 3.31Å; E17-D194 WeakPolarHBondContact CA-OD2 3.39Å; E17-D194 PolarHBondContact N-OD2 3.27Å
18	N	95.9	Very high	83.5	Confident	35 Å²	35	67.5 Å²	67.5	19%	0.187	40%	0.399	C	S	.	.			trans	-106.5	95.6	-179.6	-172	-11.8	0	0	0	111	M13 N14 R15 Q20 L21 K164 D194	M13-N18 HydrophobicContact CE-CB 3.6Å; M13-N18 WeakPolarHBondContact CE-OD1 3.49Å; N14-N18 WeakPolarHBondContact O-CB 3.21Å; N14-N18 PolarHBondContact O-N 2.88Å; R15-N18 PolarHBondContact O-N 3.28Å; N18-Q20 PolarHBondContact O-N 3.24Å; N18-Q20 VanDerWaalsContact O-N 3.14Å; N18-Q20 WeakPolarHBondContact OD1-CB 3.42Å; N18-Q20 PolarHBondContact OD1-N 3.06Å; N18-L21 HydrophobicContact CB-CB 4.15Å; N18-L21 CarbonylContact O-C 3.57Å; N18-L21 PolarHBondContact O-N 2.87Å; N18-K164 PolarHBondContact O-NZ 2.89Å; N18-D194 PolarHBondContact N-OD2 2.82Å
19	I	95.6	Very high	86.3	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.062	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.7	178.1	59.7	171.7	0	0	0	113.6	L21 P114 D194 Q431 W432 V435	I19-L21 VanDerWaalsContact C-N 3.26Å; I19-L21 PolarHBondContact O-N 2.77Å; I19-P114 HydrophobicContact CG2-CB 3.76Å; I19-D194 HydrophobicContact CG2-CB 3.67Å; I19-Q431 HydrophobicContact CD1-CB 3.84Å; I19-W432 HydrophobicContact CB-CZ2 4.5Å; I19-W432 HydrophobicContact CG2-CD2 4.39Å; I19-W432 HydrophobicContact CG2-CE3 4.47Å; I19-W432 HydrophobicContact CG2-CH2 3.56Å; I19-W432 HydrophobicContact CG2-CZ2 3.39Å; I19-W432 HydrophobicContact CG2-CZ3 4.12Å; I19-V435 HydrophobicContact CB-CG2 4.31Å; I19-V435 WeakPolarHBondContact O-CG2 3.4Å
20	Q	94.8	Very high	89.2	Confident	91 Å²	91	56.9 Å²	56.9	43%	0.425	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.3	176.8	-57.7	-56.3	-43.3	0	0	112.5	N18 Q431 K434	N18-Q20 PolarHBondContact O-N 3.24Å; N18-Q20 VanDerWaalsContact O-N 3.14Å; N18-Q20 WeakPolarHBondContact OD1-CB 3.42Å; N18-Q20 PolarHBondContact OD1-N 3.06Å; Q20-Q431 PolarHBondContact NE2-O 3.36Å; Q20-K434 PolarHBondContact O-NZ 3.15Å
21	L	95.5	Very high	92.2	Very high	54 Å²	54	52.7 Å²	52.7	28%	0.283	29%	0.294	S	S	.	.			trans	-120.8	85.6	-177.5	-159.2	73.2	0	0	0	110.3	R15 N18 I19 F162 K164	R15-L21 HydrophobicContact CG-CD2 4.25Å; N18-L21 HydrophobicContact CB-CB 4.15Å; N18-L21 CarbonylContact O-C 3.57Å; N18-L21 PolarHBondContact O-N 2.87Å; I19-L21 VanDerWaalsContact C-N 3.26Å; I19-L21 PolarHBondContact O-N 2.77Å; L21-F162 HydrophobicContact CB-CZ 4.25Å; L21-F162 HydrophobicContact CD2-CE1 3.55Å; L21-F162 HydrophobicContact CD2-CZ 3.65Å; L21-F162 HydrophobicContact CG-CE1 3.87Å; L21-F162 HydrophobicContact CG-CZ 3.58Å; L21-F162 WeakPolarHBondContact O-CZ 3.48Å; L21-K164 WeakPolarHBondContact O-CE 3.17Å; L21-K164 PolarHBondContact O-NZ 3.07Å
22	T	96.7	Very high	94.7	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.031	27%	0.27	C	S	.	.	S	Bend	trans	-77.7	-23.6	178.9	51.4	0	0	0	0	113.5	K164 K434 V435 E438	T22-K164 WeakPolarHBondContact O-CB 3.25Å; T22-K164 PolarHBondContact O-N 2.92Å; T22-K434 HydrophobicContact CG2-CG 4.49Å; T22-V435 HydrophobicContact CG2-CG2 4.12Å; T22-E438 WeakPolarHBondContact CB-OE2 3.3Å; T22-E438 PolarHBondContact OG1-OE2 3.04Å
23	H	98	Very high	96.1	Very high	56 Å²	56	45.3 Å²	45.3	26%	0.259	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	166.8	-179.9	65.2	-76	0	0	0	111.1	R26 F162 E438	H23-R26 HydrophobicContact CB-CB 3.89Å; H23-R26 PolarHBondContact ND1-NH2 2.87Å; H23-R26 VanDerWaalsContact ND1-NH2 3.12Å; H23-F162 VanDerWaalsContact CA-O 3.28Å; H23-F162 WeakPolarHBondContact CA-O 3.27Å; H23-F162 WeakPolarHBondContact CB-O 3.38Å; H23-E438 IonicContact CE1-OE2 3.44Å; H23-E438 IonicContact ND1-OE2 2.89Å
24	E	98.3	Very high	96.7	Very high	55 Å²	55	41.4 Å²	41.4	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131	166.6	-170.2	179.6	142.3	0	0	108.3	R15 R26 Y159 G161 F162 F172	R15-E24 IonicContact CZ-OE2 3.59Å; R15-E24 IonicContact NE-OE2 2.76Å; R15-E24 PolarHBondContact NE-OE2 2.87Å; R15-E24 IonicContact NH2-OE1 3.89Å; R15-E24 IonicContact NH2-OE2 3.86Å; R15-E24 PolarHBondContact NH2-OE2 3.02Å; E24-R26 PolarHBondContact O-N 2.85Å; E24-Y159 HydrophobicContact CG-CE1 4.41Å; E24-Y159 WeakPolarHBondContact OE1-CE1 3.34Å; E24-Y159 PolarHBondContact OE2-OH 2.86Å; E24-G161 WeakPolarHBondContact O-CA 3.48Å; E24-F162 HydrophobicContact CB-CD1 3.46Å; E24-F162 VanDerWaalsContact CB-CD1 3.46Å; E24-F162 HydrophobicContact CB-CE1 3.6Å; E24-F162 HydrophobicContact CB-CG 4.42Å; E24-F162 PolarHBondContact N-O 3.26Å; E24-F162 PolarHBondContact O-N 2.87Å; E24-F162 VanDerWaalsContact O-N 3.08Å; E24-F172 WeakPolarHBondContact O-CE1 2.92Å
25	N	98.3	Very high	96.9	Very high	99 Å²	99	38.5 Å²	38.5	53%	0.529	20%	0.198	S	C	.	.	S	Bend	trans	58.3	5.6	-179.6	-54.2	-31.3	0	0	0	117	V160	N25-V160 WeakPolarHBondContact CB-O 3.31Å; N25-V160 PolarHBondContact ND2-O 2.87Å
26	R	98.2	Very high	97	Very high	18 Å²	18	35 Å²	35	7%	0.068	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-65.8	134.4	169.2	-168.1	-173.4	65.9	-153.5	-4.1	109.6	H23 E24 S163 A170 E171 F172 E438	H23-R26 HydrophobicContact CB-CB 3.89Å; H23-R26 PolarHBondContact ND1-NH2 2.87Å; H23-R26 VanDerWaalsContact ND1-NH2 3.12Å; E24-R26 PolarHBondContact O-N 2.85Å; R26-S163 WeakPolarHBondContact CD-OG 3.16Å; R26-S163 PolarHBondContact NH1-OG 2.62Å; R26-A170 HydrophobicContact CG-CB 4.13Å; R26-E171 CarbonylContact C-O 3.58Å; R26-E171 WeakPolarHBondContact CA-O 3.41Å; R26-E171 WeakPolarHBondContact CG-O 3.43Å; R26-F172 HydrophobicContact CB-CD1 4.26Å; R26-F172 HydrophobicContact CB-CE1 3.7Å; R26-F172 HydrophobicContact CB-CZ 4.07Å; R26-F172 HydrophobicContact CG-CE1 4.27Å; R26-F172 HydrophobicContact CG-CZ 4.23Å; R26-E438 IonicContact CZ-OE1 3.26Å; R26-E438 VanDerWaalsContact CZ-OE1 3.23Å; R26-E438 IonicContact NH1-OE1 2.71Å; R26-E438 PolarHBondContact NH1-OE1 2.96Å; R26-E438 IonicContact NH2-OE1 3.26Å; R26-E438 PolarHBondContact NH2-OE1 3.15Å; R26-E438 IonicContact NH2-OE2 3.27Å; R26-E438 PolarHBondContact NH2-OE2 3.01Å
27	L	98	Very high	97	Very high	60 Å²	60	37 Å²	37	31%	0.314	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-67	159	177.5	-61.1	178.4	0	0	0	111.4	L141 E171 D173	L27-L141 HydrophobicContact CD1-CD1 4.36Å; L27-L141 HydrophobicContact CD1-CD2 3.62Å; L27-E171 HydrophobicContact CB-CB 4.28Å; L27-E171 HydrophobicContact CD1-CB 4.25Å; L27-E171 PolarHBondContact N-O 2.92Å; L27-D173 HydrophobicContact CD2-CB 4.45Å
28	A	97.2	Very high	97.1	Very high	78 Å²	78	38 Å²	38	65%	0.645	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-61.1	144.3	173.4	0	0	0	0	0	110.6
29	P	97.4	Very high	97.1	Very high	45 Å²	45	38.9 Å²	38.9	29%	0.292	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-67.4	149	178	31.3	-36.3	0	0	0	111.2	V441 R442 H445	P29-V441 HydrophobicContact CG-CG1 4.31Å; P29-R442 HydrophobicContact CB-CB 4.22Å; P29-R442 HydrophobicContact CB-CG 3.93Å; P29-R442 HydrophobicContact CG-CG 3.92Å; P29-H445 HydrophobicContact CB-CB 3.73Å; P29-H445 HydrophobicContact CG-CB 4.05Å
30	R	97.7	Very high	97.2	Very high	10 Å²	10	42 Å²	42	4%	0.038	24%	0.242	C	C	.	.			trans	-151	167.9	-177.3	65.7	-160.7	-172.6	90.4	1.2	109.7	F33 K143 E171 N224 D225 H445 A446	R30-F33 VanDerWaalsContact NH1-CZ 3.29Å; R30-K143 VanDerWaalsContact NH2-CE 3.32Å; R30-E171 IonicContact CZ-OE1 3.59Å; R30-E171 IonicContact CZ-OE2 2.76Å; R30-E171 IonicContact NE-OE1 2.75Å; R30-E171 PolarHBondContact NE-OE1 2.88Å; R30-E171 IonicContact NE-OE2 2.6Å; R30-E171 PolarHBondContact NE-OE2 3.16Å; R30-E171 IonicContact NH2-OE1 3.23Å; R30-E171 IonicContact NH2-OE2 3.5Å; R30-E171 PolarHBondContact NH2-OE2 2.88Å; R30-N224 WeakPolarHBondContact CD-O 3.42Å; R30-N224 PolarHBondContact NH1-O 2.88Å; R30-D225 HydrophobicContact CB-CB 3.89Å; R30-H445 CarbonylContact C-O 3.56Å; R30-H445 VanDerWaalsContact C-O 3.27Å; R30-A446 WeakPolarHBondContact O-CA 3.47Å
31	A	98.1	Very high	97.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	24%	0.237	C	C	.	.			trans	-56	144.7	176.2	0	0	0	0	0	111.9	F33 D225 H445 N449	A31-F33 HydrophobicContact CB-CD1 4Å; A31-F33 HydrophobicContact CB-CE1 4.36Å; A31-F33 WeakPolarHBondContact O-CD1 3.22Å; A31-F33 WeakPolarHBondContact O-CE1 3.26Å; A31-F33 PolarHBondContact O-N 2.95Å; A31-D225 WeakPolarHBondContact CB-OD1 3.48Å; A31-D225 PolarHBondContact N-OD1 2.67Å; A31-H445 WeakPolarHBondContact CA-O 3.29Å; A31-H445 PolarHBondContact N-O 3.37Å; A31-H445 VanDerWaalsContact N-O 3.14Å; A31-N449 WeakPolarHBondContact CB-ND2 3.24Å
32	Y	96.5	Very high	97.4	Very high	18 Å²	18	38.2 Å²	38.2	7%	0.071	22%	0.223	C	C	.	.			trans	-78.1	107.1	174.4	-174.5	-92.9	0	0	0	110.6	F34 Y214 P393 A446	Y32-F34 HydrophobicContact CD1-CE2 4.44Å; Y32-F34 AromaticContact CE1-CE2 3.63Å; Y32-F34 HydrophobicContact CE1-CE2 3.63Å; Y32-F34 HydrophobicContact CE1-CZ 4.31Å; Y32-F34 HydrophobicContact CE2-CE2 4.43Å; Y32-F34 HydrophobicContact CE2-CZ 4.36Å; Y32-F34 AromaticContact CZ-CE2 3.6Å; Y32-F34 AromaticContact CZ-CZ 3.81Å; Y32-F34 WeakPolarHBondContact OH-CZ 3.48Å; Y32-Y214 VanDerWaalsContact CE2-OH 3.25Å; Y32-Y214 WeakPolarHBondContact CE2-OH 3.48Å; Y32-P393 HydrophobicContact CD1-CB 3.69Å; Y32-P393 HydrophobicContact CD2-CB 3.53Å; Y32-P393 HydrophobicContact CD2-CG 3.68Å; Y32-P393 HydrophobicContact CE1-CB 3.81Å; Y32-P393 HydrophobicContact CE2-CB 3.65Å; Y32-P393 HydrophobicContact CE2-CG 3.73Å; Y32-P393 HydrophobicContact CG-CB 3.55Å; Y32-P393 HydrophobicContact CG-CG 4.19Å; Y32-A446 PolarHBondContact N-O 2.91Å; Y32-A446 VanDerWaalsContact N-O 3.15Å
33	F	96.8	Very high	97.4	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.044	23%	0.23	C	C	.	.			trans	-154.3	167.4	177.5	66.4	-90.7	0	0	0	112.6	R30 A31 I223 N224 F226 V323	R30-F33 VanDerWaalsContact NH1-CZ 3.29Å; A31-F33 HydrophobicContact CB-CD1 4Å; A31-F33 HydrophobicContact CB-CE1 4.36Å; A31-F33 WeakPolarHBondContact O-CD1 3.22Å; A31-F33 WeakPolarHBondContact O-CE1 3.26Å; A31-F33 PolarHBondContact O-N 2.95Å; F33-I223 HydrophobicContact CE2-CG2 4.39Å; F33-I223 HydrophobicContact CZ-CG2 4.1Å; F33-I223 WeakPolarHBondContact CZ-O 3.38Å; F33-N224 WeakPolarHBondContact CZ-O 3.15Å; F33-F226 HydrophobicContact CB-CE1 3.95Å; F33-F226 HydrophobicContact CB-CZ 4.37Å; F33-F226 AromaticContact CD1-CD1 3.95Å; F33-F226 HydrophobicContact CD1-CD1 3.95Å; F33-F226 AromaticContact CD1-CE1 3.41Å; F33-F226 HydrophobicContact CD1-CE1 3.41Å; F33-F226 VanDerWaalsContact CD1-CE1 3.41Å; F33-F226 HydrophobicContact CD1-CZ 4.37Å; F33-F226 HydrophobicContact CD2-CE1 4.25Å; F33-F226 AromaticContact CE1-CD1 3.94Å; F33-F226 HydrophobicContact CE1-CD1 3.94Å; F33-F226 AromaticContact CE1-CE1 3.89Å; F33-F226 HydrophobicContact CE1-CE1 3.89Å; F33-F226 HydrophobicContact CG-CD1 4.45Å; F33-F226 AromaticContact CG-CE1 3.62Å; F33-F226 HydrophobicContact CG-CE1 3.62Å; F33-F226 HydrophobicContact CG-CZ 4.49Å; F33-F226 HydrophobicContact CZ-CD1 4.4Å; F33-F226 HydrophobicContact CZ-CE1 4.46Å; F33-V323 HydrophobicContact CB-CG1 4.17Å; F33-V323 HydrophobicContact CD2-CB 4.41Å; F33-V323 HydrophobicContact CD2-CG1 3.53Å; F33-V323 HydrophobicContact CD2-CG2 3.92Å; F33-V323 HydrophobicContact CE2-CG1 4.12Å; F33-V323 HydrophobicContact CE2-CG2 3.93Å; F33-V323 HydrophobicContact CG-CG1 3.99Å
34	F	97.2	Very high	97.4	Very high	12 Å²	12	41.1 Å²	41.1	5%	0.053	24%	0.24	C	C	.	.			trans	-127.6	155.1	177.9	-63.1	-88.3	0	0	0	111.8	Y32 Y36 R47 F53 Y214 V216	Y32-F34 HydrophobicContact CD1-CE2 4.44Å; Y32-F34 AromaticContact CE1-CE2 3.63Å; Y32-F34 HydrophobicContact CE1-CE2 3.63Å; Y32-F34 HydrophobicContact CE1-CZ 4.31Å; Y32-F34 HydrophobicContact CE2-CE2 4.43Å; Y32-F34 HydrophobicContact CE2-CZ 4.36Å; Y32-F34 AromaticContact CZ-CE2 3.6Å; Y32-F34 AromaticContact CZ-CZ 3.81Å; Y32-F34 WeakPolarHBondContact OH-CZ 3.48Å; F34-Y36 HydrophobicContact CB-CE2 3.93Å; F34-Y36 WeakPolarHBondContact O-CD2 3.33Å; F34-Y36 WeakPolarHBondContact O-CE2 3.13Å; F34-R47 HydrophobicContact CD1-CB 3.99Å; F34-R47 HydrophobicContact CD2-CB 3.57Å; F34-R47 HydrophobicContact CE1-CB 3.93Å; F34-R47 HydrophobicContact CE2-CB 3.5Å; F34-R47 HydrophobicContact CE2-CG 4.37Å; F34-R47 HydrophobicContact CG-CB 3.82Å; F34-R47 HydrophobicContact CZ-CB 3.69Å; F34-R47 HydrophobicContact CZ-CG 4.3Å; F34-F53 HydrophobicContact CD1-CD2 4.08Å; F34-F53 HydrophobicContact CD1-CE2 4.45Å; F34-F53 AromaticContact CE1-CD2 3.71Å; F34-F53 HydrophobicContact CE1-CD2 3.71Å; F34-F53 AromaticContact CE1-CE2 3.67Å; F34-F53 HydrophobicContact CE1-CE2 3.67Å; F34-F53 HydrophobicContact CZ-CE2 4.28Å; F34-Y214 HydrophobicContact CE1-CD2 4.36Å; F34-Y214 AromaticContact CE1-CE2 3.66Å; F34-Y214 HydrophobicContact CE1-CE2 3.66Å; F34-Y214 AromaticContact CZ-CE2 3.95Å; F34-Y214 HydrophobicContact CZ-CE2 3.95Å; F34-V216 HydrophobicContact CD1-CG2 4.41Å; F34-V216 HydrophobicContact CE1-CG2 4.18Å
35	S	97	Very high	97.3	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.042	23%	0.234	C	C	.	.			trans	-104.9	135.8	-177.6	-58.3	0	0	0	0	110.5	S50 S51 E321	S35-S50 WeakPolarHBondContact O-CA 3.49Å; S35-S50 VanDerWaalsContact O-CB 3.29Å; S35-S50 WeakPolarHBondContact O-CB 3.14Å; S35-S50 PolarHBondContact O-OG 2.8Å; S35-S51 PolarHBondContact O-N 2.86Å; S35-E321 WeakPolarHBondContact CB-OE2 3.38Å; S35-E321 PolarHBondContact OG-OE2 2.81Å
36	Y	98.2	Very high	97.2	Very high	3 Å²	3	37 Å²	37	1%	0.012	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-126.9	160.9	-176.5	-57.6	-98.7	0	0	0	111.5	F34 Q41 A42 F45 A46 R47 S51 V322 P324	F34-Y36 HydrophobicContact CB-CE2 3.93Å; F34-Y36 WeakPolarHBondContact O-CD2 3.33Å; F34-Y36 WeakPolarHBondContact O-CE2 3.13Å; Y36-Q41 HydrophobicContact CD1-CB 3.99Å; Y36-Q41 HydrophobicContact CG-CB 4.47Å; Y36-A42 HydrophobicContact CD2-CB 3.86Å; Y36-A42 HydrophobicContact CG-CB 3.99Å; Y36-F45 VanDerWaalsContact OH-C 3.24Å; Y36-F45 PolarHBondContact OH-O 2.99Å; Y36-A46 WeakPolarHBondContact CE1-O 3.36Å; Y36-R47 PolarHBondContact OH-N 2.91Å; Y36-S51 VanDerWaalsContact CA-OG 3.27Å; Y36-S51 WeakPolarHBondContact CA-OG 3.48Å; Y36-V322 WeakPolarHBondContact CD2-O 3.33Å; Y36-V322 PolarHBondContact N-O 3.46Å; Y36-V322 WeakPolarHBondContact O-CB 3.42Å; Y36-V322 PolarHBondContact O-N 2.67Å; Y36-P324 HydrophobicContact CD2-CG 4.02Å; Y36-P324 HydrophobicContact CE2-CG 3.59Å
37	D	95.9	Very high	97	Very high	89 Å²	89	37.5 Å²	37.5	48%	0.476	23%	0.226	S	C	.	.	S	Bend	trans	-82.5	-17.4	-177.9	-62.7	-41.6	0	0	0	113	S51	D37-S51 PolarHBondContact N-OG 2.84Å; D37-S51 WeakPolarHBondContact OD1-CB 3.26Å; D37-S51 PolarHBondContact OD1-OG 2.83Å
38	S	97.1	Very high	96.8	Very high	40 Å²	40	39.9 Å²	39.9	28%	0.28	24%	0.236	S	C	.	.	S	Bend	trans	-150.5	155.3	-175.6	68.2	0	0	0	0	112.6	A40 Q41 A42	S38-A40 PolarHBondContact O-N 2.84Å; S38-Q41 PolarHBondContact O-N 2.88Å; S38-Q41 WeakPolarHBondContact OG-CG 3.48Å; S38-Q41 PolarHBondContact OG-N 2.96Å; S38-Q41 PolarHBondContact OG-OE1 2.98Å; S38-A42 WeakPolarHBondContact O-CB 3.41Å; S38-A42 PolarHBondContact O-N 2.91Å
39	V	97.6	Very high	96.6	Very high	55 Å²	55	39 Å²	39	33%	0.333	22%	0.222	S	C	.	.	H	α-helix	trans	-57.5	-36.8	173.7	177.1	0	0	0	0	111.7	A42 R43 F264 V309 V322	V39-A42 PolarHBondContact O-N 2.99Å; V39-R43 HydrophobicContact CG1-CG 4.25Å; V39-R43 WeakPolarHBondContact O-CB 3.43Å; V39-R43 WeakPolarHBondContact O-CG 3.35Å; V39-R43 PolarHBondContact O-N 2.78Å; V39-F264 HydrophobicContact CG1-CE2 4.24Å; V39-F264 HydrophobicContact CG1-CZ 4.16Å; V39-V309 HydrophobicContact CG1-CG1 4.31Å; V39-V309 HydrophobicContact CG2-CG1 4.16Å; V39-V322 HydrophobicContact CG2-CG1 4.25Å
40	A	96.7	Very high	96.5	Very high	76 Å²	76	37.3 Å²	37.3	63%	0.628	21%	0.212	S	C	*	.	H	α-helix	trans	-64	-46.1	178.8	0	0	0	0	0	112	S38	S38-A40 PolarHBondContact O-N 2.84Å
41	Q	97	Very high	96	Very high	66 Å²	66	38.2 Å²	38.2	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-66.9	-45.1	175.3	-73.5	163.5	-52.1	0	0	111.3	Y36 S38 R43 T44	Y36-Q41 HydrophobicContact CD1-CB 3.99Å; Y36-Q41 HydrophobicContact CG-CB 4.47Å; S38-Q41 PolarHBondContact O-N 2.88Å; S38-Q41 WeakPolarHBondContact OG-CG 3.48Å; S38-Q41 PolarHBondContact OG-N 2.96Å; S38-Q41 PolarHBondContact OG-OE1 2.98Å; Q41-R43 VanDerWaalsContact C-N 3.31Å; Q41-R43 PolarHBondContact O-N 3.21Å; Q41-T44 WeakPolarHBondContact O-CB 3.4Å; Q41-T44 PolarHBondContact O-N 2.85Å; Q41-T44 PolarHBondContact O-OG1 3.26Å
42	A	97.9	Very high	95.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.9	-43.6	179.8	0	0	0	0	0	112.2	Y36 S38 V39 T44 F45 V322 P324	Y36-A42 HydrophobicContact CD2-CB 3.86Å; Y36-A42 HydrophobicContact CG-CB 3.99Å; S38-A42 WeakPolarHBondContact O-CB 3.41Å; S38-A42 PolarHBondContact O-N 2.91Å; V39-A42 PolarHBondContact O-N 2.99Å; A42-T44 PolarHBondContact O-N 2.77Å; A42-T44 VanDerWaalsContact O-N 3.09Å; A42-F45 PolarHBondContact O-N 2.81Å; A42-V322 HydrophobicContact CB-CB 4.14Å; A42-V322 HydrophobicContact CB-CG1 3.53Å; A42-P324 HydrophobicContact CB-CB 4.02Å; A42-P324 HydrophobicContact CB-CG 3.98Å; A42-P324 WeakPolarHBondContact O-CB 3.35Å; A42-P324 VanDerWaalsContact O-CG 3.24Å; A42-P324 WeakPolarHBondContact O-CG 3.36Å
43	R	97.1	Very high	95.7	Very high	45 Å²	45	39.7 Å²	39.7	17%	0.17	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-4.8	179.8	-70.5	178.6	67.8	-123	-10.7	114.2	V39 Q41 G266 E267 V309	V39-R43 HydrophobicContact CG1-CG 4.25Å; V39-R43 WeakPolarHBondContact O-CB 3.43Å; V39-R43 WeakPolarHBondContact O-CG 3.35Å; V39-R43 PolarHBondContact O-N 2.78Å; Q41-R43 VanDerWaalsContact C-N 3.31Å; Q41-R43 PolarHBondContact O-N 3.21Å; R43-G266 PolarHBondContact NH2-O 2.86Å; R43-E267 IonicContact CZ-OE1 3.87Å; R43-E267 IonicContact CZ-OE2 3.01Å; R43-E267 VanDerWaalsContact NH1-CD 3.31Å; R43-E267 IonicContact NH1-OE1 3.6Å; R43-E267 PolarHBondContact NH1-OE1 3.11Å; R43-E267 IonicContact NH1-OE2 3.97Å; R43-E267 PolarHBondContact NH1-OE2 3.35Å; R43-E267 IonicContact NH2-OE1 3.17Å; R43-E267 PolarHBondContact NH2-OE1 3.07Å; R43-E267 IonicContact NH2-OE2 2.62Å; R43-V309 HydrophobicContact CG-CG2 3.89Å
44	T	96.5	Very high	95.7	Very high	77 Å²	77	41.5 Å²	41.5	47%	0.472	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-24	168.3	73.6	0	0	0	0	113	Q41 A42 A46	Q41-T44 WeakPolarHBondContact O-CB 3.4Å; Q41-T44 PolarHBondContact O-N 2.85Å; Q41-T44 PolarHBondContact O-OG1 3.26Å; A42-T44 PolarHBondContact O-N 2.77Å; A42-T44 VanDerWaalsContact O-N 3.09Å; T44-A46 PolarHBondContact O-N 2.93Å; T44-A46 WeakPolarHBondContact OG1-CB 2.9Å; T44-A46 PolarHBondContact OG1-N 2.98Å
45	F	96.5	Very high	95.7	Very high	30 Å²	30	43.7 Å²	43.7	13%	0.132	25%	0.252	C	S	.	.			trans	54.8	13.1	-170.5	-63.9	-97.2	0	0	0	114.6	Y36 A42 R47 H307 P324 R326	Y36-F45 VanDerWaalsContact OH-C 3.24Å; Y36-F45 PolarHBondContact OH-O 2.99Å; A42-F45 PolarHBondContact O-N 2.81Å; F45-R47 PolarHBondContact O-N 2.61Å; F45-R47 VanDerWaalsContact O-N 3.13Å; F45-H307 AromaticContact CE2-CD2 3.72Å; F45-H307 AromaticContact CE2-CE1 3.62Å; F45-H307 AromaticContact CE2-CG 3.82Å; F45-H307 AromaticContact CE2-ND1 3.75Å; F45-H307 AromaticContact CE2-NE2 3.6Å; F45-H307 AromaticContact CZ-CD2 3.99Å; F45-P324 HydrophobicContact CD1-CB 4.16Å; F45-P324 HydrophobicContact CD1-CG 4Å; F45-P324 HydrophobicContact CE1-CB 3.6Å; F45-P324 HydrophobicContact CE1-CG 3.91Å; F45-P324 HydrophobicContact CE2-CB 4.35Å; F45-P324 HydrophobicContact CZ-CB 3.72Å; F45-P324 HydrophobicContact CZ-CG 4.45Å; F45-R326 HydrophobicContact CD1-CG 4.16Å; F45-R326 HydrophobicContact CD2-CG 4.48Å; F45-R326 HydrophobicContact CE1-CG 3.54Å; F45-R326 HydrophobicContact CE2-CG 3.91Å; F45-R326 HydrophobicContact CZ-CB 4.44Å; F45-R326 HydrophobicContact CZ-CG 3.39Å
46	A	95.9	Very high	95.8	Very high	39 Å²	39	43.5 Å²	43.5	32%	0.322	25%	0.25	S	S	.	.			trans	-79.6	98.5	178.9	0	0	0	0	0	109.3	Y36 T44 E48 T49	Y36-A46 WeakPolarHBondContact CE1-O 3.36Å; T44-A46 PolarHBondContact O-N 2.93Å; T44-A46 WeakPolarHBondContact OG1-CB 2.9Å; T44-A46 PolarHBondContact OG1-N 2.98Å; A46-E48 PolarHBondContact O-N 2.81Å; A46-T49 HydrophobicContact CB-CG2 4.09Å; A46-T49 PolarHBondContact O-N 2.88Å; A46-T49 PolarHBondContact O-OG1 3.44Å
47	R	94.7	Very high	95.7	Very high	27 Å²	27	44.6 Å²	44.6	10%	0.102	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-51.8	-30.6	-178.5	71.4	-179.2	-175.4	174.2	5	113.8	F34 Y36 F45 T49 S50 F53 D212	F34-R47 HydrophobicContact CD1-CB 3.99Å; F34-R47 HydrophobicContact CD2-CB 3.57Å; F34-R47 HydrophobicContact CE1-CB 3.93Å; F34-R47 HydrophobicContact CE2-CB 3.5Å; F34-R47 HydrophobicContact CE2-CG 4.37Å; F34-R47 HydrophobicContact CG-CB 3.82Å; F34-R47 HydrophobicContact CZ-CB 3.69Å; F34-R47 HydrophobicContact CZ-CG 4.3Å; Y36-R47 PolarHBondContact OH-N 2.91Å; F45-R47 PolarHBondContact O-N 2.61Å; F45-R47 VanDerWaalsContact O-N 3.13Å; R47-T49 PolarHBondContact O-N 2.87Å; R47-T49 VanDerWaalsContact O-N 3.12Å; R47-S50 WeakPolarHBondContact O-CB 3.26Å; R47-S50 PolarHBondContact O-N 3.07Å; R47-F53 HydrophobicContact CG-CE2 4.3Å; R47-F53 HydrophobicContact CG-CZ 4.18Å; R47-F53 WeakPolarHBondContact O-CG 3.49Å; R47-D212 IonicContact CZ-OD2 3.71Å; R47-D212 IonicContact NH1-OD2 2.85Å; R47-D212 PolarHBondContact NH1-OD2 3.46Å; R47-D212 VanDerWaalsContact NH1-OD2 3.14Å; R47-D212 IonicContact NH2-OD2 3.45Å; R47-D212 PolarHBondContact NH2-OD2 2.97Å
48	E	93.2	Very high	95.8	Very high	111 Å²	111	41.8 Å²	41.8	52%	0.519	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-62.4	-18.5	177.3	-37.2	-56.5	153.5	0	0	113	A46 F53	A46-E48 PolarHBondContact O-N 2.81Å; E48-F53 WeakPolarHBondContact OE2-CE1 3.38Å
49	T	93.9	Very high	95.8	Very high	58 Å²	58	45 Å²	45	36%	0.356	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-103.4	6.4	178.9	70.8	0	0	0	0	113.3	A46 R47	A46-T49 HydrophobicContact CB-CG2 4.09Å; A46-T49 PolarHBondContact O-N 2.88Å; A46-T49 PolarHBondContact O-OG1 3.44Å; R47-T49 PolarHBondContact O-N 2.87Å; R47-T49 VanDerWaalsContact O-N 3.12Å
50	S	95.3	Very high	95.8	Very high	11 Å²	11	42.5 Å²	42.5	8%	0.077	25%	0.246	C	C	.	.	S	Bend	trans	-62	146.6	173.1	170.6	0	0	0	0	110.9	S35 R47 L52	S35-S50 WeakPolarHBondContact O-CA 3.49Å; S35-S50 VanDerWaalsContact O-CB 3.29Å; S35-S50 WeakPolarHBondContact O-CB 3.14Å; S35-S50 PolarHBondContact O-OG 2.8Å; R47-S50 WeakPolarHBondContact O-CB 3.26Å; R47-S50 PolarHBondContact O-N 3.07Å; S50-L52 PolarHBondContact O-N 2.88Å
51	S	86.1	Confident	95.9	Very high	28 Å²	28	40.4 Å²	40.4	20%	0.196	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-33	-171.3	-57.8	0	0	0	0	114.6	S35 Y36 D37	S35-S51 PolarHBondContact O-N 2.86Å; Y36-S51 VanDerWaalsContact CA-OG 3.27Å; Y36-S51 WeakPolarHBondContact CA-OG 3.48Å; D37-S51 PolarHBondContact N-OG 2.84Å; D37-S51 WeakPolarHBondContact OD1-CB 3.26Å; D37-S51 PolarHBondContact OD1-OG 2.83Å
52	L	92.1	Very high	96	Very high	23 Å²	23	37.4 Å²	37.4	12%	0.12	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.6	75.3	179.7	-69	174.5	0	0	0	109.1	S50 W135 K138 V216 G217	S50-L52 PolarHBondContact O-N 2.88Å; L52-W135 HydrophobicContact CB-CH2 4.07Å; L52-W135 HydrophobicContact CB-CZ2 4.03Å; L52-W135 HydrophobicContact CB-CZ3 4.46Å; L52-W135 HydrophobicContact CD2-CD2 4.33Å; L52-W135 HydrophobicContact CD2-CG 4.48Å; L52-W135 HydrophobicContact CD2-CZ2 4.45Å; L52-W135 WeakPolarHBondContact O-CH2 3.31Å; L52-K138 HydrophobicContact CD1-CB 4.29Å; L52-K138 HydrophobicContact CD1-CD 4.23Å; L52-K138 HydrophobicContact CD1-CG 3.82Å; L52-V216 WeakPolarHBondContact O-CA 3.39Å; L52-G217 PolarHBondContact O-N 2.88Å
53	F	96.8	Very high	96	Very high	28 Å²	28	41.1 Å²	41.1	12%	0.123	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.3	173.8	-179.9	-92.6	0	0	0	109.9	F34 R47 E48 P55 Y214	F34-F53 HydrophobicContact CD1-CD2 4.08Å; F34-F53 HydrophobicContact CD1-CE2 4.45Å; F34-F53 AromaticContact CE1-CD2 3.71Å; F34-F53 HydrophobicContact CE1-CD2 3.71Å; F34-F53 AromaticContact CE1-CE2 3.67Å; F34-F53 HydrophobicContact CE1-CE2 3.67Å; F34-F53 HydrophobicContact CZ-CE2 4.28Å; R47-F53 HydrophobicContact CG-CE2 4.3Å; R47-F53 HydrophobicContact CG-CZ 4.18Å; R47-F53 WeakPolarHBondContact O-CG 3.49Å; E48-F53 WeakPolarHBondContact OE2-CE1 3.38Å; F53-P55 HydrophobicContact CE1-CB 3.93Å; F53-P55 HydrophobicContact CE1-CG 4.13Å; F53-P55 HydrophobicContact CZ-CB 4.46Å; F53-Y214 AromaticContact CD2-CD2 3.96Å; F53-Y214 HydrophobicContact CD2-CD2 3.96Å; F53-Y214 HydrophobicContact CD2-CG 4.49Å; F53-Y214 HydrophobicContact CE2-CD1 4.3Å; F53-Y214 AromaticContact CE2-CD2 3.35Å; F53-Y214 HydrophobicContact CE2-CD2 3.35Å; F53-Y214 AromaticContact CE2-CE2 3.89Å; F53-Y214 HydrophobicContact CE2-CE2 3.89Å; F53-Y214 AromaticContact CE2-CG 3.57Å; F53-Y214 HydrophobicContact CE2-CG 3.57Å; F53-Y214 HydrophobicContact CZ-CD1 4.49Å; F53-Y214 HydrophobicContact CZ-CD2 4.2Å; F53-Y214 AromaticContact CZ-CG 3.96Å; F53-Y214 HydrophobicContact CZ-CG 3.96Å
54	L	97.5	Very high	96.1	Very high	47 Å²	47	40.6 Å²	40.6	25%	0.246	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	106.2	175.2	-178.7	63.6	0	0	0	109.6	L56 F129 L131 W135 Y214 L215	L54-L56 HydrophobicContact CD2-CD2 4.27Å; L54-L56 HydrophobicContact CG-CD2 4.26Å; L54-L56 PolarHBondContact O-N 2.93Å; L54-F129 HydrophobicContact CD2-CB 4.21Å; L54-F129 HydrophobicContact CD2-CD2 4.18Å; L54-L131 HydrophobicContact CD2-CD2 4.16Å; L54-W135 HydrophobicContact CB-CZ2 4.04Å; L54-Y214 CarbonylContact O-C 3.56Å; L54-Y214 VanDerWaalsContact O-CA 3.31Å; L54-Y214 WeakPolarHBondContact O-CA 3.26Å; L54-Y214 WeakPolarHBondContact O-CB 3.42Å; L54-L215 HydrophobicContact CB-CB 4.17Å; L54-L215 HydrophobicContact CD2-CD1 4.01Å; L54-L215 PolarHBondContact N-O 3.03Å; L54-L215 PolarHBondContact O-N 3.45Å
55	P	97.1	Very high	96.2	Very high	59 Å²	59	38 Å²	38	38%	0.383	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.1	175.6	26.9	-32.4	0	0	0	110.6	F53	F53-P55 HydrophobicContact CE1-CB 3.93Å; F53-P55 HydrophobicContact CE1-CG 4.13Å; F53-P55 HydrophobicContact CZ-CB 4.46Å
56	L	98.3	Very high	96.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.228	C	C	.	.			trans	-109	2.2	173.8	-57.9	179.4	0	0	0	112.3	L54 W60 R127 F129 I142 L185 V213 L215	L54-L56 HydrophobicContact CD2-CD2 4.27Å; L54-L56 HydrophobicContact CG-CD2 4.26Å; L54-L56 PolarHBondContact O-N 2.93Å; L56-W60 HydrophobicContact CB-CZ2 4.3Å; L56-W60 PolarHBondContact O-NE1 3.37Å; L56-R127 VanDerWaalsContact C-CZ 3.46Å; L56-R127 WeakPolarHBondContact O-CD 3.44Å; L56-R127 PolarHBondContact O-NE 3.29Å; L56-R127 PolarHBondContact O-NH1 2.81Å; L56-R127 PolarHBondContact O-NH2 2.9Å; L56-F129 HydrophobicContact CD2-CB 3.61Å; L56-F129 HydrophobicContact CD2-CG 4.15Å; L56-I142 HydrophobicContact CD1-CD1 4.16Å; L56-L185 HydrophobicContact CD1-CD2 3.72Å; L56-V213 CarbonylContact C-O 3.44Å; L56-V213 VanDerWaalsContact CA-O 3.23Å; L56-V213 WeakPolarHBondContact CA-O 3.26Å; L56-V213 HydrophobicContact CB-CB 4.17Å; L56-V213 HydrophobicContact CB-CG1 4.06Å; L56-V213 VanDerWaalsContact CB-O 3.3Å; L56-V213 WeakPolarHBondContact CB-O 3.26Å; L56-V213 HydrophobicContact CD1-CG1 4.17Å; L56-V213 PolarHBondContact N-O 2.77Å; L56-L215 HydrophobicContact CD1-CD2 3.72Å; L56-L215 HydrophobicContact CD1-CG 3.8Å; L56-L215 HydrophobicContact CG-CG 4.31Å
57	S	96.8	Very high	96.2	Very high	27 Å²	27	41.7 Å²	41.7	19%	0.189	22%	0.223	C	C	.	.			trans	-62.8	151.9	163.4	-53.1	0	0	0	0	110.9	V88 R127 D212 V213	S57-V88 CarbonylContact C-O 3.57Å; S57-V88 VanDerWaalsContact CA-O 3.29Å; S57-V88 WeakPolarHBondContact CA-O 3.25Å; S57-V88 WeakPolarHBondContact CB-O 3.2Å; S57-R127 VanDerWaalsContact C-NH1 3.35Å; S57-R127 PolarHBondContact O-NH1 2.64Å; S57-R127 PolarHBondContact O-NH2 2.82Å; S57-D212 WeakPolarHBondContact OG-CA 3.23Å; S57-D212 PolarHBondContact OG-OD1 3.03Å; S57-V213 PolarHBondContact N-O 3.15Å; S57-V213 VanDerWaalsContact N-O 3.14Å; S57-V213 PolarHBondContact OG-N 3.31Å
58	G	97.2	Very high	96.3	Very high	29 Å²	29	40.9 Å²	40.9	30%	0.299	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	125.7	-150.2	-176.2	0	0	0	0	0	111.9	T87 V88	G58-T87 CarbonylContact O-C 3.27Å; G58-V88 PolarHBondContact N-O 2.85Å; G58-V88 PolarHBondContact O-N 2.89Å
59	Q	97.7	Very high	96.4	Very high	108 Å²	108	43 Å²	43	51%	0.505	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	139.4	-179.7	-65.3	-63	-58.6	0	0	111.8	T87 R127	Q59-T87 PolarHBondContact NE2-OG1 2.99Å; Q59-R127 PolarHBondContact O-NH1 3.34Å; Q59-R127 VanDerWaalsContact O-NH1 3.13Å
60	W	98.5	Very high	96.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.9	174.9	-74.4	61.9	0	0	0	109	L56 H85 I86 V88 Y125 R127 L185 V187 V213	L56-W60 HydrophobicContact CB-CZ2 4.3Å; L56-W60 PolarHBondContact O-NE1 3.37Å; W60-H85 CarbonylContact O-C 3.57Å; W60-H85 WeakPolarHBondContact O-CA 3.35Å; W60-I86 HydrophobicContact CB-CG2 4.25Å; W60-I86 PolarHBondContact N-O 2.67Å; W60-I86 PolarHBondContact O-N 2.78Å; W60-V88 HydrophobicContact CB-CG2 4.48Å; W60-V88 VanDerWaalsContact CD1-CG2 3.48Å; W60-V88 HydrophobicContact CD2-CG2 4.21Å; W60-V88 HydrophobicContact CG-CB 4.5Å; W60-V88 HydrophobicContact CG-CG2 3.86Å; W60-Y125 HydrophobicContact CB-CD1 4.36Å; W60-Y125 HydrophobicContact CE3-CD1 4.42Å; W60-R127 HydrophobicContact CD2-CB 3.49Å; W60-R127 VanDerWaalsContact CD2-CB 3.49Å; W60-R127 HydrophobicContact CD2-CG 4.33Å; W60-R127 VanDerWaalsContact CE2-CD 3.41Å; W60-R127 HydrophobicContact CE3-CB 3.43Å; W60-R127 VanDerWaalsContact CE3-CB 3.43Å; W60-R127 HydrophobicContact CG-CB 4.1Å; W60-R127 HydrophobicContact CH2-CB 4.13Å; W60-R127 HydrophobicContact CZ2-CB 4.09Å; W60-R127 HydrophobicContact CZ3-CB 3.79Å; W60-R127 VanDerWaalsContact NE1-CD 3.34Å; W60-L185 HydrophobicContact CH2-CD2 3.36Å; W60-L185 HydrophobicContact CH2-CG 3.87Å; W60-L185 HydrophobicContact CZ2-CD2 4.14Å; W60-L185 HydrophobicContact CZ3-CD2 4.02Å; W60-L185 HydrophobicContact CZ3-CG 4.04Å; W60-V187 HydrophobicContact CH2-CG2 4.04Å; W60-V187 HydrophobicContact CZ3-CG2 3.93Å; W60-V213 HydrophobicContact CZ2-CB 4.42Å; W60-V213 HydrophobicContact CZ2-CG1 4.34Å
61	N	98.3	Very high	96.7	Very high	32 Å²	32	45 Å²	45	17%	0.171	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135.1	164	-73.8	5.9	0	0	0	108	G84 H85 Y125 Q126	N61-G84 CarbonylContact C-O 3.58Å; N61-G84 WeakPolarHBondContact CA-O 3.41Å; N61-H85 PolarHBondContact OD1-CE1 3.26Å; N61-H85 PolarHBondContact OD1-ND1 3.04Å; N61-Y125 CarbonylContact O-C 3.55Å; N61-Q126 HydrophobicContact CB-CB 4.09Å; N61-Q126 PolarHBondContact N-O 3.13Å; N61-Q126 PolarHBondContact O-N 3.31Å
62	F	98.6	Very high	97.2	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	142.1	-169.2	179.2	-101.3	0	0	0	112.7	F64 G84 I86 W92 H97 A124 Y125	F62-F64 HydrophobicContact CE1-CB 3.89Å; F62-F64 HydrophobicContact CZ-CB 4.08Å; F62-G84 PolarHBondContact N-O 3.14Å; F62-G84 PolarHBondContact O-N 3.28Å; F62-I86 HydrophobicContact CB-CB 3.71Å; F62-I86 HydrophobicContact CB-CG2 3.49Å; F62-I86 VanDerWaalsContact CB-CG2 3.49Å; F62-I86 HydrophobicContact CD1-CB 3.85Å; F62-I86 HydrophobicContact CD1-CD1 4.1Å; F62-I86 HydrophobicContact CD1-CG1 4.41Å; F62-I86 HydrophobicContact CD1-CG2 4.22Å; F62-I86 HydrophobicContact CD2-CB 4.25Å; F62-I86 HydrophobicContact CD2-CD1 4.33Å; F62-I86 HydrophobicContact CD2-CG2 3.7Å; F62-I86 HydrophobicContact CE1-CD1 3.93Å; F62-I86 HydrophobicContact CE2-CD1 4.15Å; F62-I86 HydrophobicContact CE2-CG2 4.47Å; F62-I86 HydrophobicContact CG-CB 3.68Å; F62-I86 HydrophobicContact CG-CD1 4.29Å; F62-I86 HydrophobicContact CG-CG2 3.54Å; F62-I86 HydrophobicContact CZ-CD1 3.95Å; F62-W92 AromaticContact CE2-NE1 3.97Å; F62-W92 AromaticContact CZ-CD1 3.85Å; F62-W92 HydrophobicContact CZ-CG 4.29Å; F62-H97 AromaticContact CD1-NE2 3.85Å; F62-H97 HydrophobicContact CE1-CB 4.25Å; F62-H97 AromaticContact CE1-CD2 3.61Å; F62-H97 AromaticContact CE1-CG 3.7Å; F62-H97 AromaticContact CE1-ND1 3.96Å; F62-H97 AromaticContact CE1-NE2 3.79Å; F62-A124 WeakPolarHBondContact CA-O 3.44Å; F62-A124 WeakPolarHBondContact CD2-O 3.44Å; F62-Y125 AromaticContact CD2-CD1 3.71Å; F62-Y125 HydrophobicContact CD2-CD1 3.71Å; F62-Y125 HydrophobicContact CD2-CD2 4.09Å; F62-Y125 AromaticContact CD2-CE1 3.8Å; F62-Y125 HydrophobicContact CD2-CE1 3.8Å; F62-Y125 HydrophobicContact CD2-CE2 4.15Å; F62-Y125 AromaticContact CD2-CG 3.89Å; F62-Y125 HydrophobicContact CD2-CG 3.89Å; F62-Y125 HydrophobicContact CE2-CD1 4.23Å; F62-Y125 HydrophobicContact CE2-CD2 4.03Å; F62-Y125 AromaticContact CE2-CE1 3.95Å; F62-Y125 HydrophobicContact CE2-CE1 3.95Å; F62-Y125 AromaticContact CE2-CE2 3.72Å; F62-Y125 HydrophobicContact CE2-CE2 3.72Å; F62-Y125 HydrophobicContact CE2-CG 4.29Å; F62-Y125 AromaticContact CE2-CZ 3.71Å
63	H	98.5	Very high	97.3	Very high	79 Å²	79	53.9 Å²	53.9	37%	0.366	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.2	165	-157.3	86.8	0	0	0	110.3	F65 W83 A124	H63-F65 HydrophobicContact CB-CE2 3.75Å; H63-F65 HydrophobicContact CB-CZ 4.01Å; H63-F65 AromaticContact CD2-CE1 3.55Å; H63-F65 AromaticContact CD2-CE2 3.61Å; H63-F65 AromaticContact CD2-CZ 3.33Å; H63-F65 WeakPolarHBondContact CD2-CZ 3.24Å; H63-F65 AromaticContact CG-CZ 3.92Å; H63-W83 HydrophobicContact CB-CD2 3.51Å; H63-W83 HydrophobicContact CB-CE3 3.75Å; H63-W83 HydrophobicContact CB-CG 3.91Å; H63-W83 HydrophobicContact CB-CH2 4.27Å; H63-W83 HydrophobicContact CB-CZ2 4.09Å; H63-W83 HydrophobicContact CB-CZ3 4.11Å; H63-A124 PolarHBondContact N-O 2.96Å; H63-A124 VanDerWaalsContact N-O 3.13Å; H63-A124 PolarHBondContact O-N 3.05Å
64	F	98.3	Very high	97.3	Very high	34 Å²	34	54 Å²	54	15%	0.149	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.3	177.1	176.8	-87.8	0	0	0	109.5	F62 W92 H97 P121	F62-F64 HydrophobicContact CE1-CB 3.89Å; F62-F64 HydrophobicContact CZ-CB 4.08Å; F64-W92 HydrophobicContact CD2-CD2 4.35Å; F64-W92 AromaticContact CD2-CE3 4Å; F64-W92 HydrophobicContact CD2-CE3 4Å; F64-W92 HydrophobicContact CE2-CD2 4.42Å; F64-W92 AromaticContact CE2-CE3 3.65Å; F64-W92 HydrophobicContact CE2-CE3 3.65Å; F64-W92 HydrophobicContact CE2-CZ3 4.09Å; F64-H97 HydrophobicContact CB-CB 4.05Å; F64-H97 HydrophobicContact CD2-CB 3.96Å; F64-H97 HydrophobicContact CG-CB 4.05Å; F64-P121 HydrophobicContact CE2-CB 3.83Å; F64-P121 HydrophobicContact CZ-CB 3.65Å; F64-P121 HydrophobicContact CZ-CG 4.34Å
65	F	98.2	Very high	97.3	Very high	22 Å²	22	51.8 Å²	51.8	10%	0.096	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.8	178.3	-61.4	-89.9	0	0	0	110	H63 H67 Q70 V71 P72 W83 P121 T122 A124	H63-F65 HydrophobicContact CB-CE2 3.75Å; H63-F65 HydrophobicContact CB-CZ 4.01Å; H63-F65 AromaticContact CD2-CE1 3.55Å; H63-F65 AromaticContact CD2-CE2 3.61Å; H63-F65 AromaticContact CD2-CZ 3.33Å; H63-F65 WeakPolarHBondContact CD2-CZ 3.24Å; H63-F65 AromaticContact CG-CZ 3.92Å; F65-H67 PolarHBondContact O-N 2.73Å; F65-Q70 HydrophobicContact CB-CB 4.18Å; F65-Q70 HydrophobicContact CD1-CB 3.69Å; F65-Q70 WeakPolarHBondContact CE1-O 3.23Å; F65-Q70 HydrophobicContact CG-CB 4.28Å; F65-V71 HydrophobicContact CB-CG2 4.44Å; F65-V71 HydrophobicContact CD2-CB 4.46Å; F65-V71 HydrophobicContact CD2-CG2 3.65Å; F65-V71 HydrophobicContact CE2-CB 4.45Å; F65-V71 HydrophobicContact CE2-CG1 4.45Å; F65-V71 HydrophobicContact CE2-CG2 4.06Å; F65-V71 HydrophobicContact CG-CG2 4.07Å; F65-P72 HydrophobicContact CZ-CG 4.43Å; F65-W83 HydrophobicContact CE2-CH2 4.06Å; F65-W83 HydrophobicContact CE2-CZ2 4.09Å; F65-W83 HydrophobicContact CZ-CH2 4.24Å; F65-W83 AromaticContact CZ-CZ2 3.81Å; F65-W83 HydrophobicContact CZ-CZ2 3.81Å; F65-P121 CarbonylContact O-C 3.51Å; F65-P121 WeakPolarHBondContact O-CA 3.21Å; F65-T122 PolarHBondContact N-O 3.16Å; F65-T122 PolarHBondContact O-N 2.96Å; F65-A124 HydrophobicContact CD2-CB 4.15Å; F65-A124 HydrophobicContact CE2-CB 3.75Å
66	D	96.7	Very high	97.3	Very high	101 Å²	101	50 Å²	50	54%	0.54	27%	0.265	S	S	.	.	S	Bend	trans	-77.9	-14.3	177.2	-64.1	-42.1	0	0	0	112.3	N120	D66-N120 CarbonylContact O-C 3.5Å; D66-N120 VanDerWaalsContact O-C 3.29Å; D66-N120 PolarHBondContact O-N 3.05Å
67	H	97.1	Very high	97.2	Very high	46 Å²	46	53.1 Å²	53.1	21%	0.213	29%	0.287	C	S	.	.	S	Bend	trans	-152.3	142.3	-176.4	-170.9	-75.6	0	0	0	111.8	F65 L69 Q70 S118 N120	F65-H67 PolarHBondContact O-N 2.73Å; H67-L69 VanDerWaalsContact C-N 3.33Å; H67-L69 WeakPolarHBondContact ND1-CB 3.44Å; H67-L69 PolarHBondContact ND1-N 2.71Å; H67-L69 PolarHBondContact O-N 2.76Å; H67-Q70 HydrophobicContact CB-CG 4.15Å; H67-Q70 WeakPolarHBondContact O-CB 3.19Å; H67-Q70 PolarHBondContact O-N 2.86Å; H67-S118 PolarHBondContact CD2-O 2.86Å; H67-S118 PolarHBondContact NE2-O 2.92Å; H67-N120 WeakPolarHBondContact CA-O 3.28Å
68	P	95.9	Very high	97.3	Very high	10 Å²	10	57.6 Å²	57.6	7%	0.065	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-58.8	-37	-177.4	23.6	-37.9	0	0	0	114.2	W16 Q70 V71 N120 T122 M190	W16-P68 HydrophobicContact CH2-CG 4.41Å; W16-P68 HydrophobicContact CZ2-CG 4.47Å; P68-Q70 PolarHBondContact O-N 2.86Å; P68-V71 WeakPolarHBondContact O-CB 3.46Å; P68-V71 WeakPolarHBondContact O-CG2 3.39Å; P68-V71 PolarHBondContact O-N 2.91Å; P68-V71 VanDerWaalsContact O-N 3.12Å; P68-N120 WeakPolarHBondContact CD-O 3.18Å; P68-T122 WeakPolarHBondContact CA-OG1 3.4Å; P68-T122 HydrophobicContact CB-CG2 4.47Å; P68-T122 WeakPolarHBondContact CD-OG1 3.46Å; P68-M190 HydrophobicContact CB-CE 3.83Å; P68-M190 HydrophobicContact CB-SD 4.09Å; P68-M190 HydrophobicContact CG-CE 3.58Å; P68-M190 HydrophobicContact CG-SD 4.48Å
69	L	95.1	Very high	97.3	Very high	154 Å²	154	59.8 Å²	59.8	81%	0.806	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-64.5	-15.1	175.8	-66.3	175.4	0	0	0	114.7	H67 V71	H67-L69 VanDerWaalsContact C-N 3.33Å; H67-L69 WeakPolarHBondContact ND1-CB 3.44Å; H67-L69 PolarHBondContact ND1-N 2.71Å; H67-L69 PolarHBondContact O-N 2.76Å; L69-V71 VanDerWaalsContact C-N 3.33Å
70	Q	97.4	Very high	97.3	Very high	103 Å²	103	55.8 Å²	55.8	48%	0.481	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-81.7	-16.4	175.5	-64.2	174.4	-14.5	0	0	112.2	F65 H67 P68 P72	F65-Q70 HydrophobicContact CB-CB 4.18Å; F65-Q70 HydrophobicContact CD1-CB 3.69Å; F65-Q70 WeakPolarHBondContact CE1-O 3.23Å; F65-Q70 HydrophobicContact CG-CB 4.28Å; H67-Q70 HydrophobicContact CB-CG 4.15Å; H67-Q70 WeakPolarHBondContact O-CB 3.19Å; H67-Q70 PolarHBondContact O-N 2.86Å; P68-Q70 PolarHBondContact O-N 2.86Å; Q70-P72 WeakPolarHBondContact O-CD 3.41Å
71	V	97.7	Very high	97	Very high	8 Å²	8	59.8 Å²	59.8	5%	0.048	32%	0.324	C	S	.	.	S	Bend	trans	-64.3	119.3	174.3	-176.6	0	0	0	0	108.3	F65 P68 L69 E73 F75 T122 A124	F65-V71 HydrophobicContact CB-CG2 4.44Å; F65-V71 HydrophobicContact CD2-CB 4.46Å; F65-V71 HydrophobicContact CD2-CG2 3.65Å; F65-V71 HydrophobicContact CE2-CB 4.45Å; F65-V71 HydrophobicContact CE2-CG1 4.45Å; F65-V71 HydrophobicContact CE2-CG2 4.06Å; F65-V71 HydrophobicContact CG-CG2 4.07Å; P68-V71 WeakPolarHBondContact O-CB 3.46Å; P68-V71 WeakPolarHBondContact O-CG2 3.39Å; P68-V71 PolarHBondContact O-N 2.91Å; P68-V71 VanDerWaalsContact O-N 3.12Å; L69-V71 VanDerWaalsContact C-N 3.33Å; V71-E73 PolarHBondContact O-N 2.81Å; V71-F75 HydrophobicContact CG1-CB 3.82Å; V71-F75 HydrophobicContact CG1-CD1 3.75Å; V71-F75 HydrophobicContact CG1-CD2 4.48Å; V71-F75 HydrophobicContact CG1-CE1 4.45Å; V71-F75 HydrophobicContact CG1-CG 3.75Å; V71-T122 HydrophobicContact CG2-CG2 3.68Å; V71-A124 HydrophobicContact CG1-CB 4.01Å; V71-A124 HydrophobicContact CG2-CB 4.4Å
72	P	97.2	Very high	96.9	Very high	52 Å²	52	64.8 Å²	64.8	34%	0.338	35%	0.351	S	S	.	.			trans	-56.8	140.4	-177.3	-25.4	33.7	0	0	0	112.1	F65 Q70 A74 F75 M80 W83	F65-P72 HydrophobicContact CZ-CG 4.43Å; Q70-P72 WeakPolarHBondContact O-CD 3.41Å; P72-A74 PolarHBondContact O-N 2.9Å; P72-F75 WeakPolarHBondContact O-CB 3.4Å; P72-F75 PolarHBondContact O-N 3.42Å; P72-M80 HydrophobicContact CB-CE 4.31Å; P72-W83 HydrophobicContact CG-CZ2 4.34Å
73	E	94.9	Very high	96.9	Very high	186 Å²	186	65.9 Å²	65.9	87%	0.869	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-57.5	-35.6	178.4	-68	-176	170.7	0	0	112.4	V71 F75	V71-E73 PolarHBondContact O-N 2.81Å; E73-F75 PolarHBondContact O-N 2.8Å
74	A	96.7	Very high	96.8	Very high	32 Å²	32	64 Å²	64	26%	0.264	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-66.4	-12.3	177.7	0	0	0	0	0	113.9	P72 T76 S77 E78 M80	P72-A74 PolarHBondContact O-N 2.9Å; A74-T76 PolarHBondContact O-N 2.86Å; A74-T76 VanDerWaalsContact O-N 3.08Å; A74-S77 PolarHBondContact O-N 2.92Å; A74-S77 PolarHBondContact O-OG 3.17Å; A74-E78 HydrophobicContact CB-CB 4.42Å; A74-E78 HydrophobicContact CB-CG 4.39Å; A74-E78 PolarHBondContact O-N 3.37Å; A74-M80 HydrophobicContact CB-CE 3.73Å
75	F	97.5	Very high	96.8	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-50.9	-34.9	179.1	161.2	-109.8	0	0	0	113.2	V71 P72 E73 M80 W83 A124 Y125 Q126 C186 R188	V71-F75 HydrophobicContact CG1-CB 3.82Å; V71-F75 HydrophobicContact CG1-CD1 3.75Å; V71-F75 HydrophobicContact CG1-CD2 4.48Å; V71-F75 HydrophobicContact CG1-CE1 4.45Å; V71-F75 HydrophobicContact CG1-CG 3.75Å; P72-F75 WeakPolarHBondContact O-CB 3.4Å; P72-F75 PolarHBondContact O-N 3.42Å; E73-F75 PolarHBondContact O-N 2.8Å; F75-M80 VanDerWaalsContact CA-CE 3.43Å; F75-M80 HydrophobicContact CB-CE 4.33Å; F75-W83 HydrophobicContact CB-CH2 4.29Å; F75-W83 AromaticContact CD2-CH2 3.32Å; F75-W83 HydrophobicContact CD2-CH2 3.32Å; F75-W83 HydrophobicContact CD2-CZ2 4.49Å; F75-W83 AromaticContact CD2-CZ3 3.48Å; F75-W83 HydrophobicContact CD2-CZ3 3.48Å; F75-W83 VanDerWaalsContact CD2-CZ3 3.48Å; F75-W83 AromaticContact CE2-CH2 3.97Å; F75-W83 HydrophobicContact CE2-CH2 3.97Å; F75-W83 AromaticContact CE2-CZ3 3.7Å; F75-W83 HydrophobicContact CE2-CZ3 3.7Å; F75-W83 HydrophobicContact CG-CH2 4.11Å; F75-A124 HydrophobicContact CD2-CB 3.98Å; F75-A124 HydrophobicContact CE1-CB 4.49Å; F75-A124 HydrophobicContact CE2-CB 3.6Å; F75-A124 HydrophobicContact CZ-CB 3.88Å; F75-Y125 WeakPolarHBondContact CE2-O 3.42Å; F75-Y125 WeakPolarHBondContact CZ-O 3.37Å; F75-Q126 HydrophobicContact CD2-CG 3.85Å; F75-Q126 HydrophobicContact CE2-CG 3.53Å; F75-Q126 PolarHBondContact O-NE2 2.91Å; F75-C186 HydrophobicContact CD1-CB 4.45Å; F75-C186 HydrophobicContact CE1-CB 3.84Å; F75-C186 HydrophobicContact CE2-CB 4Å; F75-C186 HydrophobicContact CZ-CB 3.61Å; F75-C186 PolarHBondContact O-SG 3.01Å; F75-R188 HydrophobicContact CE1-CB 4.16Å
76	T	97.3	Very high	96.8	Very high	22 Å²	22	66.7 Å²	66.7	14%	0.135	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-80.9	-25	-175.3	61.5	0	0	0	0	112.4	A74 Y154 G157	A74-T76 PolarHBondContact O-N 2.86Å; A74-T76 VanDerWaalsContact O-N 3.08Å; T76-Y154 HydrophobicContact CG2-CD1 3.53Å; T76-Y154 HydrophobicContact CG2-CD2 3.82Å; T76-Y154 HydrophobicContact CG2-CE1 3.7Å; T76-Y154 HydrophobicContact CG2-CE2 3.98Å; T76-Y154 HydrophobicContact CG2-CG 3.6Å; T76-G157 WeakPolarHBondContact O-CA 3.45Å; T76-G157 PolarHBondContact O-N 3.36Å
77	S	96.6	Very high	96.8	Very high	66 Å²	66	64 Å²	64	46%	0.462	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-22.2	-170.2	57.1	0	0	0	0	114.9	A74	A74-S77 PolarHBondContact O-N 2.92Å; A74-S77 PolarHBondContact O-OG 3.17Å
78	E	97.3	Very high	96.9	Very high	121 Å²	121	61.9 Å²	61.9	57%	0.565	35%	0.348	S	S	*	.	S	Bend	trans	-123.4	136.5	-175.4	-62.2	-177.3	-165	0	0	110.9	A74 M80 Q126	A74-E78 HydrophobicContact CB-CB 4.42Å; A74-E78 HydrophobicContact CB-CG 4.39Å; A74-E78 PolarHBondContact O-N 3.37Å; E78-M80 PolarHBondContact O-N 3.07Å; E78-Q126 PolarHBondContact O-NE2 2.88Å
79	L	97.6	Very high	97	Very high	75 Å²	75	63.2 Å²	63.2	39%	0.393	36%	0.356	S	S	.	.			trans	-69.1	121.1	172.4	-177	76.3	0	0	0	109.5	A81 I128 L184	L79-A81 PolarHBondContact O-N 2.85Å; L79-A81 VanDerWaalsContact O-N 3.1Å; L79-I128 HydrophobicContact CD1-CD1 4Å; L79-I128 HydrophobicContact CD1-CG1 4.14Å; L79-I128 HydrophobicContact CD2-CD1 3.82Å; L79-I128 HydrophobicContact CG-CD1 4.45Å; L79-L184 HydrophobicContact CD1-CD1 3.85Å
80	M	97.7	Very high	97.1	Very high	23 Å²	23	56.1 Å²	56.1	11%	0.113	32%	0.32	C	S	.	.			trans	-83.1	84.8	176.4	-58.6	-63.6	172	0	0	109.1	P72 A74 F75 E78 D82 W83	P72-M80 HydrophobicContact CB-CE 4.31Å; A74-M80 HydrophobicContact CB-CE 3.73Å; F75-M80 VanDerWaalsContact CA-CE 3.43Å; F75-M80 HydrophobicContact CB-CE 4.33Å; E78-M80 PolarHBondContact O-N 3.07Å; M80-D82 PolarHBondContact O-N 2.8Å; M80-W83 HydrophobicContact CB-CB 4.27Å; M80-W83 HydrophobicContact CB-CD2 3.32Å; M80-W83 VanDerWaalsContact CB-CE2 3.45Å; M80-W83 HydrophobicContact CB-CE3 3.82Å; M80-W83 HydrophobicContact CB-CG 3.52Å; M80-W83 HydrophobicContact CB-CH2 4.5Å; M80-W83 HydrophobicContact CB-CZ2 4.06Å; M80-W83 HydrophobicContact CB-CZ3 4.38Å; M80-W83 HydrophobicContact CG-CD2 3.85Å; M80-W83 HydrophobicContact CG-CE3 4.16Å; M80-W83 HydrophobicContact CG-CG 4.48Å; M80-W83 HydrophobicContact CG-CH2 3.97Å; M80-W83 HydrophobicContact CG-CZ2 3.61Å; M80-W83 HydrophobicContact CG-CZ3 4.22Å; M80-W83 PolarHBondContact O-N 3Å; M80-W83 HydrophobicContact SD-CZ2 4.41Å
81	A	93.5	Very high	97.1	Very high	86 Å²	86	51.2 Å²	51.2	71%	0.711	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.1	-173.6	0	0	0	0	0	114.1	L79	L79-A81 PolarHBondContact O-N 2.85Å; L79-A81 VanDerWaalsContact O-N 3.1Å
82	D	95.6	Very high	97.1	Very high	138 Å²	138	50.9 Å²	50.9	74%	0.738	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.9	178.5	62.9	-46.6	0	0	0	113.5	M80	M80-D82 PolarHBondContact O-N 2.8Å
83	W	97.6	Very high	97.1	Very high	25 Å²	25	49.3 Å²	49.3	10%	0.095	28%	0.283	C	S	.	.			trans	-74.1	159.4	178	-72.8	9.8	0	0	0	112.6	H63 F65 P72 F75 M80 A124 Q126	H63-W83 HydrophobicContact CB-CD2 3.51Å; H63-W83 HydrophobicContact CB-CE3 3.75Å; H63-W83 HydrophobicContact CB-CG 3.91Å; H63-W83 HydrophobicContact CB-CH2 4.27Å; H63-W83 HydrophobicContact CB-CZ2 4.09Å; H63-W83 HydrophobicContact CB-CZ3 4.11Å; F65-W83 HydrophobicContact CE2-CH2 4.06Å; F65-W83 HydrophobicContact CE2-CZ2 4.09Å; F65-W83 HydrophobicContact CZ-CH2 4.24Å; F65-W83 AromaticContact CZ-CZ2 3.81Å; F65-W83 HydrophobicContact CZ-CZ2 3.81Å; P72-W83 HydrophobicContact CG-CZ2 4.34Å; F75-W83 HydrophobicContact CB-CH2 4.29Å; F75-W83 AromaticContact CD2-CH2 3.32Å; F75-W83 HydrophobicContact CD2-CH2 3.32Å; F75-W83 HydrophobicContact CD2-CZ2 4.49Å; F75-W83 AromaticContact CD2-CZ3 3.48Å; F75-W83 HydrophobicContact CD2-CZ3 3.48Å; F75-W83 VanDerWaalsContact CD2-CZ3 3.48Å; F75-W83 AromaticContact CE2-CH2 3.97Å; F75-W83 HydrophobicContact CE2-CH2 3.97Å; F75-W83 AromaticContact CE2-CZ3 3.7Å; F75-W83 HydrophobicContact CE2-CZ3 3.7Å; F75-W83 HydrophobicContact CG-CH2 4.11Å; M80-W83 HydrophobicContact CB-CB 4.27Å; M80-W83 HydrophobicContact CB-CD2 3.32Å; M80-W83 VanDerWaalsContact CB-CE2 3.45Å; M80-W83 HydrophobicContact CB-CE3 3.82Å; M80-W83 HydrophobicContact CB-CG 3.52Å; M80-W83 HydrophobicContact CB-CH2 4.5Å; M80-W83 HydrophobicContact CB-CZ2 4.06Å; M80-W83 HydrophobicContact CB-CZ3 4.38Å; M80-W83 HydrophobicContact CG-CD2 3.85Å; M80-W83 HydrophobicContact CG-CE3 4.16Å; M80-W83 HydrophobicContact CG-CG 4.48Å; M80-W83 HydrophobicContact CG-CH2 3.97Å; M80-W83 HydrophobicContact CG-CZ2 3.61Å; M80-W83 HydrophobicContact CG-CZ3 4.22Å; M80-W83 PolarHBondContact O-N 3Å; M80-W83 HydrophobicContact SD-CZ2 4.41Å; W83-A124 HydrophobicContact CH2-CB 3.58Å; W83-A124 HydrophobicContact CZ3-CB 3.6Å; W83-A124 WeakPolarHBondContact CZ3-O 3.19Å; W83-Q126 HydrophobicContact CZ3-CG 4.3Å
84	G	97.5	Very high	97.2	Very high	41 Å²	41	42.6 Å²	42.6	42%	0.423	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-164.4	173.3	0	0	0	0	0	111.9	N61 F62	N61-G84 CarbonylContact C-O 3.58Å; N61-G84 WeakPolarHBondContact CA-O 3.41Å; F62-G84 PolarHBondContact N-O 3.14Å; F62-G84 PolarHBondContact O-N 3.28Å
85	H	97.4	Very high	97.2	Very high	111 Å²	111	44.7 Å²	44.7	51%	0.514	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.6	176.4	-56.7	-66.1	0	0	0	111.5	W60 N61	W60-H85 CarbonylContact O-C 3.57Å; W60-H85 WeakPolarHBondContact O-CA 3.35Å; N61-H85 PolarHBondContact OD1-CE1 3.26Å; N61-H85 PolarHBondContact OD1-ND1 3.04Å
86	I	98.2	Very high	97.1	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150	168.4	-158.3	177.6	0	0	0	109.1	W60 F62 E95 Y125	W60-I86 HydrophobicContact CB-CG2 4.25Å; W60-I86 PolarHBondContact N-O 2.67Å; W60-I86 PolarHBondContact O-N 2.78Å; F62-I86 HydrophobicContact CB-CB 3.71Å; F62-I86 HydrophobicContact CB-CG2 3.49Å; F62-I86 VanDerWaalsContact CB-CG2 3.49Å; F62-I86 HydrophobicContact CD1-CB 3.85Å; F62-I86 HydrophobicContact CD1-CD1 4.1Å; F62-I86 HydrophobicContact CD1-CG1 4.41Å; F62-I86 HydrophobicContact CD1-CG2 4.22Å; F62-I86 HydrophobicContact CD2-CB 4.25Å; F62-I86 HydrophobicContact CD2-CD1 4.33Å; F62-I86 HydrophobicContact CD2-CG2 3.7Å; F62-I86 HydrophobicContact CE1-CD1 3.93Å; F62-I86 HydrophobicContact CE2-CD1 4.15Å; F62-I86 HydrophobicContact CE2-CG2 4.47Å; F62-I86 HydrophobicContact CG-CB 3.68Å; F62-I86 HydrophobicContact CG-CD1 4.29Å; F62-I86 HydrophobicContact CG-CG2 3.54Å; F62-I86 HydrophobicContact CZ-CD1 3.95Å; I86-E95 WeakPolarHBondContact CA-OE2 3.36Å; I86-E95 HydrophobicContact CG1-CB 4.38Å; I86-E95 WeakPolarHBondContact CG1-OE2 3.19Å; I86-Y125 HydrophobicContact CD1-CE1 4.33Å; I86-Y125 HydrophobicContact CG2-CD1 3.68Å; I86-Y125 HydrophobicContact CG2-CE1 3.42Å; I86-Y125 VanDerWaalsContact CG2-CE1 3.42Å
87	T	98.1	Very high	97	Very high	44 Å²	44	49.5 Å²	49.5	27%	0.27	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	145.8	169.5	-44.3	0	0	0	0	110.6	G58 Q59 A90 E95	G58-T87 CarbonylContact O-C 3.27Å; Q59-T87 PolarHBondContact NE2-OG1 2.99Å; T87-A90 WeakPolarHBondContact O-CB 3.42Å; T87-E95 WeakPolarHBondContact CB-OE1 3.48Å; T87-E95 PolarHBondContact N-OE2 3.39Å; T87-E95 PolarHBondContact OG1-OE1 3.41Å
88	V	98.5	Very high	96.9	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.4	166.5	172.7	0	0	0	0	107.8	S57 G58 W60 Y125 I209 V213	S57-V88 CarbonylContact C-O 3.57Å; S57-V88 VanDerWaalsContact CA-O 3.29Å; S57-V88 WeakPolarHBondContact CA-O 3.25Å; S57-V88 WeakPolarHBondContact CB-O 3.2Å; G58-V88 PolarHBondContact N-O 2.85Å; G58-V88 PolarHBondContact O-N 2.89Å; W60-V88 HydrophobicContact CB-CG2 4.48Å; W60-V88 VanDerWaalsContact CD1-CG2 3.48Å; W60-V88 HydrophobicContact CD2-CG2 4.21Å; W60-V88 HydrophobicContact CG-CB 4.5Å; W60-V88 HydrophobicContact CG-CG2 3.86Å; V88-Y125 HydrophobicContact CG2-CD1 4.1Å; V88-Y125 HydrophobicContact CG2-CE1 3.86Å; V88-I209 HydrophobicContact CG1-CB 4Å; V88-I209 HydrophobicContact CG1-CG2 3.47Å; V88-I209 VanDerWaalsContact CG1-CG2 3.47Å; V88-I209 HydrophobicContact CG2-CB 4.31Å; V88-I209 HydrophobicContact CG2-CD1 4.43Å; V88-V213 HydrophobicContact CG1-CG2 4.03Å
89	P	98.3	Very high	96.7	Very high	38 Å²	38	51 Å²	51	25%	0.247	30%	0.303	C	S	.	.	S	Bend	cis	-72.6	141.7	-1.1	28.9	-34.2	0	0	0	113.5	I209 F210 A363	P89-I209 CarbonylContact C-O 3.49Å; P89-I209 WeakPolarHBondContact CA-O 3.28Å; P89-F210 VanDerWaalsContact CB-O 3.24Å; P89-F210 WeakPolarHBondContact CB-O 3.33Å; P89-A363 HydrophobicContact CB-CB 4.06Å
90	A	97.6	Very high	96.6	Very high	5 Å²	5	47.9 Å²	47.9	4%	0.041	29%	0.286	C	S	.	.			trans	-162.4	158.2	168.9	0	0	0	0	0	111.6	T87 E95 I209	T87-A90 WeakPolarHBondContact O-CB 3.42Å; A90-E95 HydrophobicContact CB-CG 4.36Å; A90-I209 PolarHBondContact N-O 3.13Å; A90-I209 CarbonylContact O-C 3.55Å
91	M	97.6	Very high	96.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	29%	0.288	C	S	.	.			trans	-91	136.5	164.3	-51.9	-49.5	-56.5	0	0	109.5	Q93 M94 S206 A207 F210 K360 R362	M91-Q93 VanDerWaalsContact C-N 3.28Å; M91-Q93 PolarHBondContact O-N 3.09Å; M91-M94 HydrophobicContact CB-CB 4.26Å; M91-M94 HydrophobicContact CB-CG 3.72Å; M91-M94 HydrophobicContact CG-CG 4.26Å; M91-M94 PolarHBondContact O-N 3.1Å; M91-M94 VanDerWaalsContact O-N 3.11Å; M91-S206 WeakPolarHBondContact CE-O 3.47Å; M91-S206 WeakPolarHBondContact CE-OG 3.36Å; M91-A207 VanDerWaalsContact CE-C 3.49Å; M91-A207 VanDerWaalsContact CE-N 3.34Å; M91-F210 HydrophobicContact CE-CB 4.45Å; M91-F210 HydrophobicContact SD-CB 3.3Å; M91-F210 WeakPolarHBondContact SD-CB 3.17Å; M91-F210 HydrophobicContact SD-CG 4.14Å; M91-K360 WeakPolarHBondContact CG-O 3.49Å; M91-R362 HydrophobicContact SD-CB 4.18Å
92	W	97.5	Very high	96.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-53	-47.1	-179.7	-58.4	-20.2	0	0	0	112.6	F62 F64 M94 E95 G96 H97 P121 Y125 V189 Q191 A207 G208	F62-W92 AromaticContact CE2-NE1 3.97Å; F62-W92 AromaticContact CZ-CD1 3.85Å; F62-W92 HydrophobicContact CZ-CG 4.29Å; F64-W92 HydrophobicContact CD2-CD2 4.35Å; F64-W92 AromaticContact CD2-CE3 4Å; F64-W92 HydrophobicContact CD2-CE3 4Å; F64-W92 HydrophobicContact CE2-CD2 4.42Å; F64-W92 AromaticContact CE2-CE3 3.65Å; F64-W92 HydrophobicContact CE2-CE3 3.65Å; F64-W92 HydrophobicContact CE2-CZ3 4.09Å; W92-M94 PolarHBondContact O-N 2.92Å; W92-E95 CarbonylContact O-C 3.58Å; W92-E95 PolarHBondContact O-N 3.35Å; W92-G96 PolarHBondContact O-N 2.97Å; W92-H97 CarbonylContact C-O 3.55Å; W92-H97 HydrophobicContact CB-CB 3.92Å; W92-H97 WeakPolarHBondContact CB-O 3.17Å; W92-H97 WeakPolarHBondContact O-CB 3.47Å; W92-H97 PolarHBondContact O-N 3.34Å; W92-P121 HydrophobicContact CZ3-CB 4.14Å; W92-Y125 HydrophobicContact CZ2-CE2 4.48Å; W92-Y125 AromaticContact NE1-CE2 3.61Å; W92-Y125 AromaticContact NE1-CZ 3.38Å; W92-Y125 PolarHBondContact NE1-OH 3.21Å; W92-V189 HydrophobicContact CH2-CB 4.37Å; W92-V189 HydrophobicContact CH2-CG1 4.07Å; W92-V189 WeakPolarHBondContact CH2-O 3.34Å; W92-V189 HydrophobicContact CZ2-CB 3.69Å; W92-V189 HydrophobicContact CZ2-CG1 3.52Å; W92-Q191 HydrophobicContact CH2-CB 4.41Å; W92-Q191 HydrophobicContact CZ3-CB 3.93Å; W92-A207 HydrophobicContact CD2-CB 4.01Å; W92-A207 HydrophobicContact CE3-CB 3.57Å; W92-A207 HydrophobicContact CH2-CB 3.68Å; W92-A207 HydrophobicContact CZ2-CB 4.07Å; W92-A207 HydrophobicContact CZ3-CB 3.45Å; W92-A207 VanDerWaalsContact CZ3-CB 3.45Å; W92-A207 PolarHBondContact N-O 2.79Å; W92-G208 VanDerWaalsContact NE1-CA 3.3Å
93	Q	96.8	Very high	96.8	Very high	20 Å²	20	37.7 Å²	37.7	9%	0.093	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-63.9	-27.5	-174.4	-66.9	81.1	2	0	0	111.8	M91 E95 G96 H97 K99 L100 A207	M91-Q93 VanDerWaalsContact C-N 3.28Å; M91-Q93 PolarHBondContact O-N 3.09Å; Q93-E95 VanDerWaalsContact C-N 3.34Å; Q93-G96 PolarHBondContact O-N 2.91Å; Q93-H97 WeakPolarHBondContact CA-O 3.49Å; Q93-H97 PolarHBondContact N-O 2.87Å; Q93-H97 VanDerWaalsContact N-O 3.12Å; Q93-K99 WeakPolarHBondContact CG-O 3.3Å; Q93-L100 HydrophobicContact CB-CB 3.99Å; Q93-L100 HydrophobicContact CB-CD1 3.63Å; Q93-L100 HydrophobicContact CB-CG 4.35Å; Q93-L100 HydrophobicContact CG-CB 4.16Å; Q93-L100 HydrophobicContact CG-CD1 3.96Å; Q93-A207 PolarHBondContact OE1-O 3Å
94	M	96.4	Very high	96.6	Very high	44 Å²	44	37.7 Å²	37.7	22%	0.217	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-80.2	-16.9	178.9	-57	-60.3	-61.3	0	0	112.7	M91 W92 L100 R359 I562	M91-M94 HydrophobicContact CB-CB 4.26Å; M91-M94 HydrophobicContact CB-CG 3.72Å; M91-M94 HydrophobicContact CG-CG 4.26Å; M91-M94 PolarHBondContact O-N 3.1Å; M91-M94 VanDerWaalsContact O-N 3.11Å; W92-M94 PolarHBondContact O-N 2.92Å; M94-L100 HydrophobicContact SD-CD2 4.46Å; M94-R359 VanDerWaalsContact CE-C 3.42Å; M94-R359 VanDerWaalsContact CE-O 3.28Å; M94-R359 WeakPolarHBondContact CE-O 3.48Å; M94-I562 HydrophobicContact CE-CD1 4.11Å; M94-I562 HydrophobicContact CE-CG2 3.55Å; M94-I562 HydrophobicContact SD-CD1 4.25Å; M94-I562 HydrophobicContact SD-CG2 4.21Å
95	E	96.3	Very high	96.3	Very high	76 Å²	76	38.2 Å²	38.2	36%	0.355	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-108.5	18.5	173.3	-61.5	-160.6	172.9	0	0	112.4	I86 T87 A90 W92 Q93	I86-E95 WeakPolarHBondContact CA-OE2 3.36Å; I86-E95 HydrophobicContact CG1-CB 4.38Å; I86-E95 WeakPolarHBondContact CG1-OE2 3.19Å; T87-E95 WeakPolarHBondContact CB-OE1 3.48Å; T87-E95 PolarHBondContact N-OE2 3.39Å; T87-E95 PolarHBondContact OG1-OE1 3.41Å; A90-E95 HydrophobicContact CB-CG 4.36Å; W92-E95 CarbonylContact O-C 3.58Å; W92-E95 PolarHBondContact O-N 3.35Å; Q93-E95 VanDerWaalsContact C-N 3.34Å
96	G	94.9	Very high	96	Very high	69 Å²	69	33.7 Å²	33.7	71%	0.711	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.4	18.3	171.8	0	0	0	0	0	115.4	W92 Q93	W92-G96 PolarHBondContact O-N 2.97Å; Q93-G96 PolarHBondContact O-N 2.91Å
97	H	96.6	Very high	95.8	Very high	54 Å²	54	34.5 Å²	34.5	25%	0.25	20%	0.2	C	C	.	.			trans	-114.4	126.9	-179.6	-61.3	-71.9	0	0	0	112.2	F62 F64 W92 Q93	F62-H97 AromaticContact CD1-NE2 3.85Å; F62-H97 HydrophobicContact CE1-CB 4.25Å; F62-H97 AromaticContact CE1-CD2 3.61Å; F62-H97 AromaticContact CE1-CG 3.7Å; F62-H97 AromaticContact CE1-ND1 3.96Å; F62-H97 AromaticContact CE1-NE2 3.79Å; F64-H97 HydrophobicContact CB-CB 4.05Å; F64-H97 HydrophobicContact CD2-CB 3.96Å; F64-H97 HydrophobicContact CG-CB 4.05Å; W92-H97 CarbonylContact C-O 3.55Å; W92-H97 HydrophobicContact CB-CB 3.92Å; W92-H97 WeakPolarHBondContact CB-O 3.17Å; W92-H97 WeakPolarHBondContact O-CB 3.47Å; W92-H97 PolarHBondContact O-N 3.34Å; Q93-H97 WeakPolarHBondContact CA-O 3.49Å; Q93-H97 PolarHBondContact N-O 2.87Å; Q93-H97 VanDerWaalsContact N-O 3.12Å
98	G	94.5	Very high	95.7	Very high	37 Å²	37	33.7 Å²	33.7	38%	0.381	20%	0.196	S	C	.	.	S	Bend	trans	78.3	-166.5	-177.3	0	0	0	0	0	113.6
99	K	93.5	Very high	95.5	Very high	181 Å²	181	34.5 Å²	34.5	79%	0.787	20%	0.199	S	C	*	.			trans	-118.6	131	179.9	-62.1	179.2	-175.9	175.4	0	109.2	Q93	Q93-K99 WeakPolarHBondContact CG-O 3.3Å
100	L	95.2	Very high	95.4	Very high	10 Å²	10	38 Å²	38	5%	0.052	22%	0.222	C	C	.	.			trans	-85.4	141.5	172.5	-162.5	68.8	0	0	0	108.6	Q93 M94 W204 I562 Y579	Q93-L100 HydrophobicContact CB-CB 3.99Å; Q93-L100 HydrophobicContact CB-CD1 3.63Å; Q93-L100 HydrophobicContact CB-CG 4.35Å; Q93-L100 HydrophobicContact CG-CB 4.16Å; Q93-L100 HydrophobicContact CG-CD1 3.96Å; M94-L100 HydrophobicContact SD-CD2 4.46Å; L100-W204 HydrophobicContact CD1-CB 4.17Å; L100-W204 HydrophobicContact CD1-CE3 4.15Å; L100-W204 HydrophobicContact CD2-CD2 3.87Å; L100-W204 HydrophobicContact CD2-CE3 3.45Å; L100-W204 VanDerWaalsContact CD2-CE3 3.45Å; L100-W204 HydrophobicContact CD2-CH2 4.09Å; L100-W204 HydrophobicContact CD2-CZ2 4.48Å; L100-W204 HydrophobicContact CD2-CZ3 3.57Å; L100-W204 HydrophobicContact CG-CD2 4.1Å; L100-W204 HydrophobicContact CG-CE3 3.38Å; L100-W204 HydrophobicContact CG-CZ3 3.75Å; L100-I562 HydrophobicContact CD2-CG1 4.24Å; L100-Y579 HydrophobicContact CB-CD1 4.29Å; L100-Y579 HydrophobicContact CB-CD2 4.44Å; L100-Y579 HydrophobicContact CB-CG 4.19Å; L100-Y579 HydrophobicContact CD2-CD2 4.13Å; L100-Y579 HydrophobicContact CD2-CE1 4.34Å; L100-Y579 HydrophobicContact CD2-CE2 3.76Å
101	Q	96	Very high	95.3	Very high	32 Å²	32	40 Å²	40	15%	0.15	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.6	178.8	175.5	160.7	18.9	0	0	109.5	P108 W205 D581 P583	Q101-P108 VanDerWaalsContact CD-CB 3.41Å; Q101-P108 HydrophobicContact CG-CB 4.28Å; Q101-P108 VanDerWaalsContact OE1-CB 3.28Å; Q101-W205 HydrophobicContact CB-CB 4.39Å; Q101-W205 WeakPolarHBondContact O-CB 3.4Å; Q101-W205 PolarHBondContact O-N 3.33Å; Q101-D581 HydrophobicContact CB-CB 3.91Å; Q101-D581 HydrophobicContact CG-CB 3.9Å; Q101-P583 PolarHBondContact NE2-O 3.28Å
102	Y	97.5	Very high	95.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.4	177	173.5	-112.2	0	0	0	111.1	D202 W204 D581 N584 N585 Y586 F588 C589	Y102-D202 WeakPolarHBondContact CE2-OD1 3.38Å; Y102-D202 PolarHBondContact OH-OD1 2.97Å; Y102-W204 VanDerWaalsContact CB-CE3 3.47Å; Y102-D581 PolarHBondContact N-OD2 3.4Å; Y102-N584 WeakPolarHBondContact O-CA 3.23Å; Y102-N584 WeakPolarHBondContact O-CB 3.45Å; Y102-N585 HydrophobicContact CD1-CB 4.16Å; Y102-N585 HydrophobicContact CE1-CB 3.67Å; Y102-N585 PolarHBondContact O-N 2.72Å; Y102-Y586 WeakPolarHBondContact CD1-O 3.46Å; Y102-F588 HydrophobicContact CE1-CB 3.93Å; Y102-F588 WeakPolarHBondContact OH-CB 3.13Å; Y102-F588 WeakPolarHBondContact OH-CD1 3.49Å; Y102-C589 HydrophobicContact CD1-CB 4.23Å; Y102-C589 HydrophobicContact CD2-CB 4.11Å; Y102-C589 HydrophobicContact CE1-CB 3.71Å; Y102-C589 HydrophobicContact CE2-CB 3.61Å; Y102-C589 HydrophobicContact CG-CB 4.41Å; Y102-C589 VanDerWaalsContact CZ-CB 3.4Å; Y102-C589 PolarHBondContact OH-N 3.35Å; Y102-C589 VanDerWaalsContact OH-N 3.11Å
103	T	96.4	Very high	95.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.3	167.5	57	0	0	0	0	108	G106 W205 P583 N585	T103-G106 WeakPolarHBondContact CB-O 3.4Å; T103-G106 PolarHBondContact OG1-O 3.25Å; T103-W205 PolarHBondContact OG1-NE1 2.8Å; T103-P583 HydrophobicContact CG2-CG 4.48Å; T103-N585 WeakPolarHBondContact CA-OD1 3.38Å
104	D	93.5	Very high	94.9	Very high	25 Å²	25	47 Å²	47	13%	0.134	27%	0.272	C	S	.	.	S	Bend	trans	-84.3	-60	176	134.6	44.4	0	0	0	109.6	D202 N585 F588	D104-D202 WeakPolarHBondContact CA-OD1 3.32Å; D104-D202 HydrophobicContact CB-CB 4.49Å; D104-D202 WeakPolarHBondContact CB-OD1 3.31Å; D104-N585 HydrophobicContact CB-CB 4.14Å; D104-N585 VanDerWaalsContact N-CG 3.33Å; D104-N585 PolarHBondContact N-OD1 2.88Å; D104-F588 HydrophobicContact CB-CD1 3.56Å; D104-F588 HydrophobicContact CB-CE1 3.86Å; D104-F588 HydrophobicContact CB-CG 4.37Å; D104-F588 VanDerWaalsContact CG-CE1 3.48Å
105	E	90.9	Very high	94.9	Very high	51 Å²	51	49.4 Å²	49.4	24%	0.238	28%	0.282	C	S	.	.	S	Bend	trans	-101.8	-31	-176.9	-174.3	-169.1	164.2	0	0	114.5	H415 G416 A418 N419	E105-H415 HydrophobicContact CG-CB 4.49Å; E105-G416 WeakPolarHBondContact O-CA 3.28Å; E105-G416 PolarHBondContact O-N 2.78Å; E105-A418 VanDerWaalsContact OE1-CB 3.27Å; E105-A418 WeakPolarHBondContact OE1-CB 3.36Å; E105-N419 WeakPolarHBondContact CG-ND2 3.48Å; E105-N419 PolarHBondContact OE1-N 2.88Å; E105-N419 PolarHBondContact OE1-ND2 3.03Å
106	G	90.9	Very high	94.9	Very high	17 Å²	17	46.4 Å²	46.4	18%	0.175	27%	0.269	C	S	.	.			trans	-93.9	125.3	-162.2	0	0	0	0	0	114.8	T103	T103-G106 WeakPolarHBondContact CB-O 3.4Å; T103-G106 PolarHBondContact OG1-O 3.25Å
107	F	95.8	Very high	94.9	Very high	16 Å²	16	44.7 Å²	44.7	7%	0.07	25%	0.245	C	C	.	.			trans	-52	131.9	165.5	-63.6	-69.5	0	0	0	111.4	F109 I111 Y197 D200 W205 F417	F107-F109 HydrophobicContact CB-CE2 4.44Å; F107-F109 HydrophobicContact CB-CZ 4.41Å; F107-F109 HydrophobicContact CD1-CZ 4.02Å; F107-F109 HydrophobicContact CG-CZ 4.47Å; F107-F109 PolarHBondContact O-N 2.65Å; F107-I111 HydrophobicContact CD2-CD1 3.73Å; F107-I111 HydrophobicContact CD2-CG1 3.55Å; F107-I111 HydrophobicContact CE2-CD1 4.2Å; F107-I111 HydrophobicContact CE2-CG1 4.19Å; F107-I111 HydrophobicContact CG-CG1 4.37Å; F107-Y197 HydrophobicContact CD1-CD1 4.45Å; F107-Y197 AromaticContact CE1-CD1 3.96Å; F107-Y197 HydrophobicContact CE1-CD1 3.96Å; F107-Y197 HydrophobicContact CE2-CD1 4.03Å; F107-Y197 AromaticContact CZ-CD1 3.73Å; F107-Y197 HydrophobicContact CZ-CD1 3.73Å; F107-D200 HydrophobicContact CD1-CB 4.36Å; F107-D200 HydrophobicContact CE1-CB 3.57Å; F107-D200 HydrophobicContact CZ-CB 3.85Å; F107-D200 WeakPolarHBondContact CZ-OD2 3.38Å; F107-W205 HydrophobicContact CD1-CH2 4.28Å; F107-W205 HydrophobicContact CD1-CZ2 4.39Å; F107-F417 HydrophobicContact CE2-CD2 4.16Å; F107-F417 HydrophobicContact CE2-CE2 4.04Å; F107-F417 HydrophobicContact CE2-CZ 4.39Å; F107-F417 HydrophobicContact CZ-CD2 4.35Å; F107-F417 HydrophobicContact CZ-CE2 4.01Å
108	P	94.5	Very high	94.8	Very high	27 Å²	27	46.5 Å²	46.5	18%	0.175	26%	0.263	C	S	.	.	S	Bend	trans	-76.5	9.7	-178.8	30.6	-33.9	0	0	0	112.8	Q101 W192 W205	Q101-P108 VanDerWaalsContact CD-CB 3.41Å; Q101-P108 HydrophobicContact CG-CB 4.28Å; Q101-P108 VanDerWaalsContact OE1-CB 3.28Å; P108-W192 HydrophobicContact CG-CH2 3.6Å; P108-W192 HydrophobicContact CG-CZ2 4.12Å; P108-W192 HydrophobicContact CG-CZ3 4.37Å; P108-W205 VanDerWaalsContact CD-CE2 3.41Å; P108-W205 HydrophobicContact CG-CD2 4.02Å; P108-W205 HydrophobicContact CG-CG 3.97Å; P108-W205 HydrophobicContact CG-CZ2 4.4Å
109	F	95.2	Very high	94.7	Very high	19 Å²	19	50.4 Å²	50.4	8%	0.083	28%	0.276	C	S	.	.	S	Bend	trans	-142.3	161.6	179.7	55.2	-96.6	0	0	0	111.2	F107 I111 P117 W192 T196 Y197	F107-F109 HydrophobicContact CB-CE2 4.44Å; F107-F109 HydrophobicContact CB-CZ 4.41Å; F107-F109 HydrophobicContact CD1-CZ 4.02Å; F107-F109 HydrophobicContact CG-CZ 4.47Å; F107-F109 PolarHBondContact O-N 2.65Å; F109-I111 PolarHBondContact O-N 3.24Å; F109-P117 HydrophobicContact CB-CG 3.41Å; F109-P117 VanDerWaalsContact CB-CG 3.41Å; F109-P117 HydrophobicContact CD1-CG 3.96Å; F109-P117 HydrophobicContact CD2-CG 4.24Å; F109-P117 HydrophobicContact CG-CG 3.61Å; F109-W192 HydrophobicContact CD1-CD2 4.35Å; F109-W192 HydrophobicContact CD1-CE3 4.34Å; F109-W192 HydrophobicContact CD1-CH2 4.42Å; F109-W192 HydrophobicContact CD1-CZ2 4.45Å; F109-W192 HydrophobicContact CD1-CZ3 4.36Å; F109-W192 HydrophobicContact CE1-CD2 4.13Å; F109-W192 AromaticContact CE1-CE3 3.74Å; F109-W192 HydrophobicContact CE1-CE3 3.74Å; F109-W192 HydrophobicContact CE1-CH2 4.29Å; F109-W192 AromaticContact CE1-CZ3 3.82Å; F109-W192 HydrophobicContact CE1-CZ3 3.82Å; F109-T196 HydrophobicContact CE1-CG2 3.82Å; F109-T196 HydrophobicContact CZ-CG2 3.75Å; F109-Y197 AromaticContact CE2-CE1 3.83Å; F109-Y197 HydrophobicContact CE2-CE1 3.83Å; F109-Y197 HydrophobicContact CE2-CE2 4.48Å; F109-Y197 AromaticContact CE2-CZ 3.77Å; F109-Y197 HydrophobicContact CZ-CE1 4.49Å
110	P	95.2	Very high	94.8	Very high	113 Å²	113	41.9 Å²	41.9	73%	0.734	24%	0.239	S	C	*	.			trans	-60.7	134.1	178.7	-23.2	34.4	0	0	0	112.8	D112	P110-D112 PolarHBondContact O-N 3.14Å
111	I	95.9	Very high	95	Very high	47 Å²	47	42.5 Å²	42.5	24%	0.241	24%	0.243	C	C	.	.			trans	-72.8	108.2	174.8	-60.8	166.7	0	0	0	109.6	F107 F109 V113 Y197 G416 F417 V420	F107-I111 HydrophobicContact CD2-CD1 3.73Å; F107-I111 HydrophobicContact CD2-CG1 3.55Å; F107-I111 HydrophobicContact CE2-CD1 4.2Å; F107-I111 HydrophobicContact CE2-CG1 4.19Å; F107-I111 HydrophobicContact CG-CG1 4.37Å; F109-I111 PolarHBondContact O-N 3.24Å; I111-V113 HydrophobicContact CG2-CG2 4.17Å; I111-Y197 HydrophobicContact CG2-CE1 4.27Å; I111-G416 WeakPolarHBondContact CD1-O 3.14Å; I111-F417 HydrophobicContact CG2-CD1 4.16Å; I111-F417 HydrophobicContact CG2-CE1 3.6Å; I111-F417 HydrophobicContact CG2-CZ 4.4Å; I111-V420 HydrophobicContact CD1-CG1 3.69Å; I111-V420 HydrophobicContact CD1-CG2 4.22Å
112	D	95.3	Very high	95.1	Very high	100 Å²	100	41 Å²	41	54%	0.535	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-144	75	173.8	-173.3	17.6	0	0	0	109.9	P110 F115 Y197	P110-D112 PolarHBondContact O-N 3.14Å; D112-F115 WeakPolarHBondContact O-CA 3.36Å; D112-F115 VanDerWaalsContact O-CB 3.27Å; D112-F115 WeakPolarHBondContact O-CB 3.3Å; D112-F115 PolarHBondContact O-N 3.32Å; D112-Y197 PolarHBondContact N-OH 2.8Å; D112-Y197 VanDerWaalsContact N-OH 3.14Å
113	V	94.8	Very high	95.2	Very high	42 Å²	42	41 Å²	41	26%	0.255	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	132.1	-171.7	-175.2	0	0	0	0	111.7	I111 Y197 F417 I426 W432	I111-V113 HydrophobicContact CG2-CG2 4.17Å; V113-Y197 HydrophobicContact CG2-CD1 4.16Å; V113-Y197 HydrophobicContact CG2-CE1 3.99Å; V113-Y197 HydrophobicContact CG2-CE2 4.37Å; V113-Y197 HydrophobicContact CG2-CG 4.41Å; V113-F417 HydrophobicContact CG2-CE1 3.68Å; V113-F417 HydrophobicContact CG2-CZ 3.61Å; V113-I426 HydrophobicContact CG1-CG2 4.14Å; V113-I426 HydrophobicContact CG2-CG2 4.33Å; V113-W432 HydrophobicContact CG1-CH2 4.25Å; V113-W432 HydrophobicContact CG1-CZ2 3.25Å
114	P	94.3	Very high	95.3	Very high	25 Å²	25	40.9 Å²	40.9	16%	0.162	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.6	12.1	5	40	-37.2	0	0	0	114.3	E17 I19 D194	E17-P114 VanDerWaalsContact O-CG 3.27Å; E17-P114 WeakPolarHBondContact O-CG 3.45Å; I19-P114 HydrophobicContact CG2-CB 3.76Å; P114-D194 HydrophobicContact CB-CB 4.15Å
115	F	96.6	Very high	95.5	Very high	94 Å²	94	39.7 Å²	39.7	41%	0.412	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-72.9	148.8	-175.1	-54	-71.2	0	0	0	111.8	D112 Y197	D112-F115 WeakPolarHBondContact O-CA 3.36Å; D112-F115 VanDerWaalsContact O-CB 3.27Å; D112-F115 WeakPolarHBondContact O-CB 3.3Å; D112-F115 PolarHBondContact O-N 3.32Å; F115-Y197 WeakPolarHBondContact O-CE2 3.43Å; F115-Y197 PolarHBondContact O-OH 2.8Å
116	V	96.1	Very high	95.9	Very high	14 Å²	14	37.3 Å²	37.3	9%	0.085	22%	0.218	C	C	.	.			trans	-123.8	172	176.9	-66.3	0	0	0	0	109.9	E17 S118 W192 A193 Y197	E17-V116 HydrophobicContact CG-CG2 4.11Å; E17-V116 PolarHBondContact OE1-N 2.92Å; V116-S118 PolarHBondContact O-N 2.6Å; V116-W192 HydrophobicContact CB-CB 3.79Å; V116-W192 HydrophobicContact CG1-CB 4.22Å; V116-W192 HydrophobicContact CG2-CB 3.94Å; V116-A193 VanDerWaalsContact CG1-C 3.44Å; V116-A193 WeakPolarHBondContact CG1-O 3.31Å; V116-Y197 HydrophobicContact CG1-CE2 4.21Å
117	P	95.2	Very high	96.2	Very high	33 Å²	33	38.8 Å²	38.8	21%	0.214	22%	0.218	C	C	.	.			trans	-50.7	131.2	176.3	-31.2	38.5	0	0	0	112.5	F109 D119 W192	F109-P117 HydrophobicContact CB-CG 3.41Å; F109-P117 VanDerWaalsContact CB-CG 3.41Å; F109-P117 HydrophobicContact CD1-CG 3.96Å; F109-P117 HydrophobicContact CD2-CG 4.24Å; F109-P117 HydrophobicContact CG-CG 3.61Å; P117-D119 VanDerWaalsContact C-N 3.31Å; P117-W192 HydrophobicContact CG-CG 4.46Å
118	S	92.6	Very high	96.3	Very high	91 Å²	91	41.8 Å²	41.8	64%	0.636	23%	0.234	S	C	*	.	S	Bend	trans	-64.2	-40.4	176.3	58.4	0	0	0	0	111.2	H67 V116 N120	H67-S118 PolarHBondContact CD2-O 2.86Å; H67-S118 PolarHBondContact NE2-O 2.92Å; V116-S118 PolarHBondContact O-N 2.6Å; S118-N120 VanDerWaalsContact C-N 3.26Å; S118-N120 PolarHBondContact O-N 3.19Å
119	D	92.9	Very high	96.5	Very high	120 Å²	120	40.9 Å²	40.9	64%	0.642	23%	0.228	S	C	*	.	S	Bend	trans	-71.5	87.7	167.5	-67.7	-14.9	0	0	0	107.7	P117 P121	P117-D119 VanDerWaalsContact C-N 3.31Å; D119-P121 WeakPolarHBondContact O-CD 3.48Å
120	N	97	Very high	96.6	Very high	2 Å²	2	44 Å²	44	1%	0.011	25%	0.248	C	C	.	.			trans	-110.1	99.3	-174.3	-165.5	-17.5	0	0	0	110.3	D66 H67 P68 S118 T122 M190 Q191 W192	D66-N120 CarbonylContact O-C 3.5Å; D66-N120 VanDerWaalsContact O-C 3.29Å; D66-N120 PolarHBondContact O-N 3.05Å; H67-N120 WeakPolarHBondContact CA-O 3.28Å; P68-N120 WeakPolarHBondContact CD-O 3.18Å; S118-N120 VanDerWaalsContact C-N 3.26Å; S118-N120 PolarHBondContact O-N 3.19Å; N120-T122 PolarHBondContact O-N 3.24Å; N120-T122 PolarHBondContact O-OG1 3.46Å; N120-M190 HydrophobicContact CB-CE 4.26Å; N120-M190 VanDerWaalsContact ND2-CE 3.33Å; N120-M190 WeakPolarHBondContact ND2-CE 3.42Å; N120-Q191 PolarHBondContact OD1-N 2.91Å; N120-W192 PolarHBondContact ND2-O 2.6Å; N120-W192 PolarHBondContact OD1-N 3.14Å
121	P	98	Very high	96.8	Very high	22 Å²	22	38.9 Å²	38.9	14%	0.143	22%	0.215	C	C	.	.			trans	-47.3	129.8	176.2	-33.7	39.9	0	0	0	112.5	F64 F65 W92 D119 Q191	F64-P121 HydrophobicContact CE2-CB 3.83Å; F64-P121 HydrophobicContact CZ-CB 3.65Å; F64-P121 HydrophobicContact CZ-CG 4.34Å; F65-P121 CarbonylContact O-C 3.51Å; F65-P121 WeakPolarHBondContact O-CA 3.21Å; W92-P121 HydrophobicContact CZ3-CB 4.14Å; D119-P121 WeakPolarHBondContact O-CD 3.48Å; P121-Q191 HydrophobicContact CB-CB 3.92Å; P121-Q191 VanDerWaalsContact CB-OE1 3.24Å; P121-Q191 HydrophobicContact CG-CB 4.39Å; P121-Q191 PolarHBondContact O-N 3.31Å
122	T	98.6	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.4	-172.7	-59.9	0	0	0	0	110.6	F65 P68 V71 N120 R188 V189 M190	F65-T122 PolarHBondContact N-O 3.16Å; F65-T122 PolarHBondContact O-N 2.96Å; P68-T122 WeakPolarHBondContact CA-OG1 3.4Å; P68-T122 HydrophobicContact CB-CG2 4.47Å; P68-T122 WeakPolarHBondContact CD-OG1 3.46Å; V71-T122 HydrophobicContact CG2-CG2 3.68Å; N120-T122 PolarHBondContact O-N 3.24Å; N120-T122 PolarHBondContact O-OG1 3.46Å; T122-R188 HydrophobicContact CG2-CG 3.59Å; T122-V189 CarbonylContact C-O 3.57Å; T122-V189 VanDerWaalsContact CA-O 3.27Å; T122-V189 WeakPolarHBondContact CA-O 3.47Å; T122-V189 WeakPolarHBondContact CG2-O 3.15Å; T122-M190 HydrophobicContact CG2-CG 4.18Å
123	G	98.6	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.5	170.2	0	0	0	0	0	111.3	V189	G123-V189 PolarHBondContact N-O 3.34Å; G123-V189 PolarHBondContact O-N 3.36Å
124	A	98.7	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111.6	175.2	0	0	0	0	0	109.7	F62 H63 F65 V71 F75 W83	F62-A124 WeakPolarHBondContact CA-O 3.44Å; F62-A124 WeakPolarHBondContact CD2-O 3.44Å; H63-A124 PolarHBondContact N-O 2.96Å; H63-A124 VanDerWaalsContact N-O 3.13Å; H63-A124 PolarHBondContact O-N 3.05Å; F65-A124 HydrophobicContact CD2-CB 4.15Å; F65-A124 HydrophobicContact CE2-CB 3.75Å; V71-A124 HydrophobicContact CG1-CB 4.01Å; V71-A124 HydrophobicContact CG2-CB 4.4Å; F75-A124 HydrophobicContact CD2-CB 3.98Å; F75-A124 HydrophobicContact CE1-CB 4.49Å; F75-A124 HydrophobicContact CE2-CB 3.6Å; F75-A124 HydrophobicContact CZ-CB 3.88Å; W83-A124 HydrophobicContact CH2-CB 3.58Å; W83-A124 HydrophobicContact CZ3-CB 3.6Å; W83-A124 WeakPolarHBondContact CZ3-O 3.19Å
125	Y	98.8	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.1	-174.9	-65.5	-100.7	0	0	0	110.9	W60 N61 F62 F75 I86 V88 W92 C186 V187 V189 G208 I209	W60-Y125 HydrophobicContact CB-CD1 4.36Å; W60-Y125 HydrophobicContact CE3-CD1 4.42Å; N61-Y125 CarbonylContact O-C 3.55Å; F62-Y125 AromaticContact CD2-CD1 3.71Å; F62-Y125 HydrophobicContact CD2-CD1 3.71Å; F62-Y125 HydrophobicContact CD2-CD2 4.09Å; F62-Y125 AromaticContact CD2-CE1 3.8Å; F62-Y125 HydrophobicContact CD2-CE1 3.8Å; F62-Y125 HydrophobicContact CD2-CE2 4.15Å; F62-Y125 AromaticContact CD2-CG 3.89Å; F62-Y125 HydrophobicContact CD2-CG 3.89Å; F62-Y125 HydrophobicContact CE2-CD1 4.23Å; F62-Y125 HydrophobicContact CE2-CD2 4.03Å; F62-Y125 AromaticContact CE2-CE1 3.95Å; F62-Y125 HydrophobicContact CE2-CE1 3.95Å; F62-Y125 AromaticContact CE2-CE2 3.72Å; F62-Y125 HydrophobicContact CE2-CE2 3.72Å; F62-Y125 HydrophobicContact CE2-CG 4.29Å; F62-Y125 AromaticContact CE2-CZ 3.71Å; F75-Y125 WeakPolarHBondContact CE2-O 3.42Å; F75-Y125 WeakPolarHBondContact CZ-O 3.37Å; I86-Y125 HydrophobicContact CD1-CE1 4.33Å; I86-Y125 HydrophobicContact CG2-CD1 3.68Å; I86-Y125 HydrophobicContact CG2-CE1 3.42Å; I86-Y125 VanDerWaalsContact CG2-CE1 3.42Å; V88-Y125 HydrophobicContact CG2-CD1 4.1Å; V88-Y125 HydrophobicContact CG2-CE1 3.86Å; W92-Y125 HydrophobicContact CZ2-CE2 4.48Å; W92-Y125 AromaticContact NE1-CE2 3.61Å; W92-Y125 AromaticContact NE1-CZ 3.38Å; W92-Y125 PolarHBondContact NE1-OH 3.21Å; Y125-C186 CarbonylContact O-C 3.5Å; Y125-C186 WeakPolarHBondContact O-CA 3.39Å; Y125-V187 WeakPolarHBondContact CB-O 3.26Å; Y125-V187 WeakPolarHBondContact CD2-O 3.35Å; Y125-V187 PolarHBondContact N-O 3.38Å; Y125-V187 PolarHBondContact O-N 2.56Å; Y125-V189 HydrophobicContact CD2-CG2 3.93Å; Y125-V189 HydrophobicContact CE2-CB 4.01Å; Y125-V189 HydrophobicContact CE2-CG2 3.65Å; Y125-G208 WeakPolarHBondContact OH-CA 3.33Å; Y125-I209 HydrophobicContact CD1-CD1 4.03Å; Y125-I209 HydrophobicContact CD2-CD1 4.13Å; Y125-I209 HydrophobicContact CE1-CD1 4.02Å; Y125-I209 HydrophobicContact CE1-CG1 4.27Å; Y125-I209 HydrophobicContact CE2-CD1 4.14Å; Y125-I209 HydrophobicContact CE2-CG1 4.13Å; Y125-I209 HydrophobicContact CG-CD1 4.04Å; Y125-I209 PolarHBondContact OH-N 2.75Å
126	Q	98.7	Very high	96.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139	169	-56.3	-173.3	-42.7	0	0	111.6	N61 F75 E78 W83 L184 L185 C186	N61-Q126 HydrophobicContact CB-CB 4.09Å; N61-Q126 PolarHBondContact N-O 3.13Å; N61-Q126 PolarHBondContact O-N 3.31Å; F75-Q126 HydrophobicContact CD2-CG 3.85Å; F75-Q126 HydrophobicContact CE2-CG 3.53Å; F75-Q126 PolarHBondContact O-NE2 2.91Å; E78-Q126 PolarHBondContact O-NE2 2.88Å; W83-Q126 HydrophobicContact CZ3-CG 4.3Å; Q126-L184 HydrophobicContact CB-CD1 4.16Å; Q126-L185 CarbonylContact C-O 3.41Å; Q126-L185 VanDerWaalsContact CA-O 3.28Å; Q126-L185 WeakPolarHBondContact CA-O 3.46Å; Q126-C186 HydrophobicContact CG-CB 4.49Å
127	R	98	Very high	96.2	Very high	48 Å²	48	43.7 Å²	43.7	18%	0.181	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134	171.3	178.7	163	-178.9	143.4	-17.4	110.7	L56 S57 Q59 W60 L185	L56-R127 VanDerWaalsContact C-CZ 3.46Å; L56-R127 WeakPolarHBondContact O-CD 3.44Å; L56-R127 PolarHBondContact O-NE 3.29Å; L56-R127 PolarHBondContact O-NH1 2.81Å; L56-R127 PolarHBondContact O-NH2 2.9Å; S57-R127 VanDerWaalsContact C-NH1 3.35Å; S57-R127 PolarHBondContact O-NH1 2.64Å; S57-R127 PolarHBondContact O-NH2 2.82Å; Q59-R127 PolarHBondContact O-NH1 3.34Å; Q59-R127 VanDerWaalsContact O-NH1 3.13Å; W60-R127 HydrophobicContact CD2-CB 3.49Å; W60-R127 VanDerWaalsContact CD2-CB 3.49Å; W60-R127 HydrophobicContact CD2-CG 4.33Å; W60-R127 VanDerWaalsContact CE2-CD 3.41Å; W60-R127 HydrophobicContact CE3-CB 3.43Å; W60-R127 VanDerWaalsContact CE3-CB 3.43Å; W60-R127 HydrophobicContact CG-CB 4.1Å; W60-R127 HydrophobicContact CH2-CB 4.13Å; W60-R127 HydrophobicContact CZ2-CB 4.09Å; W60-R127 HydrophobicContact CZ3-CB 3.79Å; W60-R127 VanDerWaalsContact NE1-CD 3.34Å; R127-L185 PolarHBondContact N-O 3.35Å; R127-L185 WeakPolarHBondContact O-CB 3.31Å; R127-L185 PolarHBondContact O-N 3.08Å
128	I	98.3	Very high	96.2	Very high	80 Å²	80	44.6 Å²	44.6	41%	0.41	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132	167.1	-63.9	174	0	0	0	108.2	L79 D182 N183 L184	L79-I128 HydrophobicContact CD1-CD1 4Å; L79-I128 HydrophobicContact CD1-CG1 4.14Å; L79-I128 HydrophobicContact CD2-CD1 3.82Å; L79-I128 HydrophobicContact CG-CD1 4.45Å; I128-D182 HydrophobicContact CG2-CB 3.92Å; I128-N183 VanDerWaalsContact CA-O 3.3Å; I128-N183 WeakPolarHBondContact CA-O 3.35Å; I128-L184 HydrophobicContact CG1-CD1 4.25Å
129	F	98.1	Very high	96.4	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.7	169.7	68.5	-87.3	0	0	0	110	L54 L56 L131 I174 V178 N183 L185 L215	L54-F129 HydrophobicContact CD2-CB 4.21Å; L54-F129 HydrophobicContact CD2-CD2 4.18Å; L56-F129 HydrophobicContact CD2-CB 3.61Å; L56-F129 HydrophobicContact CD2-CG 4.15Å; F129-L131 HydrophobicContact CD2-CD2 3.81Å; F129-L131 HydrophobicContact CD2-CG 4Å; F129-L131 HydrophobicContact CE2-CD1 4.04Å; F129-L131 HydrophobicContact CE2-CD2 3.77Å; F129-L131 HydrophobicContact CE2-CG 3.72Å; F129-I174 HydrophobicContact CZ-CD1 4.26Å; F129-V178 HydrophobicContact CE2-CG1 4.22Å; F129-V178 HydrophobicContact CZ-CG1 3.83Å; F129-N183 HydrophobicContact CD1-CB 4.08Å; F129-N183 HydrophobicContact CD2-CB 4.19Å; F129-N183 HydrophobicContact CE1-CB 3.55Å; F129-N183 HydrophobicContact CE2-CB 3.69Å; F129-N183 HydrophobicContact CG-CB 4.38Å; F129-N183 HydrophobicContact CZ-CB 3.37Å; F129-N183 PolarHBondContact N-O 3.38Å; F129-N183 PolarHBondContact O-N 2.95Å; F129-L185 HydrophobicContact CD1-CB 3.94Å; F129-L185 HydrophobicContact CE1-CB 3.81Å; F129-L215 HydrophobicContact CD2-CD1 3.63Å; F129-L215 HydrophobicContact CE2-CD1 3.46Å; F129-L215 VanDerWaalsContact CE2-CD1 3.46Å; F129-L215 HydrophobicContact CG-CD1 4.42Å; F129-L215 HydrophobicContact CZ-CD1 4.13Å
130	T	98.1	Very high	96.7	Very high	84 Å²	84	35.1 Å²	35.1	52%	0.515	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.7	-176.5	-48.4	0	0	0	0	109.7	G181 D182	T130-G181 CarbonylContact C-O 3.49Å; T130-G181 WeakPolarHBondContact CA-O 3.36Å; T130-D182 WeakPolarHBondContact CB-OD1 3.17Å; T130-D182 WeakPolarHBondContact CG2-OD1 3.3Å; T130-D182 PolarHBondContact OG1-OD1 3.28Å
131	L	97.7	Very high	96.7	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.8	172.4	-62.4	-173.7	0	0	0	110.3	L54 F129 W135 T140 V178 G181 L215	L54-L131 HydrophobicContact CD2-CD2 4.16Å; F129-L131 HydrophobicContact CD2-CD2 3.81Å; F129-L131 HydrophobicContact CD2-CG 4Å; F129-L131 HydrophobicContact CE2-CD1 4.04Å; F129-L131 HydrophobicContact CE2-CD2 3.77Å; F129-L131 HydrophobicContact CE2-CG 3.72Å; L131-W135 HydrophobicContact CB-CB 4.29Å; L131-W135 HydrophobicContact CB-CG 4.27Å; L131-W135 HydrophobicContact CD1-CB 4.39Å; L131-W135 HydrophobicContact CD2-CD2 3.87Å; L131-W135 HydrophobicContact CD2-CE3 4.3Å; L131-W135 HydrophobicContact CD2-CG 4.01Å; L131-T140 HydrophobicContact CD1-CG2 4.47Å; L131-V178 HydrophobicContact CD1-CB 3.74Å; L131-V178 HydrophobicContact CD1-CG1 4.25Å; L131-V178 HydrophobicContact CD1-CG2 3.81Å; L131-G181 PolarHBondContact N-O 3.44Å; L131-G181 PolarHBondContact O-N 2.85Å; L131-L215 HydrophobicContact CD2-CD1 3.82Å
132	S	95.8	Very high	96.8	Very high	70 Å²	70	34.1 Å²	34.1	49%	0.49	20%	0.204	S	C	.	.			trans	-76.7	168.5	171.7	68.6	0	0	0	0	111.5	G134 W135	S132-G134 PolarHBondContact O-N 2.91Å; S132-W135 PolarHBondContact O-N 2.88Å; S132-W135 VanDerWaalsContact O-N 3.13Å
133	D	93.9	Very high	96.7	Very high	113 Å²	113	34.2 Å²	34.2	60%	0.604	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-57.1	-22.5	176.3	-71.4	-35.4	0	0	0	113.8	W135 Q136 T180	D133-W135 PolarHBondContact O-N 3.19Å; D133-Q136 WeakPolarHBondContact O-CB 3.18Å; D133-Q136 WeakPolarHBondContact O-CG 3.24Å; D133-Q136 PolarHBondContact O-N 3.01Å; D133-Q136 VanDerWaalsContact O-N 3.07Å; D133-Q136 PolarHBondContact OD1-NE2 2.71Å; D133-T180 WeakPolarHBondContact OD1-CG2 3.41Å
134	G	92.2	Very high	96.7	Very high	42 Å²	42	34.3 Å²	34.3	43%	0.433	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-63.4	-19.5	177.9	0	0	0	0	0	114.5	S132	S132-G134 PolarHBondContact O-N 2.91Å
135	W	95	Very high	96.7	Very high	23 Å²	23	34.3 Å²	34.3	9%	0.087	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-84.9	-11.1	176.2	-66.9	80	0	0	0	113.1	L52 L54 L131 S132 D133 G137 K138 T140 L215 G217	L52-W135 HydrophobicContact CB-CH2 4.07Å; L52-W135 HydrophobicContact CB-CZ2 4.03Å; L52-W135 HydrophobicContact CB-CZ3 4.46Å; L52-W135 HydrophobicContact CD2-CD2 4.33Å; L52-W135 HydrophobicContact CD2-CG 4.48Å; L52-W135 HydrophobicContact CD2-CZ2 4.45Å; L52-W135 WeakPolarHBondContact O-CH2 3.31Å; L54-W135 HydrophobicContact CB-CZ2 4.04Å; L131-W135 HydrophobicContact CB-CB 4.29Å; L131-W135 HydrophobicContact CB-CG 4.27Å; L131-W135 HydrophobicContact CD1-CB 4.39Å; L131-W135 HydrophobicContact CD2-CD2 3.87Å; L131-W135 HydrophobicContact CD2-CE3 4.3Å; L131-W135 HydrophobicContact CD2-CG 4.01Å; S132-W135 PolarHBondContact O-N 2.88Å; S132-W135 VanDerWaalsContact O-N 3.13Å; D133-W135 PolarHBondContact O-N 3.19Å; W135-G137 PolarHBondContact O-N 3.24Å; W135-K138 WeakPolarHBondContact O-CB 3.26Å; W135-K138 PolarHBondContact O-N 3.01Å; W135-T140 HydrophobicContact CE3-CG2 3.93Å; W135-T140 HydrophobicContact CZ3-CG2 3.86Å; W135-L215 HydrophobicContact CH2-CB 3.7Å; W135-L215 HydrophobicContact CZ3-CB 4.09Å; W135-G217 VanDerWaalsContact CZ3-N 3.28Å
136	Q	93	Very high	96.7	Very high	110 Å²	110	34.3 Å²	34.3	51%	0.514	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	132.3	-179.5	-66.1	-173.1	13.4	0	0	111.4	D133 K138 T180	D133-Q136 WeakPolarHBondContact O-CB 3.18Å; D133-Q136 WeakPolarHBondContact O-CG 3.24Å; D133-Q136 PolarHBondContact O-N 3.01Å; D133-Q136 VanDerWaalsContact O-N 3.07Å; D133-Q136 PolarHBondContact OD1-NE2 2.71Å; Q136-K138 PolarHBondContact O-N 3.16Å; Q136-T180 VanDerWaalsContact CG-OG1 3.26Å; Q136-T180 WeakPolarHBondContact CG-OG1 3.37Å; Q136-T180 PolarHBondContact NE2-OG1 3.14Å
137	G	91.8	Very high	96.7	Very high	66 Å²	66	34.5 Å²	34.5	68%	0.68	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	12.5	-178.9	0	0	0	0	0	114.4	W135	W135-G137 PolarHBondContact O-N 3.24Å
138	K	94.6	Very high	96.6	Very high	52 Å²	52	32.4 Å²	32.4	23%	0.226	20%	0.198	C	C	.	.	S	Bend	trans	-99.5	155.6	172.3	-54.2	-62.9	-178.8	170.7	0	109.8	L52 W135 Q136 K218 H219	L52-K138 HydrophobicContact CD1-CB 4.29Å; L52-K138 HydrophobicContact CD1-CD 4.23Å; L52-K138 HydrophobicContact CD1-CG 3.82Å; W135-K138 WeakPolarHBondContact O-CB 3.26Å; W135-K138 PolarHBondContact O-N 3.01Å; Q136-K138 PolarHBondContact O-N 3.16Å; K138-K218 WeakPolarHBondContact CA-O 3.47Å; K138-K218 WeakPolarHBondContact CB-O 3.38Å; K138-H219 PolarHBondContact NZ-CE1 2.93Å; K138-H219 PolarHBondContact NZ-ND1 3.12Å; K138-H219 VanDerWaalsContact NZ-ND1 3.19Å; K138-H219 PolarHBondContact NZ-NE2 3.34Å
139	Q	96.6	Very high	96.4	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.1	162.7	-169.9	-175	35	0	0	108.3	L141 D173 S175 G217 K218 H222 L250	Q139-L141 HydrophobicContact CG-CD2 3.78Å; Q139-L141 HydrophobicContact CG-CG 4.23Å; Q139-D173 WeakPolarHBondContact CG-OD2 3.1Å; Q139-D173 PolarHBondContact NE2-OD2 2.61Å; Q139-S175 WeakPolarHBondContact CA-OG 3.26Å; Q139-G217 CarbonylContact O-C 3.59Å; Q139-G217 VanDerWaalsContact O-CA 3.31Å; Q139-G217 WeakPolarHBondContact O-CA 3.42Å; Q139-K218 HydrophobicContact CB-CB 4.27Å; Q139-K218 PolarHBondContact N-O 3.38Å; Q139-K218 PolarHBondContact O-N 2.9Å; Q139-H222 PolarHBondContact OE1-CE1 2.73Å; Q139-L250 HydrophobicContact CB-CD1 3.95Å; Q139-L250 HydrophobicContact CG-CD1 3.9Å
140	T	98.2	Very high	96.4	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.8	176.6	-56.5	0	0	0	0	108.6	L131 W135 I174 S175 V178 L215	L131-T140 HydrophobicContact CD1-CG2 4.47Å; W135-T140 HydrophobicContact CE3-CG2 3.93Å; W135-T140 HydrophobicContact CZ3-CG2 3.86Å; T140-I174 HydrophobicContact CG2-CD1 3.99Å; T140-I174 HydrophobicContact CG2-CG1 3.77Å; T140-I174 VanDerWaalsContact O-CG1 3.3Å; T140-I174 WeakPolarHBondContact O-CG1 3.08Å; T140-I174 PolarHBondContact O-N 2.75Å; T140-S175 PolarHBondContact N-OG 2.92Å; T140-V178 HydrophobicContact CG2-CG2 4.31Å; T140-L215 HydrophobicContact CG2-CD1 4.17Å
141	L	98.3	Very high	96.5	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.5	176.9	-57.4	-175.9	0	0	0	109.7	L27 Q139 F172 D173 L215 V216 K218	L27-L141 HydrophobicContact CD1-CD1 4.36Å; L27-L141 HydrophobicContact CD1-CD2 3.62Å; Q139-L141 HydrophobicContact CG-CD2 3.78Å; Q139-L141 HydrophobicContact CG-CG 4.23Å; L141-F172 WeakPolarHBondContact CA-O 3.48Å; L141-D173 HydrophobicContact CD2-CB 3.9Å; L141-L215 CarbonylContact O-C 3.22Å; L141-L215 WeakPolarHBondContact O-CA 3.38Å; L141-V216 PolarHBondContact N-O 2.92Å; L141-V216 PolarHBondContact O-N 2.84Å; L141-K218 HydrophobicContact CD1-CD 4.07Å
142	I	98.7	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.1	165.4	-174.1	166.3	0	0	0	109.3	L56 F144 E171 F172 I174 L185 V213 L215	L56-I142 HydrophobicContact CD1-CD1 4.16Å; I142-F144 HydrophobicContact CB-CE2 4.48Å; I142-F144 HydrophobicContact CD1-CE2 3.58Å; I142-F144 HydrophobicContact CD1-CZ 3.58Å; I142-F144 HydrophobicContact CG1-CD2 4.24Å; I142-F144 HydrophobicContact CG1-CE2 3.61Å; I142-F144 HydrophobicContact CG1-CZ 4.07Å; I142-F144 HydrophobicContact CG2-CE2 4.12Å; I142-E171 WeakPolarHBondContact O-CA 3.21Å; I142-F172 HydrophobicContact CG2-CB 3.84Å; I142-F172 HydrophobicContact CG2-CD2 4.27Å; I142-F172 PolarHBondContact N-O 2.74Å; I142-F172 PolarHBondContact O-N 3.19Å; I142-I174 HydrophobicContact CB-CD1 4.13Å; I142-I174 HydrophobicContact CG2-CD1 4.39Å; I142-I174 HydrophobicContact CG2-CG2 3.7Å; I142-L185 HydrophobicContact CD1-CD1 3.74Å; I142-L185 HydrophobicContact CD1-CD2 3.52Å; I142-L185 HydrophobicContact CD1-CG 4.32Å; I142-V213 HydrophobicContact CD1-CG1 4.19Å; I142-V213 HydrophobicContact CG1-CG1 4.25Å; I142-L215 HydrophobicContact CB-CD2 3.56Å; I142-L215 HydrophobicContact CD1-CD2 4.1Å; I142-L215 HydrophobicContact CG1-CD2 3.73Å
143	K	98.4	Very high	96.6	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.2	176.6	-57.2	-150.7	-173.8	-165	0	110.9	R30 A170 E171 V213 Y214 V216	R30-K143 VanDerWaalsContact NH2-CE 3.32Å; K143-A170 WeakPolarHBondContact CA-O 3.49Å; K143-E171 HydrophobicContact CD-CG 3.82Å; K143-E171 WeakPolarHBondContact CD-OE1 3.3Å; K143-E171 WeakPolarHBondContact CE-OE1 3.31Å; K143-E171 WeakPolarHBondContact CE-OE2 3.33Å; K143-E171 HydrophobicContact CG-CG 3.85Å; K143-E171 VanDerWaalsContact NZ-CD 3.31Å; K143-E171 IonicContact NZ-OE1 3.94Å; K143-E171 PolarHBondContact NZ-OE1 2.85Å; K143-E171 IonicContact NZ-OE2 3.54Å; K143-E171 PolarHBondContact NZ-OE2 3.22Å; K143-V213 WeakPolarHBondContact O-CA 3.18Å; K143-Y214 HydrophobicContact CB-CD2 4.19Å; K143-Y214 HydrophobicContact CB-CE1 4.28Å; K143-Y214 HydrophobicContact CB-CE2 3.78Å; K143-Y214 HydrophobicContact CD-CE2 3.71Å; K143-Y214 HydrophobicContact CG-CD2 4.43Å; K143-Y214 HydrophobicContact CG-CE2 3.89Å; K143-Y214 PolarHBondContact N-O 3.04Å; K143-Y214 PolarHBondContact O-N 2.85Å; K143-Y214 VanDerWaalsContact O-N 3.15Å; K143-V216 HydrophobicContact CD-CG2 4.41Å; K143-V216 HydrophobicContact CG-CG2 4.4Å
144	F	98.6	Very high	96.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	112.4	170.5	-65.3	-95.5	0	0	0	107.8	I142 G146 V147 F151 V153 T169 A170 F172 V187 V213	I142-F144 HydrophobicContact CB-CE2 4.48Å; I142-F144 HydrophobicContact CD1-CE2 3.58Å; I142-F144 HydrophobicContact CD1-CZ 3.58Å; I142-F144 HydrophobicContact CG1-CD2 4.24Å; I142-F144 HydrophobicContact CG1-CE2 3.61Å; I142-F144 HydrophobicContact CG1-CZ 4.07Å; I142-F144 HydrophobicContact CG2-CE2 4.12Å; F144-G146 VanDerWaalsContact C-N 3.35Å; F144-V147 HydrophobicContact CB-CG2 3.9Å; F144-V147 HydrophobicContact CD1-CG2 3.76Å; F144-V147 HydrophobicContact CG-CG2 4.2Å; F144-F151 HydrophobicContact CB-CE2 4.38Å; F144-F151 HydrophobicContact CB-CZ 4Å; F144-F151 HydrophobicContact CD1-CE2 4.14Å; F144-F151 AromaticContact CD2-CE2 3.73Å; F144-F151 HydrophobicContact CD2-CE2 3.73Å; F144-F151 HydrophobicContact CD2-CZ 4.05Å; F144-F151 HydrophobicContact CE1-CE2 4.37Å; F144-F151 AromaticContact CE2-CE2 3.97Å; F144-F151 HydrophobicContact CE2-CE2 3.97Å; F144-F151 AromaticContact CG-CE2 3.83Å; F144-F151 HydrophobicContact CG-CE2 3.83Å; F144-F151 AromaticContact CG-CZ 3.96Å; F144-F151 HydrophobicContact CG-CZ 3.96Å; F144-F151 HydrophobicContact CZ-CE2 4.29Å; F144-V153 HydrophobicContact CE2-CG1 4.32Å; F144-V153 HydrophobicContact CE2-CG2 3.64Å; F144-V153 HydrophobicContact CZ-CG1 4.3Å; F144-V153 HydrophobicContact CZ-CG2 3.79Å; F144-T169 CarbonylContact O-C 3.6Å; F144-T169 VanDerWaalsContact O-CA 3.29Å; F144-T169 WeakPolarHBondContact O-CA 3.33Å; F144-A170 PolarHBondContact N-O 3.19Å; F144-A170 PolarHBondContact O-N 2.89Å; F144-F172 HydrophobicContact CD2-CD2 4.34Å; F144-F172 HydrophobicContact CD2-CE2 4.28Å; F144-F172 HydrophobicContact CE2-CD2 4.36Å; F144-F172 HydrophobicContact CE2-CE2 4.49Å; F144-V187 HydrophobicContact CE1-CG1 4.25Å; F144-V187 HydrophobicContact CE1-CG2 3.83Å; F144-V187 HydrophobicContact CZ-CG2 3.77Å; F144-V213 HydrophobicContact CD1-CB 4.34Å; F144-V213 HydrophobicContact CD1-CG1 3.87Å; F144-V213 HydrophobicContact CD1-CG2 3.54Å; F144-V213 HydrophobicContact CE1-CB 4.42Å; F144-V213 HydrophobicContact CE1-CG1 3.63Å; F144-V213 HydrophobicContact CE1-CG2 3.83Å; F144-V213 HydrophobicContact CG-CG1 4.43Å; F144-V213 HydrophobicContact CG-CG2 4.44Å; F144-V213 HydrophobicContact CZ-CG1 4.01Å
145	D	97.8	Very high	97.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-81.1	-15.7	-177.8	-78.2	-23.2	0	0	0	113.7	T169 R211 D212 Y214	D145-T169 WeakPolarHBondContact OD1-CG2 3.2Å; D145-T169 PolarHBondContact OD1-OG1 2.72Å; D145-R211 HydrophobicContact CB-CB 3.75Å; D145-R211 WeakPolarHBondContact O-CD 3.15Å; D145-D212 PolarHBondContact N-O 3.43Å; D145-D212 VanDerWaalsContact N-O 3.09Å; D145-Y214 WeakPolarHBondContact OD2-CE1 3.28Å; D145-Y214 PolarHBondContact OD2-OH 2.82Å
146	G	98	Very high	97.3	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	10%	0.096	C	C	.	.			trans	-175.3	120.2	179.4	0	0	0	0	0	112.5	F144 S166 F210 R211	F144-G146 VanDerWaalsContact C-N 3.35Å; G146-S166 VanDerWaalsContact CA-O 3.24Å; G146-S166 WeakPolarHBondContact CA-O 3.37Å; G146-F210 PolarHBondContact O-N 3.31Å; G146-F210 VanDerWaalsContact O-N 3.11Å; G146-R211 PolarHBondContact O-N 2.99Å
147	V	98.6	Very high	97.6	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.03	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	125.5	179.9	-175.3	0	0	0	0	109.2	F144 F151 S166 V189 G208 I209	F144-V147 HydrophobicContact CB-CG2 3.9Å; F144-V147 HydrophobicContact CD1-CG2 3.76Å; F144-V147 HydrophobicContact CG-CG2 4.2Å; V147-F151 HydrophobicContact CB-CD1 3.6Å; V147-F151 HydrophobicContact CB-CE1 3.91Å; V147-F151 HydrophobicContact CB-CG 4.12Å; V147-F151 HydrophobicContact CG1-CB 3.69Å; V147-F151 HydrophobicContact CG1-CD1 3.67Å; V147-F151 HydrophobicContact CG1-CE1 4.44Å; V147-F151 HydrophobicContact CG1-CG 3.76Å; V147-F151 HydrophobicContact CG2-CD1 4.07Å; V147-F151 HydrophobicContact CG2-CE1 4.04Å; V147-F151 HydrophobicContact CG2-CG 4.35Å; V147-F151 HydrophobicContact CG2-CZ 4.33Å; V147-S166 PolarHBondContact N-O 3.42Å; V147-S166 VanDerWaalsContact N-O 3.12Å; V147-S166 WeakPolarHBondContact O-CA 3.35Å; V147-S166 WeakPolarHBondContact O-CB 3.48Å; V147-V189 HydrophobicContact CG1-CB 4.37Å; V147-V189 HydrophobicContact CG1-CG1 3.74Å; V147-V189 HydrophobicContact CG1-CG2 3.69Å; V147-G208 WeakPolarHBondContact CA-O 3.41Å; V147-I209 HydrophobicContact CG1-CG1 4.06Å; V147-I209 HydrophobicContact CG2-CB 4.47Å; V147-I209 HydrophobicContact CG2-CG1 4.16Å; V147-I209 HydrophobicContact CG2-CG2 4.15Å
148	E	97.3	Very high	97.9	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.014	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.5	-176	-165.4	139.4	159	0	0	112.9	R167 V189 S206 G208 F210 R362	E148-R167 IonicContact OE1-CZ 3.23Å; E148-R167 IonicContact OE1-NH1 3.79Å; E148-R167 PolarHBondContact OE1-NH1 2.85Å; E148-R167 VanDerWaalsContact OE1-NH1 3.15Å; E148-R167 IonicContact OE1-NH2 3.01Å; E148-R167 PolarHBondContact OE1-NH2 3.02Å; E148-R167 IonicContact OE2-CZ 3.78Å; E148-R167 IonicContact OE2-NE 2.67Å; E148-R167 IonicContact OE2-NH1 3.95Å; E148-R167 PolarHBondContact OE2-NH1 2.88Å; E148-R167 IonicContact OE2-NH2 3Å; E148-R167 PolarHBondContact OE2-NH2 2.67Å; E148-V189 WeakPolarHBondContact O-CG1 3.39Å; E148-S206 WeakPolarHBondContact CG-O 3.28Å; E148-G208 PolarHBondContact N-O 2.98Å; E148-G208 PolarHBondContact O-N 3.11Å; E148-G208 VanDerWaalsContact O-N 3.11Å; E148-F210 HydrophobicContact CB-CD1 4.13Å; E148-F210 HydrophobicContact CB-CE1 4.13Å; E148-R362 IonicContact OE1-CZ 3.68Å; E148-R362 IonicContact OE1-NH2 4Å; E148-R362 PolarHBondContact OE1-NH2 2.86Å; E148-R362 VanDerWaalsContact OE1-NH2 3.08Å; E148-R362 IonicContact OE2-CZ 2.63Å; E148-R362 IonicContact OE2-NH1 3.24Å; E148-R362 PolarHBondContact OE2-NH1 3.24Å; E148-R362 IonicContact OE2-NH2 3.25Å; E148-R362 PolarHBondContact OE2-NH2 2.62Å
149	T	94.2	Very high	98.1	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.025	8%	0.075	C	C	.	.	S	Bend	cis	-109.4	-38.2	-2.3	-60.2	0	0	0	0	112.7	S166 M190 Q191 A193 S195	T149-S166 WeakPolarHBondContact CA-OG 3.3Å; T149-M190 PolarHBondContact N-O 3.47Å; T149-Q191 PolarHBondContact OG1-O 3.22Å; T149-Q191 VanDerWaalsContact OG1-O 3.06Å; T149-A193 HydrophobicContact CG2-CB 4.28Å; T149-S195 VanDerWaalsContact CG2-OG 3.22Å; T149-S195 WeakPolarHBondContact CG2-OG 3.38Å
150	Y	98.2	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.7	177.3	167.8	-86	0	0	0	109.2	R15 W16 E152 F162 K164 V189 M190	R15-Y150 HydrophobicContact CB-CE2 4.2Å; R15-Y150 WeakPolarHBondContact CB-OH 3.42Å; W16-Y150 HydrophobicContact CB-CD1 4.18Å; W16-Y150 HydrophobicContact CB-CD2 3.93Å; W16-Y150 HydrophobicContact CB-CE1 4.42Å; W16-Y150 HydrophobicContact CB-CE2 4.18Å; W16-Y150 HydrophobicContact CB-CG 3.95Å; Y150-E152 HydrophobicContact CE1-CG 3.56Å; Y150-E152 WeakPolarHBondContact OH-CG 3.4Å; Y150-E152 PolarHBondContact OH-OE1 2.88Å; Y150-F162 AromaticContact CD2-CD2 3.9Å; Y150-F162 HydrophobicContact CD2-CD2 3.9Å; Y150-F162 HydrophobicContact CD2-CE2 4.22Å; Y150-F162 HydrophobicContact CE2-CB 4.2Å; Y150-F162 HydrophobicContact CE2-CD1 4.5Å; Y150-F162 AromaticContact CE2-CD2 3.15Å; Y150-F162 HydrophobicContact CE2-CD2 3.15Å; Y150-F162 AromaticContact CE2-CE2 3.5Å; Y150-F162 HydrophobicContact CE2-CE2 3.5Å; Y150-F162 AromaticContact CE2-CG 3.73Å; Y150-F162 HydrophobicContact CE2-CG 3.73Å; Y150-F162 HydrophobicContact CE2-CZ 4.27Å; Y150-F162 AromaticContact CZ-CD2 3.82Å; Y150-F162 AromaticContact CZ-CG 3.9Å; Y150-F162 WeakPolarHBondContact OH-CG 3.29Å; Y150-K164 HydrophobicContact CD2-CD 4.46Å; Y150-K164 HydrophobicContact CD2-CG 3.84Å; Y150-V189 CarbonylContact O-C 3.5Å; Y150-V189 VanDerWaalsContact O-CA 3.32Å; Y150-V189 WeakPolarHBondContact O-CA 3.35Å; Y150-M190 HydrophobicContact CD1-CB 4.18Å; Y150-M190 HydrophobicContact CD1-CG 4.11Å; Y150-M190 HydrophobicContact CD1-SD 3.8Å; Y150-M190 HydrophobicContact CE1-SD 3.97Å; Y150-M190 PolarHBondContact N-O 3.08Å; Y150-M190 PolarHBondContact O-N 3.25Å
151	F	98.7	Very high	98.2	Very high	7 Å²	7	14 Å²	14	3%	0.031	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.3	175.1	74.5	-79.9	0	0	0	115.1	F144 V147 V153 F162 S163 A170 F172 V187 R188 V189	F144-F151 HydrophobicContact CB-CE2 4.38Å; F144-F151 HydrophobicContact CB-CZ 4Å; F144-F151 HydrophobicContact CD1-CE2 4.14Å; F144-F151 AromaticContact CD2-CE2 3.73Å; F144-F151 HydrophobicContact CD2-CE2 3.73Å; F144-F151 HydrophobicContact CD2-CZ 4.05Å; F144-F151 HydrophobicContact CE1-CE2 4.37Å; F144-F151 AromaticContact CE2-CE2 3.97Å; F144-F151 HydrophobicContact CE2-CE2 3.97Å; F144-F151 AromaticContact CG-CE2 3.83Å; F144-F151 HydrophobicContact CG-CE2 3.83Å; F144-F151 AromaticContact CG-CZ 3.96Å; F144-F151 HydrophobicContact CG-CZ 3.96Å; F144-F151 HydrophobicContact CZ-CE2 4.29Å; V147-F151 HydrophobicContact CB-CD1 3.6Å; V147-F151 HydrophobicContact CB-CE1 3.91Å; V147-F151 HydrophobicContact CB-CG 4.12Å; V147-F151 HydrophobicContact CG1-CB 3.69Å; V147-F151 HydrophobicContact CG1-CD1 3.67Å; V147-F151 HydrophobicContact CG1-CE1 4.44Å; V147-F151 HydrophobicContact CG1-CG 3.76Å; V147-F151 HydrophobicContact CG2-CD1 4.07Å; V147-F151 HydrophobicContact CG2-CE1 4.04Å; V147-F151 HydrophobicContact CG2-CG 4.35Å; V147-F151 HydrophobicContact CG2-CZ 4.33Å; F151-V153 HydrophobicContact CD2-CG2 3.62Å; F151-V153 HydrophobicContact CE2-CG2 3.45Å; F151-V153 VanDerWaalsContact CE2-CG2 3.45Å; F151-F162 CarbonylContact O-C 3.59Å; F151-F162 WeakPolarHBondContact O-CA 3.49Å; F151-F162 WeakPolarHBondContact O-CB 3.4Å; F151-S163 PolarHBondContact N-O 2.92Å; F151-S163 PolarHBondContact O-N 2.68Å; F151-A170 HydrophobicContact CE1-CB 4.24Å; F151-A170 HydrophobicContact CZ-CB 3.75Å; F151-F172 AromaticContact CE2-CE2 3.81Å; F151-F172 HydrophobicContact CE2-CE2 3.81Å; F151-F172 HydrophobicContact CE2-CZ 4.28Å; F151-F172 AromaticContact CZ-CE2 3.9Å; F151-F172 HydrophobicContact CZ-CE2 3.9Å; F151-F172 HydrophobicContact CZ-CZ 4.3Å; F151-V187 HydrophobicContact CB-CG1 4.21Å; F151-V187 HydrophobicContact CD2-CG1 3.96Å; F151-R188 CarbonylContact C-O 3.59Å; F151-R188 WeakPolarHBondContact CA-O 3.43Å; F151-R188 WeakPolarHBondContact CB-O 3.31Å; F151-V189 HydrophobicContact CB-CB 4.4Å; F151-V189 HydrophobicContact CB-CG2 3.83Å
152	E	98.6	Very high	98.2	Very high	11 Å²	11	13.8 Å²	13.8	5%	0.051	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.5	173.4	-55.3	-177.6	127.4	0	0	110.1	R15 Y150 Y154 Y159 G161 F162 V187 R188	R15-E152 IonicContact NH1-OE1 3.54Å; R15-E152 PolarHBondContact NH1-OE1 3.41Å; R15-E152 VanDerWaalsContact NH1-OE1 3.13Å; Y150-E152 HydrophobicContact CE1-CG 3.56Å; Y150-E152 WeakPolarHBondContact OH-CG 3.4Å; Y150-E152 PolarHBondContact OH-OE1 2.88Å; E152-Y154 HydrophobicContact CB-CE2 3.67Å; E152-Y154 PolarHBondContact OE2-OH 3.32Å; E152-Y154 VanDerWaalsContact OE2-OH 3.13Å; E152-Y159 HydrophobicContact CB-CE2 4.44Å; E152-G161 WeakPolarHBondContact CA-O 3.33Å; E152-F162 HydrophobicContact CG-CB 4.07Å; E152-V187 WeakPolarHBondContact O-CA 3.25Å; E152-R188 HydrophobicContact CB-CB 4.37Å; E152-R188 PolarHBondContact N-O 3.24Å; E152-R188 PolarHBondContact O-N 2.7Å; E152-R188 IonicContact OE2-CZ 2.69Å; E152-R188 IonicContact OE2-NE 2.72Å; E152-R188 IonicContact OE2-NH1 3.69Å; E152-R188 PolarHBondContact OE2-NH1 3.38Å
153	V	98.8	Very high	98.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.8	-179.4	-173.9	0	0	0	0	110	F144 F151 V160 G161 F172 L185	F144-V153 HydrophobicContact CE2-CG1 4.32Å; F144-V153 HydrophobicContact CE2-CG2 3.64Å; F144-V153 HydrophobicContact CZ-CG1 4.3Å; F144-V153 HydrophobicContact CZ-CG2 3.79Å; F151-V153 HydrophobicContact CD2-CG2 3.62Å; F151-V153 HydrophobicContact CE2-CG2 3.45Å; F151-V153 VanDerWaalsContact CE2-CG2 3.45Å; V153-V160 HydrophobicContact CB-CB 3.97Å; V153-V160 HydrophobicContact CB-CG1 4.4Å; V153-V160 HydrophobicContact CB-CG2 4.43Å; V153-V160 HydrophobicContact CG1-CB 4.01Å; V153-V160 HydrophobicContact CG1-CG1 4.35Å; V153-V160 HydrophobicContact CG1-CG2 3.97Å; V153-V160 VanDerWaalsContact O-CB 3.31Å; V153-V160 WeakPolarHBondContact O-CB 3.34Å; V153-V160 PolarHBondContact O-N 2.86Å; V153-G161 PolarHBondContact N-O 2.9Å; V153-F172 HydrophobicContact CG2-CD2 4.34Å; V153-F172 HydrophobicContact CG2-CE2 4.06Å; V153-L185 HydrophobicContact CG1-CD1 3.8Å
154	Y	98.8	Very high	98.2	Very high	25 Å²	25	14.1 Å²	14.1	10%	0.098	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.3	174.7	-56.8	-100.8	0	0	0	110.1	T76 E152 Q158 Y159 C186	T76-Y154 HydrophobicContact CG2-CD1 3.53Å; T76-Y154 HydrophobicContact CG2-CD2 3.82Å; T76-Y154 HydrophobicContact CG2-CE1 3.7Å; T76-Y154 HydrophobicContact CG2-CE2 3.98Å; T76-Y154 HydrophobicContact CG2-CG 3.6Å; E152-Y154 HydrophobicContact CB-CE2 3.67Å; E152-Y154 PolarHBondContact OE2-OH 3.32Å; E152-Y154 VanDerWaalsContact OE2-OH 3.13Å; Y154-Q158 CarbonylContact C-O 3.58Å; Y154-Q158 WeakPolarHBondContact CA-O 3.32Å; Y154-Q158 WeakPolarHBondContact CB-O 3.4Å; Y154-Y159 HydrophobicContact CD1-CD2 4.13Å; Y154-Y159 AromaticContact CE1-CD2 3.55Å; Y154-Y159 HydrophobicContact CE1-CD2 3.55Å; Y154-Y159 HydrophobicContact CE1-CG 4.15Å; Y154-Y159 HydrophobicContact CE2-CD2 4.44Å; Y154-Y159 AromaticContact CZ-CD2 3.72Å; Y154-C186 PolarHBondContact N-O 3.24Å; Y154-C186 PolarHBondContact O-N 2.85Å
155	V	98.7	Very high	98.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.6	175.1	173.7	0	0	0	0	108.7	G157 Q158 V160 I174 M177 V178 L184 L185	V155-G157 VanDerWaalsContact C-N 3.3Å; V155-G157 PolarHBondContact O-N 2.88Å; V155-Q158 PolarHBondContact N-O 2.68Å; V155-Q158 WeakPolarHBondContact O-CB 3.49Å; V155-Q158 PolarHBondContact O-N 2.79Å; V155-V160 HydrophobicContact CB-CG2 4.12Å; V155-V160 HydrophobicContact CG2-CG2 3.8Å; V155-I174 HydrophobicContact CG2-CB 4.37Å; V155-I174 HydrophobicContact CG2-CD1 4.25Å; V155-I174 HydrophobicContact CG2-CG2 4.1Å; V155-M177 HydrophobicContact CB-CB 3.99Å; V155-M177 HydrophobicContact CG1-CB 3.95Å; V155-V178 HydrophobicContact CG1-CG1 3.86Å; V155-L184 CarbonylContact C-O 3.38Å; V155-L184 WeakPolarHBondContact CA-O 3.37Å; V155-L185 HydrophobicContact CG2-CD1 3.94Å
156	N	98.3	Very high	98.1	Very high	47 Å²	47	14.3 Å²	14.3	25%	0.251	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	44	178.9	-62.9	-39.2	0	0	0	113.6	Q158 M177 N183 L184	N156-Q158 PolarHBondContact O-N 2.89Å; N156-M177 PolarHBondContact ND2-O 3.23Å; N156-N183 PolarHBondContact ND2-OD1 3.45Å; N156-N183 WeakPolarHBondContact OD1-CA 3.31Å; N156-L184 PolarHBondContact N-O 2.81Å; N156-L184 PolarHBondContact OD1-N 2.72Å
157	G	97.9	Very high	98.1	Very high	30 Å²	30	14.4 Å²	14.4	31%	0.309	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-5.4	-178	0	0	0	0	0	115.3	T76 V155	T76-G157 WeakPolarHBondContact O-CA 3.45Å; T76-G157 PolarHBondContact O-N 3.36Å; V155-G157 VanDerWaalsContact C-N 3.3Å; V155-G157 PolarHBondContact O-N 2.88Å
158	Q	98.3	Very high	98	Very high	99 Å²	99	14.6 Å²	14.6	46%	0.463	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.2	-179.3	-57.8	-174.5	19.4	0	0	110.6	Y154 V155 N156 M177	Y154-Q158 CarbonylContact C-O 3.58Å; Y154-Q158 WeakPolarHBondContact CA-O 3.32Å; Y154-Q158 WeakPolarHBondContact CB-O 3.4Å; V155-Q158 PolarHBondContact N-O 2.68Å; V155-Q158 WeakPolarHBondContact O-CB 3.49Å; V155-Q158 PolarHBondContact O-N 2.79Å; N156-Q158 PolarHBondContact O-N 2.89Å; Q158-M177 HydrophobicContact CB-CG 4.24Å; Q158-M177 HydrophobicContact CB-SD 3.91Å
159	Y	98.3	Very high	98	Very high	52 Å²	52	15.8 Å²	15.8	20%	0.204	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.3	174.7	174.2	-101.2	0	0	0	110.6	R15 E24 E152 Y154 G161 F162 M177	R15-Y159 PolarHBondContact NH1-OH 3.38Å; R15-Y159 PolarHBondContact NH2-OH 2.66Å; E24-Y159 HydrophobicContact CG-CE1 4.41Å; E24-Y159 WeakPolarHBondContact OE1-CE1 3.34Å; E24-Y159 PolarHBondContact OE2-OH 2.86Å; E152-Y159 HydrophobicContact CB-CE2 4.44Å; Y154-Y159 HydrophobicContact CD1-CD2 4.13Å; Y154-Y159 AromaticContact CE1-CD2 3.55Å; Y154-Y159 HydrophobicContact CE1-CD2 3.55Å; Y154-Y159 HydrophobicContact CE1-CG 4.15Å; Y154-Y159 HydrophobicContact CE2-CD2 4.44Å; Y154-Y159 AromaticContact CZ-CD2 3.72Å; Y159-G161 VanDerWaalsContact CZ-CA 3.46Å; Y159-F162 WeakPolarHBondContact OH-CD1 3.26Å; Y159-M177 WeakPolarHBondContact O-CE 3.39Å
160	V	98.7	Very high	98.2	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.018	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-54.4	177.6	176.6	0	0	0	0	110.2	N25 V153 V155 F172 I174 M177	N25-V160 WeakPolarHBondContact CB-O 3.31Å; N25-V160 PolarHBondContact ND2-O 2.87Å; V153-V160 HydrophobicContact CB-CB 3.97Å; V153-V160 HydrophobicContact CB-CG1 4.4Å; V153-V160 HydrophobicContact CB-CG2 4.43Å; V153-V160 HydrophobicContact CG1-CB 4.01Å; V153-V160 HydrophobicContact CG1-CG1 4.35Å; V153-V160 HydrophobicContact CG1-CG2 3.97Å; V153-V160 VanDerWaalsContact O-CB 3.31Å; V153-V160 WeakPolarHBondContact O-CB 3.34Å; V153-V160 PolarHBondContact O-N 2.86Å; V155-V160 HydrophobicContact CB-CG2 4.12Å; V155-V160 HydrophobicContact CG2-CG2 3.8Å; V160-F172 HydrophobicContact CG1-CB 3.5Å; V160-F172 HydrophobicContact CG1-CD1 4.01Å; V160-F172 HydrophobicContact CG1-CG 3.88Å; V160-I174 HydrophobicContact CB-CG2 4.41Å; V160-I174 HydrophobicContact CG1-CG2 3.68Å; V160-I174 HydrophobicContact CG2-CG2 3.75Å; V160-M177 HydrophobicContact CB-SD 4.23Å; V160-M177 HydrophobicContact CG2-CE 4.37Å; V160-M177 HydrophobicContact CG2-SD 3.45Å; V160-M177 WeakPolarHBondContact CG2-SD 3.43Å
161	G	98.5	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-176.9	-169.8	0	0	0	0	0	112.2	E24 E152 V153 Y159	E24-G161 WeakPolarHBondContact O-CA 3.48Å; E152-G161 WeakPolarHBondContact CA-O 3.33Å; V153-G161 PolarHBondContact N-O 2.9Å; Y159-G161 VanDerWaalsContact CZ-CA 3.46Å
162	F	98.5	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.4	173.8	86.2	-102.2	0	0	0	111	R15 L21 H23 E24 Y150 F151 E152 Y159 K164	R15-F162 HydrophobicContact CB-CE1 4.21Å; R15-F162 HydrophobicContact CB-CZ 4.32Å; R15-F162 HydrophobicContact CG-CE1 4.17Å; L21-F162 HydrophobicContact CB-CZ 4.25Å; L21-F162 HydrophobicContact CD2-CE1 3.55Å; L21-F162 HydrophobicContact CD2-CZ 3.65Å; L21-F162 HydrophobicContact CG-CE1 3.87Å; L21-F162 HydrophobicContact CG-CZ 3.58Å; L21-F162 WeakPolarHBondContact O-CZ 3.48Å; H23-F162 VanDerWaalsContact CA-O 3.28Å; H23-F162 WeakPolarHBondContact CA-O 3.27Å; H23-F162 WeakPolarHBondContact CB-O 3.38Å; E24-F162 HydrophobicContact CB-CD1 3.46Å; E24-F162 VanDerWaalsContact CB-CD1 3.46Å; E24-F162 HydrophobicContact CB-CE1 3.6Å; E24-F162 HydrophobicContact CB-CG 4.42Å; E24-F162 PolarHBondContact N-O 3.26Å; E24-F162 PolarHBondContact O-N 2.87Å; E24-F162 VanDerWaalsContact O-N 3.08Å; Y150-F162 AromaticContact CD2-CD2 3.9Å; Y150-F162 HydrophobicContact CD2-CD2 3.9Å; Y150-F162 HydrophobicContact CD2-CE2 4.22Å; Y150-F162 HydrophobicContact CE2-CB 4.2Å; Y150-F162 HydrophobicContact CE2-CD1 4.5Å; Y150-F162 AromaticContact CE2-CD2 3.15Å; Y150-F162 HydrophobicContact CE2-CD2 3.15Å; Y150-F162 AromaticContact CE2-CE2 3.5Å; Y150-F162 HydrophobicContact CE2-CE2 3.5Å; Y150-F162 AromaticContact CE2-CG 3.73Å; Y150-F162 HydrophobicContact CE2-CG 3.73Å; Y150-F162 HydrophobicContact CE2-CZ 4.27Å; Y150-F162 AromaticContact CZ-CD2 3.82Å; Y150-F162 AromaticContact CZ-CG 3.9Å; Y150-F162 WeakPolarHBondContact OH-CG 3.29Å; F151-F162 CarbonylContact O-C 3.59Å; F151-F162 WeakPolarHBondContact O-CA 3.49Å; F151-F162 WeakPolarHBondContact O-CB 3.4Å; E152-F162 HydrophobicContact CG-CB 4.07Å; Y159-F162 WeakPolarHBondContact OH-CD1 3.26Å; F162-K164 HydrophobicContact CE2-CG 4.27Å
163	S	98.6	Very high	98.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153	171.2	-174.7	0	0	0	0	112.9	R26 F151	R26-S163 WeakPolarHBondContact CD-OG 3.16Å; R26-S163 PolarHBondContact NH1-OG 2.62Å; F151-S163 PolarHBondContact N-O 2.92Å; F151-S163 PolarHBondContact O-N 2.68Å
164	K	98	Very high	98.2	Very high	7 Å²	7	18.3 Å²	18.3	3%	0.03	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	167.1	164.8	-58.5	176.9	-167.2	171	0	110.4	R15 N18 L21 T22 Y150 F162 D194 R442	R15-K164 VanDerWaalsContact O-CE 3.27Å; R15-K164 WeakPolarHBondContact O-CE 3.39Å; R15-K164 PolarHBondContact O-NZ 2.94Å; N18-K164 PolarHBondContact O-NZ 2.89Å; L21-K164 WeakPolarHBondContact O-CE 3.17Å; L21-K164 PolarHBondContact O-NZ 3.07Å; T22-K164 WeakPolarHBondContact O-CB 3.25Å; T22-K164 PolarHBondContact O-N 2.92Å; Y150-K164 HydrophobicContact CD2-CD 4.46Å; Y150-K164 HydrophobicContact CD2-CG 3.84Å; F162-K164 HydrophobicContact CE2-CG 4.27Å; K164-D194 WeakPolarHBondContact CD-OD1 3.34Å; K164-D194 VanDerWaalsContact NZ-CG 3.26Å; K164-D194 IonicContact NZ-OD1 3.13Å; K164-D194 PolarHBondContact NZ-OD1 2.9Å; K164-D194 VanDerWaalsContact NZ-OD1 3.09Å; K164-D194 IonicContact NZ-OD2 3.53Å; K164-D194 PolarHBondContact NZ-OD2 2.82Å; K164-R442 PolarHBondContact O-NH1 2.87Å
165	G	97	Very high	98.1	Very high	5 Å²	5	19 Å²	19	5%	0.052	11%	0.107	C	C	.	.			trans	93.5	87.3	-177.8	0	0	0	0	0	110.4	R167 L168 E199	G165-R167 VanDerWaalsContact C-N 3.32Å; G165-R167 PolarHBondContact O-N 3.08Å; G165-L168 PolarHBondContact O-N 2.84Å; G165-E199 WeakPolarHBondContact CA-OE1 3.33Å
166	S	97.7	Very high	98	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-32.6	-160.9	-56.3	0	0	0	0	113.9	G146 V147 T149 E199 F210	G146-S166 VanDerWaalsContact CA-O 3.24Å; G146-S166 WeakPolarHBondContact CA-O 3.37Å; V147-S166 PolarHBondContact N-O 3.42Å; V147-S166 VanDerWaalsContact N-O 3.12Å; V147-S166 WeakPolarHBondContact O-CA 3.35Å; V147-S166 WeakPolarHBondContact O-CB 3.48Å; T149-S166 WeakPolarHBondContact CA-OG 3.3Å; S166-E199 VanDerWaalsContact CB-OE2 3.24Å; S166-E199 WeakPolarHBondContact CB-OE2 3.42Å; S166-E199 PolarHBondContact N-OE1 2.86Å; S166-E199 PolarHBondContact OG-OE1 2.85Å; S166-E199 PolarHBondContact OG-OE2 3.32Å; S166-F210 VanDerWaalsContact O-CE1 3.26Å; S166-F210 WeakPolarHBondContact O-CE1 3.32Å; S166-F210 WeakPolarHBondContact O-CZ 3.47Å
167	R	97.4	Very high	98	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.008	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	12.1	-177.1	-63.9	98.8	178.5	133.1	9.1	114	E148 G165 E199 M203 F210 R211 Y389 D411	E148-R167 IonicContact OE1-CZ 3.23Å; E148-R167 IonicContact OE1-NH1 3.79Å; E148-R167 PolarHBondContact OE1-NH1 2.85Å; E148-R167 VanDerWaalsContact OE1-NH1 3.15Å; E148-R167 IonicContact OE1-NH2 3.01Å; E148-R167 PolarHBondContact OE1-NH2 3.02Å; E148-R167 IonicContact OE2-CZ 3.78Å; E148-R167 IonicContact OE2-NE 2.67Å; E148-R167 IonicContact OE2-NH1 3.95Å; E148-R167 PolarHBondContact OE2-NH1 2.88Å; E148-R167 IonicContact OE2-NH2 3Å; E148-R167 PolarHBondContact OE2-NH2 2.67Å; G165-R167 VanDerWaalsContact C-N 3.32Å; G165-R167 PolarHBondContact O-N 3.08Å; R167-E199 IonicContact NH1-OE2 3.22Å; R167-E199 PolarHBondContact NH1-OE2 2.83Å; R167-M203 PolarHBondContact NH2-SD 3.35Å; R167-F210 HydrophobicContact CG-CE2 4.46Å; R167-F210 HydrophobicContact CG-CZ 3.95Å; R167-R211 PolarHBondContact O-NH1 2.76Å; R167-Y389 HydrophobicContact CB-CD2 4.07Å; R167-Y389 HydrophobicContact CB-CG 4.11Å; R167-Y389 HydrophobicContact CG-CD1 4.09Å; R167-Y389 HydrophobicContact CG-CD2 3.54Å; R167-Y389 HydrophobicContact CG-CE2 4.07Å; R167-Y389 HydrophobicContact CG-CG 3.55Å; R167-D411 HydrophobicContact CB-CB 4.47Å; R167-D411 VanDerWaalsContact CD-CG 3.5Å; R167-D411 VanDerWaalsContact CD-OD1 3.24Å; R167-D411 WeakPolarHBondContact CD-OD1 3.49Å; R167-D411 WeakPolarHBondContact CD-OD2 3.48Å; R167-D411 PolarHBondContact N-OD2 3.17Å
168	L	97.7	Very high	98	Very high	9 Å²	9	23 Å²	23	5%	0.047	13%	0.134	C	C	.	.	S	Bend	trans	-114.4	128.8	-178	-66.3	165.6	0	0	0	110.8	G165 A170 P390 R439 R442 H443	G165-L168 PolarHBondContact O-N 2.84Å; L168-A170 PolarHBondContact O-N 2.94Å; L168-P390 HydrophobicContact CD2-CG 3.81Å; L168-R439 HydrophobicContact CD1-CB 4Å; L168-R439 HydrophobicContact CD1-CG 3.84Å; L168-R442 HydrophobicContact CD1-CB 4.31Å; L168-R442 HydrophobicContact CD2-CB 4.04Å; L168-R442 PolarHBondContact O-NH2 3.39Å; L168-H443 HydrophobicContact CD2-CB 4.08Å
169	T	97.1	Very high	97.9	Very high	29 Å²	29	24.2 Å²	24.2	18%	0.178	14%	0.138	C	C	.	.			trans	-54.2	137	177.4	-58.9	0	0	0	0	111.4	F144 D145 E171 R442	F144-T169 CarbonylContact O-C 3.6Å; F144-T169 VanDerWaalsContact O-CA 3.29Å; F144-T169 WeakPolarHBondContact O-CA 3.33Å; D145-T169 WeakPolarHBondContact OD1-CG2 3.2Å; D145-T169 PolarHBondContact OD1-OG1 2.72Å; T169-E171 HydrophobicContact CG2-CG 4.13Å; T169-R442 PolarHBondContact O-NH2 2.85Å
170	A	98.3	Very high	97.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.6	174	0	0	0	0	0	110	R26 K143 F144 F151 L168 F172	R26-A170 HydrophobicContact CG-CB 4.13Å; K143-A170 WeakPolarHBondContact CA-O 3.49Å; F144-A170 PolarHBondContact N-O 3.19Å; F144-A170 PolarHBondContact O-N 2.89Å; F151-A170 HydrophobicContact CE1-CB 4.24Å; F151-A170 HydrophobicContact CZ-CB 3.75Å; L168-A170 PolarHBondContact O-N 2.94Å; A170-F172 HydrophobicContact CB-CE2 4.1Å
171	E	98.4	Very high	97.8	Very high	15 Å²	15	25.8 Å²	25.8	7%	0.07	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.6	-179.5	-54.4	-169.3	-164.3	0	0	110.4	R26 L27 R30 I142 K143 T169	R26-E171 CarbonylContact C-O 3.58Å; R26-E171 WeakPolarHBondContact CA-O 3.41Å; R26-E171 WeakPolarHBondContact CG-O 3.43Å; L27-E171 HydrophobicContact CB-CB 4.28Å; L27-E171 HydrophobicContact CD1-CB 4.25Å; L27-E171 PolarHBondContact N-O 2.92Å; R30-E171 IonicContact CZ-OE1 3.59Å; R30-E171 IonicContact CZ-OE2 2.76Å; R30-E171 IonicContact NE-OE1 2.75Å; R30-E171 PolarHBondContact NE-OE1 2.88Å; R30-E171 IonicContact NE-OE2 2.6Å; R30-E171 PolarHBondContact NE-OE2 3.16Å; R30-E171 IonicContact NH2-OE1 3.23Å; R30-E171 IonicContact NH2-OE2 3.5Å; R30-E171 PolarHBondContact NH2-OE2 2.88Å; I142-E171 WeakPolarHBondContact O-CA 3.21Å; K143-E171 HydrophobicContact CD-CG 3.82Å; K143-E171 WeakPolarHBondContact CD-OE1 3.3Å; K143-E171 WeakPolarHBondContact CE-OE1 3.31Å; K143-E171 WeakPolarHBondContact CE-OE2 3.33Å; K143-E171 HydrophobicContact CG-CG 3.85Å; K143-E171 VanDerWaalsContact NZ-CD 3.31Å; K143-E171 IonicContact NZ-OE1 3.94Å; K143-E171 PolarHBondContact NZ-OE1 2.85Å; K143-E171 IonicContact NZ-OE2 3.54Å; K143-E171 PolarHBondContact NZ-OE2 3.22Å; T169-E171 HydrophobicContact CG2-CG 4.13Å
172	F	98.8	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.3	175	-55.1	-93.4	0	0	0	110.5	E24 R26 L141 I142 F144 F151 V153 V160 A170	E24-F172 WeakPolarHBondContact O-CE1 2.92Å; R26-F172 HydrophobicContact CB-CD1 4.26Å; R26-F172 HydrophobicContact CB-CE1 3.7Å; R26-F172 HydrophobicContact CB-CZ 4.07Å; R26-F172 HydrophobicContact CG-CE1 4.27Å; R26-F172 HydrophobicContact CG-CZ 4.23Å; L141-F172 WeakPolarHBondContact CA-O 3.48Å; I142-F172 HydrophobicContact CG2-CB 3.84Å; I142-F172 HydrophobicContact CG2-CD2 4.27Å; I142-F172 PolarHBondContact N-O 2.74Å; I142-F172 PolarHBondContact O-N 3.19Å; F144-F172 HydrophobicContact CD2-CD2 4.34Å; F144-F172 HydrophobicContact CD2-CE2 4.28Å; F144-F172 HydrophobicContact CE2-CD2 4.36Å; F144-F172 HydrophobicContact CE2-CE2 4.49Å; F151-F172 AromaticContact CE2-CE2 3.81Å; F151-F172 HydrophobicContact CE2-CE2 3.81Å; F151-F172 HydrophobicContact CE2-CZ 4.28Å; F151-F172 AromaticContact CZ-CE2 3.9Å; F151-F172 HydrophobicContact CZ-CE2 3.9Å; F151-F172 HydrophobicContact CZ-CZ 4.3Å; V153-F172 HydrophobicContact CG2-CD2 4.34Å; V153-F172 HydrophobicContact CG2-CE2 4.06Å; V160-F172 HydrophobicContact CG1-CB 3.5Å; V160-F172 HydrophobicContact CG1-CD1 4.01Å; V160-F172 HydrophobicContact CG1-CG 3.88Å; A170-F172 HydrophobicContact CB-CE2 4.1Å
173	D	98.3	Very high	97.8	Very high	58 Å²	58	30.4 Å²	30.4	31%	0.31	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	114.5	170.4	-170.7	-17.9	0	0	0	109.9	L27 Q139 L141 S175	L27-D173 HydrophobicContact CD2-CB 4.45Å; Q139-D173 WeakPolarHBondContact CG-OD2 3.1Å; Q139-D173 PolarHBondContact NE2-OD2 2.61Å; L141-D173 HydrophobicContact CD2-CB 3.9Å; D173-S175 WeakPolarHBondContact OD1-CB 3.46Å; D173-S175 PolarHBondContact OD1-N 3.22Å; D173-S175 PolarHBondContact OD1-OG 2.81Å
174	I	98.4	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.			trans	-107.8	10.2	-179.7	61.7	170.1	0	0	0	112.5	F129 T140 I142 V155 V160 A176 M177 V178 L215	F129-I174 HydrophobicContact CZ-CD1 4.26Å; T140-I174 HydrophobicContact CG2-CD1 3.99Å; T140-I174 HydrophobicContact CG2-CG1 3.77Å; T140-I174 VanDerWaalsContact O-CG1 3.3Å; T140-I174 WeakPolarHBondContact O-CG1 3.08Å; T140-I174 PolarHBondContact O-N 2.75Å; I142-I174 HydrophobicContact CB-CD1 4.13Å; I142-I174 HydrophobicContact CG2-CD1 4.39Å; I142-I174 HydrophobicContact CG2-CG2 3.7Å; V155-I174 HydrophobicContact CG2-CB 4.37Å; V155-I174 HydrophobicContact CG2-CD1 4.25Å; V155-I174 HydrophobicContact CG2-CG2 4.1Å; V160-I174 HydrophobicContact CB-CG2 4.41Å; V160-I174 HydrophobicContact CG1-CG2 3.68Å; V160-I174 HydrophobicContact CG2-CG2 3.75Å; I174-A176 PolarHBondContact O-N 3.22Å; I174-A176 VanDerWaalsContact O-N 3.15Å; I174-M177 PolarHBondContact O-N 2.92Å; I174-V178 HydrophobicContact CB-CG1 4.23Å; I174-V178 HydrophobicContact CD1-CG1 3.55Å; I174-V178 HydrophobicContact CG1-CG1 3.81Å; I174-V178 PolarHBondContact O-N 3.1Å; I174-V178 VanDerWaalsContact O-N 3.1Å; I174-L215 HydrophobicContact CD1-CD2 3.89Å
175	S	97.5	Very high	97.8	Very high	40 Å²	40	30.9 Å²	30.9	28%	0.28	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-38.6	-173.7	-54.1	0	0	0	0	113.3	Q139 T140 D173 M177	Q139-S175 WeakPolarHBondContact CA-OG 3.26Å; T140-S175 PolarHBondContact N-OG 2.92Å; D173-S175 WeakPolarHBondContact OD1-CB 3.46Å; D173-S175 PolarHBondContact OD1-N 3.22Å; D173-S175 PolarHBondContact OD1-OG 2.81Å; S175-M177 VanDerWaalsContact C-N 3.27Å; S175-M177 PolarHBondContact O-N 3.04Å
176	A	96.5	Very high	97.9	Very high	96 Å²	96	30.6 Å²	30.6	79%	0.793	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-14.5	-179.2	0	0	0	0	0	113.9	I174	I174-A176 PolarHBondContact O-N 3.22Å; I174-A176 VanDerWaalsContact O-N 3.15Å
177	M	97.5	Very high	98	Very high	38 Å²	38	30.6 Å²	30.6	19%	0.187	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-22.5	-171.2	-52.2	-175.7	-167.3	0	0	112.3	V155 N156 Q158 Y159 V160 I174 S175	V155-M177 HydrophobicContact CB-CB 3.99Å; V155-M177 HydrophobicContact CG1-CB 3.95Å; N156-M177 PolarHBondContact ND2-O 3.23Å; Q158-M177 HydrophobicContact CB-CG 4.24Å; Q158-M177 HydrophobicContact CB-SD 3.91Å; Y159-M177 WeakPolarHBondContact O-CE 3.39Å; V160-M177 HydrophobicContact CB-SD 4.23Å; V160-M177 HydrophobicContact CG2-CE 4.37Å; V160-M177 HydrophobicContact CG2-SD 3.45Å; V160-M177 WeakPolarHBondContact CG2-SD 3.43Å; I174-M177 PolarHBondContact O-N 2.92Å; S175-M177 VanDerWaalsContact C-N 3.27Å; S175-M177 PolarHBondContact O-N 3.04Å
178	V	97.9	Very high	98	Very high	26 Å²	26	32.4 Å²	32.4	16%	0.158	19%	0.189	C	C	.	.			trans	-85.8	156.7	177.8	-62.6	0	0	0	0	112.5	F129 L131 T140 V155 I174 N183	F129-V178 HydrophobicContact CE2-CG1 4.22Å; F129-V178 HydrophobicContact CZ-CG1 3.83Å; L131-V178 HydrophobicContact CD1-CB 3.74Å; L131-V178 HydrophobicContact CD1-CG1 4.25Å; L131-V178 HydrophobicContact CD1-CG2 3.81Å; T140-V178 HydrophobicContact CG2-CG2 4.31Å; V155-V178 HydrophobicContact CG1-CG1 3.86Å; I174-V178 HydrophobicContact CB-CG1 4.23Å; I174-V178 HydrophobicContact CD1-CG1 3.55Å; I174-V178 HydrophobicContact CG1-CG1 3.81Å; I174-V178 PolarHBondContact O-N 3.1Å; I174-V178 VanDerWaalsContact O-N 3.1Å; V178-N183 VanDerWaalsContact CA-OD1 3.3Å; V178-N183 WeakPolarHBondContact CA-OD1 3.48Å
179	K	97.3	Very high	98.1	Very high	125 Å²	125	32 Å²	32	54%	0.543	19%	0.187	S	C	.	.			trans	-132.6	159	173	60.2	-175.2	177.4	-171.2	0	110.2	D182 N183	K179-D182 WeakPolarHBondContact CE-O 3.32Å; K179-N183 WeakPolarHBondContact CG-OD1 3.32Å; K179-N183 PolarHBondContact N-OD1 3.39Å; K179-N183 PolarHBondContact O-ND2 3.31Å; K179-N183 PolarHBondContact O-OD1 3.16Å
180	T	96.9	Very high	98.1	Very high	64 Å²	64	30.7 Å²	30.7	39%	0.393	18%	0.179	S	C	.	.	S	Bend	trans	-57.3	139.4	165.4	-50.9	0	0	0	0	110	D133 Q136	D133-T180 WeakPolarHBondContact OD1-CG2 3.41Å; Q136-T180 VanDerWaalsContact CG-OG1 3.26Å; Q136-T180 WeakPolarHBondContact CG-OG1 3.37Å; Q136-T180 PolarHBondContact NE2-OG1 3.14Å
181	G	97.7	Very high	98.1	Very high	24 Å²	24	31.3 Å²	31.3	25%	0.247	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.7	-151	-173.3	0	0	0	0	0	112.1	T130 L131 N183	T130-G181 CarbonylContact C-O 3.49Å; T130-G181 WeakPolarHBondContact CA-O 3.36Å; L131-G181 PolarHBondContact N-O 3.44Å; L131-G181 PolarHBondContact O-N 2.85Å; G181-N183 PolarHBondContact O-ND2 3.39Å
182	D	98.2	Very high	98.1	Very high	95 Å²	95	31.5 Å²	31.5	51%	0.508	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	133.7	-172.2	-64.8	-15.6	0	0	0	112.4	I128 T130 K179	I128-D182 HydrophobicContact CG2-CB 3.92Å; T130-D182 WeakPolarHBondContact CB-OD1 3.17Å; T130-D182 WeakPolarHBondContact CG2-OD1 3.3Å; T130-D182 PolarHBondContact OG1-OD1 3.28Å; K179-D182 WeakPolarHBondContact CE-O 3.32Å
183	N	98.6	Very high	98	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.011	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.4	175.7	-64.6	-88	0	0	0	109.4	I128 F129 N156 V178 K179 G181	I128-N183 VanDerWaalsContact CA-O 3.3Å; I128-N183 WeakPolarHBondContact CA-O 3.35Å; F129-N183 HydrophobicContact CD1-CB 4.08Å; F129-N183 HydrophobicContact CD2-CB 4.19Å; F129-N183 HydrophobicContact CE1-CB 3.55Å; F129-N183 HydrophobicContact CE2-CB 3.69Å; F129-N183 HydrophobicContact CG-CB 4.38Å; F129-N183 HydrophobicContact CZ-CB 3.37Å; F129-N183 PolarHBondContact N-O 3.38Å; F129-N183 PolarHBondContact O-N 2.95Å; N156-N183 PolarHBondContact ND2-OD1 3.45Å; N156-N183 WeakPolarHBondContact OD1-CA 3.31Å; V178-N183 VanDerWaalsContact CA-OD1 3.3Å; V178-N183 WeakPolarHBondContact CA-OD1 3.48Å; K179-N183 WeakPolarHBondContact CG-OD1 3.32Å; K179-N183 PolarHBondContact N-OD1 3.39Å; K179-N183 PolarHBondContact O-ND2 3.31Å; K179-N183 PolarHBondContact O-OD1 3.16Å; G181-N183 PolarHBondContact O-ND2 3.39Å
184	L	98.6	Very high	98	Very high	18 Å²	18	28.8 Å²	28.8	9%	0.094	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.7	173.3	-179.9	63.6	0	0	0	109	L79 Q126 I128 V155 N156 C186	L79-L184 HydrophobicContact CD1-CD1 3.85Å; Q126-L184 HydrophobicContact CB-CD1 4.16Å; I128-L184 HydrophobicContact CG1-CD1 4.25Å; V155-L184 CarbonylContact C-O 3.38Å; V155-L184 WeakPolarHBondContact CA-O 3.37Å; N156-L184 PolarHBondContact N-O 2.81Å; N156-L184 PolarHBondContact OD1-N 2.72Å; L184-C186 VanDerWaalsContact CG-SG 3.59Å
185	L	98.8	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.7	167.9	176.6	58.2	0	0	0	108.9	L56 W60 Q126 R127 F129 I142 V153 V155 V187	L56-L185 HydrophobicContact CD1-CD2 3.72Å; W60-L185 HydrophobicContact CH2-CD2 3.36Å; W60-L185 HydrophobicContact CH2-CG 3.87Å; W60-L185 HydrophobicContact CZ2-CD2 4.14Å; W60-L185 HydrophobicContact CZ3-CD2 4.02Å; W60-L185 HydrophobicContact CZ3-CG 4.04Å; Q126-L185 CarbonylContact C-O 3.41Å; Q126-L185 VanDerWaalsContact CA-O 3.28Å; Q126-L185 WeakPolarHBondContact CA-O 3.46Å; R127-L185 PolarHBondContact N-O 3.35Å; R127-L185 WeakPolarHBondContact O-CB 3.31Å; R127-L185 PolarHBondContact O-N 3.08Å; F129-L185 HydrophobicContact CD1-CB 3.94Å; F129-L185 HydrophobicContact CE1-CB 3.81Å; I142-L185 HydrophobicContact CD1-CD1 3.74Å; I142-L185 HydrophobicContact CD1-CD2 3.52Å; I142-L185 HydrophobicContact CD1-CG 4.32Å; V153-L185 HydrophobicContact CG1-CD1 3.8Å; V155-L185 HydrophobicContact CG2-CD1 3.94Å; L185-V187 HydrophobicContact CD1-CG2 4.16Å; L185-V187 HydrophobicContact CG-CG2 4.18Å
186	C	98.8	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.8	173	-54.1	0	0	0	0	109.6	F75 Y125 Q126 Y154 L184	F75-C186 HydrophobicContact CD1-CB 4.45Å; F75-C186 HydrophobicContact CE1-CB 3.84Å; F75-C186 HydrophobicContact CE2-CB 4Å; F75-C186 HydrophobicContact CZ-CB 3.61Å; F75-C186 PolarHBondContact O-SG 3.01Å; Y125-C186 CarbonylContact O-C 3.5Å; Y125-C186 WeakPolarHBondContact O-CA 3.39Å; Q126-C186 HydrophobicContact CG-CB 4.49Å; Y154-C186 PolarHBondContact N-O 3.24Å; Y154-C186 PolarHBondContact O-N 2.85Å; L184-C186 VanDerWaalsContact CG-SG 3.59Å
187	V	98.8	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.1	178.4	-172.3	0	0	0	0	108.5	W60 Y125 F144 F151 E152 L185 V189 I209	W60-V187 HydrophobicContact CH2-CG2 4.04Å; W60-V187 HydrophobicContact CZ3-CG2 3.93Å; Y125-V187 WeakPolarHBondContact CB-O 3.26Å; Y125-V187 WeakPolarHBondContact CD2-O 3.35Å; Y125-V187 PolarHBondContact N-O 3.38Å; Y125-V187 PolarHBondContact O-N 2.56Å; F144-V187 HydrophobicContact CE1-CG1 4.25Å; F144-V187 HydrophobicContact CE1-CG2 3.83Å; F144-V187 HydrophobicContact CZ-CG2 3.77Å; F151-V187 HydrophobicContact CB-CG1 4.21Å; F151-V187 HydrophobicContact CD2-CG1 3.96Å; E152-V187 WeakPolarHBondContact O-CA 3.25Å; L185-V187 HydrophobicContact CD1-CG2 4.16Å; L185-V187 HydrophobicContact CG-CG2 4.18Å; V187-V189 HydrophobicContact CG1-CG2 3.79Å; V187-I209 HydrophobicContact CB-CD1 4.38Å; V187-I209 HydrophobicContact CG1-CD1 4.21Å
188	R	98.7	Very high	97.9	Very high	40 Å²	40	20.6 Å²	20.6	15%	0.151	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.2	172.6	-177.4	-177.3	-63.8	157.9	-10.3	107.6	F75 T122 F151 E152	F75-R188 HydrophobicContact CE1-CB 4.16Å; T122-R188 HydrophobicContact CG2-CG 3.59Å; F151-R188 CarbonylContact C-O 3.59Å; F151-R188 WeakPolarHBondContact CA-O 3.43Å; F151-R188 WeakPolarHBondContact CB-O 3.31Å; E152-R188 HydrophobicContact CB-CB 4.37Å; E152-R188 PolarHBondContact N-O 3.24Å; E152-R188 PolarHBondContact O-N 2.7Å; E152-R188 IonicContact OE2-CZ 2.69Å; E152-R188 IonicContact OE2-NE 2.72Å; E152-R188 IonicContact OE2-NH1 3.69Å; E152-R188 PolarHBondContact OE2-NH1 3.38Å
189	V	98.7	Very high	97.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.6	-178.3	-179.8	0	0	0	0	108.3	W92 T122 G123 Y125 V147 E148 Y150 F151 V187 I209	W92-V189 HydrophobicContact CH2-CB 4.37Å; W92-V189 HydrophobicContact CH2-CG1 4.07Å; W92-V189 WeakPolarHBondContact CH2-O 3.34Å; W92-V189 HydrophobicContact CZ2-CB 3.69Å; W92-V189 HydrophobicContact CZ2-CG1 3.52Å; T122-V189 CarbonylContact C-O 3.57Å; T122-V189 VanDerWaalsContact CA-O 3.27Å; T122-V189 WeakPolarHBondContact CA-O 3.47Å; T122-V189 WeakPolarHBondContact CG2-O 3.15Å; G123-V189 PolarHBondContact N-O 3.34Å; G123-V189 PolarHBondContact O-N 3.36Å; Y125-V189 HydrophobicContact CD2-CG2 3.93Å; Y125-V189 HydrophobicContact CE2-CB 4.01Å; Y125-V189 HydrophobicContact CE2-CG2 3.65Å; V147-V189 HydrophobicContact CG1-CB 4.37Å; V147-V189 HydrophobicContact CG1-CG1 3.74Å; V147-V189 HydrophobicContact CG1-CG2 3.69Å; E148-V189 WeakPolarHBondContact O-CG1 3.39Å; Y150-V189 CarbonylContact O-C 3.5Å; Y150-V189 VanDerWaalsContact O-CA 3.32Å; Y150-V189 WeakPolarHBondContact O-CA 3.35Å; F151-V189 HydrophobicContact CB-CB 4.4Å; F151-V189 HydrophobicContact CB-CG2 3.83Å; V187-V189 HydrophobicContact CG1-CG2 3.79Å; V189-I209 HydrophobicContact CG2-CD1 4.43Å; V189-I209 HydrophobicContact CG2-CG1 4.07Å
190	M	98.3	Very high	97.8	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	138	-179	-61.7	175.7	63.2	0	0	109.5	W16 P68 N120 T122 T149 Y150	W16-M190 HydrophobicContact CD2-CE 3.43Å; W16-M190 VanDerWaalsContact CD2-CE 3.43Å; W16-M190 HydrophobicContact CD2-SD 3.94Å; W16-M190 HydrophobicContact CE3-CE 3.76Å; W16-M190 HydrophobicContact CE3-SD 3.74Å; W16-M190 HydrophobicContact CG-CE 3.78Å; W16-M190 HydrophobicContact CG-SD 4.31Å; W16-M190 HydrophobicContact CH2-CE 4.33Å; W16-M190 HydrophobicContact CZ2-CE 4.03Å; W16-M190 HydrophobicContact CZ3-CE 4.2Å; W16-M190 HydrophobicContact CZ3-SD 4.28Å; P68-M190 HydrophobicContact CB-CE 3.83Å; P68-M190 HydrophobicContact CB-SD 4.09Å; P68-M190 HydrophobicContact CG-CE 3.58Å; P68-M190 HydrophobicContact CG-SD 4.48Å; N120-M190 HydrophobicContact CB-CE 4.26Å; N120-M190 VanDerWaalsContact ND2-CE 3.33Å; N120-M190 WeakPolarHBondContact ND2-CE 3.42Å; T122-M190 HydrophobicContact CG2-CG 4.18Å; T149-M190 PolarHBondContact N-O 3.47Å; Y150-M190 HydrophobicContact CD1-CB 4.18Å; Y150-M190 HydrophobicContact CD1-CG 4.11Å; Y150-M190 HydrophobicContact CD1-SD 3.8Å; Y150-M190 HydrophobicContact CE1-SD 3.97Å; Y150-M190 PolarHBondContact N-O 3.08Å; Y150-M190 PolarHBondContact O-N 3.25Å
191	Q	97.7	Very high	97.7	Very high	14 Å²	14	10.4 Å²	10.4	7%	0.065	6%	0.056	C	C	.	.	S	Bend	trans	-69.2	-36	-176.5	-178.5	166.2	-17.7	0	0	112.4	W92 N120 P121 T149 A207	W92-Q191 HydrophobicContact CH2-CB 4.41Å; W92-Q191 HydrophobicContact CZ3-CB 3.93Å; N120-Q191 PolarHBondContact OD1-N 2.91Å; P121-Q191 HydrophobicContact CB-CB 3.92Å; P121-Q191 VanDerWaalsContact CB-OE1 3.24Å; P121-Q191 HydrophobicContact CG-CB 4.39Å; P121-Q191 PolarHBondContact O-N 3.31Å; T149-Q191 PolarHBondContact OG1-O 3.22Å; T149-Q191 VanDerWaalsContact OG1-O 3.06Å; Q191-A207 HydrophobicContact CB-CB 3.95Å; Q191-A207 HydrophobicContact CG-CB 3.88Å
192	W	97.4	Very high	97.4	Very high	20 Å²	20	9.6 Å²	9.6	8%	0.076	5%	0.046	C	C	.	.			trans	-118.3	139.7	-176.7	-49.4	121.7	0	0	0	112.1	P108 F109 V116 P117 N120 T196 W205	P108-W192 HydrophobicContact CG-CH2 3.6Å; P108-W192 HydrophobicContact CG-CZ2 4.12Å; P108-W192 HydrophobicContact CG-CZ3 4.37Å; F109-W192 HydrophobicContact CD1-CD2 4.35Å; F109-W192 HydrophobicContact CD1-CE3 4.34Å; F109-W192 HydrophobicContact CD1-CH2 4.42Å; F109-W192 HydrophobicContact CD1-CZ2 4.45Å; F109-W192 HydrophobicContact CD1-CZ3 4.36Å; F109-W192 HydrophobicContact CE1-CD2 4.13Å; F109-W192 AromaticContact CE1-CE3 3.74Å; F109-W192 HydrophobicContact CE1-CE3 3.74Å; F109-W192 HydrophobicContact CE1-CH2 4.29Å; F109-W192 AromaticContact CE1-CZ3 3.82Å; F109-W192 HydrophobicContact CE1-CZ3 3.82Å; V116-W192 HydrophobicContact CB-CB 3.79Å; V116-W192 HydrophobicContact CG1-CB 4.22Å; V116-W192 HydrophobicContact CG2-CB 3.94Å; P117-W192 HydrophobicContact CG-CG 4.46Å; N120-W192 PolarHBondContact ND2-O 2.6Å; N120-W192 PolarHBondContact OD1-N 3.14Å; W192-T196 HydrophobicContact CE3-CG2 3.6Å; W192-T196 HydrophobicContact CZ3-CG2 3.76Å; W192-W205 HydrophobicContact CH2-CB 4.11Å; W192-W205 AromaticContact CH2-CD2 3.94Å; W192-W205 HydrophobicContact CH2-CD2 3.94Å; W192-W205 AromaticContact CH2-CE3 3.82Å; W192-W205 HydrophobicContact CH2-CE3 3.82Å; W192-W205 HydrophobicContact CH2-CG 4.11Å; W192-W205 HydrophobicContact CZ3-CD2 4.04Å; W192-W205 AromaticContact CZ3-CE3 3.46Å; W192-W205 HydrophobicContact CZ3-CE3 3.46Å; W192-W205 VanDerWaalsContact CZ3-CE3 3.46Å; W192-W205 AromaticContact CZ3-CZ3 3.84Å; W192-W205 HydrophobicContact CZ3-CZ3 3.84Å
193	A	97.5	Very high	97.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	2%	0.023	C	C	.	.			trans	-153.3	171.3	171.3	0	0	0	0	0	110.1	W16 V116 T149 S195 T196	W16-A193 HydrophobicContact CB-CB 3.99Å; W16-A193 CarbonylContact O-C 3.59Å; W16-A193 WeakPolarHBondContact O-CA 3.36Å; W16-A193 WeakPolarHBondContact O-CB 3.46Å; V116-A193 VanDerWaalsContact CG1-C 3.44Å; V116-A193 WeakPolarHBondContact CG1-O 3.31Å; T149-A193 HydrophobicContact CG2-CB 4.28Å; A193-S195 PolarHBondContact O-N 3.16Å; A193-T196 PolarHBondContact N-OG1 3.46Å; A193-T196 VanDerWaalsContact N-OG1 3.11Å; A193-T196 WeakPolarHBondContact O-CB 3.39Å; A193-T196 PolarHBondContact O-N 2.79Å; A193-T196 PolarHBondContact O-OG1 3.46Å
194	D	97.5	Very high	97.1	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-53.9	-29.6	173.6	53.7	73.3	0	0	0	112.8	W16 E17 N18 I19 P114 K164 T196 Y197 W432	W16-D194 PolarHBondContact O-N 3.34Å; E17-D194 VanDerWaalsContact CA-OD2 3.31Å; E17-D194 WeakPolarHBondContact CA-OD2 3.39Å; E17-D194 PolarHBondContact N-OD2 3.27Å; N18-D194 PolarHBondContact N-OD2 2.82Å; I19-D194 HydrophobicContact CG2-CB 3.67Å; P114-D194 HydrophobicContact CB-CB 4.15Å; K164-D194 WeakPolarHBondContact CD-OD1 3.34Å; K164-D194 VanDerWaalsContact NZ-CG 3.26Å; K164-D194 IonicContact NZ-OD1 3.13Å; K164-D194 PolarHBondContact NZ-OD1 2.9Å; K164-D194 VanDerWaalsContact NZ-OD1 3.09Å; K164-D194 IonicContact NZ-OD2 3.53Å; K164-D194 PolarHBondContact NZ-OD2 2.82Å; D194-T196 PolarHBondContact O-N 2.87Å; D194-Y197 PolarHBondContact O-N 3.15Å; D194-W432 HydrophobicContact CB-CH2 4.31Å; D194-W432 WeakPolarHBondContact O-CH2 3.45Å
195	S	97	Very high	97	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.007	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-66.4	-18.3	174.6	51.6	0	0	0	0	114.3	T149 A193 Y197 V198 E199	T149-S195 VanDerWaalsContact CG2-OG 3.22Å; T149-S195 WeakPolarHBondContact CG2-OG 3.38Å; A193-S195 PolarHBondContact O-N 3.16Å; S195-Y197 PolarHBondContact O-N 2.79Å; S195-V198 WeakPolarHBondContact O-CG2 3.38Å; S195-V198 PolarHBondContact O-N 3.44Å; S195-E199 WeakPolarHBondContact O-CG 3.32Å; S195-E199 PolarHBondContact O-N 2.86Å
196	T	97.2	Very high	96.8	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.006	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-59.8	-33.3	173.2	-57.2	0	0	0	0	111.3	F109 W192 A193 D194 V198 E199 W205	F109-T196 HydrophobicContact CE1-CG2 3.82Å; F109-T196 HydrophobicContact CZ-CG2 3.75Å; W192-T196 HydrophobicContact CE3-CG2 3.6Å; W192-T196 HydrophobicContact CZ3-CG2 3.76Å; A193-T196 PolarHBondContact N-OG1 3.46Å; A193-T196 VanDerWaalsContact N-OG1 3.11Å; A193-T196 WeakPolarHBondContact O-CB 3.39Å; A193-T196 PolarHBondContact O-N 2.79Å; A193-T196 PolarHBondContact O-OG1 3.46Å; D194-T196 PolarHBondContact O-N 2.87Å; T196-V198 PolarHBondContact O-N 2.74Å; T196-V198 VanDerWaalsContact O-N 3.16Å; T196-E199 CarbonylContact O-C 3.51Å; T196-E199 PolarHBondContact O-N 3.15Å; T196-W205 HydrophobicContact CG2-CH2 3.92Å; T196-W205 HydrophobicContact CG2-CZ3 3.61Å
197	Y	97.6	Very high	96.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-66.2	-15	179.2	-71.9	-72	0	0	0	114.8	F107 F109 I111 D112 V113 F115 V116 D194 S195 S414 F417 W432	F107-Y197 HydrophobicContact CD1-CD1 4.45Å; F107-Y197 AromaticContact CE1-CD1 3.96Å; F107-Y197 HydrophobicContact CE1-CD1 3.96Å; F107-Y197 HydrophobicContact CE2-CD1 4.03Å; F107-Y197 AromaticContact CZ-CD1 3.73Å; F107-Y197 HydrophobicContact CZ-CD1 3.73Å; F109-Y197 AromaticContact CE2-CE1 3.83Å; F109-Y197 HydrophobicContact CE2-CE1 3.83Å; F109-Y197 HydrophobicContact CE2-CE2 4.48Å; F109-Y197 AromaticContact CE2-CZ 3.77Å; F109-Y197 HydrophobicContact CZ-CE1 4.49Å; I111-Y197 HydrophobicContact CG2-CE1 4.27Å; D112-Y197 PolarHBondContact N-OH 2.8Å; D112-Y197 VanDerWaalsContact N-OH 3.14Å; V113-Y197 HydrophobicContact CG2-CD1 4.16Å; V113-Y197 HydrophobicContact CG2-CE1 3.99Å; V113-Y197 HydrophobicContact CG2-CE2 4.37Å; V113-Y197 HydrophobicContact CG2-CG 4.41Å; F115-Y197 WeakPolarHBondContact O-CE2 3.43Å; F115-Y197 PolarHBondContact O-OH 2.8Å; V116-Y197 HydrophobicContact CG1-CE2 4.21Å; D194-Y197 PolarHBondContact O-N 3.15Å; S195-Y197 PolarHBondContact O-N 2.79Å; Y197-S414 WeakPolarHBondContact O-CB 3.42Å; Y197-F417 HydrophobicContact CD1-CE2 4.2Å; Y197-F417 AromaticContact CD1-CZ 3.73Å; Y197-F417 HydrophobicContact CD1-CZ 3.73Å; Y197-F417 HydrophobicContact CE1-CZ 4.43Å; Y197-F417 HydrophobicContact CG-CZ 4.28Å; Y197-W432 HydrophobicContact CD2-CH2 4.37Å
198	V	97.2	Very high	96.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-116.4	12.6	175.5	-61.8	0	0	0	0	111.8	S195 T196 V412 E413 I426 W432 V435 Y436 R439	S195-V198 WeakPolarHBondContact O-CG2 3.38Å; S195-V198 PolarHBondContact O-N 3.44Å; T196-V198 PolarHBondContact O-N 2.74Å; T196-V198 VanDerWaalsContact O-N 3.16Å; V198-V412 WeakPolarHBondContact O-CA 3.38Å; V198-E413 CarbonylContact C-O 3.58Å; V198-E413 WeakPolarHBondContact CA-O 3.18Å; V198-E413 PolarHBondContact O-N 3.17Å; V198-I426 HydrophobicContact CG1-CD1 3.45Å; V198-I426 VanDerWaalsContact CG1-CD1 3.45Å; V198-W432 HydrophobicContact CG1-CE3 3.99Å; V198-W432 HydrophobicContact CG1-CZ3 3.87Å; V198-V435 HydrophobicContact CG2-CG1 3.95Å; V198-Y436 HydrophobicContact CG1-CE2 3.68Å; V198-R439 VanDerWaalsContact CG2-NH2 3.29Å
199	E	96.9	Very high	96.7	Very high	1 Å²	1	3.6 Å²	3.6	1%	0.005	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	39.6	175.8	-65.1	179.8	-165.7	0	0	109.5	G165 S166 R167 S195 T196 Q201 E413 R439	G165-E199 WeakPolarHBondContact CA-OE1 3.33Å; S166-E199 VanDerWaalsContact CB-OE2 3.24Å; S166-E199 WeakPolarHBondContact CB-OE2 3.42Å; S166-E199 PolarHBondContact N-OE1 2.86Å; S166-E199 PolarHBondContact OG-OE1 2.85Å; S166-E199 PolarHBondContact OG-OE2 3.32Å; R167-E199 IonicContact NH1-OE2 3.22Å; R167-E199 PolarHBondContact NH1-OE2 2.83Å; S195-E199 WeakPolarHBondContact O-CG 3.32Å; S195-E199 PolarHBondContact O-N 2.86Å; T196-E199 CarbonylContact O-C 3.51Å; T196-E199 PolarHBondContact O-N 3.15Å; E199-Q201 VanDerWaalsContact C-N 3.28Å; E199-Q201 PolarHBondContact O-N 2.87Å; E199-Q201 PolarHBondContact O-OE1 2.8Å; E199-E413 PolarHBondContact N-O 3.28Å; E199-R439 IonicContact OE1-CZ 2.87Å; E199-R439 IonicContact OE1-NH1 2.86Å; E199-R439 PolarHBondContact OE1-NH1 2.93Å; E199-R439 VanDerWaalsContact OE1-NH1 3.12Å; E199-R439 IonicContact OE1-NH2 3.07Å; E199-R439 PolarHBondContact OE1-NH2 3.02Å
200	D	96	Very high	96.7	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	64.9	178.4	-166.6	26.7	0	0	0	110.1	F107 W205 E413 G416	F107-D200 HydrophobicContact CD1-CB 4.36Å; F107-D200 HydrophobicContact CE1-CB 3.57Å; F107-D200 HydrophobicContact CZ-CB 3.85Å; F107-D200 WeakPolarHBondContact CZ-OD2 3.38Å; D200-W205 HydrophobicContact CB-CH2 4.45Å; D200-W205 WeakPolarHBondContact OD1-CZ2 3.25Å; D200-E413 PolarHBondContact N-O 3.21Å; D200-E413 VanDerWaalsContact O-CD 3.32Å; D200-E413 WeakPolarHBondContact O-CG 3.03Å; D200-G416 WeakPolarHBondContact OD2-CA 3.41Å; D200-G416 PolarHBondContact OD2-N 3.12Å
201	Q	94.1	Very high	96.7	Very high	1 Å²	1	4 Å²	4	1%	0.005	2%	0.018	C	C	.	.			trans	-91.4	147.1	-177.1	-62.6	101.2	7.3	0	0	112	E199 M203 H388 Y389 D411 E413	E199-Q201 VanDerWaalsContact C-N 3.28Å; E199-Q201 PolarHBondContact O-N 2.87Å; E199-Q201 PolarHBondContact O-OE1 2.8Å; Q201-M203 HydrophobicContact CB-CE 3.73Å; Q201-M203 HydrophobicContact CB-CG 3.99Å; Q201-M203 HydrophobicContact CB-SD 4.11Å; Q201-M203 HydrophobicContact CG-CE 4.41Å; Q201-M203 VanDerWaalsContact O-CG 3.31Å; Q201-M203 WeakPolarHBondContact O-CG 3.36Å; Q201-M203 PolarHBondContact O-N 3.23Å; Q201-H388 HydrophobicContact CG-CB 3.97Å; Q201-Y389 HydrophobicContact CG-CD1 4.19Å; Q201-D411 PolarHBondContact NE2-OD1 2.81Å; Q201-E413 WeakPolarHBondContact CA-OE2 3.41Å; Q201-E413 WeakPolarHBondContact CB-OE2 3.29Å; Q201-E413 HydrophobicContact CG-CB 3.86Å; Q201-E413 WeakPolarHBondContact CG-OE2 3.5Å
202	D	92.5	Very high	96.7	Very high	7 Å²	7	4.1 Å²	4.1	4%	0.037	2%	0.019	C	C	.	.	S	Bend	trans	-64	79.1	175.1	-177.7	8.5	0	0	0	112.1	Y102 D104 W555 F588	Y102-D202 WeakPolarHBondContact CE2-OD1 3.38Å; Y102-D202 PolarHBondContact OH-OD1 2.97Å; D104-D202 WeakPolarHBondContact CA-OD1 3.32Å; D104-D202 HydrophobicContact CB-CB 4.49Å; D104-D202 WeakPolarHBondContact CB-OD1 3.31Å; D202-W555 HydrophobicContact CB-CZ2 4.29Å; D202-F588 WeakPolarHBondContact OD2-CE1 3.33Å
203	M	94.3	Very high	96.7	Very high	4 Å²	4	3.2 Å²	3.2	2%	0.02	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	178.3	-177	59.6	169.2	-171.8	0	0	111	R167 Q201 W205 R362 Y389	R167-M203 PolarHBondContact NH2-SD 3.35Å; Q201-M203 HydrophobicContact CB-CE 3.73Å; Q201-M203 HydrophobicContact CB-CG 3.99Å; Q201-M203 HydrophobicContact CB-SD 4.11Å; Q201-M203 HydrophobicContact CG-CE 4.41Å; Q201-M203 VanDerWaalsContact O-CG 3.31Å; Q201-M203 WeakPolarHBondContact O-CG 3.36Å; Q201-M203 PolarHBondContact O-N 3.23Å; M203-W205 PolarHBondContact O-N 2.82Å; M203-R362 VanDerWaalsContact SD-CD 3.57Å; M203-Y389 HydrophobicContact SD-CE1 3.91Å
204	W	96.2	Very high	96.8	Very high	12 Å²	12	3.2 Å²	3.2	5%	0.045	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126	176	-66.5	94.1	0	0	0	113.7	L100 Y102 S206 H560 I562 F575 Y579	L100-W204 HydrophobicContact CD1-CB 4.17Å; L100-W204 HydrophobicContact CD1-CE3 4.15Å; L100-W204 HydrophobicContact CD2-CD2 3.87Å; L100-W204 HydrophobicContact CD2-CE3 3.45Å; L100-W204 VanDerWaalsContact CD2-CE3 3.45Å; L100-W204 HydrophobicContact CD2-CH2 4.09Å; L100-W204 HydrophobicContact CD2-CZ2 4.48Å; L100-W204 HydrophobicContact CD2-CZ3 3.57Å; L100-W204 HydrophobicContact CG-CD2 4.1Å; L100-W204 HydrophobicContact CG-CE3 3.38Å; L100-W204 HydrophobicContact CG-CZ3 3.75Å; Y102-W204 VanDerWaalsContact CB-CE3 3.47Å; W204-S206 PolarHBondContact O-N 2.85Å; W204-S206 PolarHBondContact O-OG 2.78Å; W204-H560 PolarHBondContact NE1-O 3.12Å; W204-I562 HydrophobicContact CZ2-CG1 3.75Å; W204-F575 WeakPolarHBondContact CH2-O 3.38Å; W204-Y579 AromaticContact CH2-CD2 3.78Å; W204-Y579 HydrophobicContact CH2-CD2 3.78Å; W204-Y579 AromaticContact CH2-CE2 3.66Å; W204-Y579 HydrophobicContact CH2-CE2 3.66Å; W204-Y579 HydrophobicContact CZ2-CE2 4.49Å; W204-Y579 AromaticContact CZ3-CD2 3.83Å; W204-Y579 HydrophobicContact CZ3-CD2 3.83Å; W204-Y579 HydrophobicContact CZ3-CE2 4.04Å
205	W	95.7	Very high	96.8	Very high	7 Å²	7	3.2 Å²	3.2	3%	0.027	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	107.4	164.8	-66.4	105.3	0	0	0	110.6	Q101 T103 F107 P108 W192 T196 D200 M203	Q101-W205 HydrophobicContact CB-CB 4.39Å; Q101-W205 WeakPolarHBondContact O-CB 3.4Å; Q101-W205 PolarHBondContact O-N 3.33Å; T103-W205 PolarHBondContact OG1-NE1 2.8Å; F107-W205 HydrophobicContact CD1-CH2 4.28Å; F107-W205 HydrophobicContact CD1-CZ2 4.39Å; P108-W205 VanDerWaalsContact CD-CE2 3.41Å; P108-W205 HydrophobicContact CG-CD2 4.02Å; P108-W205 HydrophobicContact CG-CG 3.97Å; P108-W205 HydrophobicContact CG-CZ2 4.4Å; W192-W205 HydrophobicContact CH2-CB 4.11Å; W192-W205 AromaticContact CH2-CD2 3.94Å; W192-W205 HydrophobicContact CH2-CD2 3.94Å; W192-W205 AromaticContact CH2-CE3 3.82Å; W192-W205 HydrophobicContact CH2-CE3 3.82Å; W192-W205 HydrophobicContact CH2-CG 4.11Å; W192-W205 HydrophobicContact CZ3-CD2 4.04Å; W192-W205 AromaticContact CZ3-CE3 3.46Å; W192-W205 HydrophobicContact CZ3-CE3 3.46Å; W192-W205 VanDerWaalsContact CZ3-CE3 3.46Å; W192-W205 AromaticContact CZ3-CZ3 3.84Å; W192-W205 HydrophobicContact CZ3-CZ3 3.84Å; T196-W205 HydrophobicContact CG2-CH2 3.92Å; T196-W205 HydrophobicContact CG2-CZ3 3.61Å; D200-W205 HydrophobicContact CB-CH2 4.45Å; D200-W205 WeakPolarHBondContact OD1-CZ2 3.25Å; M203-W205 PolarHBondContact O-N 2.82Å
206	S	95.6	Very high	96.8	Very high	6 Å²	6	3.2 Å²	3.2	4%	0.042	2%	0.015	C	C	.	.			trans	-151.9	149.2	-172	50	0	0	0	0	109.4	M91 E148 W204 R362	M91-S206 WeakPolarHBondContact CE-O 3.47Å; M91-S206 WeakPolarHBondContact CE-OG 3.36Å; E148-S206 WeakPolarHBondContact CG-O 3.28Å; W204-S206 PolarHBondContact O-N 2.85Å; W204-S206 PolarHBondContact O-OG 2.78Å; S206-R362 PolarHBondContact O-NH2 3.27Å; S206-R362 PolarHBondContact OG-NE 3.21Å; S206-R362 PolarHBondContact OG-NH2 2.92Å; S206-R362 VanDerWaalsContact OG-NH2 3.17Å
207	A	97.4	Very high	96.8	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.			trans	-133.2	157.1	-174.4	0	0	0	0	0	112.6	M91 W92 Q93 Q191	M91-A207 VanDerWaalsContact CE-C 3.49Å; M91-A207 VanDerWaalsContact CE-N 3.34Å; W92-A207 HydrophobicContact CD2-CB 4.01Å; W92-A207 HydrophobicContact CE3-CB 3.57Å; W92-A207 HydrophobicContact CH2-CB 3.68Å; W92-A207 HydrophobicContact CZ2-CB 4.07Å; W92-A207 HydrophobicContact CZ3-CB 3.45Å; W92-A207 VanDerWaalsContact CZ3-CB 3.45Å; W92-A207 PolarHBondContact N-O 2.79Å; Q93-A207 PolarHBondContact OE1-O 3Å; Q191-A207 HydrophobicContact CB-CB 3.95Å; Q191-A207 HydrophobicContact CG-CB 3.88Å
208	G	98.1	Very high	96.7	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.8	-179	178.1	0	0	0	0	0	114.5	W92 Y125 V147 E148 F210	W92-G208 VanDerWaalsContact NE1-CA 3.3Å; Y125-G208 WeakPolarHBondContact OH-CA 3.33Å; V147-G208 WeakPolarHBondContact CA-O 3.41Å; E148-G208 PolarHBondContact N-O 2.98Å; E148-G208 PolarHBondContact O-N 3.11Å; E148-G208 VanDerWaalsContact O-N 3.11Å; G208-F210 PolarHBondContact O-N 3.03Å
209	I	98.7	Very high	96.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	97.7	174.4	-55	176.2	0	0	0	107.2	V88 P89 A90 Y125 V147 V187 V189 V213	V88-I209 HydrophobicContact CG1-CB 4Å; V88-I209 HydrophobicContact CG1-CG2 3.47Å; V88-I209 VanDerWaalsContact CG1-CG2 3.47Å; V88-I209 HydrophobicContact CG2-CB 4.31Å; V88-I209 HydrophobicContact CG2-CD1 4.43Å; P89-I209 CarbonylContact C-O 3.49Å; P89-I209 WeakPolarHBondContact CA-O 3.28Å; A90-I209 PolarHBondContact N-O 3.13Å; A90-I209 CarbonylContact O-C 3.55Å; Y125-I209 HydrophobicContact CD1-CD1 4.03Å; Y125-I209 HydrophobicContact CD2-CD1 4.13Å; Y125-I209 HydrophobicContact CE1-CD1 4.02Å; Y125-I209 HydrophobicContact CE1-CG1 4.27Å; Y125-I209 HydrophobicContact CE2-CD1 4.14Å; Y125-I209 HydrophobicContact CE2-CG1 4.13Å; Y125-I209 HydrophobicContact CG-CD1 4.04Å; Y125-I209 PolarHBondContact OH-N 2.75Å; V147-I209 HydrophobicContact CG1-CG1 4.06Å; V147-I209 HydrophobicContact CG2-CB 4.47Å; V147-I209 HydrophobicContact CG2-CG1 4.16Å; V147-I209 HydrophobicContact CG2-CG2 4.15Å; V187-I209 HydrophobicContact CB-CD1 4.38Å; V187-I209 HydrophobicContact CG1-CD1 4.21Å; V189-I209 HydrophobicContact CG2-CD1 4.43Å; V189-I209 HydrophobicContact CG2-CG1 4.07Å; I209-V213 HydrophobicContact CG2-CG2 3.42Å; I209-V213 VanDerWaalsContact CG2-CG2 3.42Å
210	F	97.9	Very high	96.5	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.009	5%	0.046	C	C	.	.			trans	-103.7	-3.7	-167.7	70.8	-87	0	0	0	114.2	P89 M91 G146 E148 S166 R167 G208 R362 A363	P89-F210 VanDerWaalsContact CB-O 3.24Å; P89-F210 WeakPolarHBondContact CB-O 3.33Å; M91-F210 HydrophobicContact CE-CB 4.45Å; M91-F210 HydrophobicContact SD-CB 3.3Å; M91-F210 WeakPolarHBondContact SD-CB 3.17Å; M91-F210 HydrophobicContact SD-CG 4.14Å; G146-F210 PolarHBondContact O-N 3.31Å; G146-F210 VanDerWaalsContact O-N 3.11Å; E148-F210 HydrophobicContact CB-CD1 4.13Å; E148-F210 HydrophobicContact CB-CE1 4.13Å; S166-F210 VanDerWaalsContact O-CE1 3.26Å; S166-F210 WeakPolarHBondContact O-CE1 3.32Å; S166-F210 WeakPolarHBondContact O-CZ 3.47Å; R167-F210 HydrophobicContact CG-CE2 4.46Å; R167-F210 HydrophobicContact CG-CZ 3.95Å; G208-F210 PolarHBondContact O-N 3.03Å; F210-R362 HydrophobicContact CD2-CB 4.3Å; F210-A363 HydrophobicContact CB-CB 4.4Å; F210-A363 WeakPolarHBondContact O-CA 3.46Å
211	R	98.1	Very high	96.6	Very high	9 Å²	9	9.8 Å²	9.8	3%	0.034	5%	0.05	C	C	.	.	S	Bend	trans	-127.2	178.1	167.2	-64	176.7	-177.1	156.1	1.4	110.7	D145 G146 R167 D355 P390	D145-R211 HydrophobicContact CB-CB 3.75Å; D145-R211 WeakPolarHBondContact O-CD 3.15Å; G146-R211 PolarHBondContact O-N 2.99Å; R167-R211 PolarHBondContact O-NH1 2.76Å; R211-D355 IonicContact CZ-OD2 3.37Å; R211-D355 IonicContact NE-OD2 2.92Å; R211-D355 IonicContact NH2-OD2 2.71Å; R211-D355 PolarHBondContact NH2-OD2 2.78Å; R211-P390 PolarHBondContact NH1-O 2.93Å; R211-P390 PolarHBondContact NH2-O 3.32Å
212	D	97.6	Very high	96.8	Very high	16 Å²	16	9.8 Å²	9.8	9%	0.086	5%	0.05	C	C	.	.			trans	-62.3	146.6	-172	-76.2	-39.1	0	0	0	113	R47 S57 D145 Y214 R394	R47-D212 IonicContact CZ-OD2 3.71Å; R47-D212 IonicContact NH1-OD2 2.85Å; R47-D212 PolarHBondContact NH1-OD2 3.46Å; R47-D212 VanDerWaalsContact NH1-OD2 3.14Å; R47-D212 IonicContact NH2-OD2 3.45Å; R47-D212 PolarHBondContact NH2-OD2 2.97Å; S57-D212 WeakPolarHBondContact OG-CA 3.23Å; S57-D212 PolarHBondContact OG-OD1 3.03Å; D145-D212 PolarHBondContact N-O 3.43Å; D145-D212 VanDerWaalsContact N-O 3.09Å; D212-Y214 HydrophobicContact CB-CD1 4.01Å; D212-Y214 HydrophobicContact CB-CE1 4.21Å; D212-R394 IonicContact OD2-CZ 3.55Å; D212-R394 VanDerWaalsContact OD2-CZ 3.29Å; D212-R394 IonicContact OD2-NH1 2.66Å; D212-R394 PolarHBondContact OD2-NH1 2.83Å; D212-R394 IonicContact OD2-NH2 2.67Å; D212-R394 PolarHBondContact OD2-NH2 3.08Å
213	V	98.6	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.6	166.9	-173.3	0	0	0	0	107.7	L56 S57 W60 V88 I142 K143 F144 I209	L56-V213 CarbonylContact C-O 3.44Å; L56-V213 VanDerWaalsContact CA-O 3.23Å; L56-V213 WeakPolarHBondContact CA-O 3.26Å; L56-V213 HydrophobicContact CB-CB 4.17Å; L56-V213 HydrophobicContact CB-CG1 4.06Å; L56-V213 VanDerWaalsContact CB-O 3.3Å; L56-V213 WeakPolarHBondContact CB-O 3.26Å; L56-V213 HydrophobicContact CD1-CG1 4.17Å; L56-V213 PolarHBondContact N-O 2.77Å; S57-V213 PolarHBondContact N-O 3.15Å; S57-V213 VanDerWaalsContact N-O 3.14Å; S57-V213 PolarHBondContact OG-N 3.31Å; W60-V213 HydrophobicContact CZ2-CB 4.42Å; W60-V213 HydrophobicContact CZ2-CG1 4.34Å; V88-V213 HydrophobicContact CG1-CG2 4.03Å; I142-V213 HydrophobicContact CD1-CG1 4.19Å; I142-V213 HydrophobicContact CG1-CG1 4.25Å; K143-V213 WeakPolarHBondContact O-CA 3.18Å; F144-V213 HydrophobicContact CD1-CB 4.34Å; F144-V213 HydrophobicContact CD1-CG1 3.87Å; F144-V213 HydrophobicContact CD1-CG2 3.54Å; F144-V213 HydrophobicContact CE1-CB 4.42Å; F144-V213 HydrophobicContact CE1-CG1 3.63Å; F144-V213 HydrophobicContact CE1-CG2 3.83Å; F144-V213 HydrophobicContact CG-CG1 4.43Å; F144-V213 HydrophobicContact CG-CG2 4.44Å; F144-V213 HydrophobicContact CZ-CG1 4.01Å; I209-V213 HydrophobicContact CG2-CG2 3.42Å; I209-V213 VanDerWaalsContact CG2-CG2 3.42Å
214	Y	98.3	Very high	97.2	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	162.5	-179.4	53	-88.1	0	0	0	111.9	Y32 F34 F53 L54 K143 D145 D212 V216	Y32-Y214 VanDerWaalsContact CE2-OH 3.25Å; Y32-Y214 WeakPolarHBondContact CE2-OH 3.48Å; F34-Y214 HydrophobicContact CE1-CD2 4.36Å; F34-Y214 AromaticContact CE1-CE2 3.66Å; F34-Y214 HydrophobicContact CE1-CE2 3.66Å; F34-Y214 AromaticContact CZ-CE2 3.95Å; F34-Y214 HydrophobicContact CZ-CE2 3.95Å; F53-Y214 AromaticContact CD2-CD2 3.96Å; F53-Y214 HydrophobicContact CD2-CD2 3.96Å; F53-Y214 HydrophobicContact CD2-CG 4.49Å; F53-Y214 HydrophobicContact CE2-CD1 4.3Å; F53-Y214 AromaticContact CE2-CD2 3.35Å; F53-Y214 HydrophobicContact CE2-CD2 3.35Å; F53-Y214 AromaticContact CE2-CE2 3.89Å; F53-Y214 HydrophobicContact CE2-CE2 3.89Å; F53-Y214 AromaticContact CE2-CG 3.57Å; F53-Y214 HydrophobicContact CE2-CG 3.57Å; F53-Y214 HydrophobicContact CZ-CD1 4.49Å; F53-Y214 HydrophobicContact CZ-CD2 4.2Å; F53-Y214 AromaticContact CZ-CG 3.96Å; F53-Y214 HydrophobicContact CZ-CG 3.96Å; L54-Y214 CarbonylContact O-C 3.56Å; L54-Y214 VanDerWaalsContact O-CA 3.31Å; L54-Y214 WeakPolarHBondContact O-CA 3.26Å; L54-Y214 WeakPolarHBondContact O-CB 3.42Å; K143-Y214 HydrophobicContact CB-CD2 4.19Å; K143-Y214 HydrophobicContact CB-CE1 4.28Å; K143-Y214 HydrophobicContact CB-CE2 3.78Å; K143-Y214 HydrophobicContact CD-CE2 3.71Å; K143-Y214 HydrophobicContact CG-CD2 4.43Å; K143-Y214 HydrophobicContact CG-CE2 3.89Å; K143-Y214 PolarHBondContact N-O 3.04Å; K143-Y214 PolarHBondContact O-N 2.85Å; K143-Y214 VanDerWaalsContact O-N 3.15Å; D145-Y214 WeakPolarHBondContact OD2-CE1 3.28Å; D145-Y214 PolarHBondContact OD2-OH 2.82Å; D212-Y214 HydrophobicContact CB-CD1 4.01Å; D212-Y214 HydrophobicContact CB-CE1 4.21Å; Y214-V216 HydrophobicContact CD2-CG2 3.71Å; Y214-V216 HydrophobicContact CE2-CG2 3.64Å
215	L	98.3	Very high	97.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143.3	170.1	-50.8	-177.4	0	0	0	111.1	L54 L56 F129 L131 W135 T140 L141 I142 I174	L54-L215 HydrophobicContact CB-CB 4.17Å; L54-L215 HydrophobicContact CD2-CD1 4.01Å; L54-L215 PolarHBondContact N-O 3.03Å; L54-L215 PolarHBondContact O-N 3.45Å; L56-L215 HydrophobicContact CD1-CD2 3.72Å; L56-L215 HydrophobicContact CD1-CG 3.8Å; L56-L215 HydrophobicContact CG-CG 4.31Å; F129-L215 HydrophobicContact CD2-CD1 3.63Å; F129-L215 HydrophobicContact CE2-CD1 3.46Å; F129-L215 VanDerWaalsContact CE2-CD1 3.46Å; F129-L215 HydrophobicContact CG-CD1 4.42Å; F129-L215 HydrophobicContact CZ-CD1 4.13Å; L131-L215 HydrophobicContact CD2-CD1 3.82Å; W135-L215 HydrophobicContact CH2-CB 3.7Å; W135-L215 HydrophobicContact CZ3-CB 4.09Å; T140-L215 HydrophobicContact CG2-CD1 4.17Å; L141-L215 CarbonylContact O-C 3.22Å; L141-L215 WeakPolarHBondContact O-CA 3.38Å; I142-L215 HydrophobicContact CB-CD2 3.56Å; I142-L215 HydrophobicContact CD1-CD2 4.1Å; I142-L215 HydrophobicContact CG1-CD2 3.73Å; I174-L215 HydrophobicContact CD1-CD2 3.89Å
216	V	97.1	Very high	97.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.4	169.2	-178.1	0	0	0	0	108.6	F34 L52 L141 K143 Y214	F34-V216 HydrophobicContact CD1-CG2 4.41Å; F34-V216 HydrophobicContact CE1-CG2 4.18Å; L52-V216 WeakPolarHBondContact O-CA 3.39Å; L141-V216 PolarHBondContact N-O 2.92Å; L141-V216 PolarHBondContact O-N 2.84Å; K143-V216 HydrophobicContact CD-CG2 4.41Å; K143-V216 HydrophobicContact CG-CG2 4.4Å; Y214-V216 HydrophobicContact CD2-CG2 3.71Å; Y214-V216 HydrophobicContact CE2-CG2 3.64Å
217	G	96	Very high	97.6	Very high	5 Å²	5	12.7 Å²	12.7	5%	0.052	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.3	173.8	0	0	0	0	0	111.2	L52 W135 Q139	L52-G217 PolarHBondContact O-N 2.88Å; W135-G217 VanDerWaalsContact CZ3-N 3.28Å; Q139-G217 CarbonylContact O-C 3.59Å; Q139-G217 VanDerWaalsContact O-CA 3.31Å; Q139-G217 WeakPolarHBondContact O-CA 3.42Å
218	K	95.9	Very high	97.6	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.017	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.3	176.3	-76.5	-175.8	156	-78.6	0	111.7	K138 Q139 L141 I223 E321	K138-K218 WeakPolarHBondContact CA-O 3.47Å; K138-K218 WeakPolarHBondContact CB-O 3.38Å; Q139-K218 HydrophobicContact CB-CB 4.27Å; Q139-K218 PolarHBondContact N-O 3.38Å; Q139-K218 PolarHBondContact O-N 2.9Å; L141-K218 HydrophobicContact CD1-CD 4.07Å; K218-I223 PolarHBondContact NZ-O 2.9Å; K218-E321 IonicContact NZ-OE2 3.34Å
219	H	95.6	Very high	97.6	Very high	46 Å²	46	17.5 Å²	17.5	21%	0.213	9%	0.088	C	C	.	.			trans	-61.9	151.4	165.6	-75	-119.4	0	0	0	109.3	K138 T221 H222 L320	K138-H219 PolarHBondContact NZ-CE1 2.93Å; K138-H219 PolarHBondContact NZ-ND1 3.12Å; K138-H219 VanDerWaalsContact NZ-ND1 3.19Å; K138-H219 PolarHBondContact NZ-NE2 3.34Å; H219-T221 WeakPolarHBondContact CB-O 3.49Å; H219-T221 PolarHBondContact O-N 2.87Å; H219-T221 VanDerWaalsContact O-N 3.12Å; H219-H222 PolarHBondContact O-ND1 3.02Å; H219-L320 PolarHBondContact CD2-O 3.17Å; H219-L320 VanDerWaalsContact CD2-O 3.25Å; H219-L320 PolarHBondContact NE2-O 3.43Å
220	L	95.4	Very high	97.6	Very high	71 Å²	71	17.7 Å²	17.7	37%	0.372	9%	0.089	S	C	.	.	S	Bend	trans	-58.6	-28.4	179.1	-64.4	-178.3	0	0	0	112.5	N249 L250 A251	L220-N249 CarbonylContact O-C 3.58Å; L220-N249 WeakPolarHBondContact O-CA 3.29Å; L220-L250 HydrophobicContact CB-CB 4.41Å; L220-L250 HydrophobicContact CD2-CB 4.11Å; L220-L250 PolarHBondContact O-N 3.06Å; L220-A251 HydrophobicContact CD1-CB 4.37Å
221	T	97.2	Very high	97.6	Very high	13 Å²	13	19.8 Å²	19.8	8%	0.08	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.2	169.7	-46.5	0	0	0	0	109.1	H219 E248 N249 V255 T257 I280 L312	H219-T221 WeakPolarHBondContact CB-O 3.49Å; H219-T221 PolarHBondContact O-N 2.87Å; H219-T221 VanDerWaalsContact O-N 3.12Å; T221-E248 CarbonylContact C-O 3.38Å; T221-E248 VanDerWaalsContact CA-O 3.25Å; T221-E248 WeakPolarHBondContact CA-O 3.47Å; T221-N249 HydrophobicContact CG2-CB 4.45Å; T221-N249 PolarHBondContact OG1-OD1 3.37Å; T221-V255 HydrophobicContact CG2-CG2 3.61Å; T221-V255 WeakPolarHBondContact OG1-CG2 3.29Å; T221-T257 HydrophobicContact CG2-CG2 3.83Å; T221-I280 HydrophobicContact CG2-CD1 3.52Å; T221-L312 HydrophobicContact CG2-CD2 4.38Å
222	H	97.6	Very high	97.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	168.5	-172.6	62.8	-99.1	0	0	0	113	Q139 H219 L247 E248 E321	Q139-H222 PolarHBondContact OE1-CE1 2.73Å; H219-H222 PolarHBondContact O-ND1 3.02Å; H222-L247 CarbonylContact O-C 3.56Å; H222-L247 WeakPolarHBondContact O-CA 3.22Å; H222-E248 IonicContact CE1-OE2 3.47Å; H222-E248 PolarHBondContact CE1-OE2 3.44Å; H222-E248 VanDerWaalsContact CE1-OE2 3.27Å; H222-E248 PolarHBondContact N-O 2.95Å; H222-E248 IonicContact NE2-OE2 3.03Å; H222-E248 PolarHBondContact NE2-OE2 3.15Å; H222-E248 PolarHBondContact O-N 2.91Å; H222-E321 VanDerWaalsContact C-OE1 3.24Å; H222-E321 WeakPolarHBondContact CA-OE1 3.38Å; H222-E321 WeakPolarHBondContact CB-OE1 3.23Å
223	I	98.2	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	113	166	-62.3	171.3	0	0	0	107.5	F33 K218 F226 V245 L247 L259 M310 E321 V323	F33-I223 HydrophobicContact CE2-CG2 4.39Å; F33-I223 HydrophobicContact CZ-CG2 4.1Å; F33-I223 WeakPolarHBondContact CZ-O 3.38Å; K218-I223 PolarHBondContact NZ-O 2.9Å; I223-F226 HydrophobicContact CG2-CD1 4.29Å; I223-V245 HydrophobicContact CG1-CG1 4.11Å; I223-V245 HydrophobicContact CG2-CG1 3.85Å; I223-L247 HydrophobicContact CG1-CD2 3.78Å; I223-L259 HydrophobicContact CD1-CD1 4.12Å; I223-M310 HydrophobicContact CD1-CB 3.99Å; I223-E321 PolarHBondContact N-OE1 3.04Å; I223-V323 HydrophobicContact CB-CG2 4.49Å; I223-V323 HydrophobicContact CD1-CB 4.19Å; I223-V323 HydrophobicContact CD1-CG2 3.98Å
224	N	97.9	Very high	97.4	Very high	39 Å²	39	32.1 Å²	32.1	21%	0.209	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-50.3	179	178.1	54.5	0	0	0	110.9	R30 F33 V246 E248	R30-N224 WeakPolarHBondContact CD-O 3.42Å; R30-N224 PolarHBondContact NH1-O 2.88Å; F33-N224 WeakPolarHBondContact CZ-O 3.15Å; N224-V246 HydrophobicContact CB-CG1 4.46Å; N224-V246 WeakPolarHBondContact CB-O 3.35Å; N224-V246 PolarHBondContact N-O 3.29Å; N224-E248 HydrophobicContact CB-CB 3.96Å
225	D	98.3	Very high	97.3	Very high	14 Å²	14	35.3 Å²	35.3	8%	0.075	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	161.6	179	-165.6	13.9	0	0	0	110.5	R30 A31 V246 H445 K448	R30-D225 HydrophobicContact CB-CB 3.89Å; A31-D225 WeakPolarHBondContact CB-OD1 3.48Å; A31-D225 PolarHBondContact N-OD1 2.67Å; D225-V246 HydrophobicContact CB-CB 4.31Å; D225-V246 PolarHBondContact N-O 3.27Å; D225-V246 PolarHBondContact O-N 3.47Å; D225-H445 IonicContact OD2-ND1 3.7Å; D225-K448 VanDerWaalsContact CG-NZ 3.31Å; D225-K448 IonicContact OD1-NZ 3.34Å; D225-K448 PolarHBondContact OD1-NZ 3.1Å; D225-K448 IonicContact OD2-NZ 2.84Å; D225-K448 PolarHBondContact OD2-NZ 3.13Å
226	F	98.6	Very high	97.1	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.4	168.3	67.7	-88.2	0	0	0	112.2	F33 I223 V228 E244 V245 M310 V323 Q325 K448 N449	F33-F226 HydrophobicContact CB-CE1 3.95Å; F33-F226 HydrophobicContact CB-CZ 4.37Å; F33-F226 AromaticContact CD1-CD1 3.95Å; F33-F226 HydrophobicContact CD1-CD1 3.95Å; F33-F226 AromaticContact CD1-CE1 3.41Å; F33-F226 HydrophobicContact CD1-CE1 3.41Å; F33-F226 VanDerWaalsContact CD1-CE1 3.41Å; F33-F226 HydrophobicContact CD1-CZ 4.37Å; F33-F226 HydrophobicContact CD2-CE1 4.25Å; F33-F226 AromaticContact CE1-CD1 3.94Å; F33-F226 HydrophobicContact CE1-CD1 3.94Å; F33-F226 AromaticContact CE1-CE1 3.89Å; F33-F226 HydrophobicContact CE1-CE1 3.89Å; F33-F226 HydrophobicContact CG-CD1 4.45Å; F33-F226 AromaticContact CG-CE1 3.62Å; F33-F226 HydrophobicContact CG-CE1 3.62Å; F33-F226 HydrophobicContact CG-CZ 4.49Å; F33-F226 HydrophobicContact CZ-CD1 4.4Å; F33-F226 HydrophobicContact CZ-CE1 4.46Å; I223-F226 HydrophobicContact CG2-CD1 4.29Å; F226-V228 HydrophobicContact CD2-CG2 3.92Å; F226-V228 HydrophobicContact CE2-CG2 3.98Å; F226-E244 CarbonylContact C-O 3.53Å; F226-E244 WeakPolarHBondContact CA-O 3.41Å; F226-E244 WeakPolarHBondContact CB-O 3.29Å; F226-V245 HydrophobicContact CB-CG2 4.22Å; F226-M310 HydrophobicContact CB-CE 4.17Å; F226-M310 HydrophobicContact CD1-CE 3.71Å; F226-M310 HydrophobicContact CD2-CE 3.81Å; F226-M310 HydrophobicContact CE1-CE 3.98Å; F226-M310 HydrophobicContact CE2-CE 4.09Å; F226-M310 HydrophobicContact CG-CE 3.62Å; F226-M310 HydrophobicContact CZ-CE 4.17Å; F226-V323 HydrophobicContact CD1-CG1 4.39Å; F226-V323 HydrophobicContact CE1-CG1 3.7Å; F226-V323 HydrophobicContact CZ-CG1 4.31Å; F226-Q325 HydrophobicContact CE2-CB 3.82Å; F226-Q325 HydrophobicContact CE2-CG 3.83Å; F226-Q325 HydrophobicContact CZ-CB 3.97Å; F226-Q325 HydrophobicContact CZ-CG 4.28Å; F226-Q325 VanDerWaalsContact CZ-OE1 3.28Å; F226-K448 WeakPolarHBondContact O-CE 3.39Å; F226-K448 PolarHBondContact O-NZ 3.06Å; F226-N449 WeakPolarHBondContact CD2-ND2 3.2Å; F226-N449 WeakPolarHBondContact CE2-ND2 3.39Å; F226-N449 PolarHBondContact O-ND2 2.9Å
227	T	98.6	Very high	97.1	Very high	44 Å²	44	39.9 Å²	39.9	27%	0.27	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.3	178.1	-54.3	0	0	0	0	109.1	C243 E244 K448 N449	T227-C243 VanDerWaalsContact O-CA 3.3Å; T227-C243 WeakPolarHBondContact O-CA 3.23Å; T227-E244 PolarHBondContact N-O 3.37Å; T227-E244 PolarHBondContact O-N 3.39Å; T227-K448 HydrophobicContact CG2-CD 4.17Å; T227-K448 WeakPolarHBondContact OG1-CE 3.32Å; T227-K448 PolarHBondContact OG1-NZ 2.99Å; T227-N449 WeakPolarHBondContact CA-OD1 3.42Å
228	V	98.5	Very high	97.2	Very high	16 Å²	16	42 Å²	42	10%	0.097	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.4	174.1	-179.2	0	0	0	0	109.9	F226 L241 L308 Q325 V327 N449	F226-V228 HydrophobicContact CD2-CG2 3.92Å; F226-V228 HydrophobicContact CE2-CG2 3.98Å; V228-L241 HydrophobicContact CG1-CG 4.41Å; V228-L308 HydrophobicContact CG2-CD2 3.97Å; V228-Q325 HydrophobicContact CG2-CG 4.03Å; V228-V327 HydrophobicContact CG1-CG1 4.21Å; V228-V327 HydrophobicContact CG1-CG2 4.12Å; V228-N449 PolarHBondContact N-OD1 2.77Å
229	R	98.2	Very high	97.4	Very high	84 Å²	84	41.9 Å²	41.9	32%	0.317	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.8	176.4	-179.5	176.6	171.9	132.9	5.9	110	D231 S242 D480 T481	R229-D231 WeakPolarHBondContact CD-OD2 3.29Å; R229-D231 WeakPolarHBondContact CG-OD2 3.36Å; R229-D231 IonicContact CZ-OD1 2.79Å; R229-D231 IonicContact CZ-OD2 3.72Å; R229-D231 VanDerWaalsContact NE-CG 3.3Å; R229-D231 IonicContact NE-OD1 2.88Å; R229-D231 PolarHBondContact NE-OD1 2.87Å; R229-D231 IonicContact NE-OD2 3.73Å; R229-D231 PolarHBondContact NE-OD2 2.81Å; R229-D231 IonicContact NH2-OD1 3.19Å; R229-D231 PolarHBondContact NH2-OD1 3.08Å; R229-D231 IonicContact NH2-OD2 3.35Å; R229-S242 PolarHBondContact N-O 2.81Å; R229-S242 PolarHBondContact O-N 2.81Å; R229-D480 IonicContact CZ-OD1 3.09Å; R229-D480 IonicContact NH1-OD1 3.61Å; R229-D480 PolarHBondContact NH1-OD1 3.43Å; R229-D480 IonicContact NH1-OD2 3.57Å; R229-T481 HydrophobicContact CG-CG2 4.31Å
230	T	98.4	Very high	97.5	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.9	173.7	57.7	0	0	0	0	109.3	T240 V327 F329 R330	T230-T240 WeakPolarHBondContact CA-O 3.28Å; T230-V327 HydrophobicContact CG2-CG1 4.02Å; T230-F329 HydrophobicContact CG2-CD1 3.66Å; T230-F329 HydrophobicContact CG2-CE1 3.91Å; T230-F329 HydrophobicContact CG2-CG 4.23Å; T230-R330 PolarHBondContact OG1-N 3.05Å; T230-R330 PolarHBondContact OG1-O 2.96Å
231	D	97.6	Very high	97.7	Very high	45 Å²	45	38.7 Å²	38.7	24%	0.241	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.2	176.9	-62	-78.2	0	0	0	109	R229 A239 T240	R229-D231 WeakPolarHBondContact CD-OD2 3.29Å; R229-D231 WeakPolarHBondContact CG-OD2 3.36Å; R229-D231 IonicContact CZ-OD1 2.79Å; R229-D231 IonicContact CZ-OD2 3.72Å; R229-D231 VanDerWaalsContact NE-CG 3.3Å; R229-D231 IonicContact NE-OD1 2.88Å; R229-D231 PolarHBondContact NE-OD1 2.87Å; R229-D231 IonicContact NE-OD2 3.73Å; R229-D231 PolarHBondContact NE-OD2 2.81Å; R229-D231 IonicContact NH2-OD1 3.19Å; R229-D231 PolarHBondContact NH2-OD1 3.08Å; R229-D231 IonicContact NH2-OD2 3.35Å; D231-A239 CarbonylContact O-C 3.57Å; D231-A239 VanDerWaalsContact O-CA 3.3Å; D231-A239 WeakPolarHBondContact O-CA 3.41Å; D231-T240 PolarHBondContact N-O 2.8Å; D231-T240 PolarHBondContact O-N 2.79Å
232	F	98.2	Very high	97.7	Very high	26 Å²	26	39.8 Å²	39.8	11%	0.114	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	151.4	173.5	-81.9	-85.9	0	0	0	111.3	Y236 D238 A239 P295 Q297 F329 D331	F232-Y236 HydrophobicContact CB-CD1 3.71Å; F232-Y236 HydrophobicContact CB-CE1 3.98Å; F232-Y236 HydrophobicContact CB-CG 4.15Å; F232-Y236 HydrophobicContact CD1-CD1 4.18Å; F232-Y236 HydrophobicContact CD2-CD1 4.14Å; F232-Y236 HydrophobicContact CD2-CE1 4.38Å; F232-Y236 AromaticContact CG-CD1 3.74Å; F232-Y236 HydrophobicContact CG-CD1 3.74Å; F232-Y236 HydrophobicContact CG-CE1 4.25Å; F232-Y236 HydrophobicContact CG-CG 4.41Å; F232-D238 WeakPolarHBondContact CA-O 3.4Å; F232-D238 WeakPolarHBondContact CD1-O 3.21Å; F232-A239 HydrophobicContact CD1-CB 3.83Å; F232-A239 HydrophobicContact CD2-CB 4.37Å; F232-A239 HydrophobicContact CE1-CB 3.85Å; F232-A239 HydrophobicContact CE2-CB 4.38Å; F232-A239 HydrophobicContact CG-CB 4.1Å; F232-A239 HydrophobicContact CZ-CB 4.11Å; F232-P295 HydrophobicContact CE1-CG 3.78Å; F232-P295 HydrophobicContact CZ-CG 4.03Å; F232-Q297 HydrophobicContact CE1-CG 4.1Å; F232-Q297 HydrophobicContact CZ-CG 3.72Å; F232-F329 HydrophobicContact CE2-CB 4.14Å; F232-F329 HydrophobicContact CZ-CB 3.84Å; F232-D331 HydrophobicContact CD2-CB 3.87Å
233	D	97.2	Very high	97.8	Very high	64 Å²	64	39.8 Å²	39.8	34%	0.342	22%	0.218	S	C	.	.			trans	-66.4	167.9	163.6	72.8	-13.6	0	0	0	111.4	A235 Y236 C237 D238	D233-A235 PolarHBondContact O-N 2.88Å; D233-A235 VanDerWaalsContact O-N 3.11Å; D233-Y236 PolarHBondContact O-N 2.87Å; D233-Y236 WeakPolarHBondContact OD1-CA 3.47Å; D233-Y236 PolarHBondContact OD1-N 3.4Å; D233-C237 PolarHBondContact OD1-N 2.85Å; D233-D238 PolarHBondContact N-O 3Å; D233-D238 PolarHBondContact OD1-N 2.9Å
234	E	94.5	Very high	97.8	Very high	195 Å²	195	44.5 Å²	44.5	91%	0.911	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27	-177.3	-66.6	-175.9	172.5	0	0	113.2
235	A	95.2	Very high	97.8	Very high	67 Å²	67	42.6 Å²	42.6	55%	0.554	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-8	179.1	0	0	0	0	0	113.5	D233 C237	D233-A235 PolarHBondContact O-N 2.88Å; D233-A235 VanDerWaalsContact O-N 3.11Å; A235-C237 HydrophobicContact CB-CB 4.33Å; A235-C237 PolarHBondContact O-N 2.81Å
236	Y	95.9	Very high	97.8	Very high	32 Å²	32	43.4 Å²	43.4	13%	0.125	24%	0.235	C	C	.	.	S	Bend	trans	54.7	28.7	-171.1	-70.7	-104.8	0	0	0	113.3	F232 D233 Q297 D331 N343	F232-Y236 HydrophobicContact CB-CD1 3.71Å; F232-Y236 HydrophobicContact CB-CE1 3.98Å; F232-Y236 HydrophobicContact CB-CG 4.15Å; F232-Y236 HydrophobicContact CD1-CD1 4.18Å; F232-Y236 HydrophobicContact CD2-CD1 4.14Å; F232-Y236 HydrophobicContact CD2-CE1 4.38Å; F232-Y236 AromaticContact CG-CD1 3.74Å; F232-Y236 HydrophobicContact CG-CD1 3.74Å; F232-Y236 HydrophobicContact CG-CE1 4.25Å; F232-Y236 HydrophobicContact CG-CG 4.41Å; D233-Y236 PolarHBondContact O-N 2.87Å; D233-Y236 WeakPolarHBondContact OD1-CA 3.47Å; D233-Y236 PolarHBondContact OD1-N 3.4Å; Y236-Q297 PolarHBondContact O-NE2 2.82Å; Y236-D331 HydrophobicContact CE1-CB 4.06Å; Y236-D331 PolarHBondContact OH-OD2 3.01Å; Y236-N343 HydrophobicContact CD1-CB 4.01Å; Y236-N343 HydrophobicContact CD2-CB 3.56Å; Y236-N343 HydrophobicContact CE1-CB 3.91Å; Y236-N343 HydrophobicContact CE2-CB 3.45Å; Y236-N343 VanDerWaalsContact CE2-CB 3.45Å; Y236-N343 HydrophobicContact CG-CB 3.84Å
237	C	97.1	Very high	97.8	Very high	66 Å²	66	43.3 Å²	43.3	45%	0.446	24%	0.235	S	C	.	.	S	Bend	trans	-85.2	-51.9	176.9	-74.7	0	0	0	0	110.4	D233 A235 Q294	D233-C237 PolarHBondContact OD1-N 2.85Å; A235-C237 HydrophobicContact CB-CB 4.33Å; A235-C237 PolarHBondContact O-N 2.81Å; C237-Q294 WeakPolarHBondContact O-CA 3.27Å; C237-Q294 PolarHBondContact O-N 2.93Å
238	D	98.2	Very high	97.8	Very high	49 Å²	49	43.1 Å²	43.1	26%	0.262	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158.2	-176.5	-59.1	-34.1	0	0	0	109.8	F232 D233 T291 E293 Q294	F232-D238 WeakPolarHBondContact CA-O 3.4Å; F232-D238 WeakPolarHBondContact CD1-O 3.21Å; D233-D238 PolarHBondContact N-O 3Å; D233-D238 PolarHBondContact OD1-N 2.9Å; D238-T291 HydrophobicContact CB-CG2 4.1Å; D238-E293 WeakPolarHBondContact OD1-CA 3.19Å; D238-Q294 PolarHBondContact OD1-N 2.86Å
239	A	98.4	Very high	97.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.7	176.3	0	0	0	0	0	112	D231 F232 T291 V292 P295 F329	D231-A239 CarbonylContact O-C 3.57Å; D231-A239 VanDerWaalsContact O-CA 3.3Å; D231-A239 WeakPolarHBondContact O-CA 3.41Å; F232-A239 HydrophobicContact CD1-CB 3.83Å; F232-A239 HydrophobicContact CD2-CB 4.37Å; F232-A239 HydrophobicContact CE1-CB 3.85Å; F232-A239 HydrophobicContact CE2-CB 4.38Å; F232-A239 HydrophobicContact CG-CB 4.1Å; F232-A239 HydrophobicContact CZ-CB 4.11Å; A239-T291 CarbonylContact O-C 3.6Å; A239-T291 WeakPolarHBondContact O-CA 3.26Å; A239-V292 PolarHBondContact N-O 2.82Å; A239-V292 PolarHBondContact O-N 2.89Å; A239-P295 HydrophobicContact CB-CG 3.85Å; A239-F329 HydrophobicContact CB-CD1 3.67Å; A239-F329 HydrophobicContact CB-CE1 4.03Å
240	T	98.7	Very high	97.6	Very high	51 Å²	51	41.8 Å²	41.8	31%	0.313	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.1	166.8	-57.3	0	0	0	0	108.9	T230 D231 A289	T230-T240 WeakPolarHBondContact CA-O 3.28Å; D231-T240 PolarHBondContact N-O 2.8Å; D231-T240 PolarHBondContact O-N 2.79Å; T240-A289 HydrophobicContact CG2-CB 4.09Å
241	L	98.7	Very high	97.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.1	165.3	-174	160.8	0	0	0	107.6	V228 L263 F288 A289 F290 L308 V327 F329	V228-L241 HydrophobicContact CG1-CG 4.41Å; L241-L263 HydrophobicContact CD1-CD1 3.91Å; L241-L263 HydrophobicContact CD1-CD2 4.18Å; L241-F288 HydrophobicContact CD2-CE2 4.28Å; L241-A289 VanDerWaalsContact O-CA 3.23Å; L241-A289 WeakPolarHBondContact O-CA 3.32Å; L241-F290 HydrophobicContact CB-CE2 4.18Å; L241-F290 HydrophobicContact CB-CZ 4.23Å; L241-F290 HydrophobicContact CD1-CE2 4.5Å; L241-F290 HydrophobicContact CD1-CZ 4.15Å; L241-F290 HydrophobicContact CD2-CE1 4.03Å; L241-F290 HydrophobicContact CD2-CZ 3.92Å; L241-F290 HydrophobicContact CG-CZ 4.33Å; L241-F290 PolarHBondContact N-O 3.35Å; L241-F290 PolarHBondContact O-N 2.97Å; L241-L308 HydrophobicContact CD2-CD2 4.28Å; L241-V327 HydrophobicContact CD1-CG1 3.93Å; L241-V327 HydrophobicContact CD1-CG2 4.39Å; L241-F329 HydrophobicContact CB-CE1 4.16Å; L241-F329 HydrophobicContact CB-CZ 4.3Å; L241-F329 HydrophobicContact CD1-CE1 4.48Å; L241-F329 HydrophobicContact CD1-CZ 3.93Å
242	S	98.7	Very high	97	Very high	35 Å²	35	46.4 Å²	46.4	25%	0.245	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.6	173.3	-58.2	0	0	0	0	109.9	R229 F288	R229-S242 PolarHBondContact N-O 2.81Å; R229-S242 PolarHBondContact O-N 2.81Å; S242-F288 WeakPolarHBondContact CA-O 3.32Å
243	C	98.8	Very high	96.8	Very high	2 Å²	2	49 Å²	49	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.4	174.7	-167.6	0	0	0	0	110	T227 S287 F288 L308	T227-C243 VanDerWaalsContact O-CA 3.3Å; T227-C243 WeakPolarHBondContact O-CA 3.23Å; C243-S287 VanDerWaalsContact O-CA 3.31Å; C243-S287 WeakPolarHBondContact O-CA 3.35Å; C243-F288 HydrophobicContact CB-CD1 4.28Å; C243-F288 HydrophobicContact CB-CD2 3.97Å; C243-F288 HydrophobicContact CB-CE1 3.74Å; C243-F288 HydrophobicContact CB-CE2 3.38Å; C243-F288 HydrophobicContact CB-CG 4.4Å; C243-F288 HydrophobicContact CB-CZ 3.27Å; C243-F288 PolarHBondContact N-O 3.46Å; C243-F288 PolarHBondContact O-N 3.43Å; C243-L308 HydrophobicContact CB-CD2 4.5Å
244	E	98.5	Very high	96.6	Very high	98 Å²	98	49.9 Å²	49.9	46%	0.458	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.9	165.4	-175.5	-177.9	-176.4	0	0	108.5	F226 T227	F226-E244 CarbonylContact C-O 3.53Å; F226-E244 WeakPolarHBondContact CA-O 3.41Å; F226-E244 WeakPolarHBondContact CB-O 3.29Å; T227-E244 PolarHBondContact N-O 3.37Å; T227-E244 PolarHBondContact O-N 3.39Å
245	V	98.6	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125	-178.1	-174.1	0	0	0	0	108.7	I223 F226 L247 L259 S285 A286 F288 M310	I223-V245 HydrophobicContact CG1-CG1 4.11Å; I223-V245 HydrophobicContact CG2-CG1 3.85Å; F226-V245 HydrophobicContact CB-CG2 4.22Å; V245-L247 HydrophobicContact CG1-CD2 4.26Å; V245-L247 HydrophobicContact CG1-CG 4.29Å; V245-L259 HydrophobicContact CB-CD2 4.25Å; V245-L259 HydrophobicContact CG1-CD2 4.22Å; V245-L259 HydrophobicContact CG2-CD2 4.12Å; V245-S285 CarbonylContact O-C 3.59Å; V245-S285 WeakPolarHBondContact O-CA 3.32Å; V245-A286 PolarHBondContact N-O 2.85Å; V245-A286 PolarHBondContact O-N 2.88Å; V245-F288 HydrophobicContact CG2-CE1 3.93Å; V245-M310 HydrophobicContact CG2-SD 3.68Å
246	V	98.3	Very high	96.7	Very high	30 Å²	30	42.6 Å²	42.6	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.1	173.3	-177.3	0	0	0	0	108.1	N224 D225 L283	N224-V246 HydrophobicContact CB-CG1 4.46Å; N224-V246 WeakPolarHBondContact CB-O 3.35Å; N224-V246 PolarHBondContact N-O 3.29Å; D225-V246 HydrophobicContact CB-CB 4.31Å; D225-V246 PolarHBondContact N-O 3.27Å; D225-V246 PolarHBondContact O-N 3.47Å; V246-L283 HydrophobicContact CG1-CD2 3.97Å
247	L	98.3	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.1	178.5	-62.8	157	0	0	0	109.4	H222 I223 V245 L278 I280 L283 T284 A286 L312	H222-L247 CarbonylContact O-C 3.56Å; H222-L247 WeakPolarHBondContact O-CA 3.22Å; I223-L247 HydrophobicContact CG1-CD2 3.78Å; V245-L247 HydrophobicContact CG1-CD2 4.26Å; V245-L247 HydrophobicContact CG1-CG 4.29Å; L247-L278 HydrophobicContact CD1-CD1 3.79Å; L247-I280 HydrophobicContact CB-CD1 3.8Å; L247-I280 HydrophobicContact CB-CG1 4.16Å; L247-I280 HydrophobicContact CB-CG2 4.28Å; L247-I280 HydrophobicContact CD1-CD1 4.02Å; L247-I280 HydrophobicContact CD1-CG1 4.3Å; L247-I280 HydrophobicContact CD2-CD1 4.46Å; L247-I280 HydrophobicContact CG-CD1 4.31Å; L247-L283 CarbonylContact O-C 3.57Å; L247-L283 WeakPolarHBondContact O-CA 3.38Å; L247-T284 PolarHBondContact N-O 3.31Å; L247-T284 PolarHBondContact O-N 2.77Å; L247-A286 HydrophobicContact CD1-CB 4.19Å; L247-L312 HydrophobicContact CD2-CD1 3.84Å; L247-L312 HydrophobicContact CD2-CD2 4.07Å
248	E	97.7	Very high	96.8	Very high	39 Å²	39	40.2 Å²	40.2	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.1	174.8	-172.7	171.6	-132.8	0	0	111.1	T221 H222 N224 L250 K282 L283	T221-E248 CarbonylContact C-O 3.38Å; T221-E248 VanDerWaalsContact CA-O 3.25Å; T221-E248 WeakPolarHBondContact CA-O 3.47Å; H222-E248 IonicContact CE1-OE2 3.47Å; H222-E248 PolarHBondContact CE1-OE2 3.44Å; H222-E248 VanDerWaalsContact CE1-OE2 3.27Å; H222-E248 PolarHBondContact N-O 2.95Å; H222-E248 IonicContact NE2-OE2 3.03Å; H222-E248 PolarHBondContact NE2-OE2 3.15Å; H222-E248 PolarHBondContact O-N 2.91Å; N224-E248 HydrophobicContact CB-CB 3.96Å; E248-L250 HydrophobicContact CG-CD2 3.96Å; E248-L250 HydrophobicContact CG-CG 4.12Å; E248-K282 CarbonylContact C-O 3.55Å; E248-K282 WeakPolarHBondContact CA-O 3.49Å; E248-L283 HydrophobicContact CB-CD2 3.84Å; E248-L283 HydrophobicContact CG-CD2 3.98Å
249	N	97.6	Very high	96.8	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.2	167.8	178.9	31.6	0	0	0	110	L220 T221 A251 S253 V255 I280 E281 K282	L220-N249 CarbonylContact O-C 3.58Å; L220-N249 WeakPolarHBondContact O-CA 3.29Å; T221-N249 HydrophobicContact CG2-CB 4.45Å; T221-N249 PolarHBondContact OG1-OD1 3.37Å; N249-A251 VanDerWaalsContact OD1-CB 3.24Å; N249-A251 WeakPolarHBondContact OD1-CB 3.32Å; N249-A251 PolarHBondContact OD1-N 3.45Å; N249-S253 PolarHBondContact ND2-O 3.02Å; N249-V255 HydrophobicContact CB-CG2 4.3Å; N249-I280 HydrophobicContact CB-CB 4.05Å; N249-I280 HydrophobicContact CB-CG2 3.51Å; N249-I280 PolarHBondContact ND2-O 3.03Å; N249-E281 PolarHBondContact ND2-O 2.84Å; N249-K282 PolarHBondContact N-O 3.5Å
250	L	95.8	Very high	96.8	Very high	69 Å²	69	40.5 Å²	40.5	36%	0.361	25%	0.25	S	S	.	.			trans	-93.2	-2	177.4	-61.2	173.6	0	0	0	112.8	Q139 L220 E248	Q139-L250 HydrophobicContact CB-CD1 3.95Å; Q139-L250 HydrophobicContact CG-CD1 3.9Å; L220-L250 HydrophobicContact CB-CB 4.41Å; L220-L250 HydrophobicContact CD2-CB 4.11Å; L220-L250 PolarHBondContact O-N 3.06Å; E248-L250 HydrophobicContact CG-CD2 3.96Å; E248-L250 HydrophobicContact CG-CG 4.12Å
251	A	92.8	Very high	96.8	Very high	35 Å²	35	39 Å²	39	29%	0.289	24%	0.238	S	C	.	.	S	Bend	trans	-73.3	157	175.5	0	0	0	0	0	111.7	L220 N249 S253	L220-A251 HydrophobicContact CD1-CB 4.37Å; N249-A251 VanDerWaalsContact OD1-CB 3.24Å; N249-A251 WeakPolarHBondContact OD1-CB 3.32Å; N249-A251 PolarHBondContact OD1-N 3.45Å; A251-S253 PolarHBondContact O-N 3.22Å
252	A	90.2	Very high	96.8	Very high	111 Å²	111	40 Å²	40	92%	0.917	25%	0.245	S	C	*	.	S	Bend	trans	-68.1	-15.1	-179.1	0	0	0	0	0	114.3
253	S	93.8	Very high	96.8	Very high	80 Å²	80	38.3 Å²	38.3	56%	0.559	23%	0.233	S	C	*	.	S	Bend	trans	-127.1	145.2	-177.7	-62.4	0	0	0	0	110.1	N249 A251	N249-S253 PolarHBondContact ND2-O 3.02Å; A251-S253 PolarHBondContact O-N 3.22Å
254	P	93.4	Very high	96.8	Very high	83 Å²	83	39.4 Å²	39.4	54%	0.539	24%	0.238	S	C	.	.			trans	-54.8	143.9	171.4	-24.9	34.6	0	0	0	111.4	I280 E281	P254-I280 WeakPolarHBondContact CA-O 3.32Å; P254-E281 HydrophobicContact CB-CG 4.06Å; P254-E281 HydrophobicContact CG-CB 4.36Å; P254-E281 HydrophobicContact CG-CG 3.9Å
255	V	95.3	Very high	96.8	Very high	42 Å²	42	36.1 Å²	36.1	26%	0.255	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.8	176.9	-62.8	0	0	0	0	110.3	T221 N249 T257 A279 I280	T221-V255 HydrophobicContact CG2-CG2 3.61Å; T221-V255 WeakPolarHBondContact OG1-CG2 3.29Å; N249-V255 HydrophobicContact CB-CG2 4.3Å; V255-T257 HydrophobicContact CG2-CG2 4.16Å; V255-A279 WeakPolarHBondContact O-CA 3.5Å; V255-I280 HydrophobicContact CG2-CB 4.18Å; V255-I280 PolarHBondContact N-O 3.2Å; V255-I280 VanDerWaalsContact N-O 3.11Å; V255-I280 PolarHBondContact O-N 2.72Å
256	V	96.1	Very high	96.7	Very high	67 Å²	67	38.1 Å²	38.1	41%	0.406	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.9	171	-179	0	0	0	0	108.3	H277 L278 A315	V256-H277 HydrophobicContact CG1-CB 4.33Å; V256-L278 CarbonylContact C-O 3.41Å; V256-L278 WeakPolarHBondContact CA-O 3.41Å; V256-A315 PolarHBondContact O-N 2.84Å
257	T	97.4	Very high	96.6	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	172	-179.8	58.8	0	0	0	0	110.9	T221 V255 H277 L278 I280 L312 K313 L320	T221-T257 HydrophobicContact CG2-CG2 3.83Å; V255-T257 HydrophobicContact CG2-CG2 4.16Å; T257-H277 PolarHBondContact O-N 3.48Å; T257-L278 PolarHBondContact N-O 2.78Å; T257-L278 PolarHBondContact O-N 3.01Å; T257-L278 PolarHBondContact OG1-O 3.43Å; T257-I280 HydrophobicContact CG2-CD1 3.86Å; T257-I280 WeakPolarHBondContact OG1-CD1 3.35Å; T257-L312 HydrophobicContact CG2-CD1 4.38Å; T257-K313 CarbonylContact C-O 3.58Å; T257-K313 WeakPolarHBondContact CA-O 3.39Å; T257-K313 WeakPolarHBondContact CB-O 3.31Å; T257-L320 HydrophobicContact CG2-CD1 4.26Å
258	M	97.9	Very high	96.6	Very high	43 Å²	43	50.4 Å²	50.4	21%	0.212	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.7	170.6	179.6	177.7	67.8	0	0	108.4	E260 A274 K313	M258-E260 HydrophobicContact CE-CG 4.02Å; M258-E260 WeakPolarHBondContact CE-OE1 3.44Å; M258-A274 HydrophobicContact CG-CB 4.21Å; M258-A274 HydrophobicContact SD-CB 4.4Å; M258-K313 HydrophobicContact CE-CB 4.3Å; M258-K313 HydrophobicContact CE-CD 3.69Å; M258-K313 HydrophobicContact CE-CG 4.42Å; M258-K313 PolarHBondContact N-O 2.87Å; M258-K313 PolarHBondContact O-N 3.01Å
259	L	98.5	Very high	96.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	104.5	175.7	179.7	66.5	0	0	0	109.1	I223 V245 A274 I275 L278 F288 M310 L312	I223-L259 HydrophobicContact CD1-CD1 4.12Å; V245-L259 HydrophobicContact CB-CD2 4.25Å; V245-L259 HydrophobicContact CG1-CD2 4.22Å; V245-L259 HydrophobicContact CG2-CD2 4.12Å; L259-A274 CarbonylContact O-C 3.49Å; L259-A274 WeakPolarHBondContact O-CA 3.27Å; L259-I275 HydrophobicContact CD2-CD1 4.49Å; L259-I275 PolarHBondContact N-O 3.45Å; L259-I275 VanDerWaalsContact N-O 3.13Å; L259-I275 PolarHBondContact O-N 3.05Å; L259-L278 HydrophobicContact CB-CD1 3.58Å; L259-F288 HydrophobicContact CD2-CE1 4.34Å; L259-M310 HydrophobicContact CD1-CB 4.21Å; L259-L312 HydrophobicContact CD1-CD1 4.43Å
260	E	98.5	Very high	96.6	Very high	57 Å²	57	53.9 Å²	53.9	27%	0.266	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.2	169.8	-72.2	175	-174.2	0	0	109.9	M258 A274 M310 T311 K313	M258-E260 HydrophobicContact CE-CG 4.02Å; M258-E260 WeakPolarHBondContact CE-OE1 3.44Å; E260-A274 HydrophobicContact CG-CB 3.97Å; E260-M310 CarbonylContact O-C 3.57Å; E260-M310 WeakPolarHBondContact O-CA 3.48Å; E260-T311 PolarHBondContact N-O 2.96Å; E260-T311 PolarHBondContact O-N 3.15Å; E260-K313 VanDerWaalsContact CD-CE 3.45Å; E260-K313 WeakPolarHBondContact OE1-CE 3.31Å; E260-K313 IonicContact OE1-NZ 3.75Å; E260-K313 PolarHBondContact OE1-NZ 2.63Å; E260-K313 WeakPolarHBondContact OE2-CE 3.5Å; E260-K313 IonicContact OE2-NZ 3.94Å; E260-K313 PolarHBondContact OE2-NZ 2.64Å
261	Y	98.6	Very high	96.7	Very high	18 Å²	18	53.1 Å²	53.1	7%	0.071	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.5	175.1	53.5	-86.7	0	0	0	110.6	H271 S272 S273 I275 F288 F290 V309	Y261-H271 AromaticContact CE2-CD2 3.89Å; Y261-H271 AromaticContact CE2-NE2 3.72Å; Y261-S272 WeakPolarHBondContact O-CA 3.26Å; Y261-S273 VanDerWaalsContact CZ-CB 3.49Å; Y261-S273 PolarHBondContact N-O 2.86Å; Y261-S273 PolarHBondContact O-N 2.9Å; Y261-S273 WeakPolarHBondContact OH-CB 3.47Å; Y261-S273 PolarHBondContact OH-OG 3.27Å; Y261-S273 VanDerWaalsContact OH-OG 3.13Å; Y261-I275 HydrophobicContact CE1-CG1 4.03Å; Y261-F288 HydrophobicContact CD1-CB 4.4Å; Y261-F288 AromaticContact CD1-CD1 3.68Å; Y261-F288 HydrophobicContact CD1-CD1 3.68Å; Y261-F288 HydrophobicContact CD1-CD2 4.29Å; Y261-F288 AromaticContact CD1-CE1 3.9Å; Y261-F288 HydrophobicContact CD1-CE1 3.9Å; Y261-F288 HydrophobicContact CD1-CE2 4.48Å; Y261-F288 AromaticContact CD1-CG 3.88Å; Y261-F288 HydrophobicContact CD1-CG 3.88Å; Y261-F288 HydrophobicContact CD1-CZ 4.28Å; Y261-F288 HydrophobicContact CD2-CD1 4.43Å; Y261-F288 AromaticContact CD2-CD2 3.57Å; Y261-F288 HydrophobicContact CD2-CD2 3.57Å; Y261-F288 HydrophobicContact CD2-CE1 4.49Å; Y261-F288 AromaticContact CD2-CE2 3.65Å; Y261-F288 HydrophobicContact CD2-CE2 3.65Å; Y261-F288 AromaticContact CD2-CG 3.97Å; Y261-F288 HydrophobicContact CD2-CG 3.97Å; Y261-F288 HydrophobicContact CD2-CZ 4.11Å; Y261-F288 HydrophobicContact CE1-CB 3.79Å; Y261-F288 AromaticContact CE1-CD1 3.9Å; Y261-F288 HydrophobicContact CE1-CD1 3.9Å; Y261-F288 HydrophobicContact CE1-CD2 4.35Å; Y261-F288 AromaticContact CE1-CG 3.76Å; Y261-F288 HydrophobicContact CE1-CG 3.76Å; Y261-F288 HydrophobicContact CE2-CB 4.02Å; Y261-F288 AromaticContact CE2-CD2 3.62Å; Y261-F288 HydrophobicContact CE2-CD2 3.62Å; Y261-F288 HydrophobicContact CE2-CE2 4.2Å; Y261-F288 AromaticContact CE2-CG 3.84Å; Y261-F288 HydrophobicContact CE2-CG 3.84Å; Y261-F288 AromaticContact CG-CD1 3.97Å; Y261-F288 HydrophobicContact CG-CD1 3.97Å; Y261-F288 AromaticContact CG-CD2 3.91Å; Y261-F288 HydrophobicContact CG-CD2 3.91Å; Y261-F288 AromaticContact CG-CE1 3.86Å; Y261-F288 HydrophobicContact CG-CE1 3.86Å; Y261-F288 AromaticContact CG-CE2 3.81Å; Y261-F288 HydrophobicContact CG-CE2 3.81Å; Y261-F288 AromaticContact CG-CG 3.98Å; Y261-F288 HydrophobicContact CG-CG 3.98Å; Y261-F288 AromaticContact CG-CZ 3.76Å; Y261-F288 HydrophobicContact CG-CZ 3.76Å; Y261-F288 AromaticContact CZ-CG 3.73Å; Y261-F290 HydrophobicContact CD2-CD1 4.33Å; Y261-F290 AromaticContact CD2-CE1 3.89Å; Y261-F290 HydrophobicContact CD2-CE1 3.89Å; Y261-F290 AromaticContact CE2-CD1 3.9Å; Y261-F290 HydrophobicContact CE2-CD1 3.9Å; Y261-F290 AromaticContact CE2-CE1 3.95Å; Y261-F290 HydrophobicContact CE2-CE1 3.95Å; Y261-V309 WeakPolarHBondContact CA-O 3.36Å
262	T	98.8	Very high	97	Very high	21 Å²	21	55 Å²	55	13%	0.129	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.7	-178	-51.6	0	0	0	0	110	F264 V269 H271 S272 V309	T262-F264 HydrophobicContact CG2-CD1 4.49Å; T262-F264 HydrophobicContact CG2-CD2 3.91Å; T262-F264 HydrophobicContact CG2-CE1 4.02Å; T262-F264 HydrophobicContact CG2-CE2 3.37Å; T262-F264 HydrophobicContact CG2-CG 4.44Å; T262-F264 HydrophobicContact CG2-CZ 3.43Å; T262-F264 VanDerWaalsContact CG2-CZ 3.43Å; T262-V269 HydrophobicContact CG2-CG1 3.77Å; T262-V269 HydrophobicContact CG2-CG2 4.14Å; T262-H271 CarbonylContact C-O 3.6Å; T262-H271 VanDerWaalsContact CA-O 3.29Å; T262-H271 WeakPolarHBondContact CA-O 3.42Å; T262-H271 WeakPolarHBondContact CG2-O 3.47Å; T262-S272 PolarHBondContact OG1-OG 3.11Å; T262-V309 PolarHBondContact N-O 3.43Å; T262-V309 PolarHBondContact O-N 2.92Å
263	L	98.8	Very high	97.4	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.8	171	-173.3	71.1	0	0	0	109.4	L241 V270 H271 F290 V292 Y306 H307 L308 F329	L241-L263 HydrophobicContact CD1-CD1 3.91Å; L241-L263 HydrophobicContact CD1-CD2 4.18Å; L263-V270 HydrophobicContact CB-CB 4.4Å; L263-V270 HydrophobicContact CD2-CB 4.21Å; L263-V270 HydrophobicContact CD2-CG1 4.13Å; L263-V270 HydrophobicContact CG-CB 4.36Å; L263-V270 PolarHBondContact O-N 3.47Å; L263-H271 HydrophobicContact CB-CB 4.41Å; L263-H271 PolarHBondContact N-O 3.32Å; L263-H271 PolarHBondContact O-N 3.11Å; L263-F290 HydrophobicContact CB-CE2 4.16Å; L263-F290 HydrophobicContact CB-CZ 4Å; L263-F290 HydrophobicContact CD2-CE2 3.93Å; L263-F290 HydrophobicContact CD2-CZ 4.35Å; L263-V292 HydrophobicContact CD2-CG2 3.66Å; L263-Y306 HydrophobicContact CD1-CG 4.48Å; L263-Y306 HydrophobicContact CD2-CD1 4.36Å; L263-Y306 HydrophobicContact CG-CD1 4.35Å; L263-H307 WeakPolarHBondContact CA-O 3.38Å; L263-L308 HydrophobicContact CD1-CB 4.16Å; L263-F329 HydrophobicContact CD2-CE2 4.29Å; L263-F329 HydrophobicContact CD2-CZ 4Å
264	F	98.7	Very high	97.6	Very high	26 Å²	26	49.7 Å²	49.7	11%	0.114	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140	178.3	-65	-91.7	0	0	0	112	V39 T262 R268 V269 Y306 H307 V309	V39-F264 HydrophobicContact CG1-CE2 4.24Å; V39-F264 HydrophobicContact CG1-CZ 4.16Å; T262-F264 HydrophobicContact CG2-CD1 4.49Å; T262-F264 HydrophobicContact CG2-CD2 3.91Å; T262-F264 HydrophobicContact CG2-CE1 4.02Å; T262-F264 HydrophobicContact CG2-CE2 3.37Å; T262-F264 HydrophobicContact CG2-CG 4.44Å; T262-F264 HydrophobicContact CG2-CZ 3.43Å; T262-F264 VanDerWaalsContact CG2-CZ 3.43Å; F264-R268 CarbonylContact C-O 3.57Å; F264-R268 WeakPolarHBondContact CA-O 3.2Å; F264-V269 HydrophobicContact CD1-CG2 3.98Å; F264-V269 HydrophobicContact CE1-CG2 3.57Å; F264-V269 HydrophobicContact CZ-CG2 4.34Å; F264-Y306 WeakPolarHBondContact O-CA 3.36Å; F264-Y306 WeakPolarHBondContact O-CB 3.2Å; F264-H307 HydrophobicContact CB-CB 4.29Å; F264-H307 PolarHBondContact N-O 3.47Å; F264-H307 PolarHBondContact O-N 2.91Å; F264-V309 HydrophobicContact CD2-CB 4.47Å; F264-V309 HydrophobicContact CD2-CG2 3.91Å; F264-V309 HydrophobicContact CE2-CB 4.1Å; F264-V309 HydrophobicContact CE2-CG2 3.88Å
265	D	98.1	Very high	97.8	Very high	28 Å²	28	47.6 Å²	47.6	15%	0.15	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	96	169.2	176.1	25.5	0	0	0	108.7	E267 R268 V270 Y304 Y306	D265-E267 PolarHBondContact O-N 2.88Å; D265-E267 VanDerWaalsContact O-N 3.15Å; D265-R268 HydrophobicContact CB-CB 4.4Å; D265-R268 PolarHBondContact N-O 3.13Å; D265-R268 WeakPolarHBondContact O-CB 3.24Å; D265-R268 PolarHBondContact O-N 2.89Å; D265-R268 IonicContact OD2-CZ 3.04Å; D265-R268 IonicContact OD2-NE 2.79Å; D265-R268 PolarHBondContact OD2-NE 2.82Å; D265-R268 IonicContact OD2-NH2 2.99Å; D265-R268 PolarHBondContact OD2-NH2 2.96Å; D265-V270 HydrophobicContact CB-CG2 3.45Å; D265-V270 VanDerWaalsContact CB-CG2 3.45Å; D265-Y304 WeakPolarHBondContact OD1-CE1 3.4Å; D265-Y304 PolarHBondContact OD1-OH 2.8Å; D265-Y306 HydrophobicContact CB-CD1 3.89Å; D265-Y306 HydrophobicContact CB-CE1 3.72Å
266	G	95.4	Very high	97.6	Very high	43 Å²	43	50.5 Å²	50.5	44%	0.443	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	-121.8	-160.8	0	0	0	0	0	109.6	R43	R43-G266 PolarHBondContact NH2-O 2.86Å
267	E	96.5	Very high	97.4	Very high	149 Å²	149	54.9 Å²	54.9	70%	0.696	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.6	174.8	-61.9	-52.4	123.1	0	0	114	R43 D265	R43-E267 IonicContact CZ-OE1 3.87Å; R43-E267 IonicContact CZ-OE2 3.01Å; R43-E267 VanDerWaalsContact NH1-CD 3.31Å; R43-E267 IonicContact NH1-OE1 3.6Å; R43-E267 PolarHBondContact NH1-OE1 3.11Å; R43-E267 IonicContact NH1-OE2 3.97Å; R43-E267 PolarHBondContact NH1-OE2 3.35Å; R43-E267 IonicContact NH2-OE1 3.17Å; R43-E267 PolarHBondContact NH2-OE1 3.07Å; R43-E267 IonicContact NH2-OE2 2.62Å; D265-E267 PolarHBondContact O-N 2.88Å; D265-E267 VanDerWaalsContact O-N 3.15Å
268	R	97.9	Very high	97.2	Very high	138 Å²	138	55.5 Å²	55.5	52%	0.521	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.3	-177.9	-177	177.9	68.8	98.2	-7.4	109.9	F264 D265 V270	F264-R268 CarbonylContact C-O 3.57Å; F264-R268 WeakPolarHBondContact CA-O 3.2Å; D265-R268 HydrophobicContact CB-CB 4.4Å; D265-R268 PolarHBondContact N-O 3.13Å; D265-R268 WeakPolarHBondContact O-CB 3.24Å; D265-R268 PolarHBondContact O-N 2.89Å; D265-R268 IonicContact OD2-CZ 3.04Å; D265-R268 IonicContact OD2-NE 2.79Å; D265-R268 PolarHBondContact OD2-NE 2.82Å; D265-R268 IonicContact OD2-NH2 2.99Å; D265-R268 PolarHBondContact OD2-NH2 2.96Å; R268-V270 PolarHBondContact O-N 3Å
269	V	98.4	Very high	97.1	Very high	76 Å²	76	56.3 Å²	56.3	46%	0.461	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.1	168.9	176.5	0	0	0	0	108.8	T262 F264	T262-V269 HydrophobicContact CG2-CG1 3.77Å; T262-V269 HydrophobicContact CG2-CG2 4.14Å; F264-V269 HydrophobicContact CD1-CG2 3.98Å; F264-V269 HydrophobicContact CE1-CG2 3.57Å; F264-V269 HydrophobicContact CZ-CG2 4.34Å
270	V	98.2	Very high	96.9	Very high	41 Å²	41	56.3 Å²	56.3	25%	0.248	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-45	175.5	178.9	0	0	0	0	110.3	L263 D265 R268 V292 Y306	L263-V270 HydrophobicContact CB-CB 4.4Å; L263-V270 HydrophobicContact CD2-CB 4.21Å; L263-V270 HydrophobicContact CD2-CG1 4.13Å; L263-V270 HydrophobicContact CG-CB 4.36Å; L263-V270 PolarHBondContact O-N 3.47Å; D265-V270 HydrophobicContact CB-CG2 3.45Å; D265-V270 VanDerWaalsContact CB-CG2 3.45Å; R268-V270 PolarHBondContact O-N 3Å; V270-V292 HydrophobicContact CG1-CG1 3.92Å; V270-V292 HydrophobicContact CG1-CG2 4.39Å; V270-Y306 HydrophobicContact CG2-CD1 4.34Å; V270-Y306 HydrophobicContact CG2-CE1 4.2Å
271	H	98.5	Very high	96.5	Very high	52 Å²	52	60.1 Å²	60.1	24%	0.241	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	144	178.8	-174.6	85.4	0	0	0	109.4	Y261 T262 L263 S273 F290	Y261-H271 AromaticContact CE2-CD2 3.89Å; Y261-H271 AromaticContact CE2-NE2 3.72Å; T262-H271 CarbonylContact C-O 3.6Å; T262-H271 VanDerWaalsContact CA-O 3.29Å; T262-H271 WeakPolarHBondContact CA-O 3.42Å; T262-H271 WeakPolarHBondContact CG2-O 3.47Å; L263-H271 HydrophobicContact CB-CB 4.41Å; L263-H271 PolarHBondContact N-O 3.32Å; L263-H271 PolarHBondContact O-N 3.11Å; H271-S273 WeakPolarHBondContact NE2-CB 3.4Å; H271-F290 HydrophobicContact CB-CD2 3.7Å; H271-F290 HydrophobicContact CB-CE2 3.57Å; H271-F290 HydrophobicContact CB-CG 4.33Å; H271-F290 HydrophobicContact CB-CZ 4.11Å; H271-F290 AromaticContact CD2-CD1 3.44Å; H271-F290 VanDerWaalsContact CD2-CD1 3.44Å; H271-F290 WeakPolarHBondContact CD2-CD1 3.18Å; H271-F290 AromaticContact CD2-CD2 3.8Å; H271-F290 AromaticContact CD2-CE1 3.66Å; H271-F290 AromaticContact CD2-CE2 4Å; H271-F290 AromaticContact CD2-CG 3.51Å; H271-F290 AromaticContact CD2-CZ 3.94Å; H271-F290 AromaticContact CE1-CG 3.82Å; H271-F290 AromaticContact CG-CD2 3.49Å; H271-F290 VanDerWaalsContact CG-CD2 3.49Å; H271-F290 AromaticContact CG-CE2 3.78Å; H271-F290 AromaticContact CG-CG 3.63Å; H271-F290 AromaticContact ND1-CD2 3.86Å; H271-F290 AromaticContact ND1-CG 3.82Å; H271-F290 AromaticContact NE2-CD1 3.63Å; H271-F290 AromaticContact NE2-CG 3.67Å
272	S	98.5	Very high	96.3	Very high	74 Å²	74	67.2 Å²	67.2	52%	0.517	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	128.5	172.7	-164.4	0	0	0	0	109.7	Y261 T262	Y261-S272 WeakPolarHBondContact O-CA 3.26Å; T262-S272 PolarHBondContact OG1-OG 3.11Å
273	S	98.2	Very high	96.2	Very high	50 Å²	50	71.2 Å²	71.2	35%	0.35	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-179	178.9	-176.6	0	0	0	0	109.6	Y261 H271	Y261-S273 VanDerWaalsContact CZ-CB 3.49Å; Y261-S273 PolarHBondContact N-O 2.86Å; Y261-S273 PolarHBondContact O-N 2.9Å; Y261-S273 WeakPolarHBondContact OH-CB 3.47Å; Y261-S273 PolarHBondContact OH-OG 3.27Å; Y261-S273 VanDerWaalsContact OH-OG 3.13Å; H271-S273 WeakPolarHBondContact NE2-CB 3.4Å
274	A	97.8	Very high	96.1	Very high	30 Å²	30	72.8 Å²	72.8	25%	0.248	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.5	178.3	0	0	0	0	0	111.3	M258 L259 E260	M258-A274 HydrophobicContact CG-CB 4.21Å; M258-A274 HydrophobicContact SD-CB 4.4Å; L259-A274 CarbonylContact O-C 3.49Å; L259-A274 WeakPolarHBondContact O-CA 3.27Å; E260-A274 HydrophobicContact CG-CB 3.97Å
275	I	97.3	Very high	96	Very high	39 Å²	39	75.3 Å²	75.3	20%	0.2	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	105	160.1	-51.4	177.7	0	0	0	106.7	L259 Y261 L278 A286 F288	L259-I275 HydrophobicContact CD2-CD1 4.49Å; L259-I275 PolarHBondContact N-O 3.45Å; L259-I275 VanDerWaalsContact N-O 3.13Å; L259-I275 PolarHBondContact O-N 3.05Å; Y261-I275 HydrophobicContact CE1-CG1 4.03Å; I275-L278 HydrophobicContact CB-CD1 4.06Å; I275-L278 HydrophobicContact CB-CG 4.3Å; I275-L278 HydrophobicContact CG2-CD1 4.1Å; I275-L278 HydrophobicContact CG2-CD2 3.75Å; I275-L278 HydrophobicContact CG2-CG 3.81Å; I275-A286 HydrophobicContact CD1-CB 3.98Å; I275-F288 HydrophobicContact CD1-CB 4.37Å; I275-F288 HydrophobicContact CD1-CD1 4.33Å
276	D	92.3	Very high	96	Very high	103 Å²	103	74.4 Å²	74.4	55%	0.551	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.6	178.3	-59.8	-42.2	0	0	0	110.7
277	H	90.6	Very high	96.1	Very high	159 Å²	159	76.7 Å²	76.7	74%	0.736	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.5	56.5	170.8	-58.1	-71.6	0	0	0	115.8	V256 T257 A279	V256-H277 HydrophobicContact CG1-CB 4.33Å; T257-H277 PolarHBondContact O-N 3.48Å; H277-A279 PolarHBondContact O-N 3.12Å
278	L	94.2	Very high	96.2	Very high	19 Å²	19	70.1 Å²	70.1	10%	0.099	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	109.7	170.6	-74.1	165.1	0	0	0	111	L247 V256 T257 L259 I275 A286	L247-L278 HydrophobicContact CD1-CD1 3.79Å; V256-L278 CarbonylContact C-O 3.41Å; V256-L278 WeakPolarHBondContact CA-O 3.41Å; T257-L278 PolarHBondContact N-O 2.78Å; T257-L278 PolarHBondContact O-N 3.01Å; T257-L278 PolarHBondContact OG1-O 3.43Å; L259-L278 HydrophobicContact CB-CD1 3.58Å; I275-L278 HydrophobicContact CB-CD1 4.06Å; I275-L278 HydrophobicContact CB-CG 4.3Å; I275-L278 HydrophobicContact CG2-CD1 4.1Å; I275-L278 HydrophobicContact CG2-CD2 3.75Å; I275-L278 HydrophobicContact CG2-CG 3.81Å; L278-A286 HydrophobicContact CD1-CB 4.33Å; L278-A286 HydrophobicContact CD2-CB 3.84Å
279	A	94.2	Very high	96.2	Very high	60 Å²	60	66.4 Å²	66.4	50%	0.496	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112.9	171.1	0	0	0	0	0	110.3	V255 H277 T284	V255-A279 WeakPolarHBondContact O-CA 3.5Å; H277-A279 PolarHBondContact O-N 3.12Å; A279-T284 PolarHBondContact O-OG1 2.88Å
280	I	94.5	Very high	96.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	108.5	-178.3	-48.9	164.3	0	0	0	108.7	T221 L247 N249 P254 V255 T257	T221-I280 HydrophobicContact CG2-CD1 3.52Å; L247-I280 HydrophobicContact CB-CD1 3.8Å; L247-I280 HydrophobicContact CB-CG1 4.16Å; L247-I280 HydrophobicContact CB-CG2 4.28Å; L247-I280 HydrophobicContact CD1-CD1 4.02Å; L247-I280 HydrophobicContact CD1-CG1 4.3Å; L247-I280 HydrophobicContact CD2-CD1 4.46Å; L247-I280 HydrophobicContact CG-CD1 4.31Å; N249-I280 HydrophobicContact CB-CB 4.05Å; N249-I280 HydrophobicContact CB-CG2 3.51Å; N249-I280 PolarHBondContact ND2-O 3.03Å; P254-I280 WeakPolarHBondContact CA-O 3.32Å; V255-I280 HydrophobicContact CG2-CB 4.18Å; V255-I280 PolarHBondContact N-O 3.2Å; V255-I280 VanDerWaalsContact N-O 3.11Å; V255-I280 PolarHBondContact O-N 2.72Å; T257-I280 HydrophobicContact CG2-CD1 3.86Å; T257-I280 WeakPolarHBondContact OG1-CD1 3.35Å
281	E	91.3	Very high	96.2	Very high	137 Å²	137	66 Å²	66	64%	0.64	38%	0.381	S	S	*	.	S	Bend	trans	-85.4	-58.3	177.6	-61.2	-167.3	169.6	0	0	111.5	N249 P254	N249-E281 PolarHBondContact ND2-O 2.84Å; P254-E281 HydrophobicContact CB-CG 4.06Å; P254-E281 HydrophobicContact CG-CB 4.36Å; P254-E281 HydrophobicContact CG-CG 3.9Å
282	K	94.2	Very high	96.2	Very high	166 Å²	166	63.7 Å²	63.7	72%	0.722	37%	0.371	S	S	*	.	S	Bend	trans	-135	-84	173.1	-74.9	-172	177.4	-174.5	0	109.8	E248 N249	E248-K282 CarbonylContact C-O 3.55Å; E248-K282 WeakPolarHBondContact CA-O 3.49Å; N249-K282 PolarHBondContact N-O 3.5Å
283	L	96	Very high	96.2	Very high	106 Å²	106	67.8 Å²	67.8	56%	0.555	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.1	169.4	-70.9	169.3	0	0	0	108.7	V246 L247 E248	V246-L283 HydrophobicContact CG1-CD2 3.97Å; L247-L283 CarbonylContact O-C 3.57Å; L247-L283 WeakPolarHBondContact O-CA 3.38Å; E248-L283 HydrophobicContact CB-CD2 3.84Å; E248-L283 HydrophobicContact CG-CD2 3.98Å
284	T	97	Very high	96.2	Very high	33 Å²	33	72.7 Å²	72.7	20%	0.202	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	123	178.6	-63.2	0	0	0	0	109.3	L247 A279	L247-T284 PolarHBondContact N-O 3.31Å; L247-T284 PolarHBondContact O-N 2.77Å; A279-T284 PolarHBondContact O-OG1 2.88Å
285	S	96.6	Very high	96.2	Very high	79 Å²	79	71.7 Å²	71.7	55%	0.552	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	137.9	170.8	-59.2	0	0	0	0	110.8	V245	V245-S285 CarbonylContact O-C 3.59Å; V245-S285 WeakPolarHBondContact O-CA 3.32Å
286	A	97.3	Very high	96.2	Very high	9 Å²	9	75.3 Å²	75.3	7%	0.074	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.5	168.5	0	0	0	0	0	108.6	V245 L247 I275 L278	V245-A286 PolarHBondContact N-O 2.85Å; V245-A286 PolarHBondContact O-N 2.88Å; L247-A286 HydrophobicContact CD1-CB 4.19Å; I275-A286 HydrophobicContact CD1-CB 3.98Å; L278-A286 HydrophobicContact CD1-CB 4.33Å; L278-A286 HydrophobicContact CD2-CB 3.84Å
287	S	98	Very high	96.5	Very high	90 Å²	90	72.9 Å²	72.9	63%	0.629	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	142.4	179.4	61.1	0	0	0	0	110.8	C243	C243-S287 VanDerWaalsContact O-CA 3.31Å; C243-S287 WeakPolarHBondContact O-CA 3.35Å
288	F	98.5	Very high	96.8	Very high	11 Å²	11	65.3 Å²	65.3	5%	0.048	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.9	169.4	58	-95.9	0	0	0	110.4	L241 S242 C243 V245 L259 Y261 I275 F290 L308 M310	L241-F288 HydrophobicContact CD2-CE2 4.28Å; S242-F288 WeakPolarHBondContact CA-O 3.32Å; C243-F288 HydrophobicContact CB-CD1 4.28Å; C243-F288 HydrophobicContact CB-CD2 3.97Å; C243-F288 HydrophobicContact CB-CE1 3.74Å; C243-F288 HydrophobicContact CB-CE2 3.38Å; C243-F288 HydrophobicContact CB-CG 4.4Å; C243-F288 HydrophobicContact CB-CZ 3.27Å; C243-F288 PolarHBondContact N-O 3.46Å; C243-F288 PolarHBondContact O-N 3.43Å; V245-F288 HydrophobicContact CG2-CE1 3.93Å; L259-F288 HydrophobicContact CD2-CE1 4.34Å; Y261-F288 HydrophobicContact CD1-CB 4.4Å; Y261-F288 AromaticContact CD1-CD1 3.68Å; Y261-F288 HydrophobicContact CD1-CD1 3.68Å; Y261-F288 HydrophobicContact CD1-CD2 4.29Å; Y261-F288 AromaticContact CD1-CE1 3.9Å; Y261-F288 HydrophobicContact CD1-CE1 3.9Å; Y261-F288 HydrophobicContact CD1-CE2 4.48Å; Y261-F288 AromaticContact CD1-CG 3.88Å; Y261-F288 HydrophobicContact CD1-CG 3.88Å; Y261-F288 HydrophobicContact CD1-CZ 4.28Å; Y261-F288 HydrophobicContact CD2-CD1 4.43Å; Y261-F288 AromaticContact CD2-CD2 3.57Å; Y261-F288 HydrophobicContact CD2-CD2 3.57Å; Y261-F288 HydrophobicContact CD2-CE1 4.49Å; Y261-F288 AromaticContact CD2-CE2 3.65Å; Y261-F288 HydrophobicContact CD2-CE2 3.65Å; Y261-F288 AromaticContact CD2-CG 3.97Å; Y261-F288 HydrophobicContact CD2-CG 3.97Å; Y261-F288 HydrophobicContact CD2-CZ 4.11Å; Y261-F288 HydrophobicContact CE1-CB 3.79Å; Y261-F288 AromaticContact CE1-CD1 3.9Å; Y261-F288 HydrophobicContact CE1-CD1 3.9Å; Y261-F288 HydrophobicContact CE1-CD2 4.35Å; Y261-F288 AromaticContact CE1-CG 3.76Å; Y261-F288 HydrophobicContact CE1-CG 3.76Å; Y261-F288 HydrophobicContact CE2-CB 4.02Å; Y261-F288 AromaticContact CE2-CD2 3.62Å; Y261-F288 HydrophobicContact CE2-CD2 3.62Å; Y261-F288 HydrophobicContact CE2-CE2 4.2Å; Y261-F288 AromaticContact CE2-CG 3.84Å; Y261-F288 HydrophobicContact CE2-CG 3.84Å; Y261-F288 AromaticContact CG-CD1 3.97Å; Y261-F288 HydrophobicContact CG-CD1 3.97Å; Y261-F288 AromaticContact CG-CD2 3.91Å; Y261-F288 HydrophobicContact CG-CD2 3.91Å; Y261-F288 AromaticContact CG-CE1 3.86Å; Y261-F288 HydrophobicContact CG-CE1 3.86Å; Y261-F288 AromaticContact CG-CE2 3.81Å; Y261-F288 HydrophobicContact CG-CE2 3.81Å; Y261-F288 AromaticContact CG-CG 3.98Å; Y261-F288 HydrophobicContact CG-CG 3.98Å; Y261-F288 AromaticContact CG-CZ 3.76Å; Y261-F288 HydrophobicContact CG-CZ 3.76Å; Y261-F288 AromaticContact CZ-CG 3.73Å; I275-F288 HydrophobicContact CD1-CB 4.37Å; I275-F288 HydrophobicContact CD1-CD1 4.33Å; F288-F290 HydrophobicContact CD2-CD1 4.18Å; F288-F290 AromaticContact CD2-CE1 3.89Å; F288-F290 HydrophobicContact CD2-CE1 3.89Å; F288-F290 AromaticContact CE2-CE1 3.94Å; F288-F290 HydrophobicContact CE2-CE1 3.94Å; F288-L308 HydrophobicContact CE2-CD1 4.22Å; F288-L308 HydrophobicContact CE2-CD2 4.49Å; F288-L308 HydrophobicContact CZ-CD1 4.29Å; F288-L308 HydrophobicContact CZ-CD2 4.29Å; F288-M310 HydrophobicContact CE1-CG 4.49Å; F288-M310 HydrophobicContact CE1-SD 4.19Å; F288-M310 HydrophobicContact CZ-CG 4.25Å; F288-M310 HydrophobicContact CZ-SD 4.11Å
289	A	98.6	Very high	97	Very high	61 Å²	61	64.5 Å²	64.5	50%	0.504	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	143.2	174.2	0	0	0	0	0	110.1	T240 L241	T240-A289 HydrophobicContact CG2-CB 4.09Å; L241-A289 VanDerWaalsContact O-CA 3.23Å; L241-A289 WeakPolarHBondContact O-CA 3.32Å
290	F	98.6	Very high	97.2	Very high	17 Å²	17	61.8 Å²	61.8	8%	0.075	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	150.8	175.8	54.5	-92	0	0	0	111	L241 Y261 L263 H271 F288 V292	L241-F290 HydrophobicContact CB-CE2 4.18Å; L241-F290 HydrophobicContact CB-CZ 4.23Å; L241-F290 HydrophobicContact CD1-CE2 4.5Å; L241-F290 HydrophobicContact CD1-CZ 4.15Å; L241-F290 HydrophobicContact CD2-CE1 4.03Å; L241-F290 HydrophobicContact CD2-CZ 3.92Å; L241-F290 HydrophobicContact CG-CZ 4.33Å; L241-F290 PolarHBondContact N-O 3.35Å; L241-F290 PolarHBondContact O-N 2.97Å; Y261-F290 HydrophobicContact CD2-CD1 4.33Å; Y261-F290 AromaticContact CD2-CE1 3.89Å; Y261-F290 HydrophobicContact CD2-CE1 3.89Å; Y261-F290 AromaticContact CE2-CD1 3.9Å; Y261-F290 HydrophobicContact CE2-CD1 3.9Å; Y261-F290 AromaticContact CE2-CE1 3.95Å; Y261-F290 HydrophobicContact CE2-CE1 3.95Å; L263-F290 HydrophobicContact CB-CE2 4.16Å; L263-F290 HydrophobicContact CB-CZ 4Å; L263-F290 HydrophobicContact CD2-CE2 3.93Å; L263-F290 HydrophobicContact CD2-CZ 4.35Å; H271-F290 HydrophobicContact CB-CD2 3.7Å; H271-F290 HydrophobicContact CB-CE2 3.57Å; H271-F290 HydrophobicContact CB-CG 4.33Å; H271-F290 HydrophobicContact CB-CZ 4.11Å; H271-F290 AromaticContact CD2-CD1 3.44Å; H271-F290 VanDerWaalsContact CD2-CD1 3.44Å; H271-F290 WeakPolarHBondContact CD2-CD1 3.18Å; H271-F290 AromaticContact CD2-CD2 3.8Å; H271-F290 AromaticContact CD2-CE1 3.66Å; H271-F290 AromaticContact CD2-CE2 4Å; H271-F290 AromaticContact CD2-CG 3.51Å; H271-F290 AromaticContact CD2-CZ 3.94Å; H271-F290 AromaticContact CE1-CG 3.82Å; H271-F290 AromaticContact CG-CD2 3.49Å; H271-F290 VanDerWaalsContact CG-CD2 3.49Å; H271-F290 AromaticContact CG-CE2 3.78Å; H271-F290 AromaticContact CG-CG 3.63Å; H271-F290 AromaticContact ND1-CD2 3.86Å; H271-F290 AromaticContact ND1-CG 3.82Å; H271-F290 AromaticContact NE2-CD1 3.63Å; H271-F290 AromaticContact NE2-CG 3.67Å; F288-F290 HydrophobicContact CD2-CD1 4.18Å; F288-F290 AromaticContact CD2-CE1 3.89Å; F288-F290 HydrophobicContact CD2-CE1 3.89Å; F288-F290 AromaticContact CE2-CE1 3.94Å; F288-F290 HydrophobicContact CE2-CE1 3.94Å; F290-V292 HydrophobicContact CD2-CG2 3.98Å; F290-V292 HydrophobicContact CE2-CG2 3.77Å
291	T	98.5	Very high	97.4	Very high	90 Å²	90	63.7 Å²	63.7	55%	0.552	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	135.9	175.1	-51.2	0	0	0	0	110.4	D238 A239	D238-T291 HydrophobicContact CB-CG2 4.1Å; A239-T291 CarbonylContact O-C 3.6Å; A239-T291 WeakPolarHBondContact O-CA 3.26Å
292	V	98.6	Very high	97.6	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.03	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.1	166.6	-179.1	0	0	0	0	107.3	A239 L263 V270 F290 P295 F329	A239-V292 PolarHBondContact N-O 2.82Å; A239-V292 PolarHBondContact O-N 2.89Å; L263-V292 HydrophobicContact CD2-CG2 3.66Å; V270-V292 HydrophobicContact CG1-CG1 3.92Å; V270-V292 HydrophobicContact CG1-CG2 4.39Å; F290-V292 HydrophobicContact CD2-CG2 3.98Å; F290-V292 HydrophobicContact CE2-CG2 3.77Å; V292-P295 HydrophobicContact CG1-CB 3.9Å; V292-P295 HydrophobicContact CG1-CG 4.5Å; V292-P295 WeakPolarHBondContact O-CD 3.32Å; V292-F329 HydrophobicContact CB-CE1 4.2Å; V292-F329 HydrophobicContact CB-CZ 4.1Å; V292-F329 HydrophobicContact CG1-CZ 4.32Å; V292-F329 HydrophobicContact CG2-CE1 4.13Å; V292-F329 HydrophobicContact CG2-CZ 3.77Å
293	E	98	Very high	97.7	Very high	159 Å²	159	53.6 Å²	53.6	74%	0.743	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.9	177	-63.9	178.7	-176.5	0	0	109.9	D238	D238-E293 WeakPolarHBondContact OD1-CA 3.19Å
294	Q	97.3	Very high	97.8	Very high	154 Å²	154	52.9 Å²	52.9	72%	0.72	29%	0.293	S	S	*	.	S	Bend	trans	45.8	55.5	174.8	-59.3	-179.7	22.8	0	0	114.8	C237 D238	C237-Q294 WeakPolarHBondContact O-CA 3.27Å; C237-Q294 PolarHBondContact O-N 2.93Å; D238-Q294 PolarHBondContact OD1-N 2.86Å
295	P	98.1	Very high	97.9	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.058	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-65.8	144.8	177.7	29.6	-33.8	0	0	0	110.7	F232 A239 V292 Q297 F329	F232-P295 HydrophobicContact CE1-CG 3.78Å; F232-P295 HydrophobicContact CZ-CG 4.03Å; A239-P295 HydrophobicContact CB-CG 3.85Å; V292-P295 HydrophobicContact CG1-CB 3.9Å; V292-P295 HydrophobicContact CG1-CG 4.5Å; V292-P295 WeakPolarHBondContact O-CD 3.32Å; P295-Q297 PolarHBondContact O-N 3.12Å; P295-F329 HydrophobicContact CB-CB 4.07Å; P295-F329 HydrophobicContact CB-CD1 3.9Å; P295-F329 HydrophobicContact CB-CD2 3.74Å; P295-F329 HydrophobicContact CB-CE1 4.27Å; P295-F329 HydrophobicContact CB-CE2 4.13Å; P295-F329 HydrophobicContact CB-CG 3.62Å; P295-F329 HydrophobicContact CB-CZ 4.39Å; P295-F329 HydrophobicContact CG-CB 4.26Å; P295-F329 HydrophobicContact CG-CD1 3.94Å; P295-F329 HydrophobicContact CG-CE1 4.47Å; P295-F329 HydrophobicContact CG-CG 4.02Å
296	Q	97.9	Very high	98	Very high	115 Å²	115	49.3 Å²	49.3	54%	0.537	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-65.6	118.5	167.6	-66.7	-66.8	-18.8	0	0	108.6	Y304 Y306	Q296-Y304 HydrophobicContact CB-CD1 3.53Å; Q296-Y304 HydrophobicContact CB-CD2 4.42Å; Q296-Y304 HydrophobicContact CB-CE1 4.11Å; Q296-Y304 HydrophobicContact CB-CG 3.7Å; Q296-Y304 HydrophobicContact CG-CD1 4.16Å; Q296-Y304 HydrophobicContact CG-CE1 4.27Å; Q296-Y304 HydrophobicContact CG-CG 4.32Å; Q296-Y306 HydrophobicContact CB-CE2 4.29Å; Q296-Y306 PolarHBondContact N-OH 2.77Å
297	Q	97.8	Very high	98.1	Very high	51 Å²	51	50.8 Å²	50.8	24%	0.238	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-75.4	137.2	-177	-59.5	179.9	-0.8	0	0	110.7	F232 Y236 P295 F329	F232-Q297 HydrophobicContact CE1-CG 4.1Å; F232-Q297 HydrophobicContact CZ-CG 3.72Å; Y236-Q297 PolarHBondContact O-NE2 2.82Å; P295-Q297 PolarHBondContact O-N 3.12Å; Q297-F329 CarbonylContact C-O 3.6Å; Q297-F329 WeakPolarHBondContact CA-O 3.48Å
298	W	98.6	Very high	98.1	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-83.9	135.2	174.8	-173.3	100	0	0	0	110.4	P303 F329 N342 D400 F405 P451	W298-P303 VanDerWaalsContact CD1-C 3.46Å; W298-P303 HydrophobicContact CZ2-CB 4.44Å; W298-F329 PolarHBondContact N-O 2.93Å; W298-N342 PolarHBondContact O-ND2 3.08Å; W298-D400 PolarHBondContact NE1-O 2.8Å; W298-F405 HydrophobicContact CH2-CD1 4.2Å; W298-F405 HydrophobicContact CH2-CE1 4.42Å; W298-F405 AromaticContact CZ3-CD1 3.78Å; W298-F405 HydrophobicContact CZ3-CD1 3.78Å; W298-F405 AromaticContact CZ3-CE1 3.7Å; W298-F405 HydrophobicContact CZ3-CE1 3.7Å; W298-P451 HydrophobicContact CD2-CB 3.95Å; W298-P451 HydrophobicContact CD2-CG 4.28Å; W298-P451 HydrophobicContact CE3-CB 4.17Å; W298-P451 HydrophobicContact CG-CB 4.09Å; W298-P451 HydrophobicContact CG-CG 4.31Å; W298-P451 WeakPolarHBondContact CZ3-O 3.4Å
299	S	98.4	Very high	98.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	24%	0.24	C	C	.	.			trans	-153.6	171.3	170.5	63	0	0	0	0	110.2	E301 S302 P303	S299-E301 PolarHBondContact O-N 3.44Å; S299-E301 PolarHBondContact OG-N 2.82Å; S299-S302 PolarHBondContact N-O 3Å; S299-S302 CarbonylContact O-C 3.55Å; S299-S302 PolarHBondContact O-N 2.92Å; S299-S302 PolarHBondContact OG-N 2.87Å; S299-S302 VanDerWaalsContact OG-N 3.08Å; S299-P303 WeakPolarHBondContact O-CA 3.38Å
300	A	97.8	Very high	98.1	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	22%	0.216	C	C	.	.	S	Bend	trans	-63.3	-19.1	172.5	0	0	0	0	0	114	K377 N382 G403 F405	A300-K377 PolarHBondContact O-NZ 2.79Å; A300-N382 HydrophobicContact CB-CB 4.29Å; A300-G403 WeakPolarHBondContact CA-O 2.98Å; A300-G403 WeakPolarHBondContact CB-O 3.28Å; A300-G403 VanDerWaalsContact O-O 3.13Å; A300-F405 HydrophobicContact CB-CD1 4.44Å; A300-F405 HydrophobicContact CB-CD2 3.68Å; A300-F405 HydrophobicContact CB-CE1 4.33Å; A300-F405 HydrophobicContact CB-CE2 3.56Å; A300-F405 HydrophobicContact CB-CG 4.14Å; A300-F405 HydrophobicContact CB-CZ 3.91Å
301	E	97.6	Very high	98.1	Very high	40 Å²	40	42.8 Å²	42.8	19%	0.187	22%	0.215	C	C	.	.	S	Bend	trans	-88	-36.8	175.8	-65.2	175.8	-149.9	0	0	112.1	S299 L632 W633 F634 T635	S299-E301 PolarHBondContact O-N 3.44Å; S299-E301 PolarHBondContact OG-N 2.82Å; E301-L632 HydrophobicContact CG-CD2 4.18Å; E301-W633 PolarHBondContact OE1-N 3.15Å; E301-F634 HydrophobicContact CB-CB 4.42Å; E301-F634 HydrophobicContact CB-CD2 4.49Å; E301-F634 HydrophobicContact CG-CD2 4.23Å; E301-F634 PolarHBondContact OE1-N 2.99Å; E301-F634 WeakPolarHBondContact OE2-CA 3.44Å; E301-F634 WeakPolarHBondContact OE2-CB 3.49Å; E301-F634 PolarHBondContact OE2-N 3.01Å; E301-F634 VanDerWaalsContact OE2-N 3.1Å; E301-T635 HydrophobicContact CB-CG2 4.06Å; E301-T635 WeakPolarHBondContact OE2-CB 3.37Å; E301-T635 WeakPolarHBondContact OE2-CG2 3.4Å; E301-T635 PolarHBondContact OE2-N 3.41Å; E301-T635 PolarHBondContact OE2-OG1 2.94Å
302	S	95.8	Very high	98.1	Very high	52 Å²	52	38.5 Å²	38.5	36%	0.364	19%	0.189	S	C	.	.	S	Bend	trans	-131.6	81.7	-178.5	-64.9	0	0	0	0	110.1	S299 Y304	S299-S302 PolarHBondContact N-O 3Å; S299-S302 CarbonylContact O-C 3.55Å; S299-S302 PolarHBondContact O-N 2.92Å; S299-S302 PolarHBondContact OG-N 2.87Å; S299-S302 VanDerWaalsContact OG-N 3.08Å; S302-Y304 PolarHBondContact O-N 3.46Å
303	P	97.7	Very high	98.1	Very high	39 Å²	39	40 Å²	40	25%	0.253	20%	0.195	S	C	.	.			trans	-81.5	59.4	-174.9	32.4	-36	0	0	0	112.5	W298 S299 D400	W298-P303 VanDerWaalsContact CD1-C 3.46Å; W298-P303 HydrophobicContact CZ2-CB 4.44Å; S299-P303 WeakPolarHBondContact O-CA 3.38Å; P303-D400 WeakPolarHBondContact CB-O 3.26Å
304	Y	98	Very high	98	Very high	91 Å²	91	34.2 Å²	34.2	36%	0.357	17%	0.169	S	C	.	.			trans	-75.7	130.8	-177.7	-159.7	-92.7	0	0	0	112.1	D265 Q296 S302 Y306	D265-Y304 WeakPolarHBondContact OD1-CE1 3.4Å; D265-Y304 PolarHBondContact OD1-OH 2.8Å; Q296-Y304 HydrophobicContact CB-CD1 3.53Å; Q296-Y304 HydrophobicContact CB-CD2 4.42Å; Q296-Y304 HydrophobicContact CB-CE1 4.11Å; Q296-Y304 HydrophobicContact CB-CG 3.7Å; Q296-Y304 HydrophobicContact CG-CD1 4.16Å; Q296-Y304 HydrophobicContact CG-CE1 4.27Å; Q296-Y304 HydrophobicContact CG-CG 4.32Å; S302-Y304 PolarHBondContact O-N 3.46Å; Y304-Y306 AromaticContact CD1-CD2 3.99Å; Y304-Y306 HydrophobicContact CD1-CD2 3.99Å; Y304-Y306 AromaticContact CD1-CE2 3.58Å; Y304-Y306 HydrophobicContact CD1-CE2 3.58Å; Y304-Y306 HydrophobicContact CE1-CD2 4.18Å; Y304-Y306 HydrophobicContact CE1-CE1 4.31Å; Y304-Y306 AromaticContact CE1-CE2 3.78Å; Y304-Y306 HydrophobicContact CE1-CE2 3.78Å; Y304-Y306 AromaticContact CE1-CZ 3.84Å
305	L	98.7	Very high	97.8	Very high	31 Å²	31	30.7 Å²	30.7	16%	0.162	17%	0.166	C	C	.	.			trans	-127.8	125.2	-174.9	-65.6	168.5	0	0	0	111.1	R326 D400 I401 P451	L305-R326 HydrophobicContact CB-CB 4.42Å; L305-R326 HydrophobicContact CD1-CB 4.35Å; L305-R326 HydrophobicContact CD2-CB 4.26Å; L305-D400 HydrophobicContact CD1-CB 4.01Å; L305-D400 HydrophobicContact CD2-CB 4.26Å; L305-I401 HydrophobicContact CD1-CG1 4.07Å; L305-P451 HydrophobicContact CD2-CG 3.84Å
306	Y	98.8	Very high	97.6	Very high	6 Å²	6	36.8 Å²	36.8	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	160.1	168.6	-65.8	-102.8	0	0	0	110	L263 F264 D265 V270 Q296 Y304 R326 V327 F329	L263-Y306 HydrophobicContact CD1-CG 4.48Å; L263-Y306 HydrophobicContact CD2-CD1 4.36Å; L263-Y306 HydrophobicContact CG-CD1 4.35Å; F264-Y306 WeakPolarHBondContact O-CA 3.36Å; F264-Y306 WeakPolarHBondContact O-CB 3.2Å; D265-Y306 HydrophobicContact CB-CD1 3.89Å; D265-Y306 HydrophobicContact CB-CE1 3.72Å; V270-Y306 HydrophobicContact CG2-CD1 4.34Å; V270-Y306 HydrophobicContact CG2-CE1 4.2Å; Q296-Y306 HydrophobicContact CB-CE2 4.29Å; Q296-Y306 PolarHBondContact N-OH 2.77Å; Y304-Y306 AromaticContact CD1-CD2 3.99Å; Y304-Y306 HydrophobicContact CD1-CD2 3.99Å; Y304-Y306 AromaticContact CD1-CE2 3.58Å; Y304-Y306 HydrophobicContact CD1-CE2 3.58Å; Y304-Y306 HydrophobicContact CE1-CD2 4.18Å; Y304-Y306 HydrophobicContact CE1-CE1 4.31Å; Y304-Y306 AromaticContact CE1-CE2 3.78Å; Y304-Y306 HydrophobicContact CE1-CE2 3.78Å; Y304-Y306 AromaticContact CE1-CZ 3.84Å; Y306-R326 CarbonylContact O-C 3.51Å; Y306-R326 WeakPolarHBondContact O-CA 3.42Å; Y306-V327 PolarHBondContact N-O 3.32Å; Y306-V327 PolarHBondContact O-N 3.3Å; Y306-F329 HydrophobicContact CD1-CE2 4.44Å; Y306-F329 AromaticContact CD2-CD2 3.52Å; Y306-F329 HydrophobicContact CD2-CD2 3.52Å; Y306-F329 AromaticContact CD2-CE2 3.5Å; Y306-F329 HydrophobicContact CD2-CE2 3.5Å; Y306-F329 VanDerWaalsContact CD2-CE2 3.5Å; Y306-F329 AromaticContact CE2-CD2 3.57Å; Y306-F329 HydrophobicContact CE2-CD2 3.57Å; Y306-F329 AromaticContact CE2-CE2 3.76Å; Y306-F329 HydrophobicContact CE2-CE2 3.76Å; Y306-F329 HydrophobicContact CG-CD2 4.36Å; Y306-F329 AromaticContact CG-CE2 3.88Å; Y306-F329 HydrophobicContact CG-CE2 3.88Å
307	H	98.7	Very high	97.4	Very high	41 Å²	41	33.2 Å²	33.2	19%	0.19	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.2	172.6	-59.6	174.6	0	0	0	109.8	F45 L263 F264	F45-H307 AromaticContact CE2-CD2 3.72Å; F45-H307 AromaticContact CE2-CE1 3.62Å; F45-H307 AromaticContact CE2-CG 3.82Å; F45-H307 AromaticContact CE2-ND1 3.75Å; F45-H307 AromaticContact CE2-NE2 3.6Å; F45-H307 AromaticContact CZ-CD2 3.99Å; L263-H307 WeakPolarHBondContact CA-O 3.38Å; F264-H307 HydrophobicContact CB-CB 4.29Å; F264-H307 PolarHBondContact N-O 3.47Å; F264-H307 PolarHBondContact O-N 2.91Å
308	L	98.8	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.6	164.6	176.4	65.3	0	0	0	108	V228 L241 C243 L263 F288 M310 P324 Q325 V327	V228-L308 HydrophobicContact CG2-CD2 3.97Å; L241-L308 HydrophobicContact CD2-CD2 4.28Å; C243-L308 HydrophobicContact CB-CD2 4.5Å; L263-L308 HydrophobicContact CD1-CB 4.16Å; F288-L308 HydrophobicContact CE2-CD1 4.22Å; F288-L308 HydrophobicContact CE2-CD2 4.49Å; F288-L308 HydrophobicContact CZ-CD1 4.29Å; F288-L308 HydrophobicContact CZ-CD2 4.29Å; L308-M310 HydrophobicContact CG-CG 4.42Å; L308-P324 CarbonylContact O-C 3.58Å; L308-P324 WeakPolarHBondContact O-CA 3.46Å; L308-Q325 HydrophobicContact CB-CB 4.43Å; L308-Q325 PolarHBondContact N-O 3.46Å; L308-Q325 PolarHBondContact O-N 3.37Å; L308-V327 HydrophobicContact CB-CG2 3.72Å
309	V	98.8	Very high	97.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.5	178.6	-179	0	0	0	0	108.7	V39 R43 Y261 T262 F264 V322	V39-V309 HydrophobicContact CG1-CG1 4.31Å; V39-V309 HydrophobicContact CG2-CG1 4.16Å; R43-V309 HydrophobicContact CG-CG2 3.89Å; Y261-V309 WeakPolarHBondContact CA-O 3.36Å; T262-V309 PolarHBondContact N-O 3.43Å; T262-V309 PolarHBondContact O-N 2.92Å; F264-V309 HydrophobicContact CD2-CB 4.47Å; F264-V309 HydrophobicContact CD2-CG2 3.91Å; F264-V309 HydrophobicContact CE2-CB 4.1Å; F264-V309 HydrophobicContact CE2-CG2 3.88Å; V309-V322 HydrophobicContact CG1-CG1 3.31Å
310	M	98.8	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.2	176.9	-65.1	178.2	-67.1	0	0	109.3	I223 F226 V245 L259 E260 F288 L308 V322 V323	I223-M310 HydrophobicContact CD1-CB 3.99Å; F226-M310 HydrophobicContact CB-CE 4.17Å; F226-M310 HydrophobicContact CD1-CE 3.71Å; F226-M310 HydrophobicContact CD2-CE 3.81Å; F226-M310 HydrophobicContact CE1-CE 3.98Å; F226-M310 HydrophobicContact CE2-CE 4.09Å; F226-M310 HydrophobicContact CG-CE 3.62Å; F226-M310 HydrophobicContact CZ-CE 4.17Å; V245-M310 HydrophobicContact CG2-SD 3.68Å; L259-M310 HydrophobicContact CD1-CB 4.21Å; E260-M310 CarbonylContact O-C 3.57Å; E260-M310 WeakPolarHBondContact O-CA 3.48Å; F288-M310 HydrophobicContact CE1-CG 4.49Å; F288-M310 HydrophobicContact CE1-SD 4.19Å; F288-M310 HydrophobicContact CZ-CG 4.25Å; F288-M310 HydrophobicContact CZ-SD 4.11Å; L308-M310 HydrophobicContact CG-CG 4.42Å; M310-V322 CarbonylContact O-C 3.5Å; M310-V322 WeakPolarHBondContact O-CA 3.38Å; M310-V323 HydrophobicContact CE-CB 4.42Å; M310-V323 HydrophobicContact CE-CG1 4.09Å; M310-V323 PolarHBondContact N-O 3.17Å; M310-V323 PolarHBondContact O-N 3.16Å
311	T	98.7	Very high	97.2	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.055	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.7	-179	-58.1	0	0	0	0	109.4	E260 K313 V319 E321 V322	E260-T311 PolarHBondContact N-O 2.96Å; E260-T311 PolarHBondContact O-N 3.15Å; T311-K313 HydrophobicContact CG2-CG 4.05Å; T311-V319 HydrophobicContact CG2-CG1 4.02Å; T311-V319 HydrophobicContact CG2-CG2 3.97Å; T311-E321 WeakPolarHBondContact CA-O 3.42Å; T311-V322 HydrophobicContact CG2-CG2 4.05Å
312	L	98.4	Very high	97.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.3	174.8	-172.5	66.9	0	0	0	109.4	T221 L247 T257 L259 L320 E321	T221-L312 HydrophobicContact CG2-CD2 4.38Å; L247-L312 HydrophobicContact CD2-CD1 3.84Å; L247-L312 HydrophobicContact CD2-CD2 4.07Å; T257-L312 HydrophobicContact CG2-CD1 4.38Å; L259-L312 HydrophobicContact CD1-CD1 4.43Å; L312-L320 HydrophobicContact CD2-CD1 4.23Å; L312-L320 HydrophobicContact CG-CD1 4.26Å; L312-L320 PolarHBondContact O-N 2.75Å; L312-E321 HydrophobicContact CB-CG 4.19Å; L312-E321 PolarHBondContact N-O 3.23Å; L312-E321 PolarHBondContact O-N 3.28Å
313	K	98.3	Very high	97.4	Very high	36 Å²	36	35.1 Å²	35.1	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.8	178.6	-59	-174	-176.5	170.6	0	111.7	T257 M258 E260 T311 N318 V319	T257-K313 CarbonylContact C-O 3.58Å; T257-K313 WeakPolarHBondContact CA-O 3.39Å; T257-K313 WeakPolarHBondContact CB-O 3.31Å; M258-K313 HydrophobicContact CE-CB 4.3Å; M258-K313 HydrophobicContact CE-CD 3.69Å; M258-K313 HydrophobicContact CE-CG 4.42Å; M258-K313 PolarHBondContact N-O 2.87Å; M258-K313 PolarHBondContact O-N 3.01Å; E260-K313 VanDerWaalsContact CD-CE 3.45Å; E260-K313 WeakPolarHBondContact OE1-CE 3.31Å; E260-K313 IonicContact OE1-NZ 3.75Å; E260-K313 PolarHBondContact OE1-NZ 2.63Å; E260-K313 WeakPolarHBondContact OE2-CE 3.5Å; E260-K313 IonicContact OE2-NZ 3.94Å; E260-K313 PolarHBondContact OE2-NZ 2.64Å; T311-K313 HydrophobicContact CG2-CG 4.05Å; K313-N318 CarbonylContact C-O 3.56Å; K313-N318 WeakPolarHBondContact CA-O 3.47Å; K313-N318 WeakPolarHBondContact CB-O 3.49Å; K313-V319 HydrophobicContact CD-CG2 4.47Å; K313-V319 HydrophobicContact CG-CG2 4.28Å
314	D	95.8	Very high	97.4	Very high	37 Å²	37	33.6 Å²	33.6	20%	0.198	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	174.5	170.5	75.5	8.4	0	0	0	111.9	N316 G317 N318 L320	D314-N316 PolarHBondContact O-N 3.03Å; D314-N316 VanDerWaalsContact O-N 3.1Å; D314-N316 VanDerWaalsContact OD1-CA 3.31Å; D314-N316 WeakPolarHBondContact OD1-CA 3.39Å; D314-N316 WeakPolarHBondContact OD1-CB 3.48Å; D314-N316 PolarHBondContact OD1-N 3.35Å; D314-G317 PolarHBondContact O-N 3.28Å; D314-G317 PolarHBondContact OD1-N 3.25Å; D314-N318 PolarHBondContact N-O 3.44Å; D314-N318 PolarHBondContact OD1-N 3.24Å; D314-N318 PolarHBondContact OD1-ND2 3.18Å; D314-N318 PolarHBondContact OD2-ND2 3Å; D314-L320 HydrophobicContact CB-CD1 4.29Å; D314-L320 HydrophobicContact CB-CD2 4.27Å; D314-L320 HydrophobicContact CB-CG 4.31Å
315	A	92.6	Very high	97.4	Very high	80 Å²	80	30.1 Å²	30.1	66%	0.661	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16	177.9	0	0	0	0	0	114.7	V256	V256-A315 PolarHBondContact O-N 2.84Å
316	N	94	Very high	97.4	Very high	138 Å²	138	30.4 Å²	30.4	74%	0.738	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.7	176.3	-58.3	-52.8	0	0	0	112.3	D314	D314-N316 PolarHBondContact O-N 3.03Å; D314-N316 VanDerWaalsContact O-N 3.1Å; D314-N316 VanDerWaalsContact OD1-CA 3.31Å; D314-N316 WeakPolarHBondContact OD1-CA 3.39Å; D314-N316 WeakPolarHBondContact OD1-CB 3.48Å; D314-N316 PolarHBondContact OD1-N 3.35Å
317	G	94.3	Very high	97.4	Very high	40 Å²	40	30.3 Å²	30.3	41%	0.412	18%	0.179	S	C	.	.	S	Bend	trans	83.1	10.9	-177.3	0	0	0	0	0	114.5	D314	D314-G317 PolarHBondContact O-N 3.28Å; D314-G317 PolarHBondContact OD1-N 3.25Å
318	N	96.5	Very high	97.4	Very high	91 Å²	91	28.5 Å²	28.5	49%	0.487	17%	0.171	S	C	.	.			trans	-76	136.1	173.9	-54.6	-55.7	0	0	0	109.9	K313 D314 L320	K313-N318 CarbonylContact C-O 3.56Å; K313-N318 WeakPolarHBondContact CA-O 3.47Å; K313-N318 WeakPolarHBondContact CB-O 3.49Å; D314-N318 PolarHBondContact N-O 3.44Å; D314-N318 PolarHBondContact OD1-N 3.24Å; D314-N318 PolarHBondContact OD1-ND2 3.18Å; D314-N318 PolarHBondContact OD2-ND2 3Å; N318-L320 PolarHBondContact O-N 3.4Å
319	V	97.1	Very high	97.4	Very high	64 Å²	64	28.5 Å²	28.5	39%	0.388	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.7	174.8	177.3	0	0	0	0	109.7	T311 K313 V322	T311-V319 HydrophobicContact CG2-CG1 4.02Å; T311-V319 HydrophobicContact CG2-CG2 3.97Å; K313-V319 HydrophobicContact CD-CG2 4.47Å; K313-V319 HydrophobicContact CG-CG2 4.28Å; V319-V322 HydrophobicContact CG1-CG2 3.76Å
320	L	96.2	Very high	97.4	Very high	27 Å²	27	29 Å²	29	14%	0.141	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-42.7	172.1	-64	178.4	0	0	0	110.8	H219 T257 L312 D314 N318	H219-L320 PolarHBondContact CD2-O 3.17Å; H219-L320 VanDerWaalsContact CD2-O 3.25Å; H219-L320 PolarHBondContact NE2-O 3.43Å; T257-L320 HydrophobicContact CG2-CD1 4.26Å; L312-L320 HydrophobicContact CD2-CD1 4.23Å; L312-L320 HydrophobicContact CG-CD1 4.26Å; L312-L320 PolarHBondContact O-N 2.75Å; D314-L320 HydrophobicContact CB-CD1 4.29Å; D314-L320 HydrophobicContact CB-CD2 4.27Å; D314-L320 HydrophobicContact CB-CG 4.31Å; N318-L320 PolarHBondContact O-N 3.4Å
321	E	97.5	Very high	97.3	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.019	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	161.2	170.7	73	-167.4	132.9	0	0	111.9	S35 K218 H222 I223 T311 L312 V323	S35-E321 WeakPolarHBondContact CB-OE2 3.38Å; S35-E321 PolarHBondContact OG-OE2 2.81Å; K218-E321 IonicContact NZ-OE2 3.34Å; H222-E321 VanDerWaalsContact C-OE1 3.24Å; H222-E321 WeakPolarHBondContact CA-OE1 3.38Å; H222-E321 WeakPolarHBondContact CB-OE1 3.23Å; I223-E321 PolarHBondContact N-OE1 3.04Å; T311-E321 WeakPolarHBondContact CA-O 3.42Å; L312-E321 HydrophobicContact CB-CG 4.19Å; L312-E321 PolarHBondContact N-O 3.23Å; L312-E321 PolarHBondContact O-N 3.28Å; E321-V323 HydrophobicContact CG-CG2 4.23Å
322	V	98.6	Very high	97.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.2	170.2	-172.1	0	0	0	0	109	Y36 V39 A42 V309 M310 T311 V319	Y36-V322 WeakPolarHBondContact CD2-O 3.33Å; Y36-V322 PolarHBondContact N-O 3.46Å; Y36-V322 WeakPolarHBondContact O-CB 3.42Å; Y36-V322 PolarHBondContact O-N 2.67Å; V39-V322 HydrophobicContact CG2-CG1 4.25Å; A42-V322 HydrophobicContact CB-CB 4.14Å; A42-V322 HydrophobicContact CB-CG1 3.53Å; V309-V322 HydrophobicContact CG1-CG1 3.31Å; M310-V322 CarbonylContact O-C 3.5Å; M310-V322 WeakPolarHBondContact O-CA 3.38Å; T311-V322 HydrophobicContact CG2-CG2 4.05Å; V319-V322 HydrophobicContact CG1-CG2 3.76Å
323	V	98.5	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.2	179.6	175.5	0	0	0	0	109.8	F33 I223 F226 M310 E321	F33-V323 HydrophobicContact CB-CG1 4.17Å; F33-V323 HydrophobicContact CD2-CB 4.41Å; F33-V323 HydrophobicContact CD2-CG1 3.53Å; F33-V323 HydrophobicContact CD2-CG2 3.92Å; F33-V323 HydrophobicContact CE2-CG1 4.12Å; F33-V323 HydrophobicContact CE2-CG2 3.93Å; F33-V323 HydrophobicContact CG-CG1 3.99Å; I223-V323 HydrophobicContact CB-CG2 4.49Å; I223-V323 HydrophobicContact CD1-CB 4.19Å; I223-V323 HydrophobicContact CD1-CG2 3.98Å; F226-V323 HydrophobicContact CD1-CG1 4.39Å; F226-V323 HydrophobicContact CE1-CG1 3.7Å; F226-V323 HydrophobicContact CZ-CG1 4.31Å; M310-V323 HydrophobicContact CE-CB 4.42Å; M310-V323 HydrophobicContact CE-CG1 4.09Å; M310-V323 PolarHBondContact N-O 3.17Å; M310-V323 PolarHBondContact O-N 3.16Å; E321-V323 HydrophobicContact CG-CG2 4.23Å
324	P	98.4	Very high	97.1	Very high	8 Å²	8	34 Å²	34	5%	0.052	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	146.8	175.9	38.4	-34.9	0	0	0	111.7	Y36 A42 F45 L308	Y36-P324 HydrophobicContact CD2-CG 4.02Å; Y36-P324 HydrophobicContact CE2-CG 3.59Å; A42-P324 HydrophobicContact CB-CB 4.02Å; A42-P324 HydrophobicContact CB-CG 3.98Å; A42-P324 WeakPolarHBondContact O-CB 3.35Å; A42-P324 VanDerWaalsContact O-CG 3.24Å; A42-P324 WeakPolarHBondContact O-CG 3.36Å; F45-P324 HydrophobicContact CD1-CB 4.16Å; F45-P324 HydrophobicContact CD1-CG 4Å; F45-P324 HydrophobicContact CE1-CB 3.6Å; F45-P324 HydrophobicContact CE1-CG 3.91Å; F45-P324 HydrophobicContact CE2-CB 4.35Å; F45-P324 HydrophobicContact CZ-CB 3.72Å; F45-P324 HydrophobicContact CZ-CG 4.45Å; L308-P324 CarbonylContact O-C 3.58Å; L308-P324 WeakPolarHBondContact O-CA 3.46Å
325	Q	98.6	Very high	97	Very high	17 Å²	17	36.9 Å²	36.9	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.8	169.4	176.7	62	50.5	0	0	109.5	F226 V228 L308 V327 N449	F226-Q325 HydrophobicContact CE2-CB 3.82Å; F226-Q325 HydrophobicContact CE2-CG 3.83Å; F226-Q325 HydrophobicContact CZ-CB 3.97Å; F226-Q325 HydrophobicContact CZ-CG 4.28Å; F226-Q325 VanDerWaalsContact CZ-OE1 3.28Å; V228-Q325 HydrophobicContact CG2-CG 4.03Å; L308-Q325 HydrophobicContact CB-CB 4.43Å; L308-Q325 PolarHBondContact N-O 3.46Å; L308-Q325 PolarHBondContact O-N 3.37Å; Q325-V327 HydrophobicContact CG-CG2 4.15Å; Q325-N449 HydrophobicContact CG-CB 4.5Å; Q325-N449 PolarHBondContact NE2-O 2.81Å
326	R	98.5	Very high	97.1	Very high	37 Å²	37	41 Å²	41	14%	0.14	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.7	167.7	-61.3	-170.6	-174.3	96.7	-8.2	108.8	F45 L305 Y306 E397	F45-R326 HydrophobicContact CD1-CG 4.16Å; F45-R326 HydrophobicContact CD2-CG 4.48Å; F45-R326 HydrophobicContact CE1-CG 3.54Å; F45-R326 HydrophobicContact CE2-CG 3.91Å; F45-R326 HydrophobicContact CZ-CB 4.44Å; F45-R326 HydrophobicContact CZ-CG 3.39Å; L305-R326 HydrophobicContact CB-CB 4.42Å; L305-R326 HydrophobicContact CD1-CB 4.35Å; L305-R326 HydrophobicContact CD2-CB 4.26Å; Y306-R326 CarbonylContact O-C 3.51Å; Y306-R326 WeakPolarHBondContact O-CA 3.42Å; R326-E397 IonicContact CZ-OE2 3.99Å; R326-E397 IonicContact NH1-OE2 3.38Å; R326-E397 PolarHBondContact NH1-OE2 3.33Å
327	V	98.8	Very high	97.1	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115	-177.8	-177.7	0	0	0	0	109	V228 T230 L241 Y306 L308 Q325 F329	V228-V327 HydrophobicContact CG1-CG1 4.21Å; V228-V327 HydrophobicContact CG1-CG2 4.12Å; T230-V327 HydrophobicContact CG2-CG1 4.02Å; L241-V327 HydrophobicContact CD1-CG1 3.93Å; L241-V327 HydrophobicContact CD1-CG2 4.39Å; Y306-V327 PolarHBondContact N-O 3.32Å; Y306-V327 PolarHBondContact O-N 3.3Å; L308-V327 HydrophobicContact CB-CG2 3.72Å; Q325-V327 HydrophobicContact CG-CG2 4.15Å; V327-F329 HydrophobicContact CG1-CD2 4.44Å; V327-F329 HydrophobicContact CG1-CE2 4.19Å; V327-F329 HydrophobicContact CG1-CZ 4.46Å
328	G	98.6	Very high	97.3	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.031	18%	0.175	C	C	.	.			trans	-97.8	122.1	166	0	0	0	0	0	109.3	R330	G328-R330 WeakPolarHBondContact O-CD 3.38Å; G328-R330 PolarHBondContact O-N 3.39Å
329	F	98.8	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-76	110.9	176.4	-74.7	-94	0	0	0	109.4	T230 F232 A239 L241 L263 V292 P295 Q297 W298 Y306 V327	T230-F329 HydrophobicContact CG2-CD1 3.66Å; T230-F329 HydrophobicContact CG2-CE1 3.91Å; T230-F329 HydrophobicContact CG2-CG 4.23Å; F232-F329 HydrophobicContact CE2-CB 4.14Å; F232-F329 HydrophobicContact CZ-CB 3.84Å; A239-F329 HydrophobicContact CB-CD1 3.67Å; A239-F329 HydrophobicContact CB-CE1 4.03Å; L241-F329 HydrophobicContact CB-CE1 4.16Å; L241-F329 HydrophobicContact CB-CZ 4.3Å; L241-F329 HydrophobicContact CD1-CE1 4.48Å; L241-F329 HydrophobicContact CD1-CZ 3.93Å; L263-F329 HydrophobicContact CD2-CE2 4.29Å; L263-F329 HydrophobicContact CD2-CZ 4Å; V292-F329 HydrophobicContact CB-CE1 4.2Å; V292-F329 HydrophobicContact CB-CZ 4.1Å; V292-F329 HydrophobicContact CG1-CZ 4.32Å; V292-F329 HydrophobicContact CG2-CE1 4.13Å; V292-F329 HydrophobicContact CG2-CZ 3.77Å; P295-F329 HydrophobicContact CB-CB 4.07Å; P295-F329 HydrophobicContact CB-CD1 3.9Å; P295-F329 HydrophobicContact CB-CD2 3.74Å; P295-F329 HydrophobicContact CB-CE1 4.27Å; P295-F329 HydrophobicContact CB-CE2 4.13Å; P295-F329 HydrophobicContact CB-CG 3.62Å; P295-F329 HydrophobicContact CB-CZ 4.39Å; P295-F329 HydrophobicContact CG-CB 4.26Å; P295-F329 HydrophobicContact CG-CD1 3.94Å; P295-F329 HydrophobicContact CG-CE1 4.47Å; P295-F329 HydrophobicContact CG-CG 4.02Å; Q297-F329 CarbonylContact C-O 3.6Å; Q297-F329 WeakPolarHBondContact CA-O 3.48Å; W298-F329 PolarHBondContact N-O 2.93Å; Y306-F329 HydrophobicContact CD1-CE2 4.44Å; Y306-F329 AromaticContact CD2-CD2 3.52Å; Y306-F329 HydrophobicContact CD2-CD2 3.52Å; Y306-F329 AromaticContact CD2-CE2 3.5Å; Y306-F329 HydrophobicContact CD2-CE2 3.5Å; Y306-F329 VanDerWaalsContact CD2-CE2 3.5Å; Y306-F329 AromaticContact CE2-CD2 3.57Å; Y306-F329 HydrophobicContact CE2-CD2 3.57Å; Y306-F329 AromaticContact CE2-CE2 3.76Å; Y306-F329 HydrophobicContact CE2-CE2 3.76Å; Y306-F329 HydrophobicContact CG-CD2 4.36Å; Y306-F329 AromaticContact CG-CE2 3.88Å; Y306-F329 HydrophobicContact CG-CE2 3.88Å; V327-F329 HydrophobicContact CG1-CD2 4.44Å; V327-F329 HydrophobicContact CG1-CE2 4.19Å; V327-F329 HydrophobicContact CG1-CZ 4.46Å
330	R	98	Very high	97.3	Very high	12 Å²	12	29.6 Å²	29.6	5%	0.045	14%	0.143	C	C	.	.			trans	-148.8	153.4	179.8	81.7	-57.3	172.6	-83.8	0.7	111.8	T230 G328 N342 P451	T230-R330 PolarHBondContact OG1-N 3.05Å; T230-R330 PolarHBondContact OG1-O 2.96Å; G328-R330 WeakPolarHBondContact O-CD 3.38Å; G328-R330 PolarHBondContact O-N 3.39Å; R330-N342 WeakPolarHBondContact CA-OD1 3.07Å; R330-P451 HydrophobicContact CG-CB 4.48Å
331	D	97.6	Very high	97.3	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.043	14%	0.137	C	C	.	.			trans	-138.3	144.5	172.5	172.6	54.1	0	0	0	110.5	F232 Y236 K333 I341 N342	F232-D331 HydrophobicContact CD2-CB 3.87Å; Y236-D331 HydrophobicContact CE1-CB 4.06Å; Y236-D331 PolarHBondContact OH-OD2 3.01Å; D331-K333 WeakPolarHBondContact OD1-CE 3.34Å; D331-K333 IonicContact OD1-NZ 3.63Å; D331-K333 PolarHBondContact OD1-NZ 2.86Å; D331-K333 VanDerWaalsContact OD2-CE 3.27Å; D331-K333 WeakPolarHBondContact OD2-CE 3.44Å; D331-K333 WeakPolarHBondContact OD2-CG 3.29Å; D331-K333 IonicContact OD2-NZ 3.86Å; D331-I341 CarbonylContact O-C 3.46Å; D331-I341 WeakPolarHBondContact O-CA 3.22Å; D331-N342 PolarHBondContact N-OD1 3.03Å; D331-N342 PolarHBondContact O-N 3.07Å
332	I	97.9	Very high	97.3	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.9	-175.4	-54.4	158.3	0	0	0	107.9	W340 I341 I454 R482 L483	I332-W340 VanDerWaalsContact CA-O 3.31Å; I332-W340 WeakPolarHBondContact CA-O 2.98Å; I332-I341 HydrophobicContact CG1-CG1 4.45Å; I332-I454 HydrophobicContact CD1-CB 3.8Å; I332-I454 HydrophobicContact CD1-CG2 3.84Å; I332-I454 HydrophobicContact CG1-CG2 4.44Å; I332-R482 HydrophobicContact CD1-CG 4.06Å; I332-L483 HydrophobicContact CG2-CD1 4.14Å; I332-L483 HydrophobicContact CG2-CD2 4.2Å; I332-L483 HydrophobicContact CG2-CG 3.9Å
333	K	96.1	Very high	97.2	Very high	79 Å²	79	31.4 Å²	31.4	34%	0.343	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.1	-179.2	-61.1	-66.4	178.8	-132.4	0	110.9	D331 F339 W340	D331-K333 WeakPolarHBondContact OD1-CE 3.34Å; D331-K333 IonicContact OD1-NZ 3.63Å; D331-K333 PolarHBondContact OD1-NZ 2.86Å; D331-K333 VanDerWaalsContact OD2-CE 3.27Å; D331-K333 WeakPolarHBondContact OD2-CE 3.44Å; D331-K333 WeakPolarHBondContact OD2-CG 3.29Å; D331-K333 IonicContact OD2-NZ 3.86Å; K333-F339 CarbonylContact O-C 3.54Å; K333-F339 VanDerWaalsContact O-CA 3.29Å; K333-F339 WeakPolarHBondContact O-CA 3.49Å; K333-W340 PolarHBondContact N-O 3.48Å; K333-W340 PolarHBondContact O-N 2.8Å
334	V	96.4	Very high	97.1	Very high	58 Å²	58	36.2 Å²	36.2	35%	0.352	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.1	163.4	177.9	0	0	0	0	108.9	L338 F339 L483 P519	V334-L338 CarbonylContact C-O 3.57Å; V334-L338 VanDerWaalsContact CA-O 3.26Å; V334-L338 WeakPolarHBondContact CA-O 3.31Å; V334-F339 HydrophobicContact CG2-CB 4.08Å; V334-L483 HydrophobicContact CG2-CD1 4.14Å; V334-L483 HydrophobicContact CG2-CD2 3.51Å; V334-L483 HydrophobicContact CG2-CG 4.5Å; V334-P519 HydrophobicContact CG1-CG 4.46Å; V334-P519 HydrophobicContact CG2-CG 4.24Å
335	R	94.6	Very high	97	Very high	98 Å²	98	37 Å²	37	37%	0.37	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.4	173.9	-64.6	178	-64.2	-168.2	0	108.6	G337 L338 N343	R335-G337 VanDerWaalsContact C-N 3.26Å; R335-G337 PolarHBondContact O-N 2.79Å; R335-L338 PolarHBondContact N-O 3Å; R335-L338 PolarHBondContact O-N 2.85Å; R335-L338 VanDerWaalsContact O-O 3.07Å; R335-N343 VanDerWaalsContact CZ-OD1 3.32Å; R335-N343 PolarHBondContact NH1-OD1 3.31Å; R335-N343 PolarHBondContact NH2-OD1 2.97Å
336	D	94.1	Very high	96.9	Very high	166 Å²	166	36.1 Å²	36.1	89%	0.888	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	40.5	174.7	-53.4	-44.1	0	0	0	114	L338	D336-L338 VanDerWaalsContact C-N 3.25Å; D336-L338 PolarHBondContact O-N 3.39Å
337	G	94.9	Very high	96.8	Very high	7 Å²	7	34.6 Å²	34.6	7%	0.072	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	7.9	-179.3	0	0	0	0	0	115.3	R335 P517 K518 P519	R335-G337 VanDerWaalsContact C-N 3.26Å; R335-G337 PolarHBondContact O-N 2.79Å; G337-P517 VanDerWaalsContact CA-O 3.29Å; G337-P517 WeakPolarHBondContact CA-O 3.29Å; G337-K518 CarbonylContact O-C 3.53Å; G337-P519 WeakPolarHBondContact O-CA 3.39Å; G337-P519 VanDerWaalsContact O-N 3.08Å
338	L	97.5	Very high	96.8	Very high	30 Å²	30	34.4 Å²	34.4	16%	0.157	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.2	177.2	-57.9	178.3	0	0	0	110.7	V334 R335 D336 W340 D547 C548 Q550	V334-L338 CarbonylContact C-O 3.57Å; V334-L338 VanDerWaalsContact CA-O 3.26Å; V334-L338 WeakPolarHBondContact CA-O 3.31Å; R335-L338 PolarHBondContact N-O 3Å; R335-L338 PolarHBondContact O-N 2.85Å; R335-L338 VanDerWaalsContact O-O 3.07Å; D336-L338 VanDerWaalsContact C-N 3.25Å; D336-L338 PolarHBondContact O-N 3.39Å; L338-W340 HydrophobicContact CB-CZ2 4.27Å; L338-W340 HydrophobicContact CD1-CZ2 4Å; L338-W340 VanDerWaalsContact O-CD1 3.26Å; L338-W340 PolarHBondContact O-NE1 3.36Å; L338-D547 HydrophobicContact CD2-CB 4.25Å; L338-D547 VanDerWaalsContact CD2-O 3.27Å; L338-D547 WeakPolarHBondContact CD2-O 3.33Å; L338-C548 HydrophobicContact CD2-CB 4.44Å; L338-Q550 HydrophobicContact CD2-CG 4.43Å
339	F	95.9	Very high	96.8	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	146.4	166.9	86	-90.5	0	0	0	112.3	K333 V334 I341 V346 L348 L483 P519 I521 Q550	K333-F339 CarbonylContact O-C 3.54Å; K333-F339 VanDerWaalsContact O-CA 3.29Å; K333-F339 WeakPolarHBondContact O-CA 3.49Å; V334-F339 HydrophobicContact CG2-CB 4.08Å; F339-I341 HydrophobicContact CD2-CG1 4.31Å; F339-I341 HydrophobicContact CE2-CD1 4.09Å; F339-I341 HydrophobicContact CE2-CG1 4.15Å; F339-V346 HydrophobicContact CD2-CG2 4.18Å; F339-V346 HydrophobicContact CE2-CG2 3.26Å; F339-V346 HydrophobicContact CZ-CG2 3.49Å; F339-V346 VanDerWaalsContact CZ-CG2 3.49Å; F339-L348 HydrophobicContact CZ-CD1 4.09Å; F339-L348 HydrophobicContact CZ-CD2 4.03Å; F339-L348 HydrophobicContact CZ-CG 3.89Å; F339-L483 HydrophobicContact CB-CD1 3.65Å; F339-L483 HydrophobicContact CD2-CD1 4.29Å; F339-L483 HydrophobicContact CG-CD1 4.02Å; F339-P519 HydrophobicContact CB-CB 4.44Å; F339-P519 HydrophobicContact CB-CG 4.23Å; F339-P519 HydrophobicContact CD1-CB 4.04Å; F339-I521 HydrophobicContact CD1-CD1 3.98Å; F339-I521 HydrophobicContact CE1-CD1 3.4Å; F339-I521 HydrophobicContact CE1-CG1 3.96Å; F339-I521 HydrophobicContact CZ-CD1 4Å; F339-Q550 HydrophobicContact CD1-CB 3.81Å; F339-Q550 VanDerWaalsContact CD1-CD 3.45Å; F339-Q550 HydrophobicContact CD1-CG 4.24Å; F339-Q550 VanDerWaalsContact CD1-OE1 3.26Å; F339-Q550 HydrophobicContact CE1-CB 3.29Å; F339-Q550 HydrophobicContact CE1-CG 4.14Å; F339-Q550 HydrophobicContact CZ-CB 4.22Å; F339-Q550 PolarHBondContact O-NE2 3.08Å
340	W	97.4	Very high	96.8	Very high	56 Å²	56	34.5 Å²	34.5	21%	0.212	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.9	-173.4	-57.4	80.2	0	0	0	108.8	I332 K333 L338 R344 Y345	I332-W340 VanDerWaalsContact CA-O 3.31Å; I332-W340 WeakPolarHBondContact CA-O 2.98Å; K333-W340 PolarHBondContact N-O 3.48Å; K333-W340 PolarHBondContact O-N 2.8Å; L338-W340 HydrophobicContact CB-CZ2 4.27Å; L338-W340 HydrophobicContact CD1-CZ2 4Å; L338-W340 VanDerWaalsContact O-CD1 3.26Å; L338-W340 PolarHBondContact O-NE1 3.36Å; W340-R344 WeakPolarHBondContact CA-O 3.48Å; W340-Y345 VanDerWaalsContact CZ3-N 3.3Å
341	I	97.8	Very high	96.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.4	169.3	-59.4	178.8	0	0	0	107.2	D331 I332 F339 N343 R344 V346 F405 I454 F634	D331-I341 CarbonylContact O-C 3.46Å; D331-I341 WeakPolarHBondContact O-CA 3.22Å; I332-I341 HydrophobicContact CG1-CG1 4.45Å; F339-I341 HydrophobicContact CD2-CG1 4.31Å; F339-I341 HydrophobicContact CE2-CD1 4.09Å; F339-I341 HydrophobicContact CE2-CG1 4.15Å; I341-N343 VanDerWaalsContact C-N 3.27Å; I341-N343 PolarHBondContact O-N 3.29Å; I341-R344 PolarHBondContact N-O 3.19Å; I341-R344 WeakPolarHBondContact O-CB 3.21Å; I341-R344 PolarHBondContact O-N 3.27Å; I341-V346 HydrophobicContact CB-CG1 4.42Å; I341-V346 HydrophobicContact CD1-CG2 4Å; I341-V346 HydrophobicContact CG1-CG2 4.23Å; I341-F405 HydrophobicContact CD1-CD1 3.92Å; I341-F405 HydrophobicContact CD1-CE1 3.52Å; I341-F405 HydrophobicContact CD1-CE2 4.2Å; I341-F405 HydrophobicContact CD1-CG 4.42Å; I341-F405 HydrophobicContact CD1-CZ 3.68Å; I341-F405 HydrophobicContact CG2-CE1 4.26Å; I341-F405 HydrophobicContact CG2-CZ 4.45Å; I341-I454 HydrophobicContact CD1-CD1 3.94Å; I341-I454 HydrophobicContact CD1-CG2 3.99Å; I341-F634 HydrophobicContact CB-CZ 4.07Å; I341-F634 HydrophobicContact CG2-CZ 4.07Å; I341-F634 WeakPolarHBondContact O-CE1 3.34Å
342	N	97.1	Very high	96.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.3	-175.9	-48.6	-27.9	0	0	0	113	W298 R330 D331 R344 F634	W298-N342 PolarHBondContact O-ND2 3.08Å; R330-N342 WeakPolarHBondContact CA-OD1 3.07Å; D331-N342 PolarHBondContact N-OD1 3.03Å; D331-N342 PolarHBondContact O-N 3.07Å; N342-R344 PolarHBondContact O-N 3.1Å; N342-F634 HydrophobicContact CB-CE1 4.22Å
343	N	96.2	Very high	96.9	Very high	64 Å²	64	33.3 Å²	33.3	34%	0.342	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	17.4	-175.9	-151.3	22.4	0	0	0	115.4	Y236 R335 I341	Y236-N343 HydrophobicContact CD1-CB 4.01Å; Y236-N343 HydrophobicContact CD2-CB 3.56Å; Y236-N343 HydrophobicContact CE1-CB 3.91Å; Y236-N343 HydrophobicContact CE2-CB 3.45Å; Y236-N343 VanDerWaalsContact CE2-CB 3.45Å; Y236-N343 HydrophobicContact CG-CB 3.84Å; R335-N343 VanDerWaalsContact CZ-OD1 3.32Å; R335-N343 PolarHBondContact NH1-OD1 3.31Å; R335-N343 PolarHBondContact NH2-OD1 2.97Å; I341-N343 VanDerWaalsContact C-N 3.27Å; I341-N343 PolarHBondContact O-N 3.29Å
344	R	96.1	Very high	96.9	Very high	102 Å²	102	29.8 Å²	29.8	39%	0.385	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140	178.3	-54.4	-160.2	-178.2	-136.8	-3.5	111.7	W340 I341 N342 W633 F634	W340-R344 WeakPolarHBondContact CA-O 3.48Å; I341-R344 PolarHBondContact N-O 3.19Å; I341-R344 WeakPolarHBondContact O-CB 3.21Å; I341-R344 PolarHBondContact O-N 3.27Å; N342-R344 PolarHBondContact O-N 3.1Å; R344-W633 WeakPolarHBondContact CD-O 3.24Å; R344-W633 PolarHBondContact NH1-O 2.79Å; R344-W633 VanDerWaalsContact NH1-O 3.1Å; R344-F634 HydrophobicContact CB-CD1 4.46Å; R344-F634 HydrophobicContact CB-CE1 3.94Å; R344-F634 HydrophobicContact CB-CZ 4.38Å; R344-F634 HydrophobicContact CG-CD1 4.3Å; R344-F634 HydrophobicContact CG-CE1 4.11Å
345	Y	95.7	Very high	96.9	Very high	23 Å²	23	27.2 Å²	27.2	9%	0.09	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	143.3	167.3	173.7	-90.6	0	0	0	108.4	W340 M347 D547 Q550 W633	W340-Y345 VanDerWaalsContact CZ3-N 3.3Å; Y345-M347 WeakPolarHBondContact OH-CE 3.42Å; Y345-D547 HydrophobicContact CE2-CB 4.01Å; Y345-D547 WeakPolarHBondContact CE2-O 3.27Å; Y345-D547 PolarHBondContact OH-O 2.85Å; Y345-Q550 HydrophobicContact CD2-CG 4.48Å; Y345-Q550 HydrophobicContact CE2-CG 3.59Å; Y345-W633 AromaticContact CD1-CD1 3.72Å; Y345-W633 AromaticContact CD1-NE1 3.56Å; Y345-W633 AromaticContact CE1-NE1 3.74Å; Y345-W633 VanDerWaalsContact O-CB 3.23Å; Y345-W633 WeakPolarHBondContact O-CB 3.31Å
346	V	96.4	Very high	97	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.			trans	-140.3	157.5	173.1	-60.2	0	0	0	0	110.2	F339 I341 L348 Q550 W633 F634	F339-V346 HydrophobicContact CD2-CG2 4.18Å; F339-V346 HydrophobicContact CE2-CG2 3.26Å; F339-V346 HydrophobicContact CZ-CG2 3.49Å; F339-V346 VanDerWaalsContact CZ-CG2 3.49Å; I341-V346 HydrophobicContact CB-CG1 4.42Å; I341-V346 HydrophobicContact CD1-CG2 4Å; I341-V346 HydrophobicContact CG1-CG2 4.23Å; V346-L348 HydrophobicContact CG2-CD2 4.45Å; V346-Q550 PolarHBondContact O-NE2 3.26Å; V346-W633 HydrophobicContact CB-CD2 4.36Å; V346-W633 HydrophobicContact CB-CG 4.41Å; V346-W633 HydrophobicContact CG1-CB 4.05Å; V346-W633 HydrophobicContact CG1-CG 4.23Å; V346-F634 HydrophobicContact CG1-CE2 3.53Å; V346-F634 HydrophobicContact CG1-CZ 3.51Å
347	M	97.6	Very high	97.1	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.02	7%	0.069	C	C	.	.			trans	-120.4	128.9	165.8	-169	175	-75.3	0	0	109.1	Y345 N382 F543 Y544 Q550 W633	Y345-M347 WeakPolarHBondContact OH-CE 3.42Å; M347-N382 PolarHBondContact O-ND2 3.46Å; M347-F543 HydrophobicContact CE-CB 4.06Å; M347-F543 VanDerWaalsContact CE-O 3.27Å; M347-F543 WeakPolarHBondContact CE-O 3.39Å; M347-F543 HydrophobicContact SD-CB 4Å; M347-Y544 HydrophobicContact CE-CD1 3.88Å; M347-Y544 HydrophobicContact CE-CE1 4.34Å; M347-Y544 HydrophobicContact SD-CD1 3.83Å; M347-Y544 HydrophobicContact SD-CE1 3.74Å; M347-Q550 CarbonylContact C-O 3.5Å; M347-Q550 VanDerWaalsContact CA-O 3.29Å; M347-Q550 WeakPolarHBondContact CA-O 3.25Å; M347-W633 HydrophobicContact CB-CH2 3.78Å; M347-W633 HydrophobicContact CB-CZ2 3.35Å; M347-W633 WeakPolarHBondContact O-CH2 3.38Å; M347-W633 WeakPolarHBondContact O-CZ3 3.25Å
348	L	98.4	Very high	97.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	123.2	175.7	-50.1	-176.4	0	0	0	109.3	F339 V346 N382 F405 I454 I455 I521 Q550 G551 H552 Y553	F339-L348 HydrophobicContact CZ-CD1 4.09Å; F339-L348 HydrophobicContact CZ-CD2 4.03Å; F339-L348 HydrophobicContact CZ-CG 3.89Å; V346-L348 HydrophobicContact CG2-CD2 4.45Å; L348-N382 WeakPolarHBondContact CA-OD1 3.11Å; L348-F405 HydrophobicContact CD2-CB 4.32Å; L348-F405 HydrophobicContact CD2-CD2 3.88Å; L348-F405 HydrophobicContact CD2-CG 4.37Å; L348-I454 HydrophobicContact CD1-CD1 4.07Å; L348-I454 HydrophobicContact CD2-CD1 3.97Å; L348-I455 HydrophobicContact CD1-CD1 4.03Å; L348-I521 HydrophobicContact CD1-CD1 3.81Å; L348-I521 HydrophobicContact CD1-CG2 4.16Å; L348-Q550 PolarHBondContact N-O 3.04Å; L348-G551 CarbonylContact O-C 2.88Å; L348-G551 WeakPolarHBondContact O-CA 3.13Å; L348-H552 PolarHBondContact O-N 2.88Å; L348-Y553 HydrophobicContact CD1-CE2 4.41Å; L348-Y553 WeakPolarHBondContact CD1-OH 3.08Å
349	H	98.6	Very high	97.2	Very high	5 Å²	5	20.4 Å²	20.4	2%	0.023	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	90	169.6	-59.5	142.5	0	0	0	106.6	I381 N382 S383 Q540 H552 I611 W633	H349-I381 WeakPolarHBondContact O-CG2 3.47Å; H349-N382 PolarHBondContact N-OD1 2.85Å; H349-N382 PolarHBondContact O-N 3.34Å; H349-N382 PolarHBondContact O-OD1 3.44Å; H349-S383 PolarHBondContact O-N 3.1Å; H349-Q540 PolarHBondContact NE2-NE2 2.96Å; H349-H552 AromaticContact CD2-CE1 3.69Å; H349-H552 AromaticContact CD2-NE2 3.42Å; H349-H552 PolarHBondContact CD2-NE2 3.17Å; H349-I611 HydrophobicContact CB-CB 4.14Å; H349-I611 HydrophobicContact CB-CD1 3.91Å; H349-I611 HydrophobicContact CB-CG1 4.49Å; H349-I611 HydrophobicContact CB-CG2 4.2Å; H349-W633 AromaticContact CE1-CH2 3.65Å; H349-W633 AromaticContact ND1-CH2 3.96Å
350	G	98.6	Very high	97.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	170.9	-165.6	0	0	0	0	0	115.1	S383 H552 Y553 V554 Y607	G350-S383 VanDerWaalsContact CA-O 3.22Å; G350-S383 WeakPolarHBondContact CA-O 3.08Å; G350-H552 WeakPolarHBondContact CA-O 3.43Å; G350-H552 PolarHBondContact N-O 3.35Å; G350-Y553 WeakPolarHBondContact O-CA 3.22Å; G350-V554 PolarHBondContact O-N 3.09Å; G350-Y607 PolarHBondContact N-OH 2.92Å; G350-Y607 PolarHBondContact O-OH 3.47Å
351	V	98.9	Very high	97.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.9	169.4	-63.9	0	0	0	0	109.7	M376 I381 S383 V384 R385 V554 W557 L593 Y607	V351-M376 HydrophobicContact CG2-CE 3.62Å; V351-M376 HydrophobicContact CG2-CG 4.24Å; V351-M376 HydrophobicContact CG2-SD 3.98Å; V351-I381 HydrophobicContact CG1-CD1 3.6Å; V351-I381 HydrophobicContact CG1-CG1 4.22Å; V351-I381 HydrophobicContact CG1-CG2 4.5Å; V351-I381 HydrophobicContact CG2-CD1 4.47Å; V351-I381 HydrophobicContact CG2-CG2 4.24Å; V351-S383 PolarHBondContact N-O 3.02Å; V351-V384 WeakPolarHBondContact O-CA 3.49Å; V351-R385 PolarHBondContact O-N 3.48Å; V351-V554 HydrophobicContact CG1-CB 4.49Å; V351-W557 HydrophobicContact CB-CB 4.49Å; V351-W557 HydrophobicContact CB-CE3 4.3Å; V351-W557 HydrophobicContact CG1-CE3 4.19Å; V351-W557 HydrophobicContact CG2-CB 4.37Å; V351-W557 HydrophobicContact CG2-CD2 4.38Å; V351-W557 HydrophobicContact CG2-CE3 3.91Å; V351-L593 HydrophobicContact CG1-CD1 3.68Å; V351-Y607 HydrophobicContact CG1-CD1 4.49Å; V351-Y607 HydrophobicContact CG1-CE1 3.91Å
352	N	98.7	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.3	168.4	-67.4	-66.6	0	0	0	109.4	R385 A387 C523 V554 W555 E556 W557	N352-R385 WeakPolarHBondContact OD1-CB 3.46Å; N352-R385 WeakPolarHBondContact OD1-CD 3.35Å; N352-R385 WeakPolarHBondContact OD1-CG 3.42Å; N352-R385 PolarHBondContact OD1-NH1 3.32Å; N352-A387 HydrophobicContact CB-CB 4.01Å; N352-C523 PolarHBondContact ND2-O 3.19Å; N352-C523 PolarHBondContact OD1-O 3.05Å; N352-V554 PolarHBondContact N-O 3.4Å; N352-V554 PolarHBondContact ND2-O 2.98Å; N352-V554 VanDerWaalsContact ND2-O 3.11Å; N352-W555 HydrophobicContact CB-CE3 3.5Å; N352-W555 VanDerWaalsContact CB-CE3 3.5Å; N352-W555 HydrophobicContact CB-CZ3 3.76Å; N352-E556 HydrophobicContact CB-CB 4.12Å; N352-W557 WeakPolarHBondContact O-CB 3.38Å; N352-W557 PolarHBondContact O-N 3.29Å
353	R	98.1	Very high	97.2	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	10%	0.101	C	C	.	.			trans	-132.4	115.2	-177.9	-179.6	-170.8	-176.2	-77.8	-13	111.6	D355 D372 M376 V384 R385 A387 N391 W557	R353-D355 IonicContact CZ-OD1 3.49Å; R353-D355 IonicContact NH1-OD1 3.15Å; R353-D355 PolarHBondContact NH1-OD1 2.64Å; R353-D355 IonicContact NH2-OD1 2.91Å; R353-D372 IonicContact CZ-OD2 2.83Å; R353-D372 IonicContact NE-OD2 2.97Å; R353-D372 PolarHBondContact NE-OD2 2.65Å; R353-D372 IonicContact NH2-OD2 3.81Å; R353-D372 PolarHBondContact NH2-OD2 2.75Å; R353-M376 HydrophobicContact CB-CE 4.42Å; R353-M376 HydrophobicContact CG-CE 4.48Å; R353-V384 HydrophobicContact CB-CG2 3.74Å; R353-R385 PolarHBondContact N-O 3.02Å; R353-A387 PolarHBondContact O-N 2.93Å; R353-N391 PolarHBondContact NH1-OD1 3.09Å; R353-W557 HydrophobicContact CB-CB 4.32Å
354	H	96.9	Very high	97.2	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.023	9%	0.09	C	C	.	.			trans	-81.1	157.2	156.6	-88	-74.5	0	0	0	113.7	N356 A387 H388 Y389 W555 E556 H560	H354-N356 PolarHBondContact O-N 3.35Å; H354-A387 PolarHBondContact CE1-O 3.49Å; H354-A387 VanDerWaalsContact CE1-O 3.28Å; H354-A387 PolarHBondContact ND1-O 3.3Å; H354-H388 AromaticContact NE2-CD2 3.7Å; H354-Y389 AromaticContact CE1-CE1 3.66Å; H354-Y389 AromaticContact ND1-CE1 3.44Å; H354-Y389 WeakPolarHBondContact ND1-CE1 3.45Å; H354-Y389 AromaticContact ND1-CZ 3.52Å; H354-Y389 PolarHBondContact ND1-OH 3.23Å; H354-W555 AromaticContact CD2-CH2 3.68Å; H354-W555 AromaticContact NE2-CH2 3.56Å; H354-E556 IonicContact CD2-OE1 3.85Å; H354-E556 IonicContact CD2-OE2 3.89Å; H354-E556 PolarHBondContact CD2-OE2 2.94Å; H354-E556 PolarHBondContact N-OE2 2.97Å; H354-H560 WeakPolarHBondContact CB-CE1 3.28Å; H354-H560 VanDerWaalsContact CB-NE2 3.28Å; H354-H560 WeakPolarHBondContact CB-NE2 3.35Å; H354-H560 AromaticContact CD2-CE1 3.72Å; H354-H560 AromaticContact CG-CE1 3.62Å
355	D	95.7	Very high	97.2	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.027	8%	0.081	C	C	.	.			trans	-77.5	102.5	165.7	-81.3	-38.7	0	0	0	109.1	R211 R353 R362 V364 Y389	R211-D355 IonicContact CZ-OD2 3.37Å; R211-D355 IonicContact NE-OD2 2.92Å; R211-D355 IonicContact NH2-OD2 2.71Å; R211-D355 PolarHBondContact NH2-OD2 2.78Å; R353-D355 IonicContact CZ-OD1 3.49Å; R353-D355 IonicContact NH1-OD1 3.15Å; R353-D355 PolarHBondContact NH1-OD1 2.64Å; R353-D355 IonicContact NH2-OD1 2.91Å; D355-R362 VanDerWaalsContact O-CG 3.31Å; D355-R362 WeakPolarHBondContact O-CG 3.29Å; D355-V364 HydrophobicContact CB-CG2 3.84Å; D355-Y389 HydrophobicContact CB-CE2 4.39Å; D355-Y389 PolarHBondContact N-OH 3.44Å
356	N	95.6	Very high	97.3	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.037	9%	0.085	C	C	.	.			trans	-134.4	135.9	176.2	179.6	55.1	0	0	0	114.3	H354 R368 D559 H560	H354-N356 PolarHBondContact O-N 3.35Å; N356-R368 PolarHBondContact O-NE 2.75Å; N356-R368 PolarHBondContact O-NH2 2.94Å; N356-D559 PolarHBondContact ND2-O 2.72Å; N356-H560 WeakPolarHBondContact CB-CD2 3.23Å; N356-H560 VanDerWaalsContact CG-CD2 3.4Å
357	D	97.6	Very high	97.4	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.032	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-132	118.7	168.8	-178	-51.9	0	0	0	108.8	R359 K360 G361 V364	D357-R359 PolarHBondContact O-N 3.07Å; D357-R359 WeakPolarHBondContact OD1-CA 3.49Å; D357-R359 WeakPolarHBondContact OD1-CB 3.04Å; D357-R359 PolarHBondContact OD1-N 3.26Å; D357-K360 HydrophobicContact CB-CB 4.05Å; D357-K360 PolarHBondContact O-N 3.47Å; D357-K360 PolarHBondContact OD1-N 3.36Å; D357-K360 VanDerWaalsContact OD1-N 3.13Å; D357-G361 WeakPolarHBondContact CB-O 3.19Å; D357-G361 PolarHBondContact N-O 2.69Å; D357-G361 WeakPolarHBondContact O-CA 3.49Å; D357-G361 PolarHBondContact O-N 3.11Å; D357-V364 HydrophobicContact CB-CG2 4.3Å
358	H	97.5	Very high	97.4	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.023	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-11.2	-176.6	60.4	-99.2	0	0	0	115.2	G561 Q563 Y573 S596 D597	H358-G561 WeakPolarHBondContact CB-O 3.39Å; H358-Q563 HydrophobicContact CB-CB 4.23Å; H358-Q563 PolarHBondContact CD2-OE1 2.86Å; H358-Q563 VanDerWaalsContact CD2-OE1 3.26Å; H358-Q563 PolarHBondContact NE2-OE1 2.64Å; H358-Q563 WeakPolarHBondContact O-CB 3.09Å; H358-Q563 PolarHBondContact O-N 3.42Å; H358-Y573 HydrophobicContact CB-CD1 4.32Å; H358-Y573 HydrophobicContact CB-CE1 3.9Å; H358-S596 PolarHBondContact ND1-O 2.64Å; H358-D597 WeakPolarHBondContact ND1-CA 3.36Å
359	R	97.1	Very high	97.4	Very high	140 Å²	140	24.3 Å²	24.3	53%	0.528	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-20.8	174.4	-58.5	178.6	-67.7	-104.9	-2.7	113.4	M94 D357	M94-R359 VanDerWaalsContact CE-C 3.42Å; M94-R359 VanDerWaalsContact CE-O 3.28Å; M94-R359 WeakPolarHBondContact CE-O 3.48Å; D357-R359 PolarHBondContact O-N 3.07Å; D357-R359 WeakPolarHBondContact OD1-CA 3.49Å; D357-R359 WeakPolarHBondContact OD1-CB 3.04Å; D357-R359 PolarHBondContact OD1-N 3.26Å
360	K	97.1	Very high	97.3	Very high	105 Å²	105	27.5 Å²	27.5	46%	0.457	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	2.4	-171.2	-61.1	-178.8	178.6	177.3	0	113.9	M91 D357 R362 A363	M91-K360 WeakPolarHBondContact CG-O 3.49Å; D357-K360 HydrophobicContact CB-CB 4.05Å; D357-K360 PolarHBondContact O-N 3.47Å; D357-K360 PolarHBondContact OD1-N 3.36Å; D357-K360 VanDerWaalsContact OD1-N 3.13Å; K360-R362 PolarHBondContact O-N 2.93Å; K360-A363 HydrophobicContact CB-CB 4.2Å; K360-A363 WeakPolarHBondContact CB-O 3.28Å; K360-A363 WeakPolarHBondContact CD-O 3.31Å; K360-A363 PolarHBondContact O-N 2.85Å
361	G	96.2	Very high	97.3	Very high	8 Å²	8	31.2 Å²	31.2	8%	0.082	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	58.1	-127.2	-171.3	0	0	0	0	0	109.8	D357 A363	D357-G361 WeakPolarHBondContact CB-O 3.19Å; D357-G361 PolarHBondContact N-O 2.69Å; D357-G361 WeakPolarHBondContact O-CA 3.49Å; D357-G361 PolarHBondContact O-N 3.11Å; G361-A363 VanDerWaalsContact C-N 3.28Å; G361-A363 PolarHBondContact O-N 2.88Å
362	R	95.8	Very high	97.3	Very high	10 Å²	10	31.4 Å²	31.4	4%	0.038	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.3	-175.7	-57.2	-172.8	-75.4	97.5	9	114.6	M91 E148 M203 S206 F210 D355 K360 V364	M91-R362 HydrophobicContact SD-CB 4.18Å; E148-R362 IonicContact OE1-CZ 3.68Å; E148-R362 IonicContact OE1-NH2 4Å; E148-R362 PolarHBondContact OE1-NH2 2.86Å; E148-R362 VanDerWaalsContact OE1-NH2 3.08Å; E148-R362 IonicContact OE2-CZ 2.63Å; E148-R362 IonicContact OE2-NH1 3.24Å; E148-R362 PolarHBondContact OE2-NH1 3.24Å; E148-R362 IonicContact OE2-NH2 3.25Å; E148-R362 PolarHBondContact OE2-NH2 2.62Å; M203-R362 VanDerWaalsContact SD-CD 3.57Å; S206-R362 PolarHBondContact O-NH2 3.27Å; S206-R362 PolarHBondContact OG-NE 3.21Å; S206-R362 PolarHBondContact OG-NH2 2.92Å; S206-R362 VanDerWaalsContact OG-NH2 3.17Å; F210-R362 HydrophobicContact CD2-CB 4.3Å; D355-R362 VanDerWaalsContact O-CG 3.31Å; D355-R362 WeakPolarHBondContact O-CG 3.29Å; K360-R362 PolarHBondContact O-N 2.93Å; R362-V364 PolarHBondContact O-N 3.36Å
363	A	97.6	Very high	97.3	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	15%	0.151	C	C	.	.			trans	-80.9	66.4	171.7	0	0	0	0	0	111.6	P89 F210 K360 G361	P89-A363 HydrophobicContact CB-CB 4.06Å; F210-A363 HydrophobicContact CB-CB 4.4Å; F210-A363 WeakPolarHBondContact O-CA 3.46Å; K360-A363 HydrophobicContact CB-CB 4.2Å; K360-A363 WeakPolarHBondContact CB-O 3.28Å; K360-A363 WeakPolarHBondContact CD-O 3.31Å; K360-A363 PolarHBondContact O-N 2.85Å; G361-A363 VanDerWaalsContact C-N 3.28Å; G361-A363 PolarHBondContact O-N 2.88Å
364	V	97.7	Very high	97.4	Very high	18 Å²	18	33.5 Å²	33.5	11%	0.109	16%	0.161	C	C	.	.			trans	-79.4	130.1	-172.4	-171.5	0	0	0	0	111.6	D355 D357 R362 R368 V369	D355-V364 HydrophobicContact CB-CG2 3.84Å; D357-V364 HydrophobicContact CB-CG2 4.3Å; R362-V364 PolarHBondContact O-N 3.36Å; V364-R368 HydrophobicContact CG1-CB 3.99Å; V364-R368 HydrophobicContact CG1-CG 3.86Å; V364-V369 HydrophobicContact CG1-CG2 3.81Å
365	G	96.5	Very high	97.4	Very high	19 Å²	19	33.6 Å²	33.6	20%	0.196	16%	0.161	C	C	.	.			trans	-73.3	146.8	173.1	0	0	0	0	0	112.8	D367 R368 V369	G365-D367 PolarHBondContact O-N 3.06Å; G365-R368 WeakPolarHBondContact O-CB 3.3Å; G365-R368 PolarHBondContact O-N 2.92Å; G365-V369 PolarHBondContact O-N 2.98Å; G365-V369 VanDerWaalsContact O-N 3.08Å
366	M	96.9	Very high	97.6	Very high	36 Å²	36	33.3 Å²	33.3	18%	0.177	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-23.4	-179.7	-67.8	-50.8	-52.4	0	0	114	R368 V369 E370 D392 R394 L398	M366-R368 VanDerWaalsContact C-N 3.31Å; M366-V369 HydrophobicContact CE-CB 3.84Å; M366-V369 HydrophobicContact CE-CG1 3.85Å; M366-V369 HydrophobicContact CE-CG2 4.13Å; M366-V369 PolarHBondContact O-N 3.02Å; M366-V369 HydrophobicContact SD-CB 4.42Å; M366-V369 HydrophobicContact SD-CG2 4.1Å; M366-E370 VanDerWaalsContact O-CB 3.31Å; M366-E370 WeakPolarHBondContact O-CB 3.43Å; M366-E370 PolarHBondContact O-N 3.06Å; M366-D392 HydrophobicContact SD-CB 4.37Å; M366-R394 HydrophobicContact CE-CB 3.53Å; M366-R394 HydrophobicContact SD-CB 3.91Å; M366-L398 HydrophobicContact CE-CD1 3.4Å; M366-L398 VanDerWaalsContact CE-CD1 3.4Å; M366-L398 HydrophobicContact CE-CG 4.38Å
367	D	97.4	Very high	97.7	Very high	126 Å²	126	34 Å²	34	67%	0.674	16%	0.163	S	C	*	.	H	α-helix	trans	-63.5	-39.3	170.7	59.4	-58.3	0	0	0	111.5	G365 K371	G365-D367 PolarHBondContact O-N 3.06Å; D367-K371 WeakPolarHBondContact O-CB 3.45Å; D367-K371 PolarHBondContact O-N 2.94Å
368	R	97.6	Very high	97.8	Very high	10 Å²	10	35.7 Å²	35.7	4%	0.038	17%	0.17	C	C	.	.	H	α-helix	trans	-69.2	-44.4	175	178.4	163.4	177.7	101.7	-3.5	111.4	N356 V364 G365 M366 E370 K371 D372 S596 Q598	N356-R368 PolarHBondContact O-NE 2.75Å; N356-R368 PolarHBondContact O-NH2 2.94Å; V364-R368 HydrophobicContact CG1-CB 3.99Å; V364-R368 HydrophobicContact CG1-CG 3.86Å; G365-R368 WeakPolarHBondContact O-CB 3.3Å; G365-R368 PolarHBondContact O-N 2.92Å; M366-R368 VanDerWaalsContact C-N 3.31Å; R368-E370 PolarHBondContact O-N 2.92Å; R368-K371 WeakPolarHBondContact O-CB 3.45Å; R368-K371 PolarHBondContact O-N 2.98Å; R368-D372 PolarHBondContact O-N 2.97Å; R368-S596 PolarHBondContact NH1-O 2.84Å; R368-S596 PolarHBondContact NH2-O 2.87Å; R368-Q598 PolarHBondContact O-NE2 3.13Å
369	V	98.4	Very high	97.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-47.8	173.6	178.9	0	0	0	0	111	V364 G365 M366 K371 D372 L373 F395 L398	V364-V369 HydrophobicContact CG1-CG2 3.81Å; G365-V369 PolarHBondContact O-N 2.98Å; G365-V369 VanDerWaalsContact O-N 3.08Å; M366-V369 HydrophobicContact CE-CB 3.84Å; M366-V369 HydrophobicContact CE-CG1 3.85Å; M366-V369 HydrophobicContact CE-CG2 4.13Å; M366-V369 PolarHBondContact O-N 3.02Å; M366-V369 HydrophobicContact SD-CB 4.42Å; M366-V369 HydrophobicContact SD-CG2 4.1Å; V369-K371 VanDerWaalsContact C-N 3.27Å; V369-K371 PolarHBondContact O-N 3.26Å; V369-D372 WeakPolarHBondContact O-CB 3.39Å; V369-D372 PolarHBondContact O-N 2.8Å; V369-D372 VanDerWaalsContact O-N 3.15Å; V369-L373 WeakPolarHBondContact O-CG 3.4Å; V369-L373 PolarHBondContact O-N 3.44Å; V369-F395 HydrophobicContact CG1-CB 4.37Å; V369-F395 HydrophobicContact CG1-CD2 3.69Å; V369-L398 HydrophobicContact CG1-CD1 4.03Å
370	E	98.5	Very high	97.9	Very high	72 Å²	72	30.7 Å²	30.7	34%	0.336	15%	0.154	S	C	.	.	H	α-helix	trans	-62.2	-38	178.6	-175.8	170.1	-157.5	0	0	111.6	M366 R368 D372 L373 Q374 L398 Y402	M366-E370 VanDerWaalsContact O-CB 3.31Å; M366-E370 WeakPolarHBondContact O-CB 3.43Å; M366-E370 PolarHBondContact O-N 3.06Å; R368-E370 PolarHBondContact O-N 2.92Å; E370-D372 VanDerWaalsContact C-N 3.34Å; E370-D372 PolarHBondContact O-N 3.1Å; E370-L373 PolarHBondContact O-N 3.37Å; E370-Q374 WeakPolarHBondContact O-CG 3.11Å; E370-Q374 PolarHBondContact O-N 2.94Å; E370-L398 HydrophobicContact CB-CD1 4.12Å; E370-Y402 VanDerWaalsContact CD-OH 3.29Å; E370-Y402 HydrophobicContact CG-CE2 3.73Å; E370-Y402 WeakPolarHBondContact CG-OH 3.41Å; E370-Y402 WeakPolarHBondContact OE1-CE2 3.47Å; E370-Y402 PolarHBondContact OE1-OH 3.11Å
371	K	98.5	Very high	98	Very high	78 Å²	78	25.7 Å²	25.7	34%	0.339	13%	0.132	S	C	.	.	H	α-helix	trans	-62.3	-39	174.5	-178.7	59	176.3	175	0	112.5	D367 R368 V369 Q374 L375	D367-K371 WeakPolarHBondContact O-CB 3.45Å; D367-K371 PolarHBondContact O-N 2.94Å; R368-K371 WeakPolarHBondContact O-CB 3.45Å; R368-K371 PolarHBondContact O-N 2.98Å; V369-K371 VanDerWaalsContact C-N 3.27Å; V369-K371 PolarHBondContact O-N 3.26Å; K371-Q374 PolarHBondContact O-N 2.7Å; K371-L375 HydrophobicContact CD-CD1 4.37Å; K371-L375 HydrophobicContact CD-CG 4.27Å; K371-L375 HydrophobicContact CG-CD1 4.16Å; K371-L375 WeakPolarHBondContact O-CB 3.48Å; K371-L375 VanDerWaalsContact O-CG 3.32Å; K371-L375 WeakPolarHBondContact O-CG 3.46Å; K371-L375 PolarHBondContact O-N 2.58Å
372	D	98.7	Very high	98.1	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-56.7	-52.2	173.2	-69.7	-29.7	0	0	0	110.5	R353 R368 V369 E370 Q374 L375 M376 W557 Q598	R353-D372 IonicContact CZ-OD2 2.83Å; R353-D372 IonicContact NE-OD2 2.97Å; R353-D372 PolarHBondContact NE-OD2 2.65Å; R353-D372 IonicContact NH2-OD2 3.81Å; R353-D372 PolarHBondContact NH2-OD2 2.75Å; R368-D372 PolarHBondContact O-N 2.97Å; V369-D372 WeakPolarHBondContact O-CB 3.39Å; V369-D372 PolarHBondContact O-N 2.8Å; V369-D372 VanDerWaalsContact O-N 3.15Å; E370-D372 VanDerWaalsContact C-N 3.34Å; E370-D372 PolarHBondContact O-N 3.1Å; D372-Q374 VanDerWaalsContact C-N 3.32Å; D372-Q374 PolarHBondContact O-N 2.98Å; D372-L375 PolarHBondContact O-N 3.33Å; D372-L375 VanDerWaalsContact O-N 3.12Å; D372-M376 HydrophobicContact CB-CE 4.32Å; D372-M376 VanDerWaalsContact O-CG 3.31Å; D372-M376 WeakPolarHBondContact O-CG 3.35Å; D372-M376 PolarHBondContact O-N 2.99Å; D372-W557 HydrophobicContact CB-CZ2 4.26Å; D372-W557 WeakPolarHBondContact O-CZ2 3.22Å; D372-W557 PolarHBondContact OD1-NE1 3.04Å; D372-Q598 PolarHBondContact OD1-NE2 2.91Å
373	L	98.7	Very high	98.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-38.5	-177.3	-54.4	175.2	0	0	0	111.7	V369 E370 M376 K377 F395 L398 Y402 L404	V369-L373 WeakPolarHBondContact O-CG 3.4Å; V369-L373 PolarHBondContact O-N 3.44Å; E370-L373 PolarHBondContact O-N 3.37Å; L373-M376 HydrophobicContact CD2-SD 4.16Å; L373-M376 PolarHBondContact O-N 3.13Å; L373-K377 VanDerWaalsContact O-CG 3.3Å; L373-K377 WeakPolarHBondContact O-CG 3.31Å; L373-K377 PolarHBondContact O-N 3.25Å; L373-F395 HydrophobicContact CD2-CD2 4.38Å; L373-F395 HydrophobicContact CD2-CE2 3.75Å; L373-F395 HydrophobicContact CD2-CZ 4.37Å; L373-L398 HydrophobicContact CD1-CB 3.28Å; L373-L398 HydrophobicContact CD1-CD1 4.14Å; L373-L398 HydrophobicContact CD1-CG 4.34Å; L373-Y402 HydrophobicContact CB-CG 4.39Å; L373-L404 HydrophobicContact CB-CD1 4.15Å; L373-L404 HydrophobicContact CD2-CD1 3.47Å; L373-L404 VanDerWaalsContact CD2-CD1 3.47Å; L373-L404 HydrophobicContact CG-CD1 4.34Å
374	Q	98.7	Very high	98.3	Very high	46 Å²	46	25.5 Å²	25.5	22%	0.215	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-48.5	172.7	-73.2	174.7	-2.1	0	0	111.5	E370 K371 D372 K377 Q378 Y402	E370-Q374 WeakPolarHBondContact O-CG 3.11Å; E370-Q374 PolarHBondContact O-N 2.94Å; K371-Q374 PolarHBondContact O-N 2.7Å; D372-Q374 VanDerWaalsContact C-N 3.32Å; D372-Q374 PolarHBondContact O-N 2.98Å; Q374-K377 PolarHBondContact O-N 3.33Å; Q374-Q378 WeakPolarHBondContact O-CB 3.47Å; Q374-Q378 WeakPolarHBondContact O-CG 3.49Å; Q374-Q378 PolarHBondContact O-N 3.22Å; Q374-Y402 HydrophobicContact CG-CD1 4.4Å; Q374-Y402 HydrophobicContact CG-CE1 3.55Å; Q374-Y402 PolarHBondContact NE2-OH 2.91Å
375	L	98.8	Very high	98.4	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-44.3	178.8	-74	170.3	0	0	0	110.9	K371 D372 K377 Q378 H379 W557 I594 Q598 P600	K371-L375 HydrophobicContact CD-CD1 4.37Å; K371-L375 HydrophobicContact CD-CG 4.27Å; K371-L375 HydrophobicContact CG-CD1 4.16Å; K371-L375 WeakPolarHBondContact O-CB 3.48Å; K371-L375 VanDerWaalsContact O-CG 3.32Å; K371-L375 WeakPolarHBondContact O-CG 3.46Å; K371-L375 PolarHBondContact O-N 2.58Å; D372-L375 PolarHBondContact O-N 3.33Å; D372-L375 VanDerWaalsContact O-N 3.12Å; L375-K377 PolarHBondContact O-N 3.4Å; L375-Q378 PolarHBondContact O-N 2.96Å; L375-H379 WeakPolarHBondContact O-CB 3.5Å; L375-H379 PolarHBondContact O-N 2.81Å; L375-H379 PolarHBondContact O-ND1 2.94Å; L375-W557 HydrophobicContact CB-CH2 3.64Å; L375-W557 HydrophobicContact CB-CZ2 3.67Å; L375-W557 HydrophobicContact CD1-CZ2 4.3Å; L375-I594 HydrophobicContact CD1-CD1 4.45Å; L375-Q598 HydrophobicContact CD1-CB 4.16Å; L375-P600 HydrophobicContact CD2-CG 4.04Å
376	M	98.9	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-54.1	-52.8	175.2	-70.2	174.8	-172.5	0	0	110.8	V351 R353 D372 L373 Q378 H379 N380 I381 V384 L404 W557	V351-M376 HydrophobicContact CG2-CE 3.62Å; V351-M376 HydrophobicContact CG2-CG 4.24Å; V351-M376 HydrophobicContact CG2-SD 3.98Å; R353-M376 HydrophobicContact CB-CE 4.42Å; R353-M376 HydrophobicContact CG-CE 4.48Å; D372-M376 HydrophobicContact CB-CE 4.32Å; D372-M376 VanDerWaalsContact O-CG 3.31Å; D372-M376 WeakPolarHBondContact O-CG 3.35Å; D372-M376 PolarHBondContact O-N 2.99Å; L373-M376 HydrophobicContact CD2-SD 4.16Å; L373-M376 PolarHBondContact O-N 3.13Å; M376-Q378 PolarHBondContact O-N 3.03Å; M376-H379 CarbonylContact O-C 3.53Å; M376-H379 PolarHBondContact O-N 3.28Å; M376-N380 PolarHBondContact O-N 2.76Å; M376-I381 HydrophobicContact CB-CB 3.99Å; M376-I381 HydrophobicContact CB-CD1 4.26Å; M376-I381 HydrophobicContact CB-CG2 4.01Å; M376-I381 HydrophobicContact CG-CD1 4.25Å; M376-I381 HydrophobicContact CG-CG2 4.32Å; M376-I381 WeakPolarHBondContact O-CB 3.47Å; M376-I381 PolarHBondContact O-N 3.39Å; M376-I381 VanDerWaalsContact O-N 3.07Å; M376-V384 HydrophobicContact CE-CG2 4.09Å; M376-V384 HydrophobicContact SD-CB 4.3Å; M376-V384 HydrophobicContact SD-CG2 4.34Å; M376-L404 HydrophobicContact CB-CD1 4.34Å; M376-L404 HydrophobicContact SD-CD1 3.96Å; M376-W557 HydrophobicContact CB-CH2 4.32Å; M376-W557 HydrophobicContact CE-CB 4.42Å; M376-W557 HydrophobicContact CE-CD2 3.5Å; M376-W557 HydrophobicContact CE-CE3 4.01Å; M376-W557 HydrophobicContact CE-CG 3.68Å; M376-W557 HydrophobicContact CE-CZ2 4.23Å; M376-W557 HydrophobicContact CG-CD2 4.24Å; M376-W557 HydrophobicContact CG-CE3 3.98Å; M376-W557 HydrophobicContact CG-CH2 3.52Å; M376-W557 HydrophobicContact CG-CZ2 3.79Å; M376-W557 HydrophobicContact CG-CZ3 3.62Å
377	K	98.7	Very high	98.4	Very high	20 Å²	20	22 Å²	22	9%	0.087	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-38.3	179	-65.1	-58.9	-64.9	-178.6	0	113.1	A300 L373 Q374 L375 H379 N380 G403 L404 Y697	A300-K377 PolarHBondContact O-NZ 2.79Å; L373-K377 VanDerWaalsContact O-CG 3.3Å; L373-K377 WeakPolarHBondContact O-CG 3.31Å; L373-K377 PolarHBondContact O-N 3.25Å; Q374-K377 PolarHBondContact O-N 3.33Å; L375-K377 PolarHBondContact O-N 3.4Å; K377-H379 PolarHBondContact O-N 3.19Å; K377-N380 PolarHBondContact O-N 3.03Å; K377-G403 WeakPolarHBondContact CD-O 3.47Å; K377-G403 WeakPolarHBondContact CE-O 3.3Å; K377-G403 PolarHBondContact NZ-O 2.96Å; K377-L404 HydrophobicContact CD-CD2 3.79Å; K377-L404 HydrophobicContact CD-CG 3.92Å; K377-Y697 HydrophobicContact CB-CD1 3.59Å; K377-Y697 HydrophobicContact CB-CD2 3.5Å; K377-Y697 VanDerWaalsContact CB-CD2 3.5Å; K377-Y697 HydrophobicContact CB-CE1 3.75Å; K377-Y697 HydrophobicContact CB-CE2 3.69Å; K377-Y697 HydrophobicContact CB-CG 3.45Å; K377-Y697 VanDerWaalsContact CB-CG 3.45Å; K377-Y697 HydrophobicContact CD-CE1 4.39Å; K377-Y697 HydrophobicContact CG-CD1 3.8Å; K377-Y697 HydrophobicContact CG-CE1 3.9Å; K377-Y697 HydrophobicContact CG-CG 4.15Å
378	Q	98.6	Very high	98.3	Very high	42 Å²	42	16.1 Å²	16.1	20%	0.196	8%	0.075	C	C	.	.	H	α-helix	trans	-64.6	-22.3	175.2	-75	171.4	-3.9	0	0	113	Q374 L375 M376 K608 Y697 H702	Q374-Q378 WeakPolarHBondContact O-CB 3.47Å; Q374-Q378 WeakPolarHBondContact O-CG 3.49Å; Q374-Q378 PolarHBondContact O-N 3.22Å; L375-Q378 PolarHBondContact O-N 2.96Å; M376-Q378 PolarHBondContact O-N 3.03Å; Q378-K608 WeakPolarHBondContact O-CE 3.41Å; Q378-Y697 HydrophobicContact CG-CD2 4.38Å; Q378-Y697 WeakPolarHBondContact CG-O 3.46Å; Q378-Y697 PolarHBondContact NE2-O 3.46Å; Q378-H702 PolarHBondContact O-NE2 2.81Å
379	H	98.8	Very high	98.3	Very high	20 Å²	20	15.6 Å²	15.6	9%	0.093	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	25.7	-179.5	-65.2	83.3	0	0	0	112.9	L375 M376 K377 I381 L604 K608	L375-H379 WeakPolarHBondContact O-CB 3.5Å; L375-H379 PolarHBondContact O-N 2.81Å; L375-H379 PolarHBondContact O-ND1 2.94Å; M376-H379 CarbonylContact O-C 3.53Å; M376-H379 PolarHBondContact O-N 3.28Å; K377-H379 PolarHBondContact O-N 3.19Å; H379-I381 HydrophobicContact CB-CD1 4.49Å; H379-I381 PolarHBondContact O-N 3.28Å; H379-I381 VanDerWaalsContact O-N 3.12Å; H379-L604 HydrophobicContact CB-CD1 3.76Å; H379-L604 HydrophobicContact CB-CD2 4.48Å; H379-L604 HydrophobicContact CB-CG 4.13Å; H379-K608 HydrophobicContact CB-CB 4.01Å; H379-K608 HydrophobicContact CB-CD 4.39Å; H379-K608 HydrophobicContact CB-CG 4.27Å; H379-K608 WeakPolarHBondContact O-CA 3.08Å
380	N	98.7	Very high	98.3	Very high	20 Å²	20	15.7 Å²	15.7	11%	0.107	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	3.8	173.7	-54.4	-36.2	0	0	0	115.5	M376 K377 K608 I611 I704	M376-N380 PolarHBondContact O-N 2.76Å; K377-N380 PolarHBondContact O-N 3.03Å; N380-K608 WeakPolarHBondContact ND2-CG 3.24Å; N380-K608 PolarHBondContact ND2-O 3.26Å; N380-I611 HydrophobicContact CB-CD1 4.21Å; N380-I611 HydrophobicContact CB-CG1 3.89Å; N380-I704 PolarHBondContact ND2-O 2.96Å
381	I	98.8	Very high	98.3	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.058	C	C	.	.			trans	-66.1	136.2	176.4	-66.6	158.2	0	0	0	109.2	H349 V351 M376 H379 S383 L404 W557 L604 Y607 I611	H349-I381 WeakPolarHBondContact O-CG2 3.47Å; V351-I381 HydrophobicContact CG1-CD1 3.6Å; V351-I381 HydrophobicContact CG1-CG1 4.22Å; V351-I381 HydrophobicContact CG1-CG2 4.5Å; V351-I381 HydrophobicContact CG2-CD1 4.47Å; V351-I381 HydrophobicContact CG2-CG2 4.24Å; M376-I381 HydrophobicContact CB-CB 3.99Å; M376-I381 HydrophobicContact CB-CD1 4.26Å; M376-I381 HydrophobicContact CB-CG2 4.01Å; M376-I381 HydrophobicContact CG-CD1 4.25Å; M376-I381 HydrophobicContact CG-CG2 4.32Å; M376-I381 WeakPolarHBondContact O-CB 3.47Å; M376-I381 PolarHBondContact O-N 3.39Å; M376-I381 VanDerWaalsContact O-N 3.07Å; H379-I381 HydrophobicContact CB-CD1 4.49Å; H379-I381 PolarHBondContact O-N 3.28Å; H379-I381 VanDerWaalsContact O-N 3.12Å; I381-S383 WeakPolarHBondContact CG2-O 3.4Å; I381-L404 HydrophobicContact CG2-CD2 4.29Å; I381-W557 HydrophobicContact CD1-CE3 4.43Å; I381-W557 HydrophobicContact CD1-CZ3 3.78Å; I381-L604 HydrophobicContact CD1-CD1 4.01Å; I381-Y607 HydrophobicContact CD1-CD1 4.3Å; I381-Y607 HydrophobicContact CD1-CE1 4.22Å; I381-Y607 HydrophobicContact CG1-CD1 4.25Å; I381-Y607 HydrophobicContact CG1-CE1 3.88Å; I381-I611 HydrophobicContact CG1-CD1 3.94Å
382	N	98.7	Very high	98.2	Very high	15 Å²	15	9 Å²	9	8%	0.08	4%	0.043	C	C	.	.			trans	-118.2	-7.9	-178.2	75.7	13	0	0	0	113.6	A300 M347 L348 H349 L404 F405 W633	A300-N382 HydrophobicContact CB-CB 4.29Å; M347-N382 PolarHBondContact O-ND2 3.46Å; L348-N382 WeakPolarHBondContact CA-OD1 3.11Å; H349-N382 PolarHBondContact N-OD1 2.85Å; H349-N382 PolarHBondContact O-N 3.34Å; H349-N382 PolarHBondContact O-OD1 3.44Å; N382-L404 VanDerWaalsContact C-CD2 3.48Å; N382-F405 PolarHBondContact O-N 2.82Å; N382-W633 WeakPolarHBondContact ND2-CZ3 3.32Å
383	S	98.8	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157	-178.5	-167	0	0	0	0	112.8	H349 G350 V351 I381 F405 Y553	H349-S383 PolarHBondContact O-N 3.1Å; G350-S383 VanDerWaalsContact CA-O 3.22Å; G350-S383 WeakPolarHBondContact CA-O 3.08Å; V351-S383 PolarHBondContact N-O 3.02Å; I381-S383 WeakPolarHBondContact CG2-O 3.4Å; S383-F405 CarbonylContact C-O 3.54Å; S383-F405 WeakPolarHBondContact CA-O 3.27Å; S383-F405 WeakPolarHBondContact CB-O 3.22Å; S383-F405 PolarHBondContact OG-O 3.29Å; S383-Y553 WeakPolarHBondContact OG-CE1 3.46Å; S383-Y553 PolarHBondContact OG-OH 2.96Å
384	V	98.9	Very high	98	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	137	175.5	58.8	0	0	0	0	109.6	V351 R353 M376 F395 L404 F405 V406 M407	V351-V384 WeakPolarHBondContact O-CA 3.49Å; R353-V384 HydrophobicContact CB-CG2 3.74Å; M376-V384 HydrophobicContact CE-CG2 4.09Å; M376-V384 HydrophobicContact SD-CB 4.3Å; M376-V384 HydrophobicContact SD-CG2 4.34Å; V384-F395 HydrophobicContact CB-CZ 4.46Å; V384-F395 HydrophobicContact CG1-CE1 4.23Å; V384-F395 HydrophobicContact CG1-CZ 3.65Å; V384-F395 HydrophobicContact CG2-CZ 3.97Å; V384-L404 HydrophobicContact CG1-CB 4.36Å; V384-F405 PolarHBondContact N-O 3.31Å; V384-V406 HydrophobicContact CG1-CG2 3.9Å; V384-V406 WeakPolarHBondContact O-CA 3.29Å; V384-M407 PolarHBondContact O-N 3.04Å
385	R	98.8	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.4	169.7	169.7	171.6	166.6	-121.8	13.6	107.9	V351 N352 R353 A387 H388 M407 E409 N460 E524 Y553	V351-R385 PolarHBondContact O-N 3.48Å; N352-R385 WeakPolarHBondContact OD1-CB 3.46Å; N352-R385 WeakPolarHBondContact OD1-CD 3.35Å; N352-R385 WeakPolarHBondContact OD1-CG 3.42Å; N352-R385 PolarHBondContact OD1-NH1 3.32Å; R353-R385 PolarHBondContact N-O 3.02Å; R385-A387 PolarHBondContact O-N 3.18Å; R385-H388 PolarHBondContact NH1-CE1 3.32Å; R385-H388 PolarHBondContact NH2-CE1 3.16Å; R385-H388 PolarHBondContact NH2-ND1 3.29Å; R385-H388 VanDerWaalsContact NH2-ND1 3.17Å; R385-M407 WeakPolarHBondContact CA-O 3.41Å; R385-M407 HydrophobicContact CB-CB 4.17Å; R385-M407 HydrophobicContact CB-SD 4.47Å; R385-M407 HydrophobicContact CG-CB 4.43Å; R385-M407 HydrophobicContact CG-CG 4.38Å; R385-M407 HydrophobicContact CG-SD 4.1Å; R385-E409 IonicContact CZ-OE1 3.08Å; R385-E409 IonicContact CZ-OE2 3.24Å; R385-E409 VanDerWaalsContact CZ-OE2 3.28Å; R385-E409 VanDerWaalsContact NE-CD 3.3Å; R385-E409 IonicContact NE-OE1 3.24Å; R385-E409 PolarHBondContact NE-OE1 3.31Å; R385-E409 VanDerWaalsContact NE-OE1 3.12Å; R385-E409 IonicContact NE-OE2 3.95Å; R385-E409 PolarHBondContact NE-OE2 3.33Å; R385-E409 IonicContact NH2-OE1 2.7Å; R385-E409 PolarHBondContact NH2-OE1 3.15Å; R385-E409 IonicContact NH2-OE2 2.85Å; R385-E409 PolarHBondContact NH2-OE2 2.67Å; R385-N460 PolarHBondContact NH2-OD1 2.99Å; R385-E524 IonicContact CZ-OE1 2.84Å; R385-E524 IonicContact NH1-OE1 3.88Å; R385-E524 PolarHBondContact NH1-OE1 3.01Å; R385-Y553 HydrophobicContact CB-CD1 3.67Å; R385-Y553 HydrophobicContact CB-CE1 3.81Å; R385-Y553 HydrophobicContact CB-CG 4.2Å
386	T	98.5	Very high	98	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.			trans	-80.9	71.3	178.7	60.4	0	0	0	0	110.4	Y389 N391 F395 Y396 V406 M407 E409	T386-Y389 WeakPolarHBondContact CB-O 3.32Å; T386-Y389 PolarHBondContact O-N 3.26Å; T386-Y389 PolarHBondContact OG1-O 3.24Å; T386-N391 HydrophobicContact CG2-CB 4.15Å; T386-F395 HydrophobicContact CG2-CD1 4.1Å; T386-F395 HydrophobicContact CG2-CE1 3.47Å; T386-F395 VanDerWaalsContact CG2-CE1 3.47Å; T386-F395 HydrophobicContact CG2-CZ 4.09Å; T386-Y396 HydrophobicContact CG2-CE1 4.15Å; T386-V406 HydrophobicContact CG2-CG1 4.17Å; T386-M407 PolarHBondContact N-O 3.08Å; T386-M407 VanDerWaalsContact N-O 3.09Å; T386-E409 WeakPolarHBondContact O-CB 3.47Å; T386-E409 PolarHBondContact OG1-N 3.35Å
387	A	95	Very high	97.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	129.7	-177.6	0	0	0	0	0	111.5	N352 R353 H354 R385 W555	N352-A387 HydrophobicContact CB-CB 4.01Å; R353-A387 PolarHBondContact O-N 2.93Å; H354-A387 PolarHBondContact CE1-O 3.49Å; H354-A387 VanDerWaalsContact CE1-O 3.28Å; H354-A387 PolarHBondContact ND1-O 3.3Å; R385-A387 PolarHBondContact O-N 3.18Å; A387-W555 HydrophobicContact CB-CH2 4.16Å; A387-W555 HydrophobicContact CB-CZ3 3.6Å
388	H	95	Very high	97.9	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.009	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	cis	-111.7	40.8	-18.8	-61	-71.3	0	0	0	111.1	Q201 H354 R385 E409 D411 E413 N460 E524 W555	Q201-H388 HydrophobicContact CG-CB 3.97Å; H354-H388 AromaticContact NE2-CD2 3.7Å; R385-H388 PolarHBondContact NH1-CE1 3.32Å; R385-H388 PolarHBondContact NH2-CE1 3.16Å; R385-H388 PolarHBondContact NH2-ND1 3.29Å; R385-H388 VanDerWaalsContact NH2-ND1 3.17Å; H388-E409 VanDerWaalsContact CA-OE1 3.29Å; H388-E409 WeakPolarHBondContact CA-OE1 3.45Å; H388-E409 IonicContact CE1-OE1 2.67Å; H388-E409 IonicContact CG-OE1 3.98Å; H388-E409 IonicContact ND1-OE1 3.05Å; H388-E409 PolarHBondContact ND1-OE1 3.31Å; H388-D411 WeakPolarHBondContact O-CA 3.27Å; H388-E413 VanDerWaalsContact CB-OE2 3.24Å; H388-E413 WeakPolarHBondContact CB-OE2 3.33Å; H388-E413 IonicContact CD2-OE1 3.26Å; H388-E413 IonicContact CD2-OE2 2.72Å; H388-E413 PolarHBondContact CD2-OE2 3.29Å; H388-E413 IonicContact CG-OE2 2.81Å; H388-E413 IonicContact NE2-OE2 2.88Å; H388-N460 HydrophobicContact CB-CB 3.94Å; H388-N460 PolarHBondContact CE1-ND2 3.22Å; H388-N460 PolarHBondContact CE1-OD1 2.85Å; H388-N460 WeakPolarHBondContact ND1-CB 3.43Å; H388-N460 PolarHBondContact NE2-ND2 3.49Å; H388-E524 IonicContact CE1-OE1 2.91Å; H388-W555 AromaticContact CD2-CH2 3.95Å; H388-W555 AromaticContact CE1-CH2 3.91Å; H388-W555 AromaticContact CE1-CZ3 3.53Å; H388-W555 AromaticContact NE2-CH2 3.13Å; H388-W555 WeakPolarHBondContact NE2-CH2 3.38Å; H388-W555 AromaticContact NE2-CZ3 3.25Å; H388-W555 WeakPolarHBondContact NE2-CZ3 3.35Å
389	Y	97.9	Very high	97.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-161.6	165.3	-170.3	50.6	-111.7	0	0	0	112.6	R167 Q201 M203 H354 D355 T386 N391 E409	R167-Y389 HydrophobicContact CB-CD2 4.07Å; R167-Y389 HydrophobicContact CB-CG 4.11Å; R167-Y389 HydrophobicContact CG-CD1 4.09Å; R167-Y389 HydrophobicContact CG-CD2 3.54Å; R167-Y389 HydrophobicContact CG-CE2 4.07Å; R167-Y389 HydrophobicContact CG-CG 3.55Å; Q201-Y389 HydrophobicContact CG-CD1 4.19Å; M203-Y389 HydrophobicContact SD-CE1 3.91Å; H354-Y389 AromaticContact CE1-CE1 3.66Å; H354-Y389 AromaticContact ND1-CE1 3.44Å; H354-Y389 WeakPolarHBondContact ND1-CE1 3.45Å; H354-Y389 AromaticContact ND1-CZ 3.52Å; H354-Y389 PolarHBondContact ND1-OH 3.23Å; D355-Y389 HydrophobicContact CB-CE2 4.39Å; D355-Y389 PolarHBondContact N-OH 3.44Å; T386-Y389 WeakPolarHBondContact CB-O 3.32Å; T386-Y389 PolarHBondContact O-N 3.26Å; T386-Y389 PolarHBondContact OG1-O 3.24Å; Y389-N391 PolarHBondContact O-N 2.91Å; Y389-N391 PolarHBondContact O-ND2 2.95Å; Y389-E409 CarbonylContact C-O 3.41Å; Y389-E409 WeakPolarHBondContact CA-O 3.29Å
390	P	98.2	Very high	97.9	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.019	4%	0.038	C	C	.	.			trans	-62.4	128.8	174.5	-21.3	34	0	0	0	110.9	L168 R211 Y396 E409 H443	L168-P390 HydrophobicContact CD2-CG 3.81Å; R211-P390 PolarHBondContact NH1-O 2.93Å; R211-P390 PolarHBondContact NH2-O 3.32Å; P390-Y396 VanDerWaalsContact CA-OH 3.27Å; P390-Y396 WeakPolarHBondContact CA-OH 3.42Å; P390-E409 WeakPolarHBondContact CD-O 3.42Å; P390-E409 VanDerWaalsContact N-O 3.13Å; P390-H443 HydrophobicContact CG-CB 4.14Å
391	N	98	Very high	97.9	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	4%	0.04	C	C	.	.			trans	-75.6	176.2	173	-79.2	-163.4	0	0	0	110.3	R353 T386 Y389 F395 Y396	R353-N391 PolarHBondContact NH1-OD1 3.09Å; T386-N391 HydrophobicContact CG2-CB 4.15Å; Y389-N391 PolarHBondContact O-N 2.91Å; Y389-N391 PolarHBondContact O-ND2 2.95Å; N391-F395 HydrophobicContact CB-CB 3.88Å; N391-F395 HydrophobicContact CB-CD1 3.79Å; N391-F395 HydrophobicContact CB-CD2 4.43Å; N391-F395 HydrophobicContact CB-CE1 4.43Å; N391-F395 HydrophobicContact CB-CG 3.79Å; N391-Y396 HydrophobicContact CB-CE2 4.47Å; N391-Y396 PolarHBondContact N-OH 3.12Å
392	D	97.2	Very high	97.9	Very high	8 Å²	8	9 Å²	9	4%	0.043	4%	0.042	C	C	.	.			trans	-50.9	136.4	172.9	-172.9	-70.6	0	0	0	110.4	M366 R394 F395	M366-D392 HydrophobicContact SD-CB 4.37Å; D392-R394 PolarHBondContact O-N 3Å; D392-R394 VanDerWaalsContact OD1-CB 3.25Å; D392-R394 WeakPolarHBondContact OD1-CB 3.46Å; D392-R394 WeakPolarHBondContact OD1-CG 3.08Å; D392-R394 IonicContact OD1-CZ 2.85Å; D392-R394 PolarHBondContact OD1-N 3.22Å; D392-R394 IonicContact OD1-NE 2.65Å; D392-R394 PolarHBondContact OD1-NE 2.94Å; D392-R394 IonicContact OD1-NH2 2.96Å; D392-R394 IonicContact OD2-CZ 3.12Å; D392-R394 IonicContact OD2-NE 3.64Å; D392-R394 PolarHBondContact OD2-NE 3.36Å; D392-R394 IonicContact OD2-NH2 2.69Å; D392-R394 PolarHBondContact OD2-NH2 2.67Å; D392-F395 WeakPolarHBondContact O-CB 3.4Å; D392-F395 PolarHBondContact O-N 2.96Å
393	P	95.5	Very high	97.9	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.013	4%	0.038	C	C	.	.	H	α-helix	trans	-51.4	-30.6	-179.7	-28.9	35.5	0	0	0	114.4	Y32 F395 Y396	Y32-P393 HydrophobicContact CD1-CB 3.69Å; Y32-P393 HydrophobicContact CD2-CB 3.53Å; Y32-P393 HydrophobicContact CD2-CG 3.68Å; Y32-P393 HydrophobicContact CE1-CB 3.81Å; Y32-P393 HydrophobicContact CE2-CB 3.65Å; Y32-P393 HydrophobicContact CE2-CG 3.73Å; Y32-P393 HydrophobicContact CG-CB 3.55Å; Y32-P393 HydrophobicContact CG-CG 4.19Å; P393-F395 VanDerWaalsContact C-N 3.28Å; P393-F395 PolarHBondContact O-N 3.3Å; P393-Y396 PolarHBondContact O-N 3.05Å
394	R	97.1	Very high	97.9	Very high	47 Å²	47	8.2 Å²	8.2	18%	0.177	4%	0.038	C	C	.	.	H	α-helix	trans	-71.2	-20.9	177.5	-60	168.4	-70.5	-172.9	-5.3	113.1	D212 M366 D392 Y396 E397 L398	D212-R394 IonicContact OD2-CZ 3.55Å; D212-R394 VanDerWaalsContact OD2-CZ 3.29Å; D212-R394 IonicContact OD2-NH1 2.66Å; D212-R394 PolarHBondContact OD2-NH1 2.83Å; D212-R394 IonicContact OD2-NH2 2.67Å; D212-R394 PolarHBondContact OD2-NH2 3.08Å; M366-R394 HydrophobicContact CE-CB 3.53Å; M366-R394 HydrophobicContact SD-CB 3.91Å; D392-R394 PolarHBondContact O-N 3Å; D392-R394 VanDerWaalsContact OD1-CB 3.25Å; D392-R394 WeakPolarHBondContact OD1-CB 3.46Å; D392-R394 WeakPolarHBondContact OD1-CG 3.08Å; D392-R394 IonicContact OD1-CZ 2.85Å; D392-R394 PolarHBondContact OD1-N 3.22Å; D392-R394 IonicContact OD1-NE 2.65Å; D392-R394 PolarHBondContact OD1-NE 2.94Å; D392-R394 IonicContact OD1-NH2 2.96Å; D392-R394 IonicContact OD2-CZ 3.12Å; D392-R394 IonicContact OD2-NE 3.64Å; D392-R394 PolarHBondContact OD2-NE 3.36Å; D392-R394 IonicContact OD2-NH2 2.69Å; D392-R394 PolarHBondContact OD2-NH2 2.67Å; R394-Y396 VanDerWaalsContact C-N 3.33Å; R394-E397 WeakPolarHBondContact O-CB 3.34Å; R394-E397 PolarHBondContact O-N 2.8Å; R394-L398 WeakPolarHBondContact O-CG 3.47Å; R394-L398 PolarHBondContact O-N 2.76Å
395	F	98.6	Very high	97.9	Very high	1 Å²	1	8.4 Å²	8.4	0%	0.004	4%	0.039	C	C	.	.	H	α-helix	trans	-58.8	-45.5	173.2	170.1	-95.6	0	0	0	111.2	V369 L373 V384 T386 N391 D392 P393 L398 C399 V406	V369-F395 HydrophobicContact CG1-CB 4.37Å; V369-F395 HydrophobicContact CG1-CD2 3.69Å; L373-F395 HydrophobicContact CD2-CD2 4.38Å; L373-F395 HydrophobicContact CD2-CE2 3.75Å; L373-F395 HydrophobicContact CD2-CZ 4.37Å; V384-F395 HydrophobicContact CB-CZ 4.46Å; V384-F395 HydrophobicContact CG1-CE1 4.23Å; V384-F395 HydrophobicContact CG1-CZ 3.65Å; V384-F395 HydrophobicContact CG2-CZ 3.97Å; T386-F395 HydrophobicContact CG2-CD1 4.1Å; T386-F395 HydrophobicContact CG2-CE1 3.47Å; T386-F395 VanDerWaalsContact CG2-CE1 3.47Å; T386-F395 HydrophobicContact CG2-CZ 4.09Å; N391-F395 HydrophobicContact CB-CB 3.88Å; N391-F395 HydrophobicContact CB-CD1 3.79Å; N391-F395 HydrophobicContact CB-CD2 4.43Å; N391-F395 HydrophobicContact CB-CE1 4.43Å; N391-F395 HydrophobicContact CB-CG 3.79Å; D392-F395 WeakPolarHBondContact O-CB 3.4Å; D392-F395 PolarHBondContact O-N 2.96Å; P393-F395 VanDerWaalsContact C-N 3.28Å; P393-F395 PolarHBondContact O-N 3.3Å; F395-L398 PolarHBondContact O-N 2.94Å; F395-C399 VanDerWaalsContact CE1-SG 3.59Å; F395-C399 PolarHBondContact O-N 2.8Å; F395-C399 PolarHBondContact O-SG 3.49Å; F395-V406 HydrophobicContact CE1-CG1 4.44Å; F395-V406 HydrophobicContact CE1-CG2 4.41Å
396	Y	98.7	Very high	97.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-68.4	-38.1	-179.8	-54.4	-83.3	0	0	0	111.4	T386 P390 N391 P393 R394 L398 C399 D400 V406 A408 H443 Q447 H450 S452 I453	T386-Y396 HydrophobicContact CG2-CE1 4.15Å; P390-Y396 VanDerWaalsContact CA-OH 3.27Å; P390-Y396 WeakPolarHBondContact CA-OH 3.42Å; N391-Y396 HydrophobicContact CB-CE2 4.47Å; N391-Y396 PolarHBondContact N-OH 3.12Å; P393-Y396 PolarHBondContact O-N 3.05Å; R394-Y396 VanDerWaalsContact C-N 3.33Å; Y396-L398 VanDerWaalsContact C-N 3.3Å; Y396-L398 PolarHBondContact O-N 2.78Å; Y396-C399 PolarHBondContact O-N 3.24Å; Y396-D400 VanDerWaalsContact O-CG 3.22Å; Y396-D400 PolarHBondContact O-N 3.24Å; Y396-V406 HydrophobicContact CD1-CG1 4.09Å; Y396-V406 HydrophobicContact CE1-CG1 3.91Å; Y396-A408 HydrophobicContact CE1-CB 4.01Å; Y396-H443 PolarHBondContact OH-NE2 3.27Å; Y396-Q447 VanDerWaalsContact CD2-CD 3.46Å; Y396-Q447 HydrophobicContact CD2-CG 4.04Å; Y396-Q447 HydrophobicContact CE2-CG 3.86Å; Y396-H450 VanDerWaalsContact CB-CD2 3.45Å; Y396-H450 WeakPolarHBondContact CB-CD2 3.46Å; Y396-S452 PolarHBondContact O-OG 2.88Å; Y396-I453 HydrophobicContact CD1-CD1 3.63Å; Y396-I453 HydrophobicContact CD1-CG1 3.84Å; Y396-I453 HydrophobicContact CE1-CD1 3.9Å; Y396-I453 HydrophobicContact CE1-CG1 4.29Å; Y396-I453 HydrophobicContact CG-CD1 4.35Å
397	E	98.1	Very high	97.9	Very high	39 Å²	39	8.4 Å²	8.4	18%	0.182	4%	0.039	C	C	.	.	H	α-helix	trans	-57.7	-43.4	170	-68.4	-172.7	-140.5	0	0	111.9	R326 R394 D400 I401	R326-E397 IonicContact CZ-OE2 3.99Å; R326-E397 IonicContact NH1-OE2 3.38Å; R326-E397 PolarHBondContact NH1-OE2 3.33Å; R394-E397 WeakPolarHBondContact O-CB 3.34Å; R394-E397 PolarHBondContact O-N 2.8Å; E397-D400 WeakPolarHBondContact O-CB 3.3Å; E397-D400 PolarHBondContact O-N 2.6Å; E397-I401 WeakPolarHBondContact O-CD1 3.33Å; E397-I401 VanDerWaalsContact O-CG1 3.23Å; E397-I401 WeakPolarHBondContact O-CG1 3.18Å; E397-I401 PolarHBondContact O-N 3.35Å; E397-I401 VanDerWaalsContact O-N 3.12Å
398	L	98.6	Very high	98.1	Very high	26 Å²	26	8.4 Å²	8.4	14%	0.136	4%	0.039	C	C	.	.	H	α-helix	trans	-68.5	-37.3	177.3	-67.8	173.3	0	0	0	111.7	M366 V369 E370 L373 R394 F395 Y396 D400 I401 Y402	M366-L398 HydrophobicContact CE-CD1 3.4Å; M366-L398 VanDerWaalsContact CE-CD1 3.4Å; M366-L398 HydrophobicContact CE-CG 4.38Å; V369-L398 HydrophobicContact CG1-CD1 4.03Å; E370-L398 HydrophobicContact CB-CD1 4.12Å; L373-L398 HydrophobicContact CD1-CB 3.28Å; L373-L398 HydrophobicContact CD1-CD1 4.14Å; L373-L398 HydrophobicContact CD1-CG 4.34Å; R394-L398 WeakPolarHBondContact O-CG 3.47Å; R394-L398 PolarHBondContact O-N 2.76Å; F395-L398 PolarHBondContact O-N 2.94Å; Y396-L398 VanDerWaalsContact C-N 3.3Å; Y396-L398 PolarHBondContact O-N 2.78Å; L398-D400 VanDerWaalsContact C-N 3.31Å; L398-D400 PolarHBondContact O-N 3.26Å; L398-I401 PolarHBondContact O-N 3.34Å; L398-I401 VanDerWaalsContact O-N 3.14Å; L398-Y402 HydrophobicContact CB-CD2 4.43Å; L398-Y402 HydrophobicContact CD2-CD2 4.48Å; L398-Y402 HydrophobicContact CD2-CE2 4.21Å; L398-Y402 WeakPolarHBondContact O-CB 3.37Å; L398-Y402 WeakPolarHBondContact O-CD2 3.41Å; L398-Y402 PolarHBondContact O-N 3.28Å
399	C	98.9	Very high	98.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.4	-38.7	173.9	-69	0	0	0	0	112	F395 Y396 I401 G403 L404 V406	F395-C399 VanDerWaalsContact CE1-SG 3.59Å; F395-C399 PolarHBondContact O-N 2.8Å; F395-C399 PolarHBondContact O-SG 3.49Å; Y396-C399 PolarHBondContact O-N 3.24Å; C399-I401 VanDerWaalsContact C-N 3.31Å; C399-I401 PolarHBondContact O-N 2.85Å; C399-G403 WeakPolarHBondContact O-CA 3.22Å; C399-G403 PolarHBondContact O-N 2.81Å; C399-L404 HydrophobicContact CB-CB 4.42Å; C399-L404 PolarHBondContact O-N 2.72Å; C399-L404 VanDerWaalsContact O-N 3.16Å; C399-V406 HydrophobicContact CB-CG2 3.66Å
400	D	98.9	Very high	98.3	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-60.2	-41.8	172.4	-62.9	-24	0	0	0	111.5	W298 P303 L305 Y396 E397 L398 H450 P451 S452	W298-D400 PolarHBondContact NE1-O 2.8Å; P303-D400 WeakPolarHBondContact CB-O 3.26Å; L305-D400 HydrophobicContact CD1-CB 4.01Å; L305-D400 HydrophobicContact CD2-CB 4.26Å; Y396-D400 VanDerWaalsContact O-CG 3.22Å; Y396-D400 PolarHBondContact O-N 3.24Å; E397-D400 WeakPolarHBondContact O-CB 3.3Å; E397-D400 PolarHBondContact O-N 2.6Å; L398-D400 VanDerWaalsContact C-N 3.31Å; L398-D400 PolarHBondContact O-N 3.26Å; D400-H450 IonicContact OD1-ND1 3.44Å; D400-H450 IonicContact OD2-CE1 3.5Å; D400-H450 IonicContact OD2-CG 3.94Å; D400-H450 IonicContact OD2-ND1 3.78Å; D400-H450 PolarHBondContact OD2-ND1 2.73Å; D400-P451 HydrophobicContact CB-CG 4.18Å; D400-P451 VanDerWaalsContact CG-CD 3.45Å; D400-P451 VanDerWaalsContact OD1-CD 3.22Å; D400-P451 WeakPolarHBondContact OD1-CD 3.33Å; D400-P451 WeakPolarHBondContact OD1-CG 3.36Å; D400-P451 WeakPolarHBondContact OD2-CD 3.12Å; D400-S452 WeakPolarHBondContact OD1-CB 3.33Å; D400-S452 PolarHBondContact OD1-N 2.79Å; D400-S452 PolarHBondContact OD1-OG 3.29Å
401	I	98.5	Very high	98.3	Very high	31 Å²	31	8.1 Å²	8.1	16%	0.159	4%	0.037	C	C	.	.	H	α-helix	trans	-76.4	-42.2	-175.5	-69.3	164.1	0	0	0	112.5	L305 E397 L398 C399	L305-I401 HydrophobicContact CD1-CG1 4.07Å; E397-I401 WeakPolarHBondContact O-CD1 3.33Å; E397-I401 VanDerWaalsContact O-CG1 3.23Å; E397-I401 WeakPolarHBondContact O-CG1 3.18Å; E397-I401 PolarHBondContact O-N 3.35Å; E397-I401 VanDerWaalsContact O-N 3.12Å; L398-I401 PolarHBondContact O-N 3.34Å; L398-I401 VanDerWaalsContact O-N 3.14Å; C399-I401 VanDerWaalsContact C-N 3.31Å; C399-I401 PolarHBondContact O-N 2.85Å
402	Y	98.6	Very high	98.3	Very high	12 Å²	12	8.1 Å²	8.1	5%	0.047	4%	0.037	C	C	.	.	H	α-helix	trans	-85.9	-22.2	-176.6	-83.9	-89.3	0	0	0	113	E370 L373 Q374 L398 R696 Y697	E370-Y402 VanDerWaalsContact CD-OH 3.29Å; E370-Y402 HydrophobicContact CG-CE2 3.73Å; E370-Y402 WeakPolarHBondContact CG-OH 3.41Å; E370-Y402 WeakPolarHBondContact OE1-CE2 3.47Å; E370-Y402 PolarHBondContact OE1-OH 3.11Å; L373-Y402 HydrophobicContact CB-CG 4.39Å; Q374-Y402 HydrophobicContact CG-CD1 4.4Å; Q374-Y402 HydrophobicContact CG-CE1 3.55Å; Q374-Y402 PolarHBondContact NE2-OH 2.91Å; L398-Y402 HydrophobicContact CB-CD2 4.43Å; L398-Y402 HydrophobicContact CD2-CD2 4.48Å; L398-Y402 HydrophobicContact CD2-CE2 4.21Å; L398-Y402 WeakPolarHBondContact O-CB 3.37Å; L398-Y402 WeakPolarHBondContact O-CD2 3.41Å; L398-Y402 PolarHBondContact O-N 3.28Å; Y402-R696 HydrophobicContact CD1-CB 4.27Å; Y402-R696 HydrophobicContact CE1-CB 3.81Å; Y402-Y697 AromaticContact CD1-CD1 4Å; Y402-Y697 HydrophobicContact CD1-CD1 4Å
403	G	98.5	Very high	98.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	73.6	-179.6	0	0	0	0	0	112.6	A300 K377 C399	A300-G403 WeakPolarHBondContact CA-O 2.98Å; A300-G403 WeakPolarHBondContact CB-O 3.28Å; A300-G403 VanDerWaalsContact O-O 3.13Å; K377-G403 WeakPolarHBondContact CD-O 3.47Å; K377-G403 WeakPolarHBondContact CE-O 3.3Å; K377-G403 PolarHBondContact NZ-O 2.96Å; C399-G403 WeakPolarHBondContact O-CA 3.22Å; C399-G403 PolarHBondContact O-N 2.81Å
404	L	98.8	Very high	98.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.035	C	C	.	.			trans	-127.5	134.8	167.5	-74.5	163.4	0	0	0	109	L373 M376 K377 I381 N382 V384 C399 S452	L373-L404 HydrophobicContact CB-CD1 4.15Å; L373-L404 HydrophobicContact CD2-CD1 3.47Å; L373-L404 VanDerWaalsContact CD2-CD1 3.47Å; L373-L404 HydrophobicContact CG-CD1 4.34Å; M376-L404 HydrophobicContact CB-CD1 4.34Å; M376-L404 HydrophobicContact SD-CD1 3.96Å; K377-L404 HydrophobicContact CD-CD2 3.79Å; K377-L404 HydrophobicContact CD-CG 3.92Å; I381-L404 HydrophobicContact CG2-CD2 4.29Å; N382-L404 VanDerWaalsContact C-CD2 3.48Å; V384-L404 HydrophobicContact CG1-CB 4.36Å; C399-L404 HydrophobicContact CB-CB 4.42Å; C399-L404 PolarHBondContact O-N 2.72Å; C399-L404 VanDerWaalsContact O-N 3.16Å; L404-S452 VanDerWaalsContact O-CB 3.25Å; L404-S452 WeakPolarHBondContact O-CB 3.27Å
405	F	98.9	Very high	98.3	Very high	3 Å²	3	6.7 Å²	6.7	1%	0.013	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	132.4	168.5	-65.6	-54.2	0	0	0	109.6	W298 A300 I341 L348 N382 S383 V384 S452 I454 F634	W298-F405 HydrophobicContact CH2-CD1 4.2Å; W298-F405 HydrophobicContact CH2-CE1 4.42Å; W298-F405 AromaticContact CZ3-CD1 3.78Å; W298-F405 HydrophobicContact CZ3-CD1 3.78Å; W298-F405 AromaticContact CZ3-CE1 3.7Å; W298-F405 HydrophobicContact CZ3-CE1 3.7Å; A300-F405 HydrophobicContact CB-CD1 4.44Å; A300-F405 HydrophobicContact CB-CD2 3.68Å; A300-F405 HydrophobicContact CB-CE1 4.33Å; A300-F405 HydrophobicContact CB-CE2 3.56Å; A300-F405 HydrophobicContact CB-CG 4.14Å; A300-F405 HydrophobicContact CB-CZ 3.91Å; I341-F405 HydrophobicContact CD1-CD1 3.92Å; I341-F405 HydrophobicContact CD1-CE1 3.52Å; I341-F405 HydrophobicContact CD1-CE2 4.2Å; I341-F405 HydrophobicContact CD1-CG 4.42Å; I341-F405 HydrophobicContact CD1-CZ 3.68Å; I341-F405 HydrophobicContact CG2-CE1 4.26Å; I341-F405 HydrophobicContact CG2-CZ 4.45Å; L348-F405 HydrophobicContact CD2-CB 4.32Å; L348-F405 HydrophobicContact CD2-CD2 3.88Å; L348-F405 HydrophobicContact CD2-CG 4.37Å; N382-F405 PolarHBondContact O-N 2.82Å; S383-F405 CarbonylContact C-O 3.54Å; S383-F405 WeakPolarHBondContact CA-O 3.27Å; S383-F405 WeakPolarHBondContact CB-O 3.22Å; S383-F405 PolarHBondContact OG-O 3.29Å; V384-F405 PolarHBondContact N-O 3.31Å; F405-S452 CarbonylContact C-O 3.29Å; F405-I454 HydrophobicContact CB-CD1 3.7Å; F405-I454 HydrophobicContact CB-CG1 4.04Å; F405-I454 HydrophobicContact CD1-CD1 4.24Å; F405-I454 HydrophobicContact CD1-CG2 3.73Å; F405-I454 HydrophobicContact CE1-CG2 4.35Å; F405-I454 HydrophobicContact CG-CD1 4.01Å; F405-F634 HydrophobicContact CZ-CE2 4.1Å; F405-F634 HydrophobicContact CZ-CZ 4.45Å
406	V	98.9	Very high	98.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.7	-176.5	-179.3	0	0	0	0	109.8	V384 T386 F395 Y396 C399 A408 S452 I453 I454 I455	V384-V406 HydrophobicContact CG1-CG2 3.9Å; V384-V406 WeakPolarHBondContact O-CA 3.29Å; T386-V406 HydrophobicContact CG2-CG1 4.17Å; F395-V406 HydrophobicContact CE1-CG1 4.44Å; F395-V406 HydrophobicContact CE1-CG2 4.41Å; Y396-V406 HydrophobicContact CD1-CG1 4.09Å; Y396-V406 HydrophobicContact CE1-CG1 3.91Å; C399-V406 HydrophobicContact CB-CG2 3.66Å; V406-A408 HydrophobicContact CG1-CB 4.08Å; V406-S452 PolarHBondContact N-O 3.07Å; V406-I453 HydrophobicContact CB-CG1 4.17Å; V406-I453 HydrophobicContact CG1-CG1 4.26Å; V406-I453 WeakPolarHBondContact O-CA 3.5Å; V406-I454 PolarHBondContact O-N 2.74Å; V406-I455 PolarHBondContact O-N 3.12Å
407	M	98.8	Very high	98.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	102.3	155.8	-179.2	-177.1	-65.5	0	0	106.9	V384 R385 T386 E409 I455 H485 I521 Y553	V384-M407 PolarHBondContact O-N 3.04Å; R385-M407 WeakPolarHBondContact CA-O 3.41Å; R385-M407 HydrophobicContact CB-CB 4.17Å; R385-M407 HydrophobicContact CB-SD 4.47Å; R385-M407 HydrophobicContact CG-CB 4.43Å; R385-M407 HydrophobicContact CG-CG 4.38Å; R385-M407 HydrophobicContact CG-SD 4.1Å; T386-M407 PolarHBondContact N-O 3.08Å; T386-M407 VanDerWaalsContact N-O 3.09Å; M407-E409 PolarHBondContact O-N 3.03Å; M407-I455 WeakPolarHBondContact CA-O 3.46Å; M407-I455 HydrophobicContact CB-CB 4.27Å; M407-I455 HydrophobicContact CE-CD1 3.8Å; M407-I455 HydrophobicContact CE-CG2 4.2Å; M407-I455 HydrophobicContact CG-CB 4.07Å; M407-I455 HydrophobicContact CG-CG2 3.89Å; M407-H485 HydrophobicContact CE-CB 4.36Å; M407-H485 HydrophobicContact SD-CB 4.32Å; M407-I521 HydrophobicContact CE-CG2 4.24Å; M407-Y553 HydrophobicContact CE-CE2 3.69Å; M407-Y553 HydrophobicContact SD-CE2 4.48Å
408	A	98.7	Very high	98	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	105.7	-175.2	0	0	0	0	0	108.8	Y396 V406 H443 I453 I455 W456 S457	Y396-A408 HydrophobicContact CE1-CB 4.01Å; V406-A408 HydrophobicContact CG1-CB 4.08Å; A408-H443 VanDerWaalsContact C-CE1 3.5Å; A408-H443 PolarHBondContact O-CE1 3.29Å; A408-I453 HydrophobicContact CB-CD1 3.97Å; A408-I453 HydrophobicContact CB-CG1 4.2Å; A408-I453 HydrophobicContact CB-CG2 3.72Å; A408-I455 PolarHBondContact N-O 2.77Å; A408-W456 HydrophobicContact CB-CE3 3.74Å; A408-W456 HydrophobicContact CB-CZ3 3.7Å; A408-S457 PolarHBondContact O-N 3.21Å
409	E	98.7	Very high	97.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.9	-177.8	-167	152.2	78.4	0	0	113.2	R385 T386 H388 Y389 P390 M407 H443 S457	R385-E409 IonicContact CZ-OE1 3.08Å; R385-E409 IonicContact CZ-OE2 3.24Å; R385-E409 VanDerWaalsContact CZ-OE2 3.28Å; R385-E409 VanDerWaalsContact NE-CD 3.3Å; R385-E409 IonicContact NE-OE1 3.24Å; R385-E409 PolarHBondContact NE-OE1 3.31Å; R385-E409 VanDerWaalsContact NE-OE1 3.12Å; R385-E409 IonicContact NE-OE2 3.95Å; R385-E409 PolarHBondContact NE-OE2 3.33Å; R385-E409 IonicContact NH2-OE1 2.7Å; R385-E409 PolarHBondContact NH2-OE1 3.15Å; R385-E409 IonicContact NH2-OE2 2.85Å; R385-E409 PolarHBondContact NH2-OE2 2.67Å; T386-E409 WeakPolarHBondContact O-CB 3.47Å; T386-E409 PolarHBondContact OG1-N 3.35Å; H388-E409 VanDerWaalsContact CA-OE1 3.29Å; H388-E409 WeakPolarHBondContact CA-OE1 3.45Å; H388-E409 IonicContact CE1-OE1 2.67Å; H388-E409 IonicContact CG-OE1 3.98Å; H388-E409 IonicContact ND1-OE1 3.05Å; H388-E409 PolarHBondContact ND1-OE1 3.31Å; Y389-E409 CarbonylContact C-O 3.41Å; Y389-E409 WeakPolarHBondContact CA-O 3.29Å; P390-E409 WeakPolarHBondContact CD-O 3.42Å; P390-E409 VanDerWaalsContact N-O 3.13Å; M407-E409 PolarHBondContact O-N 3.03Å; E409-H443 VanDerWaalsContact C-CE1 3.48Å; E409-H443 PolarHBondContact O-CE1 3.4Å; E409-S457 VanDerWaalsContact OE2-CB 3.25Å; E409-S457 WeakPolarHBondContact OE2-CB 3.27Å; E409-S457 PolarHBondContact OE2-OG 3.07Å
410	T	98.7	Very high	97.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.			trans	-82.3	145	-179.2	-57.1	0	0	0	0	109.7	V412 R439 I440 H443 S457 M471	T410-V412 HydrophobicContact CG2-CG2 4.2Å; T410-V412 PolarHBondContact O-N 2.95Å; T410-R439 HydrophobicContact CG2-CB 3.72Å; T410-I440 HydrophobicContact CG2-CB 4.07Å; T410-I440 WeakPolarHBondContact OG1-CD1 3.25Å; T410-H443 PolarHBondContact OG1-ND1 3.33Å; T410-S457 WeakPolarHBondContact CB-O 3.38Å; T410-S457 PolarHBondContact N-O 3.35Å; T410-S457 PolarHBondContact OG1-O 2.88Å; T410-M471 HydrophobicContact CG2-CE 3.86Å
411	D	97.8	Very high	97.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-68.4	68.8	-176.9	-170.9	19.1	0	0	0	111.4	R167 Q201 H388 R439	R167-D411 HydrophobicContact CB-CB 4.47Å; R167-D411 VanDerWaalsContact CD-CG 3.5Å; R167-D411 VanDerWaalsContact CD-OD1 3.24Å; R167-D411 WeakPolarHBondContact CD-OD1 3.49Å; R167-D411 WeakPolarHBondContact CD-OD2 3.48Å; R167-D411 PolarHBondContact N-OD2 3.17Å; Q201-D411 PolarHBondContact NE2-OD1 2.81Å; H388-D411 WeakPolarHBondContact O-CA 3.27Å; D411-R439 WeakPolarHBondContact O-CD 3.27Å; D411-R439 PolarHBondContact O-NE 2.98Å; D411-R439 PolarHBondContact O-NH1 3.19Å; D411-R439 IonicContact OD1-NH1 2.8Å; D411-R439 IonicContact OD2-NH1 3.99Å; D411-R439 PolarHBondContact OD2-NH1 3.23Å
412	V	98.2	Very high	97.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.121	C	C	.	.			trans	-142.2	105.8	-178	173	0	0	0	0	108.2	V198 T410 Y436 R439 G459 N460 M471	V198-V412 WeakPolarHBondContact O-CA 3.38Å; T410-V412 HydrophobicContact CG2-CG2 4.2Å; T410-V412 PolarHBondContact O-N 2.95Å; V412-Y436 HydrophobicContact CG1-CD1 3.95Å; V412-Y436 HydrophobicContact CG1-CE1 3.55Å; V412-Y436 HydrophobicContact CG2-CD1 4.49Å; V412-R439 HydrophobicContact CG2-CB 4.38Å; V412-G459 CarbonylContact O-C 3.59Å; V412-G459 WeakPolarHBondContact O-CA 3.09Å; V412-N460 PolarHBondContact O-N 2.84Å; V412-M471 HydrophobicContact CG2-CE 4Å
413	E	97.6	Very high	97.3	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	129.3	167.8	-165.3	167.9	-175	0	0	109.5	V198 E199 D200 Q201 H388 H415 N460 S462	V198-E413 CarbonylContact C-O 3.58Å; V198-E413 WeakPolarHBondContact CA-O 3.18Å; V198-E413 PolarHBondContact O-N 3.17Å; E199-E413 PolarHBondContact N-O 3.28Å; D200-E413 PolarHBondContact N-O 3.21Å; D200-E413 VanDerWaalsContact O-CD 3.32Å; D200-E413 WeakPolarHBondContact O-CG 3.03Å; Q201-E413 WeakPolarHBondContact CA-OE2 3.41Å; Q201-E413 WeakPolarHBondContact CB-OE2 3.29Å; Q201-E413 HydrophobicContact CG-CB 3.86Å; Q201-E413 WeakPolarHBondContact CG-OE2 3.5Å; H388-E413 VanDerWaalsContact CB-OE2 3.24Å; H388-E413 WeakPolarHBondContact CB-OE2 3.33Å; H388-E413 IonicContact CD2-OE1 3.26Å; H388-E413 IonicContact CD2-OE2 2.72Å; H388-E413 PolarHBondContact CD2-OE2 3.29Å; H388-E413 IonicContact CG-OE2 2.81Å; H388-E413 IonicContact NE2-OE2 2.88Å; E413-H415 HydrophobicContact CG-CB 4.3Å; E413-N460 WeakPolarHBondContact CA-O 3.46Å; E413-N460 HydrophobicContact CG-CB 4.21Å; E413-N460 PolarHBondContact OE1-ND2 3.03Å; E413-S462 VanDerWaalsContact CA-OG 3.26Å; E413-S462 WeakPolarHBondContact CA-OG 3.12Å
414	S	96.9	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	37.4	-174.3	55.6	0	0	0	0	110.2	Y197 G416 F417 E461 S462	Y197-S414 WeakPolarHBondContact O-CB 3.42Å; S414-G416 VanDerWaalsContact C-N 3.26Å; S414-G416 PolarHBondContact O-N 3.4Å; S414-F417 WeakPolarHBondContact O-CD2 3.38Å; S414-F417 PolarHBondContact O-N 3.36Å; S414-E461 CarbonylContact C-O 3.57Å; S414-S462 PolarHBondContact N-OG 3.26Å; S414-S462 VanDerWaalsContact OG-CA 3.29Å; S414-S462 WeakPolarHBondContact OG-CA 3.4Å; S414-S462 WeakPolarHBondContact OG-CB 3.41Å; S414-S462 PolarHBondContact OG-OG 2.81Å
415	H	94.7	Very high	97.3	Very high	26 Å²	26	25.7 Å²	25.7	12%	0.12	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-58	-37.9	-170.8	-166.5	174.1	0	0	0	111.9	E105 E413 F417 A418 E461	E105-H415 HydrophobicContact CG-CB 4.49Å; E413-H415 HydrophobicContact CG-CB 4.3Å; H415-F417 PolarHBondContact O-N 2.95Å; H415-A418 WeakPolarHBondContact O-CB 3.39Å; H415-A418 PolarHBondContact O-N 3.22Å; H415-E461 WeakPolarHBondContact CA-O 3.37Å; H415-E461 HydrophobicContact CB-CB 4.1Å; H415-E461 VanDerWaalsContact CE1-CD 3.44Å; H415-E461 IonicContact CE1-OE1 3.78Å; H415-E461 IonicContact CE1-OE2 3.12Å; H415-E461 PolarHBondContact CE1-OE2 2.95Å; H415-E461 IonicContact CG-OE2 3.8Å; H415-E461 PolarHBondContact N-O 2.69Å; H415-E461 IonicContact ND1-OE2 2.93Å; H415-E461 PolarHBondContact ND1-OE2 2.89Å
416	G	95.8	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-61.7	-8.7	-178.9	0	0	0	0	0	116	E105 I111 D200 S414 A418 N419	E105-G416 WeakPolarHBondContact O-CA 3.28Å; E105-G416 PolarHBondContact O-N 2.78Å; I111-G416 WeakPolarHBondContact CD1-O 3.14Å; D200-G416 WeakPolarHBondContact OD2-CA 3.41Å; D200-G416 PolarHBondContact OD2-N 3.12Å; S414-G416 VanDerWaalsContact C-N 3.26Å; S414-G416 PolarHBondContact O-N 3.4Å; G416-A418 VanDerWaalsContact C-N 3.27Å; G416-N419 WeakPolarHBondContact O-CB 3.38Å; G416-N419 PolarHBondContact O-N 3.42Å
417	F	97.6	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-73.3	-17.7	165.9	-70.6	-76.8	0	0	0	113.5	F107 I111 V113 Y197 S414 H415 N419 V420 G421 D422 R425 I426	F107-F417 HydrophobicContact CE2-CD2 4.16Å; F107-F417 HydrophobicContact CE2-CE2 4.04Å; F107-F417 HydrophobicContact CE2-CZ 4.39Å; F107-F417 HydrophobicContact CZ-CD2 4.35Å; F107-F417 HydrophobicContact CZ-CE2 4.01Å; I111-F417 HydrophobicContact CG2-CD1 4.16Å; I111-F417 HydrophobicContact CG2-CE1 3.6Å; I111-F417 HydrophobicContact CG2-CZ 4.4Å; V113-F417 HydrophobicContact CG2-CE1 3.68Å; V113-F417 HydrophobicContact CG2-CZ 3.61Å; Y197-F417 HydrophobicContact CD1-CE2 4.2Å; Y197-F417 AromaticContact CD1-CZ 3.73Å; Y197-F417 HydrophobicContact CD1-CZ 3.73Å; Y197-F417 HydrophobicContact CE1-CZ 4.43Å; Y197-F417 HydrophobicContact CG-CZ 4.28Å; S414-F417 WeakPolarHBondContact O-CD2 3.38Å; S414-F417 PolarHBondContact O-N 3.36Å; H415-F417 PolarHBondContact O-N 2.95Å; F417-N419 VanDerWaalsContact C-N 3.28Å; F417-N419 PolarHBondContact O-N 3.36Å; F417-V420 HydrophobicContact CB-CG2 4.41Å; F417-V420 HydrophobicContact CD1-CG2 4.17Å; F417-V420 WeakPolarHBondContact O-CG2 3.11Å; F417-V420 PolarHBondContact O-N 3.45Å; F417-V420 VanDerWaalsContact O-N 3.16Å; F417-G421 PolarHBondContact O-N 3.01Å; F417-D422 WeakPolarHBondContact CB-O 3.31Å; F417-D422 CarbonylContact O-C 3.48Å; F417-D422 PolarHBondContact O-N 3.09Å; F417-R425 HydrophobicContact CD1-CB 3.94Å; F417-R425 HydrophobicContact CD1-CG 4.35Å; F417-R425 HydrophobicContact CE1-CB 4.42Å; F417-R425 HydrophobicContact CE1-CG 4.43Å; F417-R425 HydrophobicContact CG-CB 4.32Å; F417-I426 HydrophobicContact CD2-CD1 4.26Å; F417-I426 HydrophobicContact CD2-CG1 4.05Å; F417-I426 HydrophobicContact CE1-CG2 4.25Å; F417-I426 HydrophobicContact CE2-CD1 3.44Å; F417-I426 VanDerWaalsContact CE2-CD1 3.44Å; F417-I426 HydrophobicContact CE2-CG1 3.58Å; F417-I426 HydrophobicContact CE2-CG2 4.16Å; F417-I426 HydrophobicContact CZ-CD1 4.01Å; F417-I426 HydrophobicContact CZ-CG1 4.08Å; F417-I426 HydrophobicContact CZ-CG2 3.74Å
418	A	95.7	Very high	97.1	Very high	37 Å²	37	29.9 Å²	29.9	31%	0.306	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-61.2	-37.2	170	0	0	0	0	0	111.7	E105 H415 G416 V420 G421 I423	E105-A418 VanDerWaalsContact OE1-CB 3.27Å; E105-A418 WeakPolarHBondContact OE1-CB 3.36Å; H415-A418 WeakPolarHBondContact O-CB 3.39Å; H415-A418 PolarHBondContact O-N 3.22Å; G416-A418 VanDerWaalsContact C-N 3.27Å; A418-V420 PolarHBondContact O-N 2.83Å; A418-V420 VanDerWaalsContact O-N 3.09Å; A418-G421 WeakPolarHBondContact O-CA 3.37Å; A418-G421 PolarHBondContact O-N 3.38Å; A418-I423 HydrophobicContact CB-CB 4.19Å; A418-I423 HydrophobicContact CB-CD1 4.27Å; A418-I423 HydrophobicContact CB-CG1 4.28Å
419	N	94.5	Very high	97.1	Very high	97 Å²	97	32.2 Å²	32.2	52%	0.519	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-59.1	-20.4	173.4	-81	-53.5	0	0	0	114.9	E105 G416 F417	E105-N419 WeakPolarHBondContact CG-ND2 3.48Å; E105-N419 PolarHBondContact OE1-N 2.88Å; E105-N419 PolarHBondContact OE1-ND2 3.03Å; G416-N419 WeakPolarHBondContact O-CB 3.38Å; G416-N419 PolarHBondContact O-N 3.42Å; F417-N419 VanDerWaalsContact C-N 3.28Å; F417-N419 PolarHBondContact O-N 3.36Å
420	V	95.3	Very high	97.1	Very high	63 Å²	63	36.4 Å²	36.4	38%	0.382	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-105.6	12.7	174.1	-65.3	0	0	0	0	113.2	I111 F417 A418 D422	I111-V420 HydrophobicContact CD1-CG1 3.69Å; I111-V420 HydrophobicContact CD1-CG2 4.22Å; F417-V420 HydrophobicContact CB-CG2 4.41Å; F417-V420 HydrophobicContact CD1-CG2 4.17Å; F417-V420 WeakPolarHBondContact O-CG2 3.11Å; F417-V420 PolarHBondContact O-N 3.45Å; F417-V420 VanDerWaalsContact O-N 3.16Å; A418-V420 PolarHBondContact O-N 2.83Å; A418-V420 VanDerWaalsContact O-N 3.09Å; V420-D422 VanDerWaalsContact C-N 3.34Å; V420-D422 PolarHBondContact O-N 2.64Å
421	G	96.7	Very high	97.1	Very high	76 Å²	76	42.2 Å²	42.2	78%	0.784	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	16.8	174.1	0	0	0	0	0	114.9	F417 A418	F417-G421 PolarHBondContact O-N 3.01Å; A418-G421 WeakPolarHBondContact O-CA 3.37Å; A418-G421 PolarHBondContact O-N 3.38Å
422	D	96.9	Very high	97.1	Very high	69 Å²	69	42.3 Å²	42.3	37%	0.369	25%	0.246	S	C	.	.			trans	-151.4	68.8	-174	-178.2	22	0	0	0	111	F417 V420 S424 R425	F417-D422 WeakPolarHBondContact CB-O 3.31Å; F417-D422 CarbonylContact O-C 3.48Å; F417-D422 PolarHBondContact O-N 3.09Å; V420-D422 VanDerWaalsContact C-N 3.34Å; V420-D422 PolarHBondContact O-N 2.64Å; D422-S424 PolarHBondContact O-N 2.52Å; D422-R425 HydrophobicContact CB-CB 4.5Å; D422-R425 VanDerWaalsContact O-CB 3.27Å; D422-R425 WeakPolarHBondContact O-CB 3.4Å; D422-R425 PolarHBondContact O-N 2.87Å; D422-R425 WeakPolarHBondContact OD2-CB 3.02Å; D422-R425 IonicContact OD2-NE 2.9Å; D422-R425 PolarHBondContact OD2-NE 2.89Å
423	I	96.6	Very high	97.1	Very high	42 Å²	42	46.7 Å²	46.7	22%	0.215	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.8	-178.7	-165.6	177.2	0	0	0	113	A418 R425	A418-I423 HydrophobicContact CB-CB 4.19Å; A418-I423 HydrophobicContact CB-CD1 4.27Å; A418-I423 HydrophobicContact CB-CG1 4.28Å; I423-R425 VanDerWaalsContact C-N 3.26Å; I423-R425 PolarHBondContact O-N 2.87Å
424	S	97.9	Very high	97.1	Very high	32 Å²	32	51.1 Å²	51.1	22%	0.224	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.3	178.6	-73	0	0	0	0	114.3	D422 I426 T427 D428 Y464	D422-S424 PolarHBondContact O-N 2.52Å; S424-I426 PolarHBondContact O-N 3.01Å; S424-I426 VanDerWaalsContact O-N 3.16Å; S424-T427 PolarHBondContact O-N 2.83Å; S424-T427 VanDerWaalsContact O-N 3.08Å; S424-D428 PolarHBondContact O-N 2.95Å; S424-Y464 WeakPolarHBondContact CB-O 3.36Å; S424-Y464 PolarHBondContact OG-N 3.3Å; S424-Y464 PolarHBondContact OG-O 2.94Å
425	R	97.5	Very high	97.1	Very high	94 Å²	94	51.3 Å²	51.3	36%	0.355	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-53.1	-167.1	-179.2	171.4	-65.6	171.7	5.2	114.6	F417 D422 I423	F417-R425 HydrophobicContact CD1-CB 3.94Å; F417-R425 HydrophobicContact CD1-CG 4.35Å; F417-R425 HydrophobicContact CE1-CB 4.42Å; F417-R425 HydrophobicContact CE1-CG 4.43Å; F417-R425 HydrophobicContact CG-CB 4.32Å; D422-R425 HydrophobicContact CB-CB 4.5Å; D422-R425 VanDerWaalsContact O-CB 3.27Å; D422-R425 WeakPolarHBondContact O-CB 3.4Å; D422-R425 PolarHBondContact O-N 2.87Å; D422-R425 WeakPolarHBondContact OD2-CB 3.02Å; D422-R425 IonicContact OD2-NE 2.9Å; D422-R425 PolarHBondContact OD2-NE 2.89Å; I423-R425 VanDerWaalsContact C-N 3.26Å; I423-R425 PolarHBondContact O-N 2.87Å
426	I	97.7	Very high	97.3	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-22.3	180	60	163.4	0	0	0	112.5	V113 V198 F417 S424 D428 D429 W432 Y436 N467	V113-I426 HydrophobicContact CG1-CG2 4.14Å; V113-I426 HydrophobicContact CG2-CG2 4.33Å; V198-I426 HydrophobicContact CG1-CD1 3.45Å; V198-I426 VanDerWaalsContact CG1-CD1 3.45Å; F417-I426 HydrophobicContact CD2-CD1 4.26Å; F417-I426 HydrophobicContact CD2-CG1 4.05Å; F417-I426 HydrophobicContact CE1-CG2 4.25Å; F417-I426 HydrophobicContact CE2-CD1 3.44Å; F417-I426 VanDerWaalsContact CE2-CD1 3.44Å; F417-I426 HydrophobicContact CE2-CG1 3.58Å; F417-I426 HydrophobicContact CE2-CG2 4.16Å; F417-I426 HydrophobicContact CZ-CD1 4.01Å; F417-I426 HydrophobicContact CZ-CG1 4.08Å; F417-I426 HydrophobicContact CZ-CG2 3.74Å; S424-I426 PolarHBondContact O-N 3.01Å; S424-I426 VanDerWaalsContact O-N 3.16Å; I426-D428 VanDerWaalsContact C-N 3.32Å; I426-D428 PolarHBondContact O-N 3.5Å; I426-D429 PolarHBondContact O-N 2.99Å; I426-W432 HydrophobicContact CB-CD2 3.94Å; I426-W432 HydrophobicContact CB-CG 3.98Å; I426-W432 HydrophobicContact CD1-CD2 4.34Å; I426-W432 HydrophobicContact CD1-CE3 4.1Å; I426-W432 HydrophobicContact CD1-CH2 4.49Å; I426-W432 HydrophobicContact CD1-CZ3 4.16Å; I426-W432 HydrophobicContact CG2-CD2 4.24Å; I426-W432 HydrophobicContact CG2-CG 4.48Å; I426-W432 HydrophobicContact CG2-CZ2 4.23Å; I426-W432 WeakPolarHBondContact O-CB 3.22Å; I426-Y436 WeakPolarHBondContact CG1-OH 3.39Å; I426-N467 PolarHBondContact O-ND2 2.83Å
427	T	98.3	Very high	97.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-28.2	176.6	-60.1	0	0	0	0	112.8	S424 Y436 S462 G465 N467 I468	S424-T427 PolarHBondContact O-N 2.83Å; S424-T427 VanDerWaalsContact O-N 3.08Å; T427-Y436 HydrophobicContact CG2-CE1 4.14Å; T427-Y436 PolarHBondContact OG1-OH 3.11Å; T427-S462 WeakPolarHBondContact CB-O 3.19Å; T427-S462 WeakPolarHBondContact CG2-O 3.26Å; T427-S462 PolarHBondContact OG1-O 2.92Å; T427-G465 CarbonylContact O-C 3.4Å; T427-N467 WeakPolarHBondContact O-CB 3.38Å; T427-N467 PolarHBondContact O-N 3.46Å; T427-N467 VanDerWaalsContact O-N 3.09Å; T427-N467 PolarHBondContact O-ND2 3.24Å; T427-I468 HydrophobicContact CG2-CD1 3.96Å; T427-I468 HydrophobicContact CG2-CG1 3.49Å; T427-I468 VanDerWaalsContact CG2-CG1 3.49Å
428	D	98.4	Very high	97.5	Very high	88 Å²	88	52.8 Å²	52.8	47%	0.471	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	8.3	173.5	-156.9	40.9	0	0	0	113.5	S424 I426 P430 G465 C466	S424-D428 PolarHBondContact O-N 2.95Å; I426-D428 VanDerWaalsContact C-N 3.32Å; I426-D428 PolarHBondContact O-N 3.5Å; D428-P430 WeakPolarHBondContact O-CD 3.32Å; D428-G465 WeakPolarHBondContact OD1-CA 3.03Å; D428-C466 PolarHBondContact OD1-N 3.33Å
429	D	98.3	Very high	97.6	Very high	50 Å²	50	51.3 Å²	51.3	27%	0.267	28%	0.283	S	S	.	.			trans	-92	113.3	173	-177	-5.4	0	0	0	110.6	I426 Q431 W432 N467	I426-D429 PolarHBondContact O-N 2.99Å; D429-Q431 PolarHBondContact O-N 2.97Å; D429-Q431 WeakPolarHBondContact OD1-CB 3.32Å; D429-Q431 WeakPolarHBondContact OD1-CG 3.44Å; D429-Q431 PolarHBondContact OD1-N 2.94Å; D429-W432 WeakPolarHBondContact O-CB 3.32Å; D429-W432 PolarHBondContact O-N 3.44Å; D429-N467 PolarHBondContact O-ND2 2.86Å
430	P	98.3	Very high	97.8	Very high	87 Å²	87	46.7 Å²	46.7	57%	0.565	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-59.4	-19.4	178.8	-23.4	33.8	0	0	0	114.4	D428 W432 E433	D428-P430 WeakPolarHBondContact O-CD 3.32Å; P430-W432 PolarHBondContact O-N 3.32Å; P430-E433 WeakPolarHBondContact O-CB 3.47Å; P430-E433 PolarHBondContact O-N 3.49Å
431	Q	97.7	Very high	98	Very high	122 Å²	122	45.4 Å²	45.4	57%	0.57	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-65	-24.2	174.7	-62.2	-167	25.3	0	0	112.5	I19 Q20 D429	I19-Q431 HydrophobicContact CD1-CB 3.84Å; Q20-Q431 PolarHBondContact NE2-O 3.36Å; D429-Q431 PolarHBondContact O-N 2.97Å; D429-Q431 WeakPolarHBondContact OD1-CB 3.32Å; D429-Q431 WeakPolarHBondContact OD1-CG 3.44Å; D429-Q431 PolarHBondContact OD1-N 2.94Å
432	W	98.2	Very high	98.1	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.011	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-89.5	-7.1	179.3	-74.7	79.5	0	0	0	113.9	I19 V113 D194 Y197 V198 I426 D429 P430 K434 V435 Y436 N467	I19-W432 HydrophobicContact CB-CZ2 4.5Å; I19-W432 HydrophobicContact CG2-CD2 4.39Å; I19-W432 HydrophobicContact CG2-CE3 4.47Å; I19-W432 HydrophobicContact CG2-CH2 3.56Å; I19-W432 HydrophobicContact CG2-CZ2 3.39Å; I19-W432 HydrophobicContact CG2-CZ3 4.12Å; V113-W432 HydrophobicContact CG1-CH2 4.25Å; V113-W432 HydrophobicContact CG1-CZ2 3.25Å; D194-W432 HydrophobicContact CB-CH2 4.31Å; D194-W432 WeakPolarHBondContact O-CH2 3.45Å; Y197-W432 HydrophobicContact CD2-CH2 4.37Å; V198-W432 HydrophobicContact CG1-CE3 3.99Å; V198-W432 HydrophobicContact CG1-CZ3 3.87Å; I426-W432 HydrophobicContact CB-CD2 3.94Å; I426-W432 HydrophobicContact CB-CG 3.98Å; I426-W432 HydrophobicContact CD1-CD2 4.34Å; I426-W432 HydrophobicContact CD1-CE3 4.1Å; I426-W432 HydrophobicContact CD1-CH2 4.49Å; I426-W432 HydrophobicContact CD1-CZ3 4.16Å; I426-W432 HydrophobicContact CG2-CD2 4.24Å; I426-W432 HydrophobicContact CG2-CG 4.48Å; I426-W432 HydrophobicContact CG2-CZ2 4.23Å; I426-W432 WeakPolarHBondContact O-CB 3.22Å; D429-W432 WeakPolarHBondContact O-CB 3.32Å; D429-W432 PolarHBondContact O-N 3.44Å; P430-W432 PolarHBondContact O-N 3.32Å; W432-K434 PolarHBondContact O-N 3.31Å; W432-K434 VanDerWaalsContact O-N 3.09Å; W432-V435 HydrophobicContact CE3-CB 4.12Å; W432-V435 HydrophobicContact CE3-CG1 4.16Å; W432-V435 HydrophobicContact CE3-CG2 4.12Å; W432-V435 HydrophobicContact CZ3-CG1 4.31Å; W432-V435 HydrophobicContact CZ3-CG2 4.49Å; W432-V435 WeakPolarHBondContact O-CA 3.42Å; W432-V435 WeakPolarHBondContact O-CB 3.14Å; W432-V435 PolarHBondContact O-N 3.25Å; W432-Y436 HydrophobicContact CB-CD2 4.04Å; W432-Y436 HydrophobicContact CB-CE2 4.01Å; W432-Y436 HydrophobicContact CE3-CE2 4.26Å; W432-Y436 WeakPolarHBondContact O-CD2 3.43Å; W432-Y436 PolarHBondContact O-N 3.07Å; W432-N467 WeakPolarHBondContact CB-ND2 3.29Å
433	E	98.4	Very high	98.1	Very high	92 Å²	92	39 Å²	39	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-50.3	-44.5	-175	-171.6	-174.6	119.5	0	0	112.3	P430 V435 Y436 V437 N467 A470	P430-E433 WeakPolarHBondContact O-CB 3.47Å; P430-E433 PolarHBondContact O-N 3.49Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.19Å; E433-Y436 PolarHBondContact O-N 2.96Å; E433-V437 HydrophobicContact CG-CG2 3.93Å; E433-V437 WeakPolarHBondContact O-CB 3.42Å; E433-V437 VanDerWaalsContact O-CG2 3.31Å; E433-V437 WeakPolarHBondContact O-CG2 3.45Å; E433-V437 PolarHBondContact O-N 3.2Å; E433-N467 WeakPolarHBondContact CA-OD1 3.49Å; E433-N467 WeakPolarHBondContact CB-OD1 3.48Å; E433-N467 PolarHBondContact N-OD1 3.19Å; E433-A470 HydrophobicContact CG-CB 3.79Å
434	K	97.8	Very high	98.2	Very high	93 Å²	93	37 Å²	37	40%	0.404	19%	0.187	S	C	.	.	H	α-helix	trans	-61.1	-39.6	179.1	-176.2	178.8	175.3	-177.3	0	112.7	Q20 T22 W432 E438	Q20-K434 PolarHBondContact O-NZ 3.15Å; T22-K434 HydrophobicContact CG2-CG 4.49Å; W432-K434 PolarHBondContact O-N 3.31Å; W432-K434 VanDerWaalsContact O-N 3.09Å; K434-E438 WeakPolarHBondContact O-CB 3.28Å; K434-E438 PolarHBondContact O-N 3.07Å; K434-E438 VanDerWaalsContact O-N 3.11Å
435	V	98.1	Very high	98.3	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-46.3	179.2	178.1	0	0	0	0	109.9	I19 T22 V198 W432 E433 R439	I19-V435 HydrophobicContact CB-CG2 4.31Å; I19-V435 WeakPolarHBondContact O-CG2 3.4Å; T22-V435 HydrophobicContact CG2-CG2 4.12Å; V198-V435 HydrophobicContact CG2-CG1 3.95Å; W432-V435 HydrophobicContact CE3-CB 4.12Å; W432-V435 HydrophobicContact CE3-CG1 4.16Å; W432-V435 HydrophobicContact CE3-CG2 4.12Å; W432-V435 HydrophobicContact CZ3-CG1 4.31Å; W432-V435 HydrophobicContact CZ3-CG2 4.49Å; W432-V435 WeakPolarHBondContact O-CA 3.42Å; W432-V435 WeakPolarHBondContact O-CB 3.14Å; W432-V435 PolarHBondContact O-N 3.25Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.19Å; V435-R439 WeakPolarHBondContact O-CD 3.37Å; V435-R439 VanDerWaalsContact O-CG 3.28Å; V435-R439 WeakPolarHBondContact O-CG 3.48Å
436	Y	98.6	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-54	-179.6	-82.4	-111	0	0	0	111.9	V198 V412 I426 T427 W432 E433 E438 R439 N467 M471	V198-Y436 HydrophobicContact CG1-CE2 3.68Å; V412-Y436 HydrophobicContact CG1-CD1 3.95Å; V412-Y436 HydrophobicContact CG1-CE1 3.55Å; V412-Y436 HydrophobicContact CG2-CD1 4.49Å; I426-Y436 WeakPolarHBondContact CG1-OH 3.39Å; T427-Y436 HydrophobicContact CG2-CE1 4.14Å; T427-Y436 PolarHBondContact OG1-OH 3.11Å; W432-Y436 HydrophobicContact CB-CD2 4.04Å; W432-Y436 HydrophobicContact CB-CE2 4.01Å; W432-Y436 HydrophobicContact CE3-CE2 4.26Å; W432-Y436 WeakPolarHBondContact O-CD2 3.43Å; W432-Y436 PolarHBondContact O-N 3.07Å; E433-Y436 PolarHBondContact O-N 2.96Å; Y436-E438 VanDerWaalsContact C-N 3.35Å; Y436-E438 PolarHBondContact O-N 3.18Å; Y436-R439 PolarHBondContact O-N 2.85Å; Y436-N467 HydrophobicContact CD1-CB 3.84Å; Y436-N467 HydrophobicContact CD2-CB 4.13Å; Y436-N467 HydrophobicContact CE1-CB 4.42Å; Y436-N467 HydrophobicContact CG-CB 3.69Å; Y436-M471 HydrophobicContact CD1-SD 3.6Å; Y436-M471 VanDerWaalsContact CD1-SD 3.6Å; Y436-M471 HydrophobicContact CG-SD 4.13Å
437	V	98.6	Very high	98.3	Very high	30 Å²	30	33.9 Å²	33.9	18%	0.182	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-39.6	-175.7	173.2	0	0	0	0	111.7	E433 R439 I440 V441 A470 M471 A474	E433-V437 HydrophobicContact CG-CG2 3.93Å; E433-V437 WeakPolarHBondContact O-CB 3.42Å; E433-V437 VanDerWaalsContact O-CG2 3.31Å; E433-V437 WeakPolarHBondContact O-CG2 3.45Å; E433-V437 PolarHBondContact O-N 3.2Å; V437-R439 VanDerWaalsContact C-N 3.29Å; V437-R439 PolarHBondContact O-N 2.7Å; V437-I440 WeakPolarHBondContact O-CG2 3.36Å; V437-I440 PolarHBondContact O-N 3.42Å; V437-V441 HydrophobicContact CG1-CG2 4Å; V437-V441 WeakPolarHBondContact O-CB 3.34Å; V437-V441 WeakPolarHBondContact O-CG2 3.39Å; V437-V441 PolarHBondContact O-N 3.43Å; V437-A470 HydrophobicContact CG2-CB 3.61Å; V437-M471 HydrophobicContact CG2-CG 4.37Å; V437-A474 HydrophobicContact CG1-CB 3.84Å
438	E	98	Very high	98.3	Very high	27 Å²	27	34.6 Å²	34.6	13%	0.126	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-38.4	178.7	-174.6	-165.1	123.8	0	0	112.3	T22 H23 R26 K434 Y436 V441 R442	T22-E438 WeakPolarHBondContact CB-OE2 3.3Å; T22-E438 PolarHBondContact OG1-OE2 3.04Å; H23-E438 IonicContact CE1-OE2 3.44Å; H23-E438 IonicContact ND1-OE2 2.89Å; R26-E438 IonicContact CZ-OE1 3.26Å; R26-E438 VanDerWaalsContact CZ-OE1 3.23Å; R26-E438 IonicContact NH1-OE1 2.71Å; R26-E438 PolarHBondContact NH1-OE1 2.96Å; R26-E438 IonicContact NH2-OE1 3.26Å; R26-E438 PolarHBondContact NH2-OE1 3.15Å; R26-E438 IonicContact NH2-OE2 3.27Å; R26-E438 PolarHBondContact NH2-OE2 3.01Å; K434-E438 WeakPolarHBondContact O-CB 3.28Å; K434-E438 PolarHBondContact O-N 3.07Å; K434-E438 VanDerWaalsContact O-N 3.11Å; Y436-E438 VanDerWaalsContact C-N 3.35Å; Y436-E438 PolarHBondContact O-N 3.18Å; E438-V441 PolarHBondContact O-N 3.26Å; E438-R442 HydrophobicContact CG-CG 4.1Å; E438-R442 WeakPolarHBondContact O-CB 3.49Å; E438-R442 VanDerWaalsContact O-CG 3.28Å; E438-R442 WeakPolarHBondContact O-CG 3.15Å; E438-R442 PolarHBondContact O-N 2.89Å; E438-R442 VanDerWaalsContact OE1-CD 3.3Å; E438-R442 WeakPolarHBondContact OE1-CD 3.46Å; E438-R442 IonicContact OE1-CZ 3.43Å; E438-R442 IonicContact OE1-NH1 3.71Å; E438-R442 PolarHBondContact OE1-NH1 3.09Å
439	R	98.6	Very high	98.3	Very high	6 Å²	6	31 Å²	31	2%	0.023	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-48.8	-178.1	-71.8	165.3	170.4	-74.2	-2	111.5	L168 V198 E199 T410 D411 V412 V435 Y436 V437 R442 H443	L168-R439 HydrophobicContact CD1-CB 4Å; L168-R439 HydrophobicContact CD1-CG 3.84Å; V198-R439 VanDerWaalsContact CG2-NH2 3.29Å; E199-R439 IonicContact OE1-CZ 2.87Å; E199-R439 IonicContact OE1-NH1 2.86Å; E199-R439 PolarHBondContact OE1-NH1 2.93Å; E199-R439 VanDerWaalsContact OE1-NH1 3.12Å; E199-R439 IonicContact OE1-NH2 3.07Å; E199-R439 PolarHBondContact OE1-NH2 3.02Å; T410-R439 HydrophobicContact CG2-CB 3.72Å; D411-R439 WeakPolarHBondContact O-CD 3.27Å; D411-R439 PolarHBondContact O-NE 2.98Å; D411-R439 PolarHBondContact O-NH1 3.19Å; D411-R439 IonicContact OD1-NH1 2.8Å; D411-R439 IonicContact OD2-NH1 3.99Å; D411-R439 PolarHBondContact OD2-NH1 3.23Å; V412-R439 HydrophobicContact CG2-CB 4.38Å; V435-R439 WeakPolarHBondContact O-CD 3.37Å; V435-R439 VanDerWaalsContact O-CG 3.28Å; V435-R439 WeakPolarHBondContact O-CG 3.48Å; Y436-R439 PolarHBondContact O-N 2.85Å; V437-R439 VanDerWaalsContact C-N 3.29Å; V437-R439 PolarHBondContact O-N 2.7Å; R439-R442 PolarHBondContact O-N 2.89Å; R439-H443 VanDerWaalsContact O-CB 3.3Å; R439-H443 WeakPolarHBondContact O-CB 3.41Å; R439-H443 PolarHBondContact O-N 2.82Å
440	I	98.7	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.2	-39.6	177	-177.3	63.8	0	0	0	111.9	T410 V437 R442 H443 I444 W456 L458 M471 A475	T410-I440 HydrophobicContact CG2-CB 4.07Å; T410-I440 WeakPolarHBondContact OG1-CD1 3.25Å; V437-I440 WeakPolarHBondContact O-CG2 3.36Å; V437-I440 PolarHBondContact O-N 3.42Å; I440-R442 PolarHBondContact O-N 2.88Å; I440-H443 PolarHBondContact O-N 2.77Å; I440-I444 HydrophobicContact CD1-CD1 3.82Å; I440-I444 HydrophobicContact CD1-CG1 3.95Å; I440-I444 HydrophobicContact CG1-CD1 3.8Å; I440-I444 HydrophobicContact CG1-CG1 4.29Å; I440-I444 WeakPolarHBondContact O-CG1 3.47Å; I440-I444 PolarHBondContact O-N 2.84Å; I440-W456 HydrophobicContact CD1-CB 4.49Å; I440-L458 HydrophobicContact CD1-CD2 4.2Å; I440-L458 HydrophobicContact CG1-CD2 4.24Å; I440-M471 HydrophobicContact CB-CE 3.72Å; I440-M471 HydrophobicContact CG2-CB 3.87Å; I440-M471 HydrophobicContact CG2-CE 3.89Å; I440-M471 HydrophobicContact CG2-CG 3.85Å; I440-A475 HydrophobicContact CD1-CB 4.43Å; I440-A475 HydrophobicContact CG1-CB 3.93Å
441	V	98.7	Very high	98.4	Very high	36 Å²	36	25 Å²	25	22%	0.218	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-49.1	177.2	167.7	0	0	0	0	110.4	P29 V437 E438 H443 I444 H445 A474 L478	P29-V441 HydrophobicContact CG-CG1 4.31Å; V437-V441 HydrophobicContact CG1-CG2 4Å; V437-V441 WeakPolarHBondContact O-CB 3.34Å; V437-V441 WeakPolarHBondContact O-CG2 3.39Å; V437-V441 PolarHBondContact O-N 3.43Å; E438-V441 PolarHBondContact O-N 3.26Å; V441-H443 PolarHBondContact O-N 3.21Å; V441-I444 PolarHBondContact O-N 3.31Å; V441-H445 WeakPolarHBondContact O-CB 3.45Å; V441-H445 PolarHBondContact O-CD2 3.35Å; V441-H445 VanDerWaalsContact O-CD2 3.23Å; V441-H445 PolarHBondContact O-N 3.47Å; V441-A474 HydrophobicContact CG2-CB 4.11Å; V441-L478 HydrophobicContact CB-CD1 4.16Å; V441-L478 HydrophobicContact CG1-CD1 4.09Å; V441-L478 HydrophobicContact CG2-CD1 3.92Å
442	R	98.4	Very high	98.4	Very high	8 Å²	8	19.2 Å²	19.2	3%	0.03	10%	0.096	C	C	.	.	H	α-helix	trans	-63.2	-41.7	178.2	-71.9	170.9	67.2	-161.7	-0.2	111.8	P29 K164 L168 T169 E438 R439 I440 A446	P29-R442 HydrophobicContact CB-CB 4.22Å; P29-R442 HydrophobicContact CB-CG 3.93Å; P29-R442 HydrophobicContact CG-CG 3.92Å; K164-R442 PolarHBondContact O-NH1 2.87Å; L168-R442 HydrophobicContact CD1-CB 4.31Å; L168-R442 HydrophobicContact CD2-CB 4.04Å; L168-R442 PolarHBondContact O-NH2 3.39Å; T169-R442 PolarHBondContact O-NH2 2.85Å; E438-R442 HydrophobicContact CG-CG 4.1Å; E438-R442 WeakPolarHBondContact O-CB 3.49Å; E438-R442 VanDerWaalsContact O-CG 3.28Å; E438-R442 WeakPolarHBondContact O-CG 3.15Å; E438-R442 PolarHBondContact O-N 2.89Å; E438-R442 VanDerWaalsContact OE1-CD 3.3Å; E438-R442 WeakPolarHBondContact OE1-CD 3.46Å; E438-R442 IonicContact OE1-CZ 3.43Å; E438-R442 IonicContact OE1-NH1 3.71Å; E438-R442 PolarHBondContact OE1-NH1 3.09Å; R439-R442 PolarHBondContact O-N 2.89Å; I440-R442 PolarHBondContact O-N 2.88Å; R442-A446 WeakPolarHBondContact O-CB 3.48Å; R442-A446 PolarHBondContact O-N 2.99Å; R442-A446 VanDerWaalsContact O-N 3.08Å
443	H	98.6	Very high	98.4	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-52	177.9	-173.7	-170.4	0	0	0	111.6	L168 P390 Y396 A408 E409 T410 R439 I440 V441 A446 Q447 W456	L168-H443 HydrophobicContact CD2-CB 4.08Å; P390-H443 HydrophobicContact CG-CB 4.14Å; Y396-H443 PolarHBondContact OH-NE2 3.27Å; A408-H443 VanDerWaalsContact C-CE1 3.5Å; A408-H443 PolarHBondContact O-CE1 3.29Å; E409-H443 VanDerWaalsContact C-CE1 3.48Å; E409-H443 PolarHBondContact O-CE1 3.4Å; T410-H443 PolarHBondContact OG1-ND1 3.33Å; R439-H443 VanDerWaalsContact O-CB 3.3Å; R439-H443 WeakPolarHBondContact O-CB 3.41Å; R439-H443 PolarHBondContact O-N 2.82Å; I440-H443 PolarHBondContact O-N 2.77Å; V441-H443 PolarHBondContact O-N 3.21Å; H443-A446 PolarHBondContact O-N 2.85Å; H443-Q447 PolarHBondContact O-N 2.8Å; H443-Q447 VanDerWaalsContact O-N 3.13Å; H443-W456 AromaticContact NE2-CZ3 3.9Å
444	I	98.7	Very high	98.5	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-62.1	-48.8	179.3	-68.1	174.2	0	0	0	110.7	I440 V441 A446 Q447 K448 W456 A475 L478 D479	I440-I444 HydrophobicContact CD1-CD1 3.82Å; I440-I444 HydrophobicContact CD1-CG1 3.95Å; I440-I444 HydrophobicContact CG1-CD1 3.8Å; I440-I444 HydrophobicContact CG1-CG1 4.29Å; I440-I444 WeakPolarHBondContact O-CG1 3.47Å; I440-I444 PolarHBondContact O-N 2.84Å; V441-I444 PolarHBondContact O-N 3.31Å; I444-A446 VanDerWaalsContact C-N 3.26Å; I444-A446 PolarHBondContact O-N 2.81Å; I444-Q447 PolarHBondContact O-N 2.79Å; I444-Q447 VanDerWaalsContact O-N 3.13Å; I444-K448 HydrophobicContact CG2-CB 4.31Å; I444-K448 WeakPolarHBondContact O-CA 3.42Å; I444-K448 WeakPolarHBondContact O-CB 3.39Å; I444-K448 PolarHBondContact O-N 2.77Å; I444-W456 HydrophobicContact CB-CZ2 4.42Å; I444-W456 HydrophobicContact CD1-CD2 4.43Å; I444-W456 HydrophobicContact CD1-CG 4.4Å; I444-W456 HydrophobicContact CG1-CD2 3.81Å; I444-W456 HydrophobicContact CG1-CE3 4.06Å; I444-W456 HydrophobicContact CG1-CG 4.28Å; I444-W456 HydrophobicContact CG1-CH2 4.34Å; I444-W456 HydrophobicContact CG1-CZ2 4.09Å; I444-W456 HydrophobicContact CG1-CZ3 4.31Å; I444-W456 HydrophobicContact CG2-CZ2 4.26Å; I444-A475 HydrophobicContact CD1-CB 3.64Å; I444-L478 HydrophobicContact CB-CD1 4.38Å; I444-L478 HydrophobicContact CG2-CB 3.92Å; I444-L478 HydrophobicContact CG2-CD1 4.36Å; I444-D479 HydrophobicContact CG2-CB 4.22Å
445	H	98.4	Very high	98.5	Very high	38 Å²	38	10.3 Å²	10.3	18%	0.176	6%	0.056	C	C	.	.	H	α-helix	trans	-57.3	-41.2	-179.2	-90.8	-80.2	0	0	0	112.5	P29 R30 A31 D225 V441 K448 L478	P29-H445 HydrophobicContact CB-CB 3.73Å; P29-H445 HydrophobicContact CG-CB 4.05Å; R30-H445 CarbonylContact C-O 3.56Å; R30-H445 VanDerWaalsContact C-O 3.27Å; A31-H445 WeakPolarHBondContact CA-O 3.29Å; A31-H445 PolarHBondContact N-O 3.37Å; A31-H445 VanDerWaalsContact N-O 3.14Å; D225-H445 IonicContact OD2-ND1 3.7Å; V441-H445 WeakPolarHBondContact O-CB 3.45Å; V441-H445 PolarHBondContact O-CD2 3.35Å; V441-H445 VanDerWaalsContact O-CD2 3.23Å; V441-H445 PolarHBondContact O-N 3.47Å; H445-K448 WeakPolarHBondContact O-CE 3.46Å; H445-L478 WeakPolarHBondContact NE2-CD2 3.45Å
446	A	98	Very high	98.5	Very high	19 Å²	19	10.1 Å²	10.1	16%	0.157	6%	0.055	C	C	.	.	H	α-helix	trans	-65	-41.6	178.4	0	0	0	0	0	112.2	R30 Y32 R442 H443 I444	R30-A446 WeakPolarHBondContact O-CA 3.47Å; Y32-A446 PolarHBondContact N-O 2.91Å; Y32-A446 VanDerWaalsContact N-O 3.15Å; R442-A446 WeakPolarHBondContact O-CB 3.48Å; R442-A446 PolarHBondContact O-N 2.99Å; R442-A446 VanDerWaalsContact O-N 3.08Å; H443-A446 PolarHBondContact O-N 2.85Å; I444-A446 VanDerWaalsContact C-N 3.26Å; I444-A446 PolarHBondContact O-N 2.81Å
447	Q	98.4	Very high	98.5	Very high	5 Å²	5	10.1 Å²	10.1	2%	0.023	6%	0.055	C	C	.	.	H	α-helix	trans	-112.9	-0.3	-164.4	-48.3	-55	-15.7	0	0	115.7	Y396 H443 I444 N449 H450 I453 W456	Y396-Q447 VanDerWaalsContact CD2-CD 3.46Å; Y396-Q447 HydrophobicContact CD2-CG 4.04Å; Y396-Q447 HydrophobicContact CE2-CG 3.86Å; H443-Q447 PolarHBondContact O-N 2.8Å; H443-Q447 VanDerWaalsContact O-N 3.13Å; I444-Q447 PolarHBondContact O-N 2.79Å; I444-Q447 VanDerWaalsContact O-N 3.13Å; Q447-N449 PolarHBondContact O-N 2.84Å; Q447-H450 PolarHBondContact O-CD2 3.06Å; Q447-H450 PolarHBondContact O-N 2.81Å; Q447-H450 VanDerWaalsContact O-N 3.11Å; Q447-H450 PolarHBondContact OE1-CD2 3.35Å; Q447-H450 VanDerWaalsContact OE1-CD2 3.24Å; Q447-H450 PolarHBondContact OE1-NE2 3.1Å; Q447-I453 HydrophobicContact CB-CD1 3.52Å; Q447-I453 HydrophobicContact CG-CD1 4.5Å; Q447-W456 HydrophobicContact CB-CH2 3.86Å; Q447-W456 HydrophobicContact CB-CZ3 4.25Å
448	K	97.8	Very high	98.5	Very high	14 Å²	14	8.7 Å²	8.7	6%	0.061	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-24.6	-174.3	55.8	-177.1	173.6	175	0	116	D225 F226 T227 I444 H445 R482	D225-K448 VanDerWaalsContact CG-NZ 3.31Å; D225-K448 IonicContact OD1-NZ 3.34Å; D225-K448 PolarHBondContact OD1-NZ 3.1Å; D225-K448 IonicContact OD2-NZ 2.84Å; D225-K448 PolarHBondContact OD2-NZ 3.13Å; F226-K448 WeakPolarHBondContact O-CE 3.39Å; F226-K448 PolarHBondContact O-NZ 3.06Å; T227-K448 HydrophobicContact CG2-CD 4.17Å; T227-K448 WeakPolarHBondContact OG1-CE 3.32Å; T227-K448 PolarHBondContact OG1-NZ 2.99Å; I444-K448 HydrophobicContact CG2-CB 4.31Å; I444-K448 WeakPolarHBondContact O-CA 3.42Å; I444-K448 WeakPolarHBondContact O-CB 3.39Å; I444-K448 PolarHBondContact O-N 2.77Å; H445-K448 WeakPolarHBondContact O-CE 3.46Å; K448-R482 PolarHBondContact O-NH1 3.38Å; K448-R482 VanDerWaalsContact O-NH1 3.11Å; K448-R482 PolarHBondContact O-NH2 3.31Å
449	N	98.5	Very high	98.5	Very high	13 Å²	13	7.4 Å²	7.4	7%	0.07	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.1	-175.2	-64.4	-33.4	0	0	0	114	A31 F226 T227 V228 Q325 Q447 P451	A31-N449 WeakPolarHBondContact CB-ND2 3.24Å; F226-N449 WeakPolarHBondContact CD2-ND2 3.2Å; F226-N449 WeakPolarHBondContact CE2-ND2 3.39Å; F226-N449 PolarHBondContact O-ND2 2.9Å; T227-N449 WeakPolarHBondContact CA-OD1 3.42Å; V228-N449 PolarHBondContact N-OD1 2.77Å; Q325-N449 HydrophobicContact CG-CB 4.5Å; Q325-N449 PolarHBondContact NE2-O 2.81Å; Q447-N449 PolarHBondContact O-N 2.84Å; N449-P451 WeakPolarHBondContact O-CD 3.48Å
450	H	98.7	Very high	98.5	Very high	9 Å²	9	7.1 Å²	7.1	4%	0.042	4%	0.039	C	C	.	.			trans	-80.2	119.3	177.6	-70.9	-66.7	0	0	0	111.9	Y396 D400 Q447 S452 I453 R482	Y396-H450 VanDerWaalsContact CB-CD2 3.45Å; Y396-H450 WeakPolarHBondContact CB-CD2 3.46Å; D400-H450 IonicContact OD1-ND1 3.44Å; D400-H450 IonicContact OD2-CE1 3.5Å; D400-H450 IonicContact OD2-CG 3.94Å; D400-H450 IonicContact OD2-ND1 3.78Å; D400-H450 PolarHBondContact OD2-ND1 2.73Å; Q447-H450 PolarHBondContact O-CD2 3.06Å; Q447-H450 PolarHBondContact O-N 2.81Å; Q447-H450 VanDerWaalsContact O-N 3.11Å; Q447-H450 PolarHBondContact OE1-CD2 3.35Å; Q447-H450 VanDerWaalsContact OE1-CD2 3.24Å; Q447-H450 PolarHBondContact OE1-NE2 3.1Å; H450-S452 PolarHBondContact O-N 2.87Å; H450-I453 HydrophobicContact CB-CD1 4.1Å; H450-I453 HydrophobicContact CB-CG1 4.05Å; H450-I453 PolarHBondContact O-N 3.21Å; H450-R482 PolarHBondContact O-NH2 3.01Å
451	P	98.6	Very high	98.4	Very high	2 Å²	2	9 Å²	9	1%	0.013	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.5	173.7	27.3	-37.8	0	0	0	113.7	W298 L305 R330 D400 N449 I453	W298-P451 HydrophobicContact CD2-CB 3.95Å; W298-P451 HydrophobicContact CD2-CG 4.28Å; W298-P451 HydrophobicContact CE3-CB 4.17Å; W298-P451 HydrophobicContact CG-CB 4.09Å; W298-P451 HydrophobicContact CG-CG 4.31Å; W298-P451 WeakPolarHBondContact CZ3-O 3.4Å; L305-P451 HydrophobicContact CD2-CG 3.84Å; R330-P451 HydrophobicContact CG-CB 4.48Å; D400-P451 HydrophobicContact CB-CG 4.18Å; D400-P451 VanDerWaalsContact CG-CD 3.45Å; D400-P451 VanDerWaalsContact OD1-CD 3.22Å; D400-P451 WeakPolarHBondContact OD1-CD 3.33Å; D400-P451 WeakPolarHBondContact OD1-CG 3.36Å; D400-P451 WeakPolarHBondContact OD2-CD 3.12Å; N449-P451 WeakPolarHBondContact O-CD 3.48Å; P451-I453 VanDerWaalsContact C-N 3.33Å; P451-I453 PolarHBondContact O-N 3.48Å
452	S	98.8	Very high	98.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-33	178.1	54.2	0	0	0	0	114	Y396 D400 L404 F405 V406 H450 I454	Y396-S452 PolarHBondContact O-OG 2.88Å; D400-S452 WeakPolarHBondContact OD1-CB 3.33Å; D400-S452 PolarHBondContact OD1-N 2.79Å; D400-S452 PolarHBondContact OD1-OG 3.29Å; L404-S452 VanDerWaalsContact O-CB 3.25Å; L404-S452 WeakPolarHBondContact O-CB 3.27Å; F405-S452 CarbonylContact C-O 3.29Å; V406-S452 PolarHBondContact N-O 3.07Å; H450-S452 PolarHBondContact O-N 2.87Å; S452-I454 PolarHBondContact O-N 3.15Å
453	I	98.8	Very high	98.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.4	177.3	-54.1	178.3	0	0	0	108.7	Y396 V406 A408 Q447 H450 P451 W456 R482	Y396-I453 HydrophobicContact CD1-CD1 3.63Å; Y396-I453 HydrophobicContact CD1-CG1 3.84Å; Y396-I453 HydrophobicContact CE1-CD1 3.9Å; Y396-I453 HydrophobicContact CE1-CG1 4.29Å; Y396-I453 HydrophobicContact CG-CD1 4.35Å; V406-I453 HydrophobicContact CB-CG1 4.17Å; V406-I453 HydrophobicContact CG1-CG1 4.26Å; V406-I453 WeakPolarHBondContact O-CA 3.5Å; A408-I453 HydrophobicContact CB-CD1 3.97Å; A408-I453 HydrophobicContact CB-CG1 4.2Å; A408-I453 HydrophobicContact CB-CG2 3.72Å; Q447-I453 HydrophobicContact CB-CD1 3.52Å; Q447-I453 HydrophobicContact CG-CD1 4.5Å; H450-I453 HydrophobicContact CB-CD1 4.1Å; H450-I453 HydrophobicContact CB-CG1 4.05Å; H450-I453 PolarHBondContact O-N 3.21Å; P451-I453 VanDerWaalsContact C-N 3.33Å; P451-I453 PolarHBondContact O-N 3.48Å; I453-W456 HydrophobicContact CD1-CH2 3.56Å; I453-W456 HydrophobicContact CD1-CZ2 4.44Å; I453-W456 HydrophobicContact CD1-CZ3 3.81Å; I453-W456 HydrophobicContact CG2-CD2 4.19Å; I453-W456 HydrophobicContact CG2-CE3 4.1Å; I453-W456 HydrophobicContact CG2-CH2 3.95Å; I453-W456 HydrophobicContact CG2-CZ2 4.05Å; I453-W456 HydrophobicContact CG2-CZ3 3.98Å; I453-R482 VanDerWaalsContact O-CD 3.24Å; I453-R482 WeakPolarHBondContact O-CD 3.44Å; I453-R482 PolarHBondContact O-NE 2.92Å
454	I	98.6	Very high	98.2	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.01	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-20.2	177.4	57.6	158.4	0	0	0	112.5	I332 I341 L348 F405 V406 S452 L483	I332-I454 HydrophobicContact CD1-CB 3.8Å; I332-I454 HydrophobicContact CD1-CG2 3.84Å; I332-I454 HydrophobicContact CG1-CG2 4.44Å; I341-I454 HydrophobicContact CD1-CD1 3.94Å; I341-I454 HydrophobicContact CD1-CG2 3.99Å; L348-I454 HydrophobicContact CD1-CD1 4.07Å; L348-I454 HydrophobicContact CD2-CD1 3.97Å; F405-I454 HydrophobicContact CB-CD1 3.7Å; F405-I454 HydrophobicContact CB-CG1 4.04Å; F405-I454 HydrophobicContact CD1-CD1 4.24Å; F405-I454 HydrophobicContact CD1-CG2 3.73Å; F405-I454 HydrophobicContact CE1-CG2 4.35Å; F405-I454 HydrophobicContact CG-CD1 4.01Å; V406-I454 PolarHBondContact O-N 2.74Å; S452-I454 PolarHBondContact O-N 3.15Å; I454-L483 PolarHBondContact O-N 3Å
455	I	98.7	Very high	98.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132.8	-176.5	-58	159.5	0	0	0	108.5	L348 V406 M407 A408 L483 H485 I497 I521	L348-I455 HydrophobicContact CD1-CD1 4.03Å; V406-I455 PolarHBondContact O-N 3.12Å; M407-I455 WeakPolarHBondContact CA-O 3.46Å; M407-I455 HydrophobicContact CB-CB 4.27Å; M407-I455 HydrophobicContact CE-CD1 3.8Å; M407-I455 HydrophobicContact CE-CG2 4.2Å; M407-I455 HydrophobicContact CG-CB 4.07Å; M407-I455 HydrophobicContact CG-CG2 3.89Å; A408-I455 PolarHBondContact N-O 2.77Å; I455-L483 CarbonylContact C-O 3.53Å; I455-L483 WeakPolarHBondContact CA-O 3.42Å; I455-L483 HydrophobicContact CG1-CB 4.18Å; I455-H485 HydrophobicContact CG2-CB 3.48Å; I455-H485 VanDerWaalsContact CG2-CB 3.48Å; I455-I497 HydrophobicContact CB-CD1 4.49Å; I455-I497 HydrophobicContact CD1-CD1 3.65Å; I455-I497 HydrophobicContact CG1-CD1 3.66Å; I455-I497 HydrophobicContact CG2-CD1 3.95Å; I455-I521 HydrophobicContact CD1-CD1 3.73Å
456	W	98.8	Very high	98.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.5	164.3	-62	114.6	0	0	0	108.9	A408 I440 H443 I444 Q447 I453 D479 L483 V484 H485	A408-W456 HydrophobicContact CB-CE3 3.74Å; A408-W456 HydrophobicContact CB-CZ3 3.7Å; I440-W456 HydrophobicContact CD1-CB 4.49Å; H443-W456 AromaticContact NE2-CZ3 3.9Å; I444-W456 HydrophobicContact CB-CZ2 4.42Å; I444-W456 HydrophobicContact CD1-CD2 4.43Å; I444-W456 HydrophobicContact CD1-CG 4.4Å; I444-W456 HydrophobicContact CG1-CD2 3.81Å; I444-W456 HydrophobicContact CG1-CE3 4.06Å; I444-W456 HydrophobicContact CG1-CG 4.28Å; I444-W456 HydrophobicContact CG1-CH2 4.34Å; I444-W456 HydrophobicContact CG1-CZ2 4.09Å; I444-W456 HydrophobicContact CG1-CZ3 4.31Å; I444-W456 HydrophobicContact CG2-CZ2 4.26Å; Q447-W456 HydrophobicContact CB-CH2 3.86Å; Q447-W456 HydrophobicContact CB-CZ3 4.25Å; I453-W456 HydrophobicContact CD1-CH2 3.56Å; I453-W456 HydrophobicContact CD1-CZ2 4.44Å; I453-W456 HydrophobicContact CD1-CZ3 3.81Å; I453-W456 HydrophobicContact CG2-CD2 4.19Å; I453-W456 HydrophobicContact CG2-CE3 4.1Å; I453-W456 HydrophobicContact CG2-CH2 3.95Å; I453-W456 HydrophobicContact CG2-CZ2 4.05Å; I453-W456 HydrophobicContact CG2-CZ3 3.98Å; W456-D479 PolarHBondContact NE1-OD2 3.27Å; W456-L483 PolarHBondContact N-O 2.95Å; W456-V484 CarbonylContact O-C 3.51Å; W456-V484 WeakPolarHBondContact O-CA 2.97Å; W456-H485 PolarHBondContact O-N 2.77Å
457	S	98.6	Very high	98.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.5	169.5	-179.5	0	0	0	0	110.1	A408 E409 T410 G459 H485	A408-S457 PolarHBondContact O-N 3.21Å; E409-S457 VanDerWaalsContact OE2-CB 3.25Å; E409-S457 WeakPolarHBondContact OE2-CB 3.27Å; E409-S457 PolarHBondContact OE2-OG 3.07Å; T410-S457 WeakPolarHBondContact CB-O 3.38Å; T410-S457 PolarHBondContact N-O 3.35Å; T410-S457 PolarHBondContact OG1-O 2.88Å; S457-G459 VanDerWaalsContact C-N 3.3Å; S457-G459 PolarHBondContact OG-O 3.41Å; S457-H485 CarbonylContact C-O 3.6Å; S457-H485 VanDerWaalsContact CA-O 3.3Å; S457-H485 WeakPolarHBondContact CA-O 3.46Å; S457-H485 WeakPolarHBondContact CB-ND1 3.12Å; S457-H485 PolarHBondContact OG-ND1 3.35Å
458	L	98.7	Very high	98.2	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.			trans	-76.8	-16.9	-175.8	-59.3	-178.3	0	0	0	113	I440 I468 M471 A475 V484 H485 Y486	I440-L458 HydrophobicContact CD1-CD2 4.2Å; I440-L458 HydrophobicContact CG1-CD2 4.24Å; L458-I468 HydrophobicContact CD1-CG2 3.82Å; L458-M471 HydrophobicContact CB-CE 4.36Å; L458-M471 HydrophobicContact CD1-CB 4.47Å; L458-M471 HydrophobicContact CD2-CB 4.09Å; L458-M471 WeakPolarHBondContact O-CE 3.11Å; L458-A475 HydrophobicContact CD2-CB 4.48Å; L458-V484 HydrophobicContact CD1-CG1 3.77Å; L458-V484 HydrophobicContact CD2-CG1 3.62Å; L458-V484 HydrophobicContact CG-CG1 3.56Å; L458-H485 PolarHBondContact N-O 2.84Å; L458-Y486 HydrophobicContact CB-CD2 4.13Å; L458-Y486 HydrophobicContact CB-CG 4.26Å
459	G	97.8	Very high	98.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.049	C	C	.	.			trans	158.4	-168.4	-178.1	0	0	0	0	0	110.4	V412 S457	V412-G459 CarbonylContact O-C 3.59Å; V412-G459 WeakPolarHBondContact O-CA 3.09Å; S457-G459 VanDerWaalsContact C-N 3.3Å; S457-G459 PolarHBondContact OG-O 3.41Å
460	N	97.6	Very high	98.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-134.3	149	173.1	-168.3	65	0	0	0	109.9	R385 H388 V412 E413 S462 M501	R385-N460 PolarHBondContact NH2-OD1 2.99Å; H388-N460 HydrophobicContact CB-CB 3.94Å; H388-N460 PolarHBondContact CE1-ND2 3.22Å; H388-N460 PolarHBondContact CE1-OD1 2.85Å; H388-N460 WeakPolarHBondContact ND1-CB 3.43Å; H388-N460 PolarHBondContact NE2-ND2 3.49Å; V412-N460 PolarHBondContact O-N 2.84Å; E413-N460 WeakPolarHBondContact CA-O 3.46Å; E413-N460 HydrophobicContact CG-CB 4.21Å; E413-N460 PolarHBondContact OE1-ND2 3.03Å; N460-S462 WeakPolarHBondContact O-CB 3.19Å; N460-S462 PolarHBondContact O-N 3.46Å; N460-S462 PolarHBondContact O-OG 3.08Å; N460-M501 WeakPolarHBondContact OD1-CE 3.28Å
461	E	96.8	Very high	98.3	Very high	40 Å²	40	10.3 Å²	10.3	19%	0.187	5%	0.051	C	C	.	.	S	Bend	trans	35.1	48.9	165.1	-67.6	-175.6	131.5	0	0	114.5	S414 H415 E487 M501	S414-E461 CarbonylContact C-O 3.57Å; H415-E461 WeakPolarHBondContact CA-O 3.37Å; H415-E461 HydrophobicContact CB-CB 4.1Å; H415-E461 VanDerWaalsContact CE1-CD 3.44Å; H415-E461 IonicContact CE1-OE1 3.78Å; H415-E461 IonicContact CE1-OE2 3.12Å; H415-E461 PolarHBondContact CE1-OE2 2.95Å; H415-E461 IonicContact CG-OE2 3.8Å; H415-E461 PolarHBondContact N-O 2.69Å; H415-E461 IonicContact ND1-OE2 2.93Å; H415-E461 PolarHBondContact ND1-OE2 2.89Å; E461-E487 PolarHBondContact N-OE1 3.26Å; E461-M501 HydrophobicContact CG-CE 3.92Å; E461-M501 HydrophobicContact CG-SD 4.06Å
462	S	97.1	Very high	98.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.			trans	-115.2	15.2	-176.8	-67.1	0	0	0	0	112.4	E413 S414 T427 N460 Y486	E413-S462 VanDerWaalsContact CA-OG 3.26Å; E413-S462 WeakPolarHBondContact CA-OG 3.12Å; S414-S462 PolarHBondContact N-OG 3.26Å; S414-S462 VanDerWaalsContact OG-CA 3.29Å; S414-S462 WeakPolarHBondContact OG-CA 3.4Å; S414-S462 WeakPolarHBondContact OG-CB 3.41Å; S414-S462 PolarHBondContact OG-OG 2.81Å; T427-S462 WeakPolarHBondContact CB-O 3.19Å; T427-S462 WeakPolarHBondContact CG2-O 3.26Å; T427-S462 PolarHBondContact OG1-O 2.92Å; N460-S462 WeakPolarHBondContact O-CB 3.19Å; N460-S462 PolarHBondContact O-N 3.46Å; N460-S462 PolarHBondContact O-OG 3.08Å; S462-Y486 WeakPolarHBondContact CA-OH 3.42Å; S462-Y486 VanDerWaalsContact CB-OH 3.26Å; S462-Y486 WeakPolarHBondContact CB-OH 3.37Å; S462-Y486 PolarHBondContact N-OH 3.36Å
463	G	97.2	Very high	98.3	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	8%	0.083	C	C	.	.			trans	62.7	-161.9	-171.1	0	0	0	0	0	112	Y486 E488	G463-Y486 WeakPolarHBondContact O-CE1 3.29Å; G463-Y486 VanDerWaalsContact O-CZ 3.28Å; G463-Y486 PolarHBondContact O-OH 3.27Å; G463-E488 WeakPolarHBondContact O-CB 3.48Å
464	Y	97.7	Very high	98.3	Very high	41 Å²	41	18.5 Å²	18.5	16%	0.161	9%	0.091	C	C	.	.			trans	-138.7	145.4	-178.8	-170.6	-101	0	0	0	111.5	S424 I468 Y486 D489 E493 V494	S424-Y464 WeakPolarHBondContact CB-O 3.36Å; S424-Y464 PolarHBondContact OG-N 3.3Å; S424-Y464 PolarHBondContact OG-O 2.94Å; Y464-I468 HydrophobicContact CD2-CB 4.04Å; Y464-I468 HydrophobicContact CD2-CG1 4.24Å; Y464-I468 HydrophobicContact CD2-CG2 3.84Å; Y464-I468 HydrophobicContact CE2-CB 3.97Å; Y464-I468 HydrophobicContact CE2-CG2 3.52Å; Y464-Y486 HydrophobicContact CD2-CD1 4.04Å; Y464-Y486 AromaticContact CD2-CE1 3.96Å; Y464-Y486 HydrophobicContact CD2-CE1 3.96Å; Y464-D489 HydrophobicContact CD2-CB 3.95Å; Y464-D489 HydrophobicContact CE2-CB 3.59Å; Y464-E493 WeakPolarHBondContact CE1-OE2 3.38Å; Y464-E493 PolarHBondContact OH-OE2 2.94Å; Y464-V494 HydrophobicContact CE2-CG2 4.4Å
465	G	98	Very high	98.3	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.021	9%	0.091	C	C	.	.	S	Bend	trans	-178.9	-173.3	-170.9	0	0	0	0	0	114.8	T427 D428 N467 I468 R469	T427-G465 CarbonylContact O-C 3.4Å; D428-G465 WeakPolarHBondContact OD1-CA 3.03Å; G465-N467 PolarHBondContact O-N 3.33Å; G465-I468 PolarHBondContact O-N 2.95Å; G465-R469 VanDerWaalsContact C-NH1 3.35Å; G465-R469 PolarHBondContact O-NH1 3.21Å
466	C	98.5	Very high	98.3	Very high	33 Å²	33	20.8 Å²	20.8	22%	0.223	10%	0.101	C	C	.	.	H	α-helix	trans	-56.2	-33.4	-179.2	64.6	0	0	0	0	113.7	D428 R469 A470	D428-C466 PolarHBondContact OD1-N 3.33Å; C466-R469 PolarHBondContact O-N 3.38Å; C466-A470 PolarHBondContact O-N 2.96Å
467	N	98.6	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-73.4	-33.7	-175.3	-60.6	-25.3	0	0	0	112	I426 T427 D429 W432 E433 Y436 G465 A470 M471	I426-N467 PolarHBondContact O-ND2 2.83Å; T427-N467 WeakPolarHBondContact O-CB 3.38Å; T427-N467 PolarHBondContact O-N 3.46Å; T427-N467 VanDerWaalsContact O-N 3.09Å; T427-N467 PolarHBondContact O-ND2 3.24Å; D429-N467 PolarHBondContact O-ND2 2.86Å; W432-N467 WeakPolarHBondContact CB-ND2 3.29Å; E433-N467 WeakPolarHBondContact CA-OD1 3.49Å; E433-N467 WeakPolarHBondContact CB-OD1 3.48Å; E433-N467 PolarHBondContact N-OD1 3.19Å; Y436-N467 HydrophobicContact CD1-CB 3.84Å; Y436-N467 HydrophobicContact CD2-CB 4.13Å; Y436-N467 HydrophobicContact CE1-CB 4.42Å; Y436-N467 HydrophobicContact CG-CB 3.69Å; G465-N467 PolarHBondContact O-N 3.33Å; N467-A470 PolarHBondContact O-N 3.06Å; N467-M471 VanDerWaalsContact O-CG 3.26Å; N467-M471 WeakPolarHBondContact O-CG 3.38Å; N467-M471 PolarHBondContact O-N 3.14Å
468	I	98.6	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-42.7	172.7	-59.9	-60.5	0	0	0	111	T427 L458 Y464 G465 A470 M471 Y472 Y486	T427-I468 HydrophobicContact CG2-CD1 3.96Å; T427-I468 HydrophobicContact CG2-CG1 3.49Å; T427-I468 VanDerWaalsContact CG2-CG1 3.49Å; L458-I468 HydrophobicContact CD1-CG2 3.82Å; Y464-I468 HydrophobicContact CD2-CB 4.04Å; Y464-I468 HydrophobicContact CD2-CG1 4.24Å; Y464-I468 HydrophobicContact CD2-CG2 3.84Å; Y464-I468 HydrophobicContact CE2-CB 3.97Å; Y464-I468 HydrophobicContact CE2-CG2 3.52Å; G465-I468 PolarHBondContact O-N 2.95Å; I468-A470 VanDerWaalsContact C-N 3.33Å; I468-A470 PolarHBondContact O-N 2.93Å; I468-M471 HydrophobicContact CD1-SD 4.31Å; I468-M471 PolarHBondContact O-N 3.42Å; I468-Y472 PolarHBondContact O-N 3.05Å; I468-Y486 HydrophobicContact CB-CE1 4.42Å; I468-Y486 HydrophobicContact CD1-CD1 4.18Å; I468-Y486 HydrophobicContact CD1-CE1 3.65Å; I468-Y486 HydrophobicContact CD1-CE2 4.06Å; I468-Y486 HydrophobicContact CG1-CD1 4.2Å; I468-Y486 HydrophobicContact CG1-CE1 3.65Å; I468-Y486 HydrophobicContact CG2-CD1 3.6Å; I468-Y486 HydrophobicContact CG2-CE1 3.95Å; I468-Y486 HydrophobicContact CG2-CG 4.23Å
469	R	98.5	Very high	98.2	Very high	76 Å²	76	28.8 Å²	28.8	29%	0.287	16%	0.155	S	C	.	.	H	α-helix	trans	-60.8	-43.5	175.1	-62.5	-179.3	-176.9	87.9	-0.7	111.3	G465 C466 Y472 H473 E493 V494	G465-R469 VanDerWaalsContact C-NH1 3.35Å; G465-R469 PolarHBondContact O-NH1 3.21Å; C466-R469 PolarHBondContact O-N 3.38Å; R469-Y472 PolarHBondContact O-N 3.29Å; R469-H473 PolarHBondContact O-CD2 3.3Å; R469-H473 PolarHBondContact O-N 3.19Å; R469-E493 IonicContact CZ-OE1 3.55Å; R469-E493 IonicContact CZ-OE2 3.09Å; R469-E493 VanDerWaalsContact CZ-OE2 3.26Å; R469-E493 VanDerWaalsContact NE-CD 3.28Å; R469-E493 IonicContact NE-OE1 2.94Å; R469-E493 PolarHBondContact NE-OE1 2.99Å; R469-E493 IonicContact NE-OE2 3.94Å; R469-E493 PolarHBondContact NE-OE2 2.88Å; R469-E493 VanDerWaalsContact NE-OE2 3.09Å; R469-E493 IonicContact NH2-OE1 3.99Å; R469-E493 IonicContact NH2-OE2 3.43Å; R469-E493 PolarHBondContact NH2-OE2 2.7Å; R469-V494 HydrophobicContact CG-CG1 4.08Å
470	A	98.8	Very high	98.1	Very high	20 Å²	20	33.4 Å²	33.4	17%	0.165	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-42.9	177.2	0	0	0	0	0	111.7	E433 V437 C466 N467 I468 H473 A474	E433-A470 HydrophobicContact CG-CB 3.79Å; V437-A470 HydrophobicContact CG2-CB 3.61Å; C466-A470 PolarHBondContact O-N 2.96Å; N467-A470 PolarHBondContact O-N 3.06Å; I468-A470 VanDerWaalsContact C-N 3.33Å; I468-A470 PolarHBondContact O-N 2.93Å; A470-H473 PolarHBondContact O-N 3.35Å; A470-A474 WeakPolarHBondContact O-CB 3.27Å; A470-A474 PolarHBondContact O-N 3.42Å
471	M	98.8	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-46	174.6	-71.4	177.5	80.4	0	0	112.2	T410 V412 Y436 V437 I440 L458 N467 I468 H473 A474 A475	T410-M471 HydrophobicContact CG2-CE 3.86Å; V412-M471 HydrophobicContact CG2-CE 4Å; Y436-M471 HydrophobicContact CD1-SD 3.6Å; Y436-M471 VanDerWaalsContact CD1-SD 3.6Å; Y436-M471 HydrophobicContact CG-SD 4.13Å; V437-M471 HydrophobicContact CG2-CG 4.37Å; I440-M471 HydrophobicContact CB-CE 3.72Å; I440-M471 HydrophobicContact CG2-CB 3.87Å; I440-M471 HydrophobicContact CG2-CE 3.89Å; I440-M471 HydrophobicContact CG2-CG 3.85Å; L458-M471 HydrophobicContact CB-CE 4.36Å; L458-M471 HydrophobicContact CD1-CB 4.47Å; L458-M471 HydrophobicContact CD2-CB 4.09Å; L458-M471 WeakPolarHBondContact O-CE 3.11Å; N467-M471 VanDerWaalsContact O-CG 3.26Å; N467-M471 WeakPolarHBondContact O-CG 3.38Å; N467-M471 PolarHBondContact O-N 3.14Å; I468-M471 HydrophobicContact CD1-SD 4.31Å; I468-M471 PolarHBondContact O-N 3.42Å; M471-H473 PolarHBondContact O-N 3.31Å; M471-A474 PolarHBondContact O-N 2.81Å; M471-A475 WeakPolarHBondContact O-CB 3.45Å; M471-A475 PolarHBondContact O-N 3.24Å
472	Y	98.8	Very high	98.2	Very high	39 Å²	39	32.7 Å²	32.7	15%	0.153	18%	0.178	C	C	.	.	H	α-helix	trans	-57.1	-50	176.3	171.9	-96.7	0	0	0	111.6	I468 R469 A474 A475 K476 V484 V494	I468-Y472 PolarHBondContact O-N 3.05Å; R469-Y472 PolarHBondContact O-N 3.29Å; Y472-A474 VanDerWaalsContact C-N 3.34Å; Y472-A474 PolarHBondContact O-N 3.17Å; Y472-A475 WeakPolarHBondContact O-CB 3.45Å; Y472-A475 PolarHBondContact O-N 2.96Å; Y472-K476 HydrophobicContact CD1-CG 4.34Å; Y472-K476 HydrophobicContact CD2-CG 4.14Å; Y472-K476 HydrophobicContact CE1-CG 3.87Å; Y472-K476 HydrophobicContact CE2-CD 3.83Å; Y472-K476 HydrophobicContact CE2-CG 3.6Å; Y472-K476 HydrophobicContact CG-CG 4.47Å; Y472-K476 VanDerWaalsContact CZ-CG 3.46Å; Y472-K476 WeakPolarHBondContact O-CG 3.48Å; Y472-K476 PolarHBondContact O-N 3.44Å; Y472-V484 HydrophobicContact CD2-CB 3.86Å; Y472-V484 HydrophobicContact CD2-CG1 3.76Å; Y472-V484 HydrophobicContact CD2-CG2 4.08Å; Y472-V484 HydrophobicContact CE2-CB 3.96Å; Y472-V484 HydrophobicContact CE2-CG1 4.38Å; Y472-V484 HydrophobicContact CE2-CG2 4.09Å; Y472-V494 HydrophobicContact CD1-CB 3.7Å; Y472-V494 HydrophobicContact CD1-CG1 4.17Å; Y472-V494 HydrophobicContact CD2-CB 4.01Å; Y472-V494 HydrophobicContact CD2-CG2 4.28Å; Y472-V494 WeakPolarHBondContact CD2-O 3.49Å; Y472-V494 HydrophobicContact CE1-CB 4.16Å; Y472-V494 HydrophobicContact CE2-CB 4.47Å; Y472-V494 WeakPolarHBondContact CE2-O 3.47Å; Y472-V494 HydrophobicContact CG-CB 3.62Å; Y472-V494 HydrophobicContact CG-CG1 4.45Å; Y472-V494 HydrophobicContact CG-CG2 3.98Å; Y472-V494 PolarHBondContact OH-O 2.89Å
473	H	98.7	Very high	98.2	Very high	115 Å²	115	33.2 Å²	33.2	53%	0.532	18%	0.181	S	C	.	.	H	α-helix	trans	-63.6	-39.9	-179.3	-68.7	-46.2	0	0	0	112.4	R469 A470 M471 A477	R469-H473 PolarHBondContact O-CD2 3.3Å; R469-H473 PolarHBondContact O-N 3.19Å; A470-H473 PolarHBondContact O-N 3.35Å; M471-H473 PolarHBondContact O-N 3.31Å; H473-A477 VanDerWaalsContact O-CB 3.3Å; H473-A477 WeakPolarHBondContact O-CB 3.42Å; H473-A477 PolarHBondContact O-N 3.16Å
474	A	98.7	Very high	98.3	Very high	20 Å²	20	33.1 Å²	33.1	17%	0.165	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-43	173.6	0	0	0	0	0	111.7	V437 V441 A470 M471 Y472 A477 L478	V437-A474 HydrophobicContact CG1-CB 3.84Å; V441-A474 HydrophobicContact CG2-CB 4.11Å; A470-A474 WeakPolarHBondContact O-CB 3.27Å; A470-A474 PolarHBondContact O-N 3.42Å; M471-A474 PolarHBondContact O-N 2.81Å; Y472-A474 VanDerWaalsContact C-N 3.34Å; Y472-A474 PolarHBondContact O-N 3.17Å; A474-A477 PolarHBondContact O-N 2.72Å; A474-L478 WeakPolarHBondContact O-CG 3.37Å; A474-L478 PolarHBondContact O-N 2.83Å; A474-L478 VanDerWaalsContact O-N 3.17Å
475	A	98.7	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-51.4	177.9	0	0	0	0	0	111.9	I440 I444 L458 M471 Y472 A477 L478 D479 V484	I440-A475 HydrophobicContact CD1-CB 4.43Å; I440-A475 HydrophobicContact CG1-CB 3.93Å; I444-A475 HydrophobicContact CD1-CB 3.64Å; L458-A475 HydrophobicContact CD2-CB 4.48Å; M471-A475 WeakPolarHBondContact O-CB 3.45Å; M471-A475 PolarHBondContact O-N 3.24Å; Y472-A475 WeakPolarHBondContact O-CB 3.45Å; Y472-A475 PolarHBondContact O-N 2.96Å; A475-A477 VanDerWaalsContact C-N 3.28Å; A475-A477 PolarHBondContact O-N 3.05Å; A475-L478 PolarHBondContact O-N 3.32Å; A475-L478 VanDerWaalsContact O-N 3.13Å; A475-D479 PolarHBondContact O-N 2.86Å; A475-V484 HydrophobicContact CB-CG2 4.36Å
476	K	98.3	Very high	98.3	Very high	50 Å²	50	31.1 Å²	31.1	22%	0.217	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-27.9	179.3	-61.7	-54.8	-65.2	-167.3	0	113.3	Y472 L478 R482 V484 D496	Y472-K476 HydrophobicContact CD1-CG 4.34Å; Y472-K476 HydrophobicContact CD2-CG 4.14Å; Y472-K476 HydrophobicContact CE1-CG 3.87Å; Y472-K476 HydrophobicContact CE2-CD 3.83Å; Y472-K476 HydrophobicContact CE2-CG 3.6Å; Y472-K476 HydrophobicContact CG-CG 4.47Å; Y472-K476 VanDerWaalsContact CZ-CG 3.46Å; Y472-K476 WeakPolarHBondContact O-CG 3.48Å; Y472-K476 PolarHBondContact O-N 3.44Å; K476-L478 VanDerWaalsContact C-N 3.33Å; K476-R482 PolarHBondContact NZ-O 3.19Å; K476-V484 HydrophobicContact CD-CG2 3.56Å; K476-V484 HydrophobicContact CG-CG2 4.39Å; K476-D496 IonicContact NZ-OD2 3.35Å; K476-D496 PolarHBondContact NZ-OD2 3.11Å
477	A	98.3	Very high	98.2	Very high	88 Å²	88	29.8 Å²	29.8	73%	0.727	16%	0.162	S	C	*	.	H	α-helix	trans	-70.9	-30	174.7	0	0	0	0	0	112.5	H473 A474 A475	H473-A477 VanDerWaalsContact O-CB 3.3Å; H473-A477 WeakPolarHBondContact O-CB 3.42Å; H473-A477 PolarHBondContact O-N 3.16Å; A474-A477 PolarHBondContact O-N 2.72Å; A475-A477 VanDerWaalsContact C-N 3.28Å; A475-A477 PolarHBondContact O-N 3.05Å
478	L	98.2	Very high	98.2	Very high	70 Å²	70	31.3 Å²	31.3	37%	0.366	17%	0.169	S	C	.	.	H	α-helix	trans	-88.3	-36.8	178	-69.2	173.9	0	0	0	113	V441 I444 H445 A474 A475 K476	V441-L478 HydrophobicContact CB-CD1 4.16Å; V441-L478 HydrophobicContact CG1-CD1 4.09Å; V441-L478 HydrophobicContact CG2-CD1 3.92Å; I444-L478 HydrophobicContact CB-CD1 4.38Å; I444-L478 HydrophobicContact CG2-CB 3.92Å; I444-L478 HydrophobicContact CG2-CD1 4.36Å; H445-L478 WeakPolarHBondContact NE2-CD2 3.45Å; A474-L478 WeakPolarHBondContact O-CG 3.37Å; A474-L478 PolarHBondContact O-N 2.83Å; A474-L478 VanDerWaalsContact O-N 3.17Å; A475-L478 PolarHBondContact O-N 3.32Å; A475-L478 VanDerWaalsContact O-N 3.13Å; K476-L478 VanDerWaalsContact C-N 3.33Å
479	D	98.1	Very high	98.1	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.048	17%	0.17	C	C	.	.			trans	-146.8	102.1	-177.9	-176.6	10.2	0	0	0	111.4	I444 W456 A475 T481 R482	I444-D479 HydrophobicContact CG2-CB 4.22Å; W456-D479 PolarHBondContact NE1-OD2 3.27Å; A475-D479 PolarHBondContact O-N 2.86Å; D479-T481 VanDerWaalsContact C-N 3.34Å; D479-T481 WeakPolarHBondContact OD1-CA 3.5Å; D479-T481 WeakPolarHBondContact OD1-CB 3.29Å; D479-T481 PolarHBondContact OD1-N 2.62Å; D479-T481 PolarHBondContact OD1-OG1 2.76Å; D479-R482 IonicContact OD1-NH1 2.9Å; D479-R482 WeakPolarHBondContact OD2-CD 3.43Å; D479-R482 WeakPolarHBondContact OD2-CG 3.27Å; D479-R482 IonicContact OD2-CZ 3.01Å; D479-R482 IonicContact OD2-NE 3.42Å; D479-R482 IonicContact OD2-NH1 3.94Å; D479-R482 PolarHBondContact OD2-NH1 2.93Å
480	D	96.7	Very high	97.7	Very high	97 Å²	97	36.2 Å²	36.2	52%	0.519	19%	0.188	S	C	.	.	S	Bend	trans	-89.5	-0.8	174	71.9	-16.4	0	0	0	113.1	R229	R229-D480 IonicContact CZ-OD1 3.09Å; R229-D480 IonicContact NH1-OD1 3.61Å; R229-D480 PolarHBondContact NH1-OD1 3.43Å; R229-D480 IonicContact NH1-OD2 3.57Å
481	T	96.9	Very high	97.3	Very high	19 Å²	19	42.4 Å²	42.4	12%	0.117	22%	0.218	C	C	.	.	S	Bend	trans	-90.7	-13.2	-173.6	74.8	0	0	0	0	113.7	R229 D479	R229-T481 HydrophobicContact CG-CG2 4.31Å; D479-T481 VanDerWaalsContact C-N 3.34Å; D479-T481 WeakPolarHBondContact OD1-CA 3.5Å; D479-T481 WeakPolarHBondContact OD1-CB 3.29Å; D479-T481 PolarHBondContact OD1-N 2.62Å; D479-T481 PolarHBondContact OD1-OG1 2.76Å
482	R	98	Very high	97.1	Very high	6 Å²	6	42.7 Å²	42.7	2%	0.023	22%	0.221	C	C	.	.	S	Bend	trans	-118.7	159.8	-179.7	-64	179.5	-178.7	83.7	-8.1	111.1	I332 K448 H450 I453 K476 D479	I332-R482 HydrophobicContact CD1-CG 4.06Å; K448-R482 PolarHBondContact O-NH1 3.38Å; K448-R482 VanDerWaalsContact O-NH1 3.11Å; K448-R482 PolarHBondContact O-NH2 3.31Å; H450-R482 PolarHBondContact O-NH2 3.01Å; I453-R482 VanDerWaalsContact O-CD 3.24Å; I453-R482 WeakPolarHBondContact O-CD 3.44Å; I453-R482 PolarHBondContact O-NE 2.92Å; K476-R482 PolarHBondContact NZ-O 3.19Å; D479-R482 IonicContact OD1-NH1 2.9Å; D479-R482 WeakPolarHBondContact OD2-CD 3.43Å; D479-R482 WeakPolarHBondContact OD2-CG 3.27Å; D479-R482 IonicContact OD2-CZ 3.01Å; D479-R482 IonicContact OD2-NE 3.42Å; D479-R482 IonicContact OD2-NH1 3.94Å; D479-R482 PolarHBondContact OD2-NH1 2.93Å
483	L	98.2	Very high	97	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.058	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	154.9	178	-51.9	-179.1	0	0	0	110.3	I332 V334 F339 I454 I455 W456 D496 I497	I332-L483 HydrophobicContact CG2-CD1 4.14Å; I332-L483 HydrophobicContact CG2-CD2 4.2Å; I332-L483 HydrophobicContact CG2-CG 3.9Å; V334-L483 HydrophobicContact CG2-CD1 4.14Å; V334-L483 HydrophobicContact CG2-CD2 3.51Å; V334-L483 HydrophobicContact CG2-CG 4.5Å; F339-L483 HydrophobicContact CB-CD1 3.65Å; F339-L483 HydrophobicContact CD2-CD1 4.29Å; F339-L483 HydrophobicContact CG-CD1 4.02Å; I454-L483 PolarHBondContact O-N 3Å; I455-L483 CarbonylContact C-O 3.53Å; I455-L483 WeakPolarHBondContact CA-O 3.42Å; I455-L483 HydrophobicContact CG1-CB 4.18Å; W456-L483 PolarHBondContact N-O 2.95Å; L483-D496 WeakPolarHBondContact CA-OD2 3.49Å; L483-D496 HydrophobicContact CB-CB 3.98Å; L483-D496 HydrophobicContact CD2-CB 4.1Å; L483-I497 HydrophobicContact CB-CD1 3.61Å; L483-I497 HydrophobicContact CB-CG1 4.23Å; L483-I497 HydrophobicContact CD1-CD1 3.61Å; L483-I497 HydrophobicContact CD1-CG1 3.92Å; L483-I497 HydrophobicContact CG-CD1 4.25Å
484	V	98.6	Very high	97	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.2	172.8	-176.1	0	0	0	0	110.8	W456 L458 Y472 A475 K476 D496 I497	W456-V484 CarbonylContact O-C 3.51Å; W456-V484 WeakPolarHBondContact O-CA 2.97Å; L458-V484 HydrophobicContact CD1-CG1 3.77Å; L458-V484 HydrophobicContact CD2-CG1 3.62Å; L458-V484 HydrophobicContact CG-CG1 3.56Å; Y472-V484 HydrophobicContact CD2-CB 3.86Å; Y472-V484 HydrophobicContact CD2-CG1 3.76Å; Y472-V484 HydrophobicContact CD2-CG2 4.08Å; Y472-V484 HydrophobicContact CE2-CB 3.96Å; Y472-V484 HydrophobicContact CE2-CG1 4.38Å; Y472-V484 HydrophobicContact CE2-CG2 4.09Å; A475-V484 HydrophobicContact CB-CG2 4.36Å; K476-V484 HydrophobicContact CD-CG2 3.56Å; K476-V484 HydrophobicContact CG-CG2 4.39Å; V484-D496 PolarHBondContact N-OD2 3.38Å; V484-D496 PolarHBondContact O-N 3.02Å; V484-I497 PolarHBondContact O-N 3.22Å
485	H	98.3	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.6	178.7	165.3	-85.9	0	0	0	110.7	M407 I455 W456 S457 L458 E487 S499	M407-H485 HydrophobicContact CE-CB 4.36Å; M407-H485 HydrophobicContact SD-CB 4.32Å; I455-H485 HydrophobicContact CG2-CB 3.48Å; I455-H485 VanDerWaalsContact CG2-CB 3.48Å; W456-H485 PolarHBondContact O-N 2.77Å; S457-H485 CarbonylContact C-O 3.6Å; S457-H485 VanDerWaalsContact CA-O 3.3Å; S457-H485 WeakPolarHBondContact CA-O 3.46Å; S457-H485 WeakPolarHBondContact CB-ND1 3.12Å; S457-H485 PolarHBondContact OG-ND1 3.35Å; L458-H485 PolarHBondContact N-O 2.84Å; H485-E487 IonicContact CE1-OE2 2.62Å; H485-S499 VanDerWaalsContact CD2-CB 3.49Å; H485-S499 WeakPolarHBondContact CD2-CB 3.2Å; H485-S499 WeakPolarHBondContact NE2-CB 2.99Å; H485-S499 PolarHBondContact NE2-OG 3.3Å
486	Y	98.3	Very high	96.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.			trans	-162.9	126.1	162.2	-172.9	-122.8	0	0	0	108.3	L458 S462 G463 Y464 I468 E488 D489	L458-Y486 HydrophobicContact CB-CD2 4.13Å; L458-Y486 HydrophobicContact CB-CG 4.26Å; S462-Y486 WeakPolarHBondContact CA-OH 3.42Å; S462-Y486 VanDerWaalsContact CB-OH 3.26Å; S462-Y486 WeakPolarHBondContact CB-OH 3.37Å; S462-Y486 PolarHBondContact N-OH 3.36Å; G463-Y486 WeakPolarHBondContact O-CE1 3.29Å; G463-Y486 VanDerWaalsContact O-CZ 3.28Å; G463-Y486 PolarHBondContact O-OH 3.27Å; Y464-Y486 HydrophobicContact CD2-CD1 4.04Å; Y464-Y486 AromaticContact CD2-CE1 3.96Å; Y464-Y486 HydrophobicContact CD2-CE1 3.96Å; I468-Y486 HydrophobicContact CB-CE1 4.42Å; I468-Y486 HydrophobicContact CD1-CD1 4.18Å; I468-Y486 HydrophobicContact CD1-CE1 3.65Å; I468-Y486 HydrophobicContact CD1-CE2 4.06Å; I468-Y486 HydrophobicContact CG1-CD1 4.2Å; I468-Y486 HydrophobicContact CG1-CE1 3.65Å; I468-Y486 HydrophobicContact CG2-CD1 3.6Å; I468-Y486 HydrophobicContact CG2-CE1 3.95Å; I468-Y486 HydrophobicContact CG2-CG 4.23Å; Y486-E488 HydrophobicContact CD1-CB 4.24Å; Y486-E488 HydrophobicContact CE1-CB 3.53Å; Y486-D489 HydrophobicContact CD1-CB 4.15Å; Y486-D489 PolarHBondContact O-N 3.5Å
487	E	96.9	Very high	96.8	Very high	6 Å²	6	39 Å²	39	3%	0.028	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-33.2	-172	75	-59.2	141.2	0	0	113.7	E461 H485 D489 M501	E461-E487 PolarHBondContact N-OE1 3.26Å; H485-E487 IonicContact CE1-OE2 2.62Å; E487-D489 VanDerWaalsContact C-N 3.3Å; E487-D489 PolarHBondContact O-N 2.9Å; E487-M501 HydrophobicContact CG-CE 3.88Å; E487-M501 HydrophobicContact CG-SD 4.15Å
488	E	96.8	Very high	96.7	Very high	32 Å²	32	35.1 Å²	35.1	15%	0.15	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.7	177.4	-76.1	-64.2	168	0	0	113.9	G463 Y486 R490	G463-E488 WeakPolarHBondContact O-CB 3.48Å; Y486-E488 HydrophobicContact CD1-CB 4.24Å; Y486-E488 HydrophobicContact CE1-CB 3.53Å; E488-R490 PolarHBondContact O-N 3.43Å; E488-R490 IonicContact OE1-CZ 3.77Å; E488-R490 IonicContact OE1-NE 3.98Å; E488-R490 IonicContact OE1-NH2 2.69Å; E488-R490 PolarHBondContact OE1-NH2 2.91Å; E488-R490 IonicContact OE2-CZ 2.78Å; E488-R490 IonicContact OE2-NE 3.11Å; E488-R490 PolarHBondContact OE2-NE 3.11Å; E488-R490 IonicContact OE2-NH2 3.66Å; E488-R490 PolarHBondContact OE2-NH2 2.91Å
489	D	96.9	Very high	96.6	Very high	4 Å²	4	32 Å²	32	2%	0.021	16%	0.155	C	C	.	.			trans	-78.3	62.5	164.9	-170.6	7.2	0	0	0	110.5	Y464 Y486 E487 D491 A492 E493 V494 V495	Y464-D489 HydrophobicContact CD2-CB 3.95Å; Y464-D489 HydrophobicContact CE2-CB 3.59Å; Y486-D489 HydrophobicContact CD1-CB 4.15Å; Y486-D489 PolarHBondContact O-N 3.5Å; E487-D489 VanDerWaalsContact C-N 3.3Å; E487-D489 PolarHBondContact O-N 2.9Å; D489-D491 PolarHBondContact O-N 2.99Å; D489-A492 WeakPolarHBondContact O-CA 3.37Å; D489-A492 PolarHBondContact O-N 2.8Å; D489-A492 PolarHBondContact OD1-N 3Å; D489-E493 VanDerWaalsContact CG-N 3.35Å; D489-E493 PolarHBondContact OD1-N 3.33Å; D489-E493 PolarHBondContact OD2-N 3.3Å; D489-E493 VanDerWaalsContact OD2-N 3.15Å; D489-V494 VanDerWaalsContact OD2-CG2 3.3Å; D489-V494 WeakPolarHBondContact OD2-CG2 3.4Å; D489-V494 PolarHBondContact OD2-N 3.46Å; D489-V495 HydrophobicContact CB-CG1 3.74Å; D489-V495 HydrophobicContact CB-CG2 4.04Å; D489-V495 WeakPolarHBondContact OD2-CG1 3.38Å; D489-V495 WeakPolarHBondContact OD2-CG2 3.14Å; D489-V495 PolarHBondContact OD2-N 3.49Å
490	R	90.8	Very high	96.5	Very high	175 Å²	175	33 Å²	33	66%	0.66	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.4	-171.1	-59.5	-176.6	-171.3	-158.1	-3.9	113.8	E488 A492	E488-R490 PolarHBondContact O-N 3.43Å; E488-R490 IonicContact OE1-CZ 3.77Å; E488-R490 IonicContact OE1-NE 3.98Å; E488-R490 IonicContact OE1-NH2 2.69Å; E488-R490 PolarHBondContact OE1-NH2 2.91Å; E488-R490 IonicContact OE2-CZ 2.78Å; E488-R490 IonicContact OE2-NE 3.11Å; E488-R490 PolarHBondContact OE2-NE 3.11Å; E488-R490 IonicContact OE2-NH2 3.66Å; E488-R490 PolarHBondContact OE2-NH2 2.91Å; R490-A492 VanDerWaalsContact C-N 3.28Å
491	D	90.9	Very high	96.4	Very high	149 Å²	149	30.1 Å²	30.1	80%	0.797	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.3	174	-71.7	-35	0	0	0	112.6	D489 E493	D489-D491 PolarHBondContact O-N 2.99Å; D491-E493 VanDerWaalsContact C-N 3.29Å; D491-E493 PolarHBondContact O-N 3.41Å
492	A	94.8	Very high	96.2	Very high	6 Å²	6	33.4 Å²	33.4	5%	0.05	16%	0.156	C	C	.	.			trans	51.7	47	-175.9	0	0	0	0	0	112.3	D489 R490 V495 I498 K518	D489-A492 WeakPolarHBondContact O-CA 3.37Å; D489-A492 PolarHBondContact O-N 2.8Å; D489-A492 PolarHBondContact OD1-N 3Å; R490-A492 VanDerWaalsContact C-N 3.28Å; A492-V495 HydrophobicContact CB-CG2 4.04Å; A492-I498 HydrophobicContact CB-CD1 3.61Å; A492-I498 HydrophobicContact CB-CG1 3.61Å; A492-K518 HydrophobicContact CB-CD 3.93Å; A492-K518 PolarHBondContact O-NZ 3.36Å
493	E	96.6	Very high	96.1	Very high	103 Å²	103	33.9 Å²	33.9	48%	0.481	16%	0.16	S	C	.	.	S	Bend	trans	-64.2	-48.6	-179.5	-177.4	-169.6	161.5	0	0	110.7	Y464 R469 D489 D491	Y464-E493 WeakPolarHBondContact CE1-OE2 3.38Å; Y464-E493 PolarHBondContact OH-OE2 2.94Å; R469-E493 IonicContact CZ-OE1 3.55Å; R469-E493 IonicContact CZ-OE2 3.09Å; R469-E493 VanDerWaalsContact CZ-OE2 3.26Å; R469-E493 VanDerWaalsContact NE-CD 3.28Å; R469-E493 IonicContact NE-OE1 2.94Å; R469-E493 PolarHBondContact NE-OE1 2.99Å; R469-E493 IonicContact NE-OE2 3.94Å; R469-E493 PolarHBondContact NE-OE2 2.88Å; R469-E493 VanDerWaalsContact NE-OE2 3.09Å; R469-E493 IonicContact NH2-OE1 3.99Å; R469-E493 IonicContact NH2-OE2 3.43Å; R469-E493 PolarHBondContact NH2-OE2 2.7Å; D489-E493 VanDerWaalsContact CG-N 3.35Å; D489-E493 PolarHBondContact OD1-N 3.33Å; D489-E493 PolarHBondContact OD2-N 3.3Å; D489-E493 VanDerWaalsContact OD2-N 3.15Å; D491-E493 VanDerWaalsContact C-N 3.29Å; D491-E493 PolarHBondContact O-N 3.41Å
494	V	97.6	Very high	95.9	Very high	11 Å²	11	43 Å²	43	7%	0.067	19%	0.193	C	C	.	.	S	Bend	trans	-113.2	-38.4	-175.4	-62.5	0	0	0	0	113	Y464 R469 Y472 D489	Y464-V494 HydrophobicContact CE2-CG2 4.4Å; R469-V494 HydrophobicContact CG-CG1 4.08Å; Y472-V494 HydrophobicContact CD1-CB 3.7Å; Y472-V494 HydrophobicContact CD1-CG1 4.17Å; Y472-V494 HydrophobicContact CD2-CB 4.01Å; Y472-V494 HydrophobicContact CD2-CG2 4.28Å; Y472-V494 WeakPolarHBondContact CD2-O 3.49Å; Y472-V494 HydrophobicContact CE1-CB 4.16Å; Y472-V494 HydrophobicContact CE2-CB 4.47Å; Y472-V494 WeakPolarHBondContact CE2-O 3.47Å; Y472-V494 HydrophobicContact CG-CB 3.62Å; Y472-V494 HydrophobicContact CG-CG1 4.45Å; Y472-V494 HydrophobicContact CG-CG2 3.98Å; Y472-V494 PolarHBondContact OH-O 2.89Å; D489-V494 VanDerWaalsContact OD2-CG2 3.3Å; D489-V494 WeakPolarHBondContact OD2-CG2 3.4Å; D489-V494 PolarHBondContact OD2-N 3.46Å
495	V	97.6	Very high	95.8	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.206	C	C	.	.			trans	-61.6	150.3	-172.4	-64.1	0	0	0	0	113.9	D489 A492 I497 K518	D489-V495 HydrophobicContact CB-CG1 3.74Å; D489-V495 HydrophobicContact CB-CG2 4.04Å; D489-V495 WeakPolarHBondContact OD2-CG1 3.38Å; D489-V495 WeakPolarHBondContact OD2-CG2 3.14Å; D489-V495 PolarHBondContact OD2-N 3.49Å; A492-V495 HydrophobicContact CB-CG2 4.04Å; V495-I497 WeakPolarHBondContact CG2-O 3.43Å; V495-K518 VanDerWaalsContact O-CD 3.32Å; V495-K518 WeakPolarHBondContact O-CD 3.45Å; V495-K518 VanDerWaalsContact O-CE 3.29Å; V495-K518 WeakPolarHBondContact O-CE 3.42Å; V495-K518 PolarHBondContact O-NZ 3.27Å
496	D	97.7	Very high	95.8	Very high	32 Å²	32	49.7 Å²	49.7	17%	0.171	24%	0.236	C	C	.	.	S	Bend	trans	-81.2	-21.7	175.2	-67.9	-49.7	0	0	0	112	K476 L483 V484 P519	K476-D496 IonicContact NZ-OD2 3.35Å; K476-D496 PolarHBondContact NZ-OD2 3.11Å; L483-D496 WeakPolarHBondContact CA-OD2 3.49Å; L483-D496 HydrophobicContact CB-CB 3.98Å; L483-D496 HydrophobicContact CD2-CB 4.1Å; V484-D496 PolarHBondContact N-OD2 3.38Å; V484-D496 PolarHBondContact O-N 3.02Å; D496-P519 WeakPolarHBondContact O-CD 3.38Å
497	I	96.8	Very high	95.7	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-128.8	136.9	-176.7	-63.9	153.8	0	0	0	109.7	I455 L483 V484 V495 P519 I521	I455-I497 HydrophobicContact CB-CD1 4.49Å; I455-I497 HydrophobicContact CD1-CD1 3.65Å; I455-I497 HydrophobicContact CG1-CD1 3.66Å; I455-I497 HydrophobicContact CG2-CD1 3.95Å; L483-I497 HydrophobicContact CB-CD1 3.61Å; L483-I497 HydrophobicContact CB-CG1 4.23Å; L483-I497 HydrophobicContact CD1-CD1 3.61Å; L483-I497 HydrophobicContact CD1-CG1 3.92Å; L483-I497 HydrophobicContact CG-CD1 4.25Å; V484-I497 PolarHBondContact O-N 3.22Å; V495-I497 WeakPolarHBondContact CG2-O 3.43Å; I497-P519 WeakPolarHBondContact CA-O 3.27Å; I497-P519 HydrophobicContact CG1-CG 3.9Å; I497-I521 HydrophobicContact CD1-CD1 3.8Å; I497-I521 HydrophobicContact CG1-CD1 4.24Å; I497-I521 HydrophobicContact CG2-CB 3.77Å; I497-I521 HydrophobicContact CG2-CD1 3.92Å; I497-I521 HydrophobicContact CG2-CG1 3.71Å
498	I	96.3	Very high	95.7	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.041	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-86.2	135.6	170.3	-54.5	-164.2	0	0	0	110.1	A492 H516 K518 P519 R520 I521	A492-I498 HydrophobicContact CB-CD1 3.61Å; A492-I498 HydrophobicContact CB-CG1 3.61Å; I498-H516 HydrophobicContact CD1-CB 3.58Å; I498-H516 VanDerWaalsContact CD1-CD2 3.48Å; I498-H516 WeakPolarHBondContact CD1-CD2 3.19Å; I498-H516 VanDerWaalsContact CD1-ND1 3.25Å; I498-H516 WeakPolarHBondContact CD1-ND1 3.31Å; I498-K518 HydrophobicContact CG1-CB 4.12Å; I498-P519 PolarHBondContact N-O 3.34Å; I498-R520 CarbonylContact O-C 3.49Å; I498-R520 VanDerWaalsContact O-CA 3.25Å; I498-R520 WeakPolarHBondContact O-CA 3.5Å; I498-I521 PolarHBondContact O-N 3.19Å
499	S	96.6	Very high	95.7	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.021	25%	0.254	C	S	.	.			trans	-132.2	161.4	175.5	-172.2	0	0	0	0	110.8	H485 I521 C523	H485-S499 VanDerWaalsContact CD2-CB 3.49Å; H485-S499 WeakPolarHBondContact CD2-CB 3.2Å; H485-S499 WeakPolarHBondContact NE2-CB 2.99Å; H485-S499 PolarHBondContact NE2-OG 3.3Å; S499-I521 VanDerWaalsContact CA-O 3.27Å; S499-I521 WeakPolarHBondContact CA-O 3.38Å; S499-I521 WeakPolarHBondContact CB-O 3.49Å; S499-I521 PolarHBondContact OG-O 3.35Å; S499-C523 WeakPolarHBondContact OG-CB 3.31Å; S499-C523 PolarHBondContact OG-N 2.67Å; S499-C523 VanDerWaalsContact OG-N 3.08Å; S499-C523 PolarHBondContact OG-SG 3.09Å
500	T	94.6	Very high	95.8	Very high	30 Å²	30	57.5 Å²	57.5	18%	0.184	28%	0.276	C	S	.	.			trans	-152.4	163.9	175.7	50	0	0	0	0	107.7	T503 F511 I522	T500-T503 WeakPolarHBondContact CB-OG1 3.39Å; T500-T503 PolarHBondContact OG1-OG1 2.97Å; T500-F511 HydrophobicContact CG2-CE2 4.27Å; T500-I522 WeakPolarHBondContact O-CG2 3.32Å
501	M	94.8	Very high	96	Very high	37 Å²	37	51.7 Å²	51.7	18%	0.182	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-114.2	144.6	173.7	-63.4	160.9	152.6	0	0	111	N460 E461 E487 T503 E524	N460-M501 WeakPolarHBondContact OD1-CE 3.28Å; E461-M501 HydrophobicContact CG-CE 3.92Å; E461-M501 HydrophobicContact CG-SD 4.06Å; E487-M501 HydrophobicContact CG-CE 3.88Å; E487-M501 HydrophobicContact CG-SD 4.15Å; M501-T503 PolarHBondContact O-N 3.08Å; M501-T503 PolarHBondContact O-OG1 2.79Å; M501-E524 CarbonylContact C-O 3.6Å; M501-E524 WeakPolarHBondContact CA-O 3.38Å; M501-E524 HydrophobicContact CB-CB 4.26Å; M501-E524 HydrophobicContact CE-CG 4.23Å; M501-E524 WeakPolarHBondContact CE-OE1 3.41Å; M501-E524 HydrophobicContact CG-CB 4Å; M501-E524 HydrophobicContact CG-CG 4.32Å
502	Y	93.9	Very high	96.3	Very high	88 Å²	88	45 Å²	45	35%	0.345	22%	0.221	S	C	.	.	S	Bend	trans	44.2	33.3	170.8	-49.2	-70.6	0	0	0	116	R504 E524 H527 W555	Y502-R504 PolarHBondContact O-N 3.3Å; Y502-E524 HydrophobicContact CE1-CB 4.17Å; Y502-E524 HydrophobicContact CE2-CB 4.05Å; Y502-E524 VanDerWaalsContact CE2-OE2 3.31Å; Y502-E524 WeakPolarHBondContact CE2-OE2 3.49Å; Y502-E524 VanDerWaalsContact CZ-OE2 3.3Å; Y502-E524 PolarHBondContact N-O 2.76Å; Y502-E524 PolarHBondContact OH-OE2 3.16Å; Y502-H527 HydrophobicContact CE1-CB 3.87Å; Y502-W555 WeakPolarHBondContact OH-CB 3.45Å
503	T	95	Very high	96.4	Very high	17 Å²	17	49.2 Å²	49.2	10%	0.104	24%	0.24	C	C	.	.			trans	-71.6	116.1	-177.4	-69.2	0	0	0	0	110.3	T500 M501 L507 M508 F511 Y539	T500-T503 WeakPolarHBondContact CB-OG1 3.39Å; T500-T503 PolarHBondContact OG1-OG1 2.97Å; M501-T503 PolarHBondContact O-N 3.08Å; M501-T503 PolarHBondContact O-OG1 2.79Å; T503-L507 HydrophobicContact CG2-CB 4.01Å; T503-L507 HydrophobicContact CG2-CD2 3.99Å; T503-L507 HydrophobicContact CG2-CG 3.86Å; T503-M508 HydrophobicContact CG2-CB 4.3Å; T503-M508 HydrophobicContact CG2-CE 3.72Å; T503-F511 HydrophobicContact CG2-CD2 4.15Å; T503-F511 HydrophobicContact CG2-CE2 3.66Å; T503-F511 HydrophobicContact CG2-CZ 4.49Å; T503-Y539 WeakPolarHBondContact O-CE1 3.36Å; T503-Y539 PolarHBondContact O-OH 3.03Å
504	R	94.9	Very high	96.4	Very high	201 Å²	201	52.5 Å²	52.5	76%	0.758	25%	0.249	S	C	*	.			trans	-49.2	141	-179.1	-62.6	-178.9	176	170.2	-1.7	113.2	Y502 P506 L507 M508	Y502-R504 PolarHBondContact O-N 3.3Å; R504-P506 VanDerWaalsContact C-CD 3.47Å; R504-P506 VanDerWaalsContact O-N 3.12Å; R504-L507 PolarHBondContact O-N 2.88Å; R504-M508 PolarHBondContact O-N 3.18Å
505	V	95.9	Very high	96.3	Very high	42 Å²	42	55.6 Å²	55.6	26%	0.255	27%	0.27	S	S	.	.	H	α-helix	trans	-45.3	-45.7	-178	179.1	0	0	0	0	114.4	L507 M508 N509 E538 Y539 V542	V505-L507 PolarHBondContact O-N 3.21Å; V505-M508 PolarHBondContact O-N 2.97Å; V505-N509 PolarHBondContact O-N 2.78Å; V505-E538 HydrophobicContact CG1-CB 4.26Å; V505-E538 HydrophobicContact CG2-CB 4.05Å; V505-Y539 HydrophobicContact CG2-CD1 3.94Å; V505-Y539 HydrophobicContact CG2-CD2 3.88Å; V505-Y539 HydrophobicContact CG2-CE1 3.81Å; V505-Y539 HydrophobicContact CG2-CE2 3.78Å; V505-Y539 HydrophobicContact CG2-CG 3.96Å; V505-V542 HydrophobicContact CG1-CG2 3.75Å
506	P	97.5	Very high	96.2	Very high	99 Å²	99	59.1 Å²	59.1	64%	0.643	29%	0.286	S	S	*	.	H	α-helix	trans	-62.5	-41.8	178.9	-24.1	36.1	0	0	0	113.5	R504 N509 E510	R504-P506 VanDerWaalsContact C-CD 3.47Å; R504-P506 VanDerWaalsContact O-N 3.12Å; P506-N509 PolarHBondContact O-N 3.4Å; P506-E510 PolarHBondContact O-N 3Å
507	L	97	Very high	96	Very high	71 Å²	71	62.5 Å²	62.5	37%	0.372	31%	0.31	S	S	.	.	H	α-helix	trans	-70.9	-35.9	177.5	-179.7	57.8	0	0	0	111	T503 R504 V505 N509 E510 F511	T503-L507 HydrophobicContact CG2-CB 4.01Å; T503-L507 HydrophobicContact CG2-CD2 3.99Å; T503-L507 HydrophobicContact CG2-CG 3.86Å; R504-L507 PolarHBondContact O-N 2.88Å; V505-L507 PolarHBondContact O-N 3.21Å; L507-N509 VanDerWaalsContact C-N 3.29Å; L507-N509 PolarHBondContact O-N 3.14Å; L507-E510 HydrophobicContact CD1-CB 4.43Å; L507-E510 WeakPolarHBondContact O-CB 3.45Å; L507-E510 PolarHBondContact O-N 2.91Å; L507-E510 VanDerWaalsContact O-N 3.14Å; L507-F511 HydrophobicContact CD1-CD1 4.34Å; L507-F511 HydrophobicContact CD1-CE1 3.83Å; L507-F511 HydrophobicContact CD1-CZ 4.05Å; L507-F511 HydrophobicContact CD2-CZ 4.17Å; L507-F511 HydrophobicContact CG-CE1 4.15Å; L507-F511 HydrophobicContact CG-CE2 4.2Å; L507-F511 HydrophobicContact CG-CZ 3.88Å; L507-F511 WeakPolarHBondContact O-CG 3.44Å; L507-F511 PolarHBondContact O-N 3.46Å
508	M	96.8	Very high	96	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-40.7	172.5	-169.4	56.1	67.5	0	0	111.7	T503 R504 V505 E510 F511 G512 I522 V542 F543 I549	T503-M508 HydrophobicContact CG2-CB 4.3Å; T503-M508 HydrophobicContact CG2-CE 3.72Å; R504-M508 PolarHBondContact O-N 3.18Å; V505-M508 PolarHBondContact O-N 2.97Å; M508-E510 VanDerWaalsContact C-N 3.33Å; M508-F511 PolarHBondContact O-N 3.41Å; M508-F511 HydrophobicContact SD-CD2 4.23Å; M508-G512 PolarHBondContact O-N 3.45Å; M508-I522 HydrophobicContact CE-CD1 3.45Å; M508-I522 VanDerWaalsContact CE-CD1 3.45Å; M508-I522 HydrophobicContact CE-CG1 3.72Å; M508-I522 HydrophobicContact CE-CG2 4.39Å; M508-I522 HydrophobicContact SD-CD1 3.87Å; M508-I522 HydrophobicContact SD-CG1 4.23Å; M508-V542 HydrophobicContact CB-CG1 4.23Å; M508-V542 HydrophobicContact CG-CG1 3.84Å; M508-F543 HydrophobicContact CG-CD1 4.4Å; M508-F543 HydrophobicContact CG-CE1 3.73Å; M508-F543 HydrophobicContact SD-CE1 4.08Å; M508-I549 HydrophobicContact CG-CD1 4.11Å; M508-I549 HydrophobicContact SD-CD1 3.89Å; M508-I549 HydrophobicContact SD-CG2 4.31Å
509	N	97.8	Very high	96.1	Very high	35 Å²	35	64.5 Å²	64.5	19%	0.187	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-37.6	174.4	178.6	75.3	0	0	0	112	V505 P506 L507 G512 E513 V542 K545 H546	V505-N509 PolarHBondContact O-N 2.78Å; P506-N509 PolarHBondContact O-N 3.4Å; L507-N509 VanDerWaalsContact C-N 3.29Å; L507-N509 PolarHBondContact O-N 3.14Å; N509-G512 PolarHBondContact O-N 3.12Å; N509-E513 VanDerWaalsContact ND2-CD 3.29Å; N509-E513 PolarHBondContact ND2-OE1 3.38Å; N509-E513 WeakPolarHBondContact O-CG 3.43Å; N509-E513 PolarHBondContact O-N 2.91Å; N509-V542 HydrophobicContact CB-CG1 4.03Å; N509-V542 HydrophobicContact CB-CG2 4.06Å; N509-K545 PolarHBondContact OD1-NZ 2.85Å; N509-H546 PolarHBondContact O-NE2 2.92Å; N509-H546 PolarHBondContact OD1-NE2 3.04Å
510	E	97.9	Very high	96.1	Very high	101 Å²	101	65.6 Å²	65.6	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-42.3	174.2	-174.3	177	173.7	0	0	111.8	P506 L507 M508 G512 E513 Y514	P506-E510 PolarHBondContact O-N 3Å; L507-E510 HydrophobicContact CD1-CB 4.43Å; L507-E510 WeakPolarHBondContact O-CB 3.45Å; L507-E510 PolarHBondContact O-N 2.91Å; L507-E510 VanDerWaalsContact O-N 3.14Å; M508-E510 VanDerWaalsContact C-N 3.33Å; E510-G512 PolarHBondContact O-N 2.81Å; E510-E513 PolarHBondContact O-N 3.21Å; E510-E513 VanDerWaalsContact O-N 3.1Å; E510-Y514 HydrophobicContact CG-CD2 3.78Å; E510-Y514 HydrophobicContact CG-CE2 4.07Å; E510-Y514 WeakPolarHBondContact O-CD2 3.33Å; E510-Y514 PolarHBondContact O-N 2.94Å
511	F	95.3	Very high	96.2	Very high	52 Å²	52	64.2 Å²	64.2	23%	0.228	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-32.5	173.3	-67.8	-21.9	0	0	0	113.1	T500 T503 L507 M508 Y514	T500-F511 HydrophobicContact CG2-CE2 4.27Å; T503-F511 HydrophobicContact CG2-CD2 4.15Å; T503-F511 HydrophobicContact CG2-CE2 3.66Å; T503-F511 HydrophobicContact CG2-CZ 4.49Å; L507-F511 HydrophobicContact CD1-CD1 4.34Å; L507-F511 HydrophobicContact CD1-CE1 3.83Å; L507-F511 HydrophobicContact CD1-CZ 4.05Å; L507-F511 HydrophobicContact CD2-CZ 4.17Å; L507-F511 HydrophobicContact CG-CE1 4.15Å; L507-F511 HydrophobicContact CG-CE2 4.2Å; L507-F511 HydrophobicContact CG-CZ 3.88Å; L507-F511 WeakPolarHBondContact O-CG 3.44Å; L507-F511 PolarHBondContact O-N 3.46Å; M508-F511 PolarHBondContact O-N 3.41Å; M508-F511 HydrophobicContact SD-CD2 4.23Å; F511-Y514 CarbonylContact O-C 3.56Å
512	G	96.5	Very high	96.3	Very high	8 Å²	8	62.4 Å²	62.4	8%	0.082	30%	0.304	C	S	.	.	H	α-helix	trans	-73.3	-36.8	173.7	0	0	0	0	0	113.7	M508 N509 E510 Y514 H546	M508-G512 PolarHBondContact O-N 3.45Å; N509-G512 PolarHBondContact O-N 3.12Å; E510-G512 PolarHBondContact O-N 2.81Å; G512-Y514 VanDerWaalsContact C-N 3.31Å; G512-H546 VanDerWaalsContact CA-CG 3.41Å; G512-H546 PolarHBondContact O-ND1 2.77Å
513	E	98	Very high	96.5	Very high	95 Å²	95	58.2 Å²	58.2	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-71.6	-26.8	176.8	-71	174.4	-179.9	0	0	112.6	N509 E510 P515 K545	N509-E513 VanDerWaalsContact ND2-CD 3.29Å; N509-E513 PolarHBondContact ND2-OE1 3.38Å; N509-E513 WeakPolarHBondContact O-CG 3.43Å; N509-E513 PolarHBondContact O-N 2.91Å; E510-E513 PolarHBondContact O-N 3.21Å; E510-E513 VanDerWaalsContact O-N 3.1Å; E513-P515 WeakPolarHBondContact O-CD 3.3Å; E513-K545 IonicContact OE1-NZ 3.07Å; E513-K545 PolarHBondContact OE1-NZ 2.85Å
514	Y	96.7	Very high	96.6	Very high	172 Å²	172	57.8 Å²	57.8	68%	0.675	29%	0.285	S	S	*	.	S	Bend	trans	-124.2	70.2	177.3	-56.1	-72.3	0	0	0	111	E510 F511 G512	E510-Y514 HydrophobicContact CG-CD2 3.78Å; E510-Y514 HydrophobicContact CG-CE2 4.07Å; E510-Y514 WeakPolarHBondContact O-CD2 3.33Å; E510-Y514 PolarHBondContact O-N 2.94Å; F511-Y514 CarbonylContact O-C 3.56Å; G512-Y514 VanDerWaalsContact C-N 3.31Å
515	P	95.2	Very high	96.6	Very high	77 Å²	77	48.3 Å²	48.3	50%	0.5	25%	0.249	S	C	.	.			trans	-65.5	143.4	-172.5	27.6	-35.7	0	0	0	112.4	E513 C548	E513-P515 WeakPolarHBondContact O-CD 3.3Å; P515-C548 HydrophobicContact CB-CB 3.85Å
516	H	94.5	Very high	96.6	Very high	73 Å²	73	46.6 Å²	46.6	34%	0.338	24%	0.239	S	C	.	.			trans	-77	155.3	168.9	-168.8	-89.2	0	0	0	110.9	I498 K518	I498-H516 HydrophobicContact CD1-CB 3.58Å; I498-H516 VanDerWaalsContact CD1-CD2 3.48Å; I498-H516 WeakPolarHBondContact CD1-CD2 3.19Å; I498-H516 VanDerWaalsContact CD1-ND1 3.25Å; I498-H516 WeakPolarHBondContact CD1-ND1 3.31Å; H516-K518 WeakPolarHBondContact ND1-CB 3.44Å; H516-K518 PolarHBondContact ND1-N 2.47Å; H516-K518 PolarHBondContact O-N 2.94Å
517	P	94.7	Very high	96.4	Very high	103 Å²	103	43.4 Å²	43.4	67%	0.669	22%	0.216	S	C	*	.	S	Bend	trans	-61.4	0.1	170.8	-27	35.4	0	0	0	116.7	G337	G337-P517 VanDerWaalsContact CA-O 3.29Å; G337-P517 WeakPolarHBondContact CA-O 3.29Å
518	K	96.6	Very high	96.4	Very high	51 Å²	51	40.1 Å²	40.1	22%	0.222	20%	0.198	C	C	.	.	S	Bend	trans	-123.4	146.3	179.6	-68.1	179.9	176.7	179.4	0	108.4	G337 A492 V495 I498 H516	G337-K518 CarbonylContact O-C 3.53Å; A492-K518 HydrophobicContact CB-CD 3.93Å; A492-K518 PolarHBondContact O-NZ 3.36Å; V495-K518 VanDerWaalsContact O-CD 3.32Å; V495-K518 WeakPolarHBondContact O-CD 3.45Å; V495-K518 VanDerWaalsContact O-CE 3.29Å; V495-K518 WeakPolarHBondContact O-CE 3.42Å; V495-K518 PolarHBondContact O-NZ 3.27Å; I498-K518 HydrophobicContact CG1-CB 4.12Å; H516-K518 WeakPolarHBondContact ND1-CB 3.44Å; H516-K518 PolarHBondContact ND1-N 2.47Å; H516-K518 PolarHBondContact O-N 2.94Å
519	P	97	Very high	96.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.			trans	-59.6	150.8	177.4	26.1	-36.1	0	0	0	111.1	V334 G337 F339 D496 I497 I498	V334-P519 HydrophobicContact CG1-CG 4.46Å; V334-P519 HydrophobicContact CG2-CG 4.24Å; G337-P519 WeakPolarHBondContact O-CA 3.39Å; G337-P519 VanDerWaalsContact O-N 3.08Å; F339-P519 HydrophobicContact CB-CB 4.44Å; F339-P519 HydrophobicContact CB-CG 4.23Å; F339-P519 HydrophobicContact CD1-CB 4.04Å; D496-P519 WeakPolarHBondContact O-CD 3.38Å; I497-P519 WeakPolarHBondContact CA-O 3.27Å; I497-P519 HydrophobicContact CG1-CG 3.9Å; I498-P519 PolarHBondContact N-O 3.34Å
520	R	97.4	Very high	96.1	Very high	26 Å²	26	39.7 Å²	39.7	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.7	174.8	-176.4	178	-65.7	-82.6	0.3	110.6	I498 I522 C548 I549 Q550	I498-R520 CarbonylContact O-C 3.49Å; I498-R520 VanDerWaalsContact O-CA 3.25Å; I498-R520 WeakPolarHBondContact O-CA 3.5Å; R520-I522 HydrophobicContact CG-CD1 3.59Å; R520-C548 WeakPolarHBondContact CB-O 3.45Å; R520-C548 PolarHBondContact N-O 2.77Å; R520-I549 HydrophobicContact CG-CG2 4.47Å; R520-I549 CarbonylContact O-C 3.58Å; R520-I549 WeakPolarHBondContact O-CA 3.37Å; R520-Q550 PolarHBondContact O-N 3.17Å
521	I	97.5	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.7	173.3	-55.8	176.3	0	0	0	107	F339 L348 M407 I455 I497 I498 S499 G551 Y553	F339-I521 HydrophobicContact CD1-CD1 3.98Å; F339-I521 HydrophobicContact CE1-CD1 3.4Å; F339-I521 HydrophobicContact CE1-CG1 3.96Å; F339-I521 HydrophobicContact CZ-CD1 4Å; L348-I521 HydrophobicContact CD1-CD1 3.81Å; L348-I521 HydrophobicContact CD1-CG2 4.16Å; M407-I521 HydrophobicContact CE-CG2 4.24Å; I455-I521 HydrophobicContact CD1-CD1 3.73Å; I497-I521 HydrophobicContact CD1-CD1 3.8Å; I497-I521 HydrophobicContact CG1-CD1 4.24Å; I497-I521 HydrophobicContact CG2-CB 3.77Å; I497-I521 HydrophobicContact CG2-CD1 3.92Å; I497-I521 HydrophobicContact CG2-CG1 3.71Å; I498-I521 PolarHBondContact O-N 3.19Å; S499-I521 VanDerWaalsContact CA-O 3.27Å; S499-I521 WeakPolarHBondContact CA-O 3.38Å; S499-I521 WeakPolarHBondContact CB-O 3.49Å; S499-I521 PolarHBondContact OG-O 3.35Å; I521-G551 WeakPolarHBondContact CA-O 3.12Å; I521-Y553 HydrophobicContact CG2-CD2 4.32Å; I521-Y553 HydrophobicContact CG2-CE2 3.74Å
522	I	97.2	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	107.7	-172.1	-46	-54.6	0	0	0	109.1	T500 M508 R520 E524 F543 I549 G551 H552 Y553	T500-I522 WeakPolarHBondContact O-CG2 3.32Å; M508-I522 HydrophobicContact CE-CD1 3.45Å; M508-I522 VanDerWaalsContact CE-CD1 3.45Å; M508-I522 HydrophobicContact CE-CG1 3.72Å; M508-I522 HydrophobicContact CE-CG2 4.39Å; M508-I522 HydrophobicContact SD-CD1 3.87Å; M508-I522 HydrophobicContact SD-CG1 4.23Å; R520-I522 HydrophobicContact CG-CD1 3.59Å; I522-E524 WeakPolarHBondContact CG2-O 3.38Å; I522-E524 PolarHBondContact O-N 2.69Å; I522-F543 HydrophobicContact CG1-CE1 4.33Å; I522-F543 HydrophobicContact CG1-CZ 4.49Å; I522-I549 HydrophobicContact CG1-CG2 4.36Å; I522-G551 PolarHBondContact N-O 3.48Å; I522-H552 HydrophobicContact CB-CB 4.19Å; I522-H552 CarbonylContact O-C 3.6Å; I522-H552 WeakPolarHBondContact O-CA 3.48Å; I522-Y553 PolarHBondContact O-N 2.91Å
523	C	97.7	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-25.7	-178.2	61.1	0	0	0	0	113.3	N352 S499 Y553	N352-C523 PolarHBondContact ND2-O 3.19Å; N352-C523 PolarHBondContact OD1-O 3.05Å; S499-C523 WeakPolarHBondContact OG-CB 3.31Å; S499-C523 PolarHBondContact OG-N 2.67Å; S499-C523 VanDerWaalsContact OG-N 3.08Å; S499-C523 PolarHBondContact OG-SG 3.09Å; C523-Y553 VanDerWaalsContact O-CB 3.3Å; C523-Y553 WeakPolarHBondContact O-CB 3.37Å
524	E	97	Very high	95.8	Very high	7 Å²	7	28.4 Å²	28.4	3%	0.033	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	116.1	173	-58.2	178.2	-165.8	0	0	109.4	R385 H388 M501 Y502 I522 Y553 W555	R385-E524 IonicContact CZ-OE1 2.84Å; R385-E524 IonicContact NH1-OE1 3.88Å; R385-E524 PolarHBondContact NH1-OE1 3.01Å; H388-E524 IonicContact CE1-OE1 2.91Å; M501-E524 CarbonylContact C-O 3.6Å; M501-E524 WeakPolarHBondContact CA-O 3.38Å; M501-E524 HydrophobicContact CB-CB 4.26Å; M501-E524 HydrophobicContact CE-CG 4.23Å; M501-E524 WeakPolarHBondContact CE-OE1 3.41Å; M501-E524 HydrophobicContact CG-CB 4Å; M501-E524 HydrophobicContact CG-CG 4.32Å; Y502-E524 HydrophobicContact CE1-CB 4.17Å; Y502-E524 HydrophobicContact CE2-CB 4.05Å; Y502-E524 VanDerWaalsContact CE2-OE2 3.31Å; Y502-E524 WeakPolarHBondContact CE2-OE2 3.49Å; Y502-E524 VanDerWaalsContact CZ-OE2 3.3Å; Y502-E524 PolarHBondContact N-O 2.76Å; Y502-E524 PolarHBondContact OH-OE2 3.16Å; I522-E524 WeakPolarHBondContact CG2-O 3.38Å; I522-E524 PolarHBondContact O-N 2.69Å; E524-Y553 WeakPolarHBondContact CA-O 3.4Å; E524-W555 HydrophobicContact CB-CB 4.42Å; E524-W555 HydrophobicContact CG-CB 4.27Å; E524-W555 HydrophobicContact CG-CE3 4.2Å
525	Y	95.3	Very high	95.8	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-22.1	-179.2	84.3	-77.4	0	0	0	114.2	L536 Y539 F543 H552 Y553 V554 Y607	Y525-L536 HydrophobicContact CE2-CD2 3.79Å; Y525-L536 WeakPolarHBondContact OH-CD2 3.36Å; Y525-Y539 AromaticContact CD2-CD1 3.99Å; Y525-Y539 HydrophobicContact CD2-CD1 3.99Å; Y525-Y539 AromaticContact CD2-CD2 3.7Å; Y525-Y539 HydrophobicContact CD2-CD2 3.7Å; Y525-Y539 HydrophobicContact CD2-CE1 4.5Å; Y525-Y539 HydrophobicContact CD2-CE2 4.23Å; Y525-Y539 AromaticContact CD2-CG 3.56Å; Y525-Y539 HydrophobicContact CD2-CG 3.56Å; Y525-Y539 HydrophobicContact CE2-CD2 4.05Å; Y525-Y539 AromaticContact CE2-CG 3.99Å; Y525-Y539 HydrophobicContact CE2-CG 3.99Å; Y525-F543 HydrophobicContact CD2-CE2 4.18Å; Y525-F543 HydrophobicContact CD2-CZ 4.25Å; Y525-F543 HydrophobicContact CE2-CE2 4.32Å; Y525-F543 HydrophobicContact CG-CZ 4.44Å; Y525-H552 HydrophobicContact CD1-CB 3.56Å; Y525-H552 AromaticContact CD1-ND1 3.89Å; Y525-H552 HydrophobicContact CE1-CB 3.94Å; Y525-H552 AromaticContact CE1-CG 3.87Å; Y525-H552 AromaticContact CE1-ND1 3.29Å; Y525-H552 VanDerWaalsContact CE1-ND1 3.29Å; Y525-H552 WeakPolarHBondContact CE1-ND1 3.49Å; Y525-H552 HydrophobicContact CG-CB 4.03Å; Y525-H552 AromaticContact CZ-ND1 3.61Å; Y525-Y553 VanDerWaalsContact CD1-O 3.27Å; Y525-Y553 WeakPolarHBondContact CD1-O 3.42Å; Y525-Y553 PolarHBondContact N-O 3.28Å; Y525-V554 HydrophobicContact CD1-CG2 4.42Å; Y525-V554 HydrophobicContact CE1-CB 4.33Å; Y525-V554 HydrophobicContact CE1-CG2 3.41Å; Y525-V554 VanDerWaalsContact CE1-CG2 3.41Å; Y525-Y607 WeakPolarHBondContact OH-CE2 3.33Å
526	A	95.8	Very high	95.9	Very high	6 Å²	6	17.2 Å²	17.2	5%	0.05	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.4	-175.4	0	0	0	0	0	109.1	P533 L536 W555	A526-P533 HydrophobicContact CB-CB 3.86Å; A526-P533 HydrophobicContact CB-CG 4.26Å; A526-L536 HydrophobicContact CB-CD2 3.62Å; A526-W555 PolarHBondContact O-N 3.15Å
527	H	93.8	Very high	96	Very high	32 Å²	32	15 Å²	15	15%	0.148	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.3	-177.7	-162.9	-110.9	0	0	0	109.9	Y502 M529 P533 W555 F588 N782	Y502-H527 HydrophobicContact CE1-CB 3.87Å; H527-M529 WeakPolarHBondContact CE1-CB 3.31Å; H527-M529 WeakPolarHBondContact ND1-CB 3.28Å; H527-M529 PolarHBondContact O-N 2.69Å; H527-P533 WeakPolarHBondContact O-CB 3.17Å; H527-W555 CarbonylContact C-O 3.56Å; H527-W555 VanDerWaalsContact CA-O 3.26Å; H527-W555 WeakPolarHBondContact CA-O 3.49Å; H527-W555 AromaticContact CD2-CD1 3.27Å; H527-W555 AromaticContact NE2-CD1 3.46Å; H527-W555 AromaticContact NE2-NE1 3.89Å; H527-F588 AromaticContact NE2-CZ 3.91Å; H527-N782 PolarHBondContact ND1-OD1 3.32Å; H527-N782 PolarHBondContact O-ND2 2.77Å
528	A	96.2	Very high	96.1	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.008	8%	0.078	C	C	.	.			trans	-86.6	14	-171.6	0	0	0	0	0	113.7	G530 P533 V554 W555 D591 L593	A528-G530 PolarHBondContact O-N 2.72Å; A528-P533 HydrophobicContact CB-CG 4.38Å; A528-V554 HydrophobicContact CB-CG1 4.07Å; A528-W555 WeakPolarHBondContact CB-O 3.41Å; A528-W555 PolarHBondContact N-O 3.45Å; A528-D591 WeakPolarHBondContact CB-O 3.25Å; A528-L593 HydrophobicContact CB-CD2 3.98Å; A528-L593 HydrophobicContact CB-CG 4.04Å
529	M	94.6	Very high	96.1	Very high	11 Å²	11	12.8 Å²	12.8	5%	0.054	7%	0.073	C	C	.	.			trans	-50.6	123.8	176.9	-168.4	178.6	-168.9	0	0	114.8	H527 N531 F588 L590 D591 D781 N782	H527-M529 WeakPolarHBondContact CE1-CB 3.31Å; H527-M529 WeakPolarHBondContact ND1-CB 3.28Å; H527-M529 PolarHBondContact O-N 2.69Å; M529-N531 PolarHBondContact O-N 2.91Å; M529-F588 HydrophobicContact CE-CB 4.37Å; M529-F588 HydrophobicContact CE-CD2 3.91Å; M529-F588 HydrophobicContact CE-CG 4.48Å; M529-F588 HydrophobicContact SD-CD2 4.1Å; M529-F588 HydrophobicContact SD-CE2 4.38Å; M529-L590 WeakPolarHBondContact CA-O 3.2Å; M529-D591 HydrophobicContact CB-CB 4.07Å; M529-D781 HydrophobicContact CE-CB 4.46Å; M529-D781 VanDerWaalsContact CE-CG 3.42Å; M529-D781 WeakPolarHBondContact CE-OD2 3.14Å; M529-D781 HydrophobicContact CG-CB 4Å; M529-D781 WeakPolarHBondContact CG-OD2 3.21Å; M529-D781 HydrophobicContact SD-CB 4.41Å; M529-N782 PolarHBondContact O-ND2 2.76Å
530	G	94.1	Very high	96.1	Very high	15 Å²	15	12.9 Å²	12.9	16%	0.155	7%	0.073	C	C	.	.	S	Bend	trans	55.8	-120.7	175.9	0	0	0	0	0	112.8	A528 G532 L590 Y912	A528-G530 PolarHBondContact O-N 2.72Å; G530-G532 PolarHBondContact O-N 2.92Å; G530-L590 PolarHBondContact N-O 3.22Å; G530-Y912 VanDerWaalsContact O-CE1 3.28Å; G530-Y912 WeakPolarHBondContact O-CE1 3.4Å
531	N	95.6	Very high	96.1	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.011	9%	0.094	C	C	.	.	S	Bend	trans	-83.2	86.5	170.5	-162	-26.1	0	0	0	110.1	M529 I780 E887 Y889 Y912 Q916 N917 L983	M529-N531 PolarHBondContact O-N 2.91Å; N531-I780 HydrophobicContact CB-CG2 4.16Å; N531-I780 WeakPolarHBondContact O-CG2 3.36Å; N531-E887 PolarHBondContact ND2-OE1 2.82Å; N531-E887 VanDerWaalsContact ND2-OE1 3.07Å; N531-E887 PolarHBondContact OD1-OE1 3.03Å; N531-Y889 WeakPolarHBondContact ND2-CE2 3.41Å; N531-Y889 PolarHBondContact ND2-OH 3.39Å; N531-Y889 VanDerWaalsContact ND2-OH 3.13Å; N531-Y912 HydrophobicContact CB-CE1 4.36Å; N531-Y912 HydrophobicContact CB-CE2 4.07Å; N531-Y912 PolarHBondContact ND2-OH 2.84Å; N531-Y912 PolarHBondContact OD1-OH 3.26Å; N531-Q916 HydrophobicContact CB-CG 4.26Å; N531-Q916 VanDerWaalsContact N-CD 3.33Å; N531-N917 PolarHBondContact ND2-O 2.97Å; N531-N917 VanDerWaalsContact ND2-O 3.11Å; N531-L983 HydrophobicContact CB-CD2 4.41Å; N531-L983 WeakPolarHBondContact OD1-CD1 3.39Å; N531-L983 WeakPolarHBondContact OD1-CD2 3.35Å
532	G	94.5	Very high	96.1	Very high	5 Å²	5	16.9 Å²	16.9	5%	0.052	10%	0.097	C	C	.	.			trans	-164.8	-175.4	-179.2	0	0	0	0	0	112.4	G530 G603	G530-G532 PolarHBondContact O-N 2.92Å; G532-G603 VanDerWaalsContact O-CA 3.3Å; G532-G603 WeakPolarHBondContact O-CA 3.31Å
533	P	96	Very high	96.1	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.013	10%	0.097	C	C	.	.			cis	-81	155.6	-8.8	31.8	-33.2	0	0	0	112.6	A526 H527 A528 L536 V554 L593	A526-P533 HydrophobicContact CB-CB 3.86Å; A526-P533 HydrophobicContact CB-CG 4.26Å; H527-P533 WeakPolarHBondContact O-CB 3.17Å; A528-P533 HydrophobicContact CB-CG 4.38Å; P533-L536 HydrophobicContact CB-CD2 4.03Å; P533-L536 HydrophobicContact CG-CD1 3.94Å; P533-L536 HydrophobicContact CG-CD2 3.63Å; P533-L536 HydrophobicContact CG-CG 3.99Å; P533-V554 HydrophobicContact CG-CG1 4.32Å; P533-L593 HydrophobicContact CG-CD2 4.33Å
534	G	94.9	Very high	96	Very high	11 Å²	11	19.1 Å²	19.1	11%	0.113	11%	0.106	C	C	.	.			trans	-95.3	163.9	168.6	0	0	0	0	0	113.4	L536 D891	G534-L536 VanDerWaalsContact C-N 3.31Å; G534-L536 PolarHBondContact O-N 3.1Å; G534-D891 VanDerWaalsContact CA-OD2 3.22Å; G534-D891 WeakPolarHBondContact CA-OD2 3.33Å
535	G	95.8	Very high	96	Very high	13 Å²	13	24.5 Å²	24.5	13%	0.134	13%	0.129	C	C	.	.			trans	75.9	12.6	167.5	0	0	0	0	0	115.6	T537 E538 Y539 D891	G535-T537 VanDerWaalsContact C-N 3.28Å; G535-T537 PolarHBondContact O-N 3.44Å; G535-E538 VanDerWaalsContact C-OE2 3.24Å; G535-E538 VanDerWaalsContact CA-OE2 3.27Å; G535-E538 WeakPolarHBondContact CA-OE2 3.48Å; G535-E538 PolarHBondContact O-N 3.23Å; G535-Y539 WeakPolarHBondContact O-CD2 3.31Å; G535-Y539 PolarHBondContact O-N 3Å; G535-D891 PolarHBondContact N-O 3.08Å; G535-D891 PolarHBondContact N-OD2 2.95Å
536	L	97.6	Very high	96.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-37.2	-176.2	-62.4	-172.1	0	0	0	112.7	Y525 A526 P533 G534 Q540 E606 Y607 V610	Y525-L536 HydrophobicContact CE2-CD2 3.79Å; Y525-L536 WeakPolarHBondContact OH-CD2 3.36Å; A526-L536 HydrophobicContact CB-CD2 3.62Å; P533-L536 HydrophobicContact CB-CD2 4.03Å; P533-L536 HydrophobicContact CG-CD1 3.94Å; P533-L536 HydrophobicContact CG-CD2 3.63Å; P533-L536 HydrophobicContact CG-CG 3.99Å; G534-L536 VanDerWaalsContact C-N 3.31Å; G534-L536 PolarHBondContact O-N 3.1Å; L536-Q540 WeakPolarHBondContact O-CB 3.33Å; L536-Q540 PolarHBondContact O-N 2.83Å; L536-E606 HydrophobicContact CD1-CG 4.3Å; L536-Y607 HydrophobicContact CD1-CD2 3.95Å; L536-Y607 HydrophobicContact CD1-CG 4.25Å; L536-V610 HydrophobicContact CB-CB 4.38Å; L536-V610 HydrophobicContact CB-CG1 4.07Å; L536-V610 HydrophobicContact CB-CG2 4.03Å
537	T	97.1	Very high	96.1	Very high	26 Å²	26	29.5 Å²	29.5	16%	0.16	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-40.8	-178.5	-62.9	0	0	0	0	111.2	G535 Q540 N541 V610 Q894	G535-T537 VanDerWaalsContact C-N 3.28Å; G535-T537 PolarHBondContact O-N 3.44Å; T537-Q540 PolarHBondContact O-N 2.88Å; T537-N541 WeakPolarHBondContact O-CB 3.21Å; T537-N541 PolarHBondContact O-N 2.75Å; T537-N541 PolarHBondContact O-ND2 2.94Å; T537-N541 VanDerWaalsContact O-ND2 3.16Å; T537-V610 WeakPolarHBondContact OG1-CG2 3.15Å; T537-Q894 WeakPolarHBondContact OG1-CG 3.3Å
538	E	96.3	Very high	96.3	Very high	80 Å²	80	28.8 Å²	28.8	37%	0.374	15%	0.153	S	C	.	.	H	α-helix	trans	-62	-46.4	179.5	-70.2	71.3	-166.5	0	0	110.6	V505 G535 V542	V505-E538 HydrophobicContact CG1-CB 4.26Å; V505-E538 HydrophobicContact CG2-CB 4.05Å; G535-E538 VanDerWaalsContact C-OE2 3.24Å; G535-E538 VanDerWaalsContact CA-OE2 3.27Å; G535-E538 WeakPolarHBondContact CA-OE2 3.48Å; G535-E538 PolarHBondContact O-N 3.23Å; E538-V542 PolarHBondContact O-N 3.14Å
539	Y	97.2	Very high	96.3	Very high	27 Å²	27	28.8 Å²	28.8	11%	0.106	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-50.6	172	-83.4	-70	0	0	0	112.3	T503 V505 Y525 G535 N541 V542 F543	T503-Y539 WeakPolarHBondContact O-CE1 3.36Å; T503-Y539 PolarHBondContact O-OH 3.03Å; V505-Y539 HydrophobicContact CG2-CD1 3.94Å; V505-Y539 HydrophobicContact CG2-CD2 3.88Å; V505-Y539 HydrophobicContact CG2-CE1 3.81Å; V505-Y539 HydrophobicContact CG2-CE2 3.78Å; V505-Y539 HydrophobicContact CG2-CG 3.96Å; Y525-Y539 AromaticContact CD2-CD1 3.99Å; Y525-Y539 HydrophobicContact CD2-CD1 3.99Å; Y525-Y539 AromaticContact CD2-CD2 3.7Å; Y525-Y539 HydrophobicContact CD2-CD2 3.7Å; Y525-Y539 HydrophobicContact CD2-CE1 4.5Å; Y525-Y539 HydrophobicContact CD2-CE2 4.23Å; Y525-Y539 AromaticContact CD2-CG 3.56Å; Y525-Y539 HydrophobicContact CD2-CG 3.56Å; Y525-Y539 HydrophobicContact CE2-CD2 4.05Å; Y525-Y539 AromaticContact CE2-CG 3.99Å; Y525-Y539 HydrophobicContact CE2-CG 3.99Å; G535-Y539 WeakPolarHBondContact O-CD2 3.31Å; G535-Y539 PolarHBondContact O-N 3Å; Y539-N541 PolarHBondContact O-N 2.89Å; Y539-V542 WeakPolarHBondContact O-CA 3.16Å; Y539-V542 WeakPolarHBondContact O-CB 3.38Å; Y539-V542 PolarHBondContact O-N 3.08Å; Y539-F543 HydrophobicContact CD1-CE1 4.41Å; Y539-F543 HydrophobicContact CD1-CE2 4.47Å; Y539-F543 AromaticContact CD1-CZ 3.84Å; Y539-F543 HydrophobicContact CD1-CZ 3.84Å; Y539-F543 HydrophobicContact CG-CZ 4.31Å; Y539-F543 VanDerWaalsContact O-CD2 3.29Å; Y539-F543 WeakPolarHBondContact O-CD2 3.44Å; Y539-F543 VanDerWaalsContact O-CG 3.29Å; Y539-F543 WeakPolarHBondContact O-CG 3.39Å; Y539-F543 PolarHBondContact O-N 3Å
540	Q	97.3	Very high	96.4	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-36.4	-177.7	-166.9	65.2	51.1	0	0	112.4	H349 L536 T537 V542 F543 Y544 H552 V610	H349-Q540 PolarHBondContact NE2-NE2 2.96Å; L536-Q540 WeakPolarHBondContact O-CB 3.33Å; L536-Q540 PolarHBondContact O-N 2.83Å; T537-Q540 PolarHBondContact O-N 2.88Å; Q540-V542 VanDerWaalsContact C-N 3.32Å; Q540-V542 PolarHBondContact O-N 3.43Å; Q540-F543 PolarHBondContact O-N 3.47Å; Q540-Y544 HydrophobicContact CG-CD2 3.84Å; Q540-Y544 HydrophobicContact CG-CE2 3.41Å; Q540-Y544 VanDerWaalsContact CG-CE2 3.41Å; Q540-Y544 VanDerWaalsContact NE2-CZ 3.3Å; Q540-Y544 WeakPolarHBondContact O-CD2 3.46Å; Q540-Y544 PolarHBondContact O-N 2.91Å; Q540-H552 PolarHBondContact OE1-CE1 3.46Å; Q540-H552 VanDerWaalsContact OE1-CE1 3.26Å; Q540-H552 PolarHBondContact OE1-NE2 2.99Å; Q540-V610 HydrophobicContact CB-CG1 3.61Å; Q540-V610 HydrophobicContact CG-CG1 3.96Å
541	N	96.7	Very high	96.5	Very high	98 Å²	98	27.5 Å²	27.5	52%	0.524	14%	0.143	S	C	.	.	H	α-helix	trans	-63.5	-37.5	175.1	-72.7	-26.1	0	0	0	112.3	T537 Y539 K545	T537-N541 WeakPolarHBondContact O-CB 3.21Å; T537-N541 PolarHBondContact O-N 2.75Å; T537-N541 PolarHBondContact O-ND2 2.94Å; T537-N541 VanDerWaalsContact O-ND2 3.16Å; Y539-N541 PolarHBondContact O-N 2.89Å; N541-K545 WeakPolarHBondContact O-CB 3.44Å; N541-K545 PolarHBondContact O-N 2.81Å
542	V	97.7	Very high	96.6	Very high	12 Å²	12	27.4 Å²	27.4	7%	0.073	14%	0.142	C	C	.	.	H	α-helix	trans	-67.1	-44.9	173.9	174.7	0	0	0	0	110.6	V505 M508 N509 E538 Y539 Q540 Y544 K545 H546 I549	V505-V542 HydrophobicContact CG1-CG2 3.75Å; M508-V542 HydrophobicContact CB-CG1 4.23Å; M508-V542 HydrophobicContact CG-CG1 3.84Å; N509-V542 HydrophobicContact CB-CG1 4.03Å; N509-V542 HydrophobicContact CB-CG2 4.06Å; E538-V542 PolarHBondContact O-N 3.14Å; Y539-V542 WeakPolarHBondContact O-CA 3.16Å; Y539-V542 WeakPolarHBondContact O-CB 3.38Å; Y539-V542 PolarHBondContact O-N 3.08Å; Q540-V542 VanDerWaalsContact C-N 3.32Å; Q540-V542 PolarHBondContact O-N 3.43Å; V542-Y544 PolarHBondContact O-N 3.28Å; V542-K545 WeakPolarHBondContact O-CB 3Å; V542-K545 PolarHBondContact O-N 2.74Å; V542-H546 PolarHBondContact O-CD2 3.12Å; V542-H546 PolarHBondContact O-N 3.39Å; V542-I549 HydrophobicContact CG1-CD1 4.19Å
543	F	97.2	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-42.5	179.2	-53.9	-34.3	0	0	0	112	M347 M508 I522 Y525 Y539 Q540 K545 H546 I549 H552	M347-F543 HydrophobicContact CE-CB 4.06Å; M347-F543 VanDerWaalsContact CE-O 3.27Å; M347-F543 WeakPolarHBondContact CE-O 3.39Å; M347-F543 HydrophobicContact SD-CB 4Å; M508-F543 HydrophobicContact CG-CD1 4.4Å; M508-F543 HydrophobicContact CG-CE1 3.73Å; M508-F543 HydrophobicContact SD-CE1 4.08Å; I522-F543 HydrophobicContact CG1-CE1 4.33Å; I522-F543 HydrophobicContact CG1-CZ 4.49Å; Y525-F543 HydrophobicContact CD2-CE2 4.18Å; Y525-F543 HydrophobicContact CD2-CZ 4.25Å; Y525-F543 HydrophobicContact CE2-CE2 4.32Å; Y525-F543 HydrophobicContact CG-CZ 4.44Å; Y539-F543 HydrophobicContact CD1-CE1 4.41Å; Y539-F543 HydrophobicContact CD1-CE2 4.47Å; Y539-F543 AromaticContact CD1-CZ 3.84Å; Y539-F543 HydrophobicContact CD1-CZ 3.84Å; Y539-F543 HydrophobicContact CG-CZ 4.31Å; Y539-F543 VanDerWaalsContact O-CD2 3.29Å; Y539-F543 WeakPolarHBondContact O-CD2 3.44Å; Y539-F543 VanDerWaalsContact O-CG 3.29Å; Y539-F543 WeakPolarHBondContact O-CG 3.39Å; Y539-F543 PolarHBondContact O-N 3Å; Q540-F543 PolarHBondContact O-N 3.47Å; F543-K545 PolarHBondContact O-N 2.76Å; F543-H546 PolarHBondContact O-N 3.17Å; F543-I549 HydrophobicContact CD1-CB 4.14Å; F543-I549 HydrophobicContact CD1-CD1 4.48Å; F543-I549 HydrophobicContact CD1-CG2 3.42Å; F543-I549 VanDerWaalsContact CD1-CG2 3.42Å; F543-I549 HydrophobicContact CE1-CG2 3.74Å; F543-I549 HydrophobicContact CG-CG2 4.4Å; F543-H552 AromaticContact CD2-CD2 3.03Å; F543-H552 WeakPolarHBondContact CD2-CD2 3.35Å; F543-H552 AromaticContact CD2-CG 3.86Å; F543-H552 AromaticContact CD2-NE2 3.38Å; F543-H552 WeakPolarHBondContact CD2-NE2 3.3Å; F543-H552 HydrophobicContact CE2-CB 3.82Å; F543-H552 AromaticContact CE2-CD2 3.12Å; F543-H552 WeakPolarHBondContact CE2-CD2 3.22Å; F543-H552 AromaticContact CE2-CG 3.43Å; F543-H552 VanDerWaalsContact CE2-CG 3.43Å; F543-H552 AromaticContact CE2-NE2 3.72Å; F543-H552 AromaticContact CG-CD2 3.9Å; F543-H552 HydrophobicContact CZ-CB 4.04Å
544	Y	95.6	Very high	96.9	Very high	47 Å²	47	27.1 Å²	27.1	18%	0.184	14%	0.139	C	C	.	.	H	α-helix	trans	-70.5	-16.7	175.2	-70.5	-37.6	0	0	0	114.6	M347 Q540 V542 K631	M347-Y544 HydrophobicContact CE-CD1 3.88Å; M347-Y544 HydrophobicContact CE-CE1 4.34Å; M347-Y544 HydrophobicContact SD-CD1 3.83Å; M347-Y544 HydrophobicContact SD-CE1 3.74Å; Q540-Y544 HydrophobicContact CG-CD2 3.84Å; Q540-Y544 HydrophobicContact CG-CE2 3.41Å; Q540-Y544 VanDerWaalsContact CG-CE2 3.41Å; Q540-Y544 VanDerWaalsContact NE2-CZ 3.3Å; Q540-Y544 WeakPolarHBondContact O-CD2 3.46Å; Q540-Y544 PolarHBondContact O-N 2.91Å; V542-Y544 PolarHBondContact O-N 3.28Å; Y544-K631 HydrophobicContact CE1-CD 4.14Å; Y544-K631 HydrophobicContact CE1-CG 4.29Å
545	K	96.9	Very high	97.1	Very high	119 Å²	119	26.9 Å²	26.9	52%	0.517	14%	0.135	S	C	.	.	H	α-helix	trans	-81.4	-29	176.3	-177.1	-177.5	165.8	-161	0	111.8	N509 E513 N541 V542 F543	N509-K545 PolarHBondContact OD1-NZ 2.85Å; E513-K545 IonicContact OE1-NZ 3.07Å; E513-K545 PolarHBondContact OE1-NZ 2.85Å; N541-K545 WeakPolarHBondContact O-CB 3.44Å; N541-K545 PolarHBondContact O-N 2.81Å; V542-K545 WeakPolarHBondContact O-CB 3Å; V542-K545 PolarHBondContact O-N 2.74Å; F543-K545 PolarHBondContact O-N 2.76Å
546	H	97.3	Very high	97.1	Very high	19 Å²	19	26.3 Å²	26.3	9%	0.088	13%	0.129	C	C	.	.			trans	-128.8	102.2	-168.1	-58.8	-66	0	0	0	112	N509 G512 V542 F543 C548 I549	N509-H546 PolarHBondContact O-NE2 2.92Å; N509-H546 PolarHBondContact OD1-NE2 3.04Å; G512-H546 VanDerWaalsContact CA-CG 3.41Å; G512-H546 PolarHBondContact O-ND1 2.77Å; V542-H546 PolarHBondContact O-CD2 3.12Å; V542-H546 PolarHBondContact O-N 3.39Å; F543-H546 PolarHBondContact O-N 3.17Å; H546-C548 PolarHBondContact O-N 2.8Å; H546-I549 HydrophobicContact CB-CD1 4.08Å; H546-I549 HydrophobicContact CB-CG1 4.2Å; H546-I549 PolarHBondContact O-N 3.31Å
547	D	96.3	Very high	97.2	Very high	96 Å²	96	26.3 Å²	26.3	51%	0.513	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.7	-176.2	-69.4	-22.5	0	0	0	113.5	L338 Y345 I549 Q550	L338-D547 HydrophobicContact CD2-CB 4.25Å; L338-D547 VanDerWaalsContact CD2-O 3.27Å; L338-D547 WeakPolarHBondContact CD2-O 3.33Å; Y345-D547 HydrophobicContact CE2-CB 4.01Å; Y345-D547 WeakPolarHBondContact CE2-O 3.27Å; Y345-D547 PolarHBondContact OH-O 2.85Å; D547-I549 PolarHBondContact O-N 3.06Å; D547-Q550 WeakPolarHBondContact O-CG 3Å
548	C	96.7	Very high	97.2	Very high	17 Å²	17	25.3 Å²	25.3	12%	0.115	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19	177.3	62.6	0	0	0	0	114	L338 P515 R520 H546	L338-C548 HydrophobicContact CD2-CB 4.44Å; P515-C548 HydrophobicContact CB-CB 3.85Å; R520-C548 WeakPolarHBondContact CB-O 3.45Å; R520-C548 PolarHBondContact N-O 2.77Å; H546-C548 PolarHBondContact O-N 2.8Å
549	I	97.4	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	88.3	176.5	-43.9	174.7	0	0	0	108	M508 R520 I522 V542 F543 H546 D547 G551	M508-I549 HydrophobicContact CG-CD1 4.11Å; M508-I549 HydrophobicContact SD-CD1 3.89Å; M508-I549 HydrophobicContact SD-CG2 4.31Å; R520-I549 HydrophobicContact CG-CG2 4.47Å; R520-I549 CarbonylContact O-C 3.58Å; R520-I549 WeakPolarHBondContact O-CA 3.37Å; I522-I549 HydrophobicContact CG1-CG2 4.36Å; V542-I549 HydrophobicContact CG1-CD1 4.19Å; F543-I549 HydrophobicContact CD1-CB 4.14Å; F543-I549 HydrophobicContact CD1-CD1 4.48Å; F543-I549 HydrophobicContact CD1-CG2 3.42Å; F543-I549 VanDerWaalsContact CD1-CG2 3.42Å; F543-I549 HydrophobicContact CE1-CG2 3.74Å; F543-I549 HydrophobicContact CG-CG2 4.4Å; H546-I549 HydrophobicContact CB-CD1 4.08Å; H546-I549 HydrophobicContact CB-CG1 4.2Å; H546-I549 PolarHBondContact O-N 3.31Å; D547-I549 PolarHBondContact O-N 3.06Å; I549-G551 VanDerWaalsContact C-N 3.32Å; I549-G551 PolarHBondContact O-N 2.62Å
550	Q	97.2	Very high	97.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	24.2	-167.8	-69.3	-168.6	-99.9	0	0	114	L338 F339 Y345 V346 M347 L348 R520 D547	L338-Q550 HydrophobicContact CD2-CG 4.43Å; F339-Q550 HydrophobicContact CD1-CB 3.81Å; F339-Q550 VanDerWaalsContact CD1-CD 3.45Å; F339-Q550 HydrophobicContact CD1-CG 4.24Å; F339-Q550 VanDerWaalsContact CD1-OE1 3.26Å; F339-Q550 HydrophobicContact CE1-CB 3.29Å; F339-Q550 HydrophobicContact CE1-CG 4.14Å; F339-Q550 HydrophobicContact CZ-CB 4.22Å; F339-Q550 PolarHBondContact O-NE2 3.08Å; Y345-Q550 HydrophobicContact CD2-CG 4.48Å; Y345-Q550 HydrophobicContact CE2-CG 3.59Å; V346-Q550 PolarHBondContact O-NE2 3.26Å; M347-Q550 CarbonylContact C-O 3.5Å; M347-Q550 VanDerWaalsContact CA-O 3.29Å; M347-Q550 WeakPolarHBondContact CA-O 3.25Å; L348-Q550 PolarHBondContact N-O 3.04Å; R520-Q550 PolarHBondContact O-N 3.17Å; D547-Q550 WeakPolarHBondContact O-CG 3Å
551	G	95.3	Very high	97.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.9	-177.8	168	0	0	0	0	0	114.6	L348 I521 I522 I549	L348-G551 CarbonylContact O-C 2.88Å; L348-G551 WeakPolarHBondContact O-CA 3.13Å; I521-G551 WeakPolarHBondContact CA-O 3.12Å; I522-G551 PolarHBondContact N-O 3.48Å; I549-G551 VanDerWaalsContact C-N 3.32Å; I549-G551 PolarHBondContact O-N 2.62Å
552	H	97.9	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	156.6	-165.6	49.9	84.4	0	0	0	111.2	L348 H349 G350 I522 Y525 Q540 F543 Y607	L348-H552 PolarHBondContact O-N 2.88Å; H349-H552 AromaticContact CD2-CE1 3.69Å; H349-H552 AromaticContact CD2-NE2 3.42Å; H349-H552 PolarHBondContact CD2-NE2 3.17Å; G350-H552 WeakPolarHBondContact CA-O 3.43Å; G350-H552 PolarHBondContact N-O 3.35Å; I522-H552 HydrophobicContact CB-CB 4.19Å; I522-H552 CarbonylContact O-C 3.6Å; I522-H552 WeakPolarHBondContact O-CA 3.48Å; Y525-H552 HydrophobicContact CD1-CB 3.56Å; Y525-H552 AromaticContact CD1-ND1 3.89Å; Y525-H552 HydrophobicContact CE1-CB 3.94Å; Y525-H552 AromaticContact CE1-CG 3.87Å; Y525-H552 AromaticContact CE1-ND1 3.29Å; Y525-H552 VanDerWaalsContact CE1-ND1 3.29Å; Y525-H552 WeakPolarHBondContact CE1-ND1 3.49Å; Y525-H552 HydrophobicContact CG-CB 4.03Å; Y525-H552 AromaticContact CZ-ND1 3.61Å; Q540-H552 PolarHBondContact OE1-CE1 3.46Å; Q540-H552 VanDerWaalsContact OE1-CE1 3.26Å; Q540-H552 PolarHBondContact OE1-NE2 2.99Å; F543-H552 AromaticContact CD2-CD2 3.03Å; F543-H552 WeakPolarHBondContact CD2-CD2 3.35Å; F543-H552 AromaticContact CD2-CG 3.86Å; F543-H552 AromaticContact CD2-NE2 3.38Å; F543-H552 WeakPolarHBondContact CD2-NE2 3.3Å; F543-H552 HydrophobicContact CE2-CB 3.82Å; F543-H552 AromaticContact CE2-CD2 3.12Å; F543-H552 WeakPolarHBondContact CE2-CD2 3.22Å; F543-H552 AromaticContact CE2-CG 3.43Å; F543-H552 VanDerWaalsContact CE2-CG 3.43Å; F543-H552 AromaticContact CE2-NE2 3.72Å; F543-H552 AromaticContact CG-CD2 3.9Å; F543-H552 HydrophobicContact CZ-CB 4.04Å; H552-Y607 PolarHBondContact ND1-OH 3.21Å
553	Y	98.6	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.7	175.2	-59.5	-102.2	0	0	0	110.6	L348 G350 S383 R385 M407 I521 I522 C523 E524 Y525	L348-Y553 HydrophobicContact CD1-CE2 4.41Å; L348-Y553 WeakPolarHBondContact CD1-OH 3.08Å; G350-Y553 WeakPolarHBondContact O-CA 3.22Å; S383-Y553 WeakPolarHBondContact OG-CE1 3.46Å; S383-Y553 PolarHBondContact OG-OH 2.96Å; R385-Y553 HydrophobicContact CB-CD1 3.67Å; R385-Y553 HydrophobicContact CB-CE1 3.81Å; R385-Y553 HydrophobicContact CB-CG 4.2Å; M407-Y553 HydrophobicContact CE-CE2 3.69Å; M407-Y553 HydrophobicContact SD-CE2 4.48Å; I521-Y553 HydrophobicContact CG2-CD2 4.32Å; I521-Y553 HydrophobicContact CG2-CE2 3.74Å; I522-Y553 PolarHBondContact O-N 2.91Å; C523-Y553 VanDerWaalsContact O-CB 3.3Å; C523-Y553 WeakPolarHBondContact O-CB 3.37Å; E524-Y553 WeakPolarHBondContact CA-O 3.4Å; Y525-Y553 VanDerWaalsContact CD1-O 3.27Å; Y525-Y553 WeakPolarHBondContact CD1-O 3.42Å; Y525-Y553 PolarHBondContact N-O 3.28Å
554	V	98.5	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	135.1	172.2	-179.8	0	0	0	0	109.1	G350 V351 N352 Y525 A528 P533 L593 Y607	G350-V554 PolarHBondContact O-N 3.09Å; V351-V554 HydrophobicContact CG1-CB 4.49Å; N352-V554 PolarHBondContact N-O 3.4Å; N352-V554 PolarHBondContact ND2-O 2.98Å; N352-V554 VanDerWaalsContact ND2-O 3.11Å; Y525-V554 HydrophobicContact CD1-CG2 4.42Å; Y525-V554 HydrophobicContact CE1-CB 4.33Å; Y525-V554 HydrophobicContact CE1-CG2 3.41Å; Y525-V554 VanDerWaalsContact CE1-CG2 3.41Å; A528-V554 HydrophobicContact CB-CG1 4.07Å; P533-V554 HydrophobicContact CG-CG1 4.32Å; V554-L593 HydrophobicContact CB-CD1 4.01Å; V554-L593 HydrophobicContact CG1-CD1 3.88Å; V554-L593 HydrophobicContact CG1-CD2 4.13Å; V554-L593 HydrophobicContact CG1-CG 3.96Å; V554-L593 HydrophobicContact CG2-CD1 4.37Å; V554-Y607 HydrophobicContact CG2-CD1 4.1Å; V554-Y607 HydrophobicContact CG2-CD2 4.27Å; V554-Y607 HydrophobicContact CG2-CE1 3.76Å; V554-Y607 HydrophobicContact CG2-CE2 3.96Å; V554-Y607 HydrophobicContact CG2-CG 4.34Å
555	W	97.7	Very high	97.4	Very high	6 Å²	6	23.4 Å²	23.4	2%	0.023	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113.2	165.9	-174.2	-89.6	0	0	0	109.3	D202 N352 H354 A387 H388 Y502 E524 A526 H527 A528 D591	D202-W555 HydrophobicContact CB-CZ2 4.29Å; N352-W555 HydrophobicContact CB-CE3 3.5Å; N352-W555 VanDerWaalsContact CB-CE3 3.5Å; N352-W555 HydrophobicContact CB-CZ3 3.76Å; H354-W555 AromaticContact CD2-CH2 3.68Å; H354-W555 AromaticContact NE2-CH2 3.56Å; A387-W555 HydrophobicContact CB-CH2 4.16Å; A387-W555 HydrophobicContact CB-CZ3 3.6Å; H388-W555 AromaticContact CD2-CH2 3.95Å; H388-W555 AromaticContact CE1-CH2 3.91Å; H388-W555 AromaticContact CE1-CZ3 3.53Å; H388-W555 AromaticContact NE2-CH2 3.13Å; H388-W555 WeakPolarHBondContact NE2-CH2 3.38Å; H388-W555 AromaticContact NE2-CZ3 3.25Å; H388-W555 WeakPolarHBondContact NE2-CZ3 3.35Å; Y502-W555 WeakPolarHBondContact OH-CB 3.45Å; E524-W555 HydrophobicContact CB-CB 4.42Å; E524-W555 HydrophobicContact CG-CB 4.27Å; E524-W555 HydrophobicContact CG-CE3 4.2Å; A526-W555 PolarHBondContact O-N 3.15Å; H527-W555 CarbonylContact C-O 3.56Å; H527-W555 VanDerWaalsContact CA-O 3.26Å; H527-W555 WeakPolarHBondContact CA-O 3.49Å; H527-W555 AromaticContact CD2-CD1 3.27Å; H527-W555 AromaticContact NE2-CD1 3.46Å; H527-W555 AromaticContact NE2-NE1 3.89Å; A528-W555 WeakPolarHBondContact CB-O 3.41Å; A528-W555 PolarHBondContact N-O 3.45Å; W555-D591 PolarHBondContact NE1-OD2 2.91Å
556	E	96.9	Very high	97.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.099	C	C	.	.			cis	-138	-172.5	-10.8	73.8	158.8	139.6	0	0	113.6	N352 H354 H560 D591 G592 L593	N352-E556 HydrophobicContact CB-CB 4.12Å; H354-E556 IonicContact CD2-OE1 3.85Å; H354-E556 IonicContact CD2-OE2 3.89Å; H354-E556 PolarHBondContact CD2-OE2 2.94Å; H354-E556 PolarHBondContact N-OE2 2.97Å; E556-H560 IonicContact OE1-CE1 2.68Å; E556-H560 PolarHBondContact OE1-CE1 2.96Å; E556-H560 IonicContact OE1-ND1 3.64Å; E556-H560 IonicContact OE1-NE2 3.88Å; E556-H560 PolarHBondContact OE1-NE2 3Å; E556-H560 IonicContact OE2-CE1 3.56Å; E556-H560 IonicContact OE2-NE2 3.15Å; E556-D591 PolarHBondContact N-O 2.8Å; E556-G592 CarbonylContact O-C 3.58Å; E556-G592 WeakPolarHBondContact O-CA 3.43Å; E556-L593 PolarHBondContact O-N 2.73Å
557	W	98.5	Very high	97.2	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	14%	0.138	C	C	.	.	S	Bend	trans	-69.8	-45.5	-171.9	175.4	-115	0	0	0	112.6	V351 N352 R353 D372 L375 M376 I381 L593 I594 L604	V351-W557 HydrophobicContact CB-CB 4.49Å; V351-W557 HydrophobicContact CB-CE3 4.3Å; V351-W557 HydrophobicContact CG1-CE3 4.19Å; V351-W557 HydrophobicContact CG2-CB 4.37Å; V351-W557 HydrophobicContact CG2-CD2 4.38Å; V351-W557 HydrophobicContact CG2-CE3 3.91Å; N352-W557 WeakPolarHBondContact O-CB 3.38Å; N352-W557 PolarHBondContact O-N 3.29Å; R353-W557 HydrophobicContact CB-CB 4.32Å; D372-W557 HydrophobicContact CB-CZ2 4.26Å; D372-W557 WeakPolarHBondContact O-CZ2 3.22Å; D372-W557 PolarHBondContact OD1-NE1 3.04Å; L375-W557 HydrophobicContact CB-CH2 3.64Å; L375-W557 HydrophobicContact CB-CZ2 3.67Å; L375-W557 HydrophobicContact CD1-CZ2 4.3Å; M376-W557 HydrophobicContact CB-CH2 4.32Å; M376-W557 HydrophobicContact CE-CB 4.42Å; M376-W557 HydrophobicContact CE-CD2 3.5Å; M376-W557 HydrophobicContact CE-CE3 4.01Å; M376-W557 HydrophobicContact CE-CG 3.68Å; M376-W557 HydrophobicContact CE-CZ2 4.23Å; M376-W557 HydrophobicContact CG-CD2 4.24Å; M376-W557 HydrophobicContact CG-CE3 3.98Å; M376-W557 HydrophobicContact CG-CH2 3.52Å; M376-W557 HydrophobicContact CG-CZ2 3.79Å; M376-W557 HydrophobicContact CG-CZ3 3.62Å; I381-W557 HydrophobicContact CD1-CE3 4.43Å; I381-W557 HydrophobicContact CD1-CZ3 3.78Å; W557-L593 PolarHBondContact O-N 2.71Å; W557-I594 HydrophobicContact CD2-CD1 4.23Å; W557-I594 HydrophobicContact CH2-CG2 4.23Å; W557-I594 HydrophobicContact CZ2-CD1 3.73Å; W557-I594 HydrophobicContact CZ2-CG2 4.33Å; W557-I594 HydrophobicContact CZ3-CG2 4.46Å; W557-I594 WeakPolarHBondContact O-CG1 3.29Å; W557-I594 PolarHBondContact O-N 3.14Å; W557-L604 HydrophobicContact CH2-CD2 4.09Å; W557-L604 HydrophobicContact CZ3-CD1 4.03Å; W557-L604 HydrophobicContact CZ3-CD2 4.09Å
558	C	98.2	Very high	97.1	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.034	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-143.8	132.6	-166.3	-179	0	0	0	0	112.8	H560 I594	C558-H560 PolarHBondContact O-CD2 3.21Å; C558-I594 WeakPolarHBondContact CA-O 3.33Å; C558-I594 HydrophobicContact CB-CD1 4.13Å; C558-I594 HydrophobicContact CB-CG1 3.84Å
559	D	97.9	Very high	96.9	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.032	17%	0.165	C	C	.	.			trans	-56.9	143	171.1	-71.1	-13.6	0	0	0	110.9	N356 L590 D591 G592 I594 Y595 S596	N356-D559 PolarHBondContact ND2-O 2.72Å; D559-L590 HydrophobicContact CB-CD2 4.03Å; D559-L590 WeakPolarHBondContact OD1-CA 3.38Å; D559-D591 PolarHBondContact OD1-N 2.99Å; D559-D591 VanDerWaalsContact OD1-N 3.15Å; D559-G592 WeakPolarHBondContact OD1-CA 3.29Å; D559-G592 PolarHBondContact OD1-N 3.03Å; D559-I594 PolarHBondContact N-O 2.97Å; D559-Y595 WeakPolarHBondContact OD2-CD1 3.43Å; D559-S596 VanDerWaalsContact CB-OG 3.22Å; D559-S596 WeakPolarHBondContact CB-OG 3.49Å; D559-S596 WeakPolarHBondContact O-CA 3.37Å; D559-S596 WeakPolarHBondContact O-CB 3.34Å; D559-S596 PolarHBondContact O-OG 2.81Å; D559-S596 VanDerWaalsContact O-OG 3.11Å
560	H	97.2	Very high	96.8	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.019	19%	0.189	C	C	.	.			trans	-97.3	15.8	178	-66.7	166.4	0	0	0	114.3	W204 H354 N356 E556 C558 C589	W204-H560 PolarHBondContact NE1-O 3.12Å; H354-H560 WeakPolarHBondContact CB-CE1 3.28Å; H354-H560 VanDerWaalsContact CB-NE2 3.28Å; H354-H560 WeakPolarHBondContact CB-NE2 3.35Å; H354-H560 AromaticContact CD2-CE1 3.72Å; H354-H560 AromaticContact CG-CE1 3.62Å; N356-H560 WeakPolarHBondContact CB-CD2 3.23Å; N356-H560 VanDerWaalsContact CG-CD2 3.4Å; E556-H560 IonicContact OE1-CE1 2.68Å; E556-H560 PolarHBondContact OE1-CE1 2.96Å; E556-H560 IonicContact OE1-ND1 3.64Å; E556-H560 IonicContact OE1-NE2 3.88Å; E556-H560 PolarHBondContact OE1-NE2 3Å; E556-H560 IonicContact OE2-CE1 3.56Å; E556-H560 IonicContact OE2-NE2 3.15Å; C558-H560 PolarHBondContact O-CD2 3.21Å; H560-C589 WeakPolarHBondContact CA-O 3.42Å; H560-C589 HydrophobicContact CB-CB 3.83Å; H560-C589 WeakPolarHBondContact CB-O 3Å; H560-C589 PolarHBondContact N-O 2.8Å
561	G	97.8	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-57	136.2	172.8	0	0	0	0	0	113.7	H358 K574 S596	H358-G561 WeakPolarHBondContact CB-O 3.39Å; G561-K574 WeakPolarHBondContact CA-O 3.46Å; G561-S596 WeakPolarHBondContact CA-OG 3.31Å; G561-S596 PolarHBondContact N-OG 3.27Å; G561-S596 VanDerWaalsContact N-OG 3.09Å; G561-S596 VanDerWaalsContact O-CB 3.28Å; G561-S596 WeakPolarHBondContact O-CB 3.39Å; G561-S596 PolarHBondContact O-OG 2.92Å
562	I	98	Very high	96.8	Very high	5 Å²	5	40 Å²	40	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.9	179.3	-55.4	-55	0	0	0	110.2	M94 L100 W204 A564 Y573 K574 Y579	M94-I562 HydrophobicContact CE-CD1 4.11Å; M94-I562 HydrophobicContact CE-CG2 3.55Å; M94-I562 HydrophobicContact SD-CD1 4.25Å; M94-I562 HydrophobicContact SD-CG2 4.21Å; L100-I562 HydrophobicContact CD2-CG1 4.24Å; W204-I562 HydrophobicContact CZ2-CG1 3.75Å; I562-A564 PolarHBondContact O-N 2.98Å; I562-Y573 CarbonylContact O-C 3.54Å; I562-Y573 WeakPolarHBondContact O-CA 3.39Å; I562-K574 PolarHBondContact N-O 3.25Å; I562-K574 PolarHBondContact O-N 2.89Å; I562-Y579 VanDerWaalsContact CG2-OH 3.27Å; I562-Y579 WeakPolarHBondContact CG2-OH 3.35Å
563	Q	97.7	Very high	96.8	Very high	64 Å²	64	41.3 Å²	41.3	30%	0.299	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	129.1	-175	-167.5	-165.6	-85.3	0	0	111.5	H358 V571 Y573	H358-Q563 HydrophobicContact CB-CB 4.23Å; H358-Q563 PolarHBondContact CD2-OE1 2.86Å; H358-Q563 VanDerWaalsContact CD2-OE1 3.26Å; H358-Q563 PolarHBondContact NE2-OE1 2.64Å; H358-Q563 WeakPolarHBondContact O-CB 3.09Å; H358-Q563 PolarHBondContact O-N 3.42Å; Q563-V571 HydrophobicContact CG-CG1 3.54Å; Q563-Y573 HydrophobicContact CB-CD1 4.11Å; Q563-Y573 HydrophobicContact CB-CE1 3.83Å; Q563-Y573 HydrophobicContact CG-CE1 4.06Å
564	A	96.5	Very high	96.8	Very high	17 Å²	17	43.7 Å²	43.7	14%	0.14	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	169.4	173	0	0	0	0	0	110.7	I562 V571 W572 K574	I562-A564 PolarHBondContact O-N 2.98Å; A564-V571 WeakPolarHBondContact O-CA 3.1Å; A564-W572 HydrophobicContact CB-CD2 4.17Å; A564-W572 HydrophobicContact CB-CG 4.4Å; A564-W572 HydrophobicContact CB-CZ2 4.06Å; A564-W572 PolarHBondContact N-O 2.97Å; A564-W572 PolarHBondContact O-N 2.85Å; A564-K574 HydrophobicContact CB-CD 4.08Å; A564-K574 HydrophobicContact CB-CG 3.96Å
565	Q	96.7	Very high	96.7	Very high	132 Å²	132	43.8 Å²	43.8	62%	0.617	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.1	169.3	-71.2	-178.2	-12.2	0	0	109	N570 V571	Q565-N570 VanDerWaalsContact CA-O 3.29Å; Q565-N570 WeakPolarHBondContact CA-O 3.49Å; Q565-V571 HydrophobicContact CG-CG2 4.38Å
566	D	94.9	Very high	96.7	Very high	31 Å²	31	43.6 Å²	43.6	17%	0.166	23%	0.23	C	C	.	.			trans	-81.2	178.7	170.9	71.4	10.3	0	0	0	111.6	H568 G569 N570	D566-H568 PolarHBondContact O-N 2.8Å; D566-H568 VanDerWaalsContact O-N 3.08Å; D566-H568 VanDerWaalsContact OD1-C 3.31Å; D566-H568 VanDerWaalsContact OD1-CA 3.29Å; D566-H568 WeakPolarHBondContact OD1-CA 3.47Å; D566-H568 WeakPolarHBondContact OD1-CB 3.25Å; D566-H568 PolarHBondContact OD1-N 3.06Å; D566-G569 PolarHBondContact O-N 3.25Å; D566-G569 PolarHBondContact OD1-N 3.47Å; D566-N570 PolarHBondContact N-O 2.76Å; D566-N570 PolarHBondContact OD1-N 3.48Å; D566-N570 PolarHBondContact OD1-ND2 2.92Å; D566-N570 WeakPolarHBondContact OD2-CB 3.5Å; D566-N570 PolarHBondContact OD2-ND2 2.79Å
567	D	95.2	Very high	96.7	Very high	170 Å²	170	44.8 Å²	44.8	91%	0.909	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.8	178.9	-69.6	-20.2	0	0	0	113.7
568	H	93.5	Very high	96.7	Very high	164 Å²	164	46.8 Å²	46.8	76%	0.759	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-3.7	177.5	-59.9	-55.1	0	0	0	112.9	D566	D566-H568 PolarHBondContact O-N 2.8Å; D566-H568 VanDerWaalsContact O-N 3.08Å; D566-H568 VanDerWaalsContact OD1-C 3.31Å; D566-H568 VanDerWaalsContact OD1-CA 3.29Å; D566-H568 WeakPolarHBondContact OD1-CA 3.47Å; D566-H568 WeakPolarHBondContact OD1-CB 3.25Å; D566-H568 PolarHBondContact OD1-N 3.06Å
569	G	94.5	Very high	96.6	Very high	43 Å²	43	50.6 Å²	50.6	44%	0.443	27%	0.268	S	S	.	.			trans	81.6	10.5	-177.2	0	0	0	0	0	114.3	D566	D566-G569 PolarHBondContact O-N 3.25Å; D566-G569 PolarHBondContact OD1-N 3.47Å
570	N	94.3	Very high	96.5	Very high	92 Å²	92	53.7 Å²	53.7	49%	0.492	30%	0.301	S	S	.	.			trans	-73.2	137.8	173.5	-52.8	-57.4	0	0	0	109.6	Q565 D566	Q565-N570 VanDerWaalsContact CA-O 3.29Å; Q565-N570 WeakPolarHBondContact CA-O 3.49Å; D566-N570 PolarHBondContact N-O 2.76Å; D566-N570 PolarHBondContact OD1-N 3.48Å; D566-N570 PolarHBondContact OD1-ND2 2.92Å; D566-N570 WeakPolarHBondContact OD2-CB 3.5Å; D566-N570 PolarHBondContact OD2-ND2 2.79Å
571	V	96.2	Very high	96.4	Very high	70 Å²	70	54.1 Å²	54.1	42%	0.424	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	132.2	175.1	177.3	0	0	0	0	109.4	Q563 A564 Q565 Y573	Q563-V571 HydrophobicContact CG-CG1 3.54Å; A564-V571 WeakPolarHBondContact O-CA 3.1Å; Q565-V571 HydrophobicContact CG-CG2 4.38Å; V571-Y573 HydrophobicContact CG1-CE2 4.41Å
572	W	96.7	Very high	96.3	Very high	30 Å²	30	63.8 Å²	63.8	11%	0.114	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	171.8	171.8	66.4	-71.4	0	0	0	109.3	A564 K574 H962 N964	A564-W572 HydrophobicContact CB-CD2 4.17Å; A564-W572 HydrophobicContact CB-CG 4.4Å; A564-W572 HydrophobicContact CB-CZ2 4.06Å; A564-W572 PolarHBondContact N-O 2.97Å; A564-W572 PolarHBondContact O-N 2.85Å; W572-K574 HydrophobicContact CE3-CG 4.2Å; W572-K574 HydrophobicContact CH2-CD 4.2Å; W572-K574 HydrophobicContact CH2-CG 3.54Å; W572-K574 HydrophobicContact CZ2-CD 4.47Å; W572-K574 HydrophobicContact CZ2-CG 4.03Å; W572-K574 HydrophobicContact CZ3-CG 3.61Å; W572-H962 HydrophobicContact CE3-CB 4.17Å; W572-H962 AromaticContact CE3-CD2 3.65Å; W572-H962 AromaticContact CE3-CG 3.97Å; W572-H962 HydrophobicContact CZ3-CB 4.39Å; W572-H962 AromaticContact CZ3-CD2 3.39Å; W572-H962 WeakPolarHBondContact CZ3-CD2 3.18Å; W572-H962 AromaticContact CZ3-CG 3.75Å; W572-H962 AromaticContact CZ3-NE2 3.66Å; W572-N964 HydrophobicContact CB-CB 4.22Å; W572-N964 HydrophobicContact CG-CB 4.41Å
573	Y	97.8	Very high	96.1	Very high	26 Å²	26	66.3 Å²	66.3	10%	0.102	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.3	-178.4	-61.3	-89.6	0	0	0	110.4	H358 I562 Q563 V571 D597 P913	H358-Y573 HydrophobicContact CB-CD1 4.32Å; H358-Y573 HydrophobicContact CB-CE1 3.9Å; I562-Y573 CarbonylContact O-C 3.54Å; I562-Y573 WeakPolarHBondContact O-CA 3.39Å; Q563-Y573 HydrophobicContact CB-CD1 4.11Å; Q563-Y573 HydrophobicContact CB-CE1 3.83Å; Q563-Y573 HydrophobicContact CG-CE1 4.06Å; V571-Y573 HydrophobicContact CG1-CE2 4.41Å; Y573-D597 WeakPolarHBondContact OH-CB 3.06Å; Y573-P913 HydrophobicContact CD2-CB 4.33Å; Y573-P913 HydrophobicContact CD2-CG 4.18Å
574	K	97.7	Very high	96	Very high	51 Å²	51	64.6 Å²	64.6	22%	0.222	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	148.2	174.3	-69.9	-176.6	169.6	-157.3	0	111.2	G561 I562 A564 W572 D578 Y579	G561-K574 WeakPolarHBondContact CA-O 3.46Å; I562-K574 PolarHBondContact N-O 3.25Å; I562-K574 PolarHBondContact O-N 2.89Å; A564-K574 HydrophobicContact CB-CD 4.08Å; A564-K574 HydrophobicContact CB-CG 3.96Å; W572-K574 HydrophobicContact CE3-CG 4.2Å; W572-K574 HydrophobicContact CH2-CD 4.2Å; W572-K574 HydrophobicContact CH2-CG 3.54Å; W572-K574 HydrophobicContact CZ2-CD 4.47Å; W572-K574 HydrophobicContact CZ2-CG 4.03Å; W572-K574 HydrophobicContact CZ3-CG 3.61Å; K574-D578 WeakPolarHBondContact CA-OD2 3.5Å; K574-D578 HydrophobicContact CB-CB 3.88Å; K574-D578 WeakPolarHBondContact CB-OD2 3.39Å; K574-D578 HydrophobicContact CD-CB 4.02Å; K574-D578 HydrophobicContact CG-CB 3.92Å; K574-Y579 HydrophobicContact CB-CE2 3.85Å; K574-Y579 HydrophobicContact CD-CE1 4.3Å; K574-Y579 HydrophobicContact CD-CE2 3.93Å
575	F	97.5	Very high	96	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.009	36%	0.358	C	S	.	.			trans	-136.3	-169.9	173.6	50.2	-103.4	0	0	0	110.4	W204 G577 D578 Y586 N587 L590 F914 Q961 H962	W204-F575 WeakPolarHBondContact CH2-O 3.38Å; F575-G577 PolarHBondContact O-N 3.11Å; F575-D578 PolarHBondContact N-OD2 3.48Å; F575-D578 WeakPolarHBondContact O-CB 3.35Å; F575-D578 PolarHBondContact O-N 2.7Å; F575-Y586 VanDerWaalsContact CD2-C 3.44Å; F575-N587 HydrophobicContact CD1-CB 4.1Å; F575-N587 HydrophobicContact CD2-CB 3.86Å; F575-N587 HydrophobicContact CE1-CB 4.15Å; F575-N587 HydrophobicContact CE2-CB 3.95Å; F575-N587 HydrophobicContact CG-CB 3.94Å; F575-N587 HydrophobicContact CZ-CB 4.09Å; F575-L590 HydrophobicContact CD1-CD1 3.66Å; F575-L590 HydrophobicContact CD1-CG 4.35Å; F575-L590 HydrophobicContact CE1-CD1 4.12Å; F575-L590 HydrophobicContact CG-CD1 4.44Å; F575-F914 HydrophobicContact CE1-CD2 4Å; F575-F914 HydrophobicContact CE2-CD2 4.46Å; F575-F914 AromaticContact CZ-CD2 3.66Å; F575-F914 HydrophobicContact CZ-CD2 3.66Å; F575-F914 HydrophobicContact CZ-CE2 4.16Å; F575-Q961 HydrophobicContact CZ-CB 4.5Å; F575-Q961 WeakPolarHBondContact CZ-O 3.28Å; F575-H962 AromaticContact CE1-CD2 3.36Å; F575-H962 WeakPolarHBondContact CE1-CD2 3.36Å; F575-H962 AromaticContact CE1-NE2 3.31Å; F575-H962 VanDerWaalsContact CE1-NE2 3.31Å; F575-H962 WeakPolarHBondContact CE1-NE2 3.43Å; F575-H962 AromaticContact CE2-NE2 3.78Å; F575-H962 AromaticContact CZ-CD2 3.6Å; F575-H962 AromaticContact CZ-CE1 3.81Å; F575-H962 AromaticContact CZ-NE2 3.14Å; F575-H962 WeakPolarHBondContact CZ-NE2 3.44Å
576	G	97.6	Very high	96	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.01	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	136.3	-177.4	0	0	0	0	0	112.7	Y586	G576-Y586 WeakPolarHBondContact CA-O 3.41Å; G576-Y586 PolarHBondContact N-O 3.35Å; G576-Y586 WeakPolarHBondContact O-CA 3.39Å
577	G	97.3	Very high	96	Very high	26 Å²	26	64.5 Å²	64.5	27%	0.268	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-26.9	-175.9	0	0	0	0	0	115	F575 Y579 G580 D581 N584	F575-G577 PolarHBondContact O-N 3.11Å; G577-Y579 PolarHBondContact O-N 2.9Å; G577-G580 PolarHBondContact O-N 3.27Å; G577-D581 WeakPolarHBondContact CA-OD1 3.38Å; G577-D581 VanDerWaalsContact N-CG 3.32Å; G577-D581 PolarHBondContact N-OD1 2.88Å; G577-D581 PolarHBondContact N-OD2 2.81Å; G577-D581 VanDerWaalsContact N-OD2 3.16Å; G577-N584 WeakPolarHBondContact CA-ND2 3.37Å
578	D	97.3	Very high	96.1	Very high	44 Å²	44	59 Å²	59	24%	0.235	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-12.8	-179.3	-74.1	-40.4	0	0	0	114.4	K574 F575 H962	K574-D578 WeakPolarHBondContact CA-OD2 3.5Å; K574-D578 HydrophobicContact CB-CB 3.88Å; K574-D578 WeakPolarHBondContact CB-OD2 3.39Å; K574-D578 HydrophobicContact CD-CB 4.02Å; K574-D578 HydrophobicContact CG-CB 3.92Å; F575-D578 PolarHBondContact N-OD2 3.48Å; F575-D578 WeakPolarHBondContact O-CB 3.35Å; F575-D578 PolarHBondContact O-N 2.7Å; D578-H962 IonicContact OD1-CE1 2.64Å; D578-H962 PolarHBondContact OD1-CE1 2.85Å; D578-H962 IonicContact OD1-NE2 3.38Å; D578-H962 PolarHBondContact OD1-NE2 2.81Å; D578-H962 IonicContact OD2-CD2 3.44Å; D578-H962 IonicContact OD2-CE1 3.34Å; D578-H962 IonicContact OD2-NE2 3.34Å; D578-H962 PolarHBondContact OD2-NE2 2.92Å
579	Y	95.8	Very high	96.2	Very high	85 Å²	85	51.2 Å²	51.2	33%	0.333	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	7.9	176.5	-66.5	-86.6	0	0	0	112.1	L100 W204 I562 K574 G577 D581	L100-Y579 HydrophobicContact CB-CD1 4.29Å; L100-Y579 HydrophobicContact CB-CD2 4.44Å; L100-Y579 HydrophobicContact CB-CG 4.19Å; L100-Y579 HydrophobicContact CD2-CD2 4.13Å; L100-Y579 HydrophobicContact CD2-CE1 4.34Å; L100-Y579 HydrophobicContact CD2-CE2 3.76Å; W204-Y579 AromaticContact CH2-CD2 3.78Å; W204-Y579 HydrophobicContact CH2-CD2 3.78Å; W204-Y579 AromaticContact CH2-CE2 3.66Å; W204-Y579 HydrophobicContact CH2-CE2 3.66Å; W204-Y579 HydrophobicContact CZ2-CE2 4.49Å; W204-Y579 AromaticContact CZ3-CD2 3.83Å; W204-Y579 HydrophobicContact CZ3-CD2 3.83Å; W204-Y579 HydrophobicContact CZ3-CE2 4.04Å; I562-Y579 VanDerWaalsContact CG2-OH 3.27Å; I562-Y579 WeakPolarHBondContact CG2-OH 3.35Å; K574-Y579 HydrophobicContact CB-CE2 3.85Å; K574-Y579 HydrophobicContact CD-CE1 4.3Å; K574-Y579 HydrophobicContact CD-CE2 3.93Å; G577-Y579 PolarHBondContact O-N 2.9Å; Y579-D581 PolarHBondContact N-OD1 3.41Å; Y579-D581 PolarHBondContact O-N 2.82Å
580	G	95.9	Very high	96.4	Very high	71 Å²	71	49.3 Å²	49.3	73%	0.732	26%	0.256	S	S	*	.	S	Bend	trans	69.2	20.1	-173.7	0	0	0	0	0	112.6	G577	G577-G580 PolarHBondContact O-N 3.27Å
581	D	95.7	Very high	96.4	Very high	13 Å²	13	45 Å²	45	7%	0.07	23%	0.232	C	C	.	.			trans	-75.9	137.8	177.5	54.8	-57.6	0	0	0	111.5	Q101 Y102 G577 Y579 N584	Q101-D581 HydrophobicContact CB-CB 3.91Å; Q101-D581 HydrophobicContact CG-CB 3.9Å; Y102-D581 PolarHBondContact N-OD2 3.4Å; G577-D581 WeakPolarHBondContact CA-OD1 3.38Å; G577-D581 VanDerWaalsContact N-CG 3.32Å; G577-D581 PolarHBondContact N-OD1 2.88Å; G577-D581 PolarHBondContact N-OD2 2.81Å; G577-D581 VanDerWaalsContact N-OD2 3.16Å; Y579-D581 PolarHBondContact N-OD1 3.41Å; Y579-D581 PolarHBondContact O-N 2.82Å; D581-N584 PolarHBondContact O-ND2 2.97Å; D581-N584 WeakPolarHBondContact OD2-CB 3.5Å
582	Y	94.5	Very high	96.5	Very high	203 Å²	203	42 Å²	42	80%	0.796	22%	0.217	S	C	*	.	S	Bend	trans	-155.4	133.8	175.8	-177.5	-95.2	0	0	0	109.5
583	P	95	Very high	96.6	Very high	57 Å²	57	40.7 Å²	40.7	37%	0.37	21%	0.212	S	C	.	.	S	Bend	cis	-64.2	160.8	-3.5	30.7	-37.3	0	0	0	112.7	Q101 T103	Q101-P583 PolarHBondContact NE2-O 3.28Å; T103-P583 HydrophobicContact CG2-CG 4.48Å
584	N	96.3	Very high	96.6	Very high	29 Å²	29	39.5 Å²	39.5	16%	0.155	21%	0.207	C	C	.	.			trans	-152.2	161.3	173.8	70.1	70.5	0	0	0	112.1	Y102 G577 D581 Y586	Y102-N584 WeakPolarHBondContact O-CA 3.23Å; Y102-N584 WeakPolarHBondContact O-CB 3.45Å; G577-N584 WeakPolarHBondContact CA-ND2 3.37Å; D581-N584 PolarHBondContact O-ND2 2.97Å; D581-N584 WeakPolarHBondContact OD2-CB 3.5Å; N584-Y586 VanDerWaalsContact OD1-CD2 3.28Å; N584-Y586 WeakPolarHBondContact OD1-CD2 3.21Å; N584-Y586 PolarHBondContact OD1-N 3.39Å
585	N	95.7	Very high	96.6	Very high	53 Å²	53	38.2 Å²	38.2	28%	0.283	20%	0.201	S	C	.	.			trans	-104.5	22	176.9	-71	75.4	0	0	0	113.1	Y102 T103 D104 N587 F588	Y102-N585 HydrophobicContact CD1-CB 4.16Å; Y102-N585 HydrophobicContact CE1-CB 3.67Å; Y102-N585 PolarHBondContact O-N 2.72Å; T103-N585 WeakPolarHBondContact CA-OD1 3.38Å; D104-N585 HydrophobicContact CB-CB 4.14Å; D104-N585 VanDerWaalsContact N-CG 3.33Å; D104-N585 PolarHBondContact N-OD1 2.88Å; N585-N587 PolarHBondContact O-N 3.45Å; N585-F588 HydrophobicContact CB-CB 4.04Å; N585-F588 VanDerWaalsContact O-CB 3.31Å; N585-F588 WeakPolarHBondContact O-CB 3.34Å; N585-F588 PolarHBondContact O-N 2.61Å; N585-F588 VanDerWaalsContact O-N 3.17Å
586	Y	96	Very high	96.7	Very high	117 Å²	117	38.1 Å²	38.1	46%	0.459	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	50.6	-126.7	179.1	-75.1	-90.2	0	0	0	113	Y102 F575 G576 N584 F588	Y102-Y586 WeakPolarHBondContact CD1-O 3.46Å; F575-Y586 VanDerWaalsContact CD2-C 3.44Å; G576-Y586 WeakPolarHBondContact CA-O 3.41Å; G576-Y586 PolarHBondContact N-O 3.35Å; G576-Y586 WeakPolarHBondContact O-CA 3.39Å; N584-Y586 VanDerWaalsContact OD1-CD2 3.28Å; N584-Y586 WeakPolarHBondContact OD1-CD2 3.21Å; N584-Y586 PolarHBondContact OD1-N 3.39Å; Y586-F588 VanDerWaalsContact C-N 3.28Å; Y586-F588 PolarHBondContact O-N 3.4Å
587	N	96.2	Very high	96.6	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.043	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-87	14.7	-176	62.5	-63.8	0	0	0	113.6	F575 N585 C589 L590 D781 F914	F575-N587 HydrophobicContact CD1-CB 4.1Å; F575-N587 HydrophobicContact CD2-CB 3.86Å; F575-N587 HydrophobicContact CE1-CB 4.15Å; F575-N587 HydrophobicContact CE2-CB 3.95Å; F575-N587 HydrophobicContact CG-CB 3.94Å; F575-N587 HydrophobicContact CZ-CB 4.09Å; N585-N587 PolarHBondContact O-N 3.45Å; N587-C589 PolarHBondContact O-N 3.22Å; N587-L590 HydrophobicContact CB-CD1 4.04Å; N587-L590 HydrophobicContact CB-CG 4.33Å; N587-L590 WeakPolarHBondContact O-CB 3.5Å; N587-L590 PolarHBondContact O-N 3.25Å; N587-D781 PolarHBondContact ND2-OD1 2.86Å; N587-D781 VanDerWaalsContact ND2-OD1 3.08Å; N587-D781 PolarHBondContact ND2-OD2 3.05Å; N587-F914 HydrophobicContact CB-CB 4.25Å; N587-F914 HydrophobicContact CB-CD2 3.68Å; N587-F914 HydrophobicContact CB-CE2 4.27Å; N587-F914 HydrophobicContact CB-CG 4.08Å
588	F	96	Very high	96.7	Very high	55 Å²	55	41 Å²	41	24%	0.241	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-56.3	-32.8	178.8	-161.8	-98.6	0	0	0	112	Y102 D104 D202 H527 M529 N585 Y586 L590 D591	Y102-F588 HydrophobicContact CE1-CB 3.93Å; Y102-F588 WeakPolarHBondContact OH-CB 3.13Å; Y102-F588 WeakPolarHBondContact OH-CD1 3.49Å; D104-F588 HydrophobicContact CB-CD1 3.56Å; D104-F588 HydrophobicContact CB-CE1 3.86Å; D104-F588 HydrophobicContact CB-CG 4.37Å; D104-F588 VanDerWaalsContact CG-CE1 3.48Å; D202-F588 WeakPolarHBondContact OD2-CE1 3.33Å; H527-F588 AromaticContact NE2-CZ 3.91Å; M529-F588 HydrophobicContact CE-CB 4.37Å; M529-F588 HydrophobicContact CE-CD2 3.91Å; M529-F588 HydrophobicContact CE-CG 4.48Å; M529-F588 HydrophobicContact SD-CD2 4.1Å; M529-F588 HydrophobicContact SD-CE2 4.38Å; N585-F588 HydrophobicContact CB-CB 4.04Å; N585-F588 VanDerWaalsContact O-CB 3.31Å; N585-F588 WeakPolarHBondContact O-CB 3.34Å; N585-F588 PolarHBondContact O-N 2.61Å; N585-F588 VanDerWaalsContact O-N 3.17Å; Y586-F588 VanDerWaalsContact C-N 3.28Å; Y586-F588 PolarHBondContact O-N 3.4Å; F588-L590 PolarHBondContact O-N 2.85Å; F588-D591 VanDerWaalsContact O-CG 3.29Å
589	C	96.6	Very high	96.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-71.3	9.7	174.4	83.1	0	0	0	0	115.5	Y102 H560 N587 D591	Y102-C589 HydrophobicContact CD1-CB 4.23Å; Y102-C589 HydrophobicContact CD2-CB 4.11Å; Y102-C589 HydrophobicContact CE1-CB 3.71Å; Y102-C589 HydrophobicContact CE2-CB 3.61Å; Y102-C589 HydrophobicContact CG-CB 4.41Å; Y102-C589 VanDerWaalsContact CZ-CB 3.4Å; Y102-C589 PolarHBondContact OH-N 3.35Å; Y102-C589 VanDerWaalsContact OH-N 3.11Å; H560-C589 WeakPolarHBondContact CA-O 3.42Å; H560-C589 HydrophobicContact CB-CB 3.83Å; H560-C589 WeakPolarHBondContact CB-O 3Å; H560-C589 PolarHBondContact N-O 2.8Å; N587-C589 PolarHBondContact O-N 3.22Å; C589-D591 VanDerWaalsContact C-OD1 3.24Å
590	L	97.4	Very high	96.8	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	21%	0.212	C	C	.	.			trans	-107.5	58.5	175.9	-60.3	-173.8	0	0	0	110.1	M529 G530 D559 F575 N587 F588 P913 F914	M529-L590 WeakPolarHBondContact CA-O 3.2Å; G530-L590 PolarHBondContact N-O 3.22Å; D559-L590 HydrophobicContact CB-CD2 4.03Å; D559-L590 WeakPolarHBondContact OD1-CA 3.38Å; F575-L590 HydrophobicContact CD1-CD1 3.66Å; F575-L590 HydrophobicContact CD1-CG 4.35Å; F575-L590 HydrophobicContact CE1-CD1 4.12Å; F575-L590 HydrophobicContact CG-CD1 4.44Å; N587-L590 HydrophobicContact CB-CD1 4.04Å; N587-L590 HydrophobicContact CB-CG 4.33Å; N587-L590 WeakPolarHBondContact O-CB 3.5Å; N587-L590 PolarHBondContact O-N 3.25Å; F588-L590 PolarHBondContact O-N 2.85Å; L590-P913 HydrophobicContact CD1-CB 3.84Å; L590-F914 HydrophobicContact CD1-CB 3.9Å
591	D	96.1	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.			trans	-123.9	27.5	-167.4	58.5	-18.9	0	0	0	114.6	A528 M529 W555 E556 D559 F588 C589	A528-D591 WeakPolarHBondContact CB-O 3.25Å; M529-D591 HydrophobicContact CB-CB 4.07Å; W555-D591 PolarHBondContact NE1-OD2 2.91Å; E556-D591 PolarHBondContact N-O 2.8Å; D559-D591 PolarHBondContact OD1-N 2.99Å; D559-D591 VanDerWaalsContact OD1-N 3.15Å; F588-D591 VanDerWaalsContact O-CG 3.29Å; C589-D591 VanDerWaalsContact C-OD1 3.24Å
592	G	97.7	Very high	96.9	Very high	9 Å²	9	36.6 Å²	36.6	9%	0.093	18%	0.18	C	C	.	.			trans	-93	142.5	177.7	0	0	0	0	0	115.5	E556 D559 I594	E556-G592 CarbonylContact O-C 3.58Å; E556-G592 WeakPolarHBondContact O-CA 3.43Å; D559-G592 WeakPolarHBondContact OD1-CA 3.29Å; D559-G592 PolarHBondContact OD1-N 3.03Å; G592-I594 PolarHBondContact O-N 3Å
593	L	98.6	Very high	97	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	-60.3	-25.4	160.1	-74.2	175.6	0	0	0	112.7	V351 A528 P533 V554 E556 W557 G601 L604 Y607	V351-L593 HydrophobicContact CG1-CD1 3.68Å; A528-L593 HydrophobicContact CB-CD2 3.98Å; A528-L593 HydrophobicContact CB-CG 4.04Å; P533-L593 HydrophobicContact CG-CD2 4.33Å; V554-L593 HydrophobicContact CB-CD1 4.01Å; V554-L593 HydrophobicContact CG1-CD1 3.88Å; V554-L593 HydrophobicContact CG1-CD2 4.13Å; V554-L593 HydrophobicContact CG1-CG 3.96Å; V554-L593 HydrophobicContact CG2-CD1 4.37Å; E556-L593 PolarHBondContact O-N 2.73Å; W557-L593 PolarHBondContact O-N 2.71Å; L593-G601 WeakPolarHBondContact O-CA 3.4Å; L593-G601 PolarHBondContact O-N 3.13Å; L593-L604 HydrophobicContact CB-CB 4.09Å; L593-L604 HydrophobicContact CB-CD1 4.38Å; L593-L604 HydrophobicContact CD1-CD1 4.24Å; L593-L604 WeakPolarHBondContact O-CB 3.31Å; L593-Y607 HydrophobicContact CD1-CD1 3.98Å
594	I	98.4	Very high	97.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-121.3	148.8	170.3	78.4	-167.4	0	0	0	110.3	L375 W557 C558 D559 G592 Q598 T599 L604	L375-I594 HydrophobicContact CD1-CD1 4.45Å; W557-I594 HydrophobicContact CD2-CD1 4.23Å; W557-I594 HydrophobicContact CH2-CG2 4.23Å; W557-I594 HydrophobicContact CZ2-CD1 3.73Å; W557-I594 HydrophobicContact CZ2-CG2 4.33Å; W557-I594 HydrophobicContact CZ3-CG2 4.46Å; W557-I594 WeakPolarHBondContact O-CG1 3.29Å; W557-I594 PolarHBondContact O-N 3.14Å; C558-I594 WeakPolarHBondContact CA-O 3.33Å; C558-I594 HydrophobicContact CB-CD1 4.13Å; C558-I594 HydrophobicContact CB-CG1 3.84Å; D559-I594 PolarHBondContact N-O 2.97Å; G592-I594 PolarHBondContact O-N 3Å; I594-Q598 HydrophobicContact CD1-CB 3.91Å; I594-Q598 HydrophobicContact CD1-CG 3.86Å; I594-T599 WeakPolarHBondContact CA-O 3.36Å; I594-T599 WeakPolarHBondContact CB-O 3.49Å; I594-L604 HydrophobicContact CG2-CD2 3.47Å; I594-L604 VanDerWaalsContact CG2-CD2 3.47Å
595	Y	97.9	Very high	97.2	Very high	25 Å²	25	27.8 Å²	27.8	10%	0.098	14%	0.14	C	C	.	.			trans	-68	167.7	174.8	-56.8	-49	0	0	0	111.6	D559 D597 Q598 T599 P602 E910 Y912	D559-Y595 WeakPolarHBondContact OD2-CD1 3.43Å; Y595-D597 PolarHBondContact O-N 3.25Å; Y595-Q598 WeakPolarHBondContact O-CA 3.46Å; Y595-Q598 PolarHBondContact O-N 3.18Å; Y595-T599 HydrophobicContact CD2-CG2 3.95Å; Y595-T599 HydrophobicContact CE2-CG2 4.41Å; Y595-T599 PolarHBondContact N-O 3.03Å; Y595-P602 WeakPolarHBondContact OH-CD 3.44Å; Y595-E910 VanDerWaalsContact OH-CD 3.3Å; Y595-E910 VanDerWaalsContact OH-CG 3.31Å; Y595-E910 WeakPolarHBondContact OH-CG 3.31Å; Y595-E910 PolarHBondContact OH-OE1 2.81Å; Y595-E910 VanDerWaalsContact OH-OE1 3.12Å; Y595-Y912 AromaticContact CE1-CD1 3.94Å; Y595-Y912 HydrophobicContact CE1-CD1 3.94Å; Y595-Y912 HydrophobicContact CE1-CE1 4.12Å; Y595-Y912 WeakPolarHBondContact OH-CE1 3.33Å
596	S	97.9	Very high	97.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.5	-174.1	-45	0	0	0	0	113.2	H358 R368 D559 G561 Q598	H358-S596 PolarHBondContact ND1-O 2.64Å; R368-S596 PolarHBondContact NH1-O 2.84Å; R368-S596 PolarHBondContact NH2-O 2.87Å; D559-S596 VanDerWaalsContact CB-OG 3.22Å; D559-S596 WeakPolarHBondContact CB-OG 3.49Å; D559-S596 WeakPolarHBondContact O-CA 3.37Å; D559-S596 WeakPolarHBondContact O-CB 3.34Å; D559-S596 PolarHBondContact O-OG 2.81Å; D559-S596 VanDerWaalsContact O-OG 3.11Å; G561-S596 WeakPolarHBondContact CA-OG 3.31Å; G561-S596 PolarHBondContact N-OG 3.27Å; G561-S596 VanDerWaalsContact N-OG 3.09Å; G561-S596 VanDerWaalsContact O-CB 3.28Å; G561-S596 WeakPolarHBondContact O-CB 3.39Å; G561-S596 PolarHBondContact O-OG 2.92Å; S596-Q598 VanDerWaalsContact C-N 3.34Å
597	D	97.3	Very high	97.5	Very high	63 Å²	63	19.9 Å²	19.9	34%	0.337	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	7.8	173.4	71.6	-10.8	0	0	0	115.9	H358 Y573 Y595 T599	H358-D597 WeakPolarHBondContact ND1-CA 3.36Å; Y573-D597 WeakPolarHBondContact OH-CB 3.06Å; Y595-D597 PolarHBondContact O-N 3.25Å; D597-T599 VanDerWaalsContact C-N 3.26Å; D597-T599 WeakPolarHBondContact OD1-CB 3.47Å; D597-T599 PolarHBondContact OD1-N 3.1Å; D597-T599 PolarHBondContact OD1-OG1 2.83Å; D597-T599 PolarHBondContact OD2-OG1 3.14Å
598	Q	97.6	Very high	97.6	Very high	25 Å²	25	21.3 Å²	21.3	12%	0.117	11%	0.112	C	C	.	.			trans	67.5	16.1	-171.9	-59.6	169.3	-69.4	0	0	115.1	R368 D372 L375 I594 Y595 S596 P600	R368-Q598 PolarHBondContact O-NE2 3.13Å; D372-Q598 PolarHBondContact OD1-NE2 2.91Å; L375-Q598 HydrophobicContact CD1-CB 4.16Å; I594-Q598 HydrophobicContact CD1-CB 3.91Å; I594-Q598 HydrophobicContact CD1-CG 3.86Å; Y595-Q598 WeakPolarHBondContact O-CA 3.46Å; Y595-Q598 PolarHBondContact O-N 3.18Å; S596-Q598 VanDerWaalsContact C-N 3.34Å; Q598-P600 WeakPolarHBondContact O-CD 3.33Å
599	T	97.7	Very high	97.7	Very high	62 Å²	62	19.5 Å²	19.5	38%	0.38	10%	0.104	S	C	.	.	P	Polyproline II helix	trans	-68.8	123.9	170.7	-66.8	0	0	0	0	110.1	I594 Y595 D597 G601	I594-T599 WeakPolarHBondContact CA-O 3.36Å; I594-T599 WeakPolarHBondContact CB-O 3.49Å; Y595-T599 HydrophobicContact CD2-CG2 3.95Å; Y595-T599 HydrophobicContact CE2-CG2 4.41Å; Y595-T599 PolarHBondContact N-O 3.03Å; D597-T599 VanDerWaalsContact C-N 3.26Å; D597-T599 WeakPolarHBondContact OD1-CB 3.47Å; D597-T599 PolarHBondContact OD1-N 3.1Å; D597-T599 PolarHBondContact OD1-OG1 2.83Å; D597-T599 PolarHBondContact OD2-OG1 3.14Å; T599-G601 PolarHBondContact O-N 3.47Å
600	P	97.5	Very high	97.8	Very high	39 Å²	39	19.8 Å²	19.8	25%	0.253	11%	0.106	S	C	.	.	B	Isolated β-bridge	trans	-62	119.4	178.7	-28.4	38.7	0	0	0	113.9	L375 Q598 L604	L375-P600 HydrophobicContact CD2-CG 4.04Å; Q598-P600 WeakPolarHBondContact O-CD 3.33Å; P600-L604 HydrophobicContact CB-CD2 4.1Å
601	G	96.7	Very high	97.9	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.031	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-75.7	170.4	175.8	0	0	0	0	0	113.5	L593 T599 G603 L604 K605	L593-G601 WeakPolarHBondContact O-CA 3.4Å; L593-G601 PolarHBondContact O-N 3.13Å; T599-G601 PolarHBondContact O-N 3.47Å; G601-G603 VanDerWaalsContact C-N 3.31Å; G601-G603 PolarHBondContact O-N 2.84Å; G601-L604 PolarHBondContact O-N 2.75Å; G601-K605 PolarHBondContact O-N 3Å
602	P	97	Very high	98	Very high	16 Å²	16	19.7 Å²	19.7	10%	0.104	11%	0.105	C	C	.	.	H	α-helix	trans	-56.9	-40.3	172.8	-26.6	36.9	0	0	0	113.3	Y595 L604 K605 E606 E887 E910	Y595-P602 WeakPolarHBondContact OH-CD 3.44Å; P602-L604 VanDerWaalsContact C-N 3.34Å; P602-L604 PolarHBondContact O-N 2.88Å; P602-K605 WeakPolarHBondContact O-CB 3.36Å; P602-K605 PolarHBondContact O-N 2.99Å; P602-K605 VanDerWaalsContact O-N 3.1Å; P602-E606 PolarHBondContact O-N 3.12Å; P602-E887 HydrophobicContact CB-CG 3.89Å; P602-E887 HydrophobicContact CG-CG 3.75Å; P602-E887 WeakPolarHBondContact CG-OE1 3.32Å; P602-E910 HydrophobicContact CG-CG 4.16Å
603	G	97.4	Very high	98	Very high	5 Å²	5	20 Å²	20	5%	0.052	11%	0.106	C	C	.	.	H	α-helix	trans	-56.9	-41.5	177.3	0	0	0	0	0	113.6	G532 G601 K605 E606 Y607	G532-G603 VanDerWaalsContact O-CA 3.3Å; G532-G603 WeakPolarHBondContact O-CA 3.31Å; G601-G603 VanDerWaalsContact C-N 3.31Å; G601-G603 PolarHBondContact O-N 2.84Å; G603-K605 VanDerWaalsContact C-N 3.34Å; G603-K605 PolarHBondContact O-N 3.02Å; G603-E606 PolarHBondContact O-N 3.03Å; G603-Y607 WeakPolarHBondContact O-CB 3.18Å; G603-Y607 PolarHBondContact O-N 3.5Å
604	L	98.5	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-36	177.1	-175.6	55.1	0	0	0	112.6	H379 I381 W557 L593 I594 P600 G601 P602 Y607 K608	H379-L604 HydrophobicContact CB-CD1 3.76Å; H379-L604 HydrophobicContact CB-CD2 4.48Å; H379-L604 HydrophobicContact CB-CG 4.13Å; I381-L604 HydrophobicContact CD1-CD1 4.01Å; W557-L604 HydrophobicContact CH2-CD2 4.09Å; W557-L604 HydrophobicContact CZ3-CD1 4.03Å; W557-L604 HydrophobicContact CZ3-CD2 4.09Å; L593-L604 HydrophobicContact CB-CB 4.09Å; L593-L604 HydrophobicContact CB-CD1 4.38Å; L593-L604 HydrophobicContact CD1-CD1 4.24Å; L593-L604 WeakPolarHBondContact O-CB 3.31Å; I594-L604 HydrophobicContact CG2-CD2 3.47Å; I594-L604 VanDerWaalsContact CG2-CD2 3.47Å; P600-L604 HydrophobicContact CB-CD2 4.1Å; G601-L604 PolarHBondContact O-N 2.75Å; P602-L604 VanDerWaalsContact C-N 3.34Å; P602-L604 PolarHBondContact O-N 2.88Å; L604-Y607 PolarHBondContact O-N 2.84Å; L604-K608 VanDerWaalsContact O-CB 3.32Å; L604-K608 WeakPolarHBondContact O-CB 3.18Å; L604-K608 PolarHBondContact O-N 3.25Å
605	K	97.8	Very high	98	Very high	98 Å²	98	21 Å²	21	43%	0.426	11%	0.11	S	C	.	.	H	α-helix	trans	-67.1	-41.1	177.1	-64.2	167.6	-170	155.1	0	110.6	G601 P602 G603 Q609 A895	G601-K605 PolarHBondContact O-N 3Å; P602-K605 WeakPolarHBondContact O-CB 3.36Å; P602-K605 PolarHBondContact O-N 2.99Å; P602-K605 VanDerWaalsContact O-N 3.1Å; G603-K605 VanDerWaalsContact C-N 3.34Å; G603-K605 PolarHBondContact O-N 3.02Å; K605-Q609 PolarHBondContact O-N 2.99Å; K605-A895 HydrophobicContact CB-CB 4.43Å; K605-A895 WeakPolarHBondContact O-CB 3.28Å
606	E	98.2	Very high	98	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.019	11%	0.107	C	C	.	.	H	α-helix	trans	-63.5	-50.8	173.3	-175.6	68.3	175.1	0	0	110.9	L536 P602 G603 K608 Q609 V610 S892 Q893 Q894 A895	L536-E606 HydrophobicContact CD1-CG 4.3Å; P602-E606 PolarHBondContact O-N 3.12Å; G603-E606 PolarHBondContact O-N 3.03Å; E606-K608 VanDerWaalsContact C-N 3.33Å; E606-K608 PolarHBondContact O-N 3.32Å; E606-Q609 WeakPolarHBondContact O-CB 3.43Å; E606-Q609 PolarHBondContact O-N 2.82Å; E606-V610 HydrophobicContact CG-CG2 4.24Å; E606-V610 WeakPolarHBondContact O-CG2 3.48Å; E606-V610 PolarHBondContact O-N 3.38Å; E606-S892 WeakPolarHBondContact CG-OG 3.42Å; E606-S892 WeakPolarHBondContact OE1-CA 3.48Å; E606-Q893 VanDerWaalsContact CD-N 3.34Å; E606-Q893 PolarHBondContact OE1-N 2.95Å; E606-Q893 PolarHBondContact OE2-N 2.9Å; E606-Q894 VanDerWaalsContact CD-N 3.28Å; E606-Q894 WeakPolarHBondContact OE1-CB 3.3Å; E606-Q894 VanDerWaalsContact OE1-CG 3.29Å; E606-Q894 WeakPolarHBondContact OE1-CG 3.07Å; E606-Q894 PolarHBondContact OE1-N 2.79Å; E606-Q894 PolarHBondContact OE2-N 3.05Å; E606-A895 PolarHBondContact OE2-N 3.26Å
607	Y	98.7	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.4	-45.8	-179.3	-173.3	-141	0	0	0	111.9	G350 V351 I381 Y525 L536 H552 V554 L593 G603 L604 Q609 V610 I611	G350-Y607 PolarHBondContact N-OH 2.92Å; G350-Y607 PolarHBondContact O-OH 3.47Å; V351-Y607 HydrophobicContact CG1-CD1 4.49Å; V351-Y607 HydrophobicContact CG1-CE1 3.91Å; I381-Y607 HydrophobicContact CD1-CD1 4.3Å; I381-Y607 HydrophobicContact CD1-CE1 4.22Å; I381-Y607 HydrophobicContact CG1-CD1 4.25Å; I381-Y607 HydrophobicContact CG1-CE1 3.88Å; Y525-Y607 WeakPolarHBondContact OH-CE2 3.33Å; L536-Y607 HydrophobicContact CD1-CD2 3.95Å; L536-Y607 HydrophobicContact CD1-CG 4.25Å; H552-Y607 PolarHBondContact ND1-OH 3.21Å; V554-Y607 HydrophobicContact CG2-CD1 4.1Å; V554-Y607 HydrophobicContact CG2-CD2 4.27Å; V554-Y607 HydrophobicContact CG2-CE1 3.76Å; V554-Y607 HydrophobicContact CG2-CE2 3.96Å; V554-Y607 HydrophobicContact CG2-CG 4.34Å; L593-Y607 HydrophobicContact CD1-CD1 3.98Å; G603-Y607 WeakPolarHBondContact O-CB 3.18Å; G603-Y607 PolarHBondContact O-N 3.5Å; L604-Y607 PolarHBondContact O-N 2.84Å; Y607-Q609 PolarHBondContact O-N 2.83Å; Y607-V610 PolarHBondContact O-N 2.83Å; Y607-V610 VanDerWaalsContact O-N 3.09Å; Y607-I611 HydrophobicContact CD1-CD1 4.11Å; Y607-I611 HydrophobicContact CD2-CD1 4.32Å; Y607-I611 HydrophobicContact CD2-CG2 3.62Å; Y607-I611 HydrophobicContact CE1-CD1 3.87Å; Y607-I611 HydrophobicContact CE2-CB 4.43Å; Y607-I611 HydrophobicContact CE2-CD1 4.08Å; Y607-I611 HydrophobicContact CE2-CG2 3.18Å; Y607-I611 HydrophobicContact CG-CD1 4.34Å; Y607-I611 WeakPolarHBondContact O-CG1 3.12Å; Y607-I611 PolarHBondContact O-N 3.46Å
608	K	98.7	Very high	98	Very high	38 Å²	38	22.7 Å²	22.7	17%	0.165	12%	0.124	C	C	.	.	H	α-helix	trans	-49.4	-45.9	174.1	174.5	-177	180	180	0	112.3	Q378 H379 N380 L604 E606 A612 P703 I704	Q378-K608 WeakPolarHBondContact O-CE 3.41Å; H379-K608 HydrophobicContact CB-CB 4.01Å; H379-K608 HydrophobicContact CB-CD 4.39Å; H379-K608 HydrophobicContact CB-CG 4.27Å; H379-K608 WeakPolarHBondContact O-CA 3.08Å; N380-K608 WeakPolarHBondContact ND2-CG 3.24Å; N380-K608 PolarHBondContact ND2-O 3.26Å; L604-K608 VanDerWaalsContact O-CB 3.32Å; L604-K608 WeakPolarHBondContact O-CB 3.18Å; L604-K608 PolarHBondContact O-N 3.25Å; E606-K608 VanDerWaalsContact C-N 3.33Å; E606-K608 PolarHBondContact O-N 3.32Å; K608-A612 PolarHBondContact O-N 3.3Å; K608-P703 WeakPolarHBondContact CE-O 3.42Å; K608-P703 PolarHBondContact NZ-O 3.25Å; K608-I704 WeakPolarHBondContact CE-O 3.38Å
609	Q	98.6	Very high	97.9	Very high	17 Å²	17	28.1 Å²	28.1	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-72.1	-41.4	-178.3	-178.4	61.5	42.5	0	0	111.4	K605 E606 Y607 I611 A612 T706 Q894 A895	K605-Q609 PolarHBondContact O-N 2.99Å; E606-Q609 WeakPolarHBondContact O-CB 3.43Å; E606-Q609 PolarHBondContact O-N 2.82Å; Y607-Q609 PolarHBondContact O-N 2.83Å; Q609-I611 PolarHBondContact O-N 3.17Å; Q609-A612 WeakPolarHBondContact O-CB 3.25Å; Q609-A612 PolarHBondContact O-N 2.78Å; Q609-T706 VanDerWaalsContact CD-O 3.23Å; Q609-T706 PolarHBondContact NE2-O 3.31Å; Q609-T706 PolarHBondContact OE1-O 2.67Å; Q609-Q894 HydrophobicContact CB-CB 4.37Å; Q609-Q894 HydrophobicContact CG-CB 3.73Å; Q609-Q894 WeakPolarHBondContact CG-O 3.43Å; Q609-A895 HydrophobicContact CB-CB 4.13Å
610	V	98.4	Very high	97.9	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-40.2	179.3	171.4	0	0	0	0	112	L536 T537 Q540 E606 Y607 K615 Q894	L536-V610 HydrophobicContact CB-CB 4.38Å; L536-V610 HydrophobicContact CB-CG1 4.07Å; L536-V610 HydrophobicContact CB-CG2 4.03Å; T537-V610 WeakPolarHBondContact OG1-CG2 3.15Å; Q540-V610 HydrophobicContact CB-CG1 3.61Å; Q540-V610 HydrophobicContact CG-CG1 3.96Å; E606-V610 HydrophobicContact CG-CG2 4.24Å; E606-V610 WeakPolarHBondContact O-CG2 3.48Å; E606-V610 PolarHBondContact O-N 3.38Å; Y607-V610 PolarHBondContact O-N 2.83Å; Y607-V610 VanDerWaalsContact O-N 3.09Å; V610-K615 PolarHBondContact O-NZ 2.97Å; V610-Q894 HydrophobicContact CG2-CB 4.37Å; V610-Q894 HydrophobicContact CG2-CG 4.09Å
611	I	98.3	Very high	97.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	5.2	-179.7	70.7	-173.4	0	0	0	114	H349 N380 I381 Y607 Q609	H349-I611 HydrophobicContact CB-CB 4.14Å; H349-I611 HydrophobicContact CB-CD1 3.91Å; H349-I611 HydrophobicContact CB-CG1 4.49Å; H349-I611 HydrophobicContact CB-CG2 4.2Å; N380-I611 HydrophobicContact CB-CD1 4.21Å; N380-I611 HydrophobicContact CB-CG1 3.89Å; I381-I611 HydrophobicContact CG1-CD1 3.94Å; Y607-I611 HydrophobicContact CD1-CD1 4.11Å; Y607-I611 HydrophobicContact CD2-CD1 4.32Å; Y607-I611 HydrophobicContact CD2-CG2 3.62Å; Y607-I611 HydrophobicContact CE1-CD1 3.87Å; Y607-I611 HydrophobicContact CE2-CB 4.43Å; Y607-I611 HydrophobicContact CE2-CD1 4.08Å; Y607-I611 HydrophobicContact CE2-CG2 3.18Å; Y607-I611 HydrophobicContact CG-CD1 4.34Å; Y607-I611 WeakPolarHBondContact O-CG1 3.12Å; Y607-I611 PolarHBondContact O-N 3.46Å; Q609-I611 PolarHBondContact O-N 3.17Å
612	A	98.5	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.			trans	-52.3	130.3	-173.4	0	0	0	0	0	112.8	K608 Q609 V614 K615 A705	K608-A612 PolarHBondContact O-N 3.3Å; Q609-A612 WeakPolarHBondContact O-CB 3.25Å; Q609-A612 PolarHBondContact O-N 2.78Å; A612-V614 VanDerWaalsContact C-N 3.27Å; A612-V614 PolarHBondContact O-N 3.34Å; A612-K615 WeakPolarHBondContact O-CD 3.11Å; A612-K615 WeakPolarHBondContact O-CE 3.43Å; A612-K615 PolarHBondContact O-NZ 3.15Å; A612-A705 HydrophobicContact CB-CB 3.53Å
613	P	97.8	Very high	97.4	Very high	15 Å²	15	40.4 Å²	40.4	10%	0.097	20%	0.196	C	C	.	.	S	Bend	trans	-76.2	-12.4	-170	28.8	-36.8	0	0	0	114.1	K631 L632 I704	P613-K631 WeakPolarHBondContact O-CA 3.5Å; P613-K631 WeakPolarHBondContact O-CB 3.46Å; P613-K631 PolarHBondContact O-N 2.87Å; P613-L632 HydrophobicContact CB-CD2 3.43Å; P613-L632 VanDerWaalsContact CB-CD2 3.43Å; P613-L632 HydrophobicContact CB-CG 3.8Å; P613-L632 HydrophobicContact CG-CD2 4.08Å; P613-I704 HydrophobicContact CG-CG2 4.03Å
614	V	98.6	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	106.4	175.9	-177.8	0	0	0	0	108.1	A612 I616 V628 L637 Y640 L660 V689 Y707	A612-V614 VanDerWaalsContact C-N 3.27Å; A612-V614 PolarHBondContact O-N 3.34Å; V614-I616 HydrophobicContact CG1-CD1 4.44Å; V614-V628 HydrophobicContact CG1-CG2 3.89Å; V614-L637 HydrophobicContact CG1-CD1 4.01Å; V614-L637 HydrophobicContact CG2-CD1 4.23Å; V614-L637 HydrophobicContact CG2-CD2 3.66Å; V614-Y640 HydrophobicContact CG2-CD1 3.85Å; V614-Y640 HydrophobicContact CG2-CE1 4.09Å; V614-Y640 HydrophobicContact CG2-CG 4.1Å; V614-L660 HydrophobicContact CG1-CD1 4.1Å; V614-V689 HydrophobicContact CB-CG1 3.88Å; V614-V689 HydrophobicContact CB-CG2 4.35Å; V614-V689 HydrophobicContact CG1-CG1 3.96Å; V614-V689 HydrophobicContact CG1-CG2 4.17Å; V614-V689 HydrophobicContact CG2-CG1 4.07Å; V614-Y707 WeakPolarHBondContact O-CE2 3.38Å; V614-Y707 PolarHBondContact O-OH 3.25Å
615	K	98.1	Very high	97.3	Very high	24 Å²	24	42.9 Å²	42.9	10%	0.104	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.7	-178.8	-59.9	-63.8	-171.4	-175.9	0	110.5	V610 A612 V628 E629 K631 Y707	V610-K615 PolarHBondContact O-NZ 2.97Å; A612-K615 WeakPolarHBondContact O-CD 3.11Å; A612-K615 WeakPolarHBondContact O-CE 3.43Å; A612-K615 PolarHBondContact O-NZ 3.15Å; K615-V628 CarbonylContact O-C 3.55Å; K615-V628 WeakPolarHBondContact O-CA 3.13Å; K615-E629 HydrophobicContact CB-CB 4.11Å; K615-E629 PolarHBondContact N-O 2.88Å; K615-E629 PolarHBondContact O-N 3.21Å; K615-K631 HydrophobicContact CG-CG 3.92Å; K615-Y707 WeakPolarHBondContact CA-OH 3.41Å; K615-Y707 WeakPolarHBondContact CD-OH 3.45Å
616	I	98.4	Very high	97.4	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.2	174.7	-52.5	-64.2	0	0	0	108.6	V614 L626 K627 V628 L642 L671 I687 Y707 F709	V614-I616 HydrophobicContact CG1-CD1 4.44Å; I616-L626 HydrophobicContact CG2-CD2 3.96Å; I616-K627 WeakPolarHBondContact CA-O 3.22Å; I616-V628 HydrophobicContact CD1-CB 3.92Å; I616-V628 HydrophobicContact CD1-CG2 3.8Å; I616-L642 HydrophobicContact CD1-CD1 3.8Å; I616-L642 HydrophobicContact CD1-CD2 3.98Å; I616-L671 HydrophobicContact CD1-CD2 4.26Å; I616-L671 HydrophobicContact CG2-CD2 4.37Å; I616-I687 HydrophobicContact CG1-CG2 4.33Å; I616-I687 HydrophobicContact CG2-CD1 3.85Å; I616-Y707 HydrophobicContact CB-CD2 3.73Å; I616-Y707 HydrophobicContact CB-CE2 4.11Å; I616-Y707 HydrophobicContact CB-CG 3.98Å; I616-Y707 HydrophobicContact CG1-CD2 3.53Å; I616-Y707 HydrophobicContact CG1-CE2 3.71Å; I616-Y707 HydrophobicContact CG1-CG 4.3Å; I616-F709 HydrophobicContact CB-CZ 4.4Å; I616-F709 HydrophobicContact CG2-CE2 3.94Å; I616-F709 HydrophobicContact CG2-CZ 4.02Å; I616-F709 WeakPolarHBondContact O-CZ 3.36Å
617	H	97.8	Very high	97.4	Very high	72 Å²	72	39.8 Å²	39.8	33%	0.333	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.1	-178.7	-56	-87.6	0	0	0	110.6	L626 K627 E629	H617-L626 CarbonylContact O-C 3.55Å; H617-L626 VanDerWaalsContact O-CA 3.29Å; H617-L626 WeakPolarHBondContact O-CA 3.44Å; H617-L626 WeakPolarHBondContact O-CB 3.37Å; H617-K627 HydrophobicContact CB-CB 4.31Å; H617-K627 VanDerWaalsContact CD2-CE 3.47Å; H617-K627 WeakPolarHBondContact CD2-CE 3.4Å; H617-K627 PolarHBondContact N-O 3.46Å; H617-K627 PolarHBondContact O-N 2.84Å; H617-E629 IonicContact CD2-OE2 3.72Å; H617-E629 IonicContact CE1-OE2 2.75Å; H617-E629 IonicContact NE2-OE2 3.21Å; H617-E629 PolarHBondContact NE2-OE2 2.96Å
618	A	97.2	Very high	97.4	Very high	45 Å²	45	39.9 Å²	39.9	37%	0.372	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.9	170.2	0	0	0	0	0	111	L621 F709	A618-L621 HydrophobicContact CB-CD1 3.92Å; A618-L621 HydrophobicContact CB-CD2 3.94Å; A618-L621 HydrophobicContact CB-CG 3.77Å; A618-F709 HydrophobicContact CB-CD1 3.88Å; A618-F709 HydrophobicContact CB-CE1 4.01Å
619	R	96.4	Very high	97.4	Very high	139 Å²	139	39.5 Å²	39.5	53%	0.525	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-61.3	167.1	-72.2	-170.4	170.3	-176.3	2.5	110.8	E625 K627 E668	R619-E625 HydrophobicContact CB-CB 4.43Å; R619-E625 PolarHBondContact N-O 3.08Å; R619-K627 HydrophobicContact CG-CB 4.21Å; R619-K627 VanDerWaalsContact NH2-CD 3.32Å; R619-E668 IonicContact NH2-OE1 3.37Å; R619-E668 PolarHBondContact NH2-OE1 2.86Å; R619-E668 VanDerWaalsContact NH2-OE1 3.11Å
620	D	96.9	Very high	97.3	Very high	55 Å²	55	38.7 Å²	38.7	29%	0.294	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	94.8	170.6	-175.3	-16.9	0	0	0	109.4	T622 R623 G624 E625	D620-T622 PolarHBondContact O-N 2.72Å; D620-T622 WeakPolarHBondContact OD1-CB 3.44Å; D620-T622 PolarHBondContact OD1-N 2.85Å; D620-T622 PolarHBondContact OD1-OG1 2.71Å; D620-R623 HydrophobicContact CB-CB 4.44Å; D620-R623 CarbonylContact O-C 3.55Å; D620-R623 PolarHBondContact O-N 3.4Å; D620-R623 VanDerWaalsContact O-N 3.16Å; D620-R623 PolarHBondContact OD1-N 2.85Å; D620-R623 VanDerWaalsContact OD2-CD 3.25Å; D620-R623 WeakPolarHBondContact OD2-CD 3.2Å; D620-G624 PolarHBondContact O-N 2.8Å; D620-G624 VanDerWaalsContact O-N 3.12Å; D620-E625 CarbonylContact C-O 3.51Å; D620-E625 HydrophobicContact CB-CB 4.18Å; D620-E625 PolarHBondContact N-O 3Å; D620-E625 PolarHBondContact O-N 2.88Å
621	L	95	Very high	97.3	Very high	39 Å²	39	39.4 Å²	39.4	20%	0.204	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.3	-178.9	-69.2	169.8	0	0	0	113	A618 R623 G624 L626 L675 L685 F709 L711	A618-L621 HydrophobicContact CB-CD1 3.92Å; A618-L621 HydrophobicContact CB-CD2 3.94Å; A618-L621 HydrophobicContact CB-CG 3.77Å; L621-R623 PolarHBondContact O-N 3.45Å; L621-G624 PolarHBondContact O-N 3.18Å; L621-L626 HydrophobicContact CD2-CD2 4.11Å; L621-L675 WeakPolarHBondContact O-CD1 3.4Å; L621-L685 HydrophobicContact CD2-CD2 4.45Å; L621-F709 HydrophobicContact CD1-CB 3.79Å; L621-F709 HydrophobicContact CD1-CG 4.47Å; L621-F709 HydrophobicContact CD2-CB 3.85Å; L621-F709 HydrophobicContact CD2-CG 4.13Å; L621-F709 HydrophobicContact CG-CB 4.5Å; L621-L711 HydrophobicContact CB-CD2 4.25Å; L621-L711 HydrophobicContact CD2-CD2 4.4Å
622	T	91.9	Very high	97.2	Very high	125 Å²	125	40 Å²	40	77%	0.767	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.8	177.3	70.7	0	0	0	0	111.7	D620	D620-T622 PolarHBondContact O-N 2.72Å; D620-T622 WeakPolarHBondContact OD1-CB 3.44Å; D620-T622 PolarHBondContact OD1-N 2.85Å; D620-T622 PolarHBondContact OD1-OG1 2.71Å
623	R	94.4	Very high	97.1	Very high	159 Å²	159	40.7 Å²	40.7	60%	0.6	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.2	176.8	-65.9	174.8	56.3	162	-8.1	113	D620 L621 E625 Q672	D620-R623 HydrophobicContact CB-CB 4.44Å; D620-R623 CarbonylContact O-C 3.55Å; D620-R623 PolarHBondContact O-N 3.4Å; D620-R623 VanDerWaalsContact O-N 3.16Å; D620-R623 PolarHBondContact OD1-N 2.85Å; D620-R623 VanDerWaalsContact OD2-CD 3.25Å; D620-R623 WeakPolarHBondContact OD2-CD 3.2Å; L621-R623 PolarHBondContact O-N 3.45Å; R623-E625 VanDerWaalsContact C-N 3.25Å; R623-E625 HydrophobicContact CB-CG 3.99Å; R623-E625 IonicContact CZ-OE1 3.07Å; R623-E625 IonicContact NE-OE1 3.2Å; R623-E625 PolarHBondContact NE-OE1 3.36Å; R623-E625 IonicContact NH2-OE1 2.73Å; R623-E625 PolarHBondContact NH2-OE1 2.96Å; R623-E625 PolarHBondContact O-N 3.4Å; R623-Q672 PolarHBondContact O-NE2 3.35Å
624	G	96.4	Very high	97.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	20.5	-174.5	0	0	0	0	0	114	D620 L621 Q672 I673	D620-G624 PolarHBondContact O-N 2.8Å; D620-G624 VanDerWaalsContact O-N 3.12Å; L621-G624 PolarHBondContact O-N 3.18Å; G624-Q672 VanDerWaalsContact C-NE2 3.33Å; G624-Q672 PolarHBondContact O-NE2 3.42Å; G624-Q672 VanDerWaalsContact O-NE2 3.15Å; G624-I673 PolarHBondContact O-N 3.21Å
625	E	98.2	Very high	97	Very high	56 Å²	56	43 Å²	43	26%	0.262	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.7	-179.1	-68.1	175.8	-166.9	0	0	110.4	R619 D620 R623 Q672	R619-E625 HydrophobicContact CB-CB 4.43Å; R619-E625 PolarHBondContact N-O 3.08Å; D620-E625 CarbonylContact C-O 3.51Å; D620-E625 HydrophobicContact CB-CB 4.18Å; D620-E625 PolarHBondContact N-O 3Å; D620-E625 PolarHBondContact O-N 2.88Å; R623-E625 VanDerWaalsContact C-N 3.25Å; R623-E625 HydrophobicContact CB-CG 3.99Å; R623-E625 IonicContact CZ-OE1 3.07Å; R623-E625 IonicContact NE-OE1 3.2Å; R623-E625 PolarHBondContact NE-OE1 3.36Å; R623-E625 IonicContact NH2-OE1 2.73Å; R623-E625 PolarHBondContact NH2-OE1 2.96Å; R623-E625 PolarHBondContact O-N 3.4Å; E625-Q672 VanDerWaalsContact CG-OE1 3.3Å
626	L	98.4	Very high	97	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	179.9	179.1	-66.7	129.8	0	0	0	110	I616 H617 L621 L671 I673 L685 I687 F709	I616-L626 HydrophobicContact CG2-CD2 3.96Å; H617-L626 CarbonylContact O-C 3.55Å; H617-L626 VanDerWaalsContact O-CA 3.29Å; H617-L626 WeakPolarHBondContact O-CA 3.44Å; H617-L626 WeakPolarHBondContact O-CB 3.37Å; L621-L626 HydrophobicContact CD2-CD2 4.11Å; L626-L671 CarbonylContact C-O 3.6Å; L626-L671 WeakPolarHBondContact CA-O 3.29Å; L626-L671 HydrophobicContact CB-CB 4Å; L626-L671 HydrophobicContact CB-CD2 4.04Å; L626-L671 HydrophobicContact CB-CG 4.24Å; L626-L671 HydrophobicContact CD1-CD2 4.42Å; L626-L671 PolarHBondContact N-O 3.47Å; L626-L671 PolarHBondContact O-N 3.02Å; L626-L671 VanDerWaalsContact O-O 3.06Å; L626-I673 HydrophobicContact CD1-CB 4.07Å; L626-I673 HydrophobicContact CD1-CD1 4.42Å; L626-I673 HydrophobicContact CD1-CG1 3.26Å; L626-L685 HydrophobicContact CD1-CD2 3.83Å; L626-L685 HydrophobicContact CD2-CD2 4.35Å; L626-I687 HydrophobicContact CD1-CD1 4.31Å; L626-I687 HydrophobicContact CD2-CD1 4.36Å; L626-F709 HydrophobicContact CD2-CD2 4.06Å; L626-F709 HydrophobicContact CD2-CE2 3.82Å; L626-F709 HydrophobicContact CD2-CZ 4.17Å
627	K	98.3	Very high	97	Very high	35 Å²	35	44 Å²	44	15%	0.152	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.8	173.8	-174	-175.3	82	160.8	0	108.8	I616 H617 R619 E668	I616-K627 WeakPolarHBondContact CA-O 3.22Å; H617-K627 HydrophobicContact CB-CB 4.31Å; H617-K627 VanDerWaalsContact CD2-CE 3.47Å; H617-K627 WeakPolarHBondContact CD2-CE 3.4Å; H617-K627 PolarHBondContact N-O 3.46Å; H617-K627 PolarHBondContact O-N 2.84Å; R619-K627 HydrophobicContact CG-CB 4.21Å; R619-K627 VanDerWaalsContact NH2-CD 3.32Å; K627-E668 HydrophobicContact CD-CB 4.17Å; K627-E668 HydrophobicContact CD-CG 4.44Å; K627-E668 VanDerWaalsContact CD-OE2 3.31Å; K627-E668 WeakPolarHBondContact CD-OE2 3.2Å; K627-E668 WeakPolarHBondContact CE-OE2 3.24Å; K627-E668 HydrophobicContact CG-CB 4.23Å; K627-E668 IonicContact NZ-OE2 3.96Å; K627-E668 PolarHBondContact NZ-OE2 2.82Å
628	V	98.6	Very high	97	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.6	165.5	60.2	0	0	0	0	108.8	V614 K615 I616 L637 L660 V663 E668 A669	V614-V628 HydrophobicContact CG1-CG2 3.89Å; K615-V628 CarbonylContact O-C 3.55Å; K615-V628 WeakPolarHBondContact O-CA 3.13Å; I616-V628 HydrophobicContact CD1-CB 3.92Å; I616-V628 HydrophobicContact CD1-CG2 3.8Å; V628-L637 HydrophobicContact CG2-CD1 3.74Å; V628-L660 HydrophobicContact CB-CD2 4.49Å; V628-L660 HydrophobicContact CG1-CD2 4.19Å; V628-L660 HydrophobicContact CG2-CD1 3.98Å; V628-L660 HydrophobicContact CG2-CD2 4.23Å; V628-V663 HydrophobicContact CG1-CG2 4.22Å; V628-E668 CarbonylContact O-C 3.52Å; V628-E668 VanDerWaalsContact O-CA 3.27Å; V628-E668 WeakPolarHBondContact O-CA 3.13Å; V628-E668 WeakPolarHBondContact O-CB 3.38Å; V628-A669 HydrophobicContact CG1-CB 3.93Å; V628-A669 WeakPolarHBondContact CG1-O 3.34Å; V628-A669 PolarHBondContact N-O 3.24Å; V628-A669 PolarHBondContact O-N 2.93Å
629	E	98.3	Very high	97	Very high	30 Å²	30	43.9 Å²	43.9	14%	0.14	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.6	176.9	170.3	-178.1	-151.7	0	0	109.1	K615 H617 K631 E668	K615-E629 HydrophobicContact CB-CB 4.11Å; K615-E629 PolarHBondContact N-O 2.88Å; K615-E629 PolarHBondContact O-N 3.21Å; H617-E629 IonicContact CD2-OE2 3.72Å; H617-E629 IonicContact CE1-OE2 2.75Å; H617-E629 IonicContact NE2-OE2 3.21Å; H617-E629 PolarHBondContact NE2-OE2 2.96Å; E629-K631 VanDerWaalsContact CD-CE 3.47Å; E629-K631 HydrophobicContact CG-CD 4.09Å; E629-K631 HydrophobicContact CG-CG 4.26Å; E629-K631 WeakPolarHBondContact OE1-CE 3.45Å; E629-K631 IonicContact OE1-NZ 2.71Å; E629-K631 PolarHBondContact OE1-NZ 2.84Å; E629-E668 HydrophobicContact CB-CB 4.35Å
630	N	98.4	Very high	97.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.3	177.3	-174.8	0.7	0	0	0	109.1	L632 T635 L637 V663 A664 P665 N666 S667	N630-L632 WeakPolarHBondContact OD1-CA 3.42Å; N630-L632 WeakPolarHBondContact OD1-CB 3.06Å; N630-L632 WeakPolarHBondContact OD1-CG 3.48Å; N630-L632 PolarHBondContact OD1-N 2.91Å; N630-T635 PolarHBondContact ND2-O 3.29Å; N630-L637 HydrophobicContact CB-CD1 3.79Å; N630-L637 HydrophobicContact CB-CD2 4Å; N630-L637 HydrophobicContact CB-CG 3.75Å; N630-L637 VanDerWaalsContact CG-CD2 3.42Å; N630-L637 VanDerWaalsContact OD1-CD2 3.3Å; N630-L637 WeakPolarHBondContact OD1-CD2 3.45Å; N630-V663 HydrophobicContact CB-CG1 3.88Å; N630-V663 PolarHBondContact ND2-O 3.09Å; N630-V663 VanDerWaalsContact ND2-O 3.17Å; N630-A664 WeakPolarHBondContact CB-O 3.49Å; N630-A664 PolarHBondContact ND2-O 3.41Å; N630-P665 WeakPolarHBondContact ND2-CA 3.12Å; N630-N666 WeakPolarHBondContact O-CA 3.29Å; N630-N666 PolarHBondContact O-N 3.2Å; N630-S667 PolarHBondContact N-O 3.32Å; N630-S667 PolarHBondContact O-N 2.62Å
631	K	96.8	Very high	97.2	Very high	23 Å²	23	35.9 Å²	35.9	10%	0.1	18%	0.18	C	C	.	.			trans	-98.8	18.6	172.8	-65.5	-56.9	-152.3	-167.5	0	112.6	Y544 P613 K615 E629 W633	Y544-K631 HydrophobicContact CE1-CD 4.14Å; Y544-K631 HydrophobicContact CE1-CG 4.29Å; P613-K631 WeakPolarHBondContact O-CA 3.5Å; P613-K631 WeakPolarHBondContact O-CB 3.46Å; P613-K631 PolarHBondContact O-N 2.87Å; K615-K631 HydrophobicContact CG-CG 3.92Å; E629-K631 VanDerWaalsContact CD-CE 3.47Å; E629-K631 HydrophobicContact CG-CD 4.09Å; E629-K631 HydrophobicContact CG-CG 4.26Å; E629-K631 WeakPolarHBondContact OE1-CE 3.45Å; E629-K631 IonicContact OE1-NZ 2.71Å; E629-K631 PolarHBondContact OE1-NZ 2.84Å; K631-W633 WeakPolarHBondContact O-CH2 3.14Å; K631-W633 WeakPolarHBondContact O-CZ2 3.21Å; K631-W633 WeakPolarHBondContact O-CZ3 3.36Å
632	L	97.6	Very high	97.4	Very high	13 Å²	13	34 Å²	34	7%	0.068	17%	0.17	C	C	.	.			trans	-84.3	152.5	159.2	-56.9	168.9	0	0	0	109.1	E301 P613 N630 T635 L637 Y640 P665 N666	E301-L632 HydrophobicContact CG-CD2 4.18Å; P613-L632 HydrophobicContact CB-CD2 3.43Å; P613-L632 VanDerWaalsContact CB-CD2 3.43Å; P613-L632 HydrophobicContact CB-CG 3.8Å; P613-L632 HydrophobicContact CG-CD2 4.08Å; N630-L632 WeakPolarHBondContact OD1-CA 3.42Å; N630-L632 WeakPolarHBondContact OD1-CB 3.06Å; N630-L632 WeakPolarHBondContact OD1-CG 3.48Å; N630-L632 PolarHBondContact OD1-N 2.91Å; L632-T635 WeakPolarHBondContact CD1-OG1 3.11Å; L632-L637 HydrophobicContact CD1-CD2 3.93Å; L632-Y640 HydrophobicContact CD1-CE2 3.65Å; L632-Y640 WeakPolarHBondContact CD1-OH 3.41Å; L632-P665 CarbonylContact O-C 3.58Å; L632-P665 WeakPolarHBondContact O-CA 3.45Å; L632-N666 PolarHBondContact O-N 3.05Å
633	W	96.5	Very high	97.7	Very high	14 Å²	14	30.9 Å²	30.9	5%	0.053	15%	0.146	C	C	.	.	S	Bend	trans	-111.9	-22.2	-173.2	-59.4	-82.3	0	0	0	113.3	E301 R344 Y345 V346 M347 H349 N382 K631 P665	E301-W633 PolarHBondContact OE1-N 3.15Å; R344-W633 WeakPolarHBondContact CD-O 3.24Å; R344-W633 PolarHBondContact NH1-O 2.79Å; R344-W633 VanDerWaalsContact NH1-O 3.1Å; Y345-W633 AromaticContact CD1-CD1 3.72Å; Y345-W633 AromaticContact CD1-NE1 3.56Å; Y345-W633 AromaticContact CE1-NE1 3.74Å; Y345-W633 VanDerWaalsContact O-CB 3.23Å; Y345-W633 WeakPolarHBondContact O-CB 3.31Å; V346-W633 HydrophobicContact CB-CD2 4.36Å; V346-W633 HydrophobicContact CB-CG 4.41Å; V346-W633 HydrophobicContact CG1-CB 4.05Å; V346-W633 HydrophobicContact CG1-CG 4.23Å; M347-W633 HydrophobicContact CB-CH2 3.78Å; M347-W633 HydrophobicContact CB-CZ2 3.35Å; M347-W633 WeakPolarHBondContact O-CH2 3.38Å; M347-W633 WeakPolarHBondContact O-CZ3 3.25Å; H349-W633 AromaticContact CE1-CH2 3.65Å; H349-W633 AromaticContact ND1-CH2 3.96Å; N382-W633 WeakPolarHBondContact ND2-CZ3 3.32Å; K631-W633 WeakPolarHBondContact O-CH2 3.14Å; K631-W633 WeakPolarHBondContact O-CZ2 3.21Å; K631-W633 WeakPolarHBondContact O-CZ3 3.36Å; W633-P665 VanDerWaalsContact C-CB 3.45Å; W633-P665 WeakPolarHBondContact O-CB 3.42Å
634	F	96.9	Very high	97.9	Very high	27 Å²	27	23.4 Å²	23.4	12%	0.118	12%	0.119	C	C	.	.	S	Bend	trans	-108.2	-31.8	-179.9	-56.1	-84.4	0	0	0	112.5	E301 I341 N342 R344 V346 F405	E301-F634 HydrophobicContact CB-CB 4.42Å; E301-F634 HydrophobicContact CB-CD2 4.49Å; E301-F634 HydrophobicContact CG-CD2 4.23Å; E301-F634 PolarHBondContact OE1-N 2.99Å; E301-F634 WeakPolarHBondContact OE2-CA 3.44Å; E301-F634 WeakPolarHBondContact OE2-CB 3.49Å; E301-F634 PolarHBondContact OE2-N 3.01Å; E301-F634 VanDerWaalsContact OE2-N 3.1Å; I341-F634 HydrophobicContact CB-CZ 4.07Å; I341-F634 HydrophobicContact CG2-CZ 4.07Å; I341-F634 WeakPolarHBondContact O-CE1 3.34Å; N342-F634 HydrophobicContact CB-CE1 4.22Å; R344-F634 HydrophobicContact CB-CD1 4.46Å; R344-F634 HydrophobicContact CB-CE1 3.94Å; R344-F634 HydrophobicContact CB-CZ 4.38Å; R344-F634 HydrophobicContact CG-CD1 4.3Å; R344-F634 HydrophobicContact CG-CE1 4.11Å; V346-F634 HydrophobicContact CG1-CE2 3.53Å; V346-F634 HydrophobicContact CG1-CZ 3.51Å; F405-F634 HydrophobicContact CZ-CE2 4.1Å; F405-F634 HydrophobicContact CZ-CZ 4.45Å
635	T	96.1	Very high	98	Very high	38 Å²	38	26.7 Å²	26.7	23%	0.233	13%	0.134	C	C	.	.			trans	-115.6	148.4	-169.1	57.5	0	0	0	0	114.4	E301 N630 L632 P665	E301-T635 HydrophobicContact CB-CG2 4.06Å; E301-T635 WeakPolarHBondContact OE2-CB 3.37Å; E301-T635 WeakPolarHBondContact OE2-CG2 3.4Å; E301-T635 PolarHBondContact OE2-N 3.41Å; E301-T635 PolarHBondContact OE2-OG1 2.94Å; N630-T635 PolarHBondContact ND2-O 3.29Å; L632-T635 WeakPolarHBondContact CD1-OG1 3.11Å; T635-P665 WeakPolarHBondContact O-CG 3.47Å
636	T	97.9	Very high	98	Very high	50 Å²	50	24.1 Å²	24.1	31%	0.307	12%	0.122	S	C	.	.			trans	-75.1	172.2	172.3	63	0	0	0	0	110.5	D638 V663	T636-D638 WeakPolarHBondContact CB-OD2 3.17Å; T636-D638 PolarHBondContact O-N 3.08Å; T636-D638 PolarHBondContact OG1-N 2.85Å; T636-D638 PolarHBondContact OG1-OD2 3.46Å; T636-V663 VanDerWaalsContact CA-O 3.29Å; T636-V663 WeakPolarHBondContact CA-O 3.22Å; T636-V663 WeakPolarHBondContact CB-O 3.04Å
637	L	98.3	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-85.3	15.4	173.4	-57.2	-172.7	0	0	0	114.4	V614 V628 N630 L632 D639 Y640 L660 V663	V614-L637 HydrophobicContact CG1-CD1 4.01Å; V614-L637 HydrophobicContact CG2-CD1 4.23Å; V614-L637 HydrophobicContact CG2-CD2 3.66Å; V628-L637 HydrophobicContact CG2-CD1 3.74Å; N630-L637 HydrophobicContact CB-CD1 3.79Å; N630-L637 HydrophobicContact CB-CD2 4Å; N630-L637 HydrophobicContact CB-CG 3.75Å; N630-L637 VanDerWaalsContact CG-CD2 3.42Å; N630-L637 VanDerWaalsContact OD1-CD2 3.3Å; N630-L637 WeakPolarHBondContact OD1-CD2 3.45Å; L632-L637 HydrophobicContact CD1-CD2 3.93Å; L637-D639 PolarHBondContact O-N 2.84Å; L637-D639 VanDerWaalsContact O-N 3.1Å; L637-Y640 HydrophobicContact CB-CD2 4.3Å; L637-Y640 HydrophobicContact CD2-CD2 3.94Å; L637-Y640 HydrophobicContact CD2-CE2 4.14Å; L637-Y640 PolarHBondContact O-N 2.87Å; L637-L660 HydrophobicContact CB-CB 3.9Å; L637-L660 HydrophobicContact CB-CD1 3.84Å; L637-L660 HydrophobicContact CD1-CD1 3.73Å; L637-L660 HydrophobicContact CG-CD1 4.4Å; L637-L660 WeakPolarHBondContact O-CB 3.44Å; L637-V663 HydrophobicContact CB-CB 4.11Å; L637-V663 HydrophobicContact CB-CG2 4.48Å; L637-V663 HydrophobicContact CD1-CB 4.08Å; L637-V663 HydrophobicContact CD1-CG1 4.06Å; L637-V663 HydrophobicContact CD1-CG2 4.46Å; L637-V663 HydrophobicContact CG-CB 4.05Å; L637-V663 HydrophobicContact CG-CG1 4.36Å; L637-V663 PolarHBondContact N-O 3.43Å
638	D	98.3	Very high	97.9	Very high	66 Å²	66	25.2 Å²	25.2	35%	0.353	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.7	-177.1	-64.3	-36.9	0	0	0	113.9	T636 K659 R661 D662	T636-D638 WeakPolarHBondContact CB-OD2 3.17Å; T636-D638 PolarHBondContact O-N 3.08Å; T636-D638 PolarHBondContact OG1-N 2.85Å; T636-D638 PolarHBondContact OG1-OD2 3.46Å; D638-K659 WeakPolarHBondContact O-CE 3.18Å; D638-K659 PolarHBondContact O-NZ 2.95Å; D638-R661 WeakPolarHBondContact OD1-CA 3.43Å; D638-D662 PolarHBondContact OD1-N 2.88Å
639	D	97.8	Very high	97.6	Very high	47 Å²	47	28.1 Å²	28.1	25%	0.251	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.2	174.3	-165.5	32.9	0	0	0	112.6	L637 K691 D692 S693	L637-D639 PolarHBondContact O-N 2.84Å; L637-D639 VanDerWaalsContact O-N 3.1Å; D639-K691 WeakPolarHBondContact OD2-CE 3.47Å; D639-K691 WeakPolarHBondContact OD2-CG 3.24Å; D639-D692 PolarHBondContact O-N 3.26Å; D639-S693 VanDerWaalsContact OD1-CB 3.22Å; D639-S693 WeakPolarHBondContact OD1-CB 3.24Å; D639-S693 PolarHBondContact OD1-N 3.09Å; D639-S693 PolarHBondContact OD1-OG 2.88Å; D639-S693 WeakPolarHBondContact OD2-CB 3.19Å; D639-S693 PolarHBondContact OD2-OG 3.47Å
640	Y	98.6	Very high	97.3	Very high	13 Å²	13	28 Å²	28	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.3	-176.6	-61.8	-97.6	0	0	0	112.5	V614 L632 L637 K659 L660 V689 T690 K691 I704	V614-Y640 HydrophobicContact CG2-CD1 3.85Å; V614-Y640 HydrophobicContact CG2-CE1 4.09Å; V614-Y640 HydrophobicContact CG2-CG 4.1Å; L632-Y640 HydrophobicContact CD1-CE2 3.65Å; L632-Y640 WeakPolarHBondContact CD1-OH 3.41Å; L637-Y640 HydrophobicContact CB-CD2 4.3Å; L637-Y640 HydrophobicContact CD2-CD2 3.94Å; L637-Y640 HydrophobicContact CD2-CE2 4.14Å; L637-Y640 PolarHBondContact O-N 2.87Å; Y640-K659 PolarHBondContact O-NZ 2.79Å; Y640-L660 PolarHBondContact O-N 3.11Å; Y640-V689 HydrophobicContact CD1-CG1 4.1Å; Y640-T690 VanDerWaalsContact CA-O 3.31Å; Y640-T690 WeakPolarHBondContact CA-O 3.26Å; Y640-K691 HydrophobicContact CD1-CB 4.28Å; Y640-K691 HydrophobicContact CE1-CB 4.08Å; Y640-K691 HydrophobicContact CE1-CG 4.36Å; Y640-I704 HydrophobicContact CD1-CG1 4.21Å; Y640-I704 HydrophobicContact CE1-CD1 4.3Å; Y640-I704 HydrophobicContact CE1-CG1 3.94Å
641	T	98.8	Very high	97.3	Very high	14 Å²	14	32.7 Å²	32.7	9%	0.086	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.4	177.6	-62.2	0	0	0	0	110	K659 T690 D692	T641-K659 WeakPolarHBondContact OG1-CD 3.46Å; T641-T690 PolarHBondContact N-O 3.02Å; T641-T690 PolarHBondContact O-N 2.82Å; T641-T690 PolarHBondContact O-OG1 2.83Å; T641-D692 VanDerWaalsContact CB-OD1 3.31Å; T641-D692 WeakPolarHBondContact CB-OD1 3.27Å; T641-D692 VanDerWaalsContact OG1-CG 3.29Å; T641-D692 PolarHBondContact OG1-OD1 3.16Å; T641-D692 PolarHBondContact OG1-OD2 3.31Å
642	L	98.7	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.7	172.5	-52.5	-176.2	0	0	0	110	I616 Q657 I658 L660 L671 I687 V689	I616-L642 HydrophobicContact CD1-CD1 3.8Å; I616-L642 HydrophobicContact CD1-CD2 3.98Å; L642-Q657 CarbonylContact O-C 3.59Å; L642-Q657 WeakPolarHBondContact O-CA 3.41Å; L642-I658 HydrophobicContact CB-CB 4.28Å; L642-I658 PolarHBondContact N-O 2.8Å; L642-I658 PolarHBondContact O-N 2.78Å; L642-L660 HydrophobicContact CD1-CD2 3.84Å; L642-L660 HydrophobicContact CD1-CG 4.46Å; L642-L660 HydrophobicContact CD2-CD1 4.09Å; L642-L660 HydrophobicContact CG-CD1 4.19Å; L642-L660 HydrophobicContact CG-CD2 4Å; L642-L660 HydrophobicContact CG-CG 4.08Å; L642-L671 HydrophobicContact CD1-CD1 3.92Å; L642-L671 HydrophobicContact CD1-CD2 3.46Å; L642-L671 VanDerWaalsContact CD1-CD2 3.46Å; L642-L671 HydrophobicContact CD1-CG 4.36Å; L642-I687 HydrophobicContact CB-CG2 4.1Å; L642-I687 HydrophobicContact CD1-CG2 4.48Å; L642-I687 HydrophobicContact CD2-CG2 4.21Å; L642-V689 HydrophobicContact CD2-CB 4.24Å; L642-V689 HydrophobicContact CD2-CG1 4.1Å; L642-V689 HydrophobicContact CD2-CG2 3.67Å
643	H	98.5	Very high	97.3	Very high	58 Å²	58	35.9 Å²	35.9	27%	0.269	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	102.2	170.9	-54.8	-92.5	0	0	0	107.7	Q657 I687 T688 T690	H643-Q657 PolarHBondContact ND1-NE2 2.96Å; H643-I687 WeakPolarHBondContact O-CA 3.33Å; H643-T688 PolarHBondContact N-O 3.01Å; H643-T688 PolarHBondContact O-N 2.98Å; H643-T690 PolarHBondContact NE2-OG1 3.12Å
644	A	98.5	Very high	97.4	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.5	-179	0	0	0	0	0	110.6	T655 Q656 I673 L685 N686 I687	A644-T655 CarbonylContact O-C 3.52Å; A644-T655 VanDerWaalsContact O-CA 3.3Å; A644-T655 WeakPolarHBondContact O-CA 3.2Å; A644-Q656 HydrophobicContact CB-CB 4.37Å; A644-Q656 PolarHBondContact N-O 3.11Å; A644-Q656 PolarHBondContact O-N 3.37Å; A644-I673 HydrophobicContact CB-CD1 3.85Å; A644-L685 HydrophobicContact CB-CD1 4.18Å; A644-N686 CarbonylContact C-O 3.59Å; A644-N686 VanDerWaalsContact CA-O 3.28Å; A644-N686 WeakPolarHBondContact CA-O 3.32Å; A644-I687 HydrophobicContact CB-CG1 4.06Å
645	E	98.1	Very high	97.4	Very high	69 Å²	69	40.1 Å²	40.1	32%	0.322	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131	175.4	-58	-166.5	148.4	0	0	110.1	R647 T652 A654 T655 N686	E645-R647 HydrophobicContact CB-CG 4.02Å; E645-R647 WeakPolarHBondContact OE2-CD 3.27Å; E645-T652 HydrophobicContact CB-CG2 4.39Å; E645-A654 CarbonylContact C-O 3.59Å; E645-A654 WeakPolarHBondContact CA-O 3.19Å; E645-T655 HydrophobicContact CG-CG2 4.16Å; E645-N686 PolarHBondContact N-O 2.56Å; E645-N686 PolarHBondContact O-N 3.01Å
646	V	98.3	Very high	97.5	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.3	166.9	177.1	0	0	0	0	107.7	L653 A654 L675 P676 L678 F684 L685 L711	V646-L653 HydrophobicContact CG1-CB 4.34Å; V646-L653 HydrophobicContact CG1-CD1 4.37Å; V646-L653 PolarHBondContact O-N 3.24Å; V646-A654 HydrophobicContact CB-CB 4.35Å; V646-A654 PolarHBondContact N-O 3.2Å; V646-A654 PolarHBondContact O-N 3.07Å; V646-L675 HydrophobicContact CG2-CD2 4.05Å; V646-P676 HydrophobicContact CB-CG 3.95Å; V646-P676 HydrophobicContact CG1-CG 3.72Å; V646-P676 HydrophobicContact CG2-CG 4.27Å; V646-L678 HydrophobicContact CG1-CD2 3.85Å; V646-F684 CarbonylContact C-O 3.6Å; V646-F684 WeakPolarHBondContact CA-O 3.5Å; V646-L685 HydrophobicContact CG2-CD1 4.08Å; V646-L711 HydrophobicContact CB-CD1 4.48Å; V646-L711 HydrophobicContact CG1-CD1 3.72Å; V646-L711 HydrophobicContact CG2-CD1 4.05Å
647	R	97.8	Very high	97.5	Very high	59 Å²	59	45.9 Å²	45.9	22%	0.223	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.4	-175.9	-57.1	-163.1	74.3	-173.9	-8.8	111.9	E645 G650 E651 T652 A683 F684 N686 D899	E645-R647 HydrophobicContact CB-CG 4.02Å; E645-R647 WeakPolarHBondContact OE2-CD 3.27Å; R647-G650 PolarHBondContact NH2-O 2.63Å; R647-E651 CarbonylContact C-O 3.5Å; R647-E651 WeakPolarHBondContact CA-O 2.92Å; R647-T652 PolarHBondContact NE-OG1 3.22Å; R647-A683 CarbonylContact O-C 3.57Å; R647-A683 VanDerWaalsContact O-CA 3.27Å; R647-A683 WeakPolarHBondContact O-CA 3.39Å; R647-F684 PolarHBondContact N-O 3.37Å; R647-F684 PolarHBondContact O-N 2.89Å; R647-N686 WeakPolarHBondContact CD-ND2 3.45Å; R647-D899 IonicContact CZ-OD2 2.72Å; R647-D899 IonicContact NE-OD2 3.72Å; R647-D899 IonicContact NH1-OD2 3.64Å; R647-D899 PolarHBondContact NH1-OD2 3.26Å; R647-D899 IonicContact NH2-OD2 3.91Å
648	A	97.5	Very high	97.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	117.4	174.2	0	0	0	0	0	109.6	G650 E651 L653 R681 E682 A683	A648-G650 PolarHBondContact O-N 2.84Å; A648-E651 PolarHBondContact N-O 2.74Å; A648-E651 WeakPolarHBondContact O-CB 3.25Å; A648-E651 PolarHBondContact O-N 3.11Å; A648-L653 HydrophobicContact CB-CD1 3.85Å; A648-L653 HydrophobicContact CB-CG 4.25Å; A648-R681 HydrophobicContact CB-CB 4.1Å; A648-R681 PolarHBondContact O-NH1 2.85Å; A648-E682 VanDerWaalsContact CA-O 3.26Å; A648-E682 WeakPolarHBondContact CA-O 3.48Å; A648-E682 WeakPolarHBondContact CB-O 3.47Å; A648-A683 HydrophobicContact CB-CB 4.19Å
649	E	92.5	Very high	97.5	Very high	64 Å²	64	47.7 Å²	47.7	30%	0.299	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	54.7	179.4	-61	179.5	-176.8	0	0	113.4	E651 R681 N714 Y881 I900	E649-E651 VanDerWaalsContact C-N 3.27Å; E649-E651 PolarHBondContact O-N 2.94Å; E649-R681 HydrophobicContact CG-CB 4.14Å; E649-R681 HydrophobicContact CG-CG 4.31Å; E649-R681 WeakPolarHBondContact OE2-CD 3.26Å; E649-N714 PolarHBondContact OE1-ND2 3.22Å; E649-N714 VanDerWaalsContact OE1-ND2 3.14Å; E649-Y881 HydrophobicContact CG-CE1 3.92Å; E649-I900 HydrophobicContact CB-CD1 4.21Å; E649-I900 WeakPolarHBondContact O-CD1 3.36Å
650	G	92.3	Very high	97.5	Very high	28 Å²	28	45.8 Å²	45.8	29%	0.289	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-9.5	178.7	0	0	0	0	0	116.1	R647 A648 D899	R647-G650 PolarHBondContact NH2-O 2.63Å; A648-G650 PolarHBondContact O-N 2.84Å; G650-D899 WeakPolarHBondContact CA-OD1 3.48Å; G650-D899 PolarHBondContact N-OD1 2.88Å
651	E	96.8	Very high	97.4	Very high	98 Å²	98	54 Å²	54	46%	0.458	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.3	174.8	-172.2	-176.6	175	0	0	111.4	R647 A648 E649 L653 R681	R647-E651 CarbonylContact C-O 3.5Å; R647-E651 WeakPolarHBondContact CA-O 2.92Å; A648-E651 PolarHBondContact N-O 2.74Å; A648-E651 WeakPolarHBondContact O-CB 3.25Å; A648-E651 PolarHBondContact O-N 3.11Å; E649-E651 VanDerWaalsContact C-N 3.27Å; E649-E651 PolarHBondContact O-N 2.94Å; E651-L653 HydrophobicContact CG-CD2 4.2Å; E651-R681 IonicContact OE2-CZ 3.08Å; E651-R681 IonicContact OE2-NH1 2.93Å; E651-R681 PolarHBondContact OE2-NH1 2.67Å; E651-R681 IonicContact OE2-NH2 2.62Å; E651-R681 PolarHBondContact OE2-NH2 3.22Å
652	T	97.9	Very high	97.2	Very high	55 Å²	55	59.8 Å²	59.8	34%	0.337	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.2	171.5	-58.1	0	0	0	0	110.1	E645 R647 T655	E645-T652 HydrophobicContact CB-CG2 4.39Å; R647-T652 PolarHBondContact NE-OG1 3.22Å; T652-T655 HydrophobicContact CG2-CG2 3.48Å; T652-T655 VanDerWaalsContact CG2-CG2 3.48Å
653	L	97.7	Very high	97.2	Very high	48 Å²	48	60.1 Å²	60.1	25%	0.251	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-32.8	-178.7	-55.8	-175.6	0	0	0	112.6	V646 A648 E651 P676 L678	V646-L653 HydrophobicContact CG1-CB 4.34Å; V646-L653 HydrophobicContact CG1-CD1 4.37Å; V646-L653 PolarHBondContact O-N 3.24Å; A648-L653 HydrophobicContact CB-CD1 3.85Å; A648-L653 HydrophobicContact CB-CG 4.25Å; E651-L653 HydrophobicContact CG-CD2 4.2Å; L653-P676 HydrophobicContact CB-CG 4.07Å; L653-L678 HydrophobicContact CD1-CD2 4.09Å
654	A	97.6	Very high	97.2	Very high	29 Å²	29	59.6 Å²	59.6	24%	0.24	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	152.3	177.5	0	0	0	0	0	110.9	E645 V646 P676	E645-A654 CarbonylContact C-O 3.59Å; E645-A654 WeakPolarHBondContact CA-O 3.19Å; V646-A654 HydrophobicContact CB-CB 4.35Å; V646-A654 PolarHBondContact N-O 3.2Å; V646-A654 PolarHBondContact O-N 3.07Å; A654-P676 HydrophobicContact CB-CB 4.09Å; A654-P676 HydrophobicContact CB-CG 3.8Å
655	T	98.2	Very high	97.1	Very high	101 Å²	101	60.9 Å²	60.9	62%	0.62	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.1	175.3	58.9	0	0	0	0	110.1	A644 E645 T652	A644-T655 CarbonylContact O-C 3.52Å; A644-T655 VanDerWaalsContact O-CA 3.3Å; A644-T655 WeakPolarHBondContact O-CA 3.2Å; E645-T655 HydrophobicContact CG-CG2 4.16Å; T652-T655 HydrophobicContact CG2-CG2 3.48Å; T652-T655 VanDerWaalsContact CG2-CG2 3.48Å
656	Q	98.1	Very high	97	Very high	59 Å²	59	61.4 Å²	61.4	28%	0.276	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136	175.1	-167.9	173.6	34.8	0	0	110.3	A644 I658	A644-Q656 HydrophobicContact CB-CB 4.37Å; A644-Q656 PolarHBondContact N-O 3.11Å; A644-Q656 PolarHBondContact O-N 3.37Å; Q656-I658 HydrophobicContact CG-CD1 4.28Å; Q656-I658 HydrophobicContact CG-CG1 3.95Å
657	Q	98.1	Very high	97	Very high	150 Å²	150	63 Å²	63	70%	0.701	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.7	168.8	-70.8	-176.8	-5.4	0	0	109.3	L642 H643	L642-Q657 CarbonylContact O-C 3.59Å; L642-Q657 WeakPolarHBondContact O-CA 3.41Å; H643-Q657 PolarHBondContact ND1-NE2 2.96Å
658	I	98.2	Very high	97	Very high	30 Å²	30	64.8 Å²	64.8	15%	0.154	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.6	-179	-56.4	179.6	0	0	0	108.7	L642 Q656 L660 L671 I673	L642-I658 HydrophobicContact CB-CB 4.28Å; L642-I658 PolarHBondContact N-O 2.8Å; L642-I658 PolarHBondContact O-N 2.78Å; Q656-I658 HydrophobicContact CG-CD1 4.28Å; Q656-I658 HydrophobicContact CG-CG1 3.95Å; I658-L660 PolarHBondContact O-N 2.9Å; I658-L671 HydrophobicContact CD1-CD1 3.84Å; I658-L671 HydrophobicContact CG2-CD1 3.94Å; I658-I673 HydrophobicContact CD1-CD1 3.24Å; I658-I673 HydrophobicContact CG1-CD1 4.49Å
659	K	98.1	Very high	97.1	Very high	74 Å²	74	66 Å²	66	32%	0.322	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	120.3	170.5	-178.5	61.7	-169.8	164.1	0	109	D638 Y640 T641 R661 D692	D638-K659 WeakPolarHBondContact O-CE 3.18Å; D638-K659 PolarHBondContact O-NZ 2.95Å; Y640-K659 PolarHBondContact O-NZ 2.79Å; T641-K659 WeakPolarHBondContact OG1-CD 3.46Å; K659-R661 HydrophobicContact CG-CG 4.36Å; K659-D692 IonicContact NZ-OD2 2.99Å; K659-D692 PolarHBondContact NZ-OD2 3.13Å
660	L	98.1	Very high	97.3	Very high	7 Å²	7	68.1 Å²	68.1	4%	0.037	37%	0.37	C	S	.	.			trans	-71.8	141.1	172.7	-62.3	-180	0	0	0	109.3	V614 V628 L637 Y640 L642 I658	V614-L660 HydrophobicContact CG1-CD1 4.1Å; V628-L660 HydrophobicContact CB-CD2 4.49Å; V628-L660 HydrophobicContact CG1-CD2 4.19Å; V628-L660 HydrophobicContact CG2-CD1 3.98Å; V628-L660 HydrophobicContact CG2-CD2 4.23Å; L637-L660 HydrophobicContact CB-CB 3.9Å; L637-L660 HydrophobicContact CB-CD1 3.84Å; L637-L660 HydrophobicContact CD1-CD1 3.73Å; L637-L660 HydrophobicContact CG-CD1 4.4Å; L637-L660 WeakPolarHBondContact O-CB 3.44Å; Y640-L660 PolarHBondContact O-N 3.11Å; L642-L660 HydrophobicContact CD1-CD2 3.84Å; L642-L660 HydrophobicContact CD1-CG 4.46Å; L642-L660 HydrophobicContact CD2-CD1 4.09Å; L642-L660 HydrophobicContact CG-CD1 4.19Å; L642-L660 HydrophobicContact CG-CD2 4Å; L642-L660 HydrophobicContact CG-CG 4.08Å; I658-L660 PolarHBondContact O-N 2.9Å
661	R	96	Very high	97.6	Very high	184 Å²	184	67.4 Å²	67.4	69%	0.694	36%	0.36	S	S	*	.			trans	-141.9	135.9	-178.6	-64.9	-172.7	-178.5	-125.2	-1.4	110.6	D638 K659 V663	D638-R661 WeakPolarHBondContact OD1-CA 3.43Å; K659-R661 HydrophobicContact CG-CG 4.36Å; R661-V663 PolarHBondContact O-N 3.48Å
662	D	95.1	Very high	97.6	Very high	136 Å²	136	67.4 Å²	67.4	73%	0.727	36%	0.36	S	S	*	.	S	Bend	trans	56.1	25.1	167.5	-52.5	-59.9	0	0	0	114.2	D638 A664	D638-D662 PolarHBondContact OD1-N 2.88Å; D662-A664 PolarHBondContact O-N 2.78Å
663	V	98.3	Very high	97.6	Very high	7 Å²	7	65 Å²	65	4%	0.042	35%	0.345	C	S	.	.			trans	-82.3	101.2	171.6	-169.2	0	0	0	0	107.7	V628 N630 T636 L637 R661 A669	V628-V663 HydrophobicContact CG1-CG2 4.22Å; N630-V663 HydrophobicContact CB-CG1 3.88Å; N630-V663 PolarHBondContact ND2-O 3.09Å; N630-V663 VanDerWaalsContact ND2-O 3.17Å; T636-V663 VanDerWaalsContact CA-O 3.29Å; T636-V663 WeakPolarHBondContact CA-O 3.22Å; T636-V663 WeakPolarHBondContact CB-O 3.04Å; L637-V663 HydrophobicContact CB-CB 4.11Å; L637-V663 HydrophobicContact CB-CG2 4.48Å; L637-V663 HydrophobicContact CD1-CB 4.08Å; L637-V663 HydrophobicContact CD1-CG1 4.06Å; L637-V663 HydrophobicContact CD1-CG2 4.46Å; L637-V663 HydrophobicContact CG-CB 4.05Å; L637-V663 HydrophobicContact CG-CG1 4.36Å; L637-V663 PolarHBondContact N-O 3.43Å; R661-V663 PolarHBondContact O-N 3.48Å; V663-A669 HydrophobicContact CG1-CB 4.22Å; V663-A669 HydrophobicContact CG2-CB 3.85Å
664	A	98	Very high	97.5	Very high	47 Å²	47	67.6 Å²	67.6	39%	0.388	36%	0.363	S	S	.	.			trans	-58.6	157.7	-175.9	0	0	0	0	0	112.4	N630 D662 S667	N630-A664 WeakPolarHBondContact CB-O 3.49Å; N630-A664 PolarHBondContact ND2-O 3.41Å; D662-A664 PolarHBondContact O-N 2.78Å; A664-S667 VanDerWaalsContact C-OG 3.29Å; A664-S667 WeakPolarHBondContact CA-OG 3.29Å; A664-S667 PolarHBondContact N-OG 3.1Å; A664-S667 WeakPolarHBondContact O-CB 3.12Å; A664-S667 PolarHBondContact O-N 2.78Å; A664-S667 PolarHBondContact O-OG 2.83Å
665	P	97.4	Very high	97.4	Very high	31 Å²	31	68.6 Å²	68.6	20%	0.201	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	143.7	173.6	-21	31.7	0	0	0	112.3	N630 L632 W633 T635 S667	N630-P665 WeakPolarHBondContact ND2-CA 3.12Å; L632-P665 CarbonylContact O-C 3.58Å; L632-P665 WeakPolarHBondContact O-CA 3.45Å; W633-P665 VanDerWaalsContact C-CB 3.45Å; W633-P665 WeakPolarHBondContact O-CB 3.42Å; T635-P665 WeakPolarHBondContact O-CG 3.47Å; P665-S667 VanDerWaalsContact C-N 3.25Å; P665-S667 PolarHBondContact O-N 3.35Å
666	N	96.3	Very high	97.3	Very high	80 Å²	80	65.5 Å²	65.5	43%	0.428	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	45.8	-178.6	-161.9	38.8	0	0	0	113.4	N630 L632	N630-N666 WeakPolarHBondContact O-CA 3.29Å; N630-N666 PolarHBondContact O-N 3.2Å; L632-N666 PolarHBondContact O-N 3.05Å
667	S	97.8	Very high	97.1	Very high	37 Å²	37	71.7 Å²	71.7	26%	0.259	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	179.1	-176.3	82.9	0	0	0	0	111.9	N630 A664 P665	N630-S667 PolarHBondContact N-O 3.32Å; N630-S667 PolarHBondContact O-N 2.62Å; A664-S667 VanDerWaalsContact C-OG 3.29Å; A664-S667 WeakPolarHBondContact CA-OG 3.29Å; A664-S667 PolarHBondContact N-OG 3.1Å; A664-S667 WeakPolarHBondContact O-CB 3.12Å; A664-S667 PolarHBondContact O-N 2.78Å; A664-S667 PolarHBondContact O-OG 2.83Å; P665-S667 VanDerWaalsContact C-N 3.25Å; P665-S667 PolarHBondContact O-N 3.35Å
668	E	98.1	Very high	97	Very high	96 Å²	96	66.7 Å²	66.7	45%	0.449	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.4	-179.9	57.9	172.7	-121.9	0	0	112.2	R619 K627 V628 E629	R619-E668 IonicContact NH2-OE1 3.37Å; R619-E668 PolarHBondContact NH2-OE1 2.86Å; R619-E668 VanDerWaalsContact NH2-OE1 3.11Å; K627-E668 HydrophobicContact CD-CB 4.17Å; K627-E668 HydrophobicContact CD-CG 4.44Å; K627-E668 VanDerWaalsContact CD-OE2 3.31Å; K627-E668 WeakPolarHBondContact CD-OE2 3.2Å; K627-E668 WeakPolarHBondContact CE-OE2 3.24Å; K627-E668 HydrophobicContact CG-CB 4.23Å; K627-E668 IonicContact NZ-OE2 3.96Å; K627-E668 PolarHBondContact NZ-OE2 2.82Å; V628-E668 CarbonylContact O-C 3.52Å; V628-E668 VanDerWaalsContact O-CA 3.27Å; V628-E668 WeakPolarHBondContact O-CA 3.13Å; V628-E668 WeakPolarHBondContact O-CB 3.38Å; E629-E668 HydrophobicContact CB-CB 4.35Å
669	A	98.2	Very high	96.8	Very high	24 Å²	24	68.6 Å²	68.6	20%	0.198	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.8	175.1	0	0	0	0	0	111.1	V628 V663	V628-A669 HydrophobicContact CG1-CB 3.93Å; V628-A669 WeakPolarHBondContact CG1-O 3.34Å; V628-A669 PolarHBondContact N-O 3.24Å; V628-A669 PolarHBondContact O-N 2.93Å; V663-A669 HydrophobicContact CG1-CB 4.22Å; V663-A669 HydrophobicContact CG2-CB 3.85Å
670	P	97.8	Very high	96.6	Very high	109 Å²	109	67 Å²	67	71%	0.708	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.6	172.3	29.5	-34.3	0	0	0	110.6
671	L	97.4	Very high	96.5	Very high	13 Å²	13	69 Å²	69	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.6	176.7	178.3	68.9	0	0	0	108.9	I616 L626 L642 I658	I616-L671 HydrophobicContact CD1-CD2 4.26Å; I616-L671 HydrophobicContact CG2-CD2 4.37Å; L626-L671 CarbonylContact C-O 3.6Å; L626-L671 WeakPolarHBondContact CA-O 3.29Å; L626-L671 HydrophobicContact CB-CB 4Å; L626-L671 HydrophobicContact CB-CD2 4.04Å; L626-L671 HydrophobicContact CB-CG 4.24Å; L626-L671 HydrophobicContact CD1-CD2 4.42Å; L626-L671 PolarHBondContact N-O 3.47Å; L626-L671 PolarHBondContact O-N 3.02Å; L626-L671 VanDerWaalsContact O-O 3.06Å; L642-L671 HydrophobicContact CD1-CD1 3.92Å; L642-L671 HydrophobicContact CD1-CD2 3.46Å; L642-L671 VanDerWaalsContact CD1-CD2 3.46Å; L642-L671 HydrophobicContact CD1-CG 4.36Å; I658-L671 HydrophobicContact CD1-CD1 3.84Å; I658-L671 HydrophobicContact CG2-CD1 3.94Å
672	Q	97.3	Very high	96.5	Very high	98 Å²	98	61.4 Å²	61.4	46%	0.458	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.5	178.7	-177.9	66.2	53.5	0	0	109.9	R623 G624 E625	R623-Q672 PolarHBondContact O-NE2 3.35Å; G624-Q672 VanDerWaalsContact C-NE2 3.33Å; G624-Q672 PolarHBondContact O-NE2 3.42Å; G624-Q672 VanDerWaalsContact O-NE2 3.15Å; E625-Q672 VanDerWaalsContact CG-OE1 3.3Å
673	I	97	Very high	96.7	Very high	4 Å²	4	55 Å²	55	2%	0.021	31%	0.309	C	S	.	.			trans	-106.8	142.2	172.3	-58.4	-60.5	0	0	0	109.4	G624 L626 A644 I658 L675 L685	G624-I673 PolarHBondContact O-N 3.21Å; L626-I673 HydrophobicContact CD1-CB 4.07Å; L626-I673 HydrophobicContact CD1-CD1 4.42Å; L626-I673 HydrophobicContact CD1-CG1 3.26Å; A644-I673 HydrophobicContact CB-CD1 3.85Å; I658-I673 HydrophobicContact CD1-CD1 3.24Å; I658-I673 HydrophobicContact CG1-CD1 4.49Å; I673-L675 HydrophobicContact CG2-CD2 4.15Å; I673-L685 HydrophobicContact CG1-CD2 4.29Å; I673-L685 HydrophobicContact CG2-CD1 4.16Å
674	T	96.1	Very high	96.6	Very high	103 Å²	103	55 Å²	55	63%	0.632	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-86.9	117.7	169.3	-57.9	0	0	0	0	109.4
675	L	96.1	Very high	96.7	Very high	50 Å²	50	52.8 Å²	52.8	26%	0.262	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-93.6	137.4	-179.4	-61.5	175.1	0	0	0	111.2	L621 V646 I673 L711	L621-L675 WeakPolarHBondContact O-CD1 3.4Å; V646-L675 HydrophobicContact CG2-CD2 4.05Å; I673-L675 HydrophobicContact CG2-CD2 4.15Å; L675-L711 HydrophobicContact CD1-CD2 4.41Å; L675-L711 HydrophobicContact CD2-CD1 4.02Å; L675-L711 HydrophobicContact CD2-CD2 4.18Å
676	P	96.2	Very high	96.7	Very high	36 Å²	36	51.7 Å²	51.7	23%	0.234	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-75.9	169.5	172.6	34.1	-34.4	0	0	0	110.9	V646 L653 A654 L678	V646-P676 HydrophobicContact CB-CG 3.95Å; V646-P676 HydrophobicContact CG1-CG 3.72Å; V646-P676 HydrophobicContact CG2-CG 4.27Å; L653-P676 HydrophobicContact CB-CG 4.07Å; A654-P676 HydrophobicContact CB-CB 4.09Å; A654-P676 HydrophobicContact CB-CG 3.8Å; P676-L678 HydrophobicContact CG-CD2 4.2Å; P676-L678 PolarHBondContact O-N 2.78Å
677	Q	94.5	Very high	96.8	Very high	189 Å²	189	47.9 Å²	47.9	88%	0.883	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-66.6	128.6	165.3	-176.5	177.4	-9	0	0	109.4
678	L	95.1	Very high	96.8	Very high	46 Å²	46	48.3 Å²	48.3	24%	0.241	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-94.6	132.6	-179.9	-55.3	178.5	0	0	0	110.9	V646 L653 P676 A683 L711 K712	V646-L678 HydrophobicContact CG1-CD2 3.85Å; L653-L678 HydrophobicContact CD1-CD2 4.09Å; P676-L678 HydrophobicContact CG-CD2 4.2Å; P676-L678 PolarHBondContact O-N 2.78Å; L678-A683 HydrophobicContact CD1-CB 4.27Å; L678-A683 HydrophobicContact CD2-CB 4.02Å; L678-L711 HydrophobicContact CD1-CB 3.86Å; L678-L711 HydrophobicContact CD1-CD1 4.45Å; L678-K712 HydrophobicContact CB-CD 3.97Å; L678-K712 HydrophobicContact CD1-CB 3.81Å; L678-K712 HydrophobicContact CD1-CD 4.46Å
679	D	93.2	Very high	96.9	Very high	70 Å²	70	43.7 Å²	43.7	37%	0.374	24%	0.242	S	C	.	.			trans	-82	-165.8	172	68	37.6	0	0	0	111.8	R681 K712	D679-R681 VanDerWaalsContact C-N 3.28Å; D679-R681 PolarHBondContact O-N 2.8Å; D679-R681 VanDerWaalsContact OD1-CB 3.31Å; D679-R681 WeakPolarHBondContact OD1-CB 3.41Å; D679-R681 WeakPolarHBondContact OD1-CG 3.3Å; D679-R681 PolarHBondContact OD1-N 3Å; D679-R681 IonicContact OD1-NE 3.23Å; D679-R681 PolarHBondContact OD1-NE 3.06Å; D679-R681 VanDerWaalsContact OD1-NE 3.09Å; D679-R681 IonicContact OD2-CZ 3.9Å; D679-R681 VanDerWaalsContact OD2-CZ 3.3Å; D679-R681 IonicContact OD2-NE 2.67Å; D679-R681 PolarHBondContact OD2-NE 2.87Å; D679-R681 VanDerWaalsContact OD2-NE 3.1Å; D679-R681 IonicContact OD2-NH2 3.04Å; D679-R681 PolarHBondContact OD2-NH2 2.57Å; D679-K712 WeakPolarHBondContact O-CD 3.35Å; D679-K712 VanDerWaalsContact O-CE 3.3Å; D679-K712 WeakPolarHBondContact O-CE 3.49Å; D679-K712 PolarHBondContact O-NZ 2.84Å
680	A	95.2	Very high	96.9	Very high	41 Å²	41	43.2 Å²	43.2	34%	0.339	24%	0.236	S	C	.	.	S	Bend	trans	-71.9	-13.9	-173.4	0	0	0	0	0	115.1	N714 T715 A716	A680-N714 PolarHBondContact O-OD1 3.37Å; A680-T715 WeakPolarHBondContact CA-OG1 3.25Å; A680-T715 PolarHBondContact O-N 2.99Å; A680-T715 PolarHBondContact O-OG1 2.74Å; A680-A716 HydrophobicContact CB-CB 4.03Å; A680-A716 PolarHBondContact O-N 2.9Å
681	R	95.4	Very high	96.9	Very high	47 Å²	47	39.3 Å²	39.3	18%	0.177	21%	0.208	C	C	.	.	S	Bend	trans	-71.7	163.2	-177	-65.8	176.2	-70.9	179.3	-8	112.3	A648 E649 E651 D679	A648-R681 HydrophobicContact CB-CB 4.1Å; A648-R681 PolarHBondContact O-NH1 2.85Å; E649-R681 HydrophobicContact CG-CB 4.14Å; E649-R681 HydrophobicContact CG-CG 4.31Å; E649-R681 WeakPolarHBondContact OE2-CD 3.26Å; E651-R681 IonicContact OE2-CZ 3.08Å; E651-R681 IonicContact OE2-NH1 2.93Å; E651-R681 PolarHBondContact OE2-NH1 2.67Å; E651-R681 IonicContact OE2-NH2 2.62Å; E651-R681 PolarHBondContact OE2-NH2 3.22Å; D679-R681 VanDerWaalsContact C-N 3.28Å; D679-R681 PolarHBondContact O-N 2.8Å; D679-R681 VanDerWaalsContact OD1-CB 3.31Å; D679-R681 WeakPolarHBondContact OD1-CB 3.41Å; D679-R681 WeakPolarHBondContact OD1-CG 3.3Å; D679-R681 PolarHBondContact OD1-N 3Å; D679-R681 IonicContact OD1-NE 3.23Å; D679-R681 PolarHBondContact OD1-NE 3.06Å; D679-R681 VanDerWaalsContact OD1-NE 3.09Å; D679-R681 IonicContact OD2-CZ 3.9Å; D679-R681 VanDerWaalsContact OD2-CZ 3.3Å; D679-R681 IonicContact OD2-NE 2.67Å; D679-R681 PolarHBondContact OD2-NE 2.87Å; D679-R681 VanDerWaalsContact OD2-NE 3.1Å; D679-R681 IonicContact OD2-NH2 3.04Å; D679-R681 PolarHBondContact OD2-NH2 2.57Å
682	E	96.8	Very high	97	Very high	25 Å²	25	41.3 Å²	41.3	12%	0.117	22%	0.219	C	C	.	.			trans	-66.4	134.8	165.7	-172.9	178.3	-142	0	0	109.7	A648 F684 K712 N714 Y881 R925	A648-E682 VanDerWaalsContact CA-O 3.26Å; A648-E682 WeakPolarHBondContact CA-O 3.48Å; A648-E682 WeakPolarHBondContact CB-O 3.47Å; E682-F684 VanDerWaalsContact CD-CE2 3.48Å; E682-F684 VanDerWaalsContact CD-CZ 3.48Å; E682-F684 HydrophobicContact CG-CD2 4.42Å; E682-F684 HydrophobicContact CG-CE2 3.61Å; E682-F684 HydrophobicContact CG-CZ 3.88Å; E682-F684 WeakPolarHBondContact OE1-CZ 3.39Å; E682-K712 CarbonylContact C-O 3.6Å; E682-K712 VanDerWaalsContact CA-O 3.29Å; E682-K712 WeakPolarHBondContact CA-O 3.25Å; E682-K712 WeakPolarHBondContact CG-O 3.33Å; E682-N714 HydrophobicContact CB-CB 4.13Å; E682-Y881 WeakPolarHBondContact OE2-CE1 3.24Å; E682-Y881 PolarHBondContact OE2-OH 2.86Å; E682-R925 IonicContact OE1-CZ 3.61Å; E682-R925 IonicContact OE1-NE 2.81Å; E682-R925 PolarHBondContact OE1-NE 3.32Å; E682-R925 IonicContact OE1-NH2 2.82Å; E682-R925 PolarHBondContact OE1-NH2 2.81Å; E682-R925 WeakPolarHBondContact OE2-CD 3.36Å; E682-R925 IonicContact OE2-CZ 3.48Å; E682-R925 IonicContact OE2-NE 3.07Å; E682-R925 PolarHBondContact OE2-NE 3.49Å; E682-R925 IonicContact OE2-NH2 3.63Å; E682-R925 PolarHBondContact OE2-NH2 2.88Å
683	A	97.5	Very high	97	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.8	-176.4	0	0	0	0	0	112	R647 A648 L678 L711 K712	R647-A683 CarbonylContact O-C 3.57Å; R647-A683 VanDerWaalsContact O-CA 3.27Å; R647-A683 WeakPolarHBondContact O-CA 3.39Å; A648-A683 HydrophobicContact CB-CB 4.19Å; L678-A683 HydrophobicContact CD1-CB 4.27Å; L678-A683 HydrophobicContact CD2-CB 4.02Å; A683-L711 HydrophobicContact CB-CB 4.42Å; A683-L711 PolarHBondContact O-N 2.92Å; A683-K712 HydrophobicContact CB-CB 4.28Å; A683-K712 PolarHBondContact N-O 3.28Å; A683-K712 PolarHBondContact O-N 2.84Å
684	F	98	Very high	97	Very high	9 Å²	9	46.7 Å²	46.7	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.3	179.8	-65.2	-82.7	0	0	0	111.1	V646 R647 E682 Q708 F709 P710 I898	V646-F684 CarbonylContact C-O 3.6Å; V646-F684 WeakPolarHBondContact CA-O 3.5Å; R647-F684 PolarHBondContact N-O 3.37Å; R647-F684 PolarHBondContact O-N 2.89Å; E682-F684 VanDerWaalsContact CD-CE2 3.48Å; E682-F684 VanDerWaalsContact CD-CZ 3.48Å; E682-F684 HydrophobicContact CG-CD2 4.42Å; E682-F684 HydrophobicContact CG-CE2 3.61Å; E682-F684 HydrophobicContact CG-CZ 3.88Å; E682-F684 WeakPolarHBondContact OE1-CZ 3.39Å; F684-Q708 HydrophobicContact CB-CG 3.9Å; F684-Q708 HydrophobicContact CD1-CG 3.68Å; F684-Q708 HydrophobicContact CG-CG 4.03Å; F684-F709 CarbonylContact C-O 3.57Å; F684-F709 WeakPolarHBondContact CA-O 3.42Å; F684-P710 HydrophobicContact CD1-CB 4.22Å; F684-P710 HydrophobicContact CE1-CB 3.99Å; F684-I898 HydrophobicContact CE1-CD1 4.22Å; F684-I898 HydrophobicContact CE2-CB 4.15Å; F684-I898 HydrophobicContact CE2-CG2 3.69Å; F684-I898 HydrophobicContact CZ-CB 4.05Å; F684-I898 HydrophobicContact CZ-CD1 4.03Å; F684-I898 HydrophobicContact CZ-CG2 3.84Å
685	L	98.4	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.2	162.5	172.9	61.9	0	0	0	108.2	L621 L626 A644 V646 I673 I687 Q708 F709 L711	L621-L685 HydrophobicContact CD2-CD2 4.45Å; L626-L685 HydrophobicContact CD1-CD2 3.83Å; L626-L685 HydrophobicContact CD2-CD2 4.35Å; A644-L685 HydrophobicContact CB-CD1 4.18Å; V646-L685 HydrophobicContact CG2-CD1 4.08Å; I673-L685 HydrophobicContact CG1-CD2 4.29Å; I673-L685 HydrophobicContact CG2-CD1 4.16Å; L685-I687 HydrophobicContact CD1-CG1 4.21Å; L685-I687 HydrophobicContact CD2-CD1 4.07Å; L685-I687 HydrophobicContact CD2-CG1 4.5Å; L685-I687 HydrophobicContact CG-CD1 4.19Å; L685-I687 HydrophobicContact CG-CG1 4.08Å; L685-Q708 CarbonylContact O-C 3.57Å; L685-Q708 VanDerWaalsContact O-CA 3.31Å; L685-Q708 WeakPolarHBondContact O-CA 3.39Å; L685-F709 HydrophobicContact CB-CB 4.4Å; L685-F709 HydrophobicContact CD2-CD2 4.36Å; L685-F709 HydrophobicContact CG-CD2 4.48Å; L685-F709 PolarHBondContact N-O 3.07Å; L685-F709 PolarHBondContact O-N 2.61Å; L685-L711 HydrophobicContact CB-CD1 3.97Å; L685-L711 HydrophobicContact CB-CD2 4.03Å; L685-L711 HydrophobicContact CB-CG 3.97Å
686	N	98.3	Very high	97.1	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.043	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.8	173.2	-59.7	-18.4	0	0	0	108.8	A644 E645 R647 Y707 Q708	A644-N686 CarbonylContact C-O 3.59Å; A644-N686 VanDerWaalsContact CA-O 3.28Å; A644-N686 WeakPolarHBondContact CA-O 3.32Å; E645-N686 PolarHBondContact N-O 2.56Å; E645-N686 PolarHBondContact O-N 3.01Å; R647-N686 WeakPolarHBondContact CD-ND2 3.45Å; N686-Y707 CarbonylContact C-O 3.52Å; N686-Y707 WeakPolarHBondContact CA-O 3.3Å; N686-Q708 VanDerWaalsContact OD1-CG 3.32Å; N686-Q708 WeakPolarHBondContact OD1-CG 3.12Å; N686-Q708 PolarHBondContact OD1-NE2 3.36Å
687	I	98.5	Very high	97.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	115	176.8	-60.8	174.9	0	0	0	108.6	I616 L626 L642 H643 A644 L685 T706 Y707 F709	I616-I687 HydrophobicContact CG1-CG2 4.33Å; I616-I687 HydrophobicContact CG2-CD1 3.85Å; L626-I687 HydrophobicContact CD1-CD1 4.31Å; L626-I687 HydrophobicContact CD2-CD1 4.36Å; L642-I687 HydrophobicContact CB-CG2 4.1Å; L642-I687 HydrophobicContact CD1-CG2 4.48Å; L642-I687 HydrophobicContact CD2-CG2 4.21Å; H643-I687 WeakPolarHBondContact O-CA 3.33Å; A644-I687 HydrophobicContact CB-CG1 4.06Å; L685-I687 HydrophobicContact CD1-CG1 4.21Å; L685-I687 HydrophobicContact CD2-CD1 4.07Å; L685-I687 HydrophobicContact CD2-CG1 4.5Å; L685-I687 HydrophobicContact CG-CD1 4.19Å; L685-I687 HydrophobicContact CG-CG1 4.08Å; I687-T706 CarbonylContact O-C 3.57Å; I687-T706 VanDerWaalsContact O-CA 3.32Å; I687-T706 WeakPolarHBondContact O-CA 3.21Å; I687-Y707 PolarHBondContact N-O 2.83Å; I687-Y707 PolarHBondContact O-N 2.97Å; I687-F709 HydrophobicContact CD1-CE2 4.19Å
688	T	98.6	Very high	97.3	Very high	45 Å²	45	40.7 Å²	40.7	28%	0.276	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.9	170.7	-60.7	0	0	0	0	109.8	H643 T690 A705	H643-T688 PolarHBondContact N-O 3.01Å; H643-T688 PolarHBondContact O-N 2.98Å; T688-T690 HydrophobicContact CG2-CG2 4.39Å; T688-A705 CarbonylContact C-O 3.49Å; T688-A705 WeakPolarHBondContact CA-O 3.48Å
689	V	98.8	Very high	97.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130	173.9	-170.8	0	0	0	0	108.8	V614 Y640 L642 I704 A705 Y707	V614-V689 HydrophobicContact CB-CG1 3.88Å; V614-V689 HydrophobicContact CB-CG2 4.35Å; V614-V689 HydrophobicContact CG1-CG1 3.96Å; V614-V689 HydrophobicContact CG1-CG2 4.17Å; V614-V689 HydrophobicContact CG2-CG1 4.07Å; Y640-V689 HydrophobicContact CD1-CG1 4.1Å; L642-V689 HydrophobicContact CD2-CB 4.24Å; L642-V689 HydrophobicContact CD2-CG1 4.1Å; L642-V689 HydrophobicContact CD2-CG2 3.67Å; V689-I704 HydrophobicContact CB-CB 4.23Å; V689-I704 HydrophobicContact CG1-CB 4.22Å; V689-I704 PolarHBondContact O-N 3.23Å; V689-A705 HydrophobicContact CB-CB 4.31Å; V689-A705 HydrophobicContact CG2-CB 4.1Å; V689-A705 PolarHBondContact N-O 2.54Å; V689-Y707 HydrophobicContact CG2-CD2 4.35Å; V689-Y707 HydrophobicContact CG2-CE2 3.96Å
690	T	98.8	Very high	97.7	Very high	13 Å²	13	44 Å²	44	8%	0.08	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.8	172.5	59.4	0	0	0	0	111.3	Y640 T641 H643 T688 H702	Y640-T690 VanDerWaalsContact CA-O 3.31Å; Y640-T690 WeakPolarHBondContact CA-O 3.26Å; T641-T690 PolarHBondContact N-O 3.02Å; T641-T690 PolarHBondContact O-N 2.82Å; T641-T690 PolarHBondContact O-OG1 2.83Å; H643-T690 PolarHBondContact NE2-OG1 3.12Å; T688-T690 HydrophobicContact CG2-CG2 4.39Å; T690-H702 CarbonylContact C-O 3.5Å; T690-H702 VanDerWaalsContact CA-O 3.29Å; T690-H702 WeakPolarHBondContact CA-O 3.48Å
691	K	98.3	Very high	97.8	Very high	28 Å²	28	43.8 Å²	43.8	12%	0.122	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.4	165.6	-176.4	170.9	-173.4	161.2	0	109.3	D639 Y640 T695 G701 H702 I704	D639-K691 WeakPolarHBondContact OD2-CE 3.47Å; D639-K691 WeakPolarHBondContact OD2-CG 3.24Å; Y640-K691 HydrophobicContact CD1-CB 4.28Å; Y640-K691 HydrophobicContact CE1-CB 4.08Å; Y640-K691 HydrophobicContact CE1-CG 4.36Å; K691-T695 HydrophobicContact CD-CG2 4.28Å; K691-G701 CarbonylContact O-C 3.51Å; K691-G701 WeakPolarHBondContact O-CA 3.48Å; K691-G701 PolarHBondContact O-N 2.92Å; K691-H702 PolarHBondContact N-O 3.38Å; K691-H702 PolarHBondContact O-N 2.87Å; K691-H702 VanDerWaalsContact O-N 3.15Å; K691-I704 HydrophobicContact CB-CD1 3.96Å; K691-I704 HydrophobicContact CB-CG1 4Å
692	D	98.4	Very high	97.9	Very high	54 Å²	54	43 Å²	43	29%	0.289	22%	0.219	S	C	.	.			trans	-76.8	-45.7	-170.5	-66.8	-2.8	0	0	0	111.6	D639 T641 K659 A700 G701	D639-D692 PolarHBondContact O-N 3.26Å; T641-D692 VanDerWaalsContact CB-OD1 3.31Å; T641-D692 WeakPolarHBondContact CB-OD1 3.27Å; T641-D692 VanDerWaalsContact OG1-CG 3.29Å; T641-D692 PolarHBondContact OG1-OD1 3.16Å; T641-D692 PolarHBondContact OG1-OD2 3.31Å; K659-D692 IonicContact NZ-OD2 2.99Å; K659-D692 PolarHBondContact NZ-OD2 3.13Å; D692-A700 WeakPolarHBondContact O-CA 3.38Å; D692-A700 WeakPolarHBondContact O-CB 3.27Å; D692-G701 PolarHBondContact O-N 3.48Å
693	S	97.4	Very high	98	Very high	46 Å²	46	45 Å²	45	32%	0.322	23%	0.234	S	C	.	.	S	Bend	trans	-70.2	148.2	-177.6	72	0	0	0	0	113.4	D639	D639-S693 VanDerWaalsContact OD1-CB 3.22Å; D639-S693 WeakPolarHBondContact OD1-CB 3.24Å; D639-S693 PolarHBondContact OD1-N 3.09Å; D639-S693 PolarHBondContact OD1-OG 2.88Å; D639-S693 WeakPolarHBondContact OD2-CB 3.19Å; D639-S693 PolarHBondContact OD2-OG 3.47Å
694	R	97.9	Very high	98.1	Very high	170 Å²	170	45.4 Å²	45.4	64%	0.642	24%	0.236	S	C	*	.			trans	-73.8	138.7	165.1	-175.6	178.2	-166.1	-146.1	-0.7	109.4	E699 A700	R694-E699 IonicContact CZ-OE1 2.97Å; R694-E699 IonicContact CZ-OE2 3.14Å; R694-E699 IonicContact NE-OE1 2.84Å; R694-E699 PolarHBondContact NE-OE1 3.24Å; R694-E699 IonicContact NE-OE2 3.29Å; R694-E699 PolarHBondContact NE-OE2 2.54Å; R694-E699 IonicContact NH2-OE1 3Å; R694-E699 PolarHBondContact NH2-OE1 2.67Å; R694-A700 HydrophobicContact CB-CB 4.35Å
695	T	96.8	Very high	98.1	Very high	30 Å²	30	45.1 Å²	45.1	18%	0.184	24%	0.235	C	C	.	.			trans	-118.2	-178.9	174.2	77.3	0	0	0	0	110.5	K691 Y697 S698	K691-T695 HydrophobicContact CD-CG2 4.28Å; T695-Y697 HydrophobicContact CG2-CE1 4.37Å; T695-Y697 HydrophobicContact CG2-CE2 4.03Å; T695-Y697 PolarHBondContact O-N 3.46Å; T695-Y697 WeakPolarHBondContact OG1-CD1 3.38Å; T695-Y697 WeakPolarHBondContact OG1-CD2 3.33Å; T695-Y697 WeakPolarHBondContact OG1-CE2 3.46Å; T695-Y697 VanDerWaalsContact OG1-CG 3.26Å; T695-Y697 PolarHBondContact OG1-N 3.36Å; T695-Y697 VanDerWaalsContact OG1-N 3.09Å; T695-S698 PolarHBondContact N-O 2.9Å; T695-S698 PolarHBondContact OG1-N 2.78Å; T695-S698 PolarHBondContact OG1-OG 3.22Å
696	R	96	Very high	98.1	Very high	179 Å²	179	47 Å²	47	68%	0.675	25%	0.247	S	C	*	.	S	Bend	trans	-63.9	-26.3	171	-66.3	-179.2	-178.2	-80.2	-1.7	112.9	Y402	Y402-R696 HydrophobicContact CD1-CB 4.27Å; Y402-R696 HydrophobicContact CE1-CB 3.81Å
697	Y	97.6	Very high	98.1	Very high	36 Å²	36	48 Å²	48	14%	0.141	25%	0.25	C	C	.	.	S	Bend	trans	-111.1	-9.5	-172.2	50.8	-98.6	0	0	0	113.3	K377 Q378 Y402 T695	K377-Y697 HydrophobicContact CB-CD1 3.59Å; K377-Y697 HydrophobicContact CB-CD2 3.5Å; K377-Y697 VanDerWaalsContact CB-CD2 3.5Å; K377-Y697 HydrophobicContact CB-CE1 3.75Å; K377-Y697 HydrophobicContact CB-CE2 3.69Å; K377-Y697 HydrophobicContact CB-CG 3.45Å; K377-Y697 VanDerWaalsContact CB-CG 3.45Å; K377-Y697 HydrophobicContact CD-CE1 4.39Å; K377-Y697 HydrophobicContact CG-CD1 3.8Å; K377-Y697 HydrophobicContact CG-CE1 3.9Å; K377-Y697 HydrophobicContact CG-CG 4.15Å; Q378-Y697 HydrophobicContact CG-CD2 4.38Å; Q378-Y697 WeakPolarHBondContact CG-O 3.46Å; Q378-Y697 PolarHBondContact NE2-O 3.46Å; Y402-Y697 AromaticContact CD1-CD1 4Å; Y402-Y697 HydrophobicContact CD1-CD1 4Å; T695-Y697 HydrophobicContact CG2-CE1 4.37Å; T695-Y697 HydrophobicContact CG2-CE2 4.03Å; T695-Y697 PolarHBondContact O-N 3.46Å; T695-Y697 WeakPolarHBondContact OG1-CD1 3.38Å; T695-Y697 WeakPolarHBondContact OG1-CD2 3.33Å; T695-Y697 WeakPolarHBondContact OG1-CE2 3.46Å; T695-Y697 VanDerWaalsContact OG1-CG 3.26Å; T695-Y697 PolarHBondContact OG1-N 3.36Å; T695-Y697 VanDerWaalsContact OG1-N 3.09Å
698	S	97.8	Very high	98.1	Very high	7 Å²	7	49.7 Å²	49.7	5%	0.049	26%	0.258	C	S	.	.	S	Bend	trans	-149	147.9	-177.5	64.5	0	0	0	0	112.6	T695	T695-S698 PolarHBondContact N-O 2.9Å; T695-S698 PolarHBondContact OG1-N 2.78Å; T695-S698 PolarHBondContact OG1-OG 3.22Å
699	E	98.1	Very high	98	Very high	121 Å²	121	48.9 Å²	48.9	57%	0.565	25%	0.251	S	S	*	.			trans	-68.9	162.7	170.5	-66.7	-56.7	142.3	0	0	111.7	R694 H702	R694-E699 IonicContact CZ-OE1 2.97Å; R694-E699 IonicContact CZ-OE2 3.14Å; R694-E699 IonicContact NE-OE1 2.84Å; R694-E699 PolarHBondContact NE-OE1 3.24Å; R694-E699 IonicContact NE-OE2 3.29Å; R694-E699 PolarHBondContact NE-OE2 2.54Å; R694-E699 IonicContact NH2-OE1 3Å; R694-E699 PolarHBondContact NH2-OE1 2.67Å; E699-H702 PolarHBondContact O-N 3.29Å
700	A	98.3	Very high	97.9	Very high	65 Å²	65	53.1 Å²	53.1	54%	0.537	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	139.7	173.1	0	0	0	0	0	110.8	D692 R694	D692-A700 WeakPolarHBondContact O-CA 3.38Å; D692-A700 WeakPolarHBondContact O-CB 3.27Å; R694-A700 HydrophobicContact CB-CB 4.35Å
701	G	98.2	Very high	97.8	Very high	35 Å²	35	54.2 Å²	54.2	36%	0.361	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	19.7	-176.6	0	0	0	0	0	114.6	K691 D692	K691-G701 CarbonylContact O-C 3.51Å; K691-G701 WeakPolarHBondContact O-CA 3.48Å; K691-G701 PolarHBondContact O-N 2.92Å; D692-G701 PolarHBondContact O-N 3.48Å
702	H	98.4	Very high	97.7	Very high	32 Å²	32	56 Å²	56	15%	0.148	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	128.3	-178.9	-177.8	67.5	0	0	0	112.3	Q378 T690 K691 E699 I704	Q378-H702 PolarHBondContact O-NE2 2.81Å; T690-H702 CarbonylContact C-O 3.5Å; T690-H702 VanDerWaalsContact CA-O 3.29Å; T690-H702 WeakPolarHBondContact CA-O 3.48Å; K691-H702 PolarHBondContact N-O 3.38Å; K691-H702 PolarHBondContact O-N 2.87Å; K691-H702 VanDerWaalsContact O-N 3.15Å; E699-H702 PolarHBondContact O-N 3.29Å; H702-I704 PolarHBondContact O-N 2.97Å
703	P	98.1	Very high	97.5	Very high	67 Å²	67	61.1 Å²	61.1	44%	0.435	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.7	176.4	-21.2	33.1	0	0	0	112.7	K608	K608-P703 WeakPolarHBondContact CE-O 3.42Å; K608-P703 PolarHBondContact NZ-O 3.25Å
704	I	98.6	Very high	97.3	Very high	8 Å²	8	62.9 Å²	62.9	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-46.7	-176.7	-61.2	-65	0	0	0	111.4	N380 K608 P613 Y640 V689 K691 H702	N380-I704 PolarHBondContact ND2-O 2.96Å; K608-I704 WeakPolarHBondContact CE-O 3.38Å; P613-I704 HydrophobicContact CG-CG2 4.03Å; Y640-I704 HydrophobicContact CD1-CG1 4.21Å; Y640-I704 HydrophobicContact CE1-CD1 4.3Å; Y640-I704 HydrophobicContact CE1-CG1 3.94Å; V689-I704 HydrophobicContact CB-CB 4.23Å; V689-I704 HydrophobicContact CG1-CB 4.22Å; V689-I704 PolarHBondContact O-N 3.23Å; K691-I704 HydrophobicContact CB-CD1 3.96Å; K691-I704 HydrophobicContact CB-CG1 4Å; H702-I704 PolarHBondContact O-N 2.97Å
705	A	98.5	Very high	97.1	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.033	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	159.2	-175.7	0	0	0	0	0	111.2	A612 T688 V689 Y707	A612-A705 HydrophobicContact CB-CB 3.53Å; T688-A705 CarbonylContact C-O 3.49Å; T688-A705 WeakPolarHBondContact CA-O 3.48Å; V689-A705 HydrophobicContact CB-CB 4.31Å; V689-A705 HydrophobicContact CG2-CB 4.1Å; V689-A705 PolarHBondContact N-O 2.54Å; A705-Y707 HydrophobicContact CB-CE2 3.7Å
706	T	98.3	Very high	96.7	Very high	39 Å²	39	59.7 Å²	59.7	24%	0.239	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.7	168.9	-61	0	0	0	0	110.4	Q609 I687 I897	Q609-T706 VanDerWaalsContact CD-O 3.23Å; Q609-T706 PolarHBondContact NE2-O 3.31Å; Q609-T706 PolarHBondContact OE1-O 2.67Å; I687-T706 CarbonylContact O-C 3.57Å; I687-T706 VanDerWaalsContact O-CA 3.32Å; I687-T706 WeakPolarHBondContact O-CA 3.21Å; T706-I897 HydrophobicContact CG2-CG2 3.75Å
707	Y	98.3	Very high	96.1	Very high	28 Å²	28	59.2 Å²	59.2	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.8	176.4	-59	-80.3	0	0	0	109.7	V614 K615 I616 N686 I687 V689 A705	V614-Y707 WeakPolarHBondContact O-CE2 3.38Å; V614-Y707 PolarHBondContact O-OH 3.25Å; K615-Y707 WeakPolarHBondContact CA-OH 3.41Å; K615-Y707 WeakPolarHBondContact CD-OH 3.45Å; I616-Y707 HydrophobicContact CB-CD2 3.73Å; I616-Y707 HydrophobicContact CB-CE2 4.11Å; I616-Y707 HydrophobicContact CB-CG 3.98Å; I616-Y707 HydrophobicContact CG1-CD2 3.53Å; I616-Y707 HydrophobicContact CG1-CE2 3.71Å; I616-Y707 HydrophobicContact CG1-CG 4.3Å; N686-Y707 CarbonylContact C-O 3.52Å; N686-Y707 WeakPolarHBondContact CA-O 3.3Å; I687-Y707 PolarHBondContact N-O 2.83Å; I687-Y707 PolarHBondContact O-N 2.97Å; V689-Y707 HydrophobicContact CG2-CD2 4.35Å; V689-Y707 HydrophobicContact CG2-CE2 3.96Å; A705-Y707 HydrophobicContact CB-CE2 3.7Å
708	Q	98.1	Very high	95.2	Very high	37 Å²	37	62.9 Å²	62.9	17%	0.173	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.3	174.8	178.6	174.7	75.2	0	0	110.5	F684 L685 N686 I897 I898	F684-Q708 HydrophobicContact CB-CG 3.9Å; F684-Q708 HydrophobicContact CD1-CG 3.68Å; F684-Q708 HydrophobicContact CG-CG 4.03Å; L685-Q708 CarbonylContact O-C 3.57Å; L685-Q708 VanDerWaalsContact O-CA 3.31Å; L685-Q708 WeakPolarHBondContact O-CA 3.39Å; N686-Q708 VanDerWaalsContact OD1-CG 3.32Å; N686-Q708 WeakPolarHBondContact OD1-CG 3.12Å; N686-Q708 PolarHBondContact OD1-NE2 3.36Å; Q708-I897 HydrophobicContact CB-CB 4.16Å; Q708-I897 HydrophobicContact CB-CG2 3.82Å; Q708-I898 PolarHBondContact NE2-O 2.85Å
709	F	98.1	Very high	94.3	Very high	28 Å²	28	69 Å²	69	12%	0.123	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.3	177.4	-55.6	-80.9	0	0	0	110.7	I616 A618 L621 L626 F684 L685 I687 L711	I616-F709 HydrophobicContact CB-CZ 4.4Å; I616-F709 HydrophobicContact CG2-CE2 3.94Å; I616-F709 HydrophobicContact CG2-CZ 4.02Å; I616-F709 WeakPolarHBondContact O-CZ 3.36Å; A618-F709 HydrophobicContact CB-CD1 3.88Å; A618-F709 HydrophobicContact CB-CE1 4.01Å; L621-F709 HydrophobicContact CD1-CB 3.79Å; L621-F709 HydrophobicContact CD1-CG 4.47Å; L621-F709 HydrophobicContact CD2-CB 3.85Å; L621-F709 HydrophobicContact CD2-CG 4.13Å; L621-F709 HydrophobicContact CG-CB 4.5Å; L626-F709 HydrophobicContact CD2-CD2 4.06Å; L626-F709 HydrophobicContact CD2-CE2 3.82Å; L626-F709 HydrophobicContact CD2-CZ 4.17Å; F684-F709 CarbonylContact C-O 3.57Å; F684-F709 WeakPolarHBondContact CA-O 3.42Å; L685-F709 HydrophobicContact CB-CB 4.4Å; L685-F709 HydrophobicContact CD2-CD2 4.36Å; L685-F709 HydrophobicContact CG-CD2 4.48Å; L685-F709 PolarHBondContact N-O 3.07Å; L685-F709 PolarHBondContact O-N 2.61Å; I687-F709 HydrophobicContact CD1-CE2 4.19Å; F709-L711 PolarHBondContact O-N 3.16Å
710	P	96.6	Very high	93.2	Very high	89 Å²	89	68.5 Å²	68.5	58%	0.578	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.9	174.1	28.8	-33.1	0	0	0	110.1	F684	F684-P710 HydrophobicContact CD1-CB 4.22Å; F684-P710 HydrophobicContact CE1-CB 3.99Å
711	L	97.2	Very high	92.2	Very high	35 Å²	35	71.4 Å²	71.4	18%	0.183	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-37.5	176	-65.8	178.5	0	0	0	112.3	L621 V646 L675 L678 A683 L685 F709	L621-L711 HydrophobicContact CB-CD2 4.25Å; L621-L711 HydrophobicContact CD2-CD2 4.4Å; V646-L711 HydrophobicContact CB-CD1 4.48Å; V646-L711 HydrophobicContact CG1-CD1 3.72Å; V646-L711 HydrophobicContact CG2-CD1 4.05Å; L675-L711 HydrophobicContact CD1-CD2 4.41Å; L675-L711 HydrophobicContact CD2-CD1 4.02Å; L675-L711 HydrophobicContact CD2-CD2 4.18Å; L678-L711 HydrophobicContact CD1-CB 3.86Å; L678-L711 HydrophobicContact CD1-CD1 4.45Å; A683-L711 HydrophobicContact CB-CB 4.42Å; A683-L711 PolarHBondContact O-N 2.92Å; L685-L711 HydrophobicContact CB-CD1 3.97Å; L685-L711 HydrophobicContact CB-CD2 4.03Å; L685-L711 HydrophobicContact CB-CG 3.97Å; F709-L711 PolarHBondContact O-N 3.16Å
712	K	95.4	Very high	91.2	Very high	67 Å²	67	73.5 Å²	73.5	29%	0.291	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	137.9	-176.3	-175.8	178	175.4	175.9	0	111	L678 D679 E682 A683 T715	L678-K712 HydrophobicContact CB-CD 3.97Å; L678-K712 HydrophobicContact CD1-CB 3.81Å; L678-K712 HydrophobicContact CD1-CD 4.46Å; D679-K712 WeakPolarHBondContact O-CD 3.35Å; D679-K712 VanDerWaalsContact O-CE 3.3Å; D679-K712 WeakPolarHBondContact O-CE 3.49Å; D679-K712 PolarHBondContact O-NZ 2.84Å; E682-K712 CarbonylContact C-O 3.6Å; E682-K712 VanDerWaalsContact CA-O 3.29Å; E682-K712 WeakPolarHBondContact CA-O 3.25Å; E682-K712 WeakPolarHBondContact CG-O 3.33Å; A683-K712 HydrophobicContact CB-CB 4.28Å; A683-K712 PolarHBondContact N-O 3.28Å; A683-K712 PolarHBondContact O-N 2.84Å; K712-T715 WeakPolarHBondContact CE-OG1 3.48Å
713	E	94.3	Very high	90.2	Very high	160 Å²	160	74 Å²	74	75%	0.748	42%	0.422	S	S	*	.			trans	-78.2	156.3	170.8	-63.9	-178.4	172.2	0	0	112	T715	E713-T715 PolarHBondContact O-N 3.23Å
714	N	93	Very high	89.3	Confident	83 Å²	83	78.6 Å²	78.6	44%	0.444	44%	0.443	S	S	.	.			trans	-64.3	123.6	174.7	-162.3	-22	0	0	0	111.1	E649 A680 E682 A716	E649-N714 PolarHBondContact OE1-ND2 3.22Å; E649-N714 VanDerWaalsContact OE1-ND2 3.14Å; A680-N714 PolarHBondContact O-OD1 3.37Å; E682-N714 HydrophobicContact CB-CB 4.13Å; N714-A716 VanDerWaalsContact OD1-CB 3.26Å; N714-A716 WeakPolarHBondContact OD1-CB 3.45Å; N714-A716 PolarHBondContact OD1-N 2.82Å
715	T	93.8	Very high	88.6	Confident	84 Å²	84	82.9 Å²	82.9	52%	0.515	47%	0.466	S	S	.	.			trans	-119.7	3.6	177.6	52.7	0	0	0	0	112.4	A680 K712 E713	A680-T715 WeakPolarHBondContact CA-OG1 3.25Å; A680-T715 PolarHBondContact O-N 2.99Å; A680-T715 PolarHBondContact O-OG1 2.74Å; K712-T715 WeakPolarHBondContact CE-OG1 3.48Å; E713-T715 PolarHBondContact O-N 3.23Å
716	A	88	Confident	87.9	Confident	49 Å²	49	85 Å²	85	41%	0.405	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-65.6	137.9	177.1	0	0	0	0	0	110.2	A680 N714	A680-A716 HydrophobicContact CB-CB 4.03Å; A680-A716 PolarHBondContact O-N 2.9Å; N714-A716 VanDerWaalsContact OD1-CB 3.26Å; N714-A716 WeakPolarHBondContact OD1-CB 3.45Å; N714-A716 PolarHBondContact OD1-N 2.82Å
717	Q	83.3	Confident	87.3	Confident	170 Å²	170	90.6 Å²	90.6	79%	0.794	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-73.4	128.8	170.7	-70.8	-65.7	-42.2	0	0	108.6	V719	Q717-V719 PolarHBondContact O-N 2.84Å
718	P	79.1	Confident	86.9	Confident	112 Å²	112	94.7 Å²	94.7	73%	0.727	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-55.2	129.1	174.1	-22.4	31.8	0	0	0	109.8	P720	P718-P720 WeakPolarHBondContact O-CD 3.3Å
719	V	78.3	Confident	86.6	Confident	135 Å²	135	93.5 Å²	93.5	82%	0.818	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-75.1	121.3	173.6	-178.9	0	0	0	0	107.6	Q717 F721	Q717-V719 PolarHBondContact O-N 2.84Å; V719-F721 PolarHBondContact O-N 2.95Å
720	P	75.8	Confident	86.4	Confident	112 Å²	112	95.9 Å²	95.9	73%	0.727	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-60	124.9	176.4	-21.9	33.2	0	0	0	110	P718 A722	P718-P720 WeakPolarHBondContact O-CD 3.3Å; P720-A722 PolarHBondContact O-N 2.91Å
721	F	77.4	Confident	86.3	Confident	125 Å²	125	94.1 Å²	94.1	55%	0.548	53%	0.527	S	S	.	.			trans	-73.4	113.5	169.5	179.4	-104.2	0	0	0	108.4	V719 P723 D843 Q845	V719-F721 PolarHBondContact O-N 2.95Å; F721-P723 HydrophobicContact CD1-CG 4.23Å; F721-P723 HydrophobicContact CE1-CB 4.25Å; F721-P723 HydrophobicContact CE1-CG 3.69Å; F721-P723 HydrophobicContact CZ-CB 4.24Å; F721-P723 HydrophobicContact CZ-CG 4.19Å; F721-D843 HydrophobicContact CD1-CB 4.31Å; F721-D843 WeakPolarHBondContact CE1-O 3.48Å; F721-Q845 HydrophobicContact CD1-CG 4.16Å
722	A	77.5	Confident	86.2	Confident	80 Å²	80	96.6 Å²	96.6	66%	0.661	54%	0.538	S	S	*	.			trans	-130	85.1	-178.4	0	0	0	0	0	109.8	P720 N724	P720-A722 PolarHBondContact O-N 2.91Å; A722-N724 PolarHBondContact O-N 3.3Å
723	P	76.7	Confident	86.2	Confident	42 Å²	42	97.6 Å²	97.6	27%	0.273	55%	0.546	S	S	.	.			trans	-71.2	126.8	178.2	27	-29.2	0	0	0	110.1	F721 N725 A726 D843	F721-P723 HydrophobicContact CD1-CG 4.23Å; F721-P723 HydrophobicContact CE1-CB 4.25Å; F721-P723 HydrophobicContact CE1-CG 3.69Å; F721-P723 HydrophobicContact CZ-CB 4.24Å; F721-P723 HydrophobicContact CZ-CG 4.19Å; P723-N725 PolarHBondContact O-N 3.3Å; P723-A726 HydrophobicContact CG-CB 4.34Å; P723-A726 WeakPolarHBondContact O-CB 3.31Å; P723-A726 PolarHBondContact O-N 2.96Å; P723-A726 VanDerWaalsContact O-N 3.13Å; P723-D843 VanDerWaalsContact CD-CB 3.43Å; P723-D843 HydrophobicContact CG-CB 3.59Å; P723-D843 WeakPolarHBondContact CG-O 3.23Å
724	N	79.7	Confident	86.2	Confident	164 Å²	164	94.2 Å²	94.2	88%	0.877	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.1	-179.5	-69.3	-30.5	0	0	0	114.2	A722	A722-N724 PolarHBondContact O-N 3.3Å
725	N	83.5	Confident	86.2	Confident	97 Å²	97	100.3 Å²	100.3	52%	0.519	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99	5.3	-177.2	-61.9	-33.8	0	0	0	113.4	P723 R727 Y743	P723-N725 PolarHBondContact O-N 3.3Å; N725-R727 PolarHBondContact O-N 2.92Å; N725-Y743 HydrophobicContact CB-CD1 3.54Å; N725-Y743 HydrophobicContact CB-CD2 4.44Å; N725-Y743 HydrophobicContact CB-CE1 3.38Å; N725-Y743 HydrophobicContact CB-CE2 4.31Å; N725-Y743 HydrophobicContact CB-CG 4.07Å; N725-Y743 WeakPolarHBondContact O-CB 3.37Å
726	A	83.2	Confident	86.4	Confident	48 Å²	48	100.2 Å²	100.2	40%	0.397	55%	0.546	S	S	.	.			trans	-52.8	134.3	177.2	0	0	0	0	0	110.9	P723 A842	P723-A726 HydrophobicContact CG-CB 4.34Å; P723-A726 WeakPolarHBondContact O-CB 3.31Å; P723-A726 PolarHBondContact O-N 2.96Å; P723-A726 VanDerWaalsContact O-N 3.13Å; A726-A842 WeakPolarHBondContact CB-O 3.33Å
727	R	85.6	Confident	86.8	Confident	158 Å²	158	99.4 Å²	99.4	60%	0.596	54%	0.537	S	S	*	.			trans	-121.8	150.7	176	-67.9	-172.7	-176.7	-173.1	1.6	109.1	N725 L729 Y743	N725-R727 PolarHBondContact O-N 2.92Å; R727-L729 PolarHBondContact O-N 3.3Å; R727-Y743 HydrophobicContact CG-CD2 4.2Å
728	P	89.6	Confident	87.5	Confident	113 Å²	113	91.3 Å²	91.3	73%	0.734	50%	0.5	S	S	*	.			trans	-50.6	136.2	172.7	-26	34.4	0	0	0	111.1
729	L	93.5	Very high	88.4	Confident	12 Å²	12	86.3 Å²	86.3	6%	0.063	47%	0.467	C	S	.	.			trans	-65.8	138.1	178.9	-63.4	175.7	0	0	0	110.2	R727 V740 R741 F745 Q810 V815 I840 A842	R727-L729 PolarHBondContact O-N 3.3Å; L729-V740 HydrophobicContact CB-CG1 4.26Å; L729-V740 HydrophobicContact CD1-CG1 4.08Å; L729-V740 HydrophobicContact CD2-CG1 4.13Å; L729-V740 HydrophobicContact CG-CG1 4.39Å; L729-R741 WeakPolarHBondContact CA-O 3.3Å; L729-F745 HydrophobicContact CD2-CE2 4.23Å; L729-F745 HydrophobicContact CD2-CZ 3.69Å; L729-Q810 PolarHBondContact O-NE2 3.38Å; L729-V815 HydrophobicContact CB-CG2 4.28Å; L729-V815 HydrophobicContact CD1-CB 4.35Å; L729-V815 HydrophobicContact CD1-CG2 3.91Å; L729-I840 HydrophobicContact CD1-CG2 4.28Å; L729-I840 VanDerWaalsContact CD1-O 3.22Å; L729-I840 WeakPolarHBondContact CD1-O 3.39Å; L729-A842 HydrophobicContact CG-CB 4.2Å
730	T	93.7	Very high	89.3	Confident	78 Å²	78	79.9 Å²	79.9	48%	0.479	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135	170.3	52.8	0	0	0	0	109.2	V740 R741	T730-V740 WeakPolarHBondContact O-CA 3.42Å; T730-R741 PolarHBondContact N-O 2.92Å; T730-R741 PolarHBondContact O-N 3.06Å; T730-R741 WeakPolarHBondContact OG1-CB 3.34Å; T730-R741 PolarHBondContact OG1-O 3.11Å
731	L	94.7	Very high	90.2	Very high	53 Å²	53	78.5 Å²	78.5	28%	0.277	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.4	-178.8	-171.8	70.7	0	0	0	108.8	D733 C738 V740 V808 V815	L731-D733 HydrophobicContact CG-CB 4.48Å; L731-C738 WeakPolarHBondContact CD1-SG 3.47Å; L731-V740 HydrophobicContact CD1-CG2 3.8Å; L731-V808 HydrophobicContact CD1-CG1 4.15Å; L731-V808 HydrophobicContact CD2-CG1 3.82Å; L731-V815 HydrophobicContact CD1-CG1 4.18Å
732	E	95.3	Very high	90.9	Very high	87 Å²	87	73.5 Å²	73.5	41%	0.407	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	98.6	169.1	-74.2	175.7	-155.9	0	0	108.1	C738 T739 R741	E732-C738 CarbonylContact O-C 3.57Å; E732-C738 WeakPolarHBondContact O-CA 3.29Å; E732-T739 PolarHBondContact N-O 2.76Å; E732-T739 PolarHBondContact O-N 2.71Å; E732-R741 VanDerWaalsContact CD-CZ 3.41Å; E732-R741 IonicContact OE1-CZ 2.91Å; E732-R741 VanDerWaalsContact OE1-CZ 3.31Å; E732-R741 IonicContact OE1-NE 3.28Å; E732-R741 IonicContact OE1-NH1 3.49Å; E732-R741 PolarHBondContact OE1-NH1 3.33Å; E732-R741 IonicContact OE1-NH2 3.18Å; E732-R741 IonicContact OE2-CZ 3.31Å; E732-R741 IonicContact OE2-NH1 3.69Å; E732-R741 PolarHBondContact OE2-NH1 2.92Å; E732-R741 IonicContact OE2-NH2 3.62Å; E732-R741 PolarHBondContact OE2-NH2 2.87Å
733	D	94.2	Very high	91.6	Very high	87 Å²	87	73.7 Å²	73.7	47%	0.465	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	94.4	-177	-166.2	40.8	0	0	0	111.3	L731 K751	L731-D733 HydrophobicContact CG-CB 4.48Å; D733-K751 WeakPolarHBondContact OD1-CE 3.43Å; D733-K751 IonicContact OD1-NZ 3.94Å; D733-K751 PolarHBondContact OD1-NZ 3.13Å; D733-K751 IonicContact OD2-NZ 3.02Å; D733-K751 PolarHBondContact OD2-NZ 2.97Å
734	D	94.1	Very high	92.2	Very high	90 Å²	90	75.7 Å²	75.7	48%	0.481	39%	0.385	S	S	.	.			trans	-92.8	177.4	-179.6	-71.3	-46.2	0	0	0	111.9	L736 S737 K751	D734-L736 PolarHBondContact O-N 3.02Å; D734-S737 CarbonylContact C-O 3.44Å; D734-S737 WeakPolarHBondContact CA-O 3.47Å; D734-S737 WeakPolarHBondContact CB-O 3.32Å; D734-S737 PolarHBondContact N-O 2.53Å; D734-K751 WeakPolarHBondContact O-CE 3.36Å; D734-K751 PolarHBondContact O-NZ 3.48Å
735	R	94.4	Very high	92.9	Very high	210 Å²	210	68.8 Å²	68.8	79%	0.792	35%	0.347	S	S	*	.	S	Bend	trans	-62.3	-39.9	179	-172.6	-179.2	72.4	112.3	-0.4	113.2
736	L	96.5	Very high	93.5	Very high	83 Å²	83	64.7 Å²	64.7	44%	0.435	33%	0.327	S	S	.	.	S	Bend	trans	-110.7	-13.7	-172.2	-62	-179.3	0	0	0	113.3	D734 K751 M752	D734-L736 PolarHBondContact O-N 3.02Å; L736-K751 PolarHBondContact O-N 3.35Å; L736-M752 HydrophobicContact CD2-SD 4.37Å
737	S	97.2	Very high	94.2	Very high	31 Å²	31	62.5 Å²	62.5	22%	0.217	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	158.3	-173.2	50.4	0	0	0	0	111.3	D734 F749	D734-S737 CarbonylContact C-O 3.44Å; D734-S737 WeakPolarHBondContact CA-O 3.47Å; D734-S737 WeakPolarHBondContact CB-O 3.32Å; D734-S737 PolarHBondContact N-O 2.53Å; S737-F749 CarbonylContact C-O 3.54Å; S737-F749 WeakPolarHBondContact CA-O 3.47Å; S737-F749 WeakPolarHBondContact CB-O 3.43Å
738	C	97.4	Very high	94.8	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	115.7	171.5	171	0	0	0	0	107.9	L731 E732 F749 F806	L731-C738 WeakPolarHBondContact CD1-SG 3.47Å; E732-C738 CarbonylContact O-C 3.57Å; E732-C738 WeakPolarHBondContact O-CA 3.29Å; C738-F749 PolarHBondContact N-O 3.46Å; C738-F749 PolarHBondContact O-N 3.12Å; C738-F806 HydrophobicContact CB-CE1 4.24Å; C738-F806 HydrophobicContact CB-CZ 4.19Å
739	T	97.9	Very high	95.2	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.043	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124	-179.7	-53.6	0	0	0	0	111.1	E732 R741 I747 T748	E732-T739 PolarHBondContact N-O 2.76Å; E732-T739 PolarHBondContact O-N 2.71Å; T739-R741 HydrophobicContact CG2-CG 3.97Å; T739-I747 CarbonylContact C-O 3.52Å; T739-I747 WeakPolarHBondContact CA-O 3.29Å; T739-T748 VanDerWaalsContact CG2-OG1 3.26Å; T739-T748 WeakPolarHBondContact CG2-OG1 3.38Å; T739-T748 WeakPolarHBondContact OG1-CB 3.34Å; T739-T748 VanDerWaalsContact OG1-CG2 3.26Å; T739-T748 WeakPolarHBondContact OG1-CG2 3.45Å; T739-T748 PolarHBondContact OG1-OG1 3.05Å
740	V	96.8	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.6	172.8	-173.6	0	0	0	0	108.3	L729 T730 L731 A746 I747 V815 I817 I840	L729-V740 HydrophobicContact CB-CG1 4.26Å; L729-V740 HydrophobicContact CD1-CG1 4.08Å; L729-V740 HydrophobicContact CD2-CG1 4.13Å; L729-V740 HydrophobicContact CG-CG1 4.39Å; T730-V740 WeakPolarHBondContact O-CA 3.42Å; L731-V740 HydrophobicContact CD1-CG2 3.8Å; V740-A746 CarbonylContact O-C 3.54Å; V740-A746 WeakPolarHBondContact O-CA 3.42Å; V740-I747 PolarHBondContact N-O 3.47Å; V740-I747 PolarHBondContact O-N 3.28Å; V740-V815 HydrophobicContact CG1-CB 4.18Å; V740-V815 HydrophobicContact CG1-CG2 4.04Å; V740-V815 HydrophobicContact CG2-CB 4.18Å; V740-V815 HydrophobicContact CG2-CG1 3.79Å; V740-V815 HydrophobicContact CG2-CG2 4.47Å; V740-I817 HydrophobicContact CG2-CD1 4.45Å; V740-I840 HydrophobicContact CB-CD1 3.99Å; V740-I840 HydrophobicContact CG1-CB 4.37Å; V740-I840 HydrophobicContact CG1-CD1 4.25Å; V740-I840 HydrophobicContact CG1-CG2 3.86Å; V740-I840 HydrophobicContact CG2-CD1 3.78Å
741	R	95.4	Very high	95.6	Very high	84 Å²	84	50.1 Å²	50.1	32%	0.317	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.4	177.2	-57.6	-177.7	174.3	72	-13.6	111.8	L729 T730 E732 T739 F745 A746	L729-R741 WeakPolarHBondContact CA-O 3.3Å; T730-R741 PolarHBondContact N-O 2.92Å; T730-R741 PolarHBondContact O-N 3.06Å; T730-R741 WeakPolarHBondContact OG1-CB 3.34Å; T730-R741 PolarHBondContact OG1-O 3.11Å; E732-R741 VanDerWaalsContact CD-CZ 3.41Å; E732-R741 IonicContact OE1-CZ 2.91Å; E732-R741 VanDerWaalsContact OE1-CZ 3.31Å; E732-R741 IonicContact OE1-NE 3.28Å; E732-R741 IonicContact OE1-NH1 3.49Å; E732-R741 PolarHBondContact OE1-NH1 3.33Å; E732-R741 IonicContact OE1-NH2 3.18Å; E732-R741 IonicContact OE2-CZ 3.31Å; E732-R741 IonicContact OE2-NH1 3.69Å; E732-R741 PolarHBondContact OE2-NH1 2.92Å; E732-R741 IonicContact OE2-NH2 3.62Å; E732-R741 PolarHBondContact OE2-NH2 2.87Å; T739-R741 HydrophobicContact CG2-CG 3.97Å; R741-F745 WeakPolarHBondContact CA-O 3.37Å; R741-A746 HydrophobicContact CG-CB 3.83Å
742	G	92.6	Very high	95.6	Very high	20 Å²	20	54.3 Å²	54.3	21%	0.206	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-157.5	169.8	0	0	0	0	0	111.8	N744 F745	G742-N744 PolarHBondContact O-N 2.8Å; G742-F745 PolarHBondContact N-O 3.04Å
743	Y	90.9	Very high	95.7	Very high	83 Å²	83	51.5 Å²	51.5	33%	0.325	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	113.1	177.2	-177.7	-100	0	0	0	110.8	N725 R727 F745	N725-Y743 HydrophobicContact CB-CD1 3.54Å; N725-Y743 HydrophobicContact CB-CD2 4.44Å; N725-Y743 HydrophobicContact CB-CE1 3.38Å; N725-Y743 HydrophobicContact CB-CE2 4.31Å; N725-Y743 HydrophobicContact CB-CG 4.07Å; N725-Y743 WeakPolarHBondContact O-CB 3.37Å; R727-Y743 HydrophobicContact CG-CD2 4.2Å; Y743-F745 WeakPolarHBondContact O-CD1 3.27Å; Y743-F745 PolarHBondContact O-N 3.44Å
744	N	90.8	Very high	95.8	Very high	85 Å²	85	47.3 Å²	47.3	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	19.7	-178.3	-67.4	-6.1	0	0	0	115.5	G742 V761 N762	G742-N744 PolarHBondContact O-N 2.8Å; N744-V761 CarbonylContact O-C 3.14Å; N744-V761 WeakPolarHBondContact O-CA 3.42Å; N744-N762 VanDerWaalsContact CB-OD1 3.3Å; N744-N762 WeakPolarHBondContact CB-OD1 3.47Å; N744-N762 PolarHBondContact ND2-OD1 2.88Å; N744-N762 PolarHBondContact O-N 2.95Å
745	F	94.3	Very high	95.9	Very high	19 Å²	19	43.8 Å²	43.8	8%	0.083	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.2	170.4	74.6	-91.2	0	0	0	112.5	L729 R741 G742 Y743 I747 Q760 V761 I840	L729-F745 HydrophobicContact CD2-CE2 4.23Å; L729-F745 HydrophobicContact CD2-CZ 3.69Å; R741-F745 WeakPolarHBondContact CA-O 3.37Å; G742-F745 PolarHBondContact N-O 3.04Å; Y743-F745 WeakPolarHBondContact O-CD1 3.27Å; Y743-F745 PolarHBondContact O-N 3.44Å; F745-I747 HydrophobicContact CD2-CG1 4.47Å; F745-Q760 CarbonylContact C-O 3.6Å; F745-Q760 WeakPolarHBondContact CA-O 3.26Å; F745-Q760 WeakPolarHBondContact CB-O 3.29Å; F745-V761 HydrophobicContact CB-CG2 4.13Å; F745-I840 HydrophobicContact CE2-CG2 3.98Å; F745-I840 HydrophobicContact CZ-CG2 4.48Å
746	A	96.5	Very high	96	Very high	11 Å²	11	33.8 Å²	33.8	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	136.6	176.3	0	0	0	0	0	110.5	V740 R741 W759 Q760	V740-A746 CarbonylContact O-C 3.54Å; V740-A746 WeakPolarHBondContact O-CA 3.42Å; R741-A746 HydrophobicContact CG-CB 3.83Å; A746-W759 CarbonylContact O-C 3.51Å; A746-W759 WeakPolarHBondContact O-CA 3.07Å; A746-Q760 PolarHBondContact N-O 2.82Å; A746-Q760 PolarHBondContact O-N 2.86Å
747	I	97.6	Very high	96.1	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.3	175.8	-47.6	178.1	0	0	0	108.6	T739 V740 F745 F749 P756 F758 W759 I840 V846	T739-I747 CarbonylContact C-O 3.52Å; T739-I747 WeakPolarHBondContact CA-O 3.29Å; V740-I747 PolarHBondContact N-O 3.47Å; V740-I747 PolarHBondContact O-N 3.28Å; F745-I747 HydrophobicContact CD2-CG1 4.47Å; I747-F749 HydrophobicContact CB-CE2 4.01Å; I747-F749 HydrophobicContact CG2-CD2 4.16Å; I747-F749 HydrophobicContact CG2-CE2 3.41Å; I747-F749 VanDerWaalsContact CG2-CE2 3.41Å; I747-F749 HydrophobicContact CG2-CZ 3.77Å; I747-P756 HydrophobicContact CG2-CB 3.89Å; I747-F758 CarbonylContact C-O 3.55Å; I747-F758 VanDerWaalsContact CA-O 3.31Å; I747-F758 WeakPolarHBondContact CA-O 3.09Å; I747-W759 HydrophobicContact CD1-CD2 3.95Å; I747-W759 HydrophobicContact CD1-CE3 4.48Å; I747-W759 HydrophobicContact CD1-CG 4.29Å; I747-W759 HydrophobicContact CD1-CZ2 4.07Å; I747-W759 HydrophobicContact CG1-CD2 4.12Å; I747-W759 HydrophobicContact CG1-CG 3.92Å; I747-I840 HydrophobicContact CD1-CD1 4.33Å; I747-I840 HydrophobicContact CD1-CG1 4.31Å; I747-I840 HydrophobicContact CD1-CG2 4.43Å; I747-V846 HydrophobicContact CD1-CG2 3.51Å
748	T	98	Very high	96	Very high	22 Å²	22	35 Å²	35	14%	0.135	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125	177.9	-55.7	0	0	0	0	110.3	T739 P756 T757 F758	T739-T748 VanDerWaalsContact CG2-OG1 3.26Å; T739-T748 WeakPolarHBondContact CG2-OG1 3.38Å; T739-T748 WeakPolarHBondContact OG1-CB 3.34Å; T739-T748 VanDerWaalsContact OG1-CG2 3.26Å; T739-T748 WeakPolarHBondContact OG1-CG2 3.45Å; T739-T748 PolarHBondContact OG1-OG1 3.05Å; T748-P756 CarbonylContact O-C 3.54Å; T748-P756 WeakPolarHBondContact O-CA 3.26Å; T748-T757 PolarHBondContact O-N 3.11Å; T748-T757 PolarHBondContact O-OG1 2.61Å; T748-F758 PolarHBondContact N-O 2.93Å; T748-F758 PolarHBondContact O-N 3.3Å
749	F	98.2	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.4	175	-66	-99.6	0	0	0	110.1	S737 C738 I747 K755 P756 F806 I817 W838 I840	S737-F749 CarbonylContact C-O 3.54Å; S737-F749 WeakPolarHBondContact CA-O 3.47Å; S737-F749 WeakPolarHBondContact CB-O 3.43Å; C738-F749 PolarHBondContact N-O 3.46Å; C738-F749 PolarHBondContact O-N 3.12Å; I747-F749 HydrophobicContact CB-CE2 4.01Å; I747-F749 HydrophobicContact CG2-CD2 4.16Å; I747-F749 HydrophobicContact CG2-CE2 3.41Å; I747-F749 VanDerWaalsContact CG2-CE2 3.41Å; I747-F749 HydrophobicContact CG2-CZ 3.77Å; F749-K755 CarbonylContact C-O 3.58Å; F749-K755 WeakPolarHBondContact CA-O 3.48Å; F749-P756 HydrophobicContact CD1-CB 4.12Å; F749-P756 HydrophobicContact CE1-CB 3.88Å; F749-P756 HydrophobicContact CE1-CG 4.07Å; F749-P756 HydrophobicContact CZ-CB 4.16Å; F749-F806 HydrophobicContact CB-CE2 4.15Å; F749-F806 HydrophobicContact CB-CZ 3.99Å; F749-I817 HydrophobicContact CB-CG2 4.47Å; F749-I817 HydrophobicContact CD1-CB 4.27Å; F749-I817 HydrophobicContact CD1-CG1 4.35Å; F749-I817 HydrophobicContact CD1-CG2 3.77Å; F749-I817 HydrophobicContact CD2-CD1 4.42Å; F749-I817 HydrophobicContact CD2-CG1 3.9Å; F749-I817 HydrophobicContact CE1-CB 4.17Å; F749-I817 HydrophobicContact CE1-CG1 4.25Å; F749-I817 HydrophobicContact CE1-CG2 4.14Å; F749-I817 HydrophobicContact CE2-CG1 3.82Å; F749-I817 HydrophobicContact CG-CG1 4.18Å; F749-I817 HydrophobicContact CG-CG2 4.02Å; F749-I817 HydrophobicContact CZ-CB 4.36Å; F749-I817 HydrophobicContact CZ-CG1 4Å; F749-W838 HydrophobicContact CE1-CB 4.11Å; F749-W838 AromaticContact CE1-CD1 3.78Å; F749-W838 AromaticContact CE1-CD2 3.88Å; F749-W838 HydrophobicContact CE1-CD2 3.88Å; F749-W838 AromaticContact CE1-CG 3.66Å; F749-W838 HydrophobicContact CE1-CG 3.66Å; F749-W838 HydrophobicContact CZ-CB 4.07Å; F749-W838 HydrophobicContact CZ-CD2 4.22Å; F749-W838 HydrophobicContact CZ-CE3 4.5Å; F749-W838 HydrophobicContact CZ-CG 4.03Å; F749-I840 HydrophobicContact CE2-CD1 3.56Å; F749-I840 HydrophobicContact CZ-CD1 3.84Å
750	S	97.6	Very high	95.9	Very high	21 Å²	21	39.2 Å²	39.2	15%	0.147	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.8	169.3	163.6	0	0	0	0	109.4	M752 S753 G754 K755	S750-M752 PolarHBondContact O-N 3.32Å; S750-M752 PolarHBondContact OG-N 3.48Å; S750-M752 VanDerWaalsContact OG-N 3.14Å; S750-S753 VanDerWaalsContact CB-OG 3.25Å; S750-S753 WeakPolarHBondContact CB-OG 3.46Å; S750-S753 PolarHBondContact OG-N 3.48Å; S750-S753 PolarHBondContact OG-OG 3.26Å; S750-G754 WeakPolarHBondContact O-CA 3.41Å; S750-G754 PolarHBondContact O-N 2.82Å; S750-K755 PolarHBondContact N-O 2.84Å
751	K	97.2	Very high	95.7	Very high	58 Å²	58	41.7 Å²	41.7	25%	0.252	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6	172	-67.8	-173.8	171.9	177.9	0	112.7	D733 D734 L736 L803 F806	D733-K751 WeakPolarHBondContact OD1-CE 3.43Å; D733-K751 IonicContact OD1-NZ 3.94Å; D733-K751 PolarHBondContact OD1-NZ 3.13Å; D733-K751 IonicContact OD2-NZ 3.02Å; D733-K751 PolarHBondContact OD2-NZ 2.97Å; D734-K751 WeakPolarHBondContact O-CE 3.36Å; D734-K751 PolarHBondContact O-NZ 3.48Å; L736-K751 PolarHBondContact O-N 3.35Å; K751-L803 WeakPolarHBondContact O-CD2 3.11Å; K751-F806 HydrophobicContact CD-CD1 4.47Å; K751-F806 HydrophobicContact CD-CE1 4.41Å; K751-F806 HydrophobicContact CG-CD1 3.91Å; K751-F806 HydrophobicContact CG-CE1 3.75Å; K751-F806 HydrophobicContact CG-CZ 4.25Å
752	M	95.7	Very high	95.4	Very high	141 Å²	141	42.4 Å²	42.4	70%	0.695	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-41.1	177.3	-64	179.4	57	0	0	112.1	L736 S750 L803	L736-M752 HydrophobicContact CD2-SD 4.37Å; S750-M752 PolarHBondContact O-N 3.32Å; S750-M752 PolarHBondContact OG-N 3.48Å; S750-M752 VanDerWaalsContact OG-N 3.14Å; M752-L803 WeakPolarHBondContact O-CD2 3.2Å
753	S	95.7	Very high	95.3	Very high	28 Å²	28	44 Å²	44	20%	0.196	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-21.8	178.3	58.6	0	0	0	0	112.9	S750 K755 E770	S750-S753 VanDerWaalsContact CB-OG 3.25Å; S750-S753 WeakPolarHBondContact CB-OG 3.46Å; S750-S753 PolarHBondContact OG-N 3.48Å; S750-S753 PolarHBondContact OG-OG 3.26Å; S753-K755 VanDerWaalsContact C-N 3.3Å; S753-E770 WeakPolarHBondContact CB-OE1 3.37Å; S753-E770 WeakPolarHBondContact CB-OE2 3.48Å; S753-E770 PolarHBondContact OG-OE1 2.92Å; S753-E770 PolarHBondContact OG-OE2 2.69Å
754	G	96.8	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	76.4	15.3	-175.2	0	0	0	0	0	113.8	S750 S819	S750-G754 WeakPolarHBondContact O-CA 3.41Å; S750-G754 PolarHBondContact O-N 2.82Å; G754-S819 WeakPolarHBondContact CA-OG 3.1Å; G754-S819 WeakPolarHBondContact O-CB 3.33Å; G754-S819 PolarHBondContact O-OG 3.15Å
755	K	96.7	Very high	95.6	Very high	15 Å²	15	40.8 Å²	40.8	7%	0.065	23%	0.228	C	C	.	.	S	Bend	trans	-121.8	156.1	-171.2	-67.8	167.5	178.5	-176.9	0	111.5	F749 S750 S753 T757 E770 P771 K772 E801	F749-K755 CarbonylContact C-O 3.58Å; F749-K755 WeakPolarHBondContact CA-O 3.48Å; S750-K755 PolarHBondContact N-O 2.84Å; S753-K755 VanDerWaalsContact C-N 3.3Å; K755-T757 PolarHBondContact O-N 2.8Å; K755-E770 HydrophobicContact CB-CB 4.1Å; K755-E770 HydrophobicContact CB-CG 4.28Å; K755-E770 HydrophobicContact CD-CB 3.98Å; K755-E770 WeakPolarHBondContact CD-OE2 3.32Å; K755-P771 VanDerWaalsContact CD-O 3.24Å; K755-P771 WeakPolarHBondContact CD-O 3.37Å; K755-P771 WeakPolarHBondContact CE-O 3.22Å; K755-K772 VanDerWaalsContact NZ-CB 3.35Å; K755-E801 WeakPolarHBondContact CE-OE2 3.29Å; K755-E801 IonicContact NZ-OE2 3.37Å; K755-E801 PolarHBondContact NZ-OE2 3.13Å
756	P	97.4	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	131.3	170.3	28.3	-31.3	0	0	0	109.1	I747 T748 F749 L767 P771 W838	I747-P756 HydrophobicContact CG2-CB 3.89Å; T748-P756 CarbonylContact O-C 3.54Å; T748-P756 WeakPolarHBondContact O-CA 3.26Å; F749-P756 HydrophobicContact CD1-CB 4.12Å; F749-P756 HydrophobicContact CE1-CB 3.88Å; F749-P756 HydrophobicContact CE1-CG 4.07Å; F749-P756 HydrophobicContact CZ-CB 4.16Å; P756-L767 HydrophobicContact CB-CD2 4.16Å; P756-L767 HydrophobicContact CG-CD2 4.35Å; P756-L767 WeakPolarHBondContact O-CD2 3.09Å; P756-P771 HydrophobicContact CG-CG 3.79Å; P756-W838 HydrophobicContact CG-CH2 3.77Å; P756-W838 HydrophobicContact CG-CZ2 3.76Å; P756-W838 HydrophobicContact CG-CZ3 4.27Å
757	T	96.6	Very high	95.7	Very high	66 Å²	66	39.8 Å²	39.8	41%	0.405	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-18.9	177.6	48.3	0	0	0	0	112	T748 K755 E770	T748-T757 PolarHBondContact O-N 3.11Å; T748-T757 PolarHBondContact O-OG1 2.61Å; K755-T757 PolarHBondContact O-N 2.8Å; T757-E770 HydrophobicContact CG2-CG 4.11Å; T757-E770 WeakPolarHBondContact CG2-OE1 3.35Å
758	F	96.4	Very high	95.6	Very high	75 Å²	75	43 Å²	43	33%	0.329	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	135.2	177	-179.9	-98.8	0	0	0	109	I747 T748 Q760	I747-F758 CarbonylContact C-O 3.55Å; I747-F758 VanDerWaalsContact CA-O 3.31Å; I747-F758 WeakPolarHBondContact CA-O 3.09Å; T748-F758 PolarHBondContact N-O 2.93Å; T748-F758 PolarHBondContact O-N 3.3Å; F758-Q760 HydrophobicContact CD1-CB 4.44Å; F758-Q760 HydrophobicContact CE1-CB 3.5Å; F758-Q760 VanDerWaalsContact CE1-CB 3.5Å; F758-Q760 HydrophobicContact CE2-CB 4.45Å; F758-Q760 HydrophobicContact CZ-CB 3.52Å; F758-Q760 HydrophobicContact CZ-CG 4.21Å
759	W	96.8	Very high	95.5	Very high	26 Å²	26	46 Å²	46	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	115.7	173.6	-171.2	-23.4	0	0	0	107.7	A746 I747 L766 L767 W838 V846	A746-W759 CarbonylContact O-C 3.51Å; A746-W759 WeakPolarHBondContact O-CA 3.07Å; I747-W759 HydrophobicContact CD1-CD2 3.95Å; I747-W759 HydrophobicContact CD1-CE3 4.48Å; I747-W759 HydrophobicContact CD1-CG 4.29Å; I747-W759 HydrophobicContact CD1-CZ2 4.07Å; I747-W759 HydrophobicContact CG1-CD2 4.12Å; I747-W759 HydrophobicContact CG1-CG 3.92Å; W759-L766 HydrophobicContact CB-CB 4.4Å; W759-L766 HydrophobicContact CD2-CD2 4.19Å; W759-L766 HydrophobicContact CE3-CD2 4.19Å; W759-L766 HydrophobicContact CG-CB 4.32Å; W759-L766 HydrophobicContact CG-CD2 4.4Å; W759-L766 PolarHBondContact O-N 2.88Å; W759-L767 HydrophobicContact CB-CB 3.85Å; W759-W838 HydrophobicContact CZ3-CZ3 4.23Å; W759-V846 HydrophobicContact CH2-CB 3.63Å; W759-V846 HydrophobicContact CH2-CG1 3.82Å; W759-V846 HydrophobicContact CH2-CG2 3.72Å; W759-V846 HydrophobicContact CZ2-CB 3.88Å; W759-V846 HydrophobicContact CZ2-CG1 4.43Å; W759-V846 HydrophobicContact CZ2-CG2 3.46Å; W759-V846 VanDerWaalsContact CZ2-CG2 3.46Å; W759-V846 HydrophobicContact CZ3-CG1 4.37Å
760	Q	95.4	Very high	95.5	Very high	68 Å²	68	49.2 Å²	49.2	32%	0.318	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.4	179.1	-176.3	179.5	50.3	0	0	110.7	F745 A746 F758 G763 E764	F745-Q760 CarbonylContact C-O 3.6Å; F745-Q760 WeakPolarHBondContact CA-O 3.26Å; F745-Q760 WeakPolarHBondContact CB-O 3.29Å; A746-Q760 PolarHBondContact N-O 2.82Å; A746-Q760 PolarHBondContact O-N 2.86Å; F758-Q760 HydrophobicContact CD1-CB 4.44Å; F758-Q760 HydrophobicContact CE1-CB 3.5Å; F758-Q760 VanDerWaalsContact CE1-CB 3.5Å; F758-Q760 HydrophobicContact CE2-CB 4.45Å; F758-Q760 HydrophobicContact CZ-CB 3.52Å; F758-Q760 HydrophobicContact CZ-CG 4.21Å; Q760-G763 VanDerWaalsContact NE2-C 3.31Å; Q760-G763 PolarHBondContact NE2-O 2.88Å; Q760-E764 CarbonylContact C-O 3.57Å; Q760-E764 VanDerWaalsContact CA-O 3.26Å; Q760-E764 WeakPolarHBondContact CA-O 3.29Å; Q760-E764 WeakPolarHBondContact CG-O 3.44Å
761	V	92.4	Very high	95.4	Very high	52 Å²	52	48.2 Å²	48.2	32%	0.315	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129	174.9	-175.7	0	0	0	0	108.4	N744 F745 G763 E764	N744-V761 CarbonylContact O-C 3.14Å; N744-V761 WeakPolarHBondContact O-CA 3.42Å; F745-V761 HydrophobicContact CB-CG2 4.13Å; V761-G763 PolarHBondContact O-N 2.9Å; V761-G763 VanDerWaalsContact O-N 3.07Å; V761-E764 PolarHBondContact N-O 3.08Å; V761-E764 PolarHBondContact O-N 3.4Å
762	N	89.7	Confident	95.4	Very high	100 Å²	100	48.9 Å²	48.9	54%	0.535	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	30.3	-177.1	-63.8	-43.4	0	0	0	114.7	N744 E764	N744-N762 VanDerWaalsContact CB-OD1 3.3Å; N744-N762 WeakPolarHBondContact CB-OD1 3.47Å; N744-N762 PolarHBondContact ND2-OD1 2.88Å; N744-N762 PolarHBondContact O-N 2.95Å; N762-E764 VanDerWaalsContact C-N 3.31Å
763	G	90.6	Very high	95.5	Very high	53 Å²	53	42.9 Å²	42.9	55%	0.546	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-10.5	-177.8	0	0	0	0	0	114.7	Q760 V761	Q760-G763 VanDerWaalsContact NE2-C 3.31Å; Q760-G763 PolarHBondContact NE2-O 2.88Å; V761-G763 PolarHBondContact O-N 2.9Å; V761-G763 VanDerWaalsContact O-N 3.07Å
764	E	92.8	Very high	95.5	Very high	56 Å²	56	42.2 Å²	42.2	26%	0.262	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.5	177.3	-67.9	176.2	-171.6	0	0	110.6	Q760 V761 N762 N935	Q760-E764 CarbonylContact C-O 3.57Å; Q760-E764 VanDerWaalsContact CA-O 3.26Å; Q760-E764 WeakPolarHBondContact CA-O 3.29Å; Q760-E764 WeakPolarHBondContact CG-O 3.44Å; V761-E764 PolarHBondContact N-O 3.08Å; V761-E764 PolarHBondContact O-N 3.4Å; N762-E764 VanDerWaalsContact C-N 3.31Å; E764-N935 PolarHBondContact OE1-ND2 3.04Å; E764-N935 VanDerWaalsContact OE2-CB 3.24Å; E764-N935 WeakPolarHBondContact OE2-CB 3.48Å; E764-N935 PolarHBondContact OE2-ND2 3.26Å; E764-N935 VanDerWaalsContact OE2-ND2 3.15Å
765	S	95.1	Very high	95.5	Very high	44 Å²	44	43.1 Å²	43.1	31%	0.308	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.2	173	-163.8	0	0	0	0	109	L767 N872	S765-L767 PolarHBondContact OG-O 3.15Å; S765-N872 WeakPolarHBondContact O-CB 3.32Å; S765-N872 PolarHBondContact O-ND2 2.79Å; S765-N872 VanDerWaalsContact O-ND2 3.07Å
766	L	96	Very high	95.4	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.229	C	C	.	.			trans	-91.8	-44.4	176.9	-179.2	153.6	0	0	0	111.3	W759 M869 I871 N872 Y875 L937	W759-L766 HydrophobicContact CB-CB 4.4Å; W759-L766 HydrophobicContact CD2-CD2 4.19Å; W759-L766 HydrophobicContact CE3-CD2 4.19Å; W759-L766 HydrophobicContact CG-CB 4.32Å; W759-L766 HydrophobicContact CG-CD2 4.4Å; W759-L766 PolarHBondContact O-N 2.88Å; L766-M869 HydrophobicContact CD2-CE 4.25Å; L766-I871 HydrophobicContact CD2-CG2 4.33Å; L766-I871 CarbonylContact O-C 3.47Å; L766-I871 WeakPolarHBondContact O-CA 3.3Å; L766-N872 PolarHBondContact O-N 3.13Å; L766-Y875 HydrophobicContact CB-CE2 4.31Å; L766-Y875 HydrophobicContact CG-CE2 4.06Å; L766-L937 HydrophobicContact CD1-CB 4.23Å; L766-L937 HydrophobicContact CD1-CD1 4.09Å
767	L	96.8	Very high	95.3	Very high	6 Å²	6	43 Å²	43	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	137.4	-172.1	-167.3	79.3	0	0	0	111.3	P756 W759 S765 R769 P771 M869 G870	P756-L767 HydrophobicContact CB-CD2 4.16Å; P756-L767 HydrophobicContact CG-CD2 4.35Å; P756-L767 WeakPolarHBondContact O-CD2 3.09Å; W759-L767 HydrophobicContact CB-CB 3.85Å; S765-L767 PolarHBondContact OG-O 3.15Å; L767-R769 VanDerWaalsContact CD1-O 3.26Å; L767-R769 WeakPolarHBondContact CD1-O 3.01Å; L767-R769 WeakPolarHBondContact CG-O 3.12Å; L767-P771 HydrophobicContact CD1-CG 3.86Å; L767-M869 HydrophobicContact CD1-CB 4.4Å; L767-M869 HydrophobicContact CD1-CE 3.43Å; L767-M869 VanDerWaalsContact CD1-CE 3.43Å; L767-G870 WeakPolarHBondContact CD1-O 3.21Å
768	T	96.8	Very high	95.3	Very high	69 Å²	69	39.8 Å²	39.8	42%	0.423	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-30.2	176.5	55.2	0	0	0	0	112.6	G870 I871 D971	T768-G870 PolarHBondContact N-O 3.14Å; T768-G870 WeakPolarHBondContact OG1-CA 3.38Å; T768-G870 PolarHBondContact OG1-O 2.85Å; T768-G870 VanDerWaalsContact OG1-O 3.13Å; T768-I871 PolarHBondContact OG1-N 2.96Å; T768-D971 VanDerWaalsContact CB-OD2 3.28Å; T768-D971 WeakPolarHBondContact CB-OD2 3.22Å; T768-D971 HydrophobicContact CG2-CB 3.81Å; T768-D971 WeakPolarHBondContact OG1-CB 3.19Å; T768-D971 PolarHBondContact OG1-OD2 2.89Å
769	R	95.9	Very high	95.3	Very high	84 Å²	84	37.6 Å²	37.6	32%	0.317	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.1	172	-66.7	-173.3	-75.7	-85.3	-6.7	111.4	L767 G870 D971 T973	L767-R769 VanDerWaalsContact CD1-O 3.26Å; L767-R769 WeakPolarHBondContact CD1-O 3.01Å; L767-R769 WeakPolarHBondContact CG-O 3.12Å; R769-G870 PolarHBondContact N-O 2.99Å; R769-G870 PolarHBondContact O-N 2.87Å; R769-D971 VanDerWaalsContact CZ-CG 3.46Å; R769-D971 IonicContact CZ-OD1 2.67Å; R769-D971 IonicContact CZ-OD2 2.79Å; R769-D971 IonicContact NE-OD2 2.7Å; R769-D971 IonicContact NH1-OD1 2.61Å; R769-D971 PolarHBondContact NH1-OD1 2.84Å; R769-D971 IonicContact NH1-OD2 3.49Å; R769-D971 PolarHBondContact NH1-OD2 2.83Å; R769-D971 VanDerWaalsContact NH2-CG 3.33Å; R769-D971 IonicContact NH2-OD1 2.99Å; R769-D971 PolarHBondContact NH2-OD1 2.93Å; R769-D971 IonicContact NH2-OD2 3.91Å; R769-D971 PolarHBondContact NH2-OD2 3.37Å; R769-T973 PolarHBondContact NH2-OG1 2.91Å
770	E	96.5	Very high	95.2	Very high	68 Å²	68	36.4 Å²	36.4	32%	0.318	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	132.8	179.9	-62	-171.5	153	0	0	112.1	S753 K755 T757	S753-E770 WeakPolarHBondContact CB-OE1 3.37Å; S753-E770 WeakPolarHBondContact CB-OE2 3.48Å; S753-E770 PolarHBondContact OG-OE1 2.92Å; S753-E770 PolarHBondContact OG-OE2 2.69Å; K755-E770 HydrophobicContact CB-CB 4.1Å; K755-E770 HydrophobicContact CB-CG 4.28Å; K755-E770 HydrophobicContact CD-CB 3.98Å; K755-E770 WeakPolarHBondContact CD-OE2 3.32Å; T757-E770 HydrophobicContact CG2-CG 4.11Å; T757-E770 WeakPolarHBondContact CG2-OE1 3.35Å
771	P	97.2	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	136.1	171	-19.5	33.1	0	0	0	111.5	K755 P756 L767 W838 F867 T868 M869	K755-P771 VanDerWaalsContact CD-O 3.24Å; K755-P771 WeakPolarHBondContact CD-O 3.37Å; K755-P771 WeakPolarHBondContact CE-O 3.22Å; P756-P771 HydrophobicContact CG-CG 3.79Å; L767-P771 HydrophobicContact CD1-CG 3.86Å; P771-W838 HydrophobicContact CB-CH2 4.06Å; P771-W838 HydrophobicContact CB-CZ2 4.17Å; P771-W838 HydrophobicContact CG-CH2 3.91Å; P771-W838 HydrophobicContact CG-CZ2 4.28Å; P771-F867 HydrophobicContact CB-CE1 4.03Å; P771-F867 HydrophobicContact CB-CE2 3.55Å; P771-F867 HydrophobicContact CB-CZ 3.22Å; P771-F867 HydrophobicContact CG-CZ 4.33Å; P771-T868 CarbonylContact C-O 3.56Å; P771-T868 VanDerWaalsContact CA-O 3.26Å; P771-T868 WeakPolarHBondContact CA-O 3.43Å; P771-M869 HydrophobicContact CB-CB 3.85Å; P771-M869 HydrophobicContact CG-CB 3.85Å; P771-M869 HydrophobicContact CG-CE 4.08Å
772	K	96.8	Very high	95.1	Very high	71 Å²	71	32.9 Å²	32.9	31%	0.309	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142.9	-179.5	65.5	-179.2	179.9	177	0	111.4	K755 F867 T868 E955	K755-K772 VanDerWaalsContact NZ-CB 3.35Å; K772-F867 WeakPolarHBondContact O-CA 3.32Å; K772-F867 WeakPolarHBondContact O-CD2 3.44Å; K772-T868 PolarHBondContact N-O 3.15Å; K772-T868 PolarHBondContact O-N 2.65Å; K772-E955 IonicContact NZ-OE1 2.71Å
773	I	97.6	Very high	95.3	Very high	16 Å²	16	28.3 Å²	28.3	8%	0.082	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	136.3	161.2	-68.3	163.9	0	0	0	107.2	F775 I823 C834 Y836 L850 G866	I773-F775 HydrophobicContact CG2-CD2 4.34Å; I773-F775 HydrophobicContact CG2-CE1 4.1Å; I773-F775 HydrophobicContact CG2-CE2 3.62Å; I773-F775 HydrophobicContact CG2-CZ 3.46Å; I773-F775 VanDerWaalsContact CG2-CZ 3.46Å; I773-I823 HydrophobicContact CB-CD1 3.64Å; I773-I823 HydrophobicContact CG2-CD1 3.89Å; I773-C834 HydrophobicContact CD1-CB 3.74Å; I773-Y836 WeakPolarHBondContact CB-OH 3.31Å; I773-Y836 HydrophobicContact CD1-CE1 3.99Å; I773-Y836 HydrophobicContact CD1-CE2 3.99Å; I773-Y836 HydrophobicContact CG1-CE1 3.79Å; I773-Y836 PolarHBondContact N-OH 3.37Å; I773-L850 HydrophobicContact CD1-CB 4.27Å; I773-L850 HydrophobicContact CD1-CD2 4.23Å; I773-L850 HydrophobicContact CG1-CB 4.49Å; I773-L850 HydrophobicContact CG1-CD1 4.12Å; I773-L850 HydrophobicContact CG1-CD2 4.2Å; I773-G866 CarbonylContact C-O 3.58Å; I773-G866 VanDerWaalsContact CA-O 3.32Å; I773-G866 WeakPolarHBondContact CA-O 3.35Å
774	N	95.1	Very high	95.5	Very high	14 Å²	14	29.8 Å²	29.8	8%	0.075	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138	-175.3	-170.9	25.1	0	0	0	109.5	F776 G866 T868 Q954	N774-F776 VanDerWaalsContact CG-O 3.23Å; N774-F776 PolarHBondContact ND2-O 3.3Å; N774-F776 PolarHBondContact OD1-N 2.85Å; N774-F776 PolarHBondContact OD1-O 3Å; N774-G866 PolarHBondContact N-O 3.26Å; N774-G866 PolarHBondContact O-N 3.5Å; N774-T868 PolarHBondContact ND2-OG1 3.01Å; N774-Q954 PolarHBondContact ND2-OE1 2.82Å
775	F	96.5	Very high	95.5	Very high	19 Å²	19	35 Å²	35	8%	0.083	17%	0.169	C	C	.	.			trans	-121.2	7.8	177.6	-61.5	-70.3	0	0	0	112.4	I773 M799 I823 M832 I862 P863 C864 I865	I773-F775 HydrophobicContact CG2-CD2 4.34Å; I773-F775 HydrophobicContact CG2-CE1 4.1Å; I773-F775 HydrophobicContact CG2-CE2 3.62Å; I773-F775 HydrophobicContact CG2-CZ 3.46Å; I773-F775 VanDerWaalsContact CG2-CZ 3.46Å; F775-M799 HydrophobicContact CB-SD 4.01Å; F775-M799 HydrophobicContact CD2-CE 4.11Å; F775-M799 HydrophobicContact CD2-SD 4.22Å; F775-I823 HydrophobicContact CD2-CG2 3.9Å; F775-I823 HydrophobicContact CE2-CB 4.1Å; F775-I823 HydrophobicContact CE2-CD1 4.06Å; F775-I823 HydrophobicContact CE2-CG2 3.97Å; F775-M832 HydrophobicContact CE1-CG 4.23Å; F775-M832 HydrophobicContact CE2-CB 3.86Å; F775-M832 HydrophobicContact CE2-CG 3.78Å; F775-M832 HydrophobicContact CZ-CB 3.91Å; F775-M832 HydrophobicContact CZ-CG 3.58Å; F775-I862 HydrophobicContact CD1-CD1 4.13Å; F775-P863 WeakPolarHBondContact O-CD 3.22Å; F775-C864 WeakPolarHBondContact CA-O 3.46Å; F775-I865 HydrophobicContact CD1-CG1 4.26Å; F775-I865 HydrophobicContact CE1-CG1 4.33Å; F775-I865 HydrophobicContact CE1-CG2 4.12Å
776	F	95.9	Very high	95.5	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.031	17%	0.169	C	C	.	.			trans	-127.6	149.4	-179.2	-171.3	-103.9	0	0	0	110	N774 Y787 L796 Q797 P863 C864 Q954 H958	N774-F776 VanDerWaalsContact CG-O 3.23Å; N774-F776 PolarHBondContact ND2-O 3.3Å; N774-F776 PolarHBondContact OD1-N 2.85Å; N774-F776 PolarHBondContact OD1-O 3Å; F776-Y787 HydrophobicContact CE2-CD2 4.4Å; F776-Y787 HydrophobicContact CE2-CE2 4.24Å; F776-Y787 HydrophobicContact CZ-CE2 4.13Å; F776-L796 HydrophobicContact CD2-CB 4.4Å; F776-Q797 HydrophobicContact CD1-CB 4Å; F776-Q797 HydrophobicContact CD2-CB 3.87Å; F776-Q797 HydrophobicContact CE1-CB 3.7Å; F776-Q797 HydrophobicContact CE2-CB 3.57Å; F776-Q797 HydrophobicContact CG-CB 4.09Å; F776-Q797 HydrophobicContact CZ-CB 3.48Å; F776-Q797 VanDerWaalsContact CZ-CB 3.48Å; F776-P863 HydrophobicContact CD2-CG 4.03Å; F776-C864 VanDerWaalsContact C-SG 3.51Å; F776-C864 PolarHBondContact N-SG 3.42Å; F776-C864 VanDerWaalsContact N-SG 3.37Å; F776-C864 PolarHBondContact O-SG 3.24Å; F776-Q954 HydrophobicContact CD1-CG 4.49Å; F776-Q954 PolarHBondContact O-NE2 3.06Å; F776-Q954 PolarHBondContact O-OE1 3.28Å; F776-H958 AromaticContact CE1-CG 3.93Å; F776-H958 AromaticContact CE1-ND1 3.81Å; F776-H958 AromaticContact CZ-CE1 3.62Å; F776-H958 AromaticContact CZ-ND1 3.67Å
777	K	95.6	Very high	95.5	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.017	17%	0.174	C	C	.	.			trans	-132.8	159.5	170.7	63	175.3	-178.9	72.2	0	107.4	M779 I780 H783 P863 N917 L980	K777-M779 PolarHBondContact O-N 2.87Å; K777-I780 VanDerWaalsContact NZ-CD1 3.3Å; K777-H783 PolarHBondContact NZ-ND1 2.85Å; K777-P863 HydrophobicContact CD-CB 4.38Å; K777-P863 HydrophobicContact CG-CB 3.75Å; K777-N917 HydrophobicContact CD-CB 4.22Å; K777-L980 HydrophobicContact CD-CD1 3.58Å; K777-L980 HydrophobicContact CD-CG 4.49Å
778	P	96.2	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-51	139	168.3	-20.8	32.9	0	0	0	110	I780 N917 W950 Q954 I957 H958	P778-I780 PolarHBondContact O-N 3Å; P778-N917 HydrophobicContact CB-CB 4.36Å; P778-N917 WeakPolarHBondContact O-CB 3.37Å; P778-W950 HydrophobicContact CG-CH2 4.24Å; P778-W950 HydrophobicContact CG-CZ3 4.35Å; P778-Q954 HydrophobicContact CG-CG 4.08Å; P778-I957 HydrophobicContact CB-CB 4.12Å; P778-I957 HydrophobicContact CB-CG2 3.62Å; P778-I957 HydrophobicContact CG-CB 3.83Å; P778-I957 HydrophobicContact CG-CG2 3.73Å; P778-H958 HydrophobicContact CB-CB 4.2Å
779	M	95.3	Very high	95.4	Very high	29 Å²	29	41 Å²	41	14%	0.143	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-58.5	135.4	-178.7	-175.7	-178.9	74.9	0	0	109.7	K777 K784 Y787 Q916 H958	K777-M779 PolarHBondContact O-N 2.87Å; M779-K784 HydrophobicContact SD-CB 4.47Å; M779-Y787 HydrophobicContact CG-CG 4.22Å; M779-Y787 WeakPolarHBondContact SD-CB 3.36Å; M779-Y787 HydrophobicContact SD-CD1 3.5Å; M779-Y787 WeakPolarHBondContact SD-CD1 3.38Å; M779-Y787 HydrophobicContact SD-CD2 4.19Å; M779-Y787 HydrophobicContact SD-CE1 4.25Å; M779-Y787 HydrophobicContact SD-CG 3.45Å; M779-Q916 WeakPolarHBondContact O-CB 3.24Å; M779-H958 PolarHBondContact N-ND1 3.5Å
780	I	95.6	Very high	95.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-88.3	140.1	162.9	-71.4	169.8	0	0	0	105.5	N531 K777 P778 N782 H783 Y889 N917 L983	N531-I780 HydrophobicContact CB-CG2 4.16Å; N531-I780 WeakPolarHBondContact O-CG2 3.36Å; K777-I780 VanDerWaalsContact NZ-CD1 3.3Å; P778-I780 PolarHBondContact O-N 3Å; I780-N782 VanDerWaalsContact C-N 3.33Å; I780-N782 PolarHBondContact O-N 2.95Å; I780-H783 WeakPolarHBondContact O-CA 3.39Å; I780-H783 VanDerWaalsContact O-CB 3.27Å; I780-H783 WeakPolarHBondContact O-CB 3.27Å; I780-H783 PolarHBondContact O-N 3.08Å; I780-Y889 HydrophobicContact CD1-CE1 3.97Å; I780-N917 HydrophobicContact CD1-CB 4.23Å; I780-N917 HydrophobicContact CG1-CB 3.83Å; I780-L983 HydrophobicContact CD1-CD2 3.65Å; I780-L983 HydrophobicContact CG2-CD2 4.47Å
781	D	93.6	Very high	95.4	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-57.2	-45.1	-169.1	-140.4	1.1	0	0	0	113	M529 N587 H783 K784	M529-D781 HydrophobicContact CE-CB 4.46Å; M529-D781 VanDerWaalsContact CE-CG 3.42Å; M529-D781 WeakPolarHBondContact CE-OD2 3.14Å; M529-D781 HydrophobicContact CG-CB 4Å; M529-D781 WeakPolarHBondContact CG-OD2 3.21Å; M529-D781 HydrophobicContact SD-CB 4.41Å; N587-D781 PolarHBondContact ND2-OD1 2.86Å; N587-D781 VanDerWaalsContact ND2-OD1 3.08Å; N587-D781 PolarHBondContact ND2-OD2 3.05Å; D781-H783 PolarHBondContact O-N 2.87Å; D781-K784 VanDerWaalsContact O-CB 3.25Å; D781-K784 WeakPolarHBondContact O-CB 3.37Å; D781-K784 PolarHBondContact O-N 3.45Å
782	N	92.3	Very high	95.4	Very high	43 Å²	43	40 Å²	40	23%	0.23	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-61.2	-14.1	174.2	-78.1	-38.1	0	0	0	114.2	H527 M529 I780 K784	H527-N782 PolarHBondContact ND1-OD1 3.32Å; H527-N782 PolarHBondContact O-ND2 2.77Å; M529-N782 PolarHBondContact O-ND2 2.76Å; I780-N782 VanDerWaalsContact C-N 3.33Å; I780-N782 PolarHBondContact O-N 2.95Å; N782-K784 VanDerWaalsContact C-N 3.33Å
783	H	94.2	Very high	95.4	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.019	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-90.5	10.9	173.3	-56.8	162.3	0	0	0	113.3	K777 I780 D781 Q785 E786 Y787 W791 G982 L983	K777-H783 PolarHBondContact NZ-ND1 2.85Å; I780-H783 WeakPolarHBondContact O-CA 3.39Å; I780-H783 VanDerWaalsContact O-CB 3.27Å; I780-H783 WeakPolarHBondContact O-CB 3.27Å; I780-H783 PolarHBondContact O-N 3.08Å; D781-H783 PolarHBondContact O-N 2.87Å; H783-Q785 VanDerWaalsContact C-N 3.25Å; H783-Q785 PolarHBondContact O-N 2.89Å; H783-E786 WeakPolarHBondContact CA-OE2 3.15Å; H783-E786 PolarHBondContact O-N 2.86Å; H783-Y787 WeakPolarHBondContact O-CB 3.41Å; H783-Y787 PolarHBondContact O-N 3.19Å; H783-W791 HydrophobicContact CB-CH2 3.57Å; H783-W791 HydrophobicContact CB-CZ3 3.68Å; H783-W791 AromaticContact CG-CH2 3.76Å; H783-W791 AromaticContact ND1-CH2 3.64Å; H783-G982 PolarHBondContact CE1-O 3.43Å; H783-G982 PolarHBondContact NE2-O 3.08Å; H783-L983 PolarHBondContact NE2-O 2.86Å
784	K	93.3	Very high	95.4	Very high	84 Å²	84	40.4 Å²	40.4	37%	0.365	21%	0.208	S	C	.	.	H	α-helix	trans	-55.1	-40.8	-178.8	-176	174.2	-178.3	178.5	0	112.2	M779 D781 N782 Y787 E788	M779-K784 HydrophobicContact SD-CB 4.47Å; D781-K784 VanDerWaalsContact O-CB 3.25Å; D781-K784 WeakPolarHBondContact O-CB 3.37Å; D781-K784 PolarHBondContact O-N 3.45Å; N782-K784 VanDerWaalsContact C-N 3.33Å; K784-Y787 PolarHBondContact O-N 2.86Å; K784-E788 WeakPolarHBondContact CE-OE1 3.32Å; K784-E788 HydrophobicContact CG-CG 4.36Å; K784-E788 WeakPolarHBondContact O-CB 3.49Å; K784-E788 WeakPolarHBondContact O-CG 3.27Å; K784-E788 PolarHBondContact O-N 2.91Å
785	Q	92.7	Very high	95.4	Very high	164 Å²	164	42.1 Å²	42.1	77%	0.766	22%	0.216	S	C	*	.	H	α-helix	trans	-64	-45.7	177.8	-65.6	-173.7	3.9	0	0	112.1	H783 Y787 G789	H783-Q785 VanDerWaalsContact C-N 3.25Å; H783-Q785 PolarHBondContact O-N 2.89Å; Q785-Y787 VanDerWaalsContact C-N 3.33Å; Q785-G789 WeakPolarHBondContact O-CA 3.36Å; Q785-G789 PolarHBondContact O-N 2.55Å
786	E	95.2	Very high	95.4	Very high	63 Å²	63	41.5 Å²	41.5	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-64.8	-38.4	174.1	-70.8	72.1	-163.5	0	0	111.6	H783 L790 W791 I861	H783-E786 WeakPolarHBondContact CA-OE2 3.15Å; H783-E786 PolarHBondContact O-N 2.86Å; E786-L790 HydrophobicContact CB-CD1 4.49Å; E786-L790 HydrophobicContact CG-CD1 4.37Å; E786-L790 CarbonylContact O-C 3.59Å; E786-L790 VanDerWaalsContact O-CA 3.29Å; E786-L790 WeakPolarHBondContact O-CA 3.22Å; E786-L790 WeakPolarHBondContact O-CB 3.3Å; E786-L790 PolarHBondContact O-N 2.85Å; E786-W791 HydrophobicContact CB-CD2 4.26Å; E786-W791 HydrophobicContact CB-CH2 4.06Å; E786-W791 HydrophobicContact CB-CZ2 3.66Å; E786-W791 HydrophobicContact CG-CZ2 4.31Å; E786-W791 PolarHBondContact O-N 3.06Å; E786-I861 HydrophobicContact CG-CG2 4.31Å
787	Y	95.9	Very high	95.3	Very high	33 Å²	33	43.7 Å²	43.7	13%	0.129	22%	0.223	C	C	.	.	I	π-helix	trans	-64.3	-53.3	178.8	176.8	-102.1	0	0	0	111.3	F776 M779 H783 K784 Q785 W791 Q792 H958	F776-Y787 HydrophobicContact CE2-CD2 4.4Å; F776-Y787 HydrophobicContact CE2-CE2 4.24Å; F776-Y787 HydrophobicContact CZ-CE2 4.13Å; M779-Y787 HydrophobicContact CG-CG 4.22Å; M779-Y787 WeakPolarHBondContact SD-CB 3.36Å; M779-Y787 HydrophobicContact SD-CD1 3.5Å; M779-Y787 WeakPolarHBondContact SD-CD1 3.38Å; M779-Y787 HydrophobicContact SD-CD2 4.19Å; M779-Y787 HydrophobicContact SD-CE1 4.25Å; M779-Y787 HydrophobicContact SD-CG 3.45Å; H783-Y787 WeakPolarHBondContact O-CB 3.41Å; H783-Y787 PolarHBondContact O-N 3.19Å; K784-Y787 PolarHBondContact O-N 2.86Å; Q785-Y787 VanDerWaalsContact C-N 3.33Å; Y787-W791 HydrophobicContact CD2-CB 4.26Å; Y787-W791 HydrophobicContact CD2-CE3 4.09Å; Y787-W791 HydrophobicContact CG-CE3 4.48Å; Y787-W791 PolarHBondContact O-N 2.97Å; Y787-Q792 HydrophobicContact CD1-CB 4.19Å; Y787-Q792 HydrophobicContact CD2-CB 4.26Å; Y787-Q792 HydrophobicContact CE1-CB 3.86Å; Y787-Q792 HydrophobicContact CE1-CG 4.09Å; Y787-Q792 HydrophobicContact CE2-CB 3.92Å; Y787-Q792 HydrophobicContact CE2-CG 4.48Å; Y787-Q792 HydrophobicContact CG-CB 4.4Å; Y787-Q792 VanDerWaalsContact O-CB 3.27Å; Y787-Q792 WeakPolarHBondContact O-CB 3.38Å; Y787-Q792 PolarHBondContact O-N 2.99Å; Y787-H958 AromaticContact CE2-CE1 3.59Å; Y787-H958 AromaticContact CE2-NE2 3.83Å; Y787-H958 AromaticContact CZ-CE1 3.76Å; Y787-H958 AromaticContact CZ-NE2 3.74Å; Y787-H958 PolarHBondContact OH-NE2 2.97Å
788	E	96	Very high	95.3	Very high	107 Å²	107	47.7 Å²	47.7	50%	0.5	24%	0.244	S	C	.	.	I	π-helix	trans	-70.9	-34.4	-178.6	-68	179.2	176	0	0	112.5	K784 P793	K784-E788 WeakPolarHBondContact CE-OE1 3.32Å; K784-E788 HydrophobicContact CG-CG 4.36Å; K784-E788 WeakPolarHBondContact O-CB 3.49Å; K784-E788 WeakPolarHBondContact O-CG 3.27Å; K784-E788 PolarHBondContact O-N 2.91Å; E788-P793 VanDerWaalsContact O-CD 3.27Å; E788-P793 WeakPolarHBondContact O-CD 3.45Å; E788-P793 WeakPolarHBondContact O-CG 3.34Å
789	G	96.1	Very high	95.4	Very high	47 Å²	47	49.8 Å²	49.8	49%	0.485	25%	0.254	S	S	.	.	I	π-helix	trans	-86.4	-34.6	-177.5	0	0	0	0	0	114.5	Q785	Q785-G789 WeakPolarHBondContact O-CA 3.36Å; Q785-G789 PolarHBondContact O-N 2.55Å
790	L	96.4	Very high	95.4	Very high	45 Å²	45	52.8 Å²	52.8	24%	0.236	27%	0.268	C	S	.	.	I	π-helix	trans	-123	-47.2	-168.6	-53.1	174.8	0	0	0	112.8	E786 N794 Y858 H860 I861	E786-L790 HydrophobicContact CB-CD1 4.49Å; E786-L790 HydrophobicContact CG-CD1 4.37Å; E786-L790 CarbonylContact O-C 3.59Å; E786-L790 VanDerWaalsContact O-CA 3.29Å; E786-L790 WeakPolarHBondContact O-CA 3.22Å; E786-L790 WeakPolarHBondContact O-CB 3.3Å; E786-L790 PolarHBondContact O-N 2.85Å; L790-N794 VanDerWaalsContact O-CB 3.3Å; L790-N794 WeakPolarHBondContact O-CB 3.32Å; L790-N794 PolarHBondContact O-ND2 2.94Å; L790-Y858 PolarHBondContact O-OH 3.43Å; L790-H860 HydrophobicContact CD1-CB 4.35Å; L790-H860 HydrophobicContact CD2-CB 4.31Å; L790-I861 HydrophobicContact CD1-CG2 4.01Å
791	W	96.6	Very high	95.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-86.5	-51.4	-167.3	-52.4	-23	0	0	0	113.7	H783 E786 Y787 N794 H795 L796 I861 P863 L981	H783-W791 HydrophobicContact CB-CH2 3.57Å; H783-W791 HydrophobicContact CB-CZ3 3.68Å; H783-W791 AromaticContact CG-CH2 3.76Å; H783-W791 AromaticContact ND1-CH2 3.64Å; E786-W791 HydrophobicContact CB-CD2 4.26Å; E786-W791 HydrophobicContact CB-CH2 4.06Å; E786-W791 HydrophobicContact CB-CZ2 3.66Å; E786-W791 HydrophobicContact CG-CZ2 4.31Å; E786-W791 PolarHBondContact O-N 3.06Å; Y787-W791 HydrophobicContact CD2-CB 4.26Å; Y787-W791 HydrophobicContact CD2-CE3 4.09Å; Y787-W791 HydrophobicContact CG-CE3 4.48Å; Y787-W791 PolarHBondContact O-N 2.97Å; W791-N794 CarbonylContact O-C 3.56Å; W791-N794 PolarHBondContact O-N 2.78Å; W791-H795 PolarHBondContact O-N 3.44Å; W791-H795 VanDerWaalsContact O-N 3.13Å; W791-L796 HydrophobicContact CB-CB 4.31Å; W791-L796 HydrophobicContact CB-CD1 4.05Å; W791-L796 HydrophobicContact CB-CG 4.35Å; W791-L796 HydrophobicContact CG-CD1 4.06Å; W791-L796 PolarHBondContact O-N 2.94Å; W791-I861 PolarHBondContact NE1-O 3.21Å; W791-I861 VanDerWaalsContact NE1-O 3.16Å; W791-P863 HydrophobicContact CD2-CG 3.64Å; W791-P863 HydrophobicContact CE3-CG 3.82Å; W791-P863 HydrophobicContact CG-CG 4.11Å; W791-P863 HydrophobicContact CH2-CB 4.25Å; W791-P863 HydrophobicContact CH2-CG 4.2Å; W791-P863 HydrophobicContact CZ2-CB 4.34Å; W791-P863 HydrophobicContact CZ2-CG 4.04Å; W791-P863 HydrophobicContact CZ3-CB 4.35Å; W791-P863 HydrophobicContact CZ3-CG 4.1Å; W791-L981 HydrophobicContact CH2-CD2 4.02Å; W791-L981 HydrophobicContact CZ2-CD2 3.89Å
792	Q	96.5	Very high	95.6	Very high	85 Å²	85	58.5 Å²	58.5	40%	0.397	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-46.5	-177.9	-174.1	-142.6	34.1	0	0	112	Y787 N794 H795	Y787-Q792 HydrophobicContact CD1-CB 4.19Å; Y787-Q792 HydrophobicContact CD2-CB 4.26Å; Y787-Q792 HydrophobicContact CE1-CB 3.86Å; Y787-Q792 HydrophobicContact CE1-CG 4.09Å; Y787-Q792 HydrophobicContact CE2-CB 3.92Å; Y787-Q792 HydrophobicContact CE2-CG 4.48Å; Y787-Q792 HydrophobicContact CG-CB 4.4Å; Y787-Q792 VanDerWaalsContact O-CB 3.27Å; Y787-Q792 WeakPolarHBondContact O-CB 3.38Å; Y787-Q792 PolarHBondContact O-N 2.99Å; Q792-N794 PolarHBondContact O-N 2.84Å; Q792-H795 PolarHBondContact O-N 3.25Å
793	P	96.6	Very high	95.9	Very high	58 Å²	58	58.4 Å²	58.4	38%	0.377	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.9	178	-22.1	34.1	0	0	0	113.3	E788 H795 F828	E788-P793 VanDerWaalsContact O-CD 3.27Å; E788-P793 WeakPolarHBondContact O-CD 3.45Å; E788-P793 WeakPolarHBondContact O-CG 3.34Å; P793-H795 VanDerWaalsContact C-N 3.35Å; P793-F828 WeakPolarHBondContact O-CE2 3.49Å; P793-F828 VanDerWaalsContact O-CZ 3.28Å; P793-F828 WeakPolarHBondContact O-CZ 3.23Å
794	N	96.8	Very high	96.1	Very high	38 Å²	38	65.9 Å²	65.9	20%	0.203	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	11.6	177.5	-68	-79.1	0	0	0	113	L790 W791 Q792 L796 P825 F830 Y858	L790-N794 VanDerWaalsContact O-CB 3.3Å; L790-N794 WeakPolarHBondContact O-CB 3.32Å; L790-N794 PolarHBondContact O-ND2 2.94Å; W791-N794 CarbonylContact O-C 3.56Å; W791-N794 PolarHBondContact O-N 2.78Å; Q792-N794 PolarHBondContact O-N 2.84Å; N794-L796 VanDerWaalsContact C-N 3.29Å; N794-L796 PolarHBondContact O-N 2.89Å; N794-P825 VanDerWaalsContact O-CB 3.25Å; N794-P825 WeakPolarHBondContact O-CB 3.49Å; N794-F830 HydrophobicContact CB-CE1 4.46Å; N794-F830 HydrophobicContact CB-CZ 4.03Å; N794-Y858 HydrophobicContact CB-CD2 4.36Å; N794-Y858 HydrophobicContact CB-CE2 3.74Å
795	H	96.5	Very high	96.3	Very high	50 Å²	50	65 Å²	65	23%	0.231	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	30.8	172.5	-61	163.5	0	0	0	115.1	W791 Q792 P793 Q797 I798 M799 P825 P826 F828	W791-H795 PolarHBondContact O-N 3.44Å; W791-H795 VanDerWaalsContact O-N 3.13Å; Q792-H795 PolarHBondContact O-N 3.25Å; P793-H795 VanDerWaalsContact C-N 3.35Å; H795-Q797 PolarHBondContact O-N 3.35Å; H795-I798 HydrophobicContact CB-CD1 3.98Å; H795-I798 HydrophobicContact CB-CG1 3.69Å; H795-I798 PolarHBondContact O-N 2.88Å; H795-I798 VanDerWaalsContact O-N 3.17Å; H795-M799 PolarHBondContact O-N 2.76Å; H795-P825 HydrophobicContact CB-CB 3.69Å; H795-P826 HydrophobicContact CB-CG 4.24Å; H795-P826 PolarHBondContact ND1-O 3.26Å; H795-F828 HydrophobicContact CB-CE2 4.31Å; H795-F828 AromaticContact CE1-CE2 3.99Å; H795-F828 AromaticContact CG-CE2 3.87Å; H795-F828 AromaticContact ND1-CE2 3.55Å
796	L	96	Very high	96.5	Very high	6 Å²	6	59 Å²	59	3%	0.031	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-63.3	-29.2	-179.5	-61.4	-166.9	0	0	0	113	F776 W791 N794 I798 M799 F830 Y858 I862	F776-L796 HydrophobicContact CD2-CB 4.4Å; W791-L796 HydrophobicContact CB-CB 4.31Å; W791-L796 HydrophobicContact CB-CD1 4.05Å; W791-L796 HydrophobicContact CB-CG 4.35Å; W791-L796 HydrophobicContact CG-CD1 4.06Å; W791-L796 PolarHBondContact O-N 2.94Å; N794-L796 VanDerWaalsContact C-N 3.29Å; N794-L796 PolarHBondContact O-N 2.89Å; L796-I798 VanDerWaalsContact C-N 3.29Å; L796-I798 PolarHBondContact O-N 2.84Å; L796-M799 HydrophobicContact CD2-SD 4.24Å; L796-M799 WeakPolarHBondContact O-CG 3.11Å; L796-F830 HydrophobicContact CD2-CE2 4.09Å; L796-F830 HydrophobicContact CD2-CZ 4.26Å; L796-Y858 HydrophobicContact CD1-CE1 4.37Å; L796-I862 HydrophobicContact CD1-CG2 4.22Å
797	Q	94.9	Very high	96.6	Very high	53 Å²	53	57.4 Å²	57.4	25%	0.248	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-75	-13.3	178.4	77.6	-70.6	13.2	0	0	114.3	F776 H795	F776-Q797 HydrophobicContact CD1-CB 4Å; F776-Q797 HydrophobicContact CD2-CB 3.87Å; F776-Q797 HydrophobicContact CE1-CB 3.7Å; F776-Q797 HydrophobicContact CE2-CB 3.57Å; F776-Q797 HydrophobicContact CG-CB 4.09Å; F776-Q797 HydrophobicContact CZ-CB 3.48Å; F776-Q797 VanDerWaalsContact CZ-CB 3.48Å; H795-Q797 PolarHBondContact O-N 3.35Å
798	I	95.5	Very high	96.6	Very high	88 Å²	88	57.9 Å²	57.9	45%	0.451	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-126.1	27.1	-179.9	59.4	172.8	0	0	0	112.5	H795 L796 Q800 P826	H795-I798 HydrophobicContact CB-CD1 3.98Å; H795-I798 HydrophobicContact CB-CG1 3.69Å; H795-I798 PolarHBondContact O-N 2.88Å; H795-I798 VanDerWaalsContact O-N 3.17Å; L796-I798 VanDerWaalsContact C-N 3.29Å; L796-I798 PolarHBondContact O-N 2.84Å; I798-Q800 PolarHBondContact O-N 3.19Å; I798-P826 HydrophobicContact CD1-CG 3.64Å; I798-P826 HydrophobicContact CG1-CG 3.88Å; I798-P826 WeakPolarHBondContact O-CD 3.36Å
799	M	96.4	Very high	96.6	Very high	44 Å²	44	57.9 Å²	57.9	22%	0.217	30%	0.296	C	S	.	.			trans	-55.9	139.1	175.9	-67.5	178.7	87.1	0	0	111.5	F775 H795 L796 I823 A824 P825	F775-M799 HydrophobicContact CB-SD 4.01Å; F775-M799 HydrophobicContact CD2-CE 4.11Å; F775-M799 HydrophobicContact CD2-SD 4.22Å; H795-M799 PolarHBondContact O-N 2.76Å; L796-M799 HydrophobicContact CD2-SD 4.24Å; L796-M799 WeakPolarHBondContact O-CG 3.11Å; M799-I823 HydrophobicContact CB-CG2 4.14Å; M799-I823 HydrophobicContact CE-CG2 3.88Å; M799-I823 HydrophobicContact SD-CG2 4.44Å; M799-A824 WeakPolarHBondContact CA-O 3.18Å; M799-P825 HydrophobicContact CG-CB 4.28Å
800	Q	96.4	Very high	96.4	Very high	92 Å²	92	60.9 Å²	60.9	43%	0.43	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.5	-179.5	-60.7	178.5	-1.2	0	0	109.9	I798 H802 I823 A824	I798-Q800 PolarHBondContact O-N 3.19Å; Q800-H802 PolarHBondContact OE1-NE2 3.06Å; Q800-I823 VanDerWaalsContact O-CA 3.32Å; Q800-I823 WeakPolarHBondContact O-CA 3.39Å; Q800-A824 PolarHBondContact N-O 3.35Å; Q800-A824 PolarHBondContact O-N 3.34Å
801	E	96.9	Very high	96	Very high	50 Å²	50	61.4 Å²	61.4	23%	0.234	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.5	173.5	-173.3	162.4	-161.6	0	0	111.1	K755 T821 V822 I823 Y836	K755-E801 WeakPolarHBondContact CE-OE2 3.29Å; K755-E801 IonicContact NZ-OE2 3.37Å; K755-E801 PolarHBondContact NZ-OE2 3.13Å; E801-T821 HydrophobicContact CG-CG2 4.17Å; E801-T821 VanDerWaalsContact OE1-CB 3.3Å; E801-T821 WeakPolarHBondContact OE1-CB 3.45Å; E801-T821 WeakPolarHBondContact OE1-CG2 3.07Å; E801-T821 PolarHBondContact OE1-OG1 3.2Å; E801-V822 CarbonylContact C-O 3.31Å; E801-V822 WeakPolarHBondContact CA-O 3.47Å; E801-I823 HydrophobicContact CB-CG1 4.01Å; E801-I823 HydrophobicContact CG-CD1 4.35Å; E801-I823 HydrophobicContact CG-CG1 3.7Å; E801-Y836 WeakPolarHBondContact OE1-CE2 3.44Å; E801-Y836 VanDerWaalsContact OE1-CZ 3.27Å; E801-Y836 PolarHBondContact OE1-OH 3.27Å; E801-Y836 PolarHBondContact OE2-OH 3.44Å
802	H	96.6	Very high	95.4	Very high	75 Å²	75	69.8 Å²	69.8	35%	0.347	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.9	-178.7	-63.9	-94.8	0	0	0	110.4	Q800 T821 V822	Q800-H802 PolarHBondContact OE1-NE2 3.06Å; H802-T821 CarbonylContact O-C 3.55Å; H802-T821 WeakPolarHBondContact O-CA 3.41Å; H802-T821 WeakPolarHBondContact O-CB 3.44Å; H802-V822 PolarHBondContact N-O 3.05Å; H802-V822 PolarHBondContact O-N 3.07Å
803	L	98.1	Very high	94.8	Very high	40 Å²	40	67.7 Å²	67.7	21%	0.209	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.4	171.3	-172.6	66.9	0	0	0	110.4	K751 M752 D805 F806 T821	K751-L803 WeakPolarHBondContact O-CD2 3.11Å; M752-L803 WeakPolarHBondContact O-CD2 3.2Å; L803-D805 VanDerWaalsContact CD1-O 3.26Å; L803-D805 WeakPolarHBondContact CD1-O 3.49Å; L803-F806 HydrophobicContact CD2-CB 4.28Å; L803-T821 HydrophobicContact CD1-CG2 4Å
804	R	97.7	Very high	94.7	Very high	161 Å²	161	67.1 Å²	67.1	61%	0.608	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	-31.7	176.2	-61.6	-59.4	177.3	-136.1	1.7	112.5	R820 V822	R804-R820 WeakPolarHBondContact CA-O 3.49Å; R804-R820 WeakPolarHBondContact CB-O 3.21Å; R804-R820 PolarHBondContact N-O 3.39Å; R804-V822 HydrophobicContact CG-CG2 3.89Å
805	D	97.5	Very high	94.6	Very high	67 Å²	67	65.3 Å²	65.3	36%	0.358	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	145.3	-179.2	-176.4	49.3	0	0	0	110.6	L803 S819 R820	L803-D805 VanDerWaalsContact CD1-O 3.26Å; L803-D805 WeakPolarHBondContact CD1-O 3.49Å; D805-S819 WeakPolarHBondContact O-CA 3.21Å; D805-R820 HydrophobicContact CB-CB 4.08Å; D805-R820 HydrophobicContact CB-CG 4.37Å; D805-R820 PolarHBondContact N-O 2.67Å; D805-R820 PolarHBondContact O-N 2.68Å; D805-R820 IonicContact OD2-CZ 2.64Å; D805-R820 IonicContact OD2-NH1 3.77Å; D805-R820 PolarHBondContact OD2-NH1 2.66Å
806	F	97.8	Very high	94.7	Very high	38 Å²	38	64.2 Å²	64.2	17%	0.167	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	119	177.3	-176.6	-88.9	0	0	0	108.8	C738 F749 K751 L803 V808 I817 I818 S819	C738-F806 HydrophobicContact CB-CE1 4.24Å; C738-F806 HydrophobicContact CB-CZ 4.19Å; F749-F806 HydrophobicContact CB-CE2 4.15Å; F749-F806 HydrophobicContact CB-CZ 3.99Å; K751-F806 HydrophobicContact CD-CD1 4.47Å; K751-F806 HydrophobicContact CD-CE1 4.41Å; K751-F806 HydrophobicContact CG-CD1 3.91Å; K751-F806 HydrophobicContact CG-CE1 3.75Å; K751-F806 HydrophobicContact CG-CZ 4.25Å; L803-F806 HydrophobicContact CD2-CB 4.28Å; F806-V808 HydrophobicContact CD1-CG2 4.23Å; F806-V808 HydrophobicContact CE1-CG2 3.47Å; F806-V808 VanDerWaalsContact CE1-CG2 3.47Å; F806-V808 HydrophobicContact CZ-CG2 4.14Å; F806-I817 HydrophobicContact CD2-CG2 4.31Å; F806-I817 HydrophobicContact CE1-CG2 4.43Å; F806-I817 HydrophobicContact CE2-CG2 3.38Å; F806-I817 HydrophobicContact CZ-CG2 3.46Å; F806-I817 VanDerWaalsContact CZ-CG2 3.46Å; F806-I818 WeakPolarHBondContact CA-O 3.35Å; F806-S819 WeakPolarHBondContact CD2-OG 3.17Å
807	A	97	Very high	94.8	Very high	28 Å²	28	64 Å²	64	23%	0.231	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.7	-180	0	0	0	0	0	110.9	I818	A807-I818 HydrophobicContact CB-CB 4.35Å; A807-I818 PolarHBondContact N-O 2.83Å; A807-I818 PolarHBondContact O-N 3.08Å
808	V	96.6	Very high	94.9	Very high	43 Å²	43	62.2 Å²	62.2	26%	0.261	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.6	176.2	-176.9	0	0	0	0	108	L731 F806 V815 L816 I817	L731-V808 HydrophobicContact CD1-CG1 4.15Å; L731-V808 HydrophobicContact CD2-CG1 3.82Å; F806-V808 HydrophobicContact CD1-CG2 4.23Å; F806-V808 HydrophobicContact CE1-CG2 3.47Å; F806-V808 VanDerWaalsContact CE1-CG2 3.47Å; F806-V808 HydrophobicContact CZ-CG2 4.14Å; V808-V815 HydrophobicContact CG1-CG1 3.97Å; V808-L816 WeakPolarHBondContact CA-O 3.17Å; V808-I817 HydrophobicContact CB-CD1 4.21Å; V808-I817 HydrophobicContact CG1-CD1 3.78Å; V808-I817 HydrophobicContact CG2-CD1 3.68Å
809	E	95.4	Very high	95.1	Very high	107 Å²	107	58 Å²	58	50%	0.5	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.2	175	-56.7	178.6	-177.3	0	0	108.4	V815 L816	E809-V815 CarbonylContact O-C 3.59Å; E809-V815 WeakPolarHBondContact O-CA 3.41Å; E809-L816 HydrophobicContact CB-CB 4.21Å; E809-L816 PolarHBondContact N-O 2.82Å; E809-L816 PolarHBondContact O-N 3.5Å
810	Q	92.1	Very high	95.2	Very high	110 Å²	110	61.5 Å²	61.5	51%	0.514	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.6	175.7	-176.7	172.3	20.3	0	0	109	L729 V815	L729-Q810 PolarHBondContact O-NE2 3.38Å; Q810-V815 HydrophobicContact CB-CG2 4.36Å; Q810-V815 HydrophobicContact CG-CG2 4.01Å
811	S	89	Confident	95.3	Very high	56 Å²	56	57.3 Å²	57.3	39%	0.392	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	175.8	171	64	0	0	0	0	109.5	G813 E814	S811-G813 PolarHBondContact O-N 3.45Å; S811-E814 PolarHBondContact N-O 3.23Å; S811-E814 PolarHBondContact O-N 3.05Å; S811-E814 VanDerWaalsContact O-O 3.06Å; S811-E814 WeakPolarHBondContact OG-CG 3.39Å; S811-E814 PolarHBondContact OG-OE1 3.32Å
812	D	82.5	Confident	95.3	Very high	176 Å²	176	55.8 Å²	55.8	94%	0.941	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	102.7	-177.1	-80.1	-18.4	0	0	0	111.2
813	G	85.3	Confident	95.4	Very high	41 Å²	41	52.6 Å²	52.6	42%	0.423	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-4.9	174.7	0	0	0	0	0	116	S811 A842	S811-G813 PolarHBondContact O-N 3.45Å; G813-A842 PolarHBondContact O-N 3.19Å
814	E	93	Very high	95.3	Very high	47 Å²	47	51.2 Å²	51.2	22%	0.22	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.9	-179.2	63.4	-179.6	-170.6	0	0	113.1	S811 R839 I840	S811-E814 PolarHBondContact N-O 3.23Å; S811-E814 PolarHBondContact O-N 3.05Å; S811-E814 VanDerWaalsContact O-O 3.06Å; S811-E814 WeakPolarHBondContact OG-CG 3.39Å; S811-E814 PolarHBondContact OG-OE1 3.32Å; E814-R839 IonicContact OE1-CZ 3.19Å; E814-R839 IonicContact OE1-NE 2.85Å; E814-R839 IonicContact OE1-NH2 2.85Å; E814-R839 PolarHBondContact OE1-NH2 2.8Å; E814-R839 IonicContact OE2-CZ 2.8Å; E814-R839 VanDerWaalsContact OE2-CZ 3.23Å; E814-R839 IonicContact OE2-NE 3.12Å; E814-R839 PolarHBondContact OE2-NE 2.96Å; E814-R839 IonicContact OE2-NH2 3.93Å; E814-R839 PolarHBondContact OE2-NH2 3.22Å; E814-I840 CarbonylContact C-O 3.59Å; E814-I840 VanDerWaalsContact CA-O 3.24Å; E814-I840 WeakPolarHBondContact CA-O 3.37Å
815	V	96.5	Very high	95.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.3	169.7	176.8	0	0	0	0	108.4	L729 L731 V740 V808 E809 Q810 I817 I840	L729-V815 HydrophobicContact CB-CG2 4.28Å; L729-V815 HydrophobicContact CD1-CB 4.35Å; L729-V815 HydrophobicContact CD1-CG2 3.91Å; L731-V815 HydrophobicContact CD1-CG1 4.18Å; V740-V815 HydrophobicContact CG1-CB 4.18Å; V740-V815 HydrophobicContact CG1-CG2 4.04Å; V740-V815 HydrophobicContact CG2-CB 4.18Å; V740-V815 HydrophobicContact CG2-CG1 3.79Å; V740-V815 HydrophobicContact CG2-CG2 4.47Å; V808-V815 HydrophobicContact CG1-CG1 3.97Å; E809-V815 CarbonylContact O-C 3.59Å; E809-V815 WeakPolarHBondContact O-CA 3.41Å; Q810-V815 HydrophobicContact CB-CG2 4.36Å; Q810-V815 HydrophobicContact CG-CG2 4.01Å; V815-I817 HydrophobicContact CG1-CD1 3.91Å; V815-I817 HydrophobicContact CG1-CG1 4.42Å; V815-I840 PolarHBondContact N-O 3.49Å; V815-I840 PolarHBondContact O-N 3.3Å
816	L	97.2	Very high	95.2	Very high	27 Å²	27	42 Å²	42	14%	0.141	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.1	170.4	-55.6	-179.1	0	0	0	109.5	V808 E809 W838 R839	V808-L816 WeakPolarHBondContact CA-O 3.17Å; E809-L816 HydrophobicContact CB-CB 4.21Å; E809-L816 PolarHBondContact N-O 2.82Å; E809-L816 PolarHBondContact O-N 3.5Å; L816-W838 CarbonylContact C-O 3.46Å; L816-W838 VanDerWaalsContact CA-O 3.26Å; L816-W838 WeakPolarHBondContact CA-O 3.38Å; L816-R839 HydrophobicContact CD2-CB 3.54Å; L816-R839 HydrophobicContact CD2-CG 3.79Å
817	I	97.9	Very high	95.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.9	166.6	-50.4	-65.1	0	0	0	107.8	V740 F749 F806 V808 V815 W838 I840	V740-I817 HydrophobicContact CG2-CD1 4.45Å; F749-I817 HydrophobicContact CB-CG2 4.47Å; F749-I817 HydrophobicContact CD1-CB 4.27Å; F749-I817 HydrophobicContact CD1-CG1 4.35Å; F749-I817 HydrophobicContact CD1-CG2 3.77Å; F749-I817 HydrophobicContact CD2-CD1 4.42Å; F749-I817 HydrophobicContact CD2-CG1 3.9Å; F749-I817 HydrophobicContact CE1-CB 4.17Å; F749-I817 HydrophobicContact CE1-CG1 4.25Å; F749-I817 HydrophobicContact CE1-CG2 4.14Å; F749-I817 HydrophobicContact CE2-CG1 3.82Å; F749-I817 HydrophobicContact CG-CG1 4.18Å; F749-I817 HydrophobicContact CG-CG2 4.02Å; F749-I817 HydrophobicContact CZ-CB 4.36Å; F749-I817 HydrophobicContact CZ-CG1 4Å; F806-I817 HydrophobicContact CD2-CG2 4.31Å; F806-I817 HydrophobicContact CE1-CG2 4.43Å; F806-I817 HydrophobicContact CE2-CG2 3.38Å; F806-I817 HydrophobicContact CZ-CG2 3.46Å; F806-I817 VanDerWaalsContact CZ-CG2 3.46Å; V808-I817 HydrophobicContact CB-CD1 4.21Å; V808-I817 HydrophobicContact CG1-CD1 3.78Å; V808-I817 HydrophobicContact CG2-CD1 3.68Å; V815-I817 HydrophobicContact CG1-CD1 3.91Å; V815-I817 HydrophobicContact CG1-CG1 4.42Å; I817-W838 HydrophobicContact CB-CB 4.13Å; I817-W838 PolarHBondContact N-O 2.78Å; I817-W838 PolarHBondContact O-N 2.77Å; I817-I840 HydrophobicContact CG1-CD1 4.3Å
818	I	98.3	Very high	95	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.5	-177	-54.4	170.3	0	0	0	108.7	F806 A807 T835 Y836 I837	F806-I818 WeakPolarHBondContact CA-O 3.35Å; A807-I818 HydrophobicContact CB-CB 4.35Å; A807-I818 PolarHBondContact N-O 2.83Å; A807-I818 PolarHBondContact O-N 3.08Å; I818-T835 HydrophobicContact CG2-CG2 4.13Å; I818-Y836 WeakPolarHBondContact CA-O 3.34Å; I818-I837 HydrophobicContact CG1-CG1 4.49Å; I818-I837 HydrophobicContact CG1-CG2 4.39Å; I818-I837 HydrophobicContact CG2-CG1 4.42Å
819	S	98.2	Very high	94.9	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.8	178.1	-58.7	0	0	0	0	109.7	G754 D805 F806 T835 Y836	G754-S819 WeakPolarHBondContact CA-OG 3.1Å; G754-S819 WeakPolarHBondContact O-CB 3.33Å; G754-S819 PolarHBondContact O-OG 3.15Å; D805-S819 WeakPolarHBondContact O-CA 3.21Å; F806-S819 WeakPolarHBondContact CD2-OG 3.17Å; S819-T835 WeakPolarHBondContact O-CA 3.49Å; S819-Y836 PolarHBondContact N-O 3.16Å; S819-Y836 PolarHBondContact O-N 2.83Å
820	R	98.5	Very high	95	Very high	116 Å²	116	48.1 Å²	48.1	44%	0.438	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.4	173.5	-58.7	178.7	173.3	97.2	3.2	108.8	R804 D805 C834 T835	R804-R820 WeakPolarHBondContact CA-O 3.49Å; R804-R820 WeakPolarHBondContact CB-O 3.21Å; R804-R820 PolarHBondContact N-O 3.39Å; D805-R820 HydrophobicContact CB-CB 4.08Å; D805-R820 HydrophobicContact CB-CG 4.37Å; D805-R820 PolarHBondContact N-O 2.67Å; D805-R820 PolarHBondContact O-N 2.68Å; D805-R820 IonicContact OD2-CZ 2.64Å; D805-R820 IonicContact OD2-NH1 3.77Å; D805-R820 PolarHBondContact OD2-NH1 2.66Å; R820-C834 WeakPolarHBondContact CA-O 3.42Å; R820-T835 HydrophobicContact CG-CG2 4.35Å
821	T	98.2	Very high	95.2	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	166.4	-175.9	73.1	0	0	0	0	111.3	E801 H802 L803 C834 Y836	E801-T821 HydrophobicContact CG-CG2 4.17Å; E801-T821 VanDerWaalsContact OE1-CB 3.3Å; E801-T821 WeakPolarHBondContact OE1-CB 3.45Å; E801-T821 WeakPolarHBondContact OE1-CG2 3.07Å; E801-T821 PolarHBondContact OE1-OG1 3.2Å; H802-T821 CarbonylContact O-C 3.55Å; H802-T821 WeakPolarHBondContact O-CA 3.41Å; H802-T821 WeakPolarHBondContact O-CB 3.44Å; L803-T821 HydrophobicContact CD1-CG2 4Å; T821-C834 PolarHBondContact N-O 3.14Å; T821-C834 PolarHBondContact O-N 2.62Å; T821-Y836 HydrophobicContact CG2-CD2 4.23Å; T821-Y836 HydrophobicContact CG2-CE2 3.95Å
822	V	98	Very high	95.6	Very high	19 Å²	19	42.2 Å²	42.2	12%	0.115	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.9	167	177	0	0	0	0	107.7	E801 H802 R804 A824 M832 R833 Y855	E801-V822 CarbonylContact C-O 3.31Å; E801-V822 WeakPolarHBondContact CA-O 3.47Å; H802-V822 PolarHBondContact N-O 3.05Å; H802-V822 PolarHBondContact O-N 3.07Å; R804-V822 HydrophobicContact CG-CG2 3.89Å; V822-A824 HydrophobicContact CG1-CB 4.21Å; V822-M832 WeakPolarHBondContact CA-O 3.34Å; V822-R833 HydrophobicContact CG2-CG 4.43Å; V822-Y855 HydrophobicContact CG1-CE1 3.78Å
823	I	97.7	Very high	96.3	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.1	173.2	-56	178.6	0	0	0	107.7	I773 F775 M799 Q800 E801 G831 M832 C834	I773-I823 HydrophobicContact CB-CD1 3.64Å; I773-I823 HydrophobicContact CG2-CD1 3.89Å; F775-I823 HydrophobicContact CD2-CG2 3.9Å; F775-I823 HydrophobicContact CE2-CB 4.1Å; F775-I823 HydrophobicContact CE2-CD1 4.06Å; F775-I823 HydrophobicContact CE2-CG2 3.97Å; M799-I823 HydrophobicContact CB-CG2 4.14Å; M799-I823 HydrophobicContact CE-CG2 3.88Å; M799-I823 HydrophobicContact SD-CG2 4.44Å; Q800-I823 VanDerWaalsContact O-CA 3.32Å; Q800-I823 WeakPolarHBondContact O-CA 3.39Å; E801-I823 HydrophobicContact CB-CG1 4.01Å; E801-I823 HydrophobicContact CG-CD1 4.35Å; E801-I823 HydrophobicContact CG-CG1 3.7Å; I823-G831 WeakPolarHBondContact O-CA 3.48Å; I823-M832 PolarHBondContact N-O 2.79Å; I823-M832 PolarHBondContact O-N 3.34Å; I823-C834 HydrophobicContact CD1-CB 4.42Å
824	A	97.6	Very high	97	Very high	11 Å²	11	38 Å²	38	9%	0.091	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	146.8	-174.4	0	0	0	0	0	111.3	M799 Q800 V822 F830 Y855	M799-A824 WeakPolarHBondContact CA-O 3.18Å; Q800-A824 PolarHBondContact N-O 3.35Å; Q800-A824 PolarHBondContact O-N 3.34Å; V822-A824 HydrophobicContact CG1-CB 4.21Å; A824-F830 WeakPolarHBondContact CB-O 3.44Å; A824-Y855 WeakPolarHBondContact CB-OH 3.09Å
825	P	97.2	Very high	97.2	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.032	19%	0.187	C	C	.	.			trans	-62.8	148.6	168.7	24.7	-30.2	0	0	0	111.1	N794 H795 M799 F828 F830	N794-P825 VanDerWaalsContact O-CB 3.25Å; N794-P825 WeakPolarHBondContact O-CB 3.49Å; H795-P825 HydrophobicContact CB-CB 3.69Å; M799-P825 HydrophobicContact CG-CB 4.28Å; P825-F828 HydrophobicContact CB-CD2 4.2Å; P825-F828 HydrophobicContact CG-CB 4.2Å; P825-F828 HydrophobicContact CG-CD2 4.22Å; P825-F830 HydrophobicContact CG-CD2 4.27Å; P825-F830 HydrophobicContact CG-CE1 3.94Å; P825-F830 HydrophobicContact CG-CE2 3.59Å; P825-F830 HydrophobicContact CG-CZ 3.4Å
826	P	95.5	Very high	97.3	Very high	29 Å²	29	37.3 Å²	37.3	19%	0.188	19%	0.187	C	C	.	.	S	Bend	trans	-62.3	155.7	166	28.7	-33.9	0	0	0	110.2	H795 I798 F828	H795-P826 HydrophobicContact CB-CG 4.24Å; H795-P826 PolarHBondContact ND1-O 3.26Å; I798-P826 HydrophobicContact CD1-CG 3.64Å; I798-P826 HydrophobicContact CG1-CG 3.88Å; I798-P826 WeakPolarHBondContact O-CD 3.36Å; P826-F828 VanDerWaalsContact O-CD2 3.31Å; P826-F828 WeakPolarHBondContact O-CD2 3.3Å; P826-F828 PolarHBondContact O-N 3.26Å
827	V	94.6	Very high	97.4	Very high	127 Å²	127	39 Å²	39	77%	0.77	20%	0.196	S	C	*	.	S	Bend	trans	78.1	-30	176.8	-172.5	0	0	0	0	115.5
828	F	95	Very high	97.4	Very high	74 Å²	74	39.4 Å²	39.4	33%	0.325	20%	0.197	S	C	.	.			trans	-103.9	160.2	-172.5	-57.3	-78.7	0	0	0	114.2	P793 H795 P825 P826 F830	P793-F828 WeakPolarHBondContact O-CE2 3.49Å; P793-F828 VanDerWaalsContact O-CZ 3.28Å; P793-F828 WeakPolarHBondContact O-CZ 3.23Å; H795-F828 HydrophobicContact CB-CE2 4.31Å; H795-F828 AromaticContact CE1-CE2 3.99Å; H795-F828 AromaticContact CG-CE2 3.87Å; H795-F828 AromaticContact ND1-CE2 3.55Å; P825-F828 HydrophobicContact CB-CD2 4.2Å; P825-F828 HydrophobicContact CG-CB 4.2Å; P825-F828 HydrophobicContact CG-CD2 4.22Å; P826-F828 VanDerWaalsContact O-CD2 3.31Å; P826-F828 WeakPolarHBondContact O-CD2 3.3Å; P826-F828 PolarHBondContact O-N 3.26Å; F828-F830 HydrophobicContact CB-CD1 3.61Å; F828-F830 HydrophobicContact CB-CE1 3.48Å; F828-F830 VanDerWaalsContact CB-CE1 3.48Å; F828-F830 HydrophobicContact CB-CZ 4.44Å; F828-F830 HydrophobicContact CD1-CE1 4.32Å; F828-F830 HydrophobicContact CD2-CE1 4.21Å; F828-F830 HydrophobicContact CG-CD1 4.33Å; F828-F830 AromaticContact CG-CE1 3.76Å; F828-F830 HydrophobicContact CG-CE1 3.76Å
829	D	95.2	Very high	97.3	Very high	130 Å²	130	43.9 Å²	43.9	70%	0.695	21%	0.213	S	C	*	.	S	Bend	trans	-102.4	23.4	-177.5	71.2	-27	0	0	0	113.8	Y855 G856	D829-Y855 WeakPolarHBondContact O-CD2 3.43Å; D829-Y855 VanDerWaalsContact O-CE2 3.27Å; D829-Y855 WeakPolarHBondContact O-CE2 3.18Å; D829-G856 WeakPolarHBondContact O-CA 3.28Å
830	F	97.3	Very high	97.2	Very high	14 Å²	14	43.9 Å²	43.9	6%	0.061	21%	0.213	C	C	.	.			trans	-117.2	162.9	171.4	74.1	-94.9	0	0	0	111.7	N794 L796 A824 P825 F828 Y855 Y858	N794-F830 HydrophobicContact CB-CE1 4.46Å; N794-F830 HydrophobicContact CB-CZ 4.03Å; L796-F830 HydrophobicContact CD2-CE2 4.09Å; L796-F830 HydrophobicContact CD2-CZ 4.26Å; A824-F830 WeakPolarHBondContact CB-O 3.44Å; P825-F830 HydrophobicContact CG-CD2 4.27Å; P825-F830 HydrophobicContact CG-CE1 3.94Å; P825-F830 HydrophobicContact CG-CE2 3.59Å; P825-F830 HydrophobicContact CG-CZ 3.4Å; F828-F830 HydrophobicContact CB-CD1 3.61Å; F828-F830 HydrophobicContact CB-CE1 3.48Å; F828-F830 VanDerWaalsContact CB-CE1 3.48Å; F828-F830 HydrophobicContact CB-CZ 4.44Å; F828-F830 HydrophobicContact CD1-CE1 4.32Å; F828-F830 HydrophobicContact CD2-CE1 4.21Å; F828-F830 HydrophobicContact CG-CD1 4.33Å; F828-F830 AromaticContact CG-CE1 3.76Å; F828-F830 HydrophobicContact CG-CE1 3.76Å; F830-Y855 CarbonylContact C-O 3.52Å; F830-Y855 VanDerWaalsContact CA-O 3.24Å; F830-Y855 WeakPolarHBondContact CA-O 3.41Å; F830-Y855 WeakPolarHBondContact CB-O 3.35Å; F830-Y855 PolarHBondContact O-OH 2.83Å; F830-Y858 HydrophobicContact CD2-CG 4.14Å; F830-Y858 HydrophobicContact CE1-CD2 4.07Å; F830-Y858 AromaticContact CE2-CD2 3.94Å; F830-Y858 HydrophobicContact CE2-CD2 3.94Å; F830-Y858 AromaticContact CE2-CG 3.86Å; F830-Y858 HydrophobicContact CE2-CG 3.86Å; F830-Y858 AromaticContact CZ-CD2 3.69Å; F830-Y858 HydrophobicContact CZ-CD2 3.69Å; F830-Y858 HydrophobicContact CZ-CE2 4.31Å; F830-Y858 HydrophobicContact CZ-CG 4.11Å
831	G	96.7	Very high	96.9	Very high	5 Å²	5	39.4 Å²	39.4	5%	0.052	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-160.7	176.5	0	0	0	0	0	112.8	I823 R854 Y855	I823-G831 WeakPolarHBondContact O-CA 3.48Å; G831-R854 CarbonylContact O-C 3.52Å; G831-R854 WeakPolarHBondContact O-CA 3.21Å; G831-Y855 VanDerWaalsContact C-CD1 3.44Å; G831-Y855 VanDerWaalsContact CA-CE1 3.47Å; G831-Y855 PolarHBondContact N-O 3.34Å; G831-Y855 VanDerWaalsContact O-CD1 3.26Å; G831-Y855 WeakPolarHBondContact O-CD1 3.1Å; G831-Y855 PolarHBondContact O-N 2.92Å
832	M	97.4	Very high	96.6	Very high	37 Å²	37	40.1 Å²	40.1	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.6	-176.5	-70.8	-60.3	-51.5	0	0	110.8	F775 V822 I823 G852 E853 R854	F775-M832 HydrophobicContact CE1-CG 4.23Å; F775-M832 HydrophobicContact CE2-CB 3.86Å; F775-M832 HydrophobicContact CE2-CG 3.78Å; F775-M832 HydrophobicContact CZ-CB 3.91Å; F775-M832 HydrophobicContact CZ-CG 3.58Å; V822-M832 WeakPolarHBondContact CA-O 3.34Å; I823-M832 PolarHBondContact N-O 2.79Å; I823-M832 PolarHBondContact O-N 3.34Å; M832-G852 VanDerWaalsContact CE-CA 3.49Å; M832-E853 VanDerWaalsContact CE-N 3.32Å; M832-R854 WeakPolarHBondContact SD-CA 3.2Å; M832-R854 HydrophobicContact SD-CB 3.55Å; M832-R854 VanDerWaalsContact SD-CB 3.55Å
833	R	98.1	Very high	96.2	Very high	126 Å²	126	41 Å²	41	48%	0.475	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	109.7	166.6	-63.6	-170.7	-178	98.7	7.6	108.1	V822 G852 E853 Y855	V822-R833 HydrophobicContact CG2-CG 4.43Å; R833-G852 CarbonylContact O-C 3.59Å; R833-G852 VanDerWaalsContact O-CA 3.28Å; R833-G852 WeakPolarHBondContact O-CA 3.35Å; R833-E853 PolarHBondContact N-O 3.34Å; R833-E853 PolarHBondContact O-N 3.07Å; R833-Y855 HydrophobicContact CG-CD1 3.93Å; R833-Y855 HydrophobicContact CG-CE1 4.41Å
834	C	98.2	Very high	95.7	Very high	2 Å²	2	42 Å²	42	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	149.8	-172	-64	0	0	0	0	111.4	I773 R820 T821 I823 Y836 S851	I773-C834 HydrophobicContact CD1-CB 3.74Å; R820-C834 WeakPolarHBondContact CA-O 3.42Å; T821-C834 PolarHBondContact N-O 3.14Å; T821-C834 PolarHBondContact O-N 2.62Å; I823-C834 HydrophobicContact CD1-CB 4.42Å; C834-Y836 HydrophobicContact CB-CE2 4.33Å; C834-S851 CarbonylContact C-O 3.57Å; C834-S851 VanDerWaalsContact CA-O 3.31Å; C834-S851 WeakPolarHBondContact CA-O 3.43Å
835	T	98.5	Very high	95.4	Very high	32 Å²	32	45.1 Å²	45.1	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129	170.5	-57.5	0	0	0	0	109.2	I818 S819 R820 I837 S851	I818-T835 HydrophobicContact CG2-CG2 4.13Å; S819-T835 WeakPolarHBondContact O-CA 3.49Å; R820-T835 HydrophobicContact CG-CG2 4.35Å; T835-I837 HydrophobicContact CG2-CD1 4.39Å; T835-I837 HydrophobicContact CG2-CG1 3.94Å; T835-S851 PolarHBondContact N-O 3Å; T835-S851 PolarHBondContact O-N 2.91Å; T835-S851 VanDerWaalsContact O-N 3.14Å
836	Y	98.4	Very high	95.3	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.7	170.2	-58.3	-108.3	0	0	0	107.9	I773 E801 I818 S819 T821 C834 L850 F867	I773-Y836 WeakPolarHBondContact CB-OH 3.31Å; I773-Y836 HydrophobicContact CD1-CE1 3.99Å; I773-Y836 HydrophobicContact CD1-CE2 3.99Å; I773-Y836 HydrophobicContact CG1-CE1 3.79Å; I773-Y836 PolarHBondContact N-OH 3.37Å; E801-Y836 WeakPolarHBondContact OE1-CE2 3.44Å; E801-Y836 VanDerWaalsContact OE1-CZ 3.27Å; E801-Y836 PolarHBondContact OE1-OH 3.27Å; E801-Y836 PolarHBondContact OE2-OH 3.44Å; I818-Y836 WeakPolarHBondContact CA-O 3.34Å; S819-Y836 PolarHBondContact N-O 3.16Å; S819-Y836 PolarHBondContact O-N 2.83Å; T821-Y836 HydrophobicContact CG2-CD2 4.23Å; T821-Y836 HydrophobicContact CG2-CE2 3.95Å; C834-Y836 HydrophobicContact CB-CE2 4.33Å; Y836-L850 HydrophobicContact CD1-CD2 3.25Å; Y836-L850 HydrophobicContact CE1-CD2 3.74Å; Y836-L850 HydrophobicContact CG-CD2 3.94Å; Y836-F867 HydrophobicContact CD1-CE2 4.41Å; Y836-F867 HydrophobicContact CE1-CE2 4.02Å
837	I	98.1	Very high	95.3	Very high	64 Å²	64	48.9 Å²	48.9	33%	0.328	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	107.9	172.3	-54.8	177.1	0	0	0	107.4	I818 T835 V848 A849	I818-I837 HydrophobicContact CG1-CG1 4.49Å; I818-I837 HydrophobicContact CG1-CG2 4.39Å; I818-I837 HydrophobicContact CG2-CG1 4.42Å; T835-I837 HydrophobicContact CG2-CD1 4.39Å; T835-I837 HydrophobicContact CG2-CG1 3.94Å; I837-V848 WeakPolarHBondContact O-CA 3.34Å; I837-A849 HydrophobicContact CB-CB 4.31Å; I837-A849 PolarHBondContact N-O 3.22Å; I837-A849 PolarHBondContact O-N 2.94Å
838	W	97.8	Very high	95.4	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.5	175.4	-61.3	83.9	0	0	0	109.1	F749 P756 W759 P771 L816 I817 V846 V848 F867	F749-W838 HydrophobicContact CE1-CB 4.11Å; F749-W838 AromaticContact CE1-CD1 3.78Å; F749-W838 AromaticContact CE1-CD2 3.88Å; F749-W838 HydrophobicContact CE1-CD2 3.88Å; F749-W838 AromaticContact CE1-CG 3.66Å; F749-W838 HydrophobicContact CE1-CG 3.66Å; F749-W838 HydrophobicContact CZ-CB 4.07Å; F749-W838 HydrophobicContact CZ-CD2 4.22Å; F749-W838 HydrophobicContact CZ-CE3 4.5Å; F749-W838 HydrophobicContact CZ-CG 4.03Å; P756-W838 HydrophobicContact CG-CH2 3.77Å; P756-W838 HydrophobicContact CG-CZ2 3.76Å; P756-W838 HydrophobicContact CG-CZ3 4.27Å; W759-W838 HydrophobicContact CZ3-CZ3 4.23Å; P771-W838 HydrophobicContact CB-CH2 4.06Å; P771-W838 HydrophobicContact CB-CZ2 4.17Å; P771-W838 HydrophobicContact CG-CH2 3.91Å; P771-W838 HydrophobicContact CG-CZ2 4.28Å; L816-W838 CarbonylContact C-O 3.46Å; L816-W838 VanDerWaalsContact CA-O 3.26Å; L816-W838 WeakPolarHBondContact CA-O 3.38Å; I817-W838 HydrophobicContact CB-CB 4.13Å; I817-W838 PolarHBondContact N-O 2.78Å; I817-W838 PolarHBondContact O-N 2.77Å; W838-V846 HydrophobicContact CE3-CG1 3.7Å; W838-V846 HydrophobicContact CZ3-CG1 4.1Å; W838-V848 HydrophobicContact CD2-CB 4.41Å; W838-V848 HydrophobicContact CD2-CG2 4.04Å; W838-V848 HydrophobicContact CE3-CB 4.11Å; W838-V848 HydrophobicContact CE3-CG2 4.19Å; W838-V848 HydrophobicContact CH2-CG2 4.21Å; W838-V848 HydrophobicContact CZ2-CG2 4.07Å; W838-V848 HydrophobicContact CZ3-CB 4.16Å; W838-V848 HydrophobicContact CZ3-CG2 4.27Å; W838-F867 HydrophobicContact CH2-CE1 4.47Å; W838-F867 AromaticContact CH2-CZ 3.82Å; W838-F867 HydrophobicContact CH2-CZ 3.82Å; W838-F867 AromaticContact CZ2-CZ 3.94Å; W838-F867 HydrophobicContact CZ2-CZ 3.94Å
839	R	96.6	Very high	95.5	Very high	111 Å²	111	44.8 Å²	44.8	42%	0.419	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.2	173.7	171	178.8	-109.9	161.4	-4.7	109.3	E814 L816 V846 N847	E814-R839 IonicContact OE1-CZ 3.19Å; E814-R839 IonicContact OE1-NE 2.85Å; E814-R839 IonicContact OE1-NH2 2.85Å; E814-R839 PolarHBondContact OE1-NH2 2.8Å; E814-R839 IonicContact OE2-CZ 2.8Å; E814-R839 VanDerWaalsContact OE2-CZ 3.23Å; E814-R839 IonicContact OE2-NE 3.12Å; E814-R839 PolarHBondContact OE2-NE 2.96Å; E814-R839 IonicContact OE2-NH2 3.93Å; E814-R839 PolarHBondContact OE2-NH2 3.22Å; L816-R839 HydrophobicContact CD2-CB 3.54Å; L816-R839 HydrophobicContact CD2-CG 3.79Å; R839-V846 WeakPolarHBondContact O-CA 3.18Å; R839-N847 HydrophobicContact CB-CB 4.23Å; R839-N847 PolarHBondContact N-O 3.35Å; R839-N847 PolarHBondContact O-N 3.17Å
840	I	96.2	Very high	95.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.9	-179.1	-56.7	158.9	0	0	0	107.5	L729 V740 F745 I747 F749 E814 V815 I817 V846	L729-I840 HydrophobicContact CD1-CG2 4.28Å; L729-I840 VanDerWaalsContact CD1-O 3.22Å; L729-I840 WeakPolarHBondContact CD1-O 3.39Å; V740-I840 HydrophobicContact CB-CD1 3.99Å; V740-I840 HydrophobicContact CG1-CB 4.37Å; V740-I840 HydrophobicContact CG1-CD1 4.25Å; V740-I840 HydrophobicContact CG1-CG2 3.86Å; V740-I840 HydrophobicContact CG2-CD1 3.78Å; F745-I840 HydrophobicContact CE2-CG2 3.98Å; F745-I840 HydrophobicContact CZ-CG2 4.48Å; I747-I840 HydrophobicContact CD1-CD1 4.33Å; I747-I840 HydrophobicContact CD1-CG1 4.31Å; I747-I840 HydrophobicContact CD1-CG2 4.43Å; F749-I840 HydrophobicContact CE2-CD1 3.56Å; F749-I840 HydrophobicContact CZ-CD1 3.84Å; E814-I840 CarbonylContact C-O 3.59Å; E814-I840 VanDerWaalsContact CA-O 3.24Å; E814-I840 WeakPolarHBondContact CA-O 3.37Å; V815-I840 PolarHBondContact N-O 3.49Å; V815-I840 PolarHBondContact O-N 3.3Å; I817-I840 HydrophobicContact CG1-CD1 4.3Å; I840-V846 HydrophobicContact CG1-CG1 4.4Å; I840-V846 HydrophobicContact CG1-CG2 4.36Å; I840-V846 HydrophobicContact CG2-CG2 4.5Å
841	A	93.1	Very high	95.6	Very high	22 Å²	22	44.3 Å²	44.3	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	155.2	179.8	0	0	0	0	0	111.6	D843 G844 Q845	A841-D843 WeakPolarHBondContact CB-OD1 3.41Å; A841-D843 PolarHBondContact O-N 2.84Å; A841-D843 VanDerWaalsContact O-N 3.12Å; A841-G844 PolarHBondContact O-N 3.39Å; A841-Q845 PolarHBondContact N-O 3.05Å
842	A	91.4	Very high	95.5	Very high	20 Å²	20	46.4 Å²	46.4	17%	0.165	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.4	-179.9	0	0	0	0	0	114.4	A726 L729 G813 G844	A726-A842 WeakPolarHBondContact CB-O 3.33Å; L729-A842 HydrophobicContact CG-CB 4.2Å; G813-A842 PolarHBondContact O-N 3.19Å; A842-G844 VanDerWaalsContact C-N 3.29Å
843	D	88.8	Confident	95.5	Very high	37 Å²	37	51 Å²	51	20%	0.198	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.8	174.3	66	-6.2	0	0	0	113.7	F721 P723 A841 Q845	F721-D843 HydrophobicContact CD1-CB 4.31Å; F721-D843 WeakPolarHBondContact CE1-O 3.48Å; P723-D843 VanDerWaalsContact CD-CB 3.43Å; P723-D843 HydrophobicContact CG-CB 3.59Å; P723-D843 WeakPolarHBondContact CG-O 3.23Å; A841-D843 WeakPolarHBondContact CB-OD1 3.41Å; A841-D843 PolarHBondContact O-N 2.84Å; A841-D843 VanDerWaalsContact O-N 3.12Å; D843-Q845 WeakPolarHBondContact OD1-CB 2.96Å; D843-Q845 PolarHBondContact OD1-N 3.19Å; D843-Q845 WeakPolarHBondContact OD2-CG 3.45Å; D843-Q845 PolarHBondContact OD2-NE2 3.35Å
844	G	88.8	Confident	95.3	Very high	28 Å²	28	53.6 Å²	53.6	29%	0.289	30%	0.298	S	S	.	.	S	Bend	trans	92.7	-0.8	-177.1	0	0	0	0	0	114.6	A841 A842	A841-G844 PolarHBondContact O-N 3.39Å; A842-G844 VanDerWaalsContact C-N 3.29Å
845	Q	91.1	Very high	95.3	Very high	76 Å²	76	56 Å²	56	36%	0.355	31%	0.307	S	S	.	.			trans	-68.7	138.5	170	-67.8	-174.8	47.9	0	0	110.8	F721 A841 D843	F721-Q845 HydrophobicContact CD1-CG 4.16Å; A841-Q845 PolarHBondContact N-O 3.05Å; D843-Q845 WeakPolarHBondContact OD1-CB 2.96Å; D843-Q845 PolarHBondContact OD1-N 3.19Å; D843-Q845 WeakPolarHBondContact OD2-CG 3.45Å; D843-Q845 PolarHBondContact OD2-NE2 3.35Å
846	V	94.8	Very high	95.1	Very high	34 Å²	34	56.8 Å²	56.8	21%	0.206	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	114.3	174.5	-178.4	0	0	0	0	108.3	I747 W759 W838 R839 I840	I747-V846 HydrophobicContact CD1-CG2 3.51Å; W759-V846 HydrophobicContact CH2-CB 3.63Å; W759-V846 HydrophobicContact CH2-CG1 3.82Å; W759-V846 HydrophobicContact CH2-CG2 3.72Å; W759-V846 HydrophobicContact CZ2-CB 3.88Å; W759-V846 HydrophobicContact CZ2-CG1 4.43Å; W759-V846 HydrophobicContact CZ2-CG2 3.46Å; W759-V846 VanDerWaalsContact CZ2-CG2 3.46Å; W759-V846 HydrophobicContact CZ3-CG1 4.37Å; W838-V846 HydrophobicContact CE3-CG1 3.7Å; W838-V846 HydrophobicContact CZ3-CG1 4.1Å; R839-V846 WeakPolarHBondContact O-CA 3.18Å; I840-V846 HydrophobicContact CG1-CG1 4.4Å; I840-V846 HydrophobicContact CG1-CG2 4.36Å; I840-V846 HydrophobicContact CG2-CG2 4.5Å
847	N	95.1	Very high	94.7	Very high	80 Å²	80	62.8 Å²	62.8	43%	0.428	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.8	175.4	-71.4	-88	0	0	0	108.8	R839	R839-N847 HydrophobicContact CB-CB 4.23Å; R839-N847 PolarHBondContact N-O 3.35Å; R839-N847 PolarHBondContact O-N 3.17Å
848	V	96.4	Very high	94.5	Very high	60 Å²	60	61.1 Å²	61.1	36%	0.364	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.1	175.4	64.9	0	0	0	0	109.6	I837 W838 L850 F867	I837-V848 WeakPolarHBondContact O-CA 3.34Å; W838-V848 HydrophobicContact CD2-CB 4.41Å; W838-V848 HydrophobicContact CD2-CG2 4.04Å; W838-V848 HydrophobicContact CE3-CB 4.11Å; W838-V848 HydrophobicContact CE3-CG2 4.19Å; W838-V848 HydrophobicContact CH2-CG2 4.21Å; W838-V848 HydrophobicContact CZ2-CG2 4.07Å; W838-V848 HydrophobicContact CZ3-CB 4.16Å; W838-V848 HydrophobicContact CZ3-CG2 4.27Å; V848-L850 HydrophobicContact CG2-CD2 3.69Å; V848-L850 HydrophobicContact CG2-CG 4.1Å; V848-F867 HydrophobicContact CG1-CE1 4.25Å; V848-F867 HydrophobicContact CG2-CZ 4.41Å
849	A	97.5	Very high	94.2	Very high	54 Å²	54	65 Å²	65	45%	0.446	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.5	169.7	0	0	0	0	0	109.2	I837	I837-A849 HydrophobicContact CB-CB 4.31Å; I837-A849 PolarHBondContact N-O 3.22Å; I837-A849 PolarHBondContact O-N 2.94Å
850	L	96.9	Very high	94.1	Very high	65 Å²	65	64.4 Å²	64.4	34%	0.34	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.8	-178.2	-55.7	174.8	0	0	0	108.7	I773 Y836 V848 F867	I773-L850 HydrophobicContact CD1-CB 4.27Å; I773-L850 HydrophobicContact CD1-CD2 4.23Å; I773-L850 HydrophobicContact CG1-CB 4.49Å; I773-L850 HydrophobicContact CG1-CD1 4.12Å; I773-L850 HydrophobicContact CG1-CD2 4.2Å; Y836-L850 HydrophobicContact CD1-CD2 3.25Å; Y836-L850 HydrophobicContact CE1-CD2 3.74Å; Y836-L850 HydrophobicContact CG-CD2 3.94Å; V848-L850 HydrophobicContact CG2-CD2 3.69Å; V848-L850 HydrophobicContact CG2-CG 4.1Å; L850-F867 HydrophobicContact CD1-CB 3.78Å; L850-F867 HydrophobicContact CD1-CD1 4.17Å; L850-F867 HydrophobicContact CD1-CD2 3.5Å; L850-F867 VanDerWaalsContact CD1-CD2 3.5Å; L850-F867 HydrophobicContact CD1-CE2 4.04Å; L850-F867 HydrophobicContact CD1-CG 3.56Å; L850-F867 HydrophobicContact CD2-CD2 4.46Å; L850-F867 HydrophobicContact CD2-CE2 4.28Å
851	S	97.2	Very high	94	Very high	70 Å²	70	68 Å²	68	49%	0.49	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.2	174.9	62.4	0	0	0	0	110.4	C834 T835	C834-S851 CarbonylContact C-O 3.57Å; C834-S851 VanDerWaalsContact CA-O 3.31Å; C834-S851 WeakPolarHBondContact CA-O 3.43Å; T835-S851 PolarHBondContact N-O 3Å; T835-S851 PolarHBondContact O-N 2.91Å; T835-S851 VanDerWaalsContact O-N 3.14Å
852	G	95.6	Very high	94.1	Very high	48 Å²	48	69.6 Å²	69.6	50%	0.495	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.2	177.5	0	0	0	0	0	112.6	M832 R833	M832-G852 VanDerWaalsContact CE-CA 3.49Å; R833-G852 CarbonylContact O-C 3.59Å; R833-G852 VanDerWaalsContact O-CA 3.28Å; R833-G852 WeakPolarHBondContact O-CA 3.35Å
853	E	96.7	Very high	94.2	Very high	133 Å²	133	68.7 Å²	68.7	62%	0.621	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	125	169.1	-172.8	-174.7	178.4	0	0	109.8	M832 R833	M832-E853 VanDerWaalsContact CE-N 3.32Å; R833-E853 PolarHBondContact N-O 3.34Å; R833-E853 PolarHBondContact O-N 3.07Å
854	R	95.3	Very high	94.6	Very high	182 Å²	182	67 Å²	67	69%	0.687	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	146.7	178	70.1	177	-175.5	160.6	2.1	111.5	G831 M832	G831-R854 CarbonylContact O-C 3.52Å; G831-R854 WeakPolarHBondContact O-CA 3.21Å; M832-R854 WeakPolarHBondContact SD-CA 3.2Å; M832-R854 HydrophobicContact SD-CB 3.55Å; M832-R854 VanDerWaalsContact SD-CB 3.55Å
855	Y	96.8	Very high	95	Very high	52 Å²	52	68.4 Å²	68.4	20%	0.204	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.3	167.4	75.5	-88.8	0	0	0	110.4	V822 A824 D829 F830 G831 R833	V822-Y855 HydrophobicContact CG1-CE1 3.78Å; A824-Y855 WeakPolarHBondContact CB-OH 3.09Å; D829-Y855 WeakPolarHBondContact O-CD2 3.43Å; D829-Y855 VanDerWaalsContact O-CE2 3.27Å; D829-Y855 WeakPolarHBondContact O-CE2 3.18Å; F830-Y855 CarbonylContact C-O 3.52Å; F830-Y855 VanDerWaalsContact CA-O 3.24Å; F830-Y855 WeakPolarHBondContact CA-O 3.41Å; F830-Y855 WeakPolarHBondContact CB-O 3.35Å; F830-Y855 PolarHBondContact O-OH 2.83Å; G831-Y855 VanDerWaalsContact C-CD1 3.44Å; G831-Y855 VanDerWaalsContact CA-CE1 3.47Å; G831-Y855 PolarHBondContact N-O 3.34Å; G831-Y855 VanDerWaalsContact O-CD1 3.26Å; G831-Y855 WeakPolarHBondContact O-CD1 3.1Å; G831-Y855 PolarHBondContact O-N 2.92Å; R833-Y855 HydrophobicContact CG-CD1 3.93Å; R833-Y855 HydrophobicContact CG-CE1 4.41Å
856	G	95.6	Very high	95.2	Very high	48 Å²	48	65.1 Å²	65.1	50%	0.495	36%	0.364	S	S	.	.	S	Bend	trans	71.5	-171.3	-171.8	0	0	0	0	0	112	D829	D829-G856 WeakPolarHBondContact O-CA 3.28Å
857	D	89.4	Confident	95.3	Very high	128 Å²	128	64.1 Å²	64.1	68%	0.684	36%	0.357	S	S	*	.			trans	-117.9	102.4	-177.4	-167.9	20.2	0	0	0	110.6
858	Y	93.9	Very high	95.4	Very high	29 Å²	29	60.9 Å²	60.9	11%	0.114	34%	0.34	C	S	.	.			trans	-136	92.9	166.4	-176.3	-93.6	0	0	0	107.2	L790 N794 L796 F830 H860 I861 I862	L790-Y858 PolarHBondContact O-OH 3.43Å; N794-Y858 HydrophobicContact CB-CD2 4.36Å; N794-Y858 HydrophobicContact CB-CE2 3.74Å; L796-Y858 HydrophobicContact CD1-CE1 4.37Å; F830-Y858 HydrophobicContact CD2-CG 4.14Å; F830-Y858 HydrophobicContact CE1-CD2 4.07Å; F830-Y858 AromaticContact CE2-CD2 3.94Å; F830-Y858 HydrophobicContact CE2-CD2 3.94Å; F830-Y858 AromaticContact CE2-CG 3.86Å; F830-Y858 HydrophobicContact CE2-CG 3.86Å; F830-Y858 AromaticContact CZ-CD2 3.69Å; F830-Y858 HydrophobicContact CZ-CD2 3.69Å; F830-Y858 HydrophobicContact CZ-CE2 4.31Å; F830-Y858 HydrophobicContact CZ-CG 4.11Å; Y858-H860 VanDerWaalsContact C-N 3.26Å; Y858-H860 HydrophobicContact CD1-CB 4.35Å; Y858-H860 HydrophobicContact CE1-CB 3.74Å; Y858-H860 WeakPolarHBondContact CE1-O 3.45Å; Y858-H860 HydrophobicContact CE2-CB 4.22Å; Y858-H860 PolarHBondContact O-N 3.13Å; Y858-I861 PolarHBondContact OH-O 2.98Å; Y858-I862 HydrophobicContact CD1-CG2 4.33Å; Y858-I862 HydrophobicContact CE1-CG2 3.81Å
859	P	92.1	Very high	95.5	Very high	89 Å²	89	58.5 Å²	58.5	58%	0.578	33%	0.326	S	S	*	.			trans	-91.1	21.2	-173.4	37.1	-36.7	0	0	0	112.9
860	H	94	Very high	95.5	Very high	98 Å²	98	56 Å²	56	45%	0.454	30%	0.304	S	S	.	.	S	Bend	trans	-107.8	166.8	-174.2	-58.5	-68.7	0	0	0	112.2	L790 Y858	L790-H860 HydrophobicContact CD1-CB 4.35Å; L790-H860 HydrophobicContact CD2-CB 4.31Å; Y858-H860 VanDerWaalsContact C-N 3.26Å; Y858-H860 HydrophobicContact CD1-CB 4.35Å; Y858-H860 HydrophobicContact CE1-CB 3.74Å; Y858-H860 WeakPolarHBondContact CE1-O 3.45Å; Y858-H860 HydrophobicContact CE2-CB 4.22Å; Y858-H860 PolarHBondContact O-N 3.13Å
861	I	93.5	Very high	95.6	Very high	76 Å²	76	52.9 Å²	52.9	39%	0.39	29%	0.288	S	S	.	.			trans	-64.3	146.1	178	-161	164.3	0	0	0	111.3	E786 L790 W791 Y858 L981	E786-I861 HydrophobicContact CG-CG2 4.31Å; L790-I861 HydrophobicContact CD1-CG2 4.01Å; W791-I861 PolarHBondContact NE1-O 3.21Å; W791-I861 VanDerWaalsContact NE1-O 3.16Å; Y858-I861 PolarHBondContact OH-O 2.98Å; I861-L981 HydrophobicContact CD1-CD1 3.33Å; I861-L981 HydrophobicContact CD1-CD2 4.04Å; I861-L981 HydrophobicContact CD1-CG 4.35Å; I861-L981 HydrophobicContact CG1-CD1 4.18Å
862	I	94.6	Very high	95.6	Very high	55 Å²	55	51.1 Å²	51.1	28%	0.282	27%	0.273	S	S	.	.			trans	-117.7	149.8	174.5	59.8	173.5	0	0	0	110.3	F775 L796 Y858 C864 I865	F775-I862 HydrophobicContact CD1-CD1 4.13Å; L796-I862 HydrophobicContact CD1-CG2 4.22Å; Y858-I862 HydrophobicContact CD1-CG2 4.33Å; Y858-I862 HydrophobicContact CE1-CG2 3.81Å; I862-C864 PolarHBondContact O-N 3.07Å; I862-I865 HydrophobicContact CD1-CD1 4.14Å; I862-I865 HydrophobicContact CD1-CG1 3.66Å
863	P	95.2	Very high	95.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-64.5	-39.2	-174.3	-19.9	26.8	0	0	0	114.9	F775 F776 K777 W791 L981	F775-P863 WeakPolarHBondContact O-CD 3.22Å; F776-P863 HydrophobicContact CD2-CG 4.03Å; K777-P863 HydrophobicContact CD-CB 4.38Å; K777-P863 HydrophobicContact CG-CB 3.75Å; W791-P863 HydrophobicContact CD2-CG 3.64Å; W791-P863 HydrophobicContact CE3-CG 3.82Å; W791-P863 HydrophobicContact CG-CG 4.11Å; W791-P863 HydrophobicContact CH2-CB 4.25Å; W791-P863 HydrophobicContact CH2-CG 4.2Å; W791-P863 HydrophobicContact CZ2-CB 4.34Å; W791-P863 HydrophobicContact CZ2-CG 4.04Å; W791-P863 HydrophobicContact CZ3-CB 4.35Å; W791-P863 HydrophobicContact CZ3-CG 4.1Å; P863-L981 PolarHBondContact O-N 2.86Å
864	C	96.3	Very high	95.6	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.02	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	165.9	-179.4	72	0	0	0	0	112.2	F775 F776 I862 Q979 L980	F775-C864 WeakPolarHBondContact CA-O 3.46Å; F776-C864 VanDerWaalsContact C-SG 3.51Å; F776-C864 PolarHBondContact N-SG 3.42Å; F776-C864 VanDerWaalsContact N-SG 3.37Å; F776-C864 PolarHBondContact O-SG 3.24Å; I862-C864 PolarHBondContact O-N 3.07Å; C864-Q979 CarbonylContact C-O 3.05Å; C864-Q979 WeakPolarHBondContact CA-O 3.35Å; C864-L980 HydrophobicContact CB-CD1 3.78Å
865	I	96.4	Very high	95.8	Very high	57 Å²	57	40.4 Å²	40.4	29%	0.292	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	104.4	161.5	-58.7	175.4	0	0	0	106.3	F775 I862 H978 Q979	F775-I865 HydrophobicContact CD1-CG1 4.26Å; F775-I865 HydrophobicContact CE1-CG1 4.33Å; F775-I865 HydrophobicContact CE1-CG2 4.12Å; I862-I865 HydrophobicContact CD1-CD1 4.14Å; I862-I865 HydrophobicContact CD1-CG1 3.66Å; I865-H978 HydrophobicContact CG2-CB 4.44Å; I865-H978 WeakPolarHBondContact O-CB 3.27Å; I865-H978 PolarHBondContact O-N 2.9Å; I865-Q979 HydrophobicContact CB-CB 4.4Å; I865-Q979 PolarHBondContact N-O 3.23Å; I865-Q979 PolarHBondContact O-N 2.96Å
866	G	96.4	Very high	95.8	Very high	6 Å²	6	39.5 Å²	39.5	6%	0.062	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	176	-167.5	0	0	0	0	0	116.1	I773 N774 D977	I773-G866 CarbonylContact C-O 3.58Å; I773-G866 VanDerWaalsContact CA-O 3.32Å; I773-G866 WeakPolarHBondContact CA-O 3.35Å; N774-G866 PolarHBondContact N-O 3.26Å; N774-G866 PolarHBondContact O-N 3.5Å; G866-D977 WeakPolarHBondContact CA-OD1 3.24Å
867	F	97.5	Very high	95.9	Very high	13 Å²	13	40.2 Å²	40.2	6%	0.057	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	110.6	174.7	-175.5	-121.9	0	0	0	109.3	P771 K772 Y836 W838 V848 L850 L976	P771-F867 HydrophobicContact CB-CE1 4.03Å; P771-F867 HydrophobicContact CB-CE2 3.55Å; P771-F867 HydrophobicContact CB-CZ 3.22Å; P771-F867 HydrophobicContact CG-CZ 4.33Å; K772-F867 WeakPolarHBondContact O-CA 3.32Å; K772-F867 WeakPolarHBondContact O-CD2 3.44Å; Y836-F867 HydrophobicContact CD1-CE2 4.41Å; Y836-F867 HydrophobicContact CE1-CE2 4.02Å; W838-F867 HydrophobicContact CH2-CE1 4.47Å; W838-F867 AromaticContact CH2-CZ 3.82Å; W838-F867 HydrophobicContact CH2-CZ 3.82Å; W838-F867 AromaticContact CZ2-CZ 3.94Å; W838-F867 HydrophobicContact CZ2-CZ 3.94Å; V848-F867 HydrophobicContact CG1-CE1 4.25Å; V848-F867 HydrophobicContact CG2-CZ 4.41Å; L850-F867 HydrophobicContact CD1-CB 3.78Å; L850-F867 HydrophobicContact CD1-CD1 4.17Å; L850-F867 HydrophobicContact CD1-CD2 3.5Å; L850-F867 VanDerWaalsContact CD1-CD2 3.5Å; L850-F867 HydrophobicContact CD1-CE2 4.04Å; L850-F867 HydrophobicContact CD1-CG 3.56Å; L850-F867 HydrophobicContact CD2-CD2 4.46Å; L850-F867 HydrophobicContact CD2-CE2 4.28Å; F867-L976 HydrophobicContact CB-CB 4.46Å; F867-L976 HydrophobicContact CD1-CD1 4.27Å; F867-L976 PolarHBondContact N-O 2.62Å; F867-L976 VanDerWaalsContact N-O 3.07Å; F867-L976 PolarHBondContact O-N 3.06Å
868	T	97.4	Very high	96.4	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.074	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.1	-174.4	-58.3	0	0	0	0	110.3	P771 K772 N774 T973 L974 N975	P771-T868 CarbonylContact C-O 3.56Å; P771-T868 VanDerWaalsContact CA-O 3.26Å; P771-T868 WeakPolarHBondContact CA-O 3.43Å; K772-T868 PolarHBondContact N-O 3.15Å; K772-T868 PolarHBondContact O-N 2.65Å; N774-T868 PolarHBondContact ND2-OG1 3.01Å; T868-T973 HydrophobicContact CG2-CG2 3.64Å; T868-L974 CarbonylContact C-O 3.56Å; T868-L974 VanDerWaalsContact CA-O 3.3Å; T868-L974 WeakPolarHBondContact CA-O 3.45Å; T868-N975 WeakPolarHBondContact CG2-OD1 3.35Å; T868-N975 PolarHBondContact OG1-OD1 3.49Å
869	M	97.3	Very high	96.6	Very high	11 Å²	11	34 Å²	34	5%	0.054	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.9	174.3	61.7	-170.2	-62.7	0	0	111.9	L766 L767 P771 I871 L937 L974	L766-M869 HydrophobicContact CD2-CE 4.25Å; L767-M869 HydrophobicContact CD1-CB 4.4Å; L767-M869 HydrophobicContact CD1-CE 3.43Å; L767-M869 VanDerWaalsContact CD1-CE 3.43Å; P771-M869 HydrophobicContact CB-CB 3.85Å; P771-M869 HydrophobicContact CG-CB 3.85Å; P771-M869 HydrophobicContact CG-CE 4.08Å; M869-I871 HydrophobicContact CE-CG2 3.9Å; M869-I871 HydrophobicContact CG-CG2 4.06Å; M869-I871 HydrophobicContact SD-CG2 4.37Å; M869-L937 HydrophobicContact SD-CD2 4.45Å; M869-L974 HydrophobicContact CG-CB 4.04Å; M869-L974 HydrophobicContact CG-CD2 4.1Å; M869-L974 HydrophobicContact CG-CG 4.31Å; M869-L974 PolarHBondContact N-O 2.88Å; M869-L974 PolarHBondContact O-N 2.88Å; M869-L974 HydrophobicContact SD-CD2 4.13Å
870	G	97.9	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.9	169.1	0	0	0	0	0	110	L767 T768 R769 I972	L767-G870 WeakPolarHBondContact CD1-O 3.21Å; T768-G870 PolarHBondContact N-O 3.14Å; T768-G870 WeakPolarHBondContact OG1-CA 3.38Å; T768-G870 PolarHBondContact OG1-O 2.85Å; T768-G870 VanDerWaalsContact OG1-O 3.13Å; R769-G870 PolarHBondContact N-O 2.99Å; R769-G870 PolarHBondContact O-N 2.87Å; G870-I972 CarbonylContact C-O 3.59Å; G870-I972 WeakPolarHBondContact CA-O 3.47Å
871	I	98	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	159	175.6	69.3	173.9	0	0	0	111.3	L766 T768 M869 G873 Y875 L929 L937 D971 I972 L974	L766-I871 HydrophobicContact CD2-CG2 4.33Å; L766-I871 CarbonylContact O-C 3.47Å; L766-I871 WeakPolarHBondContact O-CA 3.3Å; T768-I871 PolarHBondContact OG1-N 2.96Å; M869-I871 HydrophobicContact CE-CG2 3.9Å; M869-I871 HydrophobicContact CG-CG2 4.06Å; M869-I871 HydrophobicContact SD-CG2 4.37Å; I871-G873 PolarHBondContact O-N 2.86Å; I871-Y875 HydrophobicContact CD1-CD2 4.42Å; I871-L929 HydrophobicContact CD1-CB 4Å; I871-L929 HydrophobicContact CD1-CD2 3.85Å; I871-L929 HydrophobicContact CD1-CG 4.39Å; I871-L937 HydrophobicContact CG2-CD2 4.23Å; I871-D971 WeakPolarHBondContact O-CB 3.18Å; I871-I972 HydrophobicContact CD1-CB 4.34Å; I871-I972 HydrophobicContact CD1-CG2 4.24Å; I871-I972 HydrophobicContact CG1-CB 3.72Å; I871-I972 HydrophobicContact CG1-CG2 4.03Å; I871-I972 PolarHBondContact N-O 3.23Å; I871-I972 PolarHBondContact O-N 3.05Å; I871-L974 HydrophobicContact CD1-CB 4.45Å; I871-L974 HydrophobicContact CD1-CD2 4.34Å; I871-L974 HydrophobicContact CG2-CB 4.48Å; I871-L974 HydrophobicContact CG2-CD2 4.31Å
872	N	97.5	Very high	97.3	Very high	33 Å²	33	21.9 Å²	21.9	18%	0.176	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.5	124.9	177.4	-175	-18.9	0	0	0	111.9	S765 L766 E874 Y875	S765-N872 WeakPolarHBondContact O-CB 3.32Å; S765-N872 PolarHBondContact O-ND2 2.79Å; S765-N872 VanDerWaalsContact O-ND2 3.07Å; L766-N872 PolarHBondContact O-N 3.13Å; N872-E874 PolarHBondContact O-N 2.98Å; N872-E874 VanDerWaalsContact O-N 3.16Å; N872-E874 WeakPolarHBondContact OD1-CB 2.89Å; N872-E874 PolarHBondContact OD1-N 2.8Å; N872-Y875 HydrophobicContact CB-CD2 3.88Å; N872-Y875 HydrophobicContact CB-CE2 3.77Å; N872-Y875 HydrophobicContact CB-CG 4.29Å; N872-Y875 WeakPolarHBondContact O-CB 3.34Å; N872-Y875 PolarHBondContact O-N 3.38Å
873	G	97.3	Very high	97.5	Very high	14 Å²	14	21.6 Å²	21.6	14%	0.144	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.4	-176.7	0	0	0	0	0	114.8	I871 Y875 D970	I871-G873 PolarHBondContact O-N 2.86Å; G873-Y875 PolarHBondContact O-N 3.12Å; G873-D970 WeakPolarHBondContact CA-O 3.44Å
874	E	96.6	Very high	97.6	Very high	121 Å²	121	21.6 Å²	21.6	57%	0.565	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.9	172.2	-63.4	-172.8	163.7	0	0	113	N872 D876 N931	N872-E874 PolarHBondContact O-N 2.98Å; N872-E874 VanDerWaalsContact O-N 3.16Å; N872-E874 WeakPolarHBondContact OD1-CB 2.89Å; N872-E874 PolarHBondContact OD1-N 2.8Å; E874-D876 PolarHBondContact O-N 3.5Å; E874-N931 HydrophobicContact CB-CB 4.31Å; E874-N931 WeakPolarHBondContact O-CA 3.08Å; E874-N931 VanDerWaalsContact O-CB 3.28Å; E874-N931 WeakPolarHBondContact O-CB 3.27Å
875	Y	97.5	Very high	97.5	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.016	14%	0.136	C	C	.	.			trans	-81.2	47.7	177.4	-60.1	-20.6	0	0	0	112.4	L766 I871 N872 G873 T930 N931 N935 I972	L766-Y875 HydrophobicContact CB-CE2 4.31Å; L766-Y875 HydrophobicContact CG-CE2 4.06Å; I871-Y875 HydrophobicContact CD1-CD2 4.42Å; N872-Y875 HydrophobicContact CB-CD2 3.88Å; N872-Y875 HydrophobicContact CB-CE2 3.77Å; N872-Y875 HydrophobicContact CB-CG 4.29Å; N872-Y875 WeakPolarHBondContact O-CB 3.34Å; N872-Y875 PolarHBondContact O-N 3.38Å; G873-Y875 PolarHBondContact O-N 3.12Å; Y875-T930 CarbonylContact C-O 3.53Å; Y875-T930 VanDerWaalsContact C-O 3.31Å; Y875-T930 WeakPolarHBondContact CA-O 3.46Å; Y875-N931 HydrophobicContact CD1-CB 4.03Å; Y875-N931 HydrophobicContact CE1-CB 4.4Å; Y875-N935 WeakPolarHBondContact CD1-O 3.42Å; Y875-N935 WeakPolarHBondContact CE1-O 3.21Å; Y875-I972 WeakPolarHBondContact O-CD1 3.41Å
876	D	97.5	Very high	97.5	Very high	33 Å²	33	23.7 Å²	23.7	18%	0.176	13%	0.134	C	C	.	.			trans	-83.3	-13.1	-170.7	70.2	-11.4	0	0	0	114.3	E874 T904 V905 T930	E874-D876 PolarHBondContact O-N 3.5Å; D876-T904 CarbonylContact O-C 3.52Å; D876-T904 WeakPolarHBondContact O-CA 3.33Å; D876-T904 WeakPolarHBondContact O-CB 3.36Å; D876-V905 PolarHBondContact O-N 2.88Å; D876-T930 PolarHBondContact N-O 2.89Å
877	Q	98.6	Very high	97.5	Very high	63 Å²	63	24.1 Å²	24.1	29%	0.294	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.2	177.6	-52.3	-58	-63.4	0	0	110	L929 T930	Q877-L929 CarbonylContact O-C 3.35Å; Q877-L929 WeakPolarHBondContact O-CA 3.15Å; Q877-T930 WeakPolarHBondContact CA-O 3.37Å; Q877-T930 WeakPolarHBondContact CB-O 3.31Å; Q877-T930 WeakPolarHBondContact CG-O 3.37Å; Q877-T930 PolarHBondContact N-O 3.09Å; Q877-T930 PolarHBondContact O-N 3.37Å
878	V	98.5	Very high	97.6	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.024	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.5	-175.3	-172.6	0	0	0	0	110.4	Y880 R902 S903 V905 M908 A928 L929 F947	V878-Y880 HydrophobicContact CG1-CD1 4.13Å; V878-R902 CarbonylContact O-C 3.47Å; V878-R902 WeakPolarHBondContact O-CA 3.19Å; V878-S903 PolarHBondContact N-O 3.13Å; V878-S903 PolarHBondContact O-N 3.06Å; V878-S903 VanDerWaalsContact O-O 3.13Å; V878-V905 HydrophobicContact CG2-CG2 3.77Å; V878-M908 HydrophobicContact CB-SD 4.07Å; V878-M908 HydrophobicContact CG1-SD 3.75Å; V878-M908 HydrophobicContact CG2-SD 4.11Å; V878-A928 CarbonylContact C-O 3.58Å; V878-A928 WeakPolarHBondContact CA-O 3.44Å; V878-L929 HydrophobicContact CG2-CD2 4.18Å; V878-L929 HydrophobicContact CG2-CG 4.25Å; V878-F947 HydrophobicContact CG1-CE1 3.82Å; V878-F947 HydrophobicContact CG1-CZ 3.76Å
879	A	98.4	Very high	97.6	Very high	22 Å²	22	23 Å²	23	18%	0.182	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.3	162.1	0	0	0	0	0	109.3	W901 R902 W926 T927 A928	A879-W901 CarbonylContact C-O 3.14Å; A879-W901 VanDerWaalsContact CA-O 3.25Å; A879-W901 WeakPolarHBondContact CA-O 3.43Å; A879-R902 HydrophobicContact CB-CG 4.26Å; A879-W926 HydrophobicContact CB-CH2 4.2Å; A879-W926 HydrophobicContact CB-CZ3 4Å; A879-W926 VanDerWaalsContact O-CZ3 3.3Å; A879-W926 WeakPolarHBondContact O-CZ3 3.44Å; A879-T927 CarbonylContact O-C 3.5Å; A879-T927 WeakPolarHBondContact O-CA 3.43Å; A879-A928 PolarHBondContact N-O 3.3Å; A879-A928 PolarHBondContact O-N 3.03Å
880	Y	98.3	Very high	97.5	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.2	178.8	68.7	-87.9	0	0	0	111.8	V878 R883 I900 W901 M908 R921 V924 W926 F947	V878-Y880 HydrophobicContact CG1-CD1 4.13Å; Y880-R883 WeakPolarHBondContact CE2-O 3.33Å; Y880-R883 PolarHBondContact OH-O 2.84Å; Y880-I900 WeakPolarHBondContact O-CA 3.26Å; Y880-W901 HydrophobicContact CD1-CB 4.12Å; Y880-W901 HydrophobicContact CE1-CB 3.59Å; Y880-W901 HydrophobicContact CE1-CG 4.3Å; Y880-W901 HydrophobicContact CE2-CB 4.11Å; Y880-W901 AromaticContact CE2-CD1 3.39Å; Y880-W901 HydrophobicContact CE2-CG 4.05Å; Y880-W901 AromaticContact CZ-CD1 3.55Å; Y880-W901 AromaticContact CZ-CG 3.77Å; Y880-W901 PolarHBondContact N-O 2.77Å; Y880-W901 PolarHBondContact O-N 2.79Å; Y880-M908 HydrophobicContact CE1-CE 4.28Å; Y880-M908 HydrophobicContact CE1-SD 4.47Å; Y880-R921 HydrophobicContact CE1-CG 4.32Å; Y880-R921 HydrophobicContact CE2-CB 4.1Å; Y880-R921 HydrophobicContact CE2-CG 4.02Å; Y880-R921 VanDerWaalsContact OH-CD 3.26Å; Y880-R921 WeakPolarHBondContact OH-CD 3.31Å; Y880-R921 PolarHBondContact OH-NE 2.91Å; Y880-R921 VanDerWaalsContact OH-NE 3.16Å; Y880-V924 HydrophobicContact CD2-CG2 4.1Å; Y880-W926 VanDerWaalsContact CA-O 3.31Å; Y880-W926 WeakPolarHBondContact CA-O 3.41Å; Y880-F947 HydrophobicContact CD1-CE1 4.3Å
881	Y	98.3	Very high	97.4	Very high	6 Å²	6	25.8 Å²	25.8	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	104.9	170.6	-176.3	-155.9	0	0	0	110	E649 E682 I898 D899 I900 V924 R925 W926	E649-Y881 HydrophobicContact CG-CE1 3.92Å; E682-Y881 WeakPolarHBondContact OE2-CE1 3.24Å; E682-Y881 PolarHBondContact OE2-OH 2.86Å; Y881-I898 HydrophobicContact CD2-CG2 4.1Å; Y881-I898 HydrophobicContact CE2-CG2 3.62Å; Y881-D899 WeakPolarHBondContact CA-O 3.19Å; Y881-D899 WeakPolarHBondContact CD2-O 3.39Å; Y881-I900 HydrophobicContact CD2-CG1 4.03Å; Y881-I900 HydrophobicContact CG-CG1 4.21Å; Y881-V924 CarbonylContact O-C 3.54Å; Y881-V924 WeakPolarHBondContact O-CA 3.43Å; Y881-R925 HydrophobicContact CD1-CB 3.99Å; Y881-R925 VanDerWaalsContact CD1-CD 3.42Å; Y881-R925 HydrophobicContact CD1-CG 4.37Å; Y881-R925 VanDerWaalsContact CE1-CD 3.47Å; Y881-R925 HydrophobicContact CG-CB 4.46Å; Y881-R925 PolarHBondContact O-N 3.03Å; Y881-W926 VanDerWaalsContact CB-CE2 3.47Å; Y881-W926 AromaticContact CD1-NE1 3.82Å; Y881-W926 AromaticContact CG-NE1 3.96Å; Y881-W926 PolarHBondContact N-O 3.09Å
882	G	98.2	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	-167.3	-174	0	0	0	0	0	111.8	I898 D899 W901 H923	G882-I898 WeakPolarHBondContact O-CA 3.33Å; G882-D899 PolarHBondContact N-O 2.95Å; G882-D899 VanDerWaalsContact N-O 3.14Å; G882-D899 PolarHBondContact O-N 3.17Å; G882-D899 VanDerWaalsContact O-N 3.1Å; G882-W901 PolarHBondContact O-NE1 3.19Å; G882-H923 WeakPolarHBondContact CA-O 3.38Å
883	R	97.8	Very high	97.4	Very high	49 Å²	49	26 Å²	26	19%	0.185	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	133.2	179.3	-74.1	-164.3	-176.2	-77.6	4.5	111.9	Y880 N888 Q893 N896 I897 I898 R921 Q922 H923	Y880-R883 WeakPolarHBondContact CE2-O 3.33Å; Y880-R883 PolarHBondContact OH-O 2.84Å; R883-N888 WeakPolarHBondContact CB-OD1 3.17Å; R883-N888 PolarHBondContact O-ND2 3.23Å; R883-Q893 VanDerWaalsContact NH2-OE1 3.11Å; R883-N896 HydrophobicContact CB-CB 4.29Å; R883-N896 PolarHBondContact NH1-O 2.87Å; R883-I897 CarbonylContact C-O 3.51Å; R883-I897 VanDerWaalsContact CA-O 3.32Å; R883-I897 WeakPolarHBondContact CA-O 3.49Å; R883-I898 HydrophobicContact CG-CG1 3.78Å; R883-R921 WeakPolarHBondContact O-CD 3.41Å; R883-Q922 WeakPolarHBondContact CB-O 3.16Å; R883-Q922 PolarHBondContact N-O 2.83Å; R883-H923 HydrophobicContact CG-CB 4.42Å; R883-H923 PolarHBondContact NE-CE1 2.93Å; R883-H923 PolarHBondContact NE-ND1 2.84Å
884	G	97.5	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	-170.3	177.3	0	0	0	0	0	113.3	N896 I897 W901	G884-N896 CarbonylContact O-C 3.52Å; G884-N896 VanDerWaalsContact O-CA 3.29Å; G884-N896 WeakPolarHBondContact O-CA 3.39Å; G884-N896 WeakPolarHBondContact O-CB 3.45Å; G884-I897 PolarHBondContact N-O 3.1Å; G884-I897 PolarHBondContact O-N 2.85Å; G884-I897 VanDerWaalsContact O-N 3.08Å; G884-W901 VanDerWaalsContact C-CE2 3.48Å; G884-W901 VanDerWaalsContact O-CZ2 3.29Å; G884-W901 WeakPolarHBondContact O-CZ2 3.48Å
885	P	95.3	Very high	97.4	Very high	79 Å²	79	25.2 Å²	25.2	51%	0.513	15%	0.149	S	C	.	.	S	Bend	cis	-81.5	-19.1	3.7	32.1	-34.1	0	0	0	114.1	W901 R921	P885-W901 HydrophobicContact CB-CD2 4.17Å; P885-W901 HydrophobicContact CB-CE3 3.76Å; P885-W901 HydrophobicContact CB-CH2 4.43Å; P885-W901 HydrophobicContact CB-CZ3 3.91Å; P885-W901 HydrophobicContact CG-CE3 4.45Å; P885-W901 HydrophobicContact CG-CH2 4.34Å; P885-W901 HydrophobicContact CG-CZ3 4.1Å; P885-R921 PolarHBondContact O-NE 3.09Å; P885-R921 VanDerWaalsContact O-NE 3.15Å; P885-R921 PolarHBondContact O-NH2 3.35Å
886	G	95.7	Very high	97.4	Very high	25 Å²	25	25.7 Å²	25.7	26%	0.258	15%	0.152	S	C	.	.	S	Bend	trans	-76.8	171.8	-177.4	0	0	0	0	0	113.6	N888 N896 R921	G886-N888 PolarHBondContact O-ND2 2.86Å; G886-N896 PolarHBondContact N-ND2 2.99Å; G886-N896 PolarHBondContact O-OD1 2.82Å; G886-N896 VanDerWaalsContact O-OD1 3.06Å; G886-R921 WeakPolarHBondContact O-CD 3.3Å; G886-R921 VanDerWaalsContact O-CZ 3.22Å; G886-R921 PolarHBondContact O-NE 2.98Å
887	E	97.2	Very high	97.4	Very high	15 Å²	15	25.3 Å²	25.3	7%	0.07	15%	0.149	C	C	.	.			trans	-69.5	146.6	170.4	55	158	-131	0	0	112.7	N531 P602 N896 Y912 G919 N920 R921	N531-E887 PolarHBondContact ND2-OE1 2.82Å; N531-E887 VanDerWaalsContact ND2-OE1 3.07Å; N531-E887 PolarHBondContact OD1-OE1 3.03Å; P602-E887 HydrophobicContact CB-CG 3.89Å; P602-E887 HydrophobicContact CG-CG 3.75Å; P602-E887 WeakPolarHBondContact CG-OE1 3.32Å; E887-N896 PolarHBondContact O-OD1 2.83Å; E887-Y912 PolarHBondContact OE1-OH 2.75Å; E887-G919 PolarHBondContact OE2-N 2.86Å; E887-N920 VanDerWaalsContact CA-O 3.29Å; E887-N920 WeakPolarHBondContact CA-O 3.45Å; E887-R921 VanDerWaalsContact CB-NH1 3.31Å
888	N	98	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.			trans	-151.5	150.8	-175.3	45.1	96.5	0	0	0	112.6	R883 G886 S892 Q893 N896 N920 Q922	R883-N888 WeakPolarHBondContact CB-OD1 3.17Å; R883-N888 PolarHBondContact O-ND2 3.23Å; G886-N888 PolarHBondContact O-ND2 2.86Å; N888-S892 CarbonylContact C-O 3.57Å; N888-S892 WeakPolarHBondContact CA-O 3.4Å; N888-S892 WeakPolarHBondContact CB-O 3.47Å; N888-Q893 HydrophobicContact CB-CB 3.95Å; N888-N896 HydrophobicContact CB-CB 4.38Å; N888-N896 WeakPolarHBondContact CB-OD1 3.28Å; N888-N896 PolarHBondContact ND2-OD1 2.83Å; N888-N920 PolarHBondContact N-O 2.81Å; N888-N920 VanDerWaalsContact N-O 3.08Å; N888-N920 PolarHBondContact O-ND2 2.71Å; N888-Q922 VanDerWaalsContact OD1-CB 3.28Å; N888-Q922 WeakPolarHBondContact OD1-CB 3.36Å; N888-Q922 VanDerWaalsContact OD1-CG 3.22Å; N888-Q922 WeakPolarHBondContact OD1-CG 2.99Å; N888-Q922 PolarHBondContact OD1-N 2.76Å
889	Y	97.6	Very high	97.3	Very high	1 Å²	1	23 Å²	23	0%	0.004	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-136.7	168.6	179.7	-64.2	-97.5	0	0	0	110	N531 I780 D891 S892 Q893 N917 N920 Q922 L980 L983	N531-Y889 WeakPolarHBondContact ND2-CE2 3.41Å; N531-Y889 PolarHBondContact ND2-OH 3.39Å; N531-Y889 VanDerWaalsContact ND2-OH 3.13Å; I780-Y889 HydrophobicContact CD1-CE1 3.97Å; Y889-D891 PolarHBondContact O-N 3.05Å; Y889-S892 PolarHBondContact N-O 2.96Å; Y889-S892 CarbonylContact O-C 3.6Å; Y889-S892 PolarHBondContact O-N 2.86Å; Y889-S892 VanDerWaalsContact O-O 3.09Å; Y889-Q893 WeakPolarHBondContact O-CB 3.16Å; Y889-N917 PolarHBondContact OH-O 3.19Å; Y889-N917 VanDerWaalsContact OH-O 3.11Å; Y889-N917 PolarHBondContact OH-OD1 2.93Å; Y889-N920 HydrophobicContact CD1-CB 4.5Å; Y889-N920 HydrophobicContact CE1-CB 3.93Å; Y889-N920 HydrophobicContact CE2-CB 4.3Å; Y889-Q922 VanDerWaalsContact C-CD 3.43Å; Y889-Q922 PolarHBondContact O-OE1 2.76Å; Y889-L980 HydrophobicContact CD1-CD2 3.74Å; Y889-L980 HydrophobicContact CD1-CG 4.44Å; Y889-L980 HydrophobicContact CE1-CD2 3.59Å; Y889-L980 HydrophobicContact CE1-CG 4.47Å; Y889-L983 HydrophobicContact CD1-CD2 3.86Å; Y889-L983 HydrophobicContact CD2-CD1 4.03Å; Y889-L983 HydrophobicContact CD2-CD2 3.48Å; Y889-L983 VanDerWaalsContact CD2-CD2 3.48Å; Y889-L983 HydrophobicContact CD2-CG 3.87Å; Y889-L983 HydrophobicContact CE1-CD2 4.08Å; Y889-L983 HydrophobicContact CE2-CD2 3.72Å; Y889-L983 HydrophobicContact CG-CD2 3.55Å; Y889-L983 HydrophobicContact CG-CG 3.89Å
890	A	95.9	Very high	97.3	Very high	48 Å²	48	23.9 Å²	23.9	40%	0.397	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.1	-169.6	0	0	0	0	0	114.1	Q893	A890-Q893 PolarHBondContact O-NE2 2.82Å
891	D	96.5	Very high	97.3	Very high	21 Å²	21	26.3 Å²	26.3	11%	0.112	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	10.9	-178.6	64.9	-28.6	0	0	0	113.1	G534 G535 Y889 G982 L983 G984	G534-D891 VanDerWaalsContact CA-OD2 3.22Å; G534-D891 WeakPolarHBondContact CA-OD2 3.33Å; G535-D891 PolarHBondContact N-O 3.08Å; G535-D891 PolarHBondContact N-OD2 2.95Å; Y889-D891 PolarHBondContact O-N 3.05Å; D891-G982 WeakPolarHBondContact OD1-CA 3.4Å; D891-L983 VanDerWaalsContact CG-N 3.26Å; D891-L983 PolarHBondContact OD1-N 2.95Å; D891-L983 PolarHBondContact OD2-N 3.17Å; D891-G984 PolarHBondContact OD2-N 2.89Å
892	S	97.5	Very high	97.3	Very high	8 Å²	8	36 Å²	36	6%	0.056	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-149.5	81.9	174.8	-177.4	0	0	0	0	109.2	E606 N888 Y889	E606-S892 WeakPolarHBondContact CG-OG 3.42Å; E606-S892 WeakPolarHBondContact OE1-CA 3.48Å; N888-S892 CarbonylContact C-O 3.57Å; N888-S892 WeakPolarHBondContact CA-O 3.4Å; N888-S892 WeakPolarHBondContact CB-O 3.47Å; Y889-S892 PolarHBondContact N-O 2.96Å; Y889-S892 CarbonylContact O-C 3.6Å; Y889-S892 PolarHBondContact O-N 2.86Å; Y889-S892 VanDerWaalsContact O-O 3.09Å
893	Q	97.2	Very high	97.2	Very high	31 Å²	31	37.8 Å²	37.8	15%	0.145	20%	0.198	C	C	.	.			trans	-149.1	-4	-172.1	57.5	175.5	-43.4	0	0	114.4	E606 R883 N888 Y889 A890 A895 N896	E606-Q893 VanDerWaalsContact CD-N 3.34Å; E606-Q893 PolarHBondContact OE1-N 2.95Å; E606-Q893 PolarHBondContact OE2-N 2.9Å; R883-Q893 VanDerWaalsContact NH2-OE1 3.11Å; N888-Q893 HydrophobicContact CB-CB 3.95Å; Y889-Q893 WeakPolarHBondContact O-CB 3.16Å; A890-Q893 PolarHBondContact O-NE2 2.82Å; Q893-A895 VanDerWaalsContact C-N 3.27Å; Q893-A895 PolarHBondContact O-N 3.28Å; Q893-N896 PolarHBondContact O-N 2.78Å; Q893-N896 VanDerWaalsContact O-N 3.11Å
894	Q	96.8	Very high	97.2	Very high	88 Å²	88	37.3 Å²	37.3	41%	0.411	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.5	-175.6	-59.7	-52.8	-45.6	0	0	111.8	T537 E606 Q609 V610 N896	T537-Q894 WeakPolarHBondContact OG1-CG 3.3Å; E606-Q894 VanDerWaalsContact CD-N 3.28Å; E606-Q894 WeakPolarHBondContact OE1-CB 3.3Å; E606-Q894 VanDerWaalsContact OE1-CG 3.29Å; E606-Q894 WeakPolarHBondContact OE1-CG 3.07Å; E606-Q894 PolarHBondContact OE1-N 2.79Å; E606-Q894 PolarHBondContact OE2-N 3.05Å; Q609-Q894 HydrophobicContact CB-CB 4.37Å; Q609-Q894 HydrophobicContact CG-CB 3.73Å; Q609-Q894 WeakPolarHBondContact CG-O 3.43Å; V610-Q894 HydrophobicContact CG2-CB 4.37Å; V610-Q894 HydrophobicContact CG2-CG 4.09Å; Q894-N896 PolarHBondContact O-N 2.88Å
895	A	96.8	Very high	97.3	Very high	30 Å²	30	37.3 Å²	37.3	25%	0.248	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-3.9	178.4	0	0	0	0	0	113.8	K605 E606 Q609 Q893	K605-A895 HydrophobicContact CB-CB 4.43Å; K605-A895 WeakPolarHBondContact O-CB 3.28Å; E606-A895 PolarHBondContact OE2-N 3.26Å; Q609-A895 HydrophobicContact CB-CB 4.13Å; Q893-A895 VanDerWaalsContact C-N 3.27Å; Q893-A895 PolarHBondContact O-N 3.28Å
896	N	97.8	Very high	97.4	Very high	14 Å²	14	37.1 Å²	37.1	8%	0.075	20%	0.195	C	C	.	.			trans	-123.2	125.1	-175	-63.7	153.7	0	0	0	113.4	R883 G884 G886 E887 N888 Q893 Q894	R883-N896 HydrophobicContact CB-CB 4.29Å; R883-N896 PolarHBondContact NH1-O 2.87Å; G884-N896 CarbonylContact O-C 3.52Å; G884-N896 VanDerWaalsContact O-CA 3.29Å; G884-N896 WeakPolarHBondContact O-CA 3.39Å; G884-N896 WeakPolarHBondContact O-CB 3.45Å; G886-N896 PolarHBondContact N-ND2 2.99Å; G886-N896 PolarHBondContact O-OD1 2.82Å; G886-N896 VanDerWaalsContact O-OD1 3.06Å; E887-N896 PolarHBondContact O-OD1 2.83Å; N888-N896 HydrophobicContact CB-CB 4.38Å; N888-N896 WeakPolarHBondContact CB-OD1 3.28Å; N888-N896 PolarHBondContact ND2-OD1 2.83Å; Q893-N896 PolarHBondContact O-N 2.78Å; Q893-N896 VanDerWaalsContact O-N 3.11Å; Q894-N896 PolarHBondContact O-N 2.88Å
897	I	97.5	Very high	97.4	Very high	25 Å²	25	39.2 Å²	39.2	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	157.4	-179.9	67.9	175.5	0	0	0	111.1	T706 Q708 R883 G884 W901	T706-I897 HydrophobicContact CG2-CG2 3.75Å; Q708-I897 HydrophobicContact CB-CB 4.16Å; Q708-I897 HydrophobicContact CB-CG2 3.82Å; R883-I897 CarbonylContact C-O 3.51Å; R883-I897 VanDerWaalsContact CA-O 3.32Å; R883-I897 WeakPolarHBondContact CA-O 3.49Å; G884-I897 PolarHBondContact N-O 3.1Å; G884-I897 PolarHBondContact O-N 2.85Å; G884-I897 VanDerWaalsContact O-N 3.08Å; I897-W901 HydrophobicContact CD1-CZ2 4.43Å; I897-W901 HydrophobicContact CG1-CH2 4.23Å; I897-W901 HydrophobicContact CG1-CZ2 3.74Å; I897-W901 PolarHBondContact O-NE1 2.63Å
898	I	98.2	Very high	97.4	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.4	173.9	-65	160.1	0	0	0	109.4	F684 Q708 Y881 G882 R883 H923	F684-I898 HydrophobicContact CE1-CD1 4.22Å; F684-I898 HydrophobicContact CE2-CB 4.15Å; F684-I898 HydrophobicContact CE2-CG2 3.69Å; F684-I898 HydrophobicContact CZ-CB 4.05Å; F684-I898 HydrophobicContact CZ-CD1 4.03Å; F684-I898 HydrophobicContact CZ-CG2 3.84Å; Q708-I898 PolarHBondContact NE2-O 2.85Å; Y881-I898 HydrophobicContact CD2-CG2 4.1Å; Y881-I898 HydrophobicContact CE2-CG2 3.62Å; G882-I898 WeakPolarHBondContact O-CA 3.33Å; R883-I898 HydrophobicContact CG-CG1 3.78Å; I898-H923 HydrophobicContact CD1-CB 4.36Å
899	D	97.8	Very high	97.4	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	177.6	173.2	-153.5	-12.3	0	0	0	110	R647 G650 Y881 G882 W901	R647-D899 IonicContact CZ-OD2 2.72Å; R647-D899 IonicContact NE-OD2 3.72Å; R647-D899 IonicContact NH1-OD2 3.64Å; R647-D899 PolarHBondContact NH1-OD2 3.26Å; R647-D899 IonicContact NH2-OD2 3.91Å; G650-D899 WeakPolarHBondContact CA-OD1 3.48Å; G650-D899 PolarHBondContact N-OD1 2.88Å; Y881-D899 WeakPolarHBondContact CA-O 3.19Å; Y881-D899 WeakPolarHBondContact CD2-O 3.39Å; G882-D899 PolarHBondContact N-O 2.95Å; G882-D899 VanDerWaalsContact N-O 3.14Å; G882-D899 PolarHBondContact O-N 3.17Å; G882-D899 VanDerWaalsContact O-N 3.1Å; D899-W901 HydrophobicContact CB-CH2 4.48Å; D899-W901 HydrophobicContact CB-CZ2 3.82Å; D899-W901 PolarHBondContact O-NE1 3.33Å
900	I	98	Very high	97.3	Very high	41 Å²	41	42.6 Å²	42.6	21%	0.21	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.9	169.9	-59.4	-179.5	0	0	0	109.1	E649 Y880 Y881 W926	E649-I900 HydrophobicContact CB-CD1 4.21Å; E649-I900 WeakPolarHBondContact O-CD1 3.36Å; Y880-I900 WeakPolarHBondContact O-CA 3.26Å; Y881-I900 HydrophobicContact CD2-CG1 4.03Å; Y881-I900 HydrophobicContact CG-CG1 4.21Å; I900-W926 HydrophobicContact CD1-CZ2 3.97Å; I900-W926 HydrophobicContact CG1-CZ2 4.05Å; I900-W926 HydrophobicContact CG2-CH2 3.99Å; I900-W926 HydrophobicContact CG2-CZ2 4.08Å
901	W	97.9	Very high	97.3	Very high	53 Å²	53	44.2 Å²	44.2	20%	0.201	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.9	178.1	-55.7	102	0	0	0	110.6	A879 Y880 G882 G884 P885 I897 D899	A879-W901 CarbonylContact C-O 3.14Å; A879-W901 VanDerWaalsContact CA-O 3.25Å; A879-W901 WeakPolarHBondContact CA-O 3.43Å; Y880-W901 HydrophobicContact CD1-CB 4.12Å; Y880-W901 HydrophobicContact CE1-CB 3.59Å; Y880-W901 HydrophobicContact CE1-CG 4.3Å; Y880-W901 HydrophobicContact CE2-CB 4.11Å; Y880-W901 AromaticContact CE2-CD1 3.39Å; Y880-W901 HydrophobicContact CE2-CG 4.05Å; Y880-W901 AromaticContact CZ-CD1 3.55Å; Y880-W901 AromaticContact CZ-CG 3.77Å; Y880-W901 PolarHBondContact N-O 2.77Å; Y880-W901 PolarHBondContact O-N 2.79Å; G882-W901 PolarHBondContact O-NE1 3.19Å; G884-W901 VanDerWaalsContact C-CE2 3.48Å; G884-W901 VanDerWaalsContact O-CZ2 3.29Å; G884-W901 WeakPolarHBondContact O-CZ2 3.48Å; P885-W901 HydrophobicContact CB-CD2 4.17Å; P885-W901 HydrophobicContact CB-CE3 3.76Å; P885-W901 HydrophobicContact CB-CH2 4.43Å; P885-W901 HydrophobicContact CB-CZ3 3.91Å; P885-W901 HydrophobicContact CG-CE3 4.45Å; P885-W901 HydrophobicContact CG-CH2 4.34Å; P885-W901 HydrophobicContact CG-CZ3 4.1Å; I897-W901 HydrophobicContact CD1-CZ2 4.43Å; I897-W901 HydrophobicContact CG1-CH2 4.23Å; I897-W901 HydrophobicContact CG1-CZ2 3.74Å; I897-W901 PolarHBondContact O-NE1 2.63Å; D899-W901 HydrophobicContact CB-CH2 4.48Å; D899-W901 HydrophobicContact CB-CZ2 3.82Å; D899-W901 PolarHBondContact O-NE1 3.33Å
902	R	97.7	Very high	97.3	Very high	211 Å²	211	43.6 Å²	43.6	80%	0.796	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.4	171.6	-63.9	-174.8	-178.7	95.1	1.2	108.6	V878 A879	V878-R902 CarbonylContact O-C 3.47Å; V878-R902 WeakPolarHBondContact O-CA 3.19Å; A879-R902 HydrophobicContact CB-CG 4.26Å
903	S	97.3	Very high	97.2	Very high	36 Å²	36	43.7 Å²	43.7	25%	0.252	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	-172	-177.7	-160.7	0	0	0	0	110.3	V878 A907	V878-S903 PolarHBondContact N-O 3.13Å; V878-S903 PolarHBondContact O-N 3.06Å; V878-S903 VanDerWaalsContact O-O 3.13Å; S903-A907 WeakPolarHBondContact OG-CB 3.18Å
904	T	97.9	Very high	97.2	Very high	39 Å²	39	43.6 Å²	43.6	24%	0.239	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	163.2	162.6	63.9	0	0	0	0	109.9	D876 D906 A907 M908	D876-T904 CarbonylContact O-C 3.52Å; D876-T904 WeakPolarHBondContact O-CA 3.33Å; D876-T904 WeakPolarHBondContact O-CB 3.36Å; T904-D906 VanDerWaalsContact C-N 3.25Å; T904-D906 PolarHBondContact O-N 3.18Å; T904-A907 PolarHBondContact O-N 2.82Å; T904-A907 WeakPolarHBondContact OG1-CB 3.37Å; T904-A907 PolarHBondContact OG1-N 2.89Å; T904-A907 VanDerWaalsContact OG1-N 3.15Å; T904-M908 WeakPolarHBondContact O-CG 3.1Å; T904-M908 PolarHBondContact O-N 3.13Å; T904-M908 VanDerWaalsContact O-N 3.08Å
905	V	98.2	Very high	97.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-43.2	173.6	175.8	0	0	0	0	110.9	D876 V878 A907 M908 F909 L929 A949 H951 I972	D876-V905 PolarHBondContact O-N 2.88Å; V878-V905 HydrophobicContact CG2-CG2 3.77Å; V905-A907 PolarHBondContact O-N 3.48Å; V905-M908 PolarHBondContact O-N 2.85Å; V905-F909 PolarHBondContact O-N 3.39Å; V905-L929 HydrophobicContact CG2-CD2 4.25Å; V905-A949 HydrophobicContact CG1-CB 4.23Å; V905-A949 HydrophobicContact CG2-CB 4.05Å; V905-H951 WeakPolarHBondContact CG1-CD2 3.21Å; V905-I972 HydrophobicContact CG1-CG1 4.36Å; V905-I972 HydrophobicContact CG1-CG2 4.44Å; V905-I972 HydrophobicContact CG2-CD1 3.82Å; V905-I972 HydrophobicContact CG2-CG1 4.18Å; V905-I972 HydrophobicContact CG2-CG2 4.3Å
906	D	97	Very high	97.3	Very high	74 Å²	74	38.4 Å²	38.4	40%	0.396	19%	0.194	S	C	.	.	H	α-helix	trans	-61.8	-42.8	177	-70.1	-36.2	0	0	0	112.8	T904 M908 F909 H951 R968	T904-D906 VanDerWaalsContact C-N 3.25Å; T904-D906 PolarHBondContact O-N 3.18Å; D906-M908 PolarHBondContact O-N 3.27Å; D906-F909 PolarHBondContact O-N 3.12Å; D906-H951 IonicContact OD1-CD2 2.65Å; D906-H951 PolarHBondContact OD1-CD2 3.14Å; D906-H951 VanDerWaalsContact OD1-CD2 3.24Å; D906-H951 IonicContact OD1-NE2 3.8Å; D906-R968 IonicContact OD1-CZ 3.3Å; D906-R968 VanDerWaalsContact OD1-CZ 3.24Å; D906-R968 IonicContact OD1-NH1 3.1Å; D906-R968 PolarHBondContact OD1-NH1 2.94Å; D906-R968 IonicContact OD1-NH2 3.09Å; D906-R968 PolarHBondContact OD1-NH2 3.17Å; D906-R968 IonicContact OD2-CZ 2.76Å; D906-R968 IonicContact OD2-NH2 2.71Å; D906-R968 PolarHBondContact OD2-NH2 2.91Å; D906-R968 VanDerWaalsContact OD2-NH2 3.08Å
907	A	97.1	Very high	97.3	Very high	69 Å²	69	37.9 Å²	37.9	57%	0.57	19%	0.192	S	C	*	.	H	α-helix	trans	-75.3	-13.6	-179.4	0	0	0	0	0	113.5	S903 T904 V905	S903-A907 WeakPolarHBondContact OG-CB 3.18Å; T904-A907 PolarHBondContact O-N 2.82Å; T904-A907 WeakPolarHBondContact OG1-CB 3.37Å; T904-A907 PolarHBondContact OG1-N 2.89Å; T904-A907 VanDerWaalsContact OG1-N 3.15Å; V905-A907 PolarHBondContact O-N 3.48Å
908	M	97.5	Very high	97.3	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.03	19%	0.186	C	C	.	.	H	α-helix	trans	-86.6	-20.6	173.7	-76.7	-173.5	71.7	0	0	113.4	V878 Y880 T904 V905 D906 G919 R921 F947	V878-M908 HydrophobicContact CB-SD 4.07Å; V878-M908 HydrophobicContact CG1-SD 3.75Å; V878-M908 HydrophobicContact CG2-SD 4.11Å; Y880-M908 HydrophobicContact CE1-CE 4.28Å; Y880-M908 HydrophobicContact CE1-SD 4.47Å; T904-M908 WeakPolarHBondContact O-CG 3.1Å; T904-M908 PolarHBondContact O-N 3.13Å; T904-M908 VanDerWaalsContact O-N 3.08Å; V905-M908 PolarHBondContact O-N 2.85Å; D906-M908 PolarHBondContact O-N 3.27Å; M908-G919 WeakPolarHBondContact O-CA 3.17Å; M908-R921 HydrophobicContact CE-CG 3.6Å; M908-F947 HydrophobicContact CE-CD1 3.97Å; M908-F947 HydrophobicContact CE-CE1 3.46Å; M908-F947 VanDerWaalsContact CE-CE1 3.46Å; M908-F947 HydrophobicContact CE-CZ 4.27Å; M908-F947 HydrophobicContact SD-CE1 3.94Å; M908-F947 HydrophobicContact SD-CZ 4.39Å
909	F	97.2	Very high	97.2	Very high	29 Å²	29	36.2 Å²	36.2	13%	0.127	18%	0.183	C	C	.	.			trans	-79.5	123.1	-179.4	-170.6	-94.4	0	0	0	110.2	V905 D906 N911 N918 W950 Y952 I957 L966	V905-F909 PolarHBondContact O-N 3.39Å; D906-F909 PolarHBondContact O-N 3.12Å; F909-N911 HydrophobicContact CD1-CB 4.24Å; F909-N911 HydrophobicContact CE1-CB 4.22Å; F909-N918 VanDerWaalsContact CD2-OD1 3.23Å; F909-N918 WeakPolarHBondContact CD2-OD1 3.43Å; F909-N918 VanDerWaalsContact CE2-ND2 3.26Å; F909-N918 WeakPolarHBondContact CE2-ND2 3.49Å; F909-W950 HydrophobicContact CD2-CB 4.37Å; F909-W950 AromaticContact CD2-CD1 3.64Å; F909-W950 HydrophobicContact CD2-CG 4.18Å; F909-W950 HydrophobicContact CE2-CG 4.31Å; F909-Y952 HydrophobicContact CD1-CE2 4.18Å; F909-Y952 HydrophobicContact CD2-CD2 4.05Å; F909-Y952 HydrophobicContact CD2-CE2 4.24Å; F909-Y952 HydrophobicContact CE1-CD2 4.26Å; F909-Y952 AromaticContact CE1-CE2 3.83Å; F909-Y952 HydrophobicContact CE1-CE2 3.83Å; F909-Y952 AromaticContact CE2-CD2 3.52Å; F909-Y952 HydrophobicContact CE2-CD2 3.52Å; F909-Y952 AromaticContact CE2-CE2 3.91Å; F909-Y952 HydrophobicContact CE2-CE2 3.91Å; F909-Y952 HydrophobicContact CG-CE2 4.37Å; F909-Y952 AromaticContact CZ-CD2 3.64Å; F909-Y952 HydrophobicContact CZ-CD2 3.64Å; F909-Y952 AromaticContact CZ-CE2 3.69Å; F909-Y952 HydrophobicContact CZ-CE2 3.69Å; F909-I957 HydrophobicContact CE2-CD1 4.01Å; F909-L966 HydrophobicContact CE1-CD1 4.01Å; F909-L966 HydrophobicContact CZ-CD1 3.86Å
910	E	96.4	Very high	97.2	Very high	52 Å²	52	36 Å²	36	24%	0.243	18%	0.182	C	C	.	.			trans	-91.9	117.2	172.7	-169.4	64.4	-113.2	0	0	108.4	Y595 P602 Y912 N918	Y595-E910 VanDerWaalsContact OH-CD 3.3Å; Y595-E910 VanDerWaalsContact OH-CG 3.31Å; Y595-E910 WeakPolarHBondContact OH-CG 3.31Å; Y595-E910 PolarHBondContact OH-OE1 2.81Å; Y595-E910 VanDerWaalsContact OH-OE1 3.12Å; P602-E910 HydrophobicContact CG-CG 4.16Å; E910-Y912 VanDerWaalsContact C-N 3.33Å; E910-Y912 HydrophobicContact CB-CD2 4.17Å; E910-Y912 HydrophobicContact CB-CE2 3.72Å; E910-Y912 HydrophobicContact CG-CD2 4.01Å; E910-Y912 HydrophobicContact CG-CE1 4.26Å; E910-Y912 HydrophobicContact CG-CE2 3.53Å; E910-Y912 WeakPolarHBondContact O-CD2 3.04Å; E910-Y912 PolarHBondContact O-N 2.83Å; E910-Y912 VanDerWaalsContact O-N 3.12Å; E910-N918 HydrophobicContact CB-CB 4.1Å; E910-N918 PolarHBondContact N-OD1 2.88Å; E910-N918 PolarHBondContact O-OD1 3.41Å
911	N	94.3	Very high	97.3	Very high	82 Å²	82	34.5 Å²	34.5	44%	0.439	17%	0.174	S	C	.	.			trans	-91.5	65.6	-170.7	-167.8	42.1	0	0	0	111.4	F909	F909-N911 HydrophobicContact CD1-CB 4.24Å; F909-N911 HydrophobicContact CE1-CB 4.22Å
912	Y	97	Very high	97.3	Very high	8 Å²	8	32.6 Å²	32.6	3%	0.031	17%	0.167	C	C	.	.			trans	-52.9	139.1	175.9	-69.1	-78.6	0	0	0	111.7	G530 N531 Y595 E887 E910 F914 Q916 N918	G530-Y912 VanDerWaalsContact O-CE1 3.28Å; G530-Y912 WeakPolarHBondContact O-CE1 3.4Å; N531-Y912 HydrophobicContact CB-CE1 4.36Å; N531-Y912 HydrophobicContact CB-CE2 4.07Å; N531-Y912 PolarHBondContact ND2-OH 2.84Å; N531-Y912 PolarHBondContact OD1-OH 3.26Å; Y595-Y912 AromaticContact CE1-CD1 3.94Å; Y595-Y912 HydrophobicContact CE1-CD1 3.94Å; Y595-Y912 HydrophobicContact CE1-CE1 4.12Å; Y595-Y912 WeakPolarHBondContact OH-CE1 3.33Å; E887-Y912 PolarHBondContact OE1-OH 2.75Å; E910-Y912 VanDerWaalsContact C-N 3.33Å; E910-Y912 HydrophobicContact CB-CD2 4.17Å; E910-Y912 HydrophobicContact CB-CE2 3.72Å; E910-Y912 HydrophobicContact CG-CD2 4.01Å; E910-Y912 HydrophobicContact CG-CE1 4.26Å; E910-Y912 HydrophobicContact CG-CE2 3.53Å; E910-Y912 WeakPolarHBondContact O-CD2 3.04Å; E910-Y912 PolarHBondContact O-N 2.83Å; E910-Y912 VanDerWaalsContact O-N 3.12Å; Y912-F914 VanDerWaalsContact CB-O 3.31Å; Y912-F914 WeakPolarHBondContact CB-O 3.33Å; Y912-F914 PolarHBondContact O-N 3.13Å; Y912-Q916 HydrophobicContact CD2-CG 3.97Å; Y912-Q916 HydrophobicContact CG-CG 4.2Å; Y912-N918 HydrophobicContact CD2-CB 3.99Å; Y912-N918 HydrophobicContact CE2-CB 3.72Å
913	P	96.5	Very high	97.2	Very high	10 Å²	10	25.8 Å²	25.8	7%	0.065	14%	0.144	C	C	.	.	S	Bend	trans	-57.3	-37.5	178.1	-22.1	31.1	0	0	0	113	Y573 L590 P915 C963	Y573-P913 HydrophobicContact CD2-CB 4.33Å; Y573-P913 HydrophobicContact CD2-CG 4.18Å; L590-P913 HydrophobicContact CD1-CB 3.84Å; P913-P915 WeakPolarHBondContact O-CD 3.35Å; P913-C963 PolarHBondContact O-N 3.41Å; P913-C963 VanDerWaalsContact O-N 3.1Å
914	F	97.2	Very high	97.3	Very high	29 Å²	29	24 Å²	24	13%	0.127	13%	0.132	C	C	.	.	S	Bend	trans	-99	107.1	164.5	-167.3	-91.7	0	0	0	110.1	F575 N587 L590 Y912 Q916 Q961	F575-F914 HydrophobicContact CE1-CD2 4Å; F575-F914 HydrophobicContact CE2-CD2 4.46Å; F575-F914 AromaticContact CZ-CD2 3.66Å; F575-F914 HydrophobicContact CZ-CD2 3.66Å; F575-F914 HydrophobicContact CZ-CE2 4.16Å; N587-F914 HydrophobicContact CB-CB 4.25Å; N587-F914 HydrophobicContact CB-CD2 3.68Å; N587-F914 HydrophobicContact CB-CE2 4.27Å; N587-F914 HydrophobicContact CB-CG 4.08Å; L590-F914 HydrophobicContact CD1-CB 3.9Å; Y912-F914 VanDerWaalsContact CB-O 3.31Å; Y912-F914 WeakPolarHBondContact CB-O 3.33Å; Y912-F914 PolarHBondContact O-N 3.13Å; F914-Q916 PolarHBondContact O-N 2.85Å; F914-Q916 PolarHBondContact O-NE2 2.95Å; F914-Q916 VanDerWaalsContact O-NE2 3.15Å; F914-Q961 WeakPolarHBondContact CD2-O 3.08Å; F914-Q961 HydrophobicContact CE2-CB 4.09Å; F914-Q961 HydrophobicContact CE2-CG 4.34Å
915	P	97.7	Very high	97.3	Very high	7 Å²	7	24.6 Å²	24.6	5%	0.045	13%	0.13	C	C	.	.			trans	-60.6	135.6	-175.1	-27.8	38.3	0	0	0	113.7	P913 I957 A960 Q961 H962 L966	P913-P915 WeakPolarHBondContact O-CD 3.35Å; P915-I957 HydrophobicContact CB-CG2 4.34Å; P915-A960 HydrophobicContact CB-CB 4.14Å; P915-A960 HydrophobicContact CG-CB 3.87Å; P915-Q961 WeakPolarHBondContact CD-O 3.11Å; P915-H962 WeakPolarHBondContact CG-O 3.15Å; P915-L966 HydrophobicContact CB-CD1 4.32Å; P915-L966 HydrophobicContact CB-CD2 3.96Å; P915-L966 HydrophobicContact CB-CG 4.32Å; P915-L966 HydrophobicContact CG-CD1 4.11Å; P915-L966 HydrophobicContact CG-CD2 4.11Å; P915-L966 HydrophobicContact CG-CG 4Å
916	Q	97.2	Very high	97.2	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.142	C	C	.	.			trans	-156.9	178.6	-177.1	56.2	-166.5	-69.4	0	0	111.2	N531 M779 Y912 F914 N918 I957	N531-Q916 HydrophobicContact CB-CG 4.26Å; N531-Q916 VanDerWaalsContact N-CD 3.33Å; M779-Q916 WeakPolarHBondContact O-CB 3.24Å; Y912-Q916 HydrophobicContact CD2-CG 3.97Å; Y912-Q916 HydrophobicContact CG-CG 4.2Å; F914-Q916 PolarHBondContact O-N 2.85Å; F914-Q916 PolarHBondContact O-NE2 2.95Å; F914-Q916 VanDerWaalsContact O-NE2 3.15Å; Q916-N918 PolarHBondContact O-N 3.1Å; Q916-N918 PolarHBondContact O-ND2 2.98Å; Q916-I957 WeakPolarHBondContact O-CG2 3.39Å
917	N	97.2	Very high	97.3	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	12%	0.123	C	C	.	.	S	Bend	trans	-59.8	128.8	175.9	-175	-115.4	0	0	0	110.2	N531 K777 P778 I780 Y889 W950	N531-N917 PolarHBondContact ND2-O 2.97Å; N531-N917 VanDerWaalsContact ND2-O 3.11Å; K777-N917 HydrophobicContact CD-CB 4.22Å; P778-N917 HydrophobicContact CB-CB 4.36Å; P778-N917 WeakPolarHBondContact O-CB 3.37Å; I780-N917 HydrophobicContact CD1-CB 4.23Å; I780-N917 HydrophobicContact CG1-CB 3.83Å; Y889-N917 PolarHBondContact OH-O 3.19Å; Y889-N917 VanDerWaalsContact OH-O 3.11Å; Y889-N917 PolarHBondContact OH-OD1 2.93Å; N917-W950 WeakPolarHBondContact ND2-CH2 3.35Å; N917-W950 WeakPolarHBondContact ND2-CZ2 3.3Å
918	N	97.4	Very high	97.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.102	C	C	.	.			trans	-153.6	169	-172.6	72.9	80.3	0	0	0	111.6	F909 E910 Y912 Q916 N920 W950	F909-N918 VanDerWaalsContact CD2-OD1 3.23Å; F909-N918 WeakPolarHBondContact CD2-OD1 3.43Å; F909-N918 VanDerWaalsContact CE2-ND2 3.26Å; F909-N918 WeakPolarHBondContact CE2-ND2 3.49Å; E910-N918 HydrophobicContact CB-CB 4.1Å; E910-N918 PolarHBondContact N-OD1 2.88Å; E910-N918 PolarHBondContact O-OD1 3.41Å; Y912-N918 HydrophobicContact CD2-CB 3.99Å; Y912-N918 HydrophobicContact CE2-CB 3.72Å; Q916-N918 PolarHBondContact O-N 3.1Å; Q916-N918 PolarHBondContact O-ND2 2.98Å; N918-N920 PolarHBondContact O-N 2.85Å; N918-W950 PolarHBondContact O-NE1 2.92Å
919	G	97.2	Very high	97.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	10%	0.101	C	C	.	.			trans	73.7	15.5	171.3	0	0	0	0	0	113.8	E887 M908 R921	E887-G919 PolarHBondContact OE2-N 2.86Å; M908-G919 WeakPolarHBondContact O-CA 3.17Å; G919-R921 PolarHBondContact O-NH1 3Å
920	N	98.1	Very high	97.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.106	C	C	.	.			trans	-68.1	143	179.4	-173.2	58.7	0	0	0	112	E887 N888 Y889 N918 N946 F947 L980	E887-N920 VanDerWaalsContact CA-O 3.29Å; E887-N920 WeakPolarHBondContact CA-O 3.45Å; N888-N920 PolarHBondContact N-O 2.81Å; N888-N920 VanDerWaalsContact N-O 3.08Å; N888-N920 PolarHBondContact O-ND2 2.71Å; Y889-N920 HydrophobicContact CD1-CB 4.5Å; Y889-N920 HydrophobicContact CE1-CB 3.93Å; Y889-N920 HydrophobicContact CE2-CB 4.3Å; N918-N920 PolarHBondContact O-N 2.85Å; N920-N946 WeakPolarHBondContact OD1-CB 3.46Å; N920-F947 CarbonylContact C-O 3.52Å; N920-L980 HydrophobicContact CB-CD2 4.05Å; N920-L980 WeakPolarHBondContact ND2-CD2 3.37Å
921	R	98.4	Very high	97.4	Very high	10 Å²	10	19.8 Å²	19.8	4%	0.038	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	123.7	171.8	-58.6	-60.8	-177.4	-88.9	9.5	109.8	Y880 R883 P885 G886 E887 M908 G919 V924 N946 F947	Y880-R921 HydrophobicContact CE1-CG 4.32Å; Y880-R921 HydrophobicContact CE2-CB 4.1Å; Y880-R921 HydrophobicContact CE2-CG 4.02Å; Y880-R921 VanDerWaalsContact OH-CD 3.26Å; Y880-R921 WeakPolarHBondContact OH-CD 3.31Å; Y880-R921 PolarHBondContact OH-NE 2.91Å; Y880-R921 VanDerWaalsContact OH-NE 3.16Å; R883-R921 WeakPolarHBondContact O-CD 3.41Å; P885-R921 PolarHBondContact O-NE 3.09Å; P885-R921 VanDerWaalsContact O-NE 3.15Å; P885-R921 PolarHBondContact O-NH2 3.35Å; G886-R921 WeakPolarHBondContact O-CD 3.3Å; G886-R921 VanDerWaalsContact O-CZ 3.22Å; G886-R921 PolarHBondContact O-NE 2.98Å; E887-R921 VanDerWaalsContact CB-NH1 3.31Å; M908-R921 HydrophobicContact CE-CG 3.6Å; G919-R921 PolarHBondContact O-NH1 3Å; R921-V924 HydrophobicContact CB-CG2 4.04Å; R921-N946 CarbonylContact O-C 3.45Å; R921-N946 VanDerWaalsContact O-CA 3.23Å; R921-N946 WeakPolarHBondContact O-CA 3.15Å; R921-F947 HydrophobicContact CB-CD1 4.35Å; R921-F947 HydrophobicContact CG-CD1 4.47Å; R921-F947 PolarHBondContact N-O 2.86Å; R921-F947 PolarHBondContact O-N 2.88Å
922	Q	98	Very high	97.4	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.061	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	165.9	-178.9	-54.1	-164.8	-71.3	0	0	113.1	R883 N888 Y889 V924 N946	R883-Q922 WeakPolarHBondContact CB-O 3.16Å; R883-Q922 PolarHBondContact N-O 2.83Å; N888-Q922 VanDerWaalsContact OD1-CB 3.28Å; N888-Q922 WeakPolarHBondContact OD1-CB 3.36Å; N888-Q922 VanDerWaalsContact OD1-CG 3.22Å; N888-Q922 WeakPolarHBondContact OD1-CG 2.99Å; N888-Q922 PolarHBondContact OD1-N 2.76Å; Y889-Q922 VanDerWaalsContact C-CD 3.43Å; Y889-Q922 PolarHBondContact O-OE1 2.76Å; Q922-V924 PolarHBondContact O-N 3.32Å; Q922-N946 VanDerWaalsContact CG-OD1 3.29Å; Q922-N946 WeakPolarHBondContact CG-OD1 3.31Å; Q922-N946 PolarHBondContact NE2-OD1 3.09Å
923	H	97.2	Very high	97.2	Very high	68 Å²	68	33.6 Å²	33.6	32%	0.315	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.5	35.7	175.9	-54.5	145.4	0	0	0	113.7	G882 R883 I898 R925 P944 I945	G882-H923 WeakPolarHBondContact CA-O 3.38Å; R883-H923 HydrophobicContact CG-CB 4.42Å; R883-H923 PolarHBondContact NE-CE1 2.93Å; R883-H923 PolarHBondContact NE-ND1 2.84Å; I898-H923 HydrophobicContact CD1-CB 4.36Å; H923-R925 PolarHBondContact O-N 2.95Å; H923-R925 PolarHBondContact O-NH1 3.24Å; H923-P944 HydrophobicContact CB-CB 4.34Å; H923-I945 PolarHBondContact N-O 2.6Å; H923-I945 VanDerWaalsContact N-O 3.16Å
924	V	98.4	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	118.7	179.2	176	0	0	0	0	110	Y880 Y881 R921 Q922 W926 T927 P944 I945 F947	Y880-V924 HydrophobicContact CD2-CG2 4.1Å; Y881-V924 CarbonylContact O-C 3.54Å; Y881-V924 WeakPolarHBondContact O-CA 3.43Å; R921-V924 HydrophobicContact CB-CG2 4.04Å; Q922-V924 PolarHBondContact O-N 3.32Å; V924-W926 VanDerWaalsContact CG1-O 3.31Å; V924-W926 WeakPolarHBondContact CG1-O 3.3Å; V924-T927 HydrophobicContact CG1-CG2 4.45Å; V924-P944 WeakPolarHBondContact O-CA 3.48Å; V924-I945 HydrophobicContact CB-CG1 4.29Å; V924-I945 PolarHBondContact N-O 2.95Å; V924-I945 PolarHBondContact O-N 3.33Å; V924-I945 VanDerWaalsContact O-N 3.08Å; V924-F947 HydrophobicContact CB-CB 4.27Å; V924-F947 HydrophobicContact CG1-CB 4.39Å; V924-F947 HydrophobicContact CG2-CB 3.9Å; V924-F947 HydrophobicContact CG2-CD1 4.49Å
925	R	97.2	Very high	96.8	Very high	51 Å²	51	36.9 Å²	36.9	19%	0.192	18%	0.18	C	C	.	.	S	Bend	trans	-90.2	-28.7	178.7	-67.9	146.3	174.4	84.1	-5	112.5	E682 Y881 H923 P941 P944	E682-R925 IonicContact OE1-CZ 3.61Å; E682-R925 IonicContact OE1-NE 2.81Å; E682-R925 PolarHBondContact OE1-NE 3.32Å; E682-R925 IonicContact OE1-NH2 2.82Å; E682-R925 PolarHBondContact OE1-NH2 2.81Å; E682-R925 WeakPolarHBondContact OE2-CD 3.36Å; E682-R925 IonicContact OE2-CZ 3.48Å; E682-R925 IonicContact OE2-NE 3.07Å; E682-R925 PolarHBondContact OE2-NE 3.49Å; E682-R925 IonicContact OE2-NH2 3.63Å; E682-R925 PolarHBondContact OE2-NH2 2.88Å; Y881-R925 HydrophobicContact CD1-CB 3.99Å; Y881-R925 VanDerWaalsContact CD1-CD 3.42Å; Y881-R925 HydrophobicContact CD1-CG 4.37Å; Y881-R925 VanDerWaalsContact CE1-CD 3.47Å; Y881-R925 HydrophobicContact CG-CB 4.46Å; Y881-R925 PolarHBondContact O-N 3.03Å; H923-R925 PolarHBondContact O-N 2.95Å; H923-R925 PolarHBondContact O-NH1 3.24Å; R925-P941 WeakPolarHBondContact O-CD 3.31Å; R925-P944 HydrophobicContact CG-CG 4.43Å
926	W	97.4	Very high	96.7	Very high	66 Å²	66	38 Å²	38	25%	0.25	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	152.4	165.5	60	-98.8	0	0	0	109.6	A879 Y880 Y881 I900 V924 A928 L938 V939 V940	A879-W926 HydrophobicContact CB-CH2 4.2Å; A879-W926 HydrophobicContact CB-CZ3 4Å; A879-W926 VanDerWaalsContact O-CZ3 3.3Å; A879-W926 WeakPolarHBondContact O-CZ3 3.44Å; Y880-W926 VanDerWaalsContact CA-O 3.31Å; Y880-W926 WeakPolarHBondContact CA-O 3.41Å; Y881-W926 VanDerWaalsContact CB-CE2 3.47Å; Y881-W926 AromaticContact CD1-NE1 3.82Å; Y881-W926 AromaticContact CG-NE1 3.96Å; Y881-W926 PolarHBondContact N-O 3.09Å; I900-W926 HydrophobicContact CD1-CZ2 3.97Å; I900-W926 HydrophobicContact CG1-CZ2 4.05Å; I900-W926 HydrophobicContact CG2-CH2 3.99Å; I900-W926 HydrophobicContact CG2-CZ2 4.08Å; V924-W926 VanDerWaalsContact CG1-O 3.31Å; V924-W926 WeakPolarHBondContact CG1-O 3.3Å; W926-A928 HydrophobicContact CZ3-CB 4.27Å; W926-L938 HydrophobicContact CB-CD1 4.39Å; W926-L938 HydrophobicContact CE3-CD1 4.1Å; W926-V939 CarbonylContact C-O 3.53Å; W926-V939 WeakPolarHBondContact CA-O 3.34Å; W926-V939 WeakPolarHBondContact CB-O 3.43Å; W926-V940 HydrophobicContact CB-CG2 4.1Å
927	T	98.5	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.6	170.2	-175.8	0	0	0	0	109.8	A879 V924 L929 V939 F947 L976	A879-T927 CarbonylContact O-C 3.5Å; A879-T927 WeakPolarHBondContact O-CA 3.43Å; V924-T927 HydrophobicContact CG1-CG2 4.45Å; T927-L929 HydrophobicContact CG2-CD1 4.33Å; T927-V939 HydrophobicContact CG2-CB 3.89Å; T927-V939 HydrophobicContact CG2-CG2 4.33Å; T927-V939 PolarHBondContact N-O 3.42Å; T927-V939 PolarHBondContact O-N 3.13Å; T927-F947 HydrophobicContact CG2-CD2 3.86Å; T927-F947 HydrophobicContact CG2-CE2 3.98Å; T927-F947 HydrophobicContact CG2-CG 4.26Å; T927-F947 HydrophobicContact CG2-CZ 4.46Å; T927-F947 WeakPolarHBondContact OG1-CE1 3.21Å; T927-F947 VanDerWaalsContact OG1-CZ 3.31Å; T927-F947 WeakPolarHBondContact OG1-CZ 3.26Å; T927-L976 HydrophobicContact CG2-CD2 4.4Å
928	A	98.3	Very high	96.6	Very high	17 Å²	17	44 Å²	44	14%	0.14	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.4	177.5	0	0	0	0	0	109	V878 A879 W926 L937 L938	V878-A928 CarbonylContact C-O 3.58Å; V878-A928 WeakPolarHBondContact CA-O 3.44Å; A879-A928 PolarHBondContact N-O 3.3Å; A879-A928 PolarHBondContact O-N 3.03Å; W926-A928 HydrophobicContact CZ3-CB 4.27Å; A928-L937 CarbonylContact C-O 3.48Å; A928-L937 VanDerWaalsContact CA-O 3.28Å; A928-L937 WeakPolarHBondContact CA-O 3.5Å; A928-L938 HydrophobicContact CB-CD1 3.99Å
929	L	98.4	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118	174.1	-69.9	95.6	0	0	0	107.6	I871 Q877 V878 V905 T927 G936 L937 F947 A949 I972 L974	I871-L929 HydrophobicContact CD1-CB 4Å; I871-L929 HydrophobicContact CD1-CD2 3.85Å; I871-L929 HydrophobicContact CD1-CG 4.39Å; Q877-L929 CarbonylContact O-C 3.35Å; Q877-L929 WeakPolarHBondContact O-CA 3.15Å; V878-L929 HydrophobicContact CG2-CD2 4.18Å; V878-L929 HydrophobicContact CG2-CG 4.25Å; V905-L929 HydrophobicContact CG2-CD2 4.25Å; T927-L929 HydrophobicContact CG2-CD1 4.33Å; L929-G936 CarbonylContact O-C 3.46Å; L929-G936 VanDerWaalsContact O-CA 3.23Å; L929-G936 WeakPolarHBondContact O-CA 3.39Å; L929-L937 PolarHBondContact N-O 2.79Å; L929-L937 PolarHBondContact O-N 3.47Å; L929-F947 HydrophobicContact CD1-CE2 3.93Å; L929-F947 HydrophobicContact CD1-CZ 4.12Å; L929-A949 HydrophobicContact CD2-CB 3.94Å; L929-I972 HydrophobicContact CD2-CG2 4.32Å; L929-L974 HydrophobicContact CD1-CD1 4Å; L929-L974 HydrophobicContact CD1-CD2 4.47Å; L929-L974 HydrophobicContact CD2-CD1 4.48Å
930	T	98.2	Very high	96.5	Very high	38 Å²	38	49.9 Å²	49.9	23%	0.233	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156	-171.2	60	0	0	0	0	111.8	Y875 D876 Q877 N935	Y875-T930 CarbonylContact C-O 3.53Å; Y875-T930 VanDerWaalsContact C-O 3.31Å; Y875-T930 WeakPolarHBondContact CA-O 3.46Å; D876-T930 PolarHBondContact N-O 2.89Å; Q877-T930 WeakPolarHBondContact CA-O 3.37Å; Q877-T930 WeakPolarHBondContact CB-O 3.31Å; Q877-T930 WeakPolarHBondContact CG-O 3.37Å; Q877-T930 PolarHBondContact N-O 3.09Å; Q877-T930 PolarHBondContact O-N 3.37Å; T930-N935 CarbonylContact C-O 3.53Å; T930-N935 WeakPolarHBondContact CA-O 3.27Å; T930-N935 WeakPolarHBondContact CB-O 3.19Å
931	N	96.1	Very high	96.4	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.048	27%	0.269	C	S	.	.			trans	-78.9	177.9	164.8	67.8	18.4	0	0	0	110.7	E874 Y875 H933 G934 N935	E874-N931 HydrophobicContact CB-CB 4.31Å; E874-N931 WeakPolarHBondContact O-CA 3.08Å; E874-N931 VanDerWaalsContact O-CB 3.28Å; E874-N931 WeakPolarHBondContact O-CB 3.27Å; Y875-N931 HydrophobicContact CD1-CB 4.03Å; Y875-N931 HydrophobicContact CE1-CB 4.4Å; N931-H933 PolarHBondContact O-N 3.19Å; N931-H933 WeakPolarHBondContact OD1-CA 3.34Å; N931-H933 WeakPolarHBondContact OD1-CB 3.45Å; N931-H933 PolarHBondContact OD1-N 3.31Å; N931-G934 PolarHBondContact O-N 2.98Å; N931-G934 PolarHBondContact OD1-N 2.88Å; N931-G934 VanDerWaalsContact OD1-N 3.16Å; N931-N935 PolarHBondContact N-O 3.39Å; N931-N935 PolarHBondContact OD1-N 3.29Å; N931-N935 PolarHBondContact OD1-O 3.05Å
932	R	93.6	Very high	96.1	Very high	214 Å²	214	60.3 Å²	60.3	81%	0.808	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.1	179.6	-59.8	-177.9	-176.4	-173.1	1	114.4
933	H	93.1	Very high	95.9	Very high	165 Å²	165	68.7 Å²	68.7	76%	0.764	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.9	176.1	-59.4	-60.2	0	0	0	113	N931	N931-H933 PolarHBondContact O-N 3.19Å; N931-H933 WeakPolarHBondContact OD1-CA 3.34Å; N931-H933 WeakPolarHBondContact OD1-CB 3.45Å; N931-H933 PolarHBondContact OD1-N 3.31Å
934	G	92.1	Very high	95.9	Very high	51 Å²	51	68.6 Å²	68.6	53%	0.526	35%	0.348	S	S	.	.	S	Bend	trans	84.7	6.8	-178.1	0	0	0	0	0	114.5	N931	N931-G934 PolarHBondContact O-N 2.98Å; N931-G934 PolarHBondContact OD1-N 2.88Å; N931-G934 VanDerWaalsContact OD1-N 3.16Å
935	N	93.7	Very high	95.8	Very high	57 Å²	57	69.7 Å²	69.7	31%	0.305	35%	0.354	S	S	.	.			trans	-80.1	141.5	170.3	-64.4	-25.8	0	0	0	109.3	E764 Y875 T930 N931	E764-N935 PolarHBondContact OE1-ND2 3.04Å; E764-N935 VanDerWaalsContact OE2-CB 3.24Å; E764-N935 WeakPolarHBondContact OE2-CB 3.48Å; E764-N935 PolarHBondContact OE2-ND2 3.26Å; E764-N935 VanDerWaalsContact OE2-ND2 3.15Å; Y875-N935 WeakPolarHBondContact CD1-O 3.42Å; Y875-N935 WeakPolarHBondContact CE1-O 3.21Å; T930-N935 CarbonylContact C-O 3.53Å; T930-N935 WeakPolarHBondContact CA-O 3.27Å; T930-N935 WeakPolarHBondContact CB-O 3.19Å; N931-N935 PolarHBondContact N-O 3.39Å; N931-N935 PolarHBondContact OD1-N 3.29Å; N931-N935 PolarHBondContact OD1-O 3.05Å
936	G	95.4	Very high	95.9	Very high	32 Å²	32	67.9 Å²	67.9	33%	0.33	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-151.9	-179.5	0	0	0	0	0	114.7	L929	L929-G936 CarbonylContact O-C 3.46Å; L929-G936 VanDerWaalsContact O-CA 3.23Å; L929-G936 WeakPolarHBondContact O-CA 3.39Å
937	L	95.7	Very high	95.9	Very high	21 Å²	21	64.8 Å²	64.8	11%	0.11	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.8	-177.6	178.3	66.7	0	0	0	110.2	L766 M869 I871 A928 L929 V939 L974	L766-L937 HydrophobicContact CD1-CB 4.23Å; L766-L937 HydrophobicContact CD1-CD1 4.09Å; M869-L937 HydrophobicContact SD-CD2 4.45Å; I871-L937 HydrophobicContact CG2-CD2 4.23Å; A928-L937 CarbonylContact C-O 3.48Å; A928-L937 VanDerWaalsContact CA-O 3.28Å; A928-L937 WeakPolarHBondContact CA-O 3.5Å; L929-L937 PolarHBondContact N-O 2.79Å; L929-L937 PolarHBondContact O-N 3.47Å; L937-V939 HydrophobicContact CD2-CG2 3.89Å; L937-V939 HydrophobicContact CG-CG2 3.94Å; L937-L974 HydrophobicContact CD2-CD2 3.62Å
938	L	96.5	Very high	95.9	Very high	109 Å²	109	64.8 Å²	64.8	57%	0.571	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.4	166	175	69.6	0	0	0	108.6	W926 A928 V940	W926-L938 HydrophobicContact CB-CD1 4.39Å; W926-L938 HydrophobicContact CE3-CD1 4.1Å; A928-L938 HydrophobicContact CB-CD1 3.99Å; L938-V940 HydrophobicContact CD1-CG2 4.31Å; L938-V940 HydrophobicContact CD2-CG2 4.05Å; L938-V940 HydrophobicContact CG-CG2 3.93Å
939	V	97.3	Very high	95.9	Very high	24 Å²	24	64 Å²	64	15%	0.145	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.6	175.5	-177.3	0	0	0	0	108.7	W926 T927 L937 L974 L976	W926-V939 CarbonylContact C-O 3.53Å; W926-V939 WeakPolarHBondContact CA-O 3.34Å; W926-V939 WeakPolarHBondContact CB-O 3.43Å; T927-V939 HydrophobicContact CG2-CB 3.89Å; T927-V939 HydrophobicContact CG2-CG2 4.33Å; T927-V939 PolarHBondContact N-O 3.42Å; T927-V939 PolarHBondContact O-N 3.13Å; L937-V939 HydrophobicContact CD2-CG2 3.89Å; L937-V939 HydrophobicContact CG-CG2 3.94Å; V939-L974 HydrophobicContact CG2-CD2 4.49Å; V939-L976 HydrophobicContact CG1-CD1 3.84Å; V939-L976 HydrophobicContact CG1-CD2 4.07Å; V939-L976 HydrophobicContact CG2-CD1 4.17Å; V939-L976 HydrophobicContact CG2-CD2 4.44Å
940	V	96	Very high	95.9	Very high	102 Å²	102	64.2 Å²	64.2	62%	0.618	33%	0.331	S	S	*	.			trans	-125.3	96.1	176.5	-173	0	0	0	0	108.6	W926 L938	W926-V940 HydrophobicContact CB-CG2 4.1Å; L938-V940 HydrophobicContact CD1-CG2 4.31Å; L938-V940 HydrophobicContact CD2-CG2 4.05Å; L938-V940 HydrophobicContact CG-CG2 3.93Å
941	P	95.5	Very high	95.9	Very high	30 Å²	30	62.8 Å²	62.8	20%	0.195	32%	0.321	C	S	.	.			trans	-74.6	153.2	178.6	35.1	-41.6	0	0	0	111.9	R925 R943 I945	R925-P941 WeakPolarHBondContact O-CD 3.31Å; P941-R943 WeakPolarHBondContact CB-O 3.35Å; P941-R943 WeakPolarHBondContact CG-O 3.33Å; P941-R943 PolarHBondContact O-N 3.36Å; P941-I945 HydrophobicContact CB-CD1 4.15Å; P941-I945 HydrophobicContact CB-CG1 4.39Å; P941-I945 HydrophobicContact CB-CG2 3.71Å; P941-I945 HydrophobicContact CG-CD1 4.02Å; P941-I945 HydrophobicContact CG-CG1 3.99Å; P941-I945 HydrophobicContact CG-CG2 4.09Å
942	Q	92.1	Very high	96	Very high	199 Å²	199	64.1 Å²	64.1	93%	0.93	33%	0.326	S	S	*	.	S	Bend	trans	-69.6	-23	176.3	-68.4	-174.3	-13.3	0	0	113.4
943	R	93.6	Very high	96.1	Very high	190 Å²	190	55.4 Å²	55.4	72%	0.717	30%	0.297	S	S	*	.	S	Bend	trans	-134.7	150.9	174.2	-64.8	-177.7	-177.8	177.7	0.3	107.8	P941 I945	P941-R943 WeakPolarHBondContact CB-O 3.35Å; P941-R943 WeakPolarHBondContact CG-O 3.33Å; P941-R943 PolarHBondContact O-N 3.36Å; R943-I945 WeakPolarHBondContact O-CG2 3.44Å; R943-I945 PolarHBondContact O-N 3.28Å
944	P	96.5	Very high	96.2	Very high	66 Å²	66	48.1 Å²	48.1	43%	0.429	26%	0.263	S	S	.	.			trans	-54.9	138.4	176.9	-24	33.5	0	0	0	111.9	H923 V924 R925	H923-P944 HydrophobicContact CB-CB 4.34Å; V924-P944 WeakPolarHBondContact O-CA 3.48Å; R925-P944 HydrophobicContact CG-CG 4.43Å
945	I	97.7	Very high	96.4	Very high	23 Å²	23	50.7 Å²	50.7	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	174.9	-179.5	64.3	-179	0	0	0	111.1	H923 V924 P941 R943 L976	H923-I945 PolarHBondContact N-O 2.6Å; H923-I945 VanDerWaalsContact N-O 3.16Å; V924-I945 HydrophobicContact CB-CG1 4.29Å; V924-I945 PolarHBondContact N-O 2.95Å; V924-I945 PolarHBondContact O-N 3.33Å; V924-I945 VanDerWaalsContact O-N 3.08Å; P941-I945 HydrophobicContact CB-CD1 4.15Å; P941-I945 HydrophobicContact CB-CG1 4.39Å; P941-I945 HydrophobicContact CB-CG2 3.71Å; P941-I945 HydrophobicContact CG-CD1 4.02Å; P941-I945 HydrophobicContact CG-CG1 3.99Å; P941-I945 HydrophobicContact CG-CG2 4.09Å; R943-I945 WeakPolarHBondContact O-CG2 3.44Å; R943-I945 PolarHBondContact O-N 3.28Å; I945-L976 HydrophobicContact CD1-CB 3.99Å; I945-L976 HydrophobicContact CD1-CD2 3.78Å; I945-L976 HydrophobicContact CD1-CG 4.44Å
946	N	98.3	Very high	96.6	Very high	13 Å²	13	49 Å²	49	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	148.5	162.2	-45.9	-92.3	0	0	0	109.4	N920 R921 Q922 D977	N920-N946 WeakPolarHBondContact OD1-CB 3.46Å; R921-N946 CarbonylContact O-C 3.45Å; R921-N946 VanDerWaalsContact O-CA 3.23Å; R921-N946 WeakPolarHBondContact O-CA 3.15Å; Q922-N946 VanDerWaalsContact CG-OD1 3.29Å; Q922-N946 WeakPolarHBondContact CG-OD1 3.31Å; Q922-N946 PolarHBondContact NE2-OD1 3.09Å; N946-D977 HydrophobicContact CB-CB 4.17Å; N946-D977 PolarHBondContact N-O 3.05Å; N946-D977 PolarHBondContact ND2-O 2.92Å; N946-D977 PolarHBondContact O-N 3.11Å
947	F	97.7	Very high	96.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.6	-173.6	159	-110.6	0	0	0	110.3	V878 Y880 M908 N920 R921 V924 T927 L929 A949 L974 N975 L976	V878-F947 HydrophobicContact CG1-CE1 3.82Å; V878-F947 HydrophobicContact CG1-CZ 3.76Å; Y880-F947 HydrophobicContact CD1-CE1 4.3Å; M908-F947 HydrophobicContact CE-CD1 3.97Å; M908-F947 HydrophobicContact CE-CE1 3.46Å; M908-F947 VanDerWaalsContact CE-CE1 3.46Å; M908-F947 HydrophobicContact CE-CZ 4.27Å; M908-F947 HydrophobicContact SD-CE1 3.94Å; M908-F947 HydrophobicContact SD-CZ 4.39Å; N920-F947 CarbonylContact C-O 3.52Å; R921-F947 HydrophobicContact CB-CD1 4.35Å; R921-F947 HydrophobicContact CG-CD1 4.47Å; R921-F947 PolarHBondContact N-O 2.86Å; R921-F947 PolarHBondContact O-N 2.88Å; V924-F947 HydrophobicContact CB-CB 4.27Å; V924-F947 HydrophobicContact CG1-CB 4.39Å; V924-F947 HydrophobicContact CG2-CB 3.9Å; V924-F947 HydrophobicContact CG2-CD1 4.49Å; T927-F947 HydrophobicContact CG2-CD2 3.86Å; T927-F947 HydrophobicContact CG2-CE2 3.98Å; T927-F947 HydrophobicContact CG2-CG 4.26Å; T927-F947 HydrophobicContact CG2-CZ 4.46Å; T927-F947 WeakPolarHBondContact OG1-CE1 3.21Å; T927-F947 VanDerWaalsContact OG1-CZ 3.31Å; T927-F947 WeakPolarHBondContact OG1-CZ 3.26Å; L929-F947 HydrophobicContact CD1-CE2 3.93Å; L929-F947 HydrophobicContact CD1-CZ 4.12Å; F947-A949 HydrophobicContact CE2-CB 4.16Å; F947-A949 HydrophobicContact CZ-CB 4.12Å; F947-L974 HydrophobicContact CD2-CD1 3.73Å; F947-L974 HydrophobicContact CE2-CD1 3.37Å; F947-N975 WeakPolarHBondContact CA-O 3.33Å; F947-L976 HydrophobicContact CD2-CD2 4.23Å
948	S	98.2	Very high	96.7	Very high	1 Å²	1	49 Å²	49	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.7	165.4	58.9	0	0	0	0	110.3	W950 N975	S948-W950 WeakPolarHBondContact OG-CZ2 3.4Å; S948-N975 PolarHBondContact N-O 3.38Å; S948-N975 PolarHBondContact O-N 3.48Å; S948-N975 WeakPolarHBondContact OG-CB 3.2Å; S948-N975 PolarHBondContact OG-ND2 3.18Å
949	A	98.4	Very high	96.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.8	176.8	0	0	0	0	0	109.2	V905 L929 F947 I972 T973	V905-A949 HydrophobicContact CG1-CB 4.23Å; V905-A949 HydrophobicContact CG2-CB 4.05Å; L929-A949 HydrophobicContact CD2-CB 3.94Å; F947-A949 HydrophobicContact CE2-CB 4.16Å; F947-A949 HydrophobicContact CZ-CB 4.12Å; A949-I972 HydrophobicContact CB-CG2 3.97Å; A949-T973 CarbonylContact C-O 3.47Å; A949-T973 VanDerWaalsContact CA-O 3.31Å; A949-T973 WeakPolarHBondContact CA-O 3.39Å
950	W	98.1	Very high	96.7	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.011	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.4	-176.4	-49.5	-41.4	0	0	0	111.3	P778 F909 N917 N918 S948 Y952 Q954 I957 I972 T973 N975	P778-W950 HydrophobicContact CG-CH2 4.24Å; P778-W950 HydrophobicContact CG-CZ3 4.35Å; F909-W950 HydrophobicContact CD2-CB 4.37Å; F909-W950 AromaticContact CD2-CD1 3.64Å; F909-W950 HydrophobicContact CD2-CG 4.18Å; F909-W950 HydrophobicContact CE2-CG 4.31Å; N917-W950 WeakPolarHBondContact ND2-CH2 3.35Å; N917-W950 WeakPolarHBondContact ND2-CZ2 3.3Å; N918-W950 PolarHBondContact O-NE1 2.92Å; S948-W950 WeakPolarHBondContact OG-CZ2 3.4Å; W950-Y952 PolarHBondContact O-N 2.89Å; W950-Q954 HydrophobicContact CZ3-CB 4.45Å; W950-I957 HydrophobicContact CB-CD1 4.41Å; W950-I957 HydrophobicContact CD2-CD1 3.59Å; W950-I957 HydrophobicContact CE3-CD1 3.47Å; W950-I957 VanDerWaalsContact CE3-CD1 3.47Å; W950-I957 HydrophobicContact CG-CD1 4.02Å; W950-I957 HydrophobicContact CZ3-CD1 3.96Å; W950-I972 CarbonylContact O-C 3.35Å; W950-I972 WeakPolarHBondContact O-CA 3.43Å; W950-T973 HydrophobicContact CE3-CG2 4.1Å; W950-T973 PolarHBondContact N-O 2.89Å; W950-T973 PolarHBondContact O-N 2.81Å; W950-N975 VanDerWaalsContact CH2-ND2 3.26Å; W950-N975 WeakPolarHBondContact CH2-ND2 3.37Å; W950-N975 WeakPolarHBondContact CZ3-ND2 3.41Å
951	H	98	Very high	96.7	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.042	23%	0.231	C	C	.	.	S	Bend	trans	-83.2	29.9	162.5	-73.5	-72.2	0	0	0	112.2	V905 D906 R968 S969 I972	V905-H951 WeakPolarHBondContact CG1-CD2 3.21Å; D906-H951 IonicContact OD1-CD2 2.65Å; D906-H951 PolarHBondContact OD1-CD2 3.14Å; D906-H951 VanDerWaalsContact OD1-CD2 3.24Å; D906-H951 IonicContact OD1-NE2 3.8Å; H951-R968 HydrophobicContact CB-CG 3.83Å; H951-R968 VanDerWaalsContact CD2-CZ 3.48Å; H951-R968 PolarHBondContact CD2-NH2 3.32Å; H951-R968 VanDerWaalsContact CG-CZ 3.47Å; H951-R968 PolarHBondContact NE2-NH2 2.87Å; H951-R968 CarbonylContact O-C 3.59Å; H951-R968 WeakPolarHBondContact O-CA 3.47Å; H951-S969 PolarHBondContact O-N 2.82Å; H951-I972 VanDerWaalsContact CE1-CG1 3.4Å; H951-I972 WeakPolarHBondContact CE1-CG1 3.39Å
952	Y	97.9	Very high	96.8	Very high	36 Å²	36	44.7 Å²	44.7	14%	0.141	22%	0.223	C	C	.	.	S	Bend	trans	-139.9	151	-179.4	-55.1	-76.2	0	0	0	108.7	F909 W950 N956 L966 Q967 R968 T973	F909-Y952 HydrophobicContact CD1-CE2 4.18Å; F909-Y952 HydrophobicContact CD2-CD2 4.05Å; F909-Y952 HydrophobicContact CD2-CE2 4.24Å; F909-Y952 HydrophobicContact CE1-CD2 4.26Å; F909-Y952 AromaticContact CE1-CE2 3.83Å; F909-Y952 HydrophobicContact CE1-CE2 3.83Å; F909-Y952 AromaticContact CE2-CD2 3.52Å; F909-Y952 HydrophobicContact CE2-CD2 3.52Å; F909-Y952 AromaticContact CE2-CE2 3.91Å; F909-Y952 HydrophobicContact CE2-CE2 3.91Å; F909-Y952 HydrophobicContact CG-CE2 4.37Å; F909-Y952 AromaticContact CZ-CD2 3.64Å; F909-Y952 HydrophobicContact CZ-CD2 3.64Å; F909-Y952 AromaticContact CZ-CE2 3.69Å; F909-Y952 HydrophobicContact CZ-CE2 3.69Å; W950-Y952 PolarHBondContact O-N 2.89Å; Y952-N956 WeakPolarHBondContact CD1-OD1 3.43Å; Y952-L966 HydrophobicContact CD1-CB 3.88Å; Y952-L966 HydrophobicContact CD1-CD2 4.46Å; Y952-L966 HydrophobicContact CE1-CB 3.53Å; Y952-L966 HydrophobicContact CE2-CD1 4.46Å; Y952-Q967 WeakPolarHBondContact CD1-O 3.2Å; Y952-R968 HydrophobicContact CE1-CB 4.05Å; Y952-T973 VanDerWaalsContact O-CB 3.25Å; Y952-T973 WeakPolarHBondContact O-CB 3.44Å; Y952-T973 PolarHBondContact O-OG1 3.47Å
953	T	96.5	Very high	97	Very high	32 Å²	32	36 Å²	36	20%	0.196	18%	0.184	C	C	.	.			trans	-78.5	153.1	170.3	59.9	0	0	0	0	109.9	E955 N956 I957	T953-E955 PolarHBondContact O-N 3.47Å; T953-N956 PolarHBondContact O-N 3.45Å; T953-N956 VanDerWaalsContact O-N 3.13Å; T953-N956 VanDerWaalsContact OG1-CB 3.23Å; T953-N956 WeakPolarHBondContact OG1-CB 3.27Å; T953-N956 PolarHBondContact OG1-N 3.11Å; T953-N956 VanDerWaalsContact OG1-N 3.11Å; T953-I957 PolarHBondContact O-N 3.38Å
954	Q	95.8	Very high	97	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-54.9	-41.5	172.7	167.8	171.6	-65.6	0	0	111.2	N774 F776 P778 W950 N956 I957 H958	N774-Q954 PolarHBondContact ND2-OE1 2.82Å; F776-Q954 HydrophobicContact CD1-CG 4.49Å; F776-Q954 PolarHBondContact O-NE2 3.06Å; F776-Q954 PolarHBondContact O-OE1 3.28Å; P778-Q954 HydrophobicContact CG-CG 4.08Å; W950-Q954 HydrophobicContact CZ3-CB 4.45Å; Q954-N956 VanDerWaalsContact C-N 3.33Å; Q954-N956 PolarHBondContact O-N 3.43Å; Q954-I957 PolarHBondContact O-N 2.85Å; Q954-H958 VanDerWaalsContact O-CB 3.27Å; Q954-H958 WeakPolarHBondContact O-CB 3.36Å; Q954-H958 PolarHBondContact O-N 3.08Å
955	E	95.7	Very high	97	Very high	104 Å²	104	30.4 Å²	30.4	49%	0.486	16%	0.161	S	C	.	.	H	α-helix	trans	-65.7	-36.4	179.6	-62.5	78	-172.4	0	0	111.7	K772 T953 A959	K772-E955 IonicContact NZ-OE1 2.71Å; T953-E955 PolarHBondContact O-N 3.47Å; E955-A959 WeakPolarHBondContact O-CB 3.11Å; E955-A959 PolarHBondContact O-N 2.48Å
956	N	97.2	Very high	96.9	Very high	23 Å²	23	30.2 Å²	30.2	12%	0.123	16%	0.161	C	C	.	.	H	α-helix	trans	-69.6	-45.6	175.3	175.7	-125.3	0	0	0	112.3	Y952 T953 Q954 H958 A959 A960 Q967	Y952-N956 WeakPolarHBondContact CD1-OD1 3.43Å; T953-N956 PolarHBondContact O-N 3.45Å; T953-N956 VanDerWaalsContact O-N 3.13Å; T953-N956 VanDerWaalsContact OG1-CB 3.23Å; T953-N956 WeakPolarHBondContact OG1-CB 3.27Å; T953-N956 PolarHBondContact OG1-N 3.11Å; T953-N956 VanDerWaalsContact OG1-N 3.11Å; Q954-N956 VanDerWaalsContact C-N 3.33Å; Q954-N956 PolarHBondContact O-N 3.43Å; N956-H958 VanDerWaalsContact C-N 3.31Å; N956-H958 PolarHBondContact O-N 3.35Å; N956-A959 PolarHBondContact O-N 3.12Å; N956-A960 WeakPolarHBondContact O-CB 3.46Å; N956-A960 PolarHBondContact O-N 3.13Å; N956-Q967 PolarHBondContact ND2-N 3.39Å; N956-Q967 PolarHBondContact OD1-N 3.01Å; N956-Q967 PolarHBondContact OD1-O 2.76Å
957	I	97.9	Very high	96.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-42.5	176.6	-61.3	171.3	0	0	0	110.4	P778 F909 P915 Q916 W950 T953 Q954 A959 L966	P778-I957 HydrophobicContact CB-CB 4.12Å; P778-I957 HydrophobicContact CB-CG2 3.62Å; P778-I957 HydrophobicContact CG-CB 3.83Å; P778-I957 HydrophobicContact CG-CG2 3.73Å; F909-I957 HydrophobicContact CE2-CD1 4.01Å; P915-I957 HydrophobicContact CB-CG2 4.34Å; Q916-I957 WeakPolarHBondContact O-CG2 3.39Å; W950-I957 HydrophobicContact CB-CD1 4.41Å; W950-I957 HydrophobicContact CD2-CD1 3.59Å; W950-I957 HydrophobicContact CE3-CD1 3.47Å; W950-I957 VanDerWaalsContact CE3-CD1 3.47Å; W950-I957 HydrophobicContact CG-CD1 4.02Å; W950-I957 HydrophobicContact CZ3-CD1 3.96Å; T953-I957 PolarHBondContact O-N 3.38Å; Q954-I957 PolarHBondContact O-N 2.85Å; I957-A959 VanDerWaalsContact C-N 3.33Å; I957-A959 PolarHBondContact O-N 2.83Å; I957-L966 HydrophobicContact CG1-CD2 4.24Å
958	H	96.6	Very high	96.7	Very high	52 Å²	52	42.5 Å²	42.5	24%	0.241	21%	0.212	C	C	.	.	H	α-helix	trans	-70.1	-26.8	-179.4	-174.2	69.5	0	0	0	113.9	F776 P778 M779 Y787 Q954 N956	F776-H958 AromaticContact CE1-CG 3.93Å; F776-H958 AromaticContact CE1-ND1 3.81Å; F776-H958 AromaticContact CZ-CE1 3.62Å; F776-H958 AromaticContact CZ-ND1 3.67Å; P778-H958 HydrophobicContact CB-CB 4.2Å; M779-H958 PolarHBondContact N-ND1 3.5Å; Y787-H958 AromaticContact CE2-CE1 3.59Å; Y787-H958 AromaticContact CE2-NE2 3.83Å; Y787-H958 AromaticContact CZ-CE1 3.76Å; Y787-H958 AromaticContact CZ-NE2 3.74Å; Y787-H958 PolarHBondContact OH-NE2 2.97Å; Q954-H958 VanDerWaalsContact O-CB 3.27Å; Q954-H958 WeakPolarHBondContact O-CB 3.36Å; Q954-H958 PolarHBondContact O-N 3.08Å; N956-H958 VanDerWaalsContact C-N 3.31Å; N956-H958 PolarHBondContact O-N 3.35Å
959	A	96.6	Very high	96.6	Very high	73 Å²	73	43.5 Å²	43.5	60%	0.603	22%	0.219	S	C	*	.	H	α-helix	trans	-91.1	-26.4	-177.6	0	0	0	0	0	113.7	E955 N956 I957	E955-A959 WeakPolarHBondContact O-CB 3.11Å; E955-A959 PolarHBondContact O-N 2.48Å; N956-A959 PolarHBondContact O-N 3.12Å; I957-A959 VanDerWaalsContact C-N 3.33Å; I957-A959 PolarHBondContact O-N 2.83Å
960	A	97.3	Very high	96.4	Very high	6 Å²	6	51.4 Å²	51.4	5%	0.05	26%	0.262	C	S	.	.			trans	-71.7	133.2	-179.1	0	0	0	0	0	110.7	P915 N956 E965 L966	P915-A960 HydrophobicContact CB-CB 4.14Å; P915-A960 HydrophobicContact CG-CB 3.87Å; N956-A960 WeakPolarHBondContact O-CB 3.46Å; N956-A960 PolarHBondContact O-N 3.13Å; A960-E965 HydrophobicContact CB-CB 4.04Å; A960-L966 HydrophobicContact CB-CD2 3.81Å; A960-L966 HydrophobicContact CB-CG 4.34Å
961	Q	96	Very high	96.4	Very high	90 Å²	90	51.9 Å²	51.9	42%	0.421	26%	0.264	S	S	.	.	S	Bend	trans	-95.1	-22.8	172	-63.3	-176.3	8.9	0	0	111	F575 F914 P915 E965	F575-Q961 HydrophobicContact CZ-CB 4.5Å; F575-Q961 WeakPolarHBondContact CZ-O 3.28Å; F914-Q961 WeakPolarHBondContact CD2-O 3.08Å; F914-Q961 HydrophobicContact CE2-CB 4.09Å; F914-Q961 HydrophobicContact CE2-CG 4.34Å; P915-Q961 WeakPolarHBondContact CD-O 3.11Å; Q961-E965 PolarHBondContact N-OE2 2.94Å
962	H	97.3	Very high	96.4	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.028	26%	0.262	C	S	.	.	S	Bend	trans	-127.5	147.8	178.9	-57.5	97.4	0	0	0	112.1	W572 F575 D578 P915 N964 E965	W572-H962 HydrophobicContact CE3-CB 4.17Å; W572-H962 AromaticContact CE3-CD2 3.65Å; W572-H962 AromaticContact CE3-CG 3.97Å; W572-H962 HydrophobicContact CZ3-CB 4.39Å; W572-H962 AromaticContact CZ3-CD2 3.39Å; W572-H962 WeakPolarHBondContact CZ3-CD2 3.18Å; W572-H962 AromaticContact CZ3-CG 3.75Å; W572-H962 AromaticContact CZ3-NE2 3.66Å; F575-H962 AromaticContact CE1-CD2 3.36Å; F575-H962 WeakPolarHBondContact CE1-CD2 3.36Å; F575-H962 AromaticContact CE1-NE2 3.31Å; F575-H962 VanDerWaalsContact CE1-NE2 3.31Å; F575-H962 WeakPolarHBondContact CE1-NE2 3.43Å; F575-H962 AromaticContact CE2-NE2 3.78Å; F575-H962 AromaticContact CZ-CD2 3.6Å; F575-H962 AromaticContact CZ-CE1 3.81Å; F575-H962 AromaticContact CZ-NE2 3.14Å; F575-H962 WeakPolarHBondContact CZ-NE2 3.44Å; D578-H962 IonicContact OD1-CE1 2.64Å; D578-H962 PolarHBondContact OD1-CE1 2.85Å; D578-H962 IonicContact OD1-NE2 3.38Å; D578-H962 PolarHBondContact OD1-NE2 2.81Å; D578-H962 IonicContact OD2-CD2 3.44Å; D578-H962 IonicContact OD2-CE1 3.34Å; D578-H962 IonicContact OD2-NE2 3.34Å; D578-H962 PolarHBondContact OD2-NE2 2.92Å; P915-H962 WeakPolarHBondContact CG-O 3.15Å; H962-N964 WeakPolarHBondContact CB-OD1 3.49Å; H962-N964 PolarHBondContact O-N 3.31Å; H962-E965 HydrophobicContact CB-CG 4.07Å; H962-E965 IonicContact CE1-OE1 3.71Å; H962-E965 IonicContact CG-OE1 2.78Å; H962-E965 PolarHBondContact N-OE2 2.9Å; H962-E965 IonicContact ND1-OE1 3.17Å; H962-E965 PolarHBondContact ND1-OE1 2.53Å; H962-E965 WeakPolarHBondContact O-CB 3.15Å; H962-E965 PolarHBondContact O-N 3.15Å
963	C	94.8	Very high	96.5	Very high	16 Å²	16	49.9 Å²	49.9	11%	0.108	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-59.5	-28.5	179.1	65.2	0	0	0	0	114.1	P913 E965 L966	P913-C963 PolarHBondContact O-N 3.41Å; P913-C963 VanDerWaalsContact O-N 3.1Å; C963-E965 VanDerWaalsContact C-N 3.32Å; C963-L966 WeakPolarHBondContact O-CB 3.43Å; C963-L966 WeakPolarHBondContact O-CG 3.25Å; C963-L966 PolarHBondContact O-N 2.87Å
964	N	94.9	Very high	96.5	Very high	55 Å²	55	48.4 Å²	48.4	29%	0.294	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-79.9	-8.2	175.7	65.2	-23.2	0	0	0	113.9	W572 H962 L966	W572-N964 HydrophobicContact CB-CB 4.22Å; W572-N964 HydrophobicContact CG-CB 4.41Å; H962-N964 WeakPolarHBondContact CB-OD1 3.49Å; H962-N964 PolarHBondContact O-N 3.31Å; N964-L966 VanDerWaalsContact C-N 3.33Å
965	E	96.2	Very high	96.7	Very high	83 Å²	83	47.9 Å²	47.9	39%	0.388	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-85.3	-10	171.7	-64.3	169.8	-178.6	0	0	112.4	A960 Q961 H962 C963 Q967	A960-E965 HydrophobicContact CB-CB 4.04Å; Q961-E965 PolarHBondContact N-OE2 2.94Å; H962-E965 HydrophobicContact CB-CG 4.07Å; H962-E965 IonicContact CE1-OE1 3.71Å; H962-E965 IonicContact CG-OE1 2.78Å; H962-E965 PolarHBondContact N-OE2 2.9Å; H962-E965 IonicContact ND1-OE1 3.17Å; H962-E965 PolarHBondContact ND1-OE1 2.53Å; H962-E965 WeakPolarHBondContact O-CB 3.15Å; H962-E965 PolarHBondContact O-N 3.15Å; C963-E965 VanDerWaalsContact C-N 3.32Å; E965-Q967 PolarHBondContact O-N 3.27Å
966	L	96.2	Very high	96.8	Very high	19 Å²	19	44 Å²	44	10%	0.099	23%	0.227	C	C	.	.			trans	-64.1	124.7	177.4	-69.1	175.4	0	0	0	110.6	F909 P915 Y952 I957 A960 C963 N964	F909-L966 HydrophobicContact CE1-CD1 4.01Å; F909-L966 HydrophobicContact CZ-CD1 3.86Å; P915-L966 HydrophobicContact CB-CD1 4.32Å; P915-L966 HydrophobicContact CB-CD2 3.96Å; P915-L966 HydrophobicContact CB-CG 4.32Å; P915-L966 HydrophobicContact CG-CD1 4.11Å; P915-L966 HydrophobicContact CG-CD2 4.11Å; P915-L966 HydrophobicContact CG-CG 4Å; Y952-L966 HydrophobicContact CD1-CB 3.88Å; Y952-L966 HydrophobicContact CD1-CD2 4.46Å; Y952-L966 HydrophobicContact CE1-CB 3.53Å; Y952-L966 HydrophobicContact CE2-CD1 4.46Å; I957-L966 HydrophobicContact CG1-CD2 4.24Å; A960-L966 HydrophobicContact CB-CD2 3.81Å; A960-L966 HydrophobicContact CB-CG 4.34Å; C963-L966 WeakPolarHBondContact O-CB 3.43Å; C963-L966 WeakPolarHBondContact O-CG 3.25Å; C963-L966 PolarHBondContact O-N 2.87Å; N964-L966 VanDerWaalsContact C-N 3.33Å
967	Q	95.6	Very high	96.8	Very high	147 Å²	147	43.2 Å²	43.2	69%	0.687	22%	0.223	S	C	*	.			trans	-101.6	103.3	-178.4	-67.7	-178	8.5	0	0	109.2	Y952 N956 E965 S969	Y952-Q967 WeakPolarHBondContact CD1-O 3.2Å; N956-Q967 PolarHBondContact ND2-N 3.39Å; N956-Q967 PolarHBondContact OD1-N 3.01Å; N956-Q967 PolarHBondContact OD1-O 2.76Å; E965-Q967 PolarHBondContact O-N 3.27Å; Q967-S969 PolarHBondContact O-N 3.45Å
968	R	95.6	Very high	96.7	Very high	125 Å²	125	48 Å²	48	47%	0.472	25%	0.246	S	C	.	.			trans	-57.6	126.1	179.1	-165.4	-177.1	-179	88.1	-8.9	110	D906 H951 Y952	D906-R968 IonicContact OD1-CZ 3.3Å; D906-R968 VanDerWaalsContact OD1-CZ 3.24Å; D906-R968 IonicContact OD1-NH1 3.1Å; D906-R968 PolarHBondContact OD1-NH1 2.94Å; D906-R968 IonicContact OD1-NH2 3.09Å; D906-R968 PolarHBondContact OD1-NH2 3.17Å; D906-R968 IonicContact OD2-CZ 2.76Å; D906-R968 IonicContact OD2-NH2 2.71Å; D906-R968 PolarHBondContact OD2-NH2 2.91Å; D906-R968 VanDerWaalsContact OD2-NH2 3.08Å; H951-R968 HydrophobicContact CB-CG 3.83Å; H951-R968 VanDerWaalsContact CD2-CZ 3.48Å; H951-R968 PolarHBondContact CD2-NH2 3.32Å; H951-R968 VanDerWaalsContact CG-CZ 3.47Å; H951-R968 PolarHBondContact NE2-NH2 2.87Å; H951-R968 CarbonylContact O-C 3.59Å; H951-R968 WeakPolarHBondContact O-CA 3.47Å; Y952-R968 HydrophobicContact CE1-CB 4.05Å
969	S	95.7	Very high	96.6	Very high	22 Å²	22	50.7 Å²	50.7	15%	0.154	26%	0.258	C	S	.	.			trans	-85.3	145.3	174.6	-57.5	0	0	0	0	110.2	H951 Q967 D971	H951-S969 PolarHBondContact O-N 2.82Å; Q967-S969 PolarHBondContact O-N 3.45Å; S969-D971 WeakPolarHBondContact CB-OD1 3.19Å; S969-D971 PolarHBondContact O-N 3.32Å
970	D	95.4	Very high	96.6	Very high	167 Å²	167	48.2 Å²	48.2	89%	0.893	23%	0.234	S	C	*	.	S	Bend	trans	-67.4	-11.1	174.5	-69.7	-26.8	0	0	0	112.9	G873	G873-D970 WeakPolarHBondContact CA-O 3.44Å
971	D	97.3	Very high	96.5	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.064	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	176.1	-179.6	76.3	-14.9	0	0	0	111.6	T768 R769 I871 S969	T768-D971 VanDerWaalsContact CB-OD2 3.28Å; T768-D971 WeakPolarHBondContact CB-OD2 3.22Å; T768-D971 HydrophobicContact CG2-CB 3.81Å; T768-D971 WeakPolarHBondContact OG1-CB 3.19Å; T768-D971 PolarHBondContact OG1-OD2 2.89Å; R769-D971 VanDerWaalsContact CZ-CG 3.46Å; R769-D971 IonicContact CZ-OD1 2.67Å; R769-D971 IonicContact CZ-OD2 2.79Å; R769-D971 IonicContact NE-OD2 2.7Å; R769-D971 IonicContact NH1-OD1 2.61Å; R769-D971 PolarHBondContact NH1-OD1 2.84Å; R769-D971 IonicContact NH1-OD2 3.49Å; R769-D971 PolarHBondContact NH1-OD2 2.83Å; R769-D971 VanDerWaalsContact NH2-CG 3.33Å; R769-D971 IonicContact NH2-OD1 2.99Å; R769-D971 PolarHBondContact NH2-OD1 2.93Å; R769-D971 IonicContact NH2-OD2 3.91Å; R769-D971 PolarHBondContact NH2-OD2 3.37Å; I871-D971 WeakPolarHBondContact O-CB 3.18Å; S969-D971 WeakPolarHBondContact CB-OD1 3.19Å; S969-D971 PolarHBondContact O-N 3.32Å
972	I	98.5	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.2	177.5	-68.2	154.5	0	0	0	108.7	G870 I871 Y875 V905 L929 A949 W950 H951 L974	G870-I972 CarbonylContact C-O 3.59Å; G870-I972 WeakPolarHBondContact CA-O 3.47Å; I871-I972 HydrophobicContact CD1-CB 4.34Å; I871-I972 HydrophobicContact CD1-CG2 4.24Å; I871-I972 HydrophobicContact CG1-CB 3.72Å; I871-I972 HydrophobicContact CG1-CG2 4.03Å; I871-I972 PolarHBondContact N-O 3.23Å; I871-I972 PolarHBondContact O-N 3.05Å; Y875-I972 WeakPolarHBondContact O-CD1 3.41Å; V905-I972 HydrophobicContact CG1-CG1 4.36Å; V905-I972 HydrophobicContact CG1-CG2 4.44Å; V905-I972 HydrophobicContact CG2-CD1 3.82Å; V905-I972 HydrophobicContact CG2-CG1 4.18Å; V905-I972 HydrophobicContact CG2-CG2 4.3Å; L929-I972 HydrophobicContact CD2-CG2 4.32Å; A949-I972 HydrophobicContact CB-CG2 3.97Å; W950-I972 CarbonylContact O-C 3.35Å; W950-I972 WeakPolarHBondContact O-CA 3.43Å; H951-I972 VanDerWaalsContact CE1-CG1 3.4Å; H951-I972 WeakPolarHBondContact CE1-CG1 3.39Å; I972-L974 PolarHBondContact O-N 2.81Å
973	T	98.5	Very high	96.3	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	111.7	163.2	-59.3	0	0	0	0	108.3	R769 T868 A949 W950 Y952	R769-T973 PolarHBondContact NH2-OG1 2.91Å; T868-T973 HydrophobicContact CG2-CG2 3.64Å; A949-T973 CarbonylContact C-O 3.47Å; A949-T973 VanDerWaalsContact CA-O 3.31Å; A949-T973 WeakPolarHBondContact CA-O 3.39Å; W950-T973 HydrophobicContact CE3-CG2 4.1Å; W950-T973 PolarHBondContact N-O 2.89Å; W950-T973 PolarHBondContact O-N 2.81Å; Y952-T973 VanDerWaalsContact O-CB 3.25Å; Y952-T973 WeakPolarHBondContact O-CB 3.44Å; Y952-T973 PolarHBondContact O-OG1 3.47Å
974	L	98.4	Very high	95.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.2	175.4	173.4	61.6	0	0	0	109.4	T868 M869 I871 L929 L937 V939 F947 I972 L976	T868-L974 CarbonylContact C-O 3.56Å; T868-L974 VanDerWaalsContact CA-O 3.3Å; T868-L974 WeakPolarHBondContact CA-O 3.45Å; M869-L974 HydrophobicContact CG-CB 4.04Å; M869-L974 HydrophobicContact CG-CD2 4.1Å; M869-L974 HydrophobicContact CG-CG 4.31Å; M869-L974 PolarHBondContact N-O 2.88Å; M869-L974 PolarHBondContact O-N 2.88Å; M869-L974 HydrophobicContact SD-CD2 4.13Å; I871-L974 HydrophobicContact CD1-CB 4.45Å; I871-L974 HydrophobicContact CD1-CD2 4.34Å; I871-L974 HydrophobicContact CG2-CB 4.48Å; I871-L974 HydrophobicContact CG2-CD2 4.31Å; L929-L974 HydrophobicContact CD1-CD1 4Å; L929-L974 HydrophobicContact CD1-CD2 4.47Å; L929-L974 HydrophobicContact CD2-CD1 4.48Å; L937-L974 HydrophobicContact CD2-CD2 3.62Å; V939-L974 HydrophobicContact CG2-CD2 4.49Å; F947-L974 HydrophobicContact CD2-CD1 3.73Å; F947-L974 HydrophobicContact CE2-CD1 3.37Å; I972-L974 PolarHBondContact O-N 2.81Å; L974-L976 HydrophobicContact CD1-CD2 4.04Å; L974-L976 HydrophobicContact CD1-CG 4.48Å; L974-L976 HydrophobicContact CD2-CD1 4.43Å; L974-L976 HydrophobicContact CG-CD2 4.25Å; L974-L976 HydrophobicContact CG-CG 4.19Å
975	N	98.3	Very high	95.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.011	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.5	174.9	-51.2	-65.8	0	0	0	110.6	T868 F947 S948 W950	T868-N975 WeakPolarHBondContact CG2-OD1 3.35Å; T868-N975 PolarHBondContact OG1-OD1 3.49Å; F947-N975 WeakPolarHBondContact CA-O 3.33Å; S948-N975 PolarHBondContact N-O 3.38Å; S948-N975 PolarHBondContact O-N 3.48Å; S948-N975 WeakPolarHBondContact OG-CB 3.2Å; S948-N975 PolarHBondContact OG-ND2 3.18Å; W950-N975 VanDerWaalsContact CH2-ND2 3.26Å; W950-N975 WeakPolarHBondContact CH2-ND2 3.37Å; W950-N975 WeakPolarHBondContact CZ3-ND2 3.41Å
976	L	98.1	Very high	95.8	Very high	22 Å²	22	48.1 Å²	48.1	12%	0.115	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	87	-179.9	-59	174.4	0	0	0	108	F867 T927 V939 I945 F947 L974	F867-L976 HydrophobicContact CB-CB 4.46Å; F867-L976 HydrophobicContact CD1-CD1 4.27Å; F867-L976 PolarHBondContact N-O 2.62Å; F867-L976 VanDerWaalsContact N-O 3.07Å; F867-L976 PolarHBondContact O-N 3.06Å; T927-L976 HydrophobicContact CG2-CD2 4.4Å; V939-L976 HydrophobicContact CG1-CD1 3.84Å; V939-L976 HydrophobicContact CG1-CD2 4.07Å; V939-L976 HydrophobicContact CG2-CD1 4.17Å; V939-L976 HydrophobicContact CG2-CD2 4.44Å; I945-L976 HydrophobicContact CD1-CB 3.99Å; I945-L976 HydrophobicContact CD1-CD2 3.78Å; I945-L976 HydrophobicContact CD1-CG 4.44Å; F947-L976 HydrophobicContact CD2-CD2 4.23Å; L974-L976 HydrophobicContact CD1-CD2 4.04Å; L974-L976 HydrophobicContact CD1-CG 4.48Å; L974-L976 HydrophobicContact CD2-CD1 4.43Å; L974-L976 HydrophobicContact CG-CD2 4.25Å; L974-L976 HydrophobicContact CG-CG 4.19Å
977	D	97.7	Very high	95.8	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125	-165.7	-52.3	-40.2	0	0	0	112.6	G866 N946	G866-D977 WeakPolarHBondContact CA-OD1 3.24Å; N946-D977 HydrophobicContact CB-CB 4.17Å; N946-D977 PolarHBondContact N-O 3.05Å; N946-D977 PolarHBondContact ND2-O 2.92Å; N946-D977 PolarHBondContact O-N 3.11Å
978	H	96.1	Very high	95.8	Very high	101 Å²	101	44 Å²	44	47%	0.468	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-44	175.9	176.3	46.6	0	0	0	111.4	I865	I865-H978 HydrophobicContact CG2-CB 4.44Å; I865-H978 WeakPolarHBondContact O-CB 3.27Å; I865-H978 PolarHBondContact O-N 2.9Å
979	Q	95.1	Very high	95.8	Very high	108 Å²	108	38.9 Å²	38.9	51%	0.505	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.7	178.9	-70.9	-177.2	-12	0	0	109.9	C864 I865	C864-Q979 CarbonylContact C-O 3.05Å; C864-Q979 WeakPolarHBondContact CA-O 3.35Å; I865-Q979 HydrophobicContact CB-CB 4.4Å; I865-Q979 PolarHBondContact N-O 3.23Å; I865-Q979 PolarHBondContact O-N 2.96Å
980	L	95.2	Very high	95.8	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.105	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138	179.3	-167.6	68.4	0	0	0	107.7	K777 C864 Y889 N920	K777-L980 HydrophobicContact CD-CD1 3.58Å; K777-L980 HydrophobicContact CD-CG 4.49Å; C864-L980 HydrophobicContact CB-CD1 3.78Å; Y889-L980 HydrophobicContact CD1-CD2 3.74Å; Y889-L980 HydrophobicContact CD1-CG 4.44Å; Y889-L980 HydrophobicContact CE1-CD2 3.59Å; Y889-L980 HydrophobicContact CE1-CG 4.47Å; N920-L980 HydrophobicContact CB-CD2 4.05Å; N920-L980 WeakPolarHBondContact ND2-CD2 3.37Å
981	L	94.7	Very high	95.8	Very high	39 Å²	39	31 Å²	31	20%	0.204	20%	0.196	C	C	.	.			trans	-63	149.9	174.7	-168.8	57.3	0	0	0	110.9	W791 I861 P863	W791-L981 HydrophobicContact CH2-CD2 4.02Å; W791-L981 HydrophobicContact CZ2-CD2 3.89Å; I861-L981 HydrophobicContact CD1-CD1 3.33Å; I861-L981 HydrophobicContact CD1-CD2 4.04Å; I861-L981 HydrophobicContact CD1-CG 4.35Å; I861-L981 HydrophobicContact CG1-CD1 4.18Å; P863-L981 PolarHBondContact O-N 2.86Å
982	G	94.8	Very high	95.7	Very high	11 Å²	11	32.5 Å²	32.5	11%	0.113	21%	0.207	C	C	.	.			trans	-67	-179.1	168.1	0	0	0	0	0	112.4	H783 D891	H783-G982 PolarHBondContact CE1-O 3.43Å; H783-G982 PolarHBondContact NE2-O 3.08Å; D891-G982 WeakPolarHBondContact OD1-CA 3.4Å
983	L	95	Very high	95.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	22%	0.224	C	C	.	.			trans	-83.3	-36	179.9	-58.9	-176.3	0	0	0	112.9	N531 I780 H783 Y889 D891	N531-L983 HydrophobicContact CB-CD2 4.41Å; N531-L983 WeakPolarHBondContact OD1-CD1 3.39Å; N531-L983 WeakPolarHBondContact OD1-CD2 3.35Å; I780-L983 HydrophobicContact CD1-CD2 3.65Å; I780-L983 HydrophobicContact CG2-CD2 4.47Å; H783-L983 PolarHBondContact NE2-O 2.86Å; Y889-L983 HydrophobicContact CD1-CD2 3.86Å; Y889-L983 HydrophobicContact CD2-CD1 4.03Å; Y889-L983 HydrophobicContact CD2-CD2 3.48Å; Y889-L983 VanDerWaalsContact CD2-CD2 3.48Å; Y889-L983 HydrophobicContact CD2-CG 3.87Å; Y889-L983 HydrophobicContact CE1-CD2 4.08Å; Y889-L983 HydrophobicContact CE2-CD2 3.72Å; Y889-L983 HydrophobicContact CG-CD2 3.55Å; Y889-L983 HydrophobicContact CG-CG 3.89Å; D891-L983 VanDerWaalsContact CG-N 3.26Å; D891-L983 PolarHBondContact OD1-N 2.95Å; D891-L983 PolarHBondContact OD2-N 3.17Å
984	G	83.8	Confident	95.2	Very high	106 Å²	106	38 Å²	38	100%	1.093	24%	0.242	S	C	*	.			trans	-115.1	0	-176.6	0	0	0	0	0	115.8	D891	D891-G984 PolarHBondContact OD2-N 2.89Å

Retrieved 984 of 984 residues in 1261.5 ms (Link to these results)

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