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D-aspartate oxidase

Selectively catalyzes the oxidative deamination of acidic amino acids. Suppresses the level of D-aspartate in the brain, an amino acid that can act as an agonist for glutamate receptors. Protects the organism from the toxicity of D-amino acids. May also function in the intestine.

AlphaFold DB , UniProt , Accession A0A096MS66, Species PAPAN (Papio anubis, Olive baboon), Gene DDO, Length 381 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.6	Very low	30.2	Very low	253 Å²	253	145.9 Å²	145.9	100%	1.246	84%	0.843	S	S	*	*				0	101.6	0	-60.3	177	-170	0	0	106.6
2	G	31	Very low	29.9	Very low	77 Å²	77	140.3 Å²	140.3	79%	0.794	84%	0.841	S	S	*	*			cis	108	74.4	14	0	0	0	0	0	112.1
3	S	30.5	Very low	30	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	85%	0.846	S	S	*	*			trans	168.4	114.5	155.5	47.4	0	0	0	0	107.7
4	S	28.7	Very low	30.1	Very low	98 Å²	98	148.1 Å²	148.1	69%	0.685	85%	0.851	S	S	*	*			cis	77.4	100.2	39.2	-133.5	0	0	0	0	114.7
5	F	28.8	Very low	30.1	Very low	195 Å²	195	145.9 Å²	145.9	86%	0.855	84%	0.843	S	S	*	*				144.3	132.2	116.9	-92.9	-75.7	0	0	0	117.3
6	A	28.3	Very low	30.2	Very low	91 Å²	91	142.8 Å²	142.8	75%	0.752	84%	0.841	S	S	*	*			trans	80.7	127.2	135.6	0	0	0	0	0	122.6
7	F	26.7	Very low	30.3	Very low	191 Å²	191	148.5 Å²	148.5	84%	0.838	84%	0.844	S	S	*	*			trans	-62.5	165.8	164.2	-83.9	-94.4	0	0	0	113.4
8	P	30.5	Very low	30.2	Very low	124 Å²	124	150.6 Å²	150.6	81%	0.805	85%	0.845	S	S	*	*				-135.4	151.8	106.3	31.5	-16.5	0	0	0	115.2
9	L	28.8	Very low	30	Very low	166 Å²	166	148.3 Å²	148.3	87%	0.869	84%	0.839	S	S	*	*			trans	-66.4	143	169.2	-81.7	141.9	0	0	0	112.1
10	S	27.6	Very low	30.2	Very low	107 Å²	107	151 Å²	151	75%	0.748	84%	0.841	S	S	*	*			trans	-165	103.8	150.3	-179.4	0	0	0	0	113.4
11	Q	28.3	Very low	30.3	Very low	187 Å²	187	148.2 Å²	148.2	87%	0.874	83%	0.828	S	S	*	*			trans	67.2	102.4	134.8	-56.5	-157.8	8.6	0	0	122.4
12	G	27.4	Very low	29.9	Very low	79 Å²	79	141.9 Å²	141.9	81%	0.814	81%	0.809	S	S	*	*				85.4	65.8	106	0	0	0	0	0	119.4
13	T	30.9	Very low	30.2	Very low	147 Å²	147	145.6 Å²	145.6	90%	0.902	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-81.7	116.1	157.7	37.5	0	0	0	0	110.2
14	R	31.4	Very low	30.1	Very low	243 Å²	243	143 Å²	143	92%	0.917	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-71.5	139.8	173	-74.6	-177.6	179.5	-170.4	0.5	110.2
15	P	30.5	Very low	30.3	Very low	114 Å²	114	143 Å²	143	74%	0.74	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-77.9	146.6	-179.9	31.2	-32.6	0	0	0	111.8	R17	P15-R17 PolarHBondContact O-N 2.85Å
16	A	31.7	Very low	30.5	Very low	97 Å²	97	144.9 Å²	144.9	80%	0.802	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-57.9	122.3	168.8	0	0	0	0	0	110.2	H18	A16-H18 PolarHBondContact O-N 3.17Å
17	R	30.9	Very low	30.7	Very low	239 Å²	239	146.1 Å²	146.1	90%	0.902	80%	0.797	S	S	*	*			trans	-83.3	100.3	173.5	-68.8	-171.5	-169.1	-159.7	3	109.4	P15	P15-R17 PolarHBondContact O-N 2.85Å
18	H	28.9	Very low	31.6	Very low	186 Å²	186	144 Å²	144	86%	0.861	79%	0.787	S	S	*	*			trans	-78.6	111.5	152.2	-89.4	21.1	0	0	0	108	A16	A16-H18 PolarHBondContact O-N 3.17Å
19	C	26.4	Very low	31.6	Very low	107 Å²	107	140.9 Å²	140.9	72%	0.723	78%	0.778	S	S	*	*			trans	-107.1	102.1	167.8	-144.3	0	0	0	0	108
20	K	33.3	Very low	31.6	Very low	203 Å²	203	135.6 Å²	135.6	88%	0.883	76%	0.764	S	S	*	*			trans	-84.4	113.7	158.6	-80.9	-176	177	-179.9	0	106.3
21	T	32.6	Very low	32.4	Very low	93 Å²	93	137 Å²	137	57%	0.571	76%	0.756	S	S	*	*			trans	-138.6	105.3	171	42.7	0	0	0	0	110.4	F23	T21-F23 HydrophobicContact CG2-CD2 4.21Å; T21-F23 HydrophobicContact CG2-CE2 3.62Å
22	S	35.8	Very low	32.9	Very low	120 Å²	120	133.7 Å²	133.7	84%	0.839	74%	0.741	S	S	*	*			trans	-73.4	119.5	157.8	50.2	0	0	0	0	108.4
23	F	36.1	Very low	33.3	Very low	154 Å²	154	135.2 Å²	135.2	68%	0.675	73%	0.731	S	S	*	*			trans	-133.7	133.6	170.5	-84.1	-77	0	0	0	112	T21	T21-F23 HydrophobicContact CG2-CD2 4.21Å; T21-F23 HydrophobicContact CG2-CE2 3.62Å
24	G	29.3	Very low	33.6	Very low	63 Å²	63	133.8 Å²	133.8	65%	0.649	73%	0.726	S	S	*	*			trans	-79.7	170.7	174	0	0	0	0	0	113	R26	G24-R26 VanDerWaalsContact C-N 3.29Å; G24-R26 PolarHBondContact O-N 2.7Å
25	A	33.2	Very low	34.4	Very low	98 Å²	98	126.2 Å²	126.2	81%	0.81	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	36.7	-159.3	0	0	0	0	0	117.9
26	R	31.3	Very low	35.2	Very low	233 Å²	233	125.6 Å²	125.6	88%	0.879	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.3	7	-178.2	-73	-168.4	-172.3	177.5	3.6	118.5	G24	G24-R26 VanDerWaalsContact C-N 3.29Å; G24-R26 PolarHBondContact O-N 2.7Å
27	D	34	Very low	35.7	Very low	118 Å²	118	130.9 Å²	130.9	63%	0.631	68%	0.684	S	S	*	*			trans	-109.7	71	178.4	-69.7	-33	0	0	0	112.5
28	F	44.5	Very low	36.1	Very low	145 Å²	145	127.2 Å²	127.2	64%	0.636	68%	0.683	S	S	*	*			trans	-88.8	-15.2	179.9	-98.6	-91.4	0	0	0	114.7
29	G	31.2	Very low	37.1	Very low	59 Å²	59	123.5 Å²	123.5	61%	0.608	66%	0.661	S	S	*	*	S	Bend	trans	-80.4	-33.3	-175.8	0	0	0	0	0	115
30	G	29.4	Very low	38.2	Very low	56 Å²	56	122.9 Å²	122.9	58%	0.577	66%	0.655	S	S	*	*	H	α-helix	trans	-86.7	-18.7	-172.8	0	0	0	0	0	115.4
31	F	42.5	Very low	39.4	Very low	135 Å²	135	122.5 Å²	122.5	59%	0.592	66%	0.659	S	S	*	*	H	α-helix	trans	-83.1	-26.1	-174.4	-151.1	-93.1	0	0	0	113	F35	F31-F35 HydrophobicContact CD1-CD2 4.26Å; F31-F35 AromaticContact CE1-CD2 3.9Å; F31-F35 HydrophobicContact CE1-CD2 3.9Å; F31-F35 AromaticContact CE1-CE2 3.91Å; F31-F35 HydrophobicContact CE1-CE2 3.91Å; F31-F35 HydrophobicContact CE2-CE2 4.08Å; F31-F35 HydrophobicContact CZ-CD2 4.05Å; F31-F35 AromaticContact CZ-CE2 3.6Å; F31-F35 HydrophobicContact CZ-CE2 3.6Å; F31-F35 HydrophobicContact CZ-CZ 4.3Å
32	Q	39.8	Very low	41.4	Very low	118 Å²	118	123.5 Å²	123.5	55%	0.551	66%	0.661	S	S	*	*	H	α-helix	trans	-75.1	-33.8	178.5	-79	179.7	-24	0	0	113	F36	Q32-F36 VanDerWaalsContact O-CD2 3.28Å; Q32-F36 WeakPolarHBondContact O-CD2 3.28Å
33	D	36.6	Very low	44	Very low	112 Å²	112	119.7 Å²	119.7	60%	0.599	63%	0.633	S	S	*	*	H	α-helix	trans	-83.9	-26.4	-171.2	-84.1	-17.2	0	0	0	114.6
34	C	37	Very low	46.8	Very low	117 Å²	117	112.8 Å²	112.8	79%	0.791	60%	0.604	S	S	*	*	H	α-helix	trans	-90.5	-20.8	-178.2	-73.9	0	0	0	0	114.6
35	F	47.2	Very low	50	Low	84 Å²	84	113.6 Å²	113.6	37%	0.368	59%	0.588	S	S	.	*	H	α-helix	trans	-91.2	-17.9	-175.8	-101.2	-85.6	0	0	0	114.8	F31 W200	F31-F35 HydrophobicContact CD1-CD2 4.26Å; F31-F35 AromaticContact CE1-CD2 3.9Å; F31-F35 HydrophobicContact CE1-CD2 3.9Å; F31-F35 AromaticContact CE1-CE2 3.91Å; F31-F35 HydrophobicContact CE1-CE2 3.91Å; F31-F35 HydrophobicContact CE2-CE2 4.08Å; F31-F35 HydrophobicContact CZ-CD2 4.05Å; F31-F35 AromaticContact CZ-CE2 3.6Å; F31-F35 HydrophobicContact CZ-CE2 3.6Å; F31-F35 HydrophobicContact CZ-CZ 4.3Å; F35-W200 HydrophobicContact CE1-CE3 4.27Å; F35-W200 AromaticContact CE1-CH2 3.85Å; F35-W200 HydrophobicContact CE1-CH2 3.85Å; F35-W200 HydrophobicContact CE1-CZ2 4.28Å; F35-W200 AromaticContact CE1-CZ3 3.85Å; F35-W200 HydrophobicContact CE1-CZ3 3.85Å; F35-W200 HydrophobicContact CZ-CZ3 4.28Å
36	F	48.3	Very low	53.2	Low	101 Å²	101	109 Å²	109	44%	0.443	55%	0.549	S	S	.	.	S	Bend	trans	-115.9	-0	-165.5	-71.4	-82.3	0	0	0	115.1	Q32	Q32-F36 VanDerWaalsContact O-CD2 3.28Å; Q32-F36 WeakPolarHBondContact O-CD2 3.28Å
37	R	40.7	Very low	56.4	Low	208 Å²	208	97.9 Å²	97.9	79%	0.785	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-21	-168.5	-111.6	176.8	172.8	-174.8	-1.3	116.7
38	D	39.3	Very low	59.5	Low	161 Å²	161	92.2 Å²	92.2	86%	0.861	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	32.1	-169.2	-70.9	-30.3	0	0	0	115.8
39	R	50.3	Low	62	Low	109 Å²	109	85.7 Å²	85.7	41%	0.411	45%	0.449	S	S	.	.	S	Bend	trans	-103.6	138.6	174.4	-63.7	-163.3	-148.4	-165.7	7.9	112.4	M41 S70	R39-M41 PolarHBondContact O-N 3.07Å; R39-S70 PolarHBondContact NH1-OG 2.87Å
40	P	50.5	Low	65.3	Low	93 Å²	93	83.2 Å²	83.2	60%	0.604	42%	0.424	S	S	*	.			trans	-57.8	133.4	179.1	-17.7	27.9	0	0	0	111.1	D42 T43	P40-D42 PolarHBondContact O-N 3.44Å; P40-T43 PolarHBondContact O-N 2.71Å
41	M	57.2	Low	68.6	Low	195 Å²	195	80.6 Å²	80.6	96%	0.961	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-11.8	-179	-74.4	-157.4	-68.7	0	0	114.6	R39	R39-M41 PolarHBondContact O-N 3.07Å
42	D	74.8	Confident	71.2	Confident	115 Å²	115	75 Å²	75	62%	0.615	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.9	-179.2	-68.3	-25.5	0	0	0	114.8	P40 R373	P40-D42 PolarHBondContact O-N 3.44Å; D42-R373 PolarHBondContact O-NH2 3.32Å
43	T	90.5	Very high	74.1	Confident	40 Å²	40	69.6 Å²	69.6	25%	0.245	35%	0.352	C	S	.	.			trans	-89.9	119.8	-177.4	-57.4	0	0	0	0	112.2	P40 R45 Q68	P40-T43 PolarHBondContact O-N 2.71Å; T43-R45 PolarHBondContact O-N 2.7Å; T43-Q68 WeakPolarHBondContact CA-O 3.44Å
44	A	95.2	Very high	77	Confident	9 Å²	9	65 Å²	65	7%	0.074	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.8	175.6	0	0	0	0	0	111.5	Q68 C69 S70 V369	A44-Q68 PolarHBondContact N-O 2.8Å; A44-C69 CarbonylContact O-C 3.42Å; A44-C69 VanDerWaalsContact O-CA 3.31Å; A44-C69 WeakPolarHBondContact O-CA 3.44Å; A44-S70 PolarHBondContact O-N 2.81Å; A44-V369 HydrophobicContact CB-CG1 4.12Å; A44-V369 HydrophobicContact CB-CG2 3.81Å
45	R	97.3	Very high	80	Confident	80 Å²	80	59.5 Å²	59.5	30%	0.302	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	113	-179.6	-57	169.8	-63.7	161.3	9.4	109.7	T43 P214 S215 F216 D217 I218	T43-R45 PolarHBondContact O-N 2.7Å; R45-P214 PolarHBondContact NH1-O 2.93Å; R45-P214 PolarHBondContact NH2-O 3.42Å; R45-S215 WeakPolarHBondContact CD-O 3.41Å; R45-S215 PolarHBondContact NE-O 2.89Å; R45-S215 PolarHBondContact NH1-O 2.97Å; R45-F216 HydrophobicContact CB-CD1 4.14Å; R45-D217 WeakPolarHBondContact CB-OD2 3.4Å; R45-D217 IonicContact CZ-OD1 3.68Å; R45-D217 PolarHBondContact N-OD2 2.92Å; R45-D217 IonicContact NE-OD1 2.7Å; R45-D217 PolarHBondContact NE-OD1 2.93Å; R45-D217 IonicContact NE-OD2 2.8Å; R45-D217 PolarHBondContact NE-OD2 3.15Å; R45-D217 IonicContact NH2-OD1 2.71Å; R45-D217 PolarHBondContact NH2-OD1 3.04Å; R45-D217 IonicContact NH2-OD2 2.97Å; R45-D217 PolarHBondContact O-N 3.47Å; R45-I218 PolarHBondContact O-N 2.77Å
46	I	98.6	Very high	82.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.9	-173.7	-56	168.6	0	0	0	109.2	I62 V66 C69 S70 V71 T72 I218 V220 V365	I46-I62 HydrophobicContact CD1-CG2 3.54Å; I46-I62 HydrophobicContact CG2-CD1 4.41Å; I46-V66 HydrophobicContact CD1-CG1 4.33Å; I46-C69 HydrophobicContact CD1-CB 3.61Å; I46-C69 HydrophobicContact CG1-CB 4.49Å; I46-S70 PolarHBondContact N-O 3.13Å; I46-V71 WeakPolarHBondContact O-CA 3.41Å; I46-T72 PolarHBondContact O-N 3.43Å; I46-I218 WeakPolarHBondContact CA-O 3.29Å; I46-I218 HydrophobicContact CG1-CB 4.48Å; I46-V220 HydrophobicContact CG2-CG2 3.84Å; I46-V365 HydrophobicContact CD1-CG1 3.64Å; I46-V365 HydrophobicContact CG1-CG1 4.43Å
47	A	98.8	Very high	84.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.1	170.3	0	0	0	0	0	110.2	T72 I74 L212 F216 I218 V219 V220	A47-T72 CarbonylContact C-O 3.21Å; A47-T72 WeakPolarHBondContact CA-O 3.48Å; A47-I74 HydrophobicContact CB-CD1 4.18Å; A47-L212 HydrophobicContact CB-CD1 3.91Å; A47-F216 HydrophobicContact CB-CB 4.09Å; A47-F216 HydrophobicContact CB-CD1 3.62Å; A47-F216 HydrophobicContact CB-CD2 3.83Å; A47-F216 HydrophobicContact CB-CE1 3.92Å; A47-F216 HydrophobicContact CB-CE2 4.12Å; A47-F216 HydrophobicContact CB-CG 3.56Å; A47-F216 HydrophobicContact CB-CZ 4.16Å; A47-I218 PolarHBondContact N-O 3.16Å; A47-V219 HydrophobicContact CB-CG2 4.5Å; A47-V219 CarbonylContact O-C 3.56Å; A47-V219 WeakPolarHBondContact O-CA 3.28Å; A47-V220 PolarHBondContact O-N 3.15Å
48	V	98.9	Very high	87.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.4	170.3	-178.1	0	0	0	0	108.2	A59 I62 V71 T72 I73 I74 V220 C222	V48-A59 HydrophobicContact CG2-CB 4.14Å; V48-I62 HydrophobicContact CG2-CD1 4.23Å; V48-V71 HydrophobicContact CG2-CG1 3.88Å; V48-T72 PolarHBondContact N-O 2.97Å; V48-I73 CarbonylContact O-C 3.47Å; V48-I73 WeakPolarHBondContact O-CA 3.3Å; V48-I74 PolarHBondContact O-N 2.92Å; V48-V220 WeakPolarHBondContact CA-O 3.3Å; V48-V220 HydrophobicContact CG2-CB 4.13Å; V48-V220 HydrophobicContact CG2-CG2 4.33Å; V48-C222 HydrophobicContact CG1-CB 4.37Å
49	V	98.9	Very high	90.5	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.048	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.7	-179.3	-175.1	0	0	0	0	109.5	I74 I206 L209 L212 V219 V220 C222 S223 L230	V49-I74 CarbonylContact C-O 3.59Å; V49-I74 VanDerWaalsContact CA-O 3.3Å; V49-I74 WeakPolarHBondContact CA-O 3.34Å; V49-I206 HydrophobicContact CG1-CG1 4.49Å; V49-L209 HydrophobicContact CG2-CD2 4.33Å; V49-L212 HydrophobicContact CG2-CD1 3.68Å; V49-V219 HydrophobicContact CG2-CG1 3.99Å; V49-V220 PolarHBondContact N-O 3.23Å; V49-C222 CarbonylContact O-C 3.57Å; V49-C222 WeakPolarHBondContact O-CA 3.49Å; V49-C222 WeakPolarHBondContact O-CB 3.49Å; V49-C222 PolarHBondContact O-N 3.11Å; V49-S223 PolarHBondContact O-N 2.85Å; V49-S223 VanDerWaalsContact O-N 3.08Å; V49-L230 HydrophobicContact CG1-CD1 4.14Å
50	G	98.8	Very high	92.8	Very high	7 Å²	7	28.1 Å²	28.1	7%	0.072	16%	0.156	C	C	.	.			trans	111.1	132.4	-179.6	0	0	0	0	0	113.2	G55 I74	G50-G55 WeakPolarHBondContact O-CA 3.27Å; G50-I74 PolarHBondContact N-O 2.66Å
51	A	98.7	Very high	95.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	13%	0.128	C	C	.	.			trans	-113.1	21.5	-177.8	0	0	0	0	0	114.3	L56 I73 S75 F78	A51-L56 HydrophobicContact CB-CD2 4.27Å; A51-I73 HydrophobicContact CB-CG2 4.13Å; A51-S75 PolarHBondContact N-OG 2.85Å; A51-F78 HydrophobicContact CB-CD1 3.26Å; A51-F78 HydrophobicContact CB-CE1 3.3Å; A51-F78 HydrophobicContact CB-CG 3.93Å; A51-F78 HydrophobicContact CB-CZ 4Å
52	G	98.8	Very high	97	Very high	18 Å²	18	14.6 Å²	14.6	19%	0.186	8%	0.082	C	C	.	.	S	Bend	trans	-72.9	179.3	166.6	0	0	0	0	0	111.9	V54 G55 L56	G52-V54 PolarHBondContact O-N 2.78Å; G52-V54 VanDerWaalsContact O-N 3.1Å; G52-G55 PolarHBondContact O-N 2.91Å; G52-L56 PolarHBondContact O-N 3.2Å
53	V	98.9	Very high	98.1	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.024	7%	0.065	C	C	.	.	H	α-helix	trans	-51.8	-41	-176.2	70.7	0	0	0	0	113.2	S57 S84 Y186 L187 I351 H354	V53-S57 WeakPolarHBondContact O-CB 3.38Å; V53-S57 PolarHBondContact O-N 3.28Å; V53-S57 PolarHBondContact O-OG 3.17Å; V53-S84 WeakPolarHBondContact CG1-OG 3.42Å; V53-S84 PolarHBondContact N-OG 2.92Å; V53-Y186 HydrophobicContact CG2-CD1 4.06Å; V53-Y186 HydrophobicContact CG2-CE1 3.97Å; V53-L187 VanDerWaalsContact CA-CD2 3.44Å; V53-L187 HydrophobicContact CB-CD2 3.81Å; V53-L187 HydrophobicContact CG2-CD2 4.18Å; V53-I351 HydrophobicContact CG1-CG1 4.31Å; V53-H354 HydrophobicContact CG1-CB 4.28Å; V53-H354 HydrophobicContact CG2-CB 4.18Å
54	V	98.9	Very high	98.4	Very high	16 Å²	16	14.9 Å²	14.9	10%	0.097	8%	0.079	C	C	.	.	H	α-helix	trans	-67.3	-47.9	179.8	177.7	0	0	0	0	111.2	G52 S57 T58 C222 H343 H354	G52-V54 PolarHBondContact O-N 2.78Å; G52-V54 VanDerWaalsContact O-N 3.1Å; V54-S57 WeakPolarHBondContact CA-OG 3.3Å; V54-S57 PolarHBondContact O-N 3.09Å; V54-S57 PolarHBondContact O-OG 3.01Å; V54-T58 VanDerWaalsContact O-CB 3.29Å; V54-T58 WeakPolarHBondContact O-CB 3.47Å; V54-T58 PolarHBondContact O-N 2.96Å; V54-T58 PolarHBondContact O-OG1 3.41Å; V54-C222 HydrophobicContact CG1-CB 4.47Å; V54-H343 WeakPolarHBondContact CG1-CE1 3.5Å; V54-H343 WeakPolarHBondContact CG1-NE2 3.44Å; V54-H354 HydrophobicContact CG2-CB 4.46Å
55	G	98.9	Very high	98.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.3	-46.1	-179.1	0	0	0	0	0	112.3	G50 G52 T58 A59 C222	G50-G55 WeakPolarHBondContact O-CA 3.27Å; G52-G55 PolarHBondContact O-N 2.91Å; G55-T58 PolarHBondContact O-N 3.34Å; G55-A59 WeakPolarHBondContact O-CB 3.43Å; G55-A59 PolarHBondContact O-N 3.29Å; G55-C222 VanDerWaalsContact CA-CB 3.48Å
56	L	98.9	Very high	98.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.2	-43.1	178.2	-61.6	-174.5	0	0	0	112	A51 G52 T58 A59 V60 I73 L187 L190 E191 I194	A51-L56 HydrophobicContact CB-CD2 4.27Å; G52-L56 PolarHBondContact O-N 3.2Å; L56-T58 VanDerWaalsContact C-N 3.34Å; L56-T58 PolarHBondContact O-N 2.82Å; L56-A59 PolarHBondContact O-N 3.33Å; L56-V60 WeakPolarHBondContact O-CG2 3.41Å; L56-V60 PolarHBondContact O-N 2.93Å; L56-I73 HydrophobicContact CD2-CD1 3.39Å; L56-I73 HydrophobicContact CD2-CG2 4.46Å; L56-L187 HydrophobicContact CD1-CB 3.79Å; L56-L187 HydrophobicContact CD1-CD2 3.94Å; L56-L187 HydrophobicContact CD1-CG 4.34Å; L56-L190 HydrophobicContact CB-CB 3.91Å; L56-L190 HydrophobicContact CB-CD1 3.74Å; L56-L190 HydrophobicContact CB-CG 4.49Å; L56-L190 HydrophobicContact CD1-CB 4.2Å; L56-E191 HydrophobicContact CD1-CG 3.86Å; L56-E191 HydrophobicContact CD2-CG 4.21Å; L56-I194 HydrophobicContact CB-CD1 4.31Å; L56-I194 HydrophobicContact CD2-CD1 4.04Å
57	S	98.9	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-41.1	176.4	56.6	0	0	0	0	112.6	V53 V54 A59 V60 C61	V53-S57 WeakPolarHBondContact O-CB 3.38Å; V53-S57 PolarHBondContact O-N 3.28Å; V53-S57 PolarHBondContact O-OG 3.17Å; V54-S57 WeakPolarHBondContact CA-OG 3.3Å; V54-S57 PolarHBondContact O-N 3.09Å; V54-S57 PolarHBondContact O-OG 3.01Å; S57-A59 PolarHBondContact O-N 3.41Å; S57-V60 PolarHBondContact O-N 2.94Å; S57-C61 PolarHBondContact O-N 3.37Å; S57-C61 PolarHBondContact O-SG 3.4Å; S57-C61 VanDerWaalsContact O-SG 3.39Å
58	T	98.9	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-42.6	177.9	-62.6	0	0	0	0	111.2	V54 G55 L56 V60 C61 I62 V220 H343 A358 A361	V54-T58 VanDerWaalsContact O-CB 3.29Å; V54-T58 WeakPolarHBondContact O-CB 3.47Å; V54-T58 PolarHBondContact O-N 2.96Å; V54-T58 PolarHBondContact O-OG1 3.41Å; G55-T58 PolarHBondContact O-N 3.34Å; L56-T58 VanDerWaalsContact C-N 3.34Å; L56-T58 PolarHBondContact O-N 2.82Å; T58-V60 PolarHBondContact O-N 3.07Å; T58-C61 PolarHBondContact O-N 3.09Å; T58-I62 HydrophobicContact CG2-CD1 3.68Å; T58-I62 HydrophobicContact CG2-CG1 4.32Å; T58-I62 WeakPolarHBondContact O-CB 3.48Å; T58-I62 WeakPolarHBondContact O-CD1 3.34Å; T58-I62 WeakPolarHBondContact O-CG1 3.33Å; T58-I62 PolarHBondContact O-N 2.98Å; T58-V220 HydrophobicContact CG2-CG1 3.82Å; T58-H343 PolarHBondContact OG1-CE1 3.22Å; T58-H343 PolarHBondContact OG1-ND1 2.75Å; T58-A358 WeakPolarHBondContact OG1-CB 3.42Å; T58-A361 HydrophobicContact CG2-CB 3.72Å
59	A	98.9	Very high	97.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.7	-42.6	173.5	0	0	0	0	0	112.5	V48 G55 L56 S57 S63 V71 I73 I194	V48-A59 HydrophobicContact CG2-CB 4.14Å; G55-A59 WeakPolarHBondContact O-CB 3.43Å; G55-A59 PolarHBondContact O-N 3.29Å; L56-A59 PolarHBondContact O-N 3.33Å; S57-A59 PolarHBondContact O-N 3.41Å; A59-S63 WeakPolarHBondContact O-CB 3.39Å; A59-S63 PolarHBondContact O-N 3.21Å; A59-V71 HydrophobicContact CB-CG1 3.87Å; A59-I73 HydrophobicContact CB-CD1 4.12Å; A59-I73 HydrophobicContact CB-CG1 4.01Å; A59-I194 HydrophobicContact CB-CD1 3.74Å; A59-I194 HydrophobicContact CB-CG1 4.35Å
60	V	98.7	Very high	97.4	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.03	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-46.1	174.9	175.5	0	0	0	0	111.5	L56 S57 T58 S63 K64 L190 R193 I194 W355	L56-V60 WeakPolarHBondContact O-CG2 3.41Å; L56-V60 PolarHBondContact O-N 2.93Å; S57-V60 PolarHBondContact O-N 2.94Å; T58-V60 PolarHBondContact O-N 3.07Å; V60-S63 PolarHBondContact O-N 3.29Å; V60-K64 HydrophobicContact CG1-CD 4.24Å; V60-K64 WeakPolarHBondContact O-CG 3.27Å; V60-K64 PolarHBondContact O-N 2.99Å; V60-L190 HydrophobicContact CG2-CD2 4.06Å; V60-R193 HydrophobicContact CG2-CB 4.45Å; V60-I194 HydrophobicContact CG2-CD1 3.9Å; V60-I194 HydrophobicContact CG2-CG1 3.43Å; V60-I194 VanDerWaalsContact CG2-CG1 3.43Å; V60-W355 HydrophobicContact CB-CH2 4Å; V60-W355 HydrophobicContact CG1-CH2 3.66Å; V60-W355 HydrophobicContact CG1-CZ2 4.32Å
61	C	98.8	Very high	97.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.02	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-45.3	178.6	-72.3	0	0	0	0	111.5	S57 T58 S63 K64 L65 A358 A362	S57-C61 PolarHBondContact O-N 3.37Å; S57-C61 PolarHBondContact O-SG 3.4Å; S57-C61 VanDerWaalsContact O-SG 3.39Å; T58-C61 PolarHBondContact O-N 3.09Å; C61-S63 PolarHBondContact O-N 2.98Å; C61-K64 PolarHBondContact O-N 2.89Å; C61-L65 WeakPolarHBondContact O-CB 3.34Å; C61-L65 WeakPolarHBondContact O-CG 3.34Å; C61-L65 PolarHBondContact O-N 3.04Å; C61-A358 HydrophobicContact CB-CB 4.28Å; C61-A362 HydrophobicContact CB-CB 3.85Å
62	I	98.6	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59	-49.8	176.1	-70.7	164.8	0	0	0	110.5	I46 V48 T58 K64 L65 V66 V71 V220 A362 V365	I46-I62 HydrophobicContact CD1-CG2 3.54Å; I46-I62 HydrophobicContact CG2-CD1 4.41Å; V48-I62 HydrophobicContact CG2-CD1 4.23Å; T58-I62 HydrophobicContact CG2-CD1 3.68Å; T58-I62 HydrophobicContact CG2-CG1 4.32Å; T58-I62 WeakPolarHBondContact O-CB 3.48Å; T58-I62 WeakPolarHBondContact O-CD1 3.34Å; T58-I62 WeakPolarHBondContact O-CG1 3.33Å; T58-I62 PolarHBondContact O-N 2.98Å; I62-K64 PolarHBondContact O-N 3.23Å; I62-K64 VanDerWaalsContact O-N 3.1Å; I62-L65 PolarHBondContact O-N 2.87Å; I62-V66 HydrophobicContact CB-CG2 4.39Å; I62-V66 HydrophobicContact CG2-CB 4.17Å; I62-V66 HydrophobicContact CG2-CG2 3.93Å; I62-V66 WeakPolarHBondContact O-CB 3.4Å; I62-V66 PolarHBondContact O-N 3.42Å; I62-V71 HydrophobicContact CB-CG2 4.33Å; I62-V71 HydrophobicContact CG2-CG2 3.62Å; I62-V220 HydrophobicContact CD1-CG2 3.85Å; I62-A362 HydrophobicContact CG1-CB 3.97Å; I62-V365 HydrophobicContact CD1-CB 4.45Å; I62-V365 HydrophobicContact CD1-CG1 4.38Å; I62-V365 HydrophobicContact CD1-CG2 3.93Å; I62-V365 HydrophobicContact CG1-CB 4.34Å; I62-V365 HydrophobicContact CG1-CG1 4.32Å; I62-V365 HydrophobicContact CG1-CG2 4.3Å; I62-V365 HydrophobicContact CG2-CG1 4.28Å
63	S	97.4	Very high	97.3	Very high	36 Å²	36	26.5 Å²	26.5	25%	0.252	14%	0.144	S	C	.	.	H	α-helix	trans	-60.4	-24.2	-178.3	-174.3	0	0	0	0	113.5	A59 V60 C61 S197	A59-S63 WeakPolarHBondContact O-CB 3.39Å; A59-S63 PolarHBondContact O-N 3.21Å; V60-S63 PolarHBondContact O-N 3.29Å; C61-S63 PolarHBondContact O-N 2.98Å; S63-S197 WeakPolarHBondContact OG-CB 3.18Å
64	K	96	Very high	97.3	Very high	126 Å²	126	26.4 Å²	26.4	55%	0.548	14%	0.143	S	C	.	.	H	α-helix	trans	-92.1	-35	178.4	-71.8	-177.4	177.5	-173.4	0	113.5	V60 C61 I62	V60-K64 HydrophobicContact CG1-CD 4.24Å; V60-K64 WeakPolarHBondContact O-CG 3.27Å; V60-K64 PolarHBondContact O-N 2.99Å; C61-K64 PolarHBondContact O-N 2.89Å; I62-K64 PolarHBondContact O-N 3.23Å; I62-K64 VanDerWaalsContact O-N 3.1Å
65	L	95.1	Very high	97.3	Very high	93 Å²	93	26.2 Å²	26.2	49%	0.487	14%	0.142	S	C	.	.	H	α-helix	trans	-102.6	-24.9	-168	-62.6	176.4	0	0	0	113.3	C61 I62 L359 A362	C61-L65 WeakPolarHBondContact O-CB 3.34Å; C61-L65 WeakPolarHBondContact O-CG 3.34Å; C61-L65 PolarHBondContact O-N 3.04Å; I62-L65 PolarHBondContact O-N 2.87Å; L65-L359 HydrophobicContact CD1-CD2 3.84Å; L65-A362 HydrophobicContact CD1-CB 4.02Å
66	V	95.3	Very high	97.3	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.042	17%	0.165	C	C	.	.	S	Bend	trans	-97.1	115.4	-175.7	-175.7	0	0	0	0	109.6	I46 I62 C69 V365 V369	I46-V66 HydrophobicContact CD1-CG1 4.33Å; I62-V66 HydrophobicContact CB-CG2 4.39Å; I62-V66 HydrophobicContact CG2-CB 4.17Å; I62-V66 HydrophobicContact CG2-CG2 3.93Å; I62-V66 WeakPolarHBondContact O-CB 3.4Å; I62-V66 PolarHBondContact O-N 3.42Å; V66-C69 HydrophobicContact CB-CB 4.36Å; V66-C69 HydrophobicContact CG1-CB 4.02Å; V66-C69 PolarHBondContact O-SG 3.48Å; V66-V365 HydrophobicContact CG2-CB 4.46Å; V66-V365 HydrophobicContact CG2-CG1 4.08Å; V66-V369 HydrophobicContact CG1-CB 4.3Å; V66-V369 HydrophobicContact CG1-CG1 4.49Å; V66-V369 HydrophobicContact CG1-CG2 3.8Å
67	P	91.6	Very high	97.2	Very high	75 Å²	75	35.3 Å²	35.3	49%	0.487	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	139.6	-175.4	27.8	-33.8	0	0	0	111.8	R373	P67-R373 PolarHBondContact O-NH1 3.41Å; P67-R373 PolarHBondContact O-NH2 3.5Å
68	Q	92.9	Very high	97.2	Very high	120 Å²	120	36.6 Å²	36.6	56%	0.561	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	58.8	176.9	-63.8	172	-20.8	0	0	111.5	T43 A44 R373	T43-Q68 WeakPolarHBondContact CA-O 3.44Å; A44-Q68 PolarHBondContact N-O 2.8Å; Q68-R373 VanDerWaalsContact CB-NH2 3.33Å; Q68-R373 PolarHBondContact O-NH2 2.89Å
69	C	94.8	Very high	97.1	Very high	30 Å²	30	38 Å²	38	20%	0.203	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.7	175.9	73.3	0	0	0	0	112.2	A44 I46 V66	A44-C69 CarbonylContact O-C 3.42Å; A44-C69 VanDerWaalsContact O-CA 3.31Å; A44-C69 WeakPolarHBondContact O-CA 3.44Å; I46-C69 HydrophobicContact CD1-CB 3.61Å; I46-C69 HydrophobicContact CG1-CB 4.49Å; V66-C69 HydrophobicContact CB-CB 4.36Å; V66-C69 HydrophobicContact CG1-CB 4.02Å; V66-C69 PolarHBondContact O-SG 3.48Å
70	S	96.8	Very high	97	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.119	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	114.2	171.8	169.7	0	0	0	0	108.5	R39 A44 I46	R39-S70 PolarHBondContact NH1-OG 2.87Å; A44-S70 PolarHBondContact O-N 2.81Å; I46-S70 PolarHBondContact N-O 3.13Å
71	V	98.3	Very high	97	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.9	-177.7	-177.2	0	0	0	0	110.6	I46 V48 A59 I62 G199 W200	I46-V71 WeakPolarHBondContact O-CA 3.41Å; V48-V71 HydrophobicContact CG2-CG1 3.88Å; A59-V71 HydrophobicContact CB-CG1 3.87Å; I62-V71 HydrophobicContact CB-CG2 4.33Å; I62-V71 HydrophobicContact CG2-CG2 3.62Å; V71-G199 VanDerWaalsContact O-CA 3.27Å; V71-G199 WeakPolarHBondContact O-CA 3.43Å; V71-W200 PolarHBondContact O-N 3.01Å; V71-W200 VanDerWaalsContact O-N 3.13Å
72	T	98.8	Very high	96.9	Very high	18 Å²	18	47.9 Å²	47.9	11%	0.11	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.4	169.3	-57.7	0	0	0	0	109.4	I46 A47 V48 I74 W200 F216	I46-T72 PolarHBondContact O-N 3.43Å; A47-T72 CarbonylContact C-O 3.21Å; A47-T72 WeakPolarHBondContact CA-O 3.48Å; V48-T72 PolarHBondContact N-O 2.97Å; T72-I74 HydrophobicContact CG2-CD1 4.46Å; T72-I74 HydrophobicContact CG2-CG1 3.96Å; T72-W200 CarbonylContact C-O 3.55Å; T72-W200 WeakPolarHBondContact CA-O 3.43Å; T72-W200 HydrophobicContact CG2-CB 4.06Å; T72-F216 HydrophobicContact CG2-CE1 4.43Å; T72-F216 HydrophobicContact CG2-CZ 4.09Å
73	I	98.9	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.4	171.8	-56.8	165.8	0	0	0	108.5	V48 A51 L56 A59 F78 I194 W200 M201 L202	V48-I73 CarbonylContact O-C 3.47Å; V48-I73 WeakPolarHBondContact O-CA 3.3Å; A51-I73 HydrophobicContact CB-CG2 4.13Å; L56-I73 HydrophobicContact CD2-CD1 3.39Å; L56-I73 HydrophobicContact CD2-CG2 4.46Å; A59-I73 HydrophobicContact CB-CD1 4.12Å; A59-I73 HydrophobicContact CB-CG1 4.01Å; I73-F78 HydrophobicContact CG2-CE1 4.02Å; I73-F78 HydrophobicContact CG2-CZ 4.23Å; I73-I194 HydrophobicContact CD1-CB 4.5Å; I73-I194 HydrophobicContact CD1-CD1 3.36Å; I73-I194 HydrophobicContact CD1-CG1 4.46Å; I73-I194 HydrophobicContact CD1-CG2 4.04Å; I73-W200 PolarHBondContact N-O 3.46Å; I73-M201 HydrophobicContact CB-CG 4.29Å; I73-M201 HydrophobicContact CD1-CG 4.07Å; I73-M201 CarbonylContact O-C 3.55Å; I73-M201 WeakPolarHBondContact O-CA 3.35Å; I73-L202 PolarHBondContact O-N 3.02Å
74	I	98.9	Very high	96.9	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.2	177.9	-50	176.2	0	0	0	108.2	A47 V48 V49 G50 T72 L202 R204 I206 L212 F216	A47-I74 HydrophobicContact CB-CD1 4.18Å; V48-I74 PolarHBondContact O-N 2.92Å; V49-I74 CarbonylContact C-O 3.59Å; V49-I74 VanDerWaalsContact CA-O 3.3Å; V49-I74 WeakPolarHBondContact CA-O 3.34Å; G50-I74 PolarHBondContact N-O 2.66Å; T72-I74 HydrophobicContact CG2-CD1 4.46Å; T72-I74 HydrophobicContact CG2-CG1 3.96Å; I74-L202 WeakPolarHBondContact CA-O 3.43Å; I74-L202 HydrophobicContact CG1-CB 4.32Å; I74-L202 HydrophobicContact CG1-CD2 4.44Å; I74-L202 HydrophobicContact CG2-CD2 4.34Å; I74-R204 HydrophobicContact CG2-CB 3.96Å; I74-R204 HydrophobicContact CG2-CG 4.47Å; I74-I206 HydrophobicContact CG2-CD1 4Å; I74-I206 HydrophobicContact CG2-CG1 3.97Å; I74-L212 HydrophobicContact CD1-CD2 3.51Å; I74-F216 HydrophobicContact CD1-CE2 3.85Å; I74-F216 HydrophobicContact CD1-CZ 4.02Å
75	S	98.7	Very high	97	Very high	11 Å²	11	44.7 Å²	44.7	8%	0.077	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	148	-178.6	-164	0	0	0	0	110.4	A51 K77 F78 L202 T203 R204	A51-S75 PolarHBondContact N-OG 2.85Å; S75-K77 VanDerWaalsContact C-N 3.35Å; S75-K77 VanDerWaalsContact CB-O 3.3Å; S75-K77 WeakPolarHBondContact CB-O 3.36Å; S75-K77 PolarHBondContact OG-O 2.87Å; S75-F78 WeakPolarHBondContact O-CE2 3.37Å; S75-L202 PolarHBondContact N-O 3.29Å; S75-L202 VanDerWaalsContact N-O 3.09Å; S75-T203 CarbonylContact O-C 3.58Å; S75-T203 VanDerWaalsContact O-CA 3.27Å; S75-T203 WeakPolarHBondContact O-CA 3.43Å; S75-R204 CarbonylContact C-O 3.58Å; S75-R204 PolarHBondContact O-N 3.22Å
76	D	97.9	Very high	97.1	Very high	88 Å²	88	41.4 Å²	41.4	47%	0.471	23%	0.232	S	C	.	.	S	Bend	trans	-75.1	-29.8	171.4	67.1	-28.4	0	0	0	111.5	R204 R205	D76-R204 PolarHBondContact N-O 2.83Å; D76-R205 HydrophobicContact CB-CB 4.16Å
77	K	97.9	Very high	97.2	Very high	104 Å²	104	42.9 Å²	42.9	45%	0.452	25%	0.245	S	C	.	.			trans	-126.2	141.8	178.9	-60.8	177.3	-171.6	-179	0	111.4	S75 D81	S75-K77 VanDerWaalsContact C-N 3.35Å; S75-K77 VanDerWaalsContact CB-O 3.3Å; S75-K77 WeakPolarHBondContact CB-O 3.36Å; S75-K77 PolarHBondContact OG-O 2.87Å; K77-D81 HydrophobicContact CB-CB 4.48Å; K77-D81 WeakPolarHBondContact CD-O 3.3Å
78	F	98.4	Very high	97.4	Very high	26 Å²	26	40.1 Å²	40.1	11%	0.114	23%	0.229	C	C	.	.			trans	-123	177.8	170.4	-73.7	-93.6	0	0	0	108.7	A51 I73 S75 D81 M201	A51-F78 HydrophobicContact CB-CD1 3.26Å; A51-F78 HydrophobicContact CB-CE1 3.3Å; A51-F78 HydrophobicContact CB-CG 3.93Å; A51-F78 HydrophobicContact CB-CZ 4Å; I73-F78 HydrophobicContact CG2-CE1 4.02Å; I73-F78 HydrophobicContact CG2-CZ 4.23Å; S75-F78 WeakPolarHBondContact O-CE2 3.37Å; F78-D81 PolarHBondContact O-N 2.89Å; F78-M201 HydrophobicContact CD1-CE 3.26Å; F78-M201 HydrophobicContact CE1-CB 4.17Å; F78-M201 HydrophobicContact CE1-CE 3.2Å; F78-M201 HydrophobicContact CE1-CG 4.27Å; F78-M201 HydrophobicContact CG-CE 4.31Å; F78-M201 HydrophobicContact CZ-CB 4.22Å; F78-M201 HydrophobicContact CZ-CE 4.2Å
79	T	97.2	Very high	97.6	Very high	31 Å²	31	34.6 Å²	34.6	19%	0.19	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	136.6	172.4	-168.8	0	0	0	0	110	D85 L187 P188	T79-D85 WeakPolarHBondContact CA-OD2 3.2Å; T79-D85 PolarHBondContact OG1-OD1 2.87Å; T79-L187 HydrophobicContact CG2-CB 4.44Å; T79-P188 HydrophobicContact CG2-CG 3.76Å
80	P	96.9	Very high	97.7	Very high	85 Å²	85	33.8 Å²	33.8	55%	0.552	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	cis	-95.8	17	12	39.5	-36.8	0	0	0	115.2	D85	P80-D85 VanDerWaalsContact C-CG 3.48Å; P80-D85 VanDerWaalsContact O-CB 3.29Å; P80-D85 WeakPolarHBondContact O-CB 3.42Å
81	D	97.1	Very high	97.8	Very high	114 Å²	114	33 Å²	33	61%	0.61	19%	0.191	S	C	*	.	S	Bend	trans	-104	19.1	-166.8	-60.2	-48.3	0	0	0	114	K77 F78 D85	K77-D81 HydrophobicContact CB-CB 4.48Å; K77-D81 WeakPolarHBondContact CD-O 3.3Å; F78-D81 PolarHBondContact O-N 2.89Å; D81-D85 PolarHBondContact N-OD2 2.83Å
82	T	98.2	Very high	97.7	Very high	15 Å²	15	33 Å²	33	9%	0.092	19%	0.191	C	C	.	.	S	Bend	trans	-93.8	158.3	177	78.7	0	0	0	0	111.7	S84 D85 L187	T82-S84 PolarHBondContact O-N 2.96Å; T82-S84 WeakPolarHBondContact OG1-CB 3.41Å; T82-S84 PolarHBondContact OG1-N 2.85Å; T82-D85 WeakPolarHBondContact CA-OD2 3.22Å; T82-D85 VanDerWaalsContact CB-OD2 3.28Å; T82-D85 WeakPolarHBondContact CB-OD2 3.04Å; T82-D85 PolarHBondContact N-OD2 3.22Å; T82-D85 WeakPolarHBondContact O-CB 3.45Å; T82-D85 PolarHBondContact O-N 2.77Å; T82-D85 VanDerWaalsContact O-N 3.1Å; T82-D85 PolarHBondContact OG1-N 3.31Å; T82-D85 PolarHBondContact OG1-OD2 2.87Å; T82-L187 HydrophobicContact CG2-CD1 4.41Å; T82-L187 WeakPolarHBondContact OG1-CD1 3.44Å
83	T	97.9	Very high	97.4	Very high	67 Å²	67	32.5 Å²	32.5	41%	0.411	19%	0.188	S	C	.	.	H	α-helix	trans	-56.5	-30.9	169.2	-57.8	0	0	0	0	111.9	D85 V86 A87 L317	T83-D85 VanDerWaalsContact C-N 3.34Å; T83-V86 PolarHBondContact O-N 3.08Å; T83-A87 PolarHBondContact O-N 2.73Å; T83-L317 VanDerWaalsContact CG2-O 3.28Å; T83-L317 WeakPolarHBondContact CG2-O 3.19Å
84	S	98.2	Very high	97	Very high	18 Å²	18	34.8 Å²	34.8	13%	0.126	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-37.2	178.2	-65	0	0	0	0	111.7	V53 T82 V86 A87 C183	V53-S84 WeakPolarHBondContact CG1-OG 3.42Å; V53-S84 PolarHBondContact N-OG 2.92Å; T82-S84 PolarHBondContact O-N 2.96Å; T82-S84 WeakPolarHBondContact OG1-CB 3.41Å; T82-S84 PolarHBondContact OG1-N 2.85Å; S84-V86 PolarHBondContact O-N 2.83Å; S84-A87 VanDerWaalsContact O-CB 3.3Å; S84-A87 WeakPolarHBondContact O-CB 3.47Å; S84-A87 PolarHBondContact O-N 2.96Å; S84-C183 WeakPolarHBondContact O-CB 3.38Å
85	D	97.6	Very high	96.7	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-23.8	178	-61.7	-70.2	0	0	0	113.3	T79 P80 D81 T82 T83 P184	T79-D85 WeakPolarHBondContact CA-OD2 3.2Å; T79-D85 PolarHBondContact OG1-OD1 2.87Å; P80-D85 VanDerWaalsContact C-CG 3.48Å; P80-D85 VanDerWaalsContact O-CB 3.29Å; P80-D85 WeakPolarHBondContact O-CB 3.42Å; D81-D85 PolarHBondContact N-OD2 2.83Å; T82-D85 WeakPolarHBondContact CA-OD2 3.22Å; T82-D85 VanDerWaalsContact CB-OD2 3.28Å; T82-D85 WeakPolarHBondContact CB-OD2 3.04Å; T82-D85 PolarHBondContact N-OD2 3.22Å; T82-D85 WeakPolarHBondContact O-CB 3.45Å; T82-D85 PolarHBondContact O-N 2.77Å; T82-D85 VanDerWaalsContact O-N 3.1Å; T82-D85 PolarHBondContact OG1-N 3.31Å; T82-D85 PolarHBondContact OG1-OD2 2.87Å; T83-D85 VanDerWaalsContact C-N 3.34Å; D85-P184 HydrophobicContact CB-CG 4.26Å
86	V	97.3	Very high	96.6	Very high	23 Å²	23	39.2 Å²	39.2	14%	0.139	22%	0.224	C	C	.	.	H	α-helix	trans	-86.6	-20.1	176.5	179.2	0	0	0	0	112.3	T83 S84 V243 K314	T83-V86 PolarHBondContact O-N 3.08Å; S84-V86 PolarHBondContact O-N 2.83Å; V86-V243 HydrophobicContact CG1-CG2 4.49Å; V86-K314 HydrophobicContact CG1-CB 3.86Å
87	A	96.4	Very high	96.5	Very high	39 Å²	39	39.1 Å²	39.1	32%	0.322	23%	0.228	S	C	.	.	S	Bend	trans	-65.6	146.1	-173.5	0	0	0	0	0	111.8	T83 S84 G89 I351	T83-A87 PolarHBondContact O-N 2.73Å; S84-A87 VanDerWaalsContact O-CB 3.3Å; S84-A87 WeakPolarHBondContact O-CB 3.47Å; S84-A87 PolarHBondContact O-N 2.96Å; A87-G89 PolarHBondContact O-N 3.31Å; A87-I351 HydrophobicContact CB-CD1 3.39Å; A87-I351 HydrophobicContact CB-CG1 4.44Å
88	A	96.6	Very high	96.5	Very high	17 Å²	17	39.4 Å²	39.4	14%	0.14	24%	0.235	C	C	.	.			trans	-70.8	-15.4	-174.1	0	0	0	0	0	114	M90 K180 Y263 Y265 T272	A88-M90 PolarHBondContact O-N 2.86Å; A88-K180 WeakPolarHBondContact O-CE 3.44Å; A88-K180 PolarHBondContact O-NZ 3.29Å; A88-Y263 HydrophobicContact CB-CE2 4.06Å; A88-Y265 HydrophobicContact CB-CD2 3.63Å; A88-Y265 HydrophobicContact CB-CE2 4.06Å; A88-T272 HydrophobicContact CB-CG2 3.81Å
89	G	96.6	Very high	96.4	Very high	3 Å²	3	39 Å²	39	3%	0.031	23%	0.234	C	C	.	.			trans	86.2	-11.9	168.8	0	0	0	0	0	116.8	A87 K180 C181	A87-G89 PolarHBondContact O-N 3.31Å; G89-K180 WeakPolarHBondContact O-CA 3.43Å; G89-C181 WeakPolarHBondContact CA-O 3.22Å; G89-C181 PolarHBondContact O-N 3.04Å
90	M	97.9	Very high	96.5	Very high	14 Å²	14	41 Å²	41	7%	0.069	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-67.9	135	-177.6	-71.3	-64.3	-69.9	0	0	113.4	A88 I92 V132 T178 K180 F254 Y265	A88-M90 PolarHBondContact O-N 2.86Å; M90-I92 HydrophobicContact CB-CD1 4.48Å; M90-I92 HydrophobicContact CB-CG1 4.45Å; M90-I92 HydrophobicContact CE-CD1 4.34Å; M90-I92 PolarHBondContact O-N 2.78Å; M90-I92 VanDerWaalsContact O-N 3.08Å; M90-V132 HydrophobicContact CE-CG1 3.63Å; M90-V132 HydrophobicContact SD-CG1 3.66Å; M90-T178 HydrophobicContact CE-CG2 3.55Å; M90-K180 HydrophobicContact SD-CB 3.94Å; M90-K180 HydrophobicContact SD-CD 4.06Å; M90-K180 HydrophobicContact SD-CG 4.06Å; M90-F254 HydrophobicContact CE-CB 3.81Å; M90-F254 HydrophobicContact CE-CD1 3.52Å; M90-F254 HydrophobicContact CE-CD2 4.13Å; M90-F254 HydrophobicContact CE-CE1 4.13Å; M90-F254 HydrophobicContact CE-CG 3.55Å; M90-Y265 HydrophobicContact CB-CD2 4.04Å; M90-Y265 HydrophobicContact CB-CE2 3.91Å; M90-Y265 HydrophobicContact CB-CG 4.42Å; M90-Y265 HydrophobicContact CE-CD1 4.31Å; M90-Y265 HydrophobicContact CE-CE1 4.45Å; M90-Y265 HydrophobicContact CG-CD1 3.56Å; M90-Y265 HydrophobicContact CG-CD2 3.23Å; M90-Y265 HydrophobicContact CG-CE1 3.84Å; M90-Y265 HydrophobicContact CG-CE2 3.56Å; M90-Y265 HydrophobicContact CG-CG 3.24Å; M90-Y265 HydrophobicContact SD-CD1 4.24Å; M90-Y265 HydrophobicContact SD-CG 4.16Å
91	L	98.3	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.242	C	C	.	.			trans	-82.7	81.1	171.4	-90.6	67.9	0	0	0	110.7	F108 F112 L115 T178 L179 C181 I351	L91-F108 HydrophobicContact CB-CE2 4.11Å; L91-F108 HydrophobicContact CD2-CE2 4.48Å; L91-F108 HydrophobicContact CG-CE2 4.46Å; L91-F112 HydrophobicContact CD2-CD2 4.13Å; L91-L115 HydrophobicContact CD1-CD1 3.57Å; L91-L115 HydrophobicContact CD2-CB 4.47Å; L91-L115 HydrophobicContact CD2-CD1 3.58Å; L91-L115 HydrophobicContact CG-CD1 4.14Å; L91-T178 WeakPolarHBondContact CB-OG1 3.33Å; L91-T178 PolarHBondContact O-OG1 2.85Å; L91-L179 HydrophobicContact CB-CB 4.46Å; L91-L179 WeakPolarHBondContact CB-O 3.48Å; L91-L179 HydrophobicContact CD1-CB 4.37Å; L91-L179 HydrophobicContact CD2-CB 4.05Å; L91-L179 HydrophobicContact CD2-CD1 4.26Å; L91-L179 HydrophobicContact CG-CB 4.5Å; L91-L179 PolarHBondContact N-O 3.19Å; L91-C181 HydrophobicContact CD1-CB 4.24Å; L91-I351 HydrophobicContact CD1-CG2 4.05Å
92	I	96.2	Very high	96.5	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.036	24%	0.242	C	C	.	.			trans	-127.6	113.4	169.3	-59.8	175.1	0	0	0	106.5	M90 H94 W149 F176 F254 Y265 S352	M90-I92 HydrophobicContact CB-CD1 4.48Å; M90-I92 HydrophobicContact CB-CG1 4.45Å; M90-I92 HydrophobicContact CE-CD1 4.34Å; M90-I92 PolarHBondContact O-N 2.78Å; M90-I92 VanDerWaalsContact O-N 3.08Å; I92-H94 PolarHBondContact O-N 3.47Å; I92-W149 HydrophobicContact CG2-CZ2 4.43Å; I92-F176 HydrophobicContact CD1-CZ 4.29Å; I92-F176 HydrophobicContact CG1-CE2 4.45Å; I92-F176 HydrophobicContact CG1-CZ 4.36Å; I92-F254 HydrophobicContact CD1-CE2 4.42Å; I92-Y265 HydrophobicContact CD1-CE1 4.47Å; I92-S352 PolarHBondContact N-OG 2.94Å; I92-S352 PolarHBondContact O-OG 2.9Å; I92-S352 VanDerWaalsContact O-OG 3.12Å
93	P	92.7	Very high	96.5	Very high	7 Å²	7	43 Å²	43	5%	0.045	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-76.4	124.2	-174.7	30.4	-33.4	0	0	0	110.4	F108 F148 W149	P93-F108 HydrophobicContact CB-CB 4.37Å; P93-F108 HydrophobicContact CB-CD2 3.89Å; P93-F108 HydrophobicContact CB-CE2 4.36Å; P93-F108 HydrophobicContact CB-CG 4.02Å; P93-F108 HydrophobicContact CG-CD1 3.98Å; P93-F108 HydrophobicContact CG-CD2 3.94Å; P93-F108 HydrophobicContact CG-CE1 4.09Å; P93-F108 HydrophobicContact CG-CE2 4.07Å; P93-F108 HydrophobicContact CG-CG 3.91Å; P93-F108 HydrophobicContact CG-CZ 4.15Å; P93-F148 HydrophobicContact CB-CZ 4.1Å; P93-F148 HydrophobicContact CG-CE2 4.44Å; P93-F148 HydrophobicContact CG-CZ 4.06Å; P93-W149 HydrophobicContact CG-CB 3.68Å; P93-W149 HydrophobicContact CG-CD2 4.04Å; P93-W149 HydrophobicContact CG-CG 3.39Å
94	H	89.3	Confident	96.6	Very high	47 Å²	47	39.8 Å²	39.8	22%	0.218	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-85.9	129.6	170.9	-73	-94.2	0	0	0	109.7	I92 Y96 Q104	I92-H94 PolarHBondContact O-N 3.47Å; H94-Y96 PolarHBondContact O-N 2.94Å; H94-Q104 PolarHBondContact O-NE2 2.71Å
95	T	93.5	Very high	96.6	Very high	96 Å²	96	41.2 Å²	41.2	59%	0.589	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-56.1	130	177.9	-49	0	0	0	0	111.5	I101	T95-I101 HydrophobicContact CG2-CD1 4.39Å
96	Y	96.2	Very high	96.6	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.047	25%	0.247	C	C	.	.			trans	-94.6	115.4	170.1	-69.5	-89.1	0	0	0	108.9	H94 D98 T99 Q104 P322 V324 H346 G349 V353	H94-Y96 PolarHBondContact O-N 2.94Å; Y96-D98 VanDerWaalsContact C-N 3.29Å; Y96-D98 PolarHBondContact O-N 2.85Å; Y96-T99 PolarHBondContact O-N 2.86Å; Y96-Q104 HydrophobicContact CD2-CG 4.12Å; Y96-P322 CarbonylContact C-O 3.53Å; Y96-V324 HydrophobicContact CD1-CG2 4.02Å; Y96-V324 HydrophobicContact CE1-CG2 3.63Å; Y96-H346 WeakPolarHBondContact CE1-O 3.14Å; Y96-H346 PolarHBondContact OH-O 3.43Å; Y96-G349 WeakPolarHBondContact OH-CA 3.24Å; Y96-G349 PolarHBondContact OH-O 3.13Å; Y96-V353 HydrophobicContact CE2-CG1 4.44Å; Y96-V353 HydrophobicContact CE2-CG2 4.23Å
97	P	95.9	Very high	96.7	Very high	85 Å²	85	43.9 Å²	43.9	55%	0.552	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-41.6	-177.2	-30.6	34.9	0	0	0	115.1	P322	P97-P322 WeakPolarHBondContact CD-O 3.37Å; P97-P322 VanDerWaalsContact N-O 3.15Å
98	D	97.5	Very high	96.8	Very high	111 Å²	111	42 Å²	42	59%	0.594	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	23.1	-174.2	-64.4	2	0	0	0	112.2	Y96 P322	Y96-D98 VanDerWaalsContact C-N 3.29Å; Y96-D98 PolarHBondContact O-N 2.85Å; D98-P322 HydrophobicContact CB-CB 4.18Å; D98-P322 PolarHBondContact N-O 3.01Å; D98-P322 VanDerWaalsContact OD2-CB 3.25Å; D98-P322 WeakPolarHBondContact OD2-CB 3.37Å
99	T	97.4	Very high	96.9	Very high	16 Å²	16	44.7 Å²	44.7	10%	0.098	24%	0.235	C	C	.	.	S	Bend	trans	-121.7	127.8	175.8	-56.7	0	0	0	0	109.4	Y96 I101 Q104 W107	Y96-T99 PolarHBondContact O-N 2.86Å; T99-I101 PolarHBondContact O-N 2.99Å; T99-Q104 HydrophobicContact CG2-CB 4.17Å; T99-W107 HydrophobicContact CG2-CE3 4.32Å; T99-W107 HydrophobicContact CG2-CH2 3.82Å; T99-W107 HydrophobicContact CG2-CZ3 3.52Å
100	P	97.9	Very high	97.1	Very high	73 Å²	73	46.1 Å²	46.1	47%	0.474	24%	0.241	S	C	.	.			trans	-55.3	133.3	176.7	-24.1	33	0	0	0	111.3	H102 T103 Q104	P100-H102 WeakPolarHBondContact CB-CE1 3.19Å; P100-H102 PolarHBondContact O-N 2.9Å; P100-T103 WeakPolarHBondContact O-CB 3.47Å; P100-T103 PolarHBondContact O-N 3.39Å; P100-Q104 PolarHBondContact O-N 3.26Å
101	I	97.5	Very high	97.1	Very high	82 Å²	82	45.4 Å²	45.4	42%	0.421	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-34.8	-171.7	-161.8	62.3	0	0	0	112.6	T95 T99 Q104 K105 F148	T95-I101 HydrophobicContact CG2-CD1 4.39Å; T99-I101 PolarHBondContact O-N 2.99Å; I101-Q104 PolarHBondContact O-N 2.88Å; I101-K105 VanDerWaalsContact O-CB 3.24Å; I101-K105 WeakPolarHBondContact O-CB 3.31Å; I101-K105 PolarHBondContact O-N 3.16Å; I101-F148 HydrophobicContact CD1-CB 4.32Å; I101-F148 HydrophobicContact CD1-CD1 3.5Å; I101-F148 VanDerWaalsContact CD1-CD1 3.5Å; I101-F148 HydrophobicContact CD1-CD2 3.95Å; I101-F148 HydrophobicContact CD1-CE1 3.62Å; I101-F148 HydrophobicContact CD1-CE2 4.07Å; I101-F148 HydrophobicContact CD1-CG 3.66Å; I101-F148 HydrophobicContact CD1-CZ 3.91Å; I101-F148 HydrophobicContact CG1-CB 3.92Å; I101-F148 HydrophobicContact CG1-CD1 4.07Å; I101-F148 HydrophobicContact CG1-CD2 4.06Å; I101-F148 HydrophobicContact CG1-CG 3.75Å
102	H	98.1	Very high	97.1	Very high	134 Å²	134	45.6 Å²	45.6	62%	0.62	24%	0.238	S	C	*	.	H	α-helix	trans	-67.8	-39.2	177.7	66.1	-90	0	0	0	111.7	P100 K105 Q106	P100-H102 WeakPolarHBondContact CB-CE1 3.19Å; P100-H102 PolarHBondContact O-N 2.9Å; H102-K105 PolarHBondContact O-N 3.1Å; H102-Q106 WeakPolarHBondContact O-CB 3.38Å; H102-Q106 PolarHBondContact O-N 3.33Å
103	T	98.4	Very high	97.3	Very high	40 Å²	40	49.6 Å²	49.6	25%	0.245	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-47.9	174.5	-50.1	0	0	0	0	110.4	P100 K105 Q106 W107	P100-T103 WeakPolarHBondContact O-CB 3.47Å; P100-T103 PolarHBondContact O-N 3.39Å; T103-K105 VanDerWaalsContact C-N 3.34Å; T103-K105 PolarHBondContact O-N 3.2Å; T103-Q106 WeakPolarHBondContact O-CB 3.39Å; T103-Q106 PolarHBondContact O-N 3.35Å; T103-Q106 VanDerWaalsContact O-N 3.16Å; T103-W107 HydrophobicContact CG2-CD2 4.19Å; T103-W107 HydrophobicContact CG2-CH2 4.04Å; T103-W107 HydrophobicContact CG2-CZ2 3.49Å; T103-W107 VanDerWaalsContact CG2-CZ2 3.49Å; T103-W107 PolarHBondContact O-N 2.99Å
104	Q	98.4	Very high	97.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-44.9	176.4	176.5	176.5	-3.6	0	0	111.8	H94 Y96 T99 P100 I101 Q106 W107 F108 F148	H94-Q104 PolarHBondContact O-NE2 2.71Å; Y96-Q104 HydrophobicContact CD2-CG 4.12Å; T99-Q104 HydrophobicContact CG2-CB 4.17Å; P100-Q104 PolarHBondContact O-N 3.26Å; I101-Q104 PolarHBondContact O-N 2.88Å; Q104-Q106 VanDerWaalsContact C-N 3.28Å; Q104-Q106 PolarHBondContact O-N 3.01Å; Q104-W107 PolarHBondContact O-N 3.24Å; Q104-F108 PolarHBondContact O-N 3.11Å; Q104-F148 HydrophobicContact CG-CE2 4.21Å; Q104-F148 HydrophobicContact CG-CZ 4.15Å
105	K	98.6	Very high	98	Very high	49 Å²	49	48.6 Å²	48.6	21%	0.213	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-42.1	176.3	-174.6	177.8	-176.9	162.3	0	111.2	I101 H102 T103 F108 R109 F148 D151 V152	I101-K105 VanDerWaalsContact O-CB 3.24Å; I101-K105 WeakPolarHBondContact O-CB 3.31Å; I101-K105 PolarHBondContact O-N 3.16Å; H102-K105 PolarHBondContact O-N 3.1Å; T103-K105 VanDerWaalsContact C-N 3.34Å; T103-K105 PolarHBondContact O-N 3.2Å; K105-F108 PolarHBondContact O-N 3.2Å; K105-R109 VanDerWaalsContact CE-NH2 3.31Å; K105-R109 WeakPolarHBondContact O-CB 3.21Å; K105-R109 PolarHBondContact O-N 2.81Å; K105-F148 HydrophobicContact CB-CD2 3.83Å; K105-F148 HydrophobicContact CB-CE2 4.12Å; K105-F148 HydrophobicContact CD-CD2 4.45Å; K105-F148 WeakPolarHBondContact CD-O 3.35Å; K105-F148 WeakPolarHBondContact CE-O 3.45Å; K105-F148 HydrophobicContact CG-CD2 4.12Å; K105-F148 PolarHBondContact NZ-O 3.45Å; K105-D151 WeakPolarHBondContact CE-OD1 3.43Å; K105-D151 WeakPolarHBondContact CE-OD2 3.47Å; K105-D151 VanDerWaalsContact NZ-CG 3.26Å; K105-D151 IonicContact NZ-OD1 3.62Å; K105-D151 PolarHBondContact NZ-OD1 3.41Å; K105-D151 IonicContact NZ-OD2 3.32Å; K105-D151 PolarHBondContact NZ-OD2 2.96Å; K105-V152 HydrophobicContact CG-CG2 4.42Å
106	Q	98.8	Very high	98.3	Very high	71 Å²	71	47.3 Å²	47.3	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-45.9	177.5	-175.3	58.5	21	0	0	111.5	H102 T103 Q104 F108 R109 E110	H102-Q106 WeakPolarHBondContact O-CB 3.38Å; H102-Q106 PolarHBondContact O-N 3.33Å; T103-Q106 WeakPolarHBondContact O-CB 3.39Å; T103-Q106 PolarHBondContact O-N 3.35Å; T103-Q106 VanDerWaalsContact O-N 3.16Å; Q104-Q106 VanDerWaalsContact C-N 3.28Å; Q104-Q106 PolarHBondContact O-N 3.01Å; Q106-F108 VanDerWaalsContact C-N 3.29Å; Q106-F108 PolarHBondContact O-N 3.33Å; Q106-R109 PolarHBondContact O-N 2.82Å; Q106-R109 VanDerWaalsContact O-N 3.16Å; Q106-E110 PolarHBondContact NE2-OE1 3.32Å; Q106-E110 WeakPolarHBondContact O-CG 3.09Å; Q106-E110 PolarHBondContact O-N 3.14Å
107	W	98.9	Very high	98.4	Very high	18 Å²	18	49.7 Å²	49.7	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-38.9	175.7	-62.1	-26.7	0	0	0	112.8	T99 T103 Q104 T111 V324 L326 V353 T357	T99-W107 HydrophobicContact CG2-CE3 4.32Å; T99-W107 HydrophobicContact CG2-CH2 3.82Å; T99-W107 HydrophobicContact CG2-CZ3 3.52Å; T103-W107 HydrophobicContact CG2-CD2 4.19Å; T103-W107 HydrophobicContact CG2-CH2 4.04Å; T103-W107 HydrophobicContact CG2-CZ2 3.49Å; T103-W107 VanDerWaalsContact CG2-CZ2 3.49Å; T103-W107 PolarHBondContact O-N 2.99Å; Q104-W107 PolarHBondContact O-N 3.24Å; W107-T111 WeakPolarHBondContact O-CB 3.43Å; W107-T111 PolarHBondContact O-N 3.43Å; W107-T111 VanDerWaalsContact O-N 3.08Å; W107-T111 PolarHBondContact O-OG1 2.79Å; W107-V324 HydrophobicContact CZ3-CB 4.39Å; W107-V324 HydrophobicContact CZ3-CG2 4.28Å; W107-L326 HydrophobicContact CH2-CD2 4.48Å; W107-L326 HydrophobicContact CZ2-CD2 3.93Å; W107-V353 HydrophobicContact CB-CB 3.93Å; W107-V353 HydrophobicContact CB-CG1 4.21Å; W107-T357 HydrophobicContact CB-CG2 4.33Å; W107-T357 HydrophobicContact CD2-CG2 3.44Å; W107-T357 VanDerWaalsContact CD2-CG2 3.44Å; W107-T357 HydrophobicContact CE3-CG2 3.46Å; W107-T357 VanDerWaalsContact CE3-CG2 3.46Å; W107-T357 HydrophobicContact CG-CG2 3.86Å; W107-T357 HydrophobicContact CH2-CG2 4.27Å; W107-T357 HydrophobicContact CZ2-CG2 4.25Å; W107-T357 HydrophobicContact CZ3-CG2 3.88Å
108	F	98.9	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-46.7	174.1	178	-115.9	0	0	0	111.2	L91 P93 Q104 K105 Q106 E110 T111 F112 W149 V152 V153 S352 V353	L91-F108 HydrophobicContact CB-CE2 4.11Å; L91-F108 HydrophobicContact CD2-CE2 4.48Å; L91-F108 HydrophobicContact CG-CE2 4.46Å; P93-F108 HydrophobicContact CB-CB 4.37Å; P93-F108 HydrophobicContact CB-CD2 3.89Å; P93-F108 HydrophobicContact CB-CE2 4.36Å; P93-F108 HydrophobicContact CB-CG 4.02Å; P93-F108 HydrophobicContact CG-CD1 3.98Å; P93-F108 HydrophobicContact CG-CD2 3.94Å; P93-F108 HydrophobicContact CG-CE1 4.09Å; P93-F108 HydrophobicContact CG-CE2 4.07Å; P93-F108 HydrophobicContact CG-CG 3.91Å; P93-F108 HydrophobicContact CG-CZ 4.15Å; Q104-F108 PolarHBondContact O-N 3.11Å; K105-F108 PolarHBondContact O-N 3.2Å; Q106-F108 VanDerWaalsContact C-N 3.29Å; Q106-F108 PolarHBondContact O-N 3.33Å; F108-E110 PolarHBondContact O-N 2.96Å; F108-T111 PolarHBondContact O-N 3.36Å; F108-F112 HydrophobicContact CE2-CD2 4.5Å; F108-F112 AromaticContact CZ-CD2 3.97Å; F108-F112 HydrophobicContact CZ-CD2 3.97Å; F108-F112 VanDerWaalsContact O-CB 3.31Å; F108-F112 WeakPolarHBondContact O-CB 3.32Å; F108-F112 PolarHBondContact O-N 3.39Å; F108-W149 HydrophobicContact CD1-CB 3.82Å; F108-W149 HydrophobicContact CE1-CB 3.79Å; F108-V152 HydrophobicContact CD1-CB 3.91Å; F108-V152 HydrophobicContact CD1-CG1 3.61Å; F108-V152 HydrophobicContact CD1-CG2 4.32Å; F108-V152 HydrophobicContact CE1-CB 3.76Å; F108-V152 HydrophobicContact CE1-CG1 3.54Å; F108-V152 HydrophobicContact CZ-CG1 4.49Å; F108-V153 HydrophobicContact CE1-CG1 4.05Å; F108-V153 HydrophobicContact CZ-CG1 3.93Å; F108-S352 VanDerWaalsContact CD2-O 3.31Å; F108-S352 WeakPolarHBondContact CD2-O 3.42Å; F108-V353 HydrophobicContact CB-CG1 4.44Å
109	R	98.9	Very high	98.6	Very high	73 Å²	73	41.9 Å²	41.9	28%	0.275	22%	0.22	S	C	.	.	H	α-helix	trans	-60.1	-45.8	178.2	-176.9	-179.3	-67.5	128.7	-9	112.6	K105 Q106 T111 F112 N113 D151 V152	K105-R109 VanDerWaalsContact CE-NH2 3.31Å; K105-R109 WeakPolarHBondContact O-CB 3.21Å; K105-R109 PolarHBondContact O-N 2.81Å; Q106-R109 PolarHBondContact O-N 2.82Å; Q106-R109 VanDerWaalsContact O-N 3.16Å; R109-T111 VanDerWaalsContact C-N 3.3Å; R109-T111 PolarHBondContact O-N 2.76Å; R109-F112 PolarHBondContact O-N 2.81Å; R109-N113 WeakPolarHBondContact O-CB 2.99Å; R109-N113 PolarHBondContact O-N 3.48Å; R109-N113 PolarHBondContact O-ND2 2.98Å; R109-D151 IonicContact NH2-OD2 3.6Å; R109-D151 PolarHBondContact NH2-OD2 3Å; R109-V152 HydrophobicContact CB-CG1 4.03Å; R109-V152 HydrophobicContact CB-CG2 4.16Å; R109-V152 HydrophobicContact CG-CG1 4.27Å; R109-V152 HydrophobicContact CG-CG2 4.45Å
110	E	98.9	Very high	98.6	Very high	33 Å²	33	46.2 Å²	46.2	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-39.5	177.6	-72.1	169.6	175.6	0	0	111.7	Q106 F108 H114 G356 L359	Q106-E110 PolarHBondContact NE2-OE1 3.32Å; Q106-E110 WeakPolarHBondContact O-CG 3.09Å; Q106-E110 PolarHBondContact O-N 3.14Å; F108-E110 PolarHBondContact O-N 2.96Å; E110-H114 WeakPolarHBondContact O-CB 3.34Å; E110-H114 PolarHBondContact O-N 3.28Å; E110-G356 WeakPolarHBondContact OE2-CA 3.35Å; E110-L359 HydrophobicContact CB-CD1 4.19Å; E110-L359 HydrophobicContact CG-CD1 4.32Å
111	T	98.9	Very high	98.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69	-43.3	175.8	-53.8	0	0	0	0	112.1	W107 F108 R109 H114 L115 S352 V353 H354 W355 G356	W107-T111 WeakPolarHBondContact O-CB 3.43Å; W107-T111 PolarHBondContact O-N 3.43Å; W107-T111 VanDerWaalsContact O-N 3.08Å; W107-T111 PolarHBondContact O-OG1 2.79Å; F108-T111 PolarHBondContact O-N 3.36Å; R109-T111 VanDerWaalsContact C-N 3.3Å; R109-T111 PolarHBondContact O-N 2.76Å; T111-H114 PolarHBondContact O-N 3.43Å; T111-L115 HydrophobicContact CG2-CD1 4.17Å; T111-L115 WeakPolarHBondContact O-CB 3.45Å; T111-L115 WeakPolarHBondContact O-CG 3.24Å; T111-L115 PolarHBondContact O-N 2.69Å; T111-S352 VanDerWaalsContact CB-O 3.26Å; T111-S352 WeakPolarHBondContact CB-O 3.28Å; T111-S352 WeakPolarHBondContact CG2-O 3.36Å; T111-V353 VanDerWaalsContact OG1-C 3.22Å; T111-V353 WeakPolarHBondContact OG1-CA 3.3Å; T111-H354 WeakPolarHBondContact CG2-ND1 3.25Å; T111-W355 HydrophobicContact CG2-CB 4.1Å; T111-W355 PolarHBondContact OG1-N 2.92Å; T111-G356 PolarHBondContact OG1-N 3.46Å; T111-G356 VanDerWaalsContact OG1-N 3.09Å
112	F	98.9	Very high	98.7	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.013	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-50.6	177.1	-169.3	-82.8	0	0	0	110.4	L91 F108 R109 H114 L115 F116 V152 V153 L154 L179	L91-F112 HydrophobicContact CD2-CD2 4.13Å; F108-F112 HydrophobicContact CE2-CD2 4.5Å; F108-F112 AromaticContact CZ-CD2 3.97Å; F108-F112 HydrophobicContact CZ-CD2 3.97Å; F108-F112 VanDerWaalsContact O-CB 3.31Å; F108-F112 WeakPolarHBondContact O-CB 3.32Å; F108-F112 PolarHBondContact O-N 3.39Å; R109-F112 PolarHBondContact O-N 2.81Å; F112-H114 VanDerWaalsContact C-N 3.32Å; F112-H114 PolarHBondContact O-N 3.07Å; F112-L115 PolarHBondContact O-N 3.05Å; F112-F116 HydrophobicContact CD1-CB 4.36Å; F112-F116 HydrophobicContact CE1-CB 4.28Å; F112-F116 HydrophobicContact CE1-CD2 4.35Å; F112-F116 HydrophobicContact CE1-CG 4.42Å; F112-F116 WeakPolarHBondContact O-CB 3.45Å; F112-F116 PolarHBondContact O-N 3.08Å; F112-V152 HydrophobicContact CB-CG1 3.84Å; F112-V152 HydrophobicContact CD1-CG1 4.41Å; F112-V152 WeakPolarHBondContact CE1-O 3.33Å; F112-V152 HydrophobicContact CG-CG1 4Å; F112-V153 HydrophobicContact CE2-CG1 4.26Å; F112-L154 HydrophobicContact CE1-CD2 4.35Å; F112-L154 HydrophobicContact CE1-CG 4.32Å; F112-L154 HydrophobicContact CZ-CD1 4.49Å; F112-L154 HydrophobicContact CZ-CD2 4.5Å; F112-L154 HydrophobicContact CZ-CG 4.01Å; F112-L179 HydrophobicContact CD1-CD1 4.45Å; F112-L179 HydrophobicContact CD2-CD1 4.13Å; F112-L179 HydrophobicContact CE1-CD1 4.31Å; F112-L179 HydrophobicContact CE2-CD1 3.99Å; F112-L179 HydrophobicContact CE2-CG 4.33Å; F112-L179 HydrophobicContact CG-CD1 4.35Å; F112-L179 HydrophobicContact CZ-CD1 4.07Å; F112-L179 HydrophobicContact CZ-CG 4.43Å
113	N	98.9	Very high	98.7	Very high	91 Å²	91	43.8 Å²	43.8	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-40.5	179.2	-70.7	-12.9	0	0	0	112.1	R109 A117	R109-N113 WeakPolarHBondContact O-CB 2.99Å; R109-N113 PolarHBondContact O-N 3.48Å; R109-N113 PolarHBondContact O-ND2 2.98Å; N113-A117 PolarHBondContact O-N 3.4Å
114	H	98.9	Very high	98.7	Very high	33 Å²	33	42.8 Å²	42.8	15%	0.153	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-51.7	176.4	179.3	64.4	0	0	0	112	E110 T111 F112 F116 A117 I118 Y186 W355	E110-H114 WeakPolarHBondContact O-CB 3.34Å; E110-H114 PolarHBondContact O-N 3.28Å; T111-H114 PolarHBondContact O-N 3.43Å; F112-H114 VanDerWaalsContact C-N 3.32Å; F112-H114 PolarHBondContact O-N 3.07Å; H114-F116 VanDerWaalsContact C-N 3.33Å; H114-A117 PolarHBondContact O-N 3.45Å; H114-I118 WeakPolarHBondContact NE2-CD1 3.36Å; H114-I118 PolarHBondContact O-N 2.88Å; H114-Y186 PolarHBondContact NE2-OH 3.23Å; H114-W355 HydrophobicContact CB-CB 4.33Å; H114-W355 HydrophobicContact CB-CD2 4.34Å; H114-W355 HydrophobicContact CB-CG 3.81Å; H114-W355 AromaticContact CD2-CD2 3.33Å; H114-W355 AromaticContact CD2-CE2 3.62Å; H114-W355 AromaticContact CD2-CE3 3.6Å; H114-W355 AromaticContact CD2-CG 3.65Å; H114-W355 AromaticContact CE1-CD2 3.96Å; H114-W355 AromaticContact CE1-CE2 3.44Å; H114-W355 VanDerWaalsContact CE1-CE2 3.44Å; H114-W355 AromaticContact CE1-CH2 3.72Å; H114-W355 AromaticContact CE1-CZ2 3.32Å; H114-W355 WeakPolarHBondContact CE1-CZ2 3.3Å; H114-W355 AromaticContact CE1-NE1 3.92Å; H114-W355 AromaticContact CG-CD1 3.56Å; H114-W355 AromaticContact CG-CD2 3.63Å; H114-W355 AromaticContact CG-CE2 3.58Å; H114-W355 AromaticContact CG-CG 3.64Å; H114-W355 AromaticContact CG-NE1 3.51Å; H114-W355 AromaticContact ND1-CE2 3.48Å; H114-W355 AromaticContact ND1-CZ2 3.79Å; H114-W355 AromaticContact ND1-NE1 3.47Å; H114-W355 PolarHBondContact ND1-NE1 2.85Å; H114-W355 AromaticContact NE2-CD2 3.56Å; H114-W355 AromaticContact NE2-CE2 3.53Å; H114-W355 AromaticContact NE2-CE3 3.57Å; H114-W355 AromaticContact NE2-CH2 3.54Å; H114-W355 AromaticContact NE2-CZ2 3.54Å; H114-W355 AromaticContact NE2-CZ3 3.56Å
115	L	98.9	Very high	98.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69.7	-32.2	-179.9	-69.5	-178.3	0	0	0	112.1	L91 T111 F112 I118 A119 V129 L179 C181 Y186	L91-L115 HydrophobicContact CD1-CD1 3.57Å; L91-L115 HydrophobicContact CD2-CB 4.47Å; L91-L115 HydrophobicContact CD2-CD1 3.58Å; L91-L115 HydrophobicContact CG-CD1 4.14Å; T111-L115 HydrophobicContact CG2-CD1 4.17Å; T111-L115 WeakPolarHBondContact O-CB 3.45Å; T111-L115 WeakPolarHBondContact O-CG 3.24Å; T111-L115 PolarHBondContact O-N 2.69Å; F112-L115 PolarHBondContact O-N 3.05Å; L115-I118 HydrophobicContact CD2-CD1 4.24Å; L115-I118 PolarHBondContact O-N 3.12Å; L115-A119 WeakPolarHBondContact O-CB 3.43Å; L115-A119 PolarHBondContact O-N 2.89Å; L115-V129 HydrophobicContact CB-CG1 3.93Å; L115-V129 HydrophobicContact CD2-CG1 4.15Å; L115-V129 HydrophobicContact CD2-CG2 3.9Å; L115-V129 WeakPolarHBondContact O-CG1 3.48Å; L115-L179 HydrophobicContact CB-CD1 3.81Å; L115-C181 HydrophobicContact CD1-CB 4.07Å; L115-Y186 HydrophobicContact CD2-CE1 4.49Å; L115-Y186 HydrophobicContact CD2-CE2 3.93Å
116	F	98.9	Very high	98.6	Very high	69 Å²	69	49.1 Å²	49.1	30%	0.303	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-43	174.1	-173.3	-109.7	0	0	0	110.9	F112 H114 I118 A119 N120 L131 L154 L179	F112-F116 HydrophobicContact CD1-CB 4.36Å; F112-F116 HydrophobicContact CE1-CB 4.28Å; F112-F116 HydrophobicContact CE1-CD2 4.35Å; F112-F116 HydrophobicContact CE1-CG 4.42Å; F112-F116 WeakPolarHBondContact O-CB 3.45Å; F112-F116 PolarHBondContact O-N 3.08Å; H114-F116 VanDerWaalsContact C-N 3.33Å; F116-I118 VanDerWaalsContact C-N 3.29Å; F116-I118 PolarHBondContact O-N 3.24Å; F116-A119 PolarHBondContact O-N 2.69Å; F116-N120 WeakPolarHBondContact CE1-ND2 3.29Å; F116-N120 WeakPolarHBondContact CE2-ND2 3.49Å; F116-N120 VanDerWaalsContact CZ-ND2 3.28Å; F116-N120 WeakPolarHBondContact CZ-ND2 3.38Å; F116-N120 PolarHBondContact O-N 3.27Å; F116-N120 VanDerWaalsContact O-N 3.13Å; F116-N120 PolarHBondContact O-ND2 2.98Å; F116-L131 HydrophobicContact CD2-CD2 4.11Å; F116-L131 HydrophobicContact CE2-CD1 4.27Å; F116-L131 HydrophobicContact CE2-CD2 4.12Å; F116-L154 HydrophobicContact CD2-CD1 4.32Å; F116-L154 HydrophobicContact CE2-CD1 3.72Å; F116-L154 HydrophobicContact CZ-CD1 4.44Å; F116-L179 HydrophobicContact CB-CD1 3.94Å
117	A	98.8	Very high	98.6	Very high	63 Å²	63	45.7 Å²	45.7	52%	0.521	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-39	174.1	0	0	0	0	0	112	N113 H114 N120 S121	N113-A117 PolarHBondContact O-N 3.4Å; H114-A117 PolarHBondContact O-N 3.45Å; A117-N120 PolarHBondContact O-N 2.95Å; A117-S121 PolarHBondContact O-N 2.89Å
118	I	98.8	Very high	98.5	Very high	10 Å²	10	45 Å²	45	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-46.5	175.3	-66.4	172.4	0	0	0	111	H114 L115 F116 N120 S121 A124 A127 V129 Y186 W189	H114-I118 WeakPolarHBondContact NE2-CD1 3.36Å; H114-I118 PolarHBondContact O-N 2.88Å; L115-I118 HydrophobicContact CD2-CD1 4.24Å; L115-I118 PolarHBondContact O-N 3.12Å; F116-I118 VanDerWaalsContact C-N 3.29Å; F116-I118 PolarHBondContact O-N 3.24Å; I118-N120 PolarHBondContact O-N 3.45Å; I118-S121 WeakPolarHBondContact O-CB 3.39Å; I118-S121 PolarHBondContact O-N 2.95Å; I118-S121 PolarHBondContact O-OG 3.34Å; I118-A124 WeakPolarHBondContact O-CB 3.45Å; I118-A127 HydrophobicContact CG2-CB 3.51Å; I118-V129 HydrophobicContact CG2-CB 3.94Å; I118-V129 HydrophobicContact CG2-CG2 3.93Å; I118-Y186 HydrophobicContact CD1-CE2 4Å; I118-W189 HydrophobicContact CD1-CH2 3.51Å; I118-W189 HydrophobicContact CD1-CZ2 4.25Å; I118-W189 HydrophobicContact CD1-CZ3 3.82Å; I118-W189 HydrophobicContact CG1-CH2 4.13Å
119	A	98.6	Very high	98.5	Very high	22 Å²	22	45.2 Å²	45.2	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-26.5	179.9	0	0	0	0	0	113.2	L115 F116 V129 L179	L115-A119 WeakPolarHBondContact O-CB 3.43Å; L115-A119 PolarHBondContact O-N 2.89Å; F116-A119 PolarHBondContact O-N 2.69Å; A119-V129 HydrophobicContact CB-CG1 4.19Å; A119-L179 HydrophobicContact CB-CD2 3.59Å
120	N	98.5	Very high	98.5	Very high	106 Å²	106	43.8 Å²	43.8	57%	0.567	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	9.1	176.3	-69.1	-77.4	0	0	0	113.4	F116 A117 I118	F116-N120 WeakPolarHBondContact CE1-ND2 3.29Å; F116-N120 WeakPolarHBondContact CE2-ND2 3.49Å; F116-N120 VanDerWaalsContact CZ-ND2 3.28Å; F116-N120 WeakPolarHBondContact CZ-ND2 3.38Å; F116-N120 PolarHBondContact O-N 3.27Å; F116-N120 VanDerWaalsContact O-N 3.13Å; F116-N120 PolarHBondContact O-ND2 2.98Å; A117-N120 PolarHBondContact O-N 2.95Å; I118-N120 PolarHBondContact O-N 3.45Å
121	S	98.6	Very high	98.5	Very high	47 Å²	47	45.7 Å²	45.7	33%	0.329	29%	0.285	S	S	.	.	S	Bend	trans	-105.3	164.6	179.3	78.2	0	0	0	0	111.9	A117 I118 E123 A124	A117-S121 PolarHBondContact O-N 2.89Å; I118-S121 WeakPolarHBondContact O-CB 3.39Å; I118-S121 PolarHBondContact O-N 2.95Å; I118-S121 PolarHBondContact O-OG 3.34Å; S121-E123 PolarHBondContact O-N 3.34Å; S121-E123 VanDerWaalsContact O-N 3.16Å; S121-E123 PolarHBondContact OG-N 3.13Å; S121-A124 WeakPolarHBondContact O-CB 3.27Å; S121-A124 PolarHBondContact O-N 2.98Å
122	A	98.3	Very high	98.5	Very high	110 Å²	110	46.1 Å²	46.1	91%	0.909	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.2	172.6	0	0	0	0	0	113.2
123	E	98	Very high	98.5	Very high	82 Å²	82	48.1 Å²	48.1	38%	0.383	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.2	-179.4	-61.3	178.8	-156.2	0	0	113	S121 G125 D126 A127 W189 R193	S121-E123 PolarHBondContact O-N 3.34Å; S121-E123 VanDerWaalsContact O-N 3.16Å; S121-E123 PolarHBondContact OG-N 3.13Å; E123-G125 VanDerWaalsContact C-N 3.29Å; E123-G125 PolarHBondContact O-N 3.49Å; E123-D126 PolarHBondContact O-N 2.89Å; E123-A127 WeakPolarHBondContact O-CB 3.23Å; E123-A127 PolarHBondContact O-N 3.3Å; E123-W189 WeakPolarHBondContact OE2-CZ2 3.34Å; E123-W189 PolarHBondContact OE2-NE1 3.49Å; E123-R193 IonicContact OE2-NH2 3.19Å
124	A	98.2	Very high	98.4	Very high	18 Å²	18	44 Å²	44	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-53.8	-43.5	-174.9	0	0	0	0	0	113.3	I118 S121 G128 V129	I118-A124 WeakPolarHBondContact O-CB 3.45Å; S121-A124 WeakPolarHBondContact O-CB 3.27Å; S121-A124 PolarHBondContact O-N 2.98Å; A124-G128 PolarHBondContact O-N 3.18Å; A124-V129 PolarHBondContact O-N 2.47Å; A124-V129 VanDerWaalsContact O-N 3.09Å
125	G	97.2	Very high	98.4	Very high	66 Å²	66	44 Å²	44	68%	0.68	28%	0.28	S	S	*	.	H	α-helix	trans	-64.7	-48	178.1	0	0	0	0	0	112.6	E123 A127 G128	E123-G125 VanDerWaalsContact C-N 3.29Å; E123-G125 PolarHBondContact O-N 3.49Å; G125-A127 VanDerWaalsContact C-N 3.31Å; G125-A127 PolarHBondContact O-N 2.73Å; G125-G128 PolarHBondContact O-N 2.94Å; G125-G128 VanDerWaalsContact O-N 3.13Å
126	D	97.8	Very high	98.4	Very high	116 Å²	116	44.8 Å²	44.8	62%	0.62	28%	0.283	S	S	*	.	H	α-helix	trans	-64.2	-36.1	178.5	-75.6	-9	0	0	0	112.4	E123 G128	E123-D126 PolarHBondContact O-N 2.89Å; D126-G128 VanDerWaalsContact C-N 3.31Å
127	A	98.2	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-79	-13.8	177.1	0	0	0	0	0	113	I118 E123 G125 V129 Y186 W189	I118-A127 HydrophobicContact CG2-CB 3.51Å; E123-A127 WeakPolarHBondContact O-CB 3.23Å; E123-A127 PolarHBondContact O-N 3.3Å; G125-A127 VanDerWaalsContact C-N 3.31Å; G125-A127 PolarHBondContact O-N 2.73Å; A127-V129 VanDerWaalsContact C-N 3.32Å; A127-V129 HydrophobicContact CB-CG2 4.04Å; A127-V129 PolarHBondContact O-N 3.23Å; A127-Y186 HydrophobicContact CB-CD2 4.31Å; A127-Y186 VanDerWaalsContact O-CA 3.22Å; A127-Y186 WeakPolarHBondContact O-CA 3.46Å; A127-Y186 VanDerWaalsContact O-CB 3.28Å; A127-Y186 WeakPolarHBondContact O-CB 3.47Å; A127-Y186 PolarHBondContact O-N 3.23Å; A127-W189 HydrophobicContact CB-CB 4.42Å; A127-W189 HydrophobicContact CB-CD2 3.95Å; A127-W189 HydrophobicContact CB-CG 3.86Å
128	G	97.9	Very high	98.3	Very high	4 Å²	4	39.8 Å²	39.8	4%	0.041	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	33.9	-176.5	0	0	0	0	0	113.7	A124 G125 D126 E182	A124-G128 PolarHBondContact O-N 3.18Å; G125-G128 PolarHBondContact O-N 2.94Å; G125-G128 VanDerWaalsContact O-N 3.13Å; D126-G128 VanDerWaalsContact C-N 3.31Å; G128-E182 WeakPolarHBondContact O-CB 3.38Å; G128-E182 WeakPolarHBondContact O-CG 3.46Å; G128-E182 PolarHBondContact O-N 2.98Å
129	V	98.6	Very high	98.2	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.2	-178.1	-173.5	0	0	0	0	109.7	L115 I118 A119 A124 A127 L179 K180 Y186	L115-V129 HydrophobicContact CB-CG1 3.93Å; L115-V129 HydrophobicContact CD2-CG1 4.15Å; L115-V129 HydrophobicContact CD2-CG2 3.9Å; L115-V129 WeakPolarHBondContact O-CG1 3.48Å; I118-V129 HydrophobicContact CG2-CB 3.94Å; I118-V129 HydrophobicContact CG2-CG2 3.93Å; A119-V129 HydrophobicContact CB-CG1 4.19Å; A124-V129 PolarHBondContact O-N 2.47Å; A124-V129 VanDerWaalsContact O-N 3.09Å; A127-V129 VanDerWaalsContact C-N 3.32Å; A127-V129 HydrophobicContact CB-CG2 4.04Å; A127-V129 PolarHBondContact O-N 3.23Å; V129-L179 HydrophobicContact CG1-CD2 4.2Å; V129-K180 WeakPolarHBondContact CA-O 3.21Å; V129-Y186 HydrophobicContact CG2-CD2 3.98Å; V129-Y186 HydrophobicContact CG2-CE2 4.29Å
130	H	98.5	Very high	98.1	Very high	43 Å²	43	48.7 Å²	48.7	20%	0.199	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.6	-177.4	54.8	-80.5	0	0	0	111.9	L179 K180 E182	H130-L179 CarbonylContact O-C 3.5Å; H130-L179 WeakPolarHBondContact O-CA 3.36Å; H130-K180 PolarHBondContact N-O 2.98Å; H130-K180 VanDerWaalsContact N-O 3.11Å; H130-K180 PolarHBondContact O-N 3.1Å; H130-E182 IonicContact CE1-OE1 2.69Å
131	L	98.7	Very high	98	Very high	74 Å²	74	47.6 Å²	47.6	39%	0.387	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	146.2	172.2	-71.1	166.9	0	0	0	110.3	F116 L154 T177 T178 L179	F116-L131 HydrophobicContact CD2-CD2 4.11Å; F116-L131 HydrophobicContact CE2-CD1 4.27Å; F116-L131 HydrophobicContact CE2-CD2 4.12Å; L131-L154 HydrophobicContact CD2-CD1 3.85Å; L131-T177 HydrophobicContact CB-CG2 4.24Å; L131-T177 HydrophobicContact CD2-CG2 4.09Å; L131-T178 CarbonylContact C-O 3.52Å; L131-T178 WeakPolarHBondContact CA-O 3.49Å; L131-L179 HydrophobicContact CD2-CD2 3.58Å; L131-L179 HydrophobicContact CD2-CG 3.97Å; L131-L179 HydrophobicContact CG-CD2 3.97Å
132	V	98.7	Very high	97.7	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.048	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	127.5	177.2	60.6	0	0	0	0	109.8	M90 T177 T178 K180 F254 P266	M90-V132 HydrophobicContact CE-CG1 3.63Å; M90-V132 HydrophobicContact SD-CG1 3.66Å; V132-T177 WeakPolarHBondContact O-CA 3.47Å; V132-T178 HydrophobicContact CG1-CG2 4.05Å; V132-T178 PolarHBondContact N-O 2.58Å; V132-T178 PolarHBondContact O-N 3.25Å; V132-K180 HydrophobicContact CG1-CB 4.1Å; V132-F254 HydrophobicContact CG1-CD1 4.36Å; V132-F254 HydrophobicContact CG2-CB 4.33Å; V132-F254 HydrophobicContact CG2-CD1 4.15Å; V132-P266 HydrophobicContact CG2-CG 3.61Å
133	S	98.8	Very high	97.4	Very high	45 Å²	45	49 Å²	49	32%	0.315	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	156.4	176.9	-60.9	0	0	0	0	110.5	T177 H253 F254	S133-T177 PolarHBondContact OG-OG1 3.17Å; S133-H253 CarbonylContact O-C 3.43Å; S133-H253 WeakPolarHBondContact O-CA 3.21Å; S133-F254 VanDerWaalsContact O-CD1 3.3Å; S133-F254 WeakPolarHBondContact O-CD1 3.14Å; S133-F254 PolarHBondContact O-N 3.01Å
134	G	98.6	Very high	97	Very high	4 Å²	4	51.2 Å²	51.2	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-162.1	176.5	0	0	0	0	0	113.5	A175 F176 F254	G134-A175 WeakPolarHBondContact O-CA 3.28Å; G134-F176 PolarHBondContact N-O 3.22Å; G134-F176 VanDerWaalsContact N-O 3.09Å; G134-F176 PolarHBondContact O-N 3.1Å; G134-F254 VanDerWaalsContact C-CZ 3.43Å; G134-F254 CarbonylContact C-O 3.51Å; G134-F254 VanDerWaalsContact CA-CD1 3.48Å; G134-F254 VanDerWaalsContact CA-CE1 3.41Å; G134-F254 WeakPolarHBondContact CA-O 3.26Å
135	W	98.6	Very high	96.8	Very high	35 Å²	35	52.7 Å²	52.7	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.3	-168	-51.2	-79	0	0	0	112.6	I137 M159 F167 Q174 H253 F254 I255 R256	W135-I137 HydrophobicContact CB-CG2 4.19Å; W135-M159 HydrophobicContact CB-CE 4.32Å; W135-M159 HydrophobicContact CB-SD 3.82Å; W135-M159 VanDerWaalsContact CD1-SD 3.56Å; W135-M159 HydrophobicContact CG-CE 3.93Å; W135-M159 HydrophobicContact CG-SD 3.9Å; W135-F167 HydrophobicContact CD2-CE2 4.32Å; W135-F167 HydrophobicContact CD2-CZ 4.41Å; W135-F167 HydrophobicContact CE3-CE2 4.34Å; W135-F167 AromaticContact CE3-CZ 3.99Å; W135-F167 HydrophobicContact CE3-CZ 3.99Å; W135-F167 HydrophobicContact CG-CE2 4.41Å; W135-Q174 CarbonylContact C-O 3.35Å; W135-Q174 VanDerWaalsContact CA-O 3.25Å; W135-Q174 WeakPolarHBondContact CA-O 3.26Å; W135-H253 HydrophobicContact CE3-CB 4.1Å; W135-H253 HydrophobicContact CH2-CB 3.68Å; W135-H253 AromaticContact CH2-CD2 3.94Å; W135-H253 AromaticContact CH2-CG 3.67Å; W135-H253 HydrophobicContact CZ3-CB 3.34Å; W135-H253 AromaticContact CZ3-CG 3.91Å; W135-F254 PolarHBondContact N-O 2.89Å; W135-F254 WeakPolarHBondContact O-CE2 3.47Å; W135-I255 HydrophobicContact CE3-CG1 3.99Å; W135-I255 HydrophobicContact CZ3-CG1 4.41Å; W135-I255 WeakPolarHBondContact O-CA 3.49Å; W135-R256 PolarHBondContact O-N 3.17Å
136	Q	98.3	Very high	96.8	Very high	16 Å²	16	53.3 Å²	53.3	8%	0.075	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.1	163.4	-171.4	175.1	-17.8	0	0	109.2	F138 G173 Q174 F176 R256	Q136-F138 HydrophobicContact CB-CE2 4.26Å; Q136-F138 HydrophobicContact CG-CE2 3.75Å; Q136-F138 HydrophobicContact CG-CZ 3.71Å; Q136-F138 VanDerWaalsContact NE2-CZ 3.31Å; Q136-F138 WeakPolarHBondContact O-CE2 3.47Å; Q136-G173 CarbonylContact O-C 3.53Å; Q136-G173 VanDerWaalsContact O-CA 3.3Å; Q136-G173 WeakPolarHBondContact O-CA 3.38Å; Q136-Q174 HydrophobicContact CB-CB 4.44Å; Q136-Q174 PolarHBondContact N-O 3.03Å; Q136-Q174 PolarHBondContact O-N 2.81Å; Q136-F176 HydrophobicContact CB-CE1 4.13Å; Q136-R256 CarbonylContact C-O 3.11Å; Q136-R256 VanDerWaalsContact CA-O 3.24Å; Q136-R256 WeakPolarHBondContact CA-O 3.46Å; Q136-R256 HydrophobicContact CG-CB 4.47Å
137	I	98.2	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.9	-168.3	58.7	177.2	0	0	0	111.9	W135 M159 F167 Y170 I255 R256 D257 G258 L301	W135-I137 HydrophobicContact CB-CG2 4.19Å; I137-M159 HydrophobicContact CG2-SD 3.94Å; I137-F167 HydrophobicContact CD1-CB 4.38Å; I137-F167 HydrophobicContact CD1-CD1 3.72Å; I137-F167 HydrophobicContact CD1-CE1 4.16Å; I137-F167 HydrophobicContact CD1-CG 4.02Å; I137-F167 HydrophobicContact CG2-CD2 3.88Å; I137-F167 HydrophobicContact CG2-CE2 4.09Å; I137-F167 HydrophobicContact CG2-CG 4.15Å; I137-Y170 HydrophobicContact CB-CD1 3.73Å; I137-Y170 HydrophobicContact CB-CE1 4.25Å; I137-Y170 HydrophobicContact CB-CG 4.01Å; I137-Y170 HydrophobicContact CD1-CD1 3.87Å; I137-Y170 HydrophobicContact CD1-CD2 3.78Å; I137-Y170 HydrophobicContact CD1-CE1 3.79Å; I137-Y170 HydrophobicContact CD1-CE2 3.69Å; I137-Y170 HydrophobicContact CD1-CG 3.87Å; I137-Y170 HydrophobicContact CG1-CD1 3.66Å; I137-Y170 HydrophobicContact CG1-CD2 4.48Å; I137-Y170 HydrophobicContact CG1-CE1 3.66Å; I137-Y170 HydrophobicContact CG1-CE2 4.48Å; I137-Y170 HydrophobicContact CG1-CG 4.09Å; I137-I255 HydrophobicContact CD1-CG2 3.86Å; I137-I255 HydrophobicContact CG1-CG2 4.42Å; I137-R256 PolarHBondContact N-O 2.89Å; I137-D257 CarbonylContact O-C 3.56Å; I137-D257 WeakPolarHBondContact O-CA 3.28Å; I137-G258 PolarHBondContact O-N 2.73Å; I137-L301 HydrophobicContact CD1-CD1 4.41Å; I137-L301 HydrophobicContact CD1-CD2 3.78Å
138	F	97.9	Very high	96.7	Very high	27 Å²	27	50.8 Å²	50.8	12%	0.118	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.4	-173.4	-55	-103	0	0	0	112.2	Q136 S140 P142 Y170 V171 F172 Q174	Q136-F138 HydrophobicContact CB-CE2 4.26Å; Q136-F138 HydrophobicContact CG-CE2 3.75Å; Q136-F138 HydrophobicContact CG-CZ 3.71Å; Q136-F138 VanDerWaalsContact NE2-CZ 3.31Å; Q136-F138 WeakPolarHBondContact O-CE2 3.47Å; F138-S140 VanDerWaalsContact C-N 3.26Å; F138-S140 WeakPolarHBondContact CB-O 3.43Å; F138-P142 HydrophobicContact CD1-CB 4.38Å; F138-P142 HydrophobicContact CD1-CG 4.31Å; F138-P142 HydrophobicContact CE1-CB 4.39Å; F138-P142 HydrophobicContact CE1-CG 4.34Å; F138-P142 HydrophobicContact CG-CG 4.46Å; F138-Y170 VanDerWaalsContact C-CD1 3.46Å; F138-V171 PolarHBondContact O-N 3.44Å; F138-F172 HydrophobicContact CB-CB 4.36Å; F138-F172 HydrophobicContact CB-CD1 4.37Å; F138-F172 AromaticContact CD2-CD1 3.62Å; F138-F172 HydrophobicContact CD2-CD1 3.62Å; F138-F172 HydrophobicContact CD2-CE1 4.21Å; F138-F172 HydrophobicContact CE2-CD1 4.18Å; F138-F172 HydrophobicContact CE2-CE1 4.31Å; F138-F172 HydrophobicContact CG-CD1 4.2Å; F138-F172 PolarHBondContact N-O 3.18Å; F138-F172 PolarHBondContact O-N 3.04Å; F138-Q174 HydrophobicContact CE2-CG 4.18Å
139	Q	96.4	Very high	96.7	Very high	135 Å²	135	51.2 Å²	51.2	63%	0.631	28%	0.28	S	S	*	.	S	Bend	trans	-72.9	-21.7	177.9	-69	176.4	-42.2	0	0	112.4	Y170 V171	Q139-Y170 HydrophobicContact CG-CD1 3.97Å; Q139-Y170 HydrophobicContact CG-CE1 3.78Å; Q139-V171 VanDerWaalsContact O-CG2 3.23Å; Q139-V171 WeakPolarHBondContact O-CG2 3.41Å
140	S	96	Very high	96.6	Very high	84 Å²	84	51.6 Å²	51.6	59%	0.587	28%	0.284	S	S	*	.	S	Bend	trans	-135.1	154.1	171.2	57.5	0	0	0	0	109.5	F138 P142	F138-S140 VanDerWaalsContact C-N 3.26Å; F138-S140 WeakPolarHBondContact CB-O 3.43Å; S140-P142 WeakPolarHBondContact O-CD 3.31Å
141	T	95.9	Very high	96.6	Very high	82 Å²	82	54.2 Å²	54.2	50%	0.503	30%	0.299	S	S	.	.			trans	-63.2	122.1	174.8	-53.5	0	0	0	0	109.5	E145 F172	T141-E145 HydrophobicContact CG2-CG 4.15Å; T141-F172 HydrophobicContact CG2-CD2 4.2Å; T141-F172 HydrophobicContact CG2-CG 4.41Å
142	P	93.7	Very high	96.6	Very high	30 Å²	30	51.2 Å²	51.2	20%	0.195	28%	0.284	C	S	.	.			trans	-67.9	151.3	178.6	29.2	-34.3	0	0	0	110.7	F138 S140 E144 F172	F138-P142 HydrophobicContact CD1-CB 4.38Å; F138-P142 HydrophobicContact CD1-CG 4.31Å; F138-P142 HydrophobicContact CE1-CB 4.39Å; F138-P142 HydrophobicContact CE1-CG 4.34Å; F138-P142 HydrophobicContact CG-CG 4.46Å; S140-P142 WeakPolarHBondContact O-CD 3.31Å; P142-E144 VanDerWaalsContact C-N 3.29Å; P142-E144 PolarHBondContact O-N 3.05Å; P142-F172 HydrophobicContact CG-CD1 3.87Å; P142-F172 HydrophobicContact CG-CE1 3.77Å
143	T	91	Very high	96.6	Very high	157 Å²	157	51.2 Å²	51.2	96%	0.963	28%	0.284	S	S	*	.	S	Bend	trans	-60.2	-41.3	176	-49.5	0	0	0	0	112
144	E	90	Very high	96.6	Very high	129 Å²	129	52.1 Å²	52.1	60%	0.603	29%	0.285	S	S	*	.			trans	-104.1	103.3	173	-175.6	60.9	-104.7	0	0	108.6	P142 V146	P142-E144 VanDerWaalsContact C-N 3.29Å; P142-E144 PolarHBondContact O-N 3.05Å; E144-V146 WeakPolarHBondContact CG-O 3.44Å; E144-V146 PolarHBondContact OE1-N 3.07Å; E144-V146 VanDerWaalsContact OE1-O 3.11Å
145	E	93.9	Very high	96.6	Very high	49 Å²	49	55 Å²	55	23%	0.229	32%	0.315	C	S	.	.	S	Bend	trans	-78.5	-24.6	-179.4	-63.5	-170.2	-105.7	0	0	112.5	T141 R158 F172 Q174	T141-E145 HydrophobicContact CG2-CG 4.15Å; E145-R158 VanDerWaalsContact CD-CZ 3.41Å; E145-R158 IonicContact OE1-CZ 3.95Å; E145-R158 IonicContact OE1-NH1 3.87Å; E145-R158 IonicContact OE1-NH2 3.17Å; E145-R158 PolarHBondContact OE1-NH2 3.07Å; E145-R158 IonicContact OE2-CZ 2.89Å; E145-R158 IonicContact OE2-NE 3.58Å; E145-R158 PolarHBondContact OE2-NE 3.23Å; E145-R158 IonicContact OE2-NH1 3.51Å; E145-R158 PolarHBondContact OE2-NH1 3.34Å; E145-R158 IonicContact OE2-NH2 2.88Å; E145-R158 PolarHBondContact OE2-NH2 3.35Å; E145-F172 HydrophobicContact CB-CZ 4.02Å; E145-F172 HydrophobicContact CG-CE2 4.37Å; E145-F172 HydrophobicContact CG-CZ 4.11Å; E145-F172 WeakPolarHBondContact OE2-CE2 3.38Å; E145-F172 WeakPolarHBondContact OE2-CZ 3.41Å; E145-Q174 PolarHBondContact O-NE2 2.98Å
146	V	97	Very high	96.6	Very high	78 Å²	78	55.4 Å²	55.4	47%	0.473	32%	0.318	S	S	.	.	S	Bend	trans	-114.8	101.2	179.3	-176.5	0	0	0	0	108.7	E144 A150 F156	E144-V146 WeakPolarHBondContact CG-O 3.44Å; E144-V146 PolarHBondContact OE1-N 3.07Å; E144-V146 VanDerWaalsContact OE1-O 3.11Å; V146-A150 HydrophobicContact CG1-CB 3.6Å; V146-F156 HydrophobicContact CG1-CE1 4.33Å; V146-F156 HydrophobicContact CG2-CE1 4.47Å
147	P	96.1	Very high	96.6	Very high	19 Å²	19	59.7 Å²	59.7	12%	0.123	33%	0.333	C	S	.	.			trans	-67.8	156.1	-177.4	30	-34.9	0	0	0	111.2	W149 A150 F156	P147-W149 HydrophobicContact CB-CD2 4.07Å; P147-W149 HydrophobicContact CB-CG 4.29Å; P147-W149 HydrophobicContact CB-CZ2 3.88Å; P147-W149 HydrophobicContact CG-CD2 3.84Å; P147-W149 VanDerWaalsContact CG-CE2 3.5Å; P147-W149 HydrophobicContact CG-CE3 4.15Å; P147-W149 HydrophobicContact CG-CG 4.48Å; P147-W149 HydrophobicContact CG-CH2 3.83Å; P147-W149 HydrophobicContact CG-CZ2 3.51Å; P147-W149 HydrophobicContact CG-CZ3 4.14Å; P147-W149 PolarHBondContact O-N 3.34Å; P147-A150 HydrophobicContact CG-CB 4.27Å; P147-A150 VanDerWaalsContact O-CB 3.27Å; P147-A150 WeakPolarHBondContact O-CB 3.39Å; P147-A150 PolarHBondContact O-N 3.14Å; P147-F156 HydrophobicContact CG-CE2 3.81Å; P147-F156 HydrophobicContact CG-CZ 4Å
148	F	97.3	Very high	96.6	Very high	44 Å²	44	66.1 Å²	66.1	19%	0.193	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-16.5	-176.5	72.7	-91.6	0	0	0	115.2	P93 I101 Q104 K105	P93-F148 HydrophobicContact CB-CZ 4.1Å; P93-F148 HydrophobicContact CG-CE2 4.44Å; P93-F148 HydrophobicContact CG-CZ 4.06Å; I101-F148 HydrophobicContact CD1-CB 4.32Å; I101-F148 HydrophobicContact CD1-CD1 3.5Å; I101-F148 VanDerWaalsContact CD1-CD1 3.5Å; I101-F148 HydrophobicContact CD1-CD2 3.95Å; I101-F148 HydrophobicContact CD1-CE1 3.62Å; I101-F148 HydrophobicContact CD1-CE2 4.07Å; I101-F148 HydrophobicContact CD1-CG 3.66Å; I101-F148 HydrophobicContact CD1-CZ 3.91Å; I101-F148 HydrophobicContact CG1-CB 3.92Å; I101-F148 HydrophobicContact CG1-CD1 4.07Å; I101-F148 HydrophobicContact CG1-CD2 4.06Å; I101-F148 HydrophobicContact CG1-CG 3.75Å; Q104-F148 HydrophobicContact CG-CE2 4.21Å; Q104-F148 HydrophobicContact CG-CZ 4.15Å; K105-F148 HydrophobicContact CB-CD2 3.83Å; K105-F148 HydrophobicContact CB-CE2 4.12Å; K105-F148 HydrophobicContact CD-CD2 4.45Å; K105-F148 WeakPolarHBondContact CD-O 3.35Å; K105-F148 WeakPolarHBondContact CE-O 3.45Å; K105-F148 HydrophobicContact CG-CD2 4.12Å; K105-F148 PolarHBondContact NZ-O 3.45Å
149	W	97.5	Very high	96.7	Very high	13 Å²	13	65.6 Å²	65.6	5%	0.049	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	2.3	-177.9	50.3	-96.2	0	0	0	114	I92 P93 F108 P147 D151 V152 V153 F156 F176	I92-W149 HydrophobicContact CG2-CZ2 4.43Å; P93-W149 HydrophobicContact CG-CB 3.68Å; P93-W149 HydrophobicContact CG-CD2 4.04Å; P93-W149 HydrophobicContact CG-CG 3.39Å; F108-W149 HydrophobicContact CD1-CB 3.82Å; F108-W149 HydrophobicContact CE1-CB 3.79Å; P147-W149 HydrophobicContact CB-CD2 4.07Å; P147-W149 HydrophobicContact CB-CG 4.29Å; P147-W149 HydrophobicContact CB-CZ2 3.88Å; P147-W149 HydrophobicContact CG-CD2 3.84Å; P147-W149 VanDerWaalsContact CG-CE2 3.5Å; P147-W149 HydrophobicContact CG-CE3 4.15Å; P147-W149 HydrophobicContact CG-CG 4.48Å; P147-W149 HydrophobicContact CG-CH2 3.83Å; P147-W149 HydrophobicContact CG-CZ2 3.51Å; P147-W149 HydrophobicContact CG-CZ3 4.14Å; P147-W149 PolarHBondContact O-N 3.34Å; W149-D151 VanDerWaalsContact C-N 3.28Å; W149-D151 PolarHBondContact O-N 2.89Å; W149-V152 WeakPolarHBondContact O-CB 3.35Å; W149-V152 PolarHBondContact O-N 2.79Å; W149-V153 HydrophobicContact CE3-CB 4.45Å; W149-V153 HydrophobicContact CE3-CG1 3.72Å; W149-V153 HydrophobicContact CE3-CG2 3.85Å; W149-V153 HydrophobicContact CZ3-CG1 4.02Å; W149-V153 HydrophobicContact CZ3-CG2 3.84Å; W149-V153 PolarHBondContact O-N 3.29Å; W149-F156 HydrophobicContact CH2-CE2 4.36Å; W149-F156 HydrophobicContact CZ3-CD2 4.16Å; W149-F156 HydrophobicContact CZ3-CE2 4.32Å; W149-F176 HydrophobicContact CH2-CD1 4.35Å; W149-F176 AromaticContact CH2-CE1 3.73Å; W149-F176 HydrophobicContact CH2-CE1 3.73Å; W149-F176 HydrophobicContact CH2-CE2 4.19Å; W149-F176 AromaticContact CH2-CZ 3.63Å; W149-F176 HydrophobicContact CH2-CZ 3.63Å; W149-F176 HydrophobicContact CZ3-CD1 4.33Å; W149-F176 HydrophobicContact CZ3-CD2 4.24Å; W149-F176 HydrophobicContact CZ3-CE1 4.08Å; W149-F176 AromaticContact CZ3-CE2 3.98Å; W149-F176 HydrophobicContact CZ3-CE2 3.98Å; W149-F176 HydrophobicContact CZ3-CG 4.41Å; W149-F176 AromaticContact CZ3-CZ 3.88Å; W149-F176 HydrophobicContact CZ3-CZ 3.88Å
150	A	98.2	Very high	96.8	Very high	11 Å²	11	62.6 Å²	62.6	9%	0.091	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-37	-175.8	0	0	0	0	0	113.7	V146 P147 V152 V153 F156	V146-A150 HydrophobicContact CG1-CB 3.6Å; P147-A150 HydrophobicContact CG-CB 4.27Å; P147-A150 VanDerWaalsContact O-CB 3.27Å; P147-A150 WeakPolarHBondContact O-CB 3.39Å; P147-A150 PolarHBondContact O-N 3.14Å; A150-V152 VanDerWaalsContact C-N 3.26Å; A150-V152 PolarHBondContact O-N 2.91Å; A150-V153 WeakPolarHBondContact O-CG2 3.35Å; A150-F156 HydrophobicContact CB-CB 4.2Å; A150-F156 HydrophobicContact CB-CD1 3.67Å; A150-F156 HydrophobicContact CB-CD2 4.07Å; A150-F156 HydrophobicContact CB-CE1 4.03Å; A150-F156 HydrophobicContact CB-CE2 4.39Å; A150-F156 HydrophobicContact CB-CG 3.7Å; A150-F156 HydrophobicContact CB-CZ 4.38Å; A150-F156 WeakPolarHBondContact O-CB 3.28Å
151	D	98.4	Very high	96.8	Very high	98 Å²	98	65 Å²	65	52%	0.524	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.2	177.5	59.6	-69.9	0	0	0	114.3	K105 R109 W149	K105-D151 WeakPolarHBondContact CE-OD1 3.43Å; K105-D151 WeakPolarHBondContact CE-OD2 3.47Å; K105-D151 VanDerWaalsContact NZ-CG 3.26Å; K105-D151 IonicContact NZ-OD1 3.62Å; K105-D151 PolarHBondContact NZ-OD1 3.41Å; K105-D151 IonicContact NZ-OD2 3.32Å; K105-D151 PolarHBondContact NZ-OD2 2.96Å; R109-D151 IonicContact NH2-OD2 3.6Å; R109-D151 PolarHBondContact NH2-OD2 3Å; W149-D151 VanDerWaalsContact C-N 3.28Å; W149-D151 PolarHBondContact O-N 2.89Å
152	V	98.6	Very high	96.9	Very high	11 Å²	11	64.7 Å²	64.7	7%	0.067	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-37.2	-179.8	-179.4	0	0	0	0	111.1	K105 F108 R109 F112 W149 A150	K105-V152 HydrophobicContact CG-CG2 4.42Å; F108-V152 HydrophobicContact CD1-CB 3.91Å; F108-V152 HydrophobicContact CD1-CG1 3.61Å; F108-V152 HydrophobicContact CD1-CG2 4.32Å; F108-V152 HydrophobicContact CE1-CB 3.76Å; F108-V152 HydrophobicContact CE1-CG1 3.54Å; F108-V152 HydrophobicContact CZ-CG1 4.49Å; R109-V152 HydrophobicContact CB-CG1 4.03Å; R109-V152 HydrophobicContact CB-CG2 4.16Å; R109-V152 HydrophobicContact CG-CG1 4.27Å; R109-V152 HydrophobicContact CG-CG2 4.45Å; F112-V152 HydrophobicContact CB-CG1 3.84Å; F112-V152 HydrophobicContact CD1-CG1 4.41Å; F112-V152 WeakPolarHBondContact CE1-O 3.33Å; F112-V152 HydrophobicContact CG-CG1 4Å; W149-V152 WeakPolarHBondContact O-CB 3.35Å; W149-V152 PolarHBondContact O-N 2.79Å; A150-V152 VanDerWaalsContact C-N 3.26Å; A150-V152 PolarHBondContact O-N 2.91Å
153	V	98.7	Very high	97.1	Very high	9 Å²	9	65.2 Å²	65.2	6%	0.055	35%	0.354	C	S	.	.	S	Bend	trans	-76.8	166.2	174.5	-61.8	0	0	0	0	111	F108 F112 W149 A150 F156 F176	F108-V153 HydrophobicContact CE1-CG1 4.05Å; F108-V153 HydrophobicContact CZ-CG1 3.93Å; F112-V153 HydrophobicContact CE2-CG1 4.26Å; W149-V153 HydrophobicContact CE3-CB 4.45Å; W149-V153 HydrophobicContact CE3-CG1 3.72Å; W149-V153 HydrophobicContact CE3-CG2 3.85Å; W149-V153 HydrophobicContact CZ3-CG1 4.02Å; W149-V153 HydrophobicContact CZ3-CG2 3.84Å; W149-V153 PolarHBondContact O-N 3.29Å; A150-V153 WeakPolarHBondContact O-CG2 3.35Å; V153-F156 HydrophobicContact CG2-CB 3.95Å; V153-F156 HydrophobicContact CG2-CD2 4.31Å; V153-F176 HydrophobicContact CB-CD2 4.16Å; V153-F176 HydrophobicContact CG1-CD2 4.29Å; V153-F176 HydrophobicContact CG2-CB 4.04Å; V153-F176 HydrophobicContact CG2-CD2 4.12Å; V153-F176 HydrophobicContact CG2-CG 4.26Å
154	L	98.8	Very high	97.4	Very high	64 Å²	64	59.5 Å²	59.5	34%	0.335	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.5	-175.3	-55.1	176.2	0	0	0	110.7	F112 F116 L131 F156 T177	F112-L154 HydrophobicContact CE1-CD2 4.35Å; F112-L154 HydrophobicContact CE1-CG 4.32Å; F112-L154 HydrophobicContact CZ-CD1 4.49Å; F112-L154 HydrophobicContact CZ-CD2 4.5Å; F112-L154 HydrophobicContact CZ-CG 4.01Å; F116-L154 HydrophobicContact CD2-CD1 4.32Å; F116-L154 HydrophobicContact CE2-CD1 3.72Å; F116-L154 HydrophobicContact CZ-CD1 4.44Å; L131-L154 HydrophobicContact CD2-CD1 3.85Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 3Å; L154-T177 HydrophobicContact CD1-CG2 4.5Å; L154-T177 PolarHBondContact N-O 3.41Å; L154-T177 PolarHBondContact O-N 3.1Å
155	G	98.3	Very high	97.8	Very high	65 Å²	65	60.1 Å²	60.1	67%	0.67	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	63.2	33.6	169.7	0	0	0	0	0	114.8	R157	G155-R157 PolarHBondContact O-N 2.72Å
156	F	98.8	Very high	97.9	Very high	42 Å²	42	62.3 Å²	62.3	18%	0.184	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	128.8	176.2	-177.2	-86.3	0	0	0	111.5	V146 P147 W149 A150 V153 L154 Q174 A175 F176	V146-F156 HydrophobicContact CG1-CE1 4.33Å; V146-F156 HydrophobicContact CG2-CE1 4.47Å; P147-F156 HydrophobicContact CG-CE2 3.81Å; P147-F156 HydrophobicContact CG-CZ 4Å; W149-F156 HydrophobicContact CH2-CE2 4.36Å; W149-F156 HydrophobicContact CZ3-CD2 4.16Å; W149-F156 HydrophobicContact CZ3-CE2 4.32Å; A150-F156 HydrophobicContact CB-CB 4.2Å; A150-F156 HydrophobicContact CB-CD1 3.67Å; A150-F156 HydrophobicContact CB-CD2 4.07Å; A150-F156 HydrophobicContact CB-CE1 4.03Å; A150-F156 HydrophobicContact CB-CE2 4.39Å; A150-F156 HydrophobicContact CB-CG 3.7Å; A150-F156 HydrophobicContact CB-CZ 4.38Å; A150-F156 WeakPolarHBondContact O-CB 3.28Å; V153-F156 HydrophobicContact CG2-CB 3.95Å; V153-F156 HydrophobicContact CG2-CD2 4.31Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 3Å; F156-Q174 HydrophobicContact CE2-CB 3.88Å; F156-Q174 HydrophobicContact CE2-CG 3.97Å; F156-Q174 HydrophobicContact CZ-CB 4.04Å; F156-Q174 HydrophobicContact CZ-CG 3.67Å; F156-A175 WeakPolarHBondContact CA-O 3.2Å; F156-F176 HydrophobicContact CB-CB 4.34Å; F156-F176 HydrophobicContact CD2-CB 4.19Å; F156-F176 HydrophobicContact CD2-CD1 4.14Å; F156-F176 HydrophobicContact CD2-CG 4.38Å; F156-F176 HydrophobicContact CE2-CD1 4.44Å
157	R	98.4	Very high	97.9	Very high	106 Å²	106	58.9 Å²	58.9	40%	0.4	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	169.1	175.4	59.9	173.4	178.2	79.5	-1	111.3	G155 E163 Q174 A175	G155-R157 PolarHBondContact O-N 2.72Å; R157-E163 IonicContact CZ-OE1 2.75Å; R157-E163 IonicContact CZ-OE2 3.26Å; R157-E163 IonicContact NH1-OE1 2.95Å; R157-E163 PolarHBondContact NH1-OE1 2.83Å; R157-E163 IonicContact NH1-OE2 2.85Å; R157-E163 PolarHBondContact NH1-OE2 3.01Å; R157-E163 IonicContact NH2-OE1 2.75Å; R157-E163 PolarHBondContact NH2-OE1 3.27Å; R157-E163 IonicContact NH2-OE2 2.69Å; R157-Q174 CarbonylContact O-C 3.55Å; R157-Q174 WeakPolarHBondContact O-CA 3.47Å; R157-A175 HydrophobicContact CG-CB 4.11Å; R157-A175 PolarHBondContact N-O 3.41Å; R157-A175 PolarHBondContact O-N 2.9Å
158	R	98.4	Very high	97.8	Very high	135 Å²	135	63.6 Å²	63.6	51%	0.509	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	149.9	164.9	-60.4	179.1	-173.1	-163.5	-4.2	109.9	E145 F172 G173	E145-R158 VanDerWaalsContact CD-CZ 3.41Å; E145-R158 IonicContact OE1-CZ 3.95Å; E145-R158 IonicContact OE1-NH1 3.87Å; E145-R158 IonicContact OE1-NH2 3.17Å; E145-R158 PolarHBondContact OE1-NH2 3.07Å; E145-R158 IonicContact OE2-CZ 2.89Å; E145-R158 IonicContact OE2-NE 3.58Å; E145-R158 PolarHBondContact OE2-NE 3.23Å; E145-R158 IonicContact OE2-NH1 3.51Å; E145-R158 PolarHBondContact OE2-NH1 3.34Å; E145-R158 IonicContact OE2-NH2 2.88Å; E145-R158 PolarHBondContact OE2-NH2 3.35Å; R158-F172 HydrophobicContact CG-CE2 4.17Å; R158-F172 HydrophobicContact CG-CZ 4.19Å; R158-G173 WeakPolarHBondContact CA-O 3.25Å
159	M	98.6	Very high	97.7	Very high	16 Å²	16	68.4 Å²	68.4	8%	0.079	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-69.5	144.1	169.9	-73.7	175.6	70.9	0	0	110.3	W135 I137 E163 L164 F167 G173 A175	W135-M159 HydrophobicContact CB-CE 4.32Å; W135-M159 HydrophobicContact CB-SD 3.82Å; W135-M159 VanDerWaalsContact CD1-SD 3.56Å; W135-M159 HydrophobicContact CG-CE 3.93Å; W135-M159 HydrophobicContact CG-SD 3.9Å; I137-M159 HydrophobicContact CG2-SD 3.94Å; M159-E163 WeakPolarHBondContact CA-OE2 3.5Å; M159-E163 HydrophobicContact CB-CB 4.23Å; M159-E163 HydrophobicContact CE-CB 3.57Å; M159-E163 WeakPolarHBondContact CE-O 3.36Å; M159-E163 HydrophobicContact CG-CB 4.46Å; M159-L164 HydrophobicContact CB-CD2 4.11Å; M159-L164 HydrophobicContact CB-CG 3.97Å; M159-L164 HydrophobicContact CE-CD2 4.15Å; M159-L164 HydrophobicContact SD-CD2 4.13Å; M159-F167 HydrophobicContact CE-CD2 3.77Å; M159-F167 HydrophobicContact CE-CE2 3.67Å; M159-G173 PolarHBondContact N-O 3.34Å; M159-G173 VanDerWaalsContact SD-CA 3.56Å; M159-A175 HydrophobicContact CG-CB 4.19Å
160	T	98.4	Very high	97.6	Very high	72 Å²	72	69.1 Å²	69.1	44%	0.442	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-74.7	163.6	170.4	64.3	0	0	0	0	110.6	A162 E163 L164	T160-A162 PolarHBondContact O-N 3.02Å; T160-E163 PolarHBondContact N-OE2 2.94Å; T160-E163 PolarHBondContact O-N 2.86Å; T160-E163 WeakPolarHBondContact OG1-CG 3.46Å; T160-E163 PolarHBondContact OG1-N 3.48Å; T160-E163 PolarHBondContact OG1-OE2 2.89Å; T160-E163 VanDerWaalsContact OG1-OE2 3.04Å; T160-L164 PolarHBondContact O-N 3.02Å
161	E	97.6	Very high	97.6	Very high	136 Å²	136	72.9 Å²	72.9	64%	0.636	38%	0.383	S	S	*	.	H	α-helix	trans	-58.2	-38.8	174.6	-166.2	-162.4	134.1	0	0	111.8	E163 L164 K165	E161-E163 PolarHBondContact O-N 3.39Å; E161-L164 PolarHBondContact O-N 2.86Å; E161-K165 WeakPolarHBondContact O-CG 3.22Å; E161-K165 PolarHBondContact O-N 2.92Å; E161-K165 WeakPolarHBondContact OE1-CE 3.31Å; E161-K165 IonicContact OE1-NZ 3.05Å; E161-K165 PolarHBondContact OE1-NZ 3.43Å
162	A	97.9	Very high	97.6	Very high	74 Å²	74	69 Å²	69	61%	0.612	36%	0.362	S	S	*	.	H	α-helix	trans	-63.9	-39.5	178	0	0	0	0	0	112.4	T160 K165	T160-A162 PolarHBondContact O-N 3.02Å; A162-K165 PolarHBondContact O-N 3Å
163	E	98.1	Very high	97.6	Very high	41 Å²	41	68.5 Å²	68.5	19%	0.192	36%	0.36	C	S	.	.	H	α-helix	trans	-69.9	-38.2	174.9	-68	169.2	122.6	0	0	111.8	R157 M159 T160 E161 K165 K166	R157-E163 IonicContact CZ-OE1 2.75Å; R157-E163 IonicContact CZ-OE2 3.26Å; R157-E163 IonicContact NH1-OE1 2.95Å; R157-E163 PolarHBondContact NH1-OE1 2.83Å; R157-E163 IonicContact NH1-OE2 2.85Å; R157-E163 PolarHBondContact NH1-OE2 3.01Å; R157-E163 IonicContact NH2-OE1 2.75Å; R157-E163 PolarHBondContact NH2-OE1 3.27Å; R157-E163 IonicContact NH2-OE2 2.69Å; M159-E163 WeakPolarHBondContact CA-OE2 3.5Å; M159-E163 HydrophobicContact CB-CB 4.23Å; M159-E163 HydrophobicContact CE-CB 3.57Å; M159-E163 WeakPolarHBondContact CE-O 3.36Å; M159-E163 HydrophobicContact CG-CB 4.46Å; T160-E163 PolarHBondContact N-OE2 2.94Å; T160-E163 PolarHBondContact O-N 2.86Å; T160-E163 WeakPolarHBondContact OG1-CG 3.46Å; T160-E163 PolarHBondContact OG1-N 3.48Å; T160-E163 PolarHBondContact OG1-OE2 2.89Å; T160-E163 VanDerWaalsContact OG1-OE2 3.04Å; E161-E163 PolarHBondContact O-N 3.39Å; E163-K165 VanDerWaalsContact C-N 3.27Å; E163-K165 PolarHBondContact O-N 3.35Å; E163-K166 VanDerWaalsContact O-CB 3.28Å; E163-K166 WeakPolarHBondContact O-CB 3.43Å; E163-K166 PolarHBondContact O-N 3.42Å; E163-K166 VanDerWaalsContact O-N 3.15Å
164	L	97.6	Very high	97.6	Very high	37 Å²	37	68.3 Å²	68.3	19%	0.194	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-28.9	177.2	-74.6	172.5	0	0	0	112.7	M159 T160 E161 K166 F167	M159-L164 HydrophobicContact CB-CD2 4.11Å; M159-L164 HydrophobicContact CB-CG 3.97Å; M159-L164 HydrophobicContact CE-CD2 4.15Å; M159-L164 HydrophobicContact SD-CD2 4.13Å; T160-L164 PolarHBondContact O-N 3.02Å; E161-L164 PolarHBondContact O-N 2.86Å; L164-K166 PolarHBondContact O-N 3.18Å; L164-K166 VanDerWaalsContact O-N 3.08Å; L164-F167 CarbonylContact O-C 3.55Å; L164-F167 PolarHBondContact O-N 3.06Å
165	K	97.1	Very high	97.6	Very high	143 Å²	143	65.5 Å²	65.5	62%	0.622	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.6	173.4	-74.4	172.9	-173	172.5	0	113.3	E161 A162 E163 F167	E161-K165 WeakPolarHBondContact O-CG 3.22Å; E161-K165 PolarHBondContact O-N 2.92Å; E161-K165 WeakPolarHBondContact OE1-CE 3.31Å; E161-K165 IonicContact OE1-NZ 3.05Å; E161-K165 PolarHBondContact OE1-NZ 3.43Å; A162-K165 PolarHBondContact O-N 3Å; E163-K165 VanDerWaalsContact C-N 3.27Å; E163-K165 PolarHBondContact O-N 3.35Å; K165-F167 PolarHBondContact O-N 3.39Å
166	K	96	Very high	97.6	Very high	95 Å²	95	62.7 Å²	62.7	41%	0.413	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.2	171.4	-171.8	175.6	177.2	-174.3	0	112.5	E163 L164 P168 E302	E163-K166 VanDerWaalsContact O-CB 3.28Å; E163-K166 WeakPolarHBondContact O-CB 3.43Å; E163-K166 PolarHBondContact O-N 3.42Å; E163-K166 VanDerWaalsContact O-N 3.15Å; L164-K166 PolarHBondContact O-N 3.18Å; L164-K166 VanDerWaalsContact O-N 3.08Å; K166-P168 WeakPolarHBondContact O-CD 3.43Å; K166-E302 WeakPolarHBondContact CE-OE2 3.47Å; K166-E302 IonicContact NZ-OE2 3.46Å; K166-E302 PolarHBondContact NZ-OE2 3.25Å
167	F	96.9	Very high	97.6	Very high	5 Å²	5	62.3 Å²	62.3	2%	0.022	31%	0.314	C	S	.	.			trans	-125.6	72.9	-172.8	-52.6	-74.3	0	0	0	111	W135 I137 M159 L164 K165 Q169 Y170 I255	W135-F167 HydrophobicContact CD2-CE2 4.32Å; W135-F167 HydrophobicContact CD2-CZ 4.41Å; W135-F167 HydrophobicContact CE3-CE2 4.34Å; W135-F167 AromaticContact CE3-CZ 3.99Å; W135-F167 HydrophobicContact CE3-CZ 3.99Å; W135-F167 HydrophobicContact CG-CE2 4.41Å; I137-F167 HydrophobicContact CD1-CB 4.38Å; I137-F167 HydrophobicContact CD1-CD1 3.72Å; I137-F167 HydrophobicContact CD1-CE1 4.16Å; I137-F167 HydrophobicContact CD1-CG 4.02Å; I137-F167 HydrophobicContact CG2-CD2 3.88Å; I137-F167 HydrophobicContact CG2-CE2 4.09Å; I137-F167 HydrophobicContact CG2-CG 4.15Å; M159-F167 HydrophobicContact CE-CD2 3.77Å; M159-F167 HydrophobicContact CE-CE2 3.67Å; L164-F167 CarbonylContact O-C 3.55Å; L164-F167 PolarHBondContact O-N 3.06Å; K165-F167 PolarHBondContact O-N 3.39Å; F167-Q169 PolarHBondContact O-N 3.26Å; F167-Y170 HydrophobicContact CB-CD2 3.92Å; F167-Y170 HydrophobicContact CB-CG 4.29Å; F167-Y170 PolarHBondContact O-N 2.97Å; F167-I255 HydrophobicContact CE1-CD1 3.91Å; F167-I255 HydrophobicContact CE1-CG1 4.2Å; F167-I255 HydrophobicContact CE1-CG2 4.01Å; F167-I255 HydrophobicContact CZ-CD1 4.11Å; F167-I255 HydrophobicContact CZ-CG1 4.08Å; F167-I255 HydrophobicContact CZ-CG2 4.36Å
168	P	94.2	Very high	97.6	Very high	119 Å²	119	57.2 Å²	57.2	77%	0.773	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.6	-168.3	24.8	-35.5	0	0	0	115.3	K166	K166-P168 WeakPolarHBondContact O-CD 3.43Å
169	Q	94.9	Very high	97.6	Very high	144 Å²	144	50.8 Å²	50.8	67%	0.673	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	3.1	176.5	-60.4	-177.5	9.3	0	0	113.4	F167	F167-Q169 PolarHBondContact O-N 3.26Å
170	Y	96.9	Very high	97.6	Very high	29 Å²	29	50 Å²	50	11%	0.114	27%	0.267	C	S	.	.			trans	-121.7	138.8	-174.2	-67	-95.7	0	0	0	110.2	I137 F138 Q139 F167 D257 L301	I137-Y170 HydrophobicContact CB-CD1 3.73Å; I137-Y170 HydrophobicContact CB-CE1 4.25Å; I137-Y170 HydrophobicContact CB-CG 4.01Å; I137-Y170 HydrophobicContact CD1-CD1 3.87Å; I137-Y170 HydrophobicContact CD1-CD2 3.78Å; I137-Y170 HydrophobicContact CD1-CE1 3.79Å; I137-Y170 HydrophobicContact CD1-CE2 3.69Å; I137-Y170 HydrophobicContact CD1-CG 3.87Å; I137-Y170 HydrophobicContact CG1-CD1 3.66Å; I137-Y170 HydrophobicContact CG1-CD2 4.48Å; I137-Y170 HydrophobicContact CG1-CE1 3.66Å; I137-Y170 HydrophobicContact CG1-CE2 4.48Å; I137-Y170 HydrophobicContact CG1-CG 4.09Å; F138-Y170 VanDerWaalsContact C-CD1 3.46Å; Q139-Y170 HydrophobicContact CG-CD1 3.97Å; Q139-Y170 HydrophobicContact CG-CE1 3.78Å; F167-Y170 HydrophobicContact CB-CD2 3.92Å; F167-Y170 HydrophobicContact CB-CG 4.29Å; F167-Y170 PolarHBondContact O-N 2.97Å; Y170-D257 HydrophobicContact CE1-CB 4.3Å; Y170-L301 HydrophobicContact CD2-CD2 4.42Å; Y170-L301 HydrophobicContact CE2-CD2 3.42Å; Y170-L301 VanDerWaalsContact CE2-CD2 3.42Å
171	V	97.3	Very high	97.6	Very high	89 Å²	89	46.6 Å²	46.6	54%	0.539	25%	0.246	S	C	.	.	S	Bend	trans	-108.2	-17.8	-171.8	-53.4	0	0	0	0	113.1	F138 Q139	F138-V171 PolarHBondContact O-N 3.44Å; Q139-V171 VanDerWaalsContact O-CG2 3.23Å; Q139-V171 WeakPolarHBondContact O-CG2 3.41Å
172	F	98.2	Very high	97.7	Very high	16 Å²	16	41.5 Å²	41.5	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.7	179.8	-179	-96.5	0	0	0	110.4	F138 T141 P142 E145 R158 Q174	F138-F172 HydrophobicContact CB-CB 4.36Å; F138-F172 HydrophobicContact CB-CD1 4.37Å; F138-F172 AromaticContact CD2-CD1 3.62Å; F138-F172 HydrophobicContact CD2-CD1 3.62Å; F138-F172 HydrophobicContact CD2-CE1 4.21Å; F138-F172 HydrophobicContact CE2-CD1 4.18Å; F138-F172 HydrophobicContact CE2-CE1 4.31Å; F138-F172 HydrophobicContact CG-CD1 4.2Å; F138-F172 PolarHBondContact N-O 3.18Å; F138-F172 PolarHBondContact O-N 3.04Å; T141-F172 HydrophobicContact CG2-CD2 4.2Å; T141-F172 HydrophobicContact CG2-CG 4.41Å; P142-F172 HydrophobicContact CG-CD1 3.87Å; P142-F172 HydrophobicContact CG-CE1 3.77Å; E145-F172 HydrophobicContact CB-CZ 4.02Å; E145-F172 HydrophobicContact CG-CE2 4.37Å; E145-F172 HydrophobicContact CG-CZ 4.11Å; E145-F172 WeakPolarHBondContact OE2-CE2 3.38Å; E145-F172 WeakPolarHBondContact OE2-CZ 3.41Å; R158-F172 HydrophobicContact CG-CE2 4.17Å; R158-F172 HydrophobicContact CG-CZ 4.19Å; F172-Q174 HydrophobicContact CE1-CG 3.79Å; F172-Q174 HydrophobicContact CZ-CG 4.27Å
173	G	98.1	Very high	97.6	Very high	2 Å²	2	38 Å²	38	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	153.2	179.5	0	0	0	0	0	113.4	Q136 R158 M159	Q136-G173 CarbonylContact O-C 3.53Å; Q136-G173 VanDerWaalsContact O-CA 3.3Å; Q136-G173 WeakPolarHBondContact O-CA 3.38Å; R158-G173 WeakPolarHBondContact CA-O 3.25Å; M159-G173 PolarHBondContact N-O 3.34Å; M159-G173 VanDerWaalsContact SD-CA 3.56Å
174	Q	98.5	Very high	97.6	Very high	4 Å²	4	39 Å²	39	2%	0.019	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.8	177	-64	163.4	-17.7	0	0	108.2	W135 Q136 F138 E145 F156 R157 F172	W135-Q174 CarbonylContact C-O 3.35Å; W135-Q174 VanDerWaalsContact CA-O 3.25Å; W135-Q174 WeakPolarHBondContact CA-O 3.26Å; Q136-Q174 HydrophobicContact CB-CB 4.44Å; Q136-Q174 PolarHBondContact N-O 3.03Å; Q136-Q174 PolarHBondContact O-N 2.81Å; F138-Q174 HydrophobicContact CE2-CG 4.18Å; E145-Q174 PolarHBondContact O-NE2 2.98Å; F156-Q174 HydrophobicContact CE2-CB 3.88Å; F156-Q174 HydrophobicContact CE2-CG 3.97Å; F156-Q174 HydrophobicContact CZ-CB 4.04Å; F156-Q174 HydrophobicContact CZ-CG 3.67Å; R157-Q174 CarbonylContact O-C 3.55Å; R157-Q174 WeakPolarHBondContact O-CA 3.47Å; F172-Q174 HydrophobicContact CE1-CG 3.79Å; F172-Q174 HydrophobicContact CZ-CG 4.27Å
175	A	98.8	Very high	97.6	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.6	174.8	0	0	0	0	0	109.3	G134 F156 R157 M159	G134-A175 WeakPolarHBondContact O-CA 3.28Å; F156-A175 WeakPolarHBondContact CA-O 3.2Å; R157-A175 HydrophobicContact CG-CB 4.11Å; R157-A175 PolarHBondContact N-O 3.41Å; R157-A175 PolarHBondContact O-N 2.9Å; M159-A175 HydrophobicContact CG-CB 4.19Å
176	F	98.8	Very high	97.7	Very high	6 Å²	6	32 Å²	32	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	163.9	177.4	59	-84.2	0	0	0	111	I92 G134 Q136 W149 V153 F156 T178 F254	I92-F176 HydrophobicContact CD1-CZ 4.29Å; I92-F176 HydrophobicContact CG1-CE2 4.45Å; I92-F176 HydrophobicContact CG1-CZ 4.36Å; G134-F176 PolarHBondContact N-O 3.22Å; G134-F176 VanDerWaalsContact N-O 3.09Å; G134-F176 PolarHBondContact O-N 3.1Å; Q136-F176 HydrophobicContact CB-CE1 4.13Å; W149-F176 HydrophobicContact CH2-CD1 4.35Å; W149-F176 AromaticContact CH2-CE1 3.73Å; W149-F176 HydrophobicContact CH2-CE1 3.73Å; W149-F176 HydrophobicContact CH2-CE2 4.19Å; W149-F176 AromaticContact CH2-CZ 3.63Å; W149-F176 HydrophobicContact CH2-CZ 3.63Å; W149-F176 HydrophobicContact CZ3-CD1 4.33Å; W149-F176 HydrophobicContact CZ3-CD2 4.24Å; W149-F176 HydrophobicContact CZ3-CE1 4.08Å; W149-F176 AromaticContact CZ3-CE2 3.98Å; W149-F176 HydrophobicContact CZ3-CE2 3.98Å; W149-F176 HydrophobicContact CZ3-CG 4.41Å; W149-F176 AromaticContact CZ3-CZ 3.88Å; W149-F176 HydrophobicContact CZ3-CZ 3.88Å; V153-F176 HydrophobicContact CB-CD2 4.16Å; V153-F176 HydrophobicContact CG1-CD2 4.29Å; V153-F176 HydrophobicContact CG2-CB 4.04Å; V153-F176 HydrophobicContact CG2-CD2 4.12Å; V153-F176 HydrophobicContact CG2-CG 4.26Å; F156-F176 HydrophobicContact CB-CB 4.34Å; F156-F176 HydrophobicContact CD2-CB 4.19Å; F156-F176 HydrophobicContact CD2-CD1 4.14Å; F156-F176 HydrophobicContact CD2-CG 4.38Å; F156-F176 HydrophobicContact CE2-CD1 4.44Å; F176-T178 HydrophobicContact CD2-CG2 4.43Å; F176-T178 HydrophobicContact CE2-CG2 3.99Å; F176-F254 HydrophobicContact CD1-CZ 4.15Å; F176-F254 HydrophobicContact CD2-CE1 4.33Å; F176-F254 AromaticContact CD2-CZ 3.95Å; F176-F254 HydrophobicContact CD2-CZ 3.95Å; F176-F254 HydrophobicContact CE1-CE2 4.16Å; F176-F254 AromaticContact CE1-CZ 3.7Å; F176-F254 HydrophobicContact CE1-CZ 3.7Å; F176-F254 HydrophobicContact CE2-CE1 4.07Å; F176-F254 HydrophobicContact CE2-CE2 4.34Å; F176-F254 AromaticContact CE2-CZ 3.48Å; F176-F254 HydrophobicContact CE2-CZ 3.48Å; F176-F254 VanDerWaalsContact CE2-CZ 3.48Å; F176-F254 HydrophobicContact CG-CZ 4.27Å; F176-F254 HydrophobicContact CZ-CE1 4.35Å; F176-F254 AromaticContact CZ-CE2 3.83Å; F176-F254 HydrophobicContact CZ-CE2 3.83Å; F176-F254 AromaticContact CZ-CZ 3.34Å; F176-F254 HydrophobicContact CZ-CZ 3.34Å
177	T	98.9	Very high	97.8	Very high	34 Å²	34	27.5 Å²	27.5	21%	0.209	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.6	168.2	-55.8	0	0	0	0	109.3	L131 V132 S133 L154	L131-T177 HydrophobicContact CB-CG2 4.24Å; L131-T177 HydrophobicContact CD2-CG2 4.09Å; V132-T177 WeakPolarHBondContact O-CA 3.47Å; S133-T177 PolarHBondContact OG-OG1 3.17Å; L154-T177 HydrophobicContact CD1-CG2 4.5Å; L154-T177 PolarHBondContact N-O 3.41Å; L154-T177 PolarHBondContact O-N 3.1Å
178	T	98.8	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-168.9	174.8	-167.3	0	0	0	0	110	M90 L91 L131 V132 F176 F254	M90-T178 HydrophobicContact CE-CG2 3.55Å; L91-T178 WeakPolarHBondContact CB-OG1 3.33Å; L91-T178 PolarHBondContact O-OG1 2.85Å; L131-T178 CarbonylContact C-O 3.52Å; L131-T178 WeakPolarHBondContact CA-O 3.49Å; V132-T178 HydrophobicContact CG1-CG2 4.05Å; V132-T178 PolarHBondContact N-O 2.58Å; V132-T178 PolarHBondContact O-N 3.25Å; F176-T178 HydrophobicContact CD2-CG2 4.43Å; F176-T178 HydrophobicContact CE2-CG2 3.99Å; T178-F254 HydrophobicContact CG2-CE1 4.16Å
179	L	98.8	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	150.1	175.6	-68.9	154.5	0	0	0	110.5	L91 F112 L115 F116 A119 V129 H130 L131	L91-L179 HydrophobicContact CB-CB 4.46Å; L91-L179 WeakPolarHBondContact CB-O 3.48Å; L91-L179 HydrophobicContact CD1-CB 4.37Å; L91-L179 HydrophobicContact CD2-CB 4.05Å; L91-L179 HydrophobicContact CD2-CD1 4.26Å; L91-L179 HydrophobicContact CG-CB 4.5Å; L91-L179 PolarHBondContact N-O 3.19Å; F112-L179 HydrophobicContact CD1-CD1 4.45Å; F112-L179 HydrophobicContact CD2-CD1 4.13Å; F112-L179 HydrophobicContact CE1-CD1 4.31Å; F112-L179 HydrophobicContact CE2-CD1 3.99Å; F112-L179 HydrophobicContact CE2-CG 4.33Å; F112-L179 HydrophobicContact CG-CD1 4.35Å; F112-L179 HydrophobicContact CZ-CD1 4.07Å; F112-L179 HydrophobicContact CZ-CG 4.43Å; L115-L179 HydrophobicContact CB-CD1 3.81Å; F116-L179 HydrophobicContact CB-CD1 3.94Å; A119-L179 HydrophobicContact CB-CD2 3.59Å; V129-L179 HydrophobicContact CG1-CD2 4.2Å; H130-L179 CarbonylContact O-C 3.5Å; H130-L179 WeakPolarHBondContact O-CA 3.36Å; L131-L179 HydrophobicContact CD2-CD2 3.58Å; L131-L179 HydrophobicContact CD2-CG 3.97Å; L131-L179 HydrophobicContact CG-CD2 3.97Å
180	K	98.7	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.9	163.8	-172.4	175.3	-170.3	-72.6	0	108.9	A88 G89 M90 V129 H130 V132 E182 P266	A88-K180 WeakPolarHBondContact O-CE 3.44Å; A88-K180 PolarHBondContact O-NZ 3.29Å; G89-K180 WeakPolarHBondContact O-CA 3.43Å; M90-K180 HydrophobicContact SD-CB 3.94Å; M90-K180 HydrophobicContact SD-CD 4.06Å; M90-K180 HydrophobicContact SD-CG 4.06Å; V129-K180 WeakPolarHBondContact CA-O 3.21Å; H130-K180 PolarHBondContact N-O 2.98Å; H130-K180 VanDerWaalsContact N-O 3.11Å; H130-K180 PolarHBondContact O-N 3.1Å; V132-K180 HydrophobicContact CG1-CB 4.1Å; K180-E182 IonicContact NZ-OE1 2.61Å; K180-E182 PolarHBondContact NZ-OE1 3.35Å; K180-E182 IonicContact NZ-OE2 2.98Å; K180-E182 PolarHBondContact NZ-OE2 2.81Å; K180-P266 WeakPolarHBondContact CD-O 3.31Å; K180-P266 WeakPolarHBondContact CE-O 3.39Å
181	C	98.4	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	108.5	177	177.2	0	0	0	0	109.4	G89 L91 L115 C183 Y186 I351	G89-C181 WeakPolarHBondContact CA-O 3.22Å; G89-C181 PolarHBondContact O-N 3.04Å; L91-C181 HydrophobicContact CD1-CB 4.24Å; L115-C181 HydrophobicContact CD1-CB 4.07Å; C181-C183 PolarHBondContact O-N 3.03Å; C181-Y186 WeakPolarHBondContact SG-CD1 3.23Å; C181-I351 HydrophobicContact CB-CG2 4.07Å
182	E	97.9	Very high	98.4	Very high	28 Å²	28	19.5 Å²	19.5	13%	0.131	11%	0.107	C	C	.	.			trans	-79	93.1	177.9	-59.6	-76.1	-167.8	0	0	109.5	G128 H130 K180 P184 A185 Y186 G267 T268	G128-E182 WeakPolarHBondContact O-CB 3.38Å; G128-E182 WeakPolarHBondContact O-CG 3.46Å; G128-E182 PolarHBondContact O-N 2.98Å; H130-E182 IonicContact CE1-OE1 2.69Å; K180-E182 IonicContact NZ-OE1 2.61Å; K180-E182 PolarHBondContact NZ-OE1 3.35Å; K180-E182 IonicContact NZ-OE2 2.98Å; K180-E182 PolarHBondContact NZ-OE2 2.81Å; E182-P184 VanDerWaalsContact C-CD 3.41Å; E182-P184 VanDerWaalsContact C-N 3.3Å; E182-A185 HydrophobicContact CB-CB 4.47Å; E182-A185 PolarHBondContact O-N 3.33Å; E182-Y186 WeakPolarHBondContact O-CB 3.4Å; E182-Y186 PolarHBondContact O-N 3.31Å; E182-G267 WeakPolarHBondContact OE1-CA 3.31Å; E182-T268 PolarHBondContact OE1-N 2.87Å
183	C	97.7	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-51.4	-39.5	-179.2	-77.8	0	0	0	0	114.7	S84 C181 A185 Y186 L187	S84-C183 WeakPolarHBondContact O-CB 3.38Å; C181-C183 PolarHBondContact O-N 3.03Å; C183-A185 PolarHBondContact O-N 2.9Å; C183-Y186 PolarHBondContact O-N 3.17Å; C183-L187 HydrophobicContact CB-CD1 4.48Å; C183-L187 HydrophobicContact CB-CG 4.21Å; C183-L187 WeakPolarHBondContact O-CB 3.47Å; C183-L187 VanDerWaalsContact O-CG 3.27Å; C183-L187 WeakPolarHBondContact O-CG 3.36Å; C183-L187 PolarHBondContact O-N 3.37Å
184	P	97	Very high	98.4	Very high	63 Å²	63	22.5 Å²	22.5	41%	0.409	12%	0.117	S	C	.	.	H	α-helix	trans	-56.6	-22.2	175	-28.1	37.1	0	0	0	115.3	D85 E182 P188	D85-P184 HydrophobicContact CB-CG 4.26Å; E182-P184 VanDerWaalsContact C-CD 3.41Å; E182-P184 VanDerWaalsContact C-N 3.3Å; P184-P188 WeakPolarHBondContact O-CD 3.47Å; P184-P188 WeakPolarHBondContact O-CG 3.18Å
185	A	98.2	Very high	98.3	Very high	34 Å²	34	28 Å²	28	28%	0.281	14%	0.141	S	C	.	.	H	α-helix	trans	-100.2	-40.6	171.9	0	0	0	0	0	112.1	E182 C183 L187 P188 W189	E182-A185 HydrophobicContact CB-CB 4.47Å; E182-A185 PolarHBondContact O-N 3.33Å; C183-A185 PolarHBondContact O-N 2.9Å; A185-L187 PolarHBondContact O-N 2.93Å; A185-P188 VanDerWaalsContact O-CD 3.31Å; A185-P188 WeakPolarHBondContact O-CD 3.27Å; A185-W189 PolarHBondContact O-N 3.11Å
186	Y	98.8	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.8	-37.8	-176.6	-172.4	-120.8	0	0	0	113.4	V53 H114 L115 I118 A127 V129 C181 E182 C183 W189 L190 H354	V53-Y186 HydrophobicContact CG2-CD1 4.06Å; V53-Y186 HydrophobicContact CG2-CE1 3.97Å; H114-Y186 PolarHBondContact NE2-OH 3.23Å; L115-Y186 HydrophobicContact CD2-CE1 4.49Å; L115-Y186 HydrophobicContact CD2-CE2 3.93Å; I118-Y186 HydrophobicContact CD1-CE2 4Å; A127-Y186 HydrophobicContact CB-CD2 4.31Å; A127-Y186 VanDerWaalsContact O-CA 3.22Å; A127-Y186 WeakPolarHBondContact O-CA 3.46Å; A127-Y186 VanDerWaalsContact O-CB 3.28Å; A127-Y186 WeakPolarHBondContact O-CB 3.47Å; A127-Y186 PolarHBondContact O-N 3.23Å; V129-Y186 HydrophobicContact CG2-CD2 3.98Å; V129-Y186 HydrophobicContact CG2-CE2 4.29Å; C181-Y186 WeakPolarHBondContact SG-CD1 3.23Å; E182-Y186 WeakPolarHBondContact O-CB 3.4Å; E182-Y186 PolarHBondContact O-N 3.31Å; C183-Y186 PolarHBondContact O-N 3.17Å; Y186-W189 HydrophobicContact CD2-CE3 4.07Å; Y186-W189 AromaticContact CE2-CE3 3.79Å; Y186-W189 HydrophobicContact CE2-CE3 3.79Å; Y186-W189 AromaticContact CE2-CZ3 3.82Å; Y186-W189 HydrophobicContact CE2-CZ3 3.82Å; Y186-W189 WeakPolarHBondContact O-CB 3.32Å; Y186-W189 PolarHBondContact O-N 3.26Å; Y186-L190 HydrophobicContact CD1-CD1 3.93Å; Y186-L190 HydrophobicContact CD1-CG 4.4Å; Y186-L190 HydrophobicContact CE1-CD1 3.56Å; Y186-L190 HydrophobicContact CE1-CD2 4.48Å; Y186-L190 HydrophobicContact CE1-CG 4.11Å; Y186-L190 HydrophobicContact CE2-CD2 4.36Å; Y186-L190 HydrophobicContact CE2-CG 4.35Å; Y186-L190 WeakPolarHBondContact O-CG 3.22Å; Y186-L190 PolarHBondContact O-N 3.21Å; Y186-H354 AromaticContact CE1-CE1 3.97Å; Y186-H354 AromaticContact CE1-NE2 3.48Å; Y186-H354 WeakPolarHBondContact CE1-NE2 3.45Å; Y186-H354 AromaticContact CZ-NE2 3.7Å; Y186-H354 PolarHBondContact OH-NE2 2.88Å; Y186-H354 VanDerWaalsContact OH-NE2 3.08Å
187	L	98.8	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-51.2	179.1	-57.4	-174.4	0	0	0	111.4	V53 L56 T79 T82 C183 A185 W189 L190 E191	V53-L187 VanDerWaalsContact CA-CD2 3.44Å; V53-L187 HydrophobicContact CB-CD2 3.81Å; V53-L187 HydrophobicContact CG2-CD2 4.18Å; L56-L187 HydrophobicContact CD1-CB 3.79Å; L56-L187 HydrophobicContact CD1-CD2 3.94Å; L56-L187 HydrophobicContact CD1-CG 4.34Å; T79-L187 HydrophobicContact CG2-CB 4.44Å; T82-L187 HydrophobicContact CG2-CD1 4.41Å; T82-L187 WeakPolarHBondContact OG1-CD1 3.44Å; C183-L187 HydrophobicContact CB-CD1 4.48Å; C183-L187 HydrophobicContact CB-CG 4.21Å; C183-L187 WeakPolarHBondContact O-CB 3.47Å; C183-L187 VanDerWaalsContact O-CG 3.27Å; C183-L187 WeakPolarHBondContact O-CG 3.36Å; C183-L187 PolarHBondContact O-N 3.37Å; A185-L187 PolarHBondContact O-N 2.93Å; L187-W189 PolarHBondContact O-N 3.4Å; L187-L190 PolarHBondContact O-N 3.26Å; L187-L190 VanDerWaalsContact O-N 3.09Å; L187-E191 WeakPolarHBondContact O-CG 3.05Å; L187-E191 PolarHBondContact O-N 3.48Å
188	P	98.6	Very high	97.7	Very high	41 Å²	41	34.7 Å²	34.7	27%	0.266	21%	0.208	S	C	.	.	H	α-helix	trans	-54.2	-37.4	171.1	-25.5	30.8	0	0	0	114.1	T79 P184 A185 E191 K192	T79-P188 HydrophobicContact CG2-CG 3.76Å; P184-P188 WeakPolarHBondContact O-CD 3.47Å; P184-P188 WeakPolarHBondContact O-CG 3.18Å; A185-P188 VanDerWaalsContact O-CD 3.31Å; A185-P188 WeakPolarHBondContact O-CD 3.27Å; P188-E191 PolarHBondContact O-N 3.36Å; P188-K192 WeakPolarHBondContact O-CG 3.3Å; P188-K192 PolarHBondContact O-N 3.03Å
189	W	98.8	Very high	97.6	Very high	15 Å²	15	35.2 Å²	35.2	6%	0.057	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-42.7	176.7	-179.3	93.5	0	0	0	111.9	I118 E123 A127 A185 Y186 L187 K192 R193	I118-W189 HydrophobicContact CD1-CH2 3.51Å; I118-W189 HydrophobicContact CD1-CZ2 4.25Å; I118-W189 HydrophobicContact CD1-CZ3 3.82Å; I118-W189 HydrophobicContact CG1-CH2 4.13Å; E123-W189 WeakPolarHBondContact OE2-CZ2 3.34Å; E123-W189 PolarHBondContact OE2-NE1 3.49Å; A127-W189 HydrophobicContact CB-CB 4.42Å; A127-W189 HydrophobicContact CB-CD2 3.95Å; A127-W189 HydrophobicContact CB-CG 3.86Å; A185-W189 PolarHBondContact O-N 3.11Å; Y186-W189 HydrophobicContact CD2-CE3 4.07Å; Y186-W189 AromaticContact CE2-CE3 3.79Å; Y186-W189 HydrophobicContact CE2-CE3 3.79Å; Y186-W189 AromaticContact CE2-CZ3 3.82Å; Y186-W189 HydrophobicContact CE2-CZ3 3.82Å; Y186-W189 WeakPolarHBondContact O-CB 3.32Å; Y186-W189 PolarHBondContact O-N 3.26Å; L187-W189 PolarHBondContact O-N 3.4Å; W189-K192 PolarHBondContact O-N 2.91Å; W189-R193 VanDerWaalsContact CH2-CD 3.48Å; W189-R193 PolarHBondContact O-N 3.18Å
190	L	98.8	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-42.4	172.9	-68.8	175.8	0	0	0	112	L56 V60 Y186 L187 K192 R193 I194 W355	L56-L190 HydrophobicContact CB-CB 3.91Å; L56-L190 HydrophobicContact CB-CD1 3.74Å; L56-L190 HydrophobicContact CB-CG 4.49Å; L56-L190 HydrophobicContact CD1-CB 4.2Å; V60-L190 HydrophobicContact CG2-CD2 4.06Å; Y186-L190 HydrophobicContact CD1-CD1 3.93Å; Y186-L190 HydrophobicContact CD1-CG 4.4Å; Y186-L190 HydrophobicContact CE1-CD1 3.56Å; Y186-L190 HydrophobicContact CE1-CD2 4.48Å; Y186-L190 HydrophobicContact CE1-CG 4.11Å; Y186-L190 HydrophobicContact CE2-CD2 4.36Å; Y186-L190 HydrophobicContact CE2-CG 4.35Å; Y186-L190 WeakPolarHBondContact O-CG 3.22Å; Y186-L190 PolarHBondContact O-N 3.21Å; L187-L190 PolarHBondContact O-N 3.26Å; L187-L190 VanDerWaalsContact O-N 3.09Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 2.88Å; L190-R193 WeakPolarHBondContact O-CB 3.39Å; L190-R193 PolarHBondContact O-N 2.91Å; L190-R193 VanDerWaalsContact O-N 3.11Å; L190-I194 WeakPolarHBondContact O-CG1 3.43Å; L190-I194 PolarHBondContact O-N 3.48Å; L190-W355 HydrophobicContact CD2-CH2 4.42Å; L190-W355 HydrophobicContact CD2-CZ3 3.95Å
191	E	98.6	Very high	97.4	Very high	22 Å²	22	43.5 Å²	43.5	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-43.6	176.7	-68.7	-179.6	-180	0	0	112.1	L56 L187 P188 R193 I194 K195 M201	L56-E191 HydrophobicContact CD1-CG 3.86Å; L56-E191 HydrophobicContact CD2-CG 4.21Å; L187-E191 WeakPolarHBondContact O-CG 3.05Å; L187-E191 PolarHBondContact O-N 3.48Å; P188-E191 PolarHBondContact O-N 3.36Å; E191-R193 VanDerWaalsContact C-N 3.29Å; E191-R193 PolarHBondContact O-N 3.09Å; E191-I194 PolarHBondContact O-N 2.79Å; E191-K195 WeakPolarHBondContact O-CG 3.36Å; E191-K195 PolarHBondContact O-N 2.85Å; E191-M201 HydrophobicContact CB-CE 4.09Å; E191-M201 HydrophobicContact CB-SD 3.9Å; E191-M201 HydrophobicContact CG-CE 3.47Å; E191-M201 VanDerWaalsContact CG-CE 3.47Å; E191-M201 HydrophobicContact CG-SD 3.89Å; E191-M201 WeakPolarHBondContact OE1-CE 3.26Å; E191-M201 WeakPolarHBondContact OE2-CE 3.15Å
192	K	98.3	Very high	97.4	Very high	140 Å²	140	46.9 Å²	46.9	61%	0.609	27%	0.265	S	S	*	.	H	α-helix	trans	-58.1	-42.2	175.1	-74.5	176.5	-175	177.6	0	111.4	P188 W189 L190 K195 G196	P188-K192 WeakPolarHBondContact O-CG 3.3Å; P188-K192 PolarHBondContact O-N 3.03Å; W189-K192 PolarHBondContact O-N 2.91Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 2.88Å; K192-K195 PolarHBondContact O-N 3.19Å; K192-G196 PolarHBondContact O-N 3.19Å
193	R	97.7	Very high	97.4	Very high	80 Å²	80	50.6 Å²	50.6	30%	0.302	29%	0.29	S	S	.	.	H	α-helix	trans	-64.9	-42.4	177.8	-73	-174	149.2	-142.1	-5.4	112.5	V60 E123 W189 L190 E191 G196 S197	V60-R193 HydrophobicContact CG2-CB 4.45Å; E123-R193 IonicContact OE2-NH2 3.19Å; W189-R193 VanDerWaalsContact CH2-CD 3.48Å; W189-R193 PolarHBondContact O-N 3.18Å; L190-R193 WeakPolarHBondContact O-CB 3.39Å; L190-R193 PolarHBondContact O-N 2.91Å; L190-R193 VanDerWaalsContact O-N 3.11Å; E191-R193 VanDerWaalsContact C-N 3.29Å; E191-R193 PolarHBondContact O-N 3.09Å; R193-G196 PolarHBondContact O-N 3.36Å; R193-S197 PolarHBondContact O-N 3.43Å; R193-S197 PolarHBondContact O-OG 2.95Å
194	I	97.4	Very high	97.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-43.9	179	-61.3	164.5	0	0	0	110.6	L56 A59 V60 I73 L190 E191 G196 S197 G198 G199	L56-I194 HydrophobicContact CB-CD1 4.31Å; L56-I194 HydrophobicContact CD2-CD1 4.04Å; A59-I194 HydrophobicContact CB-CD1 3.74Å; A59-I194 HydrophobicContact CB-CG1 4.35Å; V60-I194 HydrophobicContact CG2-CD1 3.9Å; V60-I194 HydrophobicContact CG2-CG1 3.43Å; V60-I194 VanDerWaalsContact CG2-CG1 3.43Å; I73-I194 HydrophobicContact CD1-CB 4.5Å; I73-I194 HydrophobicContact CD1-CD1 3.36Å; I73-I194 HydrophobicContact CD1-CG1 4.46Å; I73-I194 HydrophobicContact CD1-CG2 4.04Å; L190-I194 WeakPolarHBondContact O-CG1 3.43Å; L190-I194 PolarHBondContact O-N 3.48Å; E191-I194 PolarHBondContact O-N 2.79Å; I194-G196 VanDerWaalsContact C-N 3.31Å; I194-G196 PolarHBondContact O-N 3.07Å; I194-S197 CarbonylContact O-C 3.02Å; I194-S197 PolarHBondContact O-N 3.34Å; I194-S197 VanDerWaalsContact O-N 3.13Å; I194-G198 PolarHBondContact O-N 2.85Å; I194-G199 WeakPolarHBondContact O-CA 3.43Å; I194-G199 PolarHBondContact O-N 3Å
195	K	96.9	Very high	97.4	Very high	119 Å²	119	58.2 Å²	58.2	52%	0.517	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-42.8	172.7	-71.1	173.3	-173.5	167.6	0	111.5	E191 K192 S197 G198 M201	E191-K195 WeakPolarHBondContact O-CG 3.36Å; E191-K195 PolarHBondContact O-N 2.85Å; K192-K195 PolarHBondContact O-N 3.19Å; K195-S197 PolarHBondContact O-N 3.21Å; K195-G198 PolarHBondContact O-N 2.82Å; K195-M201 HydrophobicContact CD-SD 4.46Å; K195-M201 WeakPolarHBondContact CE-SD 3.43Å; K195-M201 HydrophobicContact CG-SD 4.4Å
196	G	95.7	Very high	97.4	Very high	69 Å²	69	57.2 Å²	57.2	71%	0.711	30%	0.3	S	S	*	.	H	α-helix	trans	-62	-29.6	175.9	0	0	0	0	0	113.6	K192 R193 I194 G198	K192-G196 PolarHBondContact O-N 3.19Å; R193-G196 PolarHBondContact O-N 3.36Å; I194-G196 VanDerWaalsContact C-N 3.31Å; I194-G196 PolarHBondContact O-N 3.07Å; G196-G198 VanDerWaalsContact C-N 3.26Å; G196-G198 PolarHBondContact O-N 3.04Å
197	S	93.3	Very high	97.4	Very high	69 Å²	69	60.6 Å²	60.6	48%	0.483	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	7.1	171.9	-56.5	0	0	0	0	114	S63 R193 I194 K195	S63-S197 WeakPolarHBondContact OG-CB 3.18Å; R193-S197 PolarHBondContact O-N 3.43Å; R193-S197 PolarHBondContact O-OG 2.95Å; I194-S197 CarbonylContact O-C 3.02Å; I194-S197 PolarHBondContact O-N 3.34Å; I194-S197 VanDerWaalsContact O-N 3.13Å; K195-S197 PolarHBondContact O-N 3.21Å
198	G	95	Very high	97.3	Very high	48 Å²	48	63 Å²	63	50%	0.495	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	10.8	179.8	0	0	0	0	0	114.8	I194 K195 G196 W200	I194-G198 PolarHBondContact O-N 2.85Å; K195-G198 PolarHBondContact O-N 2.82Å; G196-G198 VanDerWaalsContact C-N 3.26Å; G196-G198 PolarHBondContact O-N 3.04Å; G198-W200 PolarHBondContact O-NE1 3.37Å
199	G	96.1	Very high	97.3	Very high	11 Å²	11	61.1 Å²	61.1	11%	0.113	32%	0.319	C	S	.	.			trans	-73.7	150.6	176.4	0	0	0	0	0	112.8	V71 I194	V71-G199 VanDerWaalsContact O-CA 3.27Å; V71-G199 WeakPolarHBondContact O-CA 3.43Å; I194-G199 WeakPolarHBondContact O-CA 3.43Å; I194-G199 PolarHBondContact O-N 3Å
200	W	95.9	Very high	97.3	Very high	123 Å²	123	62 Å²	62	47%	0.466	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	152.1	-179.3	-61.5	82	0	0	0	110.9	F35 V71 T72 I73 G198	F35-W200 HydrophobicContact CE1-CE3 4.27Å; F35-W200 AromaticContact CE1-CH2 3.85Å; F35-W200 HydrophobicContact CE1-CH2 3.85Å; F35-W200 HydrophobicContact CE1-CZ2 4.28Å; F35-W200 AromaticContact CE1-CZ3 3.85Å; F35-W200 HydrophobicContact CE1-CZ3 3.85Å; F35-W200 HydrophobicContact CZ-CZ3 4.28Å; V71-W200 PolarHBondContact O-N 3.01Å; V71-W200 VanDerWaalsContact O-N 3.13Å; T72-W200 CarbonylContact C-O 3.55Å; T72-W200 WeakPolarHBondContact CA-O 3.43Å; T72-W200 HydrophobicContact CG2-CB 4.06Å; I73-W200 PolarHBondContact N-O 3.46Å; G198-W200 PolarHBondContact O-NE1 3.37Å
201	M	97.9	Very high	97.2	Very high	50 Å²	50	65.3 Å²	65.3	25%	0.246	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.6	173.5	-67.4	167	65.8	0	0	108.8	I73 F78 E191 K195	I73-M201 HydrophobicContact CB-CG 4.29Å; I73-M201 HydrophobicContact CD1-CG 4.07Å; I73-M201 CarbonylContact O-C 3.55Å; I73-M201 WeakPolarHBondContact O-CA 3.35Å; F78-M201 HydrophobicContact CD1-CE 3.26Å; F78-M201 HydrophobicContact CE1-CB 4.17Å; F78-M201 HydrophobicContact CE1-CE 3.2Å; F78-M201 HydrophobicContact CE1-CG 4.27Å; F78-M201 HydrophobicContact CG-CE 4.31Å; F78-M201 HydrophobicContact CZ-CB 4.22Å; F78-M201 HydrophobicContact CZ-CE 4.2Å; E191-M201 HydrophobicContact CB-CE 4.09Å; E191-M201 HydrophobicContact CB-SD 3.9Å; E191-M201 HydrophobicContact CG-CE 3.47Å; E191-M201 VanDerWaalsContact CG-CE 3.47Å; E191-M201 HydrophobicContact CG-SD 3.89Å; E191-M201 WeakPolarHBondContact OE1-CE 3.26Å; E191-M201 WeakPolarHBondContact OE2-CE 3.15Å; K195-M201 HydrophobicContact CD-SD 4.46Å; K195-M201 WeakPolarHBondContact CE-SD 3.43Å; K195-M201 HydrophobicContact CG-SD 4.4Å
202	L	98.2	Very high	97.2	Very high	71 Å²	71	64.5 Å²	64.5	37%	0.372	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.5	-178.2	-178.9	65.3	0	0	0	109.9	I73 I74 S75 R204	I73-L202 PolarHBondContact O-N 3.02Å; I74-L202 WeakPolarHBondContact CA-O 3.43Å; I74-L202 HydrophobicContact CG1-CB 4.32Å; I74-L202 HydrophobicContact CG1-CD2 4.44Å; I74-L202 HydrophobicContact CG2-CD2 4.34Å; S75-L202 PolarHBondContact N-O 3.29Å; S75-L202 VanDerWaalsContact N-O 3.09Å; L202-R204 HydrophobicContact CD2-CB 4.2Å; L202-R204 HydrophobicContact CG-CB 4.06Å; L202-R204 PolarHBondContact O-N 2.88Å
203	T	98.3	Very high	97.1	Very high	107 Å²	107	61.4 Å²	61.4	66%	0.656	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	102.7	170.5	-50	0	0	0	0	109.5	S75	S75-T203 CarbonylContact O-C 3.58Å; S75-T203 VanDerWaalsContact O-CA 3.27Å; S75-T203 WeakPolarHBondContact O-CA 3.43Å
204	R	97.4	Very high	96.9	Very high	86 Å²	86	61.4 Å²	61.4	33%	0.325	33%	0.329	S	S	.	.			trans	-157.3	135.8	-179.5	171.8	174.2	169.4	173.7	-4.5	110.1	I74 S75 D76 L202 I206 E211	I74-R204 HydrophobicContact CG2-CB 3.96Å; I74-R204 HydrophobicContact CG2-CG 4.47Å; S75-R204 CarbonylContact C-O 3.58Å; S75-R204 PolarHBondContact O-N 3.22Å; D76-R204 PolarHBondContact N-O 2.83Å; L202-R204 HydrophobicContact CD2-CB 4.2Å; L202-R204 HydrophobicContact CG-CB 4.06Å; L202-R204 PolarHBondContact O-N 2.88Å; R204-I206 HydrophobicContact CG-CD1 4.1Å; R204-E211 IonicContact CZ-OE2 3.31Å; R204-E211 IonicContact NE-OE2 2.73Å; R204-E211 IonicContact NH2-OE2 3.73Å; R204-E211 PolarHBondContact NH2-OE2 3.2Å
205	R	97.6	Very high	96.9	Very high	136 Å²	136	63 Å²	63	51%	0.513	34%	0.341	S	S	.	.			trans	-76.3	134.1	167.4	-175	166.3	178.9	-86.8	-13.8	109.7	D76 D207	D76-R205 HydrophobicContact CB-CB 4.16Å; R205-D207 IonicContact CZ-OD1 2.7Å; R205-D207 IonicContact CZ-OD2 3.66Å; R205-D207 IonicContact NH1-OD1 3.81Å; R205-D207 PolarHBondContact NH1-OD1 3.45Å; R205-D207 IonicContact NH1-OD2 2.64Å; R205-D207 PolarHBondContact NH1-OD2 2.97Å; R205-D207 IonicContact NH2-OD1 3.81Å; R205-D207 PolarHBondContact NH2-OD1 3.2Å
206	I	98.3	Very high	96.9	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.067	32%	0.323	C	S	.	.			trans	-111	123.9	173.6	-58	-60.4	0	0	0	106.7	V49 I74 R204 D208 L212 L230	V49-I206 HydrophobicContact CG1-CG1 4.49Å; I74-I206 HydrophobicContact CG2-CD1 4Å; I74-I206 HydrophobicContact CG2-CG1 3.97Å; R204-I206 HydrophobicContact CG-CD1 4.1Å; I206-D208 VanDerWaalsContact CG2-O 3.28Å; I206-D208 WeakPolarHBondContact CG2-O 3.5Å; I206-L212 HydrophobicContact CD1-CD2 3.92Å; I206-L230 HydrophobicContact CG2-CD2 4.08Å
207	D	97.8	Very high	97	Very high	72 Å²	72	57.9 Å²	57.9	39%	0.385	30%	0.302	S	S	.	.	S	Bend	trans	-96.6	-31.6	177.2	-81.8	-66.6	0	0	0	111.8	R205 E211 Q229	R205-D207 IonicContact CZ-OD1 2.7Å; R205-D207 IonicContact CZ-OD2 3.66Å; R205-D207 IonicContact NH1-OD1 3.81Å; R205-D207 PolarHBondContact NH1-OD1 3.45Å; R205-D207 IonicContact NH1-OD2 2.64Å; R205-D207 PolarHBondContact NH1-OD2 2.97Å; R205-D207 IonicContact NH2-OD1 3.81Å; R205-D207 PolarHBondContact NH2-OD1 3.2Å; D207-E211 WeakPolarHBondContact CA-OE1 3.46Å; D207-E211 WeakPolarHBondContact CB-OE1 3.35Å; D207-E211 PolarHBondContact N-OE1 3.39Å; D207-Q229 PolarHBondContact OD1-NE2 3.22Å
208	D	97.8	Very high	97.2	Very high	51 Å²	51	54.6 Å²	54.6	27%	0.273	28%	0.279	S	S	.	.			trans	-139.6	135.9	173.9	-170.4	-28.6	0	0	0	109.9	I206 W210 E211 R333	I206-D208 VanDerWaalsContact CG2-O 3.28Å; I206-D208 WeakPolarHBondContact CG2-O 3.5Å; D208-W210 PolarHBondContact O-N 3.23Å; D208-W210 VanDerWaalsContact O-N 3.15Å; D208-W210 WeakPolarHBondContact OD1-CB 3.18Å; D208-W210 PolarHBondContact OD1-N 3.1Å; D208-E211 PolarHBondContact N-OE1 3.1Å; D208-E211 VanDerWaalsContact O-CB 3.3Å; D208-E211 WeakPolarHBondContact O-CB 3.4Å; D208-E211 VanDerWaalsContact O-CG 3.29Å; D208-E211 WeakPolarHBondContact O-CG 3.39Å; D208-E211 PolarHBondContact O-N 2.94Å; D208-R333 IonicContact OD1-NH2 2.68Å; D208-R333 IonicContact OD2-CZ 3.96Å; D208-R333 VanDerWaalsContact OD2-CZ 3.3Å; D208-R333 IonicContact OD2-NH1 3.66Å; D208-R333 PolarHBondContact OD2-NH1 3.23Å; D208-R333 IonicContact OD2-NH2 3.65Å; D208-R333 PolarHBondContact OD2-NH2 3.5Å
209	L	98.3	Very high	97.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-59.8	-24.9	177	-60.4	-179.1	0	0	0	112.6	V49 E211 L212 V219 L230 L331 V340	V49-L209 HydrophobicContact CG2-CD2 4.33Å; L209-E211 PolarHBondContact O-N 3.43Å; L209-L212 WeakPolarHBondContact O-CB 3.21Å; L209-L212 PolarHBondContact O-N 3.02Å; L209-L212 VanDerWaalsContact O-N 3.15Å; L209-V219 HydrophobicContact CD2-CG1 4.17Å; L209-L230 HydrophobicContact CD2-CB 4.3Å; L209-L230 HydrophobicContact CD2-CD1 4.18Å; L209-L230 HydrophobicContact CD2-CD2 4.27Å; L209-L230 HydrophobicContact CG-CB 4.37Å; L209-L331 HydrophobicContact CD1-CD1 4.4Å; L209-V340 HydrophobicContact CD1-CG1 3.98Å; L209-V340 HydrophobicContact CD1-CG2 4.35Å
210	W	98.1	Very high	97.6	Very high	33 Å²	33	51.8 Å²	51.8	13%	0.125	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-63.8	-17.7	175	-79.6	96	0	0	0	114	D208 L212 Y213 L331 R333 R336 L338	D208-W210 PolarHBondContact O-N 3.23Å; D208-W210 VanDerWaalsContact O-N 3.15Å; D208-W210 WeakPolarHBondContact OD1-CB 3.18Å; D208-W210 PolarHBondContact OD1-N 3.1Å; W210-L212 PolarHBondContact O-N 3.44Å; W210-L212 VanDerWaalsContact O-N 3.16Å; W210-Y213 HydrophobicContact CE3-CG 4.18Å; W210-Y213 HydrophobicContact CZ3-CD1 4.49Å; W210-Y213 HydrophobicContact CZ3-CD2 4.29Å; W210-Y213 HydrophobicContact CZ3-CG 4.09Å; W210-Y213 WeakPolarHBondContact O-CB 3.29Å; W210-Y213 PolarHBondContact O-N 2.94Å; W210-Y213 VanDerWaalsContact O-N 3.11Å; W210-L331 HydrophobicContact CZ2-CB 3.93Å; W210-R333 VanDerWaalsContact CD1-NH2 3.34Å; W210-R333 HydrophobicContact CD2-CB 4.04Å; W210-R333 VanDerWaalsContact CE2-CB 3.44Å; W210-R333 HydrophobicContact CE3-CB 4.44Å; W210-R333 HydrophobicContact CH2-CB 3.8Å; W210-R333 HydrophobicContact CZ2-CB 3.32Å; W210-R333 VanDerWaalsContact CZ2-N 3.3Å; W210-R333 HydrophobicContact CZ3-CB 4.33Å; W210-R336 HydrophobicContact CH2-CB 4.09Å; W210-R336 HydrophobicContact CZ3-CB 3.89Å; W210-L338 HydrophobicContact CH2-CB 3.97Å; W210-L338 HydrophobicContact CZ2-CB 4.25Å; W210-L338 HydrophobicContact CZ3-CB 4.14Å
211	E	97.8	Very high	97.7	Very high	70 Å²	70	46 Å²	46	33%	0.327	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-61.3	-20.1	172.3	-68.2	176.9	-124.4	0	0	113.4	R204 D207 D208 L209	R204-E211 IonicContact CZ-OE2 3.31Å; R204-E211 IonicContact NE-OE2 2.73Å; R204-E211 IonicContact NH2-OE2 3.73Å; R204-E211 PolarHBondContact NH2-OE2 3.2Å; D207-E211 WeakPolarHBondContact CA-OE1 3.46Å; D207-E211 WeakPolarHBondContact CB-OE1 3.35Å; D207-E211 PolarHBondContact N-OE1 3.39Å; D208-E211 PolarHBondContact N-OE1 3.1Å; D208-E211 VanDerWaalsContact O-CB 3.3Å; D208-E211 WeakPolarHBondContact O-CB 3.4Å; D208-E211 VanDerWaalsContact O-CG 3.29Å; D208-E211 WeakPolarHBondContact O-CG 3.39Å; D208-E211 PolarHBondContact O-N 2.94Å; L209-E211 PolarHBondContact O-N 3.43Å
212	L	98	Very high	97.8	Very high	5 Å²	5	44 Å²	44	3%	0.026	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-87.4	-13.7	-179.5	-57.5	179.3	0	0	0	112.2	A47 V49 I74 I206 L209 W210 S215 F216 V219	A47-L212 HydrophobicContact CB-CD1 3.91Å; V49-L212 HydrophobicContact CG2-CD1 3.68Å; I74-L212 HydrophobicContact CD1-CD2 3.51Å; I206-L212 HydrophobicContact CD1-CD2 3.92Å; L209-L212 WeakPolarHBondContact O-CB 3.21Å; L209-L212 PolarHBondContact O-N 3.02Å; L209-L212 VanDerWaalsContact O-N 3.15Å; W210-L212 PolarHBondContact O-N 3.44Å; W210-L212 VanDerWaalsContact O-N 3.16Å; L212-S215 PolarHBondContact O-N 2.91Å; L212-F216 HydrophobicContact CB-CD2 3.98Å; L212-F216 HydrophobicContact CD2-CD2 4.16Å; L212-F216 HydrophobicContact CD2-CE2 4.19Å; L212-F216 PolarHBondContact O-N 2.82Å; L212-V219 HydrophobicContact CB-CG2 3.92Å; L212-V219 HydrophobicContact CD1-CB 4.43Å; L212-V219 HydrophobicContact CD1-CG1 3.82Å; L212-V219 HydrophobicContact CD1-CG2 3.67Å; L212-V219 HydrophobicContact CG-CG2 4.44Å
213	Y	95.8	Very high	97.8	Very high	75 Å²	75	41.9 Å²	41.9	29%	0.294	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	137.3	171.4	-179.2	-85	0	0	0	110.2	W210 R336	W210-Y213 HydrophobicContact CE3-CG 4.18Å; W210-Y213 HydrophobicContact CZ3-CD1 4.49Å; W210-Y213 HydrophobicContact CZ3-CD2 4.29Å; W210-Y213 HydrophobicContact CZ3-CG 4.09Å; W210-Y213 WeakPolarHBondContact O-CB 3.29Å; W210-Y213 PolarHBondContact O-N 2.94Å; W210-Y213 VanDerWaalsContact O-N 3.11Å; Y213-R336 HydrophobicContact CE1-CB 4.43Å; Y213-R336 VanDerWaalsContact CE1-CD 3.45Å; Y213-R336 HydrophobicContact CE1-CG 4.14Å; Y213-R336 HydrophobicContact CE2-CB 4.35Å
214	P	93.8	Very high	97.8	Very high	79 Å²	79	37.7 Å²	37.7	51%	0.513	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.5	12.5	0	37.6	-34.9	0	0	0	113.7	R45 F216	R45-P214 PolarHBondContact NH1-O 2.93Å; R45-P214 PolarHBondContact NH2-O 3.42Å; P214-F216 PolarHBondContact O-N 2.88Å
215	S	96.9	Very high	97.8	Very high	36 Å²	36	34.8 Å²	34.8	25%	0.252	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.6	-174.8	-60.9	0	0	0	0	113.7	R45 L212	R45-S215 WeakPolarHBondContact CD-O 3.41Å; R45-S215 PolarHBondContact NE-O 2.89Å; R45-S215 PolarHBondContact NH1-O 2.97Å; L212-S215 PolarHBondContact O-N 2.91Å
216	F	97.7	Very high	97.9	Very high	30 Å²	30	30 Å²	30	13%	0.132	17%	0.171	C	C	.	.			trans	-124.6	145.7	177.1	-64.6	-82.4	0	0	0	111.2	R45 A47 T72 I74 L212 P214	R45-F216 HydrophobicContact CB-CD1 4.14Å; A47-F216 HydrophobicContact CB-CB 4.09Å; A47-F216 HydrophobicContact CB-CD1 3.62Å; A47-F216 HydrophobicContact CB-CD2 3.83Å; A47-F216 HydrophobicContact CB-CE1 3.92Å; A47-F216 HydrophobicContact CB-CE2 4.12Å; A47-F216 HydrophobicContact CB-CG 3.56Å; A47-F216 HydrophobicContact CB-CZ 4.16Å; T72-F216 HydrophobicContact CG2-CE1 4.43Å; T72-F216 HydrophobicContact CG2-CZ 4.09Å; I74-F216 HydrophobicContact CD1-CE2 3.85Å; I74-F216 HydrophobicContact CD1-CZ 4.02Å; L212-F216 HydrophobicContact CB-CD2 3.98Å; L212-F216 HydrophobicContact CD2-CD2 4.16Å; L212-F216 HydrophobicContact CD2-CE2 4.19Å; L212-F216 PolarHBondContact O-N 2.82Å; P214-F216 PolarHBondContact O-N 2.88Å
217	D	97.1	Very high	97.9	Very high	50 Å²	50	29.3 Å²	29.3	27%	0.267	17%	0.168	S	C	.	.	S	Bend	trans	-88.6	-32	-179.1	-51.5	-48.4	0	0	0	111.1	R45 P339 L372	R45-D217 WeakPolarHBondContact CB-OD2 3.4Å; R45-D217 IonicContact CZ-OD1 3.68Å; R45-D217 PolarHBondContact N-OD2 2.92Å; R45-D217 IonicContact NE-OD1 2.7Å; R45-D217 PolarHBondContact NE-OD1 2.93Å; R45-D217 IonicContact NE-OD2 2.8Å; R45-D217 PolarHBondContact NE-OD2 3.15Å; R45-D217 IonicContact NH2-OD1 2.71Å; R45-D217 PolarHBondContact NH2-OD1 3.04Å; R45-D217 IonicContact NH2-OD2 2.97Å; R45-D217 PolarHBondContact O-N 3.47Å; D217-P339 WeakPolarHBondContact O-CD 3.36Å; D217-L372 HydrophobicContact CB-CD1 4.07Å
218	I	98.6	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.9	178.4	-58.3	167.4	0	0	0	109.2	R45 I46 A47 P339 V365 C368 V369 L372	R45-I218 PolarHBondContact O-N 2.77Å; I46-I218 WeakPolarHBondContact CA-O 3.29Å; I46-I218 HydrophobicContact CG1-CB 4.48Å; A47-I218 PolarHBondContact N-O 3.16Å; I218-P339 HydrophobicContact CG1-CB 4.31Å; I218-V365 HydrophobicContact CD1-CG1 4.36Å; I218-C368 HydrophobicContact CD1-CB 3.59Å; I218-C368 HydrophobicContact CG1-CB 4.22Å; I218-V369 HydrophobicContact CD1-CB 4.44Å; I218-V369 HydrophobicContact CD1-CG2 3.43Å; I218-V369 VanDerWaalsContact CD1-CG2 3.43Å; I218-L372 HydrophobicContact CD1-CD1 3.98Å; I218-L372 HydrophobicContact CG1-CD1 3.81Å
219	V	98.9	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.3	171.2	178.7	0	0	0	0	109.8	A47 V49 L209 L212 L338 P339 V340 V341	A47-V219 HydrophobicContact CB-CG2 4.5Å; A47-V219 CarbonylContact O-C 3.56Å; A47-V219 WeakPolarHBondContact O-CA 3.28Å; V49-V219 HydrophobicContact CG2-CG1 3.99Å; L209-V219 HydrophobicContact CD2-CG1 4.17Å; L212-V219 HydrophobicContact CB-CG2 3.92Å; L212-V219 HydrophobicContact CD1-CB 4.43Å; L212-V219 HydrophobicContact CD1-CG1 3.82Å; L212-V219 HydrophobicContact CD1-CG2 3.67Å; L212-V219 HydrophobicContact CG-CG2 4.44Å; V219-L338 HydrophobicContact CG2-CD1 4.02Å; V219-L338 HydrophobicContact CG2-CD2 4.2Å; V219-L338 HydrophobicContact CG2-CG 4.34Å; V219-P339 PolarHBondContact N-O 2.93Å; V219-V340 HydrophobicContact CB-CG2 4.27Å; V219-V340 CarbonylContact O-C 3.55Å; V219-V340 WeakPolarHBondContact O-CA 3.33Å; V219-V341 PolarHBondContact O-N 2.95Å
220	V	98.9	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.7	172.6	-170	0	0	0	0	107.6	I46 A47 V48 V49 T58 I62 C222 V341 V365	I46-V220 HydrophobicContact CG2-CG2 3.84Å; A47-V220 PolarHBondContact O-N 3.15Å; V48-V220 WeakPolarHBondContact CA-O 3.3Å; V48-V220 HydrophobicContact CG2-CB 4.13Å; V48-V220 HydrophobicContact CG2-CG2 4.33Å; V49-V220 PolarHBondContact N-O 3.23Å; T58-V220 HydrophobicContact CG2-CG1 3.82Å; I62-V220 HydrophobicContact CD1-CG2 3.85Å; V220-C222 PolarHBondContact O-N 3.45Å; V220-V341 CarbonylContact C-O 3.54Å; V220-V341 VanDerWaalsContact CA-O 3.31Å; V220-V341 WeakPolarHBondContact CA-O 3.32Å; V220-V341 HydrophobicContact CG1-CB 4.35Å; V220-V341 HydrophobicContact CG2-CB 4.49Å; V220-V365 HydrophobicContact CG2-CG2 3.6Å
221	N	98.9	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	97.3	-176.7	177.3	5.8	0	0	0	110.3	S223 S227 V340 V341 H342 H343	N221-S223 WeakPolarHBondContact OD1-CB 3.22Å; N221-S223 PolarHBondContact OD1-N 2.89Å; N221-S223 VanDerWaalsContact OD1-N 3.16Å; N221-S223 PolarHBondContact OD1-OG 3.31Å; N221-S227 PolarHBondContact ND2-OG 2.92Å; N221-S227 PolarHBondContact OD1-OG 3.39Å; N221-S227 VanDerWaalsContact OD1-OG 3.1Å; N221-V340 HydrophobicContact CB-CG1 4.2Å; N221-V341 PolarHBondContact N-O 3.5Å; N221-H342 PolarHBondContact ND2-ND1 3.36Å; N221-H343 CarbonylContact O-C 3.52Å; N221-H343 PolarHBondContact O-N 2.86Å
222	C	98.9	Very high	97.9	Very high	9 Å²	9	34 Å²	34	6%	0.061	20%	0.204	C	C	.	.			trans	-109	25.7	174.5	-61.6	0	0	0	0	112.2	V48 V49 V54 G55 V220 G224 H343	V48-C222 HydrophobicContact CG1-CB 4.37Å; V49-C222 CarbonylContact O-C 3.57Å; V49-C222 WeakPolarHBondContact O-CA 3.49Å; V49-C222 WeakPolarHBondContact O-CB 3.49Å; V49-C222 PolarHBondContact O-N 3.11Å; V54-C222 HydrophobicContact CG1-CB 4.47Å; G55-C222 VanDerWaalsContact CA-CB 3.48Å; V220-C222 PolarHBondContact O-N 3.45Å; C222-G224 PolarHBondContact O-N 3.22Å; C222-H343 WeakPolarHBondContact CA-O 3.3Å
223	S	98.8	Very high	97.9	Very high	27 Å²	27	34.2 Å²	34.2	19%	0.189	21%	0.206	C	C	.	.			trans	-74.7	6.2	-169.9	65.8	0	0	0	0	114.9	V49 N221 L225 G226 S227	V49-S223 PolarHBondContact O-N 2.85Å; V49-S223 VanDerWaalsContact O-N 3.08Å; N221-S223 WeakPolarHBondContact OD1-CB 3.22Å; N221-S223 PolarHBondContact OD1-N 2.89Å; N221-S223 VanDerWaalsContact OD1-N 3.16Å; N221-S223 PolarHBondContact OD1-OG 3.31Å; S223-L225 PolarHBondContact O-N 3.32Å; S223-G226 PolarHBondContact O-N 3.39Å; S223-S227 WeakPolarHBondContact OG-CA 3.45Å; S223-S227 PolarHBondContact OG-N 3.19Å; S223-S227 PolarHBondContact OG-OG 3.1Å
224	G	98.6	Very high	98	Very high	18 Å²	18	35 Å²	35	19%	0.186	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	58.6	-121.1	178.3	0	0	0	0	0	111.5	C222 G226 S227 I236	C222-G224 PolarHBondContact O-N 3.22Å; G224-G226 PolarHBondContact O-N 3.39Å; G224-S227 WeakPolarHBondContact O-CB 3.42Å; G224-S227 PolarHBondContact O-N 3.01Å; G224-S227 PolarHBondContact O-OG 3.28Å; G224-I236 WeakPolarHBondContact O-CD1 3.44Å
225	L	98.3	Very high	98.2	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.136	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-68.1	-23.8	179.1	-169.8	59.3	0	0	0	112.6	S223 S227 R228 I236 P238 W282 L317 P319	S223-L225 PolarHBondContact O-N 3.32Å; L225-S227 PolarHBondContact O-N 3.09Å; L225-R228 WeakPolarHBondContact O-CB 3.18Å; L225-R228 PolarHBondContact O-N 2.8Å; L225-R228 VanDerWaalsContact O-N 3.11Å; L225-I236 HydrophobicContact CD1-CD1 4.4Å; L225-I236 HydrophobicContact CD1-CG1 3.99Å; L225-P238 HydrophobicContact CD2-CB 3.84Å; L225-W282 HydrophobicContact CD1-CH2 3.9Å; L225-W282 HydrophobicContact CD1-CZ3 4.34Å; L225-W282 HydrophobicContact CD2-CE3 3.97Å; L225-W282 HydrophobicContact CD2-CH2 3.78Å; L225-W282 HydrophobicContact CD2-CZ3 3.35Å; L225-W282 HydrophobicContact CG-CH2 3.77Å; L225-W282 HydrophobicContact CG-CZ3 3.74Å; L225-L317 HydrophobicContact CD2-CB 4Å; L225-L317 HydrophobicContact CD2-CD1 4.12Å; L225-P319 HydrophobicContact CB-CB 4.19Å
226	G	98.4	Very high	98.3	Very high	34 Å²	34	35.4 Å²	35.4	35%	0.351	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-60	-24.7	174	0	0	0	0	0	113.2	S223 G224 R228 Q229 L230	S223-G226 PolarHBondContact O-N 3.39Å; G224-G226 PolarHBondContact O-N 3.39Å; G226-R228 PolarHBondContact O-N 3.47Å; G226-R228 VanDerWaalsContact O-N 3.09Å; G226-Q229 PolarHBondContact O-N 3.45Å; G226-L230 PolarHBondContact O-N 3.33Å
227	S	98.4	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-20.7	175.6	-65	0	0	0	0	113.7	N221 S223 G224 L225 Q229 A231 Y344	N221-S227 PolarHBondContact ND2-OG 2.92Å; N221-S227 PolarHBondContact OD1-OG 3.39Å; N221-S227 VanDerWaalsContact OD1-OG 3.1Å; S223-S227 WeakPolarHBondContact OG-CA 3.45Å; S223-S227 PolarHBondContact OG-N 3.19Å; S223-S227 PolarHBondContact OG-OG 3.1Å; G224-S227 WeakPolarHBondContact O-CB 3.42Å; G224-S227 PolarHBondContact O-N 3.01Å; G224-S227 PolarHBondContact O-OG 3.28Å; L225-S227 PolarHBondContact O-N 3.09Å; S227-Q229 PolarHBondContact O-N 3.3Å; S227-A231 WeakPolarHBondContact O-CB 3.15Å; S227-A231 PolarHBondContact O-N 2.98Å; S227-Y344 VanDerWaalsContact CB-CD2 3.49Å; S227-Y344 VanDerWaalsContact CB-CE2 3.46Å; S227-Y344 VanDerWaalsContact CB-CZ 3.47Å; S227-Y344 WeakPolarHBondContact OG-CD1 3.36Å; S227-Y344 WeakPolarHBondContact OG-CE1 3.5Å
228	R	98.3	Very high	98.4	Very high	101 Å²	101	34.5 Å²	34.5	38%	0.381	21%	0.205	S	C	.	.	H	α-helix	trans	-56.4	-41.2	171.8	-173.2	177.4	177.1	84.9	3.2	111.3	L225 G226 G232 S234 I236	L225-R228 WeakPolarHBondContact O-CB 3.18Å; L225-R228 PolarHBondContact O-N 2.8Å; L225-R228 VanDerWaalsContact O-N 3.11Å; G226-R228 PolarHBondContact O-N 3.47Å; G226-R228 VanDerWaalsContact O-N 3.09Å; R228-G232 WeakPolarHBondContact O-CA 3.39Å; R228-S234 PolarHBondContact NH1-O 3.43Å; R228-I236 HydrophobicContact CB-CG2 3.98Å; R228-I236 PolarHBondContact NH1-O 3.45Å
229	Q	98.1	Very high	98.4	Very high	110 Å²	110	35 Å²	35	51%	0.514	21%	0.208	S	C	.	.	H	α-helix	trans	-81.3	-55.9	173.9	-175.9	-161.8	4.1	0	0	110.3	D207 G226 S227 A231 G232	D207-Q229 PolarHBondContact OD1-NE2 3.22Å; G226-Q229 PolarHBondContact O-N 3.45Å; S227-Q229 PolarHBondContact O-N 3.3Å; Q229-A231 VanDerWaalsContact C-N 3.28Å; Q229-A231 PolarHBondContact O-N 3.08Å; Q229-G232 PolarHBondContact O-N 3.38Å
230	L	98.4	Very high	98.4	Very high	24 Å²	24	35.1 Å²	35.1	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-27	-168	-71.1	176.1	0	0	0	114.8	V49 I206 L209 G226	V49-L230 HydrophobicContact CG1-CD1 4.14Å; I206-L230 HydrophobicContact CG2-CD2 4.08Å; L209-L230 HydrophobicContact CD2-CB 4.3Å; L209-L230 HydrophobicContact CD2-CD1 4.18Å; L209-L230 HydrophobicContact CD2-CD2 4.27Å; L209-L230 HydrophobicContact CG-CB 4.37Å; G226-L230 PolarHBondContact O-N 3.33Å
231	A	98.1	Very high	98.4	Very high	29 Å²	29	35.3 Å²	35.3	24%	0.24	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	6.2	179.7	0	0	0	0	0	112.9	S227 Q229 D233 Y344	S227-A231 WeakPolarHBondContact O-CB 3.15Å; S227-A231 PolarHBondContact O-N 2.98Å; Q229-A231 VanDerWaalsContact C-N 3.28Å; Q229-A231 PolarHBondContact O-N 3.08Å; A231-D233 PolarHBondContact O-N 3.33Å; A231-Y344 HydrophobicContact CB-CE1 4.45Å; A231-Y344 WeakPolarHBondContact CB-OH 3.42Å
232	G	97.8	Very high	98.4	Very high	60 Å²	60	35.3 Å²	35.3	62%	0.619	21%	0.211	S	C	*	.			trans	56.8	21.8	-176.5	0	0	0	0	0	114.6	R228 Q229 S234	R228-G232 WeakPolarHBondContact O-CA 3.39Å; Q229-G232 PolarHBondContact O-N 3.38Å; G232-S234 PolarHBondContact O-N 3.16Å
233	D	98.3	Very high	98.3	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.059	21%	0.209	C	C	.	.			trans	-80.3	105.5	-174.3	-165.8	-21.7	0	0	0	110.2	A231 K235 I236 R321 R325 Y344	A231-D233 PolarHBondContact O-N 3.33Å; D233-K235 VanDerWaalsContact C-N 3.29Å; D233-K235 PolarHBondContact O-N 2.94Å; D233-K235 VanDerWaalsContact OD1-CB 3.24Å; D233-K235 WeakPolarHBondContact OD1-CB 3.43Å; D233-K235 PolarHBondContact OD1-N 3.05Å; D233-I236 HydrophobicContact CB-CG2 4.07Å; D233-I236 WeakPolarHBondContact O-CG2 3.45Å; D233-R321 IonicContact OD2-CZ 4Å; D233-R321 IonicContact OD2-NE 3.22Å; D233-R321 PolarHBondContact OD2-NE 3.13Å; D233-R321 VanDerWaalsContact OD2-NE 3.17Å; D233-R321 IonicContact OD2-NH2 2.75Å; D233-R325 WeakPolarHBondContact OD2-CD 3.43Å; D233-R325 IonicContact OD2-NH1 3.5Å; D233-R325 PolarHBondContact OD2-NH1 3.11Å; D233-Y344 HydrophobicContact CB-CE2 4.26Å; D233-Y344 WeakPolarHBondContact CB-OH 3.24Å; D233-Y344 PolarHBondContact OD2-OH 3.01Å
234	S	97.6	Very high	98.3	Very high	92 Å²	92	34 Å²	34	64%	0.643	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.9	179.2	61.9	0	0	0	0	113.6	R228 G232 I236	R228-S234 PolarHBondContact NH1-O 3.43Å; G232-S234 PolarHBondContact O-N 3.16Å; S234-I236 VanDerWaalsContact C-N 3.26Å; S234-I236 PolarHBondContact O-N 2.99Å
235	K	98.3	Very high	98.3	Very high	123 Å²	123	34.5 Å²	34.5	54%	0.535	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.2	179.3	-59.4	-179	175.7	-175.3	0	112.5	D233 R321	D233-K235 VanDerWaalsContact C-N 3.29Å; D233-K235 PolarHBondContact O-N 2.94Å; D233-K235 VanDerWaalsContact OD1-CB 3.24Å; D233-K235 WeakPolarHBondContact OD1-CB 3.43Å; D233-K235 PolarHBondContact OD1-N 3.05Å; K235-R321 HydrophobicContact CB-CG 4.13Å
236	I	98.6	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.			trans	-89.4	130.4	176.2	-178.2	170.5	0	0	0	111.1	G224 L225 R228 D233 S234 P319 Y320 R321 Y344	G224-I236 WeakPolarHBondContact O-CD1 3.44Å; L225-I236 HydrophobicContact CD1-CD1 4.4Å; L225-I236 HydrophobicContact CD1-CG1 3.99Å; R228-I236 HydrophobicContact CB-CG2 3.98Å; R228-I236 PolarHBondContact NH1-O 3.45Å; D233-I236 HydrophobicContact CB-CG2 4.07Å; D233-I236 WeakPolarHBondContact O-CG2 3.45Å; S234-I236 VanDerWaalsContact C-N 3.26Å; S234-I236 PolarHBondContact O-N 2.99Å; I236-P319 HydrophobicContact CD1-CB 3.84Å; I236-Y320 VanDerWaalsContact CA-O 3.25Å; I236-Y320 WeakPolarHBondContact CA-O 3.41Å; I236-R321 HydrophobicContact CB-CB 4.39Å; I236-Y344 HydrophobicContact CD1-CD2 3.93Å; I236-Y344 HydrophobicContact CG2-CE2 4.44Å
237	F	98.7	Very high	98.3	Very high	60 Å²	60	36 Å²	36	26%	0.263	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	159.1	179.1	66	-93.1	0	0	0	111	V239 K279 Y320	F237-V239 HydrophobicContact CD2-CG2 4.32Å; F237-V239 HydrophobicContact CE2-CG2 3.78Å; F237-K279 HydrophobicContact CE2-CB 4.11Å; F237-K279 HydrophobicContact CE2-CG 4.29Å; F237-Y320 HydrophobicContact CD1-CD1 4.05Å; F237-Y320 AromaticContact CE1-CD1 3.28Å; F237-Y320 HydrophobicContact CE1-CD1 3.28Å; F237-Y320 AromaticContact CE1-CE1 3.63Å; F237-Y320 HydrophobicContact CE1-CE1 3.63Å; F237-Y320 HydrophobicContact CE1-CG 4.43Å; F237-Y320 AromaticContact CE2-CD1 3.93Å; F237-Y320 HydrophobicContact CE2-CD1 3.93Å; F237-Y320 HydrophobicContact CE2-CG 4.47Å; F237-Y320 AromaticContact CZ-CD1 3.19Å; F237-Y320 HydrophobicContact CZ-CD1 3.19Å; F237-Y320 AromaticContact CZ-CE1 3.55Å; F237-Y320 HydrophobicContact CZ-CE1 3.55Å; F237-Y320 HydrophobicContact CZ-CG 4.1Å; F237-Y320 PolarHBondContact N-O 3.08Å; F237-Y320 PolarHBondContact O-N 3.06Å
238	P	98.6	Very high	98.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.9	-179.7	30.6	-36.6	0	0	0	111.6	L225 G280 W282 L317 R318	L225-P238 HydrophobicContact CD2-CB 3.84Å; P238-G280 PolarHBondContact O-N 2.76Å; P238-W282 HydrophobicContact CB-CD2 4.47Å; P238-W282 VanDerWaalsContact CD-CZ2 3.41Å; P238-W282 HydrophobicContact CG-CD2 3.66Å; P238-W282 VanDerWaalsContact CG-CE2 3.42Å; P238-W282 HydrophobicContact CG-CE3 4.27Å; P238-W282 HydrophobicContact CG-CG 3.91Å; P238-W282 HydrophobicContact CG-CH2 4.45Å; P238-W282 HydrophobicContact CG-CZ2 3.86Å; P238-L317 HydrophobicContact CB-CB 4.03Å; P238-L317 HydrophobicContact CB-CD1 4.33Å; P238-L317 HydrophobicContact CB-CD2 4.37Å; P238-L317 HydrophobicContact CB-CG 4.46Å; P238-R318 WeakPolarHBondContact CA-O 3.31Å
239	V	98.6	Very high	98.3	Very high	10 Å²	10	35.5 Å²	35.5	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	99	157.7	-179.8	0	0	0	0	107.6	F237 G241 R277 Q278 K279 R318 Y320	F237-V239 HydrophobicContact CD2-CG2 4.32Å; F237-V239 HydrophobicContact CE2-CG2 3.78Å; V239-G241 PolarHBondContact O-N 2.86Å; V239-R277 HydrophobicContact CG1-CB 4.09Å; V239-Q278 CarbonylContact C-O 3.58Å; V239-Q278 WeakPolarHBondContact CA-O 3.3Å; V239-K279 HydrophobicContact CG2-CG 4.22Å; V239-R318 HydrophobicContact CB-CB 4.24Å; V239-R318 PolarHBondContact N-O 3.08Å; V239-R318 WeakPolarHBondContact O-CB 3.46Å; V239-R318 WeakPolarHBondContact O-CG 3.32Å; V239-R318 PolarHBondContact O-N 2.9Å; V239-R318 PolarHBondContact O-NH1 3.32Å; V239-Y320 HydrophobicContact CG2-CG 4.08Å
240	R	98.6	Very high	98.3	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.011	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	134.7	179.1	178.9	-174.8	-179	-92.9	1.1	110.1	R277 Q278 D281 N283 S285 N290 V315 L317 R318	R240-R277 WeakPolarHBondContact O-CA 3.49Å; R240-Q278 HydrophobicContact CB-CB 4.19Å; R240-Q278 PolarHBondContact N-O 3.44Å; R240-Q278 PolarHBondContact O-N 3.26Å; R240-D281 HydrophobicContact CB-CB 3.96Å; R240-D281 VanDerWaalsContact CD-CG 3.47Å; R240-D281 WeakPolarHBondContact CD-OD2 3.47Å; R240-D281 IonicContact NE-OD2 2.79Å; R240-N283 VanDerWaalsContact CD-O 3.22Å; R240-N283 WeakPolarHBondContact CD-O 3.19Å; R240-N283 PolarHBondContact NE-O 3.37Å; R240-S285 PolarHBondContact NH2-O 2.94Å; R240-N290 PolarHBondContact NH1-ND2 3.16Å; R240-V315 HydrophobicContact CG-CG1 3.77Å; R240-L317 HydrophobicContact CB-CD2 3.81Å; R240-L317 HydrophobicContact CG-CD2 4.08Å; R240-R318 PolarHBondContact O-NH1 3.34Å
241	G	98.3	Very high	98.3	Very high	4 Å²	4	35.7 Å²	35.7	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.3	174.2	0	0	0	0	0	110.4	V239 T276 V315 G316	V239-G241 PolarHBondContact O-N 2.86Å; G241-T276 WeakPolarHBondContact CA-O 3.42Å; G241-T276 WeakPolarHBondContact CA-OG1 3.44Å; G241-V315 WeakPolarHBondContact O-CA 3.42Å; G241-G316 PolarHBondContact N-O 3.12Å; G241-G316 PolarHBondContact O-N 3.36Å
242	Q	98.6	Very high	98.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.1	168.3	-172.5	166.1	-47.2	0	0	109.6	G275 T276 D287 S291 I294 K314 V315	Q242-G275 VanDerWaalsContact O-CA 3.26Å; Q242-G275 WeakPolarHBondContact O-CA 3.46Å; Q242-T276 HydrophobicContact CB-CG2 4.22Å; Q242-T276 PolarHBondContact N-OG1 3.37Å; Q242-T276 PolarHBondContact O-N 3.31Å; Q242-D287 PolarHBondContact NE2-O 3.25Å; Q242-S291 PolarHBondContact NE2-OG 3.39Å; Q242-I294 HydrophobicContact CB-CD1 4.29Å; Q242-I294 HydrophobicContact CG-CD1 4.32Å; Q242-I294 WeakPolarHBondContact O-CD1 3.19Å; Q242-K314 WeakPolarHBondContact CA-O 3.46Å; Q242-V315 HydrophobicContact CB-CG2 4.2Å; Q242-V315 HydrophobicContact CG-CG2 3.99Å
243	V	98.4	Very high	98.3	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.8	175	-60.8	0	0	0	0	109.7	V86 Y263 T272 L273 K314	V86-V243 HydrophobicContact CG1-CG2 4.49Å; V243-Y263 HydrophobicContact CG1-CE2 4.28Å; V243-Y263 WeakPolarHBondContact CG1-OH 3.45Å; V243-T272 HydrophobicContact CB-CG2 4Å; V243-T272 HydrophobicContact CG1-CG2 4.24Å; V243-T272 HydrophobicContact CG2-CG2 4.27Å; V243-L273 CarbonylContact C-O 3.57Å; V243-L273 WeakPolarHBondContact CA-O 3.44Å; V243-L273 WeakPolarHBondContact CB-O 3.25Å; V243-K314 HydrophobicContact CG2-CB 3.85Å; V243-K314 PolarHBondContact N-O 2.91Å; V243-K314 PolarHBondContact O-N 2.81Å
244	L	98.6	Very high	98.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.5	168.8	-48.9	178.4	0	0	0	108.6	V246 T272 L273 S291 I294 L295 I311 R312 E313	L244-V246 HydrophobicContact CB-CG1 4.29Å; L244-T272 CarbonylContact O-C 3.56Å; L244-T272 WeakPolarHBondContact O-CA 3.44Å; L244-L273 HydrophobicContact CB-CB 4.19Å; L244-L273 PolarHBondContact N-O 3.17Å; L244-L273 PolarHBondContact O-N 2.96Å; L244-S291 WeakPolarHBondContact CD2-OG 3.31Å; L244-I294 HydrophobicContact CD1-CB 4.24Å; L244-I294 HydrophobicContact CD1-CG2 3.92Å; L244-I294 HydrophobicContact CG-CB 4.44Å; L244-I294 HydrophobicContact CG-CG2 3.97Å; L244-L295 HydrophobicContact CD1-CB 3.96Å; L244-I311 HydrophobicContact CB-CG2 4.24Å; L244-I311 HydrophobicContact CD1-CG2 4.27Å; L244-I311 HydrophobicContact CD2-CG2 4.3Å; L244-R312 CarbonylContact C-O 3.49Å; L244-R312 WeakPolarHBondContact CA-O 3.29Å; L244-E313 HydrophobicContact CD2-CB 4.44Å; L244-E313 HydrophobicContact CD2-CG 3.69Å
245	Q	98.2	Very high	98.4	Very high	29 Å²	29	37 Å²	37	14%	0.136	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.3	166.2	-68.3	-175.3	-17.7	0	0	107.9	H270 V271 I311 R312	Q245-H270 HydrophobicContact CB-CB 4.13Å; Q245-V271 WeakPolarHBondContact CA-O 3.37Å; Q245-I311 WeakPolarHBondContact O-CA 3.26Å; Q245-R312 HydrophobicContact CB-CB 4.48Å; Q245-R312 PolarHBondContact N-O 3.06Å; Q245-R312 PolarHBondContact O-N 2.98Å
246	V	98.4	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.6	-177	-50.9	0	0	0	0	110.7	L244 A248 H270 V271 L273 L305 A308 I311	L244-V246 HydrophobicContact CB-CG1 4.29Å; V246-A248 HydrophobicContact CG2-CB 4.32Å; V246-H270 WeakPolarHBondContact O-CA 3.31Å; V246-V271 HydrophobicContact CG2-CB 3.96Å; V246-V271 PolarHBondContact N-O 3.46Å; V246-V271 PolarHBondContact O-N 2.73Å; V246-L273 HydrophobicContact CG1-CD1 3.78Å; V246-L273 HydrophobicContact CG1-CG 4.25Å; V246-L273 HydrophobicContact CG2-CD1 3.94Å; V246-L273 HydrophobicContact CG2-CD2 4.39Å; V246-L273 HydrophobicContact CG2-CG 4.02Å; V246-L305 HydrophobicContact CG2-CD2 4.36Å; V246-A308 HydrophobicContact CB-CB 4.12Å; V246-A308 HydrophobicContact CG2-CB 4.04Å; V246-I311 HydrophobicContact CG1-CB 4.28Å; V246-I311 HydrophobicContact CG1-CG1 3.84Å; V246-I311 HydrophobicContact CG1-CG2 4.16Å
247	Q	98.4	Very high	98.2	Very high	91 Å²	91	32.6 Å²	32.6	43%	0.425	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	108.6	171	-175.5	171.7	-5	0	0	109.3	C309 N310	Q247-C309 PolarHBondContact N-O 2.85Å; Q247-C309 PolarHBondContact O-N 2.94Å; Q247-N310 HydrophobicContact CB-CB 4.38Å
248	A	98	Very high	97.8	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	16%	0.158	C	C	.	.			trans	-150.7	69.9	178.4	0	0	0	0	0	109.5	V246 W250 V251 V271 L305 A308	V246-A248 HydrophobicContact CG2-CB 4.32Å; A248-W250 HydrophobicContact CB-CH2 4.43Å; A248-W250 HydrophobicContact CB-CZ2 3.86Å; A248-W250 PolarHBondContact O-N 2.86Å; A248-W250 VanDerWaalsContact O-N 3.09Å; A248-V251 HydrophobicContact CB-CG2 4.16Å; A248-V251 PolarHBondContact O-N 3.22Å; A248-V271 HydrophobicContact CB-CG2 4.06Å; A248-V271 WeakPolarHBondContact O-CG2 3.22Å; A248-L305 HydrophobicContact CB-CD2 3.91Å; A248-A308 HydrophobicContact CB-CB 4.06Å
249	P	97.3	Very high	97.4	Very high	90 Å²	90	33.9 Å²	33.9	58%	0.584	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.2	-170.5	26.4	-36	0	0	0	114.3	V251	P249-V251 PolarHBondContact O-N 3.43Å
250	W	98.1	Very high	96.9	Very high	126 Å²	126	33.5 Å²	33.5	48%	0.477	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.1	174.9	54.1	83.4	0	0	0	113.7	A248 E252 S304	A248-W250 HydrophobicContact CB-CH2 4.43Å; A248-W250 HydrophobicContact CB-CZ2 3.86Å; A248-W250 PolarHBondContact O-N 2.86Å; A248-W250 VanDerWaalsContact O-N 3.09Å; W250-E252 PolarHBondContact O-N 3.33Å; W250-S304 PolarHBondContact NE1-OG 3.13Å
251	V	98.4	Very high	96.4	Very high	11 Å²	11	36.8 Å²	36.8	7%	0.067	19%	0.193	C	C	.	.			trans	-87.3	104.9	173.7	-178.1	0	0	0	0	108.2	A248 P249 I264 P266 V271 E302 L305	A248-V251 HydrophobicContact CB-CG2 4.16Å; A248-V251 PolarHBondContact O-N 3.22Å; P249-V251 PolarHBondContact O-N 3.43Å; V251-I264 HydrophobicContact CG1-CG2 3.84Å; V251-P266 WeakPolarHBondContact O-CB 3.32Å; V251-V271 HydrophobicContact CB-CG2 4.17Å; V251-V271 HydrophobicContact CG1-CG1 4.41Å; V251-E302 HydrophobicContact CG2-CG 4.23Å; V251-L305 HydrophobicContact CG2-CD2 4.06Å
252	E	97.9	Very high	96.4	Very high	138 Å²	138	37 Å²	37	65%	0.645	19%	0.194	S	C	*	.			trans	-111.6	-14.5	-177.3	-62.3	-176.5	154.1	0	0	113.4	W250	W250-E252 PolarHBondContact O-N 3.33Å
253	H	98.6	Very high	96.4	Very high	80 Å²	80	37.9 Å²	37.9	37%	0.37	20%	0.197	S	C	.	.	S	Bend	trans	-108.8	136.8	179.8	-65.8	82.3	0	0	0	110.8	S133 W135	S133-H253 CarbonylContact O-C 3.43Å; S133-H253 WeakPolarHBondContact O-CA 3.21Å; W135-H253 HydrophobicContact CE3-CB 4.1Å; W135-H253 HydrophobicContact CH2-CB 3.68Å; W135-H253 AromaticContact CH2-CD2 3.94Å; W135-H253 AromaticContact CH2-CG 3.67Å; W135-H253 HydrophobicContact CZ3-CB 3.34Å; W135-H253 AromaticContact CZ3-CG 3.91Å
254	F	98.8	Very high	96.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	148.2	173.9	79.9	-99.4	0	0	0	111.3	M90 I92 V132 S133 G134 W135 F176 T178 I264 Y265	M90-F254 HydrophobicContact CE-CB 3.81Å; M90-F254 HydrophobicContact CE-CD1 3.52Å; M90-F254 HydrophobicContact CE-CD2 4.13Å; M90-F254 HydrophobicContact CE-CE1 4.13Å; M90-F254 HydrophobicContact CE-CG 3.55Å; I92-F254 HydrophobicContact CD1-CE2 4.42Å; V132-F254 HydrophobicContact CG1-CD1 4.36Å; V132-F254 HydrophobicContact CG2-CB 4.33Å; V132-F254 HydrophobicContact CG2-CD1 4.15Å; S133-F254 VanDerWaalsContact O-CD1 3.3Å; S133-F254 WeakPolarHBondContact O-CD1 3.14Å; S133-F254 PolarHBondContact O-N 3.01Å; G134-F254 VanDerWaalsContact C-CZ 3.43Å; G134-F254 CarbonylContact C-O 3.51Å; G134-F254 VanDerWaalsContact CA-CD1 3.48Å; G134-F254 VanDerWaalsContact CA-CE1 3.41Å; G134-F254 WeakPolarHBondContact CA-O 3.26Å; W135-F254 PolarHBondContact N-O 2.89Å; W135-F254 WeakPolarHBondContact O-CE2 3.47Å; F176-F254 HydrophobicContact CD1-CZ 4.15Å; F176-F254 HydrophobicContact CD2-CE1 4.33Å; F176-F254 AromaticContact CD2-CZ 3.95Å; F176-F254 HydrophobicContact CD2-CZ 3.95Å; F176-F254 HydrophobicContact CE1-CE2 4.16Å; F176-F254 AromaticContact CE1-CZ 3.7Å; F176-F254 HydrophobicContact CE1-CZ 3.7Å; F176-F254 HydrophobicContact CE2-CE1 4.07Å; F176-F254 HydrophobicContact CE2-CE2 4.34Å; F176-F254 AromaticContact CE2-CZ 3.48Å; F176-F254 HydrophobicContact CE2-CZ 3.48Å; F176-F254 VanDerWaalsContact CE2-CZ 3.48Å; F176-F254 HydrophobicContact CG-CZ 4.27Å; F176-F254 HydrophobicContact CZ-CE1 4.35Å; F176-F254 AromaticContact CZ-CE2 3.83Å; F176-F254 HydrophobicContact CZ-CE2 3.83Å; F176-F254 AromaticContact CZ-CZ 3.34Å; F176-F254 HydrophobicContact CZ-CZ 3.34Å; T178-F254 HydrophobicContact CG2-CE1 4.16Å; F254-I264 CarbonylContact C-O 3.54Å; F254-I264 VanDerWaalsContact CA-O 3.25Å; F254-I264 WeakPolarHBondContact CA-O 3.2Å; F254-Y265 HydrophobicContact CB-CD1 3.95Å; F254-Y265 HydrophobicContact CB-CE1 4.49Å; F254-Y265 HydrophobicContact CD2-CE1 4.43Å
255	I	98.7	Very high	96.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.7	170.7	-59.3	160.2	0	0	0	107.5	W135 I137 F167 Y263 I264 L301 E302	W135-I255 HydrophobicContact CE3-CG1 3.99Å; W135-I255 HydrophobicContact CZ3-CG1 4.41Å; W135-I255 WeakPolarHBondContact O-CA 3.49Å; I137-I255 HydrophobicContact CD1-CG2 3.86Å; I137-I255 HydrophobicContact CG1-CG2 4.42Å; F167-I255 HydrophobicContact CE1-CD1 3.91Å; F167-I255 HydrophobicContact CE1-CG1 4.2Å; F167-I255 HydrophobicContact CE1-CG2 4.01Å; F167-I255 HydrophobicContact CZ-CD1 4.11Å; F167-I255 HydrophobicContact CZ-CG1 4.08Å; F167-I255 HydrophobicContact CZ-CG2 4.36Å; I255-Y263 CarbonylContact O-C 3.39Å; I255-Y263 VanDerWaalsContact O-CA 3.26Å; I255-Y263 WeakPolarHBondContact O-CA 3.12Å; I255-I264 HydrophobicContact CB-CB 4.36Å; I255-I264 HydrophobicContact CB-CD1 4.4Å; I255-I264 HydrophobicContact CD1-CD1 4.15Å; I255-I264 PolarHBondContact N-O 2.77Å; I255-I264 PolarHBondContact O-N 3.32Å; I255-L301 HydrophobicContact CG2-CD1 4.03Å; I255-E302 HydrophobicContact CD1-CB 4.11Å
256	R	98.3	Very high	96.4	Very high	17 Å²	17	37.2 Å²	37.2	6%	0.064	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.2	175.3	-172	-169.6	-178.8	-82.8	16.9	110.1	W135 Q136 I137 G260 Y265	W135-R256 PolarHBondContact O-N 3.17Å; Q136-R256 CarbonylContact C-O 3.11Å; Q136-R256 VanDerWaalsContact CA-O 3.24Å; Q136-R256 WeakPolarHBondContact CA-O 3.46Å; Q136-R256 HydrophobicContact CG-CB 4.47Å; I137-R256 PolarHBondContact N-O 2.89Å; R256-G260 VanDerWaalsContact CZ-CA 3.48Å; R256-Y265 HydrophobicContact CB-CE1 4.17Å; R256-Y265 VanDerWaalsContact CD-OH 3.29Å; R256-Y265 WeakPolarHBondContact CD-OH 3.48Å; R256-Y265 WeakPolarHBondContact CG-OH 3.37Å
257	D	95.7	Very high	96.3	Very high	14 Å²	14	38.2 Å²	38.2	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	160.3	172.6	86.7	-39	0	0	0	111.9	I137 Y170 S259 G260 L261 T262	I137-D257 CarbonylContact O-C 3.56Å; I137-D257 WeakPolarHBondContact O-CA 3.28Å; Y170-D257 HydrophobicContact CE1-CB 4.3Å; D257-S259 VanDerWaalsContact C-N 3.27Å; D257-S259 PolarHBondContact O-N 2.93Å; D257-S259 PolarHBondContact OD1-OG 2.86Å; D257-S259 VanDerWaalsContact OD1-OG 3.11Å; D257-S259 WeakPolarHBondContact OD2-CB 3.42Å; D257-S259 PolarHBondContact OD2-OG 3.12Å; D257-G260 PolarHBondContact O-N 2.64Å; D257-G260 VanDerWaalsContact OD1-CA 3.3Å; D257-G260 WeakPolarHBondContact OD1-CA 3.32Å; D257-G260 PolarHBondContact OD1-N 2.83Å; D257-L261 PolarHBondContact OD1-N 2.89Å; D257-L261 VanDerWaalsContact OD1-N 3.13Å; D257-T262 PolarHBondContact N-O 2.84Å; D257-T262 PolarHBondContact OD1-N 3.43Å
258	G	89.7	Confident	95.9	Very high	29 Å²	29	38.5 Å²	38.5	30%	0.299	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-37.7	-178.2	0	0	0	0	0	113.1	I137 G260	I137-G258 PolarHBondContact O-N 2.73Å; G258-G260 PolarHBondContact O-N 3.45Å
259	S	90.2	Very high	95.5	Very high	59 Å²	59	42.5 Å²	42.5	41%	0.413	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.5	176.8	82.7	0	0	0	0	112.3	D257 L261 R277	D257-S259 VanDerWaalsContact C-N 3.27Å; D257-S259 PolarHBondContact O-N 2.93Å; D257-S259 PolarHBondContact OD1-OG 2.86Å; D257-S259 VanDerWaalsContact OD1-OG 3.11Å; D257-S259 WeakPolarHBondContact OD2-CB 3.42Å; D257-S259 PolarHBondContact OD2-OG 3.12Å; S259-L261 PolarHBondContact O-N 3.47Å; S259-L261 VanDerWaalsContact OG-CB 3.3Å; S259-L261 WeakPolarHBondContact OG-CB 3.49Å; S259-L261 WeakPolarHBondContact OG-CG 3.47Å; S259-L261 PolarHBondContact OG-N 3.36Å; S259-R277 PolarHBondContact O-NH2 3.48Å
260	G	87.2	Confident	95.4	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.021	22%	0.222	C	C	.	.	S	Bend	trans	68.2	20.5	-171.3	0	0	0	0	0	113.2	R256 D257 G258 R277	R256-G260 VanDerWaalsContact CZ-CA 3.48Å; D257-G260 PolarHBondContact O-N 2.64Å; D257-G260 VanDerWaalsContact OD1-CA 3.3Å; D257-G260 WeakPolarHBondContact OD1-CA 3.32Å; D257-G260 PolarHBondContact OD1-N 2.83Å; G258-G260 PolarHBondContact O-N 3.45Å; G260-R277 VanDerWaalsContact C-NH2 3.3Å; G260-R277 PolarHBondContact O-NH2 3.35Å
261	L	89.6	Confident	95.5	Very high	73 Å²	73	34.6 Å²	34.6	38%	0.382	20%	0.201	S	C	.	.	S	Bend	trans	-88.3	-21.3	168.4	-64.9	175.3	0	0	0	111.7	D257 S259 G274 G275 R277	D257-L261 PolarHBondContact OD1-N 2.89Å; D257-L261 VanDerWaalsContact OD1-N 3.13Å; S259-L261 PolarHBondContact O-N 3.47Å; S259-L261 VanDerWaalsContact OG-CB 3.3Å; S259-L261 WeakPolarHBondContact OG-CB 3.49Å; S259-L261 WeakPolarHBondContact OG-CG 3.47Å; S259-L261 PolarHBondContact OG-N 3.36Å; L261-G274 CarbonylContact O-C 3.54Å; L261-G275 PolarHBondContact O-N 3.36Å; L261-R277 HydrophobicContact CD2-CB 4.14Å; L261-R277 HydrophobicContact CD2-CG 3.92Å
262	T	97.6	Very high	95.5	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.055	20%	0.199	C	C	.	.	S	Bend	trans	-122.2	118.9	176.4	-50	0	0	0	0	109.6	D257 G274 R297 L301	D257-T262 PolarHBondContact N-O 2.84Å; D257-T262 PolarHBondContact OD1-N 3.43Å; T262-G274 CarbonylContact C-O 3.47Å; T262-G274 VanDerWaalsContact CA-O 3.31Å; T262-G274 WeakPolarHBondContact CA-O 3.42Å; T262-R297 HydrophobicContact CG2-CB 3.74Å; T262-R297 WeakPolarHBondContact OG1-CD 3.42Å; T262-R297 PolarHBondContact OG1-NE 3.18Å; T262-R297 VanDerWaalsContact OG1-NE 3.17Å; T262-L301 HydrophobicContact CG2-CD1 3.51Å; T262-L301 HydrophobicContact CG2-CG 4.35Å
263	Y	98.4	Very high	95.5	Very high	18 Å²	18	27.7 Å²	27.7	7%	0.071	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.3	178.9	55.6	-99.7	0	0	0	112.3	A88 V243 I255 Y265 T272 L273 G274	A88-Y263 HydrophobicContact CB-CE2 4.06Å; V243-Y263 HydrophobicContact CG1-CE2 4.28Å; V243-Y263 WeakPolarHBondContact CG1-OH 3.45Å; I255-Y263 CarbonylContact O-C 3.39Å; I255-Y263 VanDerWaalsContact O-CA 3.26Å; I255-Y263 WeakPolarHBondContact O-CA 3.12Å; Y263-Y265 HydrophobicContact CD1-CE2 4.37Å; Y263-Y265 HydrophobicContact CD2-CD1 4.45Å; Y263-Y265 AromaticContact CD2-CD2 3.44Å; Y263-Y265 HydrophobicContact CD2-CD2 3.44Å; Y263-Y265 VanDerWaalsContact CD2-CD2 3.44Å; Y263-Y265 HydrophobicContact CD2-CE1 4.4Å; Y263-Y265 AromaticContact CD2-CE2 3.32Å; Y263-Y265 HydrophobicContact CD2-CE2 3.32Å; Y263-Y265 HydrophobicContact CD2-CG 4.03Å; Y263-Y265 AromaticContact CD2-CZ 3.85Å; Y263-Y265 AromaticContact CE2-CD2 3.97Å; Y263-Y265 HydrophobicContact CE2-CD2 3.97Å; Y263-Y265 AromaticContact CE2-CE2 3.89Å; Y263-Y265 HydrophobicContact CE2-CE2 3.89Å; Y263-Y265 HydrophobicContact CG-CD2 4.15Å; Y263-Y265 HydrophobicContact CG-CE1 4.25Å; Y263-Y265 AromaticContact CG-CE2 3.6Å; Y263-Y265 HydrophobicContact CG-CE2 3.6Å; Y263-Y265 AromaticContact CG-CZ 3.66Å; Y263-T272 HydrophobicContact CE2-CG2 4.41Å; Y263-L273 WeakPolarHBondContact O-CA 3.32Å; Y263-G274 VanDerWaalsContact CZ-CA 3.45Å; Y263-G274 PolarHBondContact N-O 3.46Å; Y263-G274 PolarHBondContact O-N 2.92Å
264	I	98.8	Very high	95.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	107.7	178.2	-58.3	166	0	0	0	105.8	V251 F254 I255 V271 L273 C298 L301 E302 L305	V251-I264 HydrophobicContact CG1-CG2 3.84Å; F254-I264 CarbonylContact C-O 3.54Å; F254-I264 VanDerWaalsContact CA-O 3.25Å; F254-I264 WeakPolarHBondContact CA-O 3.2Å; I255-I264 HydrophobicContact CB-CB 4.36Å; I255-I264 HydrophobicContact CB-CD1 4.4Å; I255-I264 HydrophobicContact CD1-CD1 4.15Å; I255-I264 PolarHBondContact N-O 2.77Å; I255-I264 PolarHBondContact O-N 3.32Å; I264-V271 HydrophobicContact CG2-CG1 3.82Å; I264-L273 HydrophobicContact CB-CD2 4.26Å; I264-L273 HydrophobicContact CG1-CD2 4.04Å; I264-L273 HydrophobicContact CG2-CD2 3.83Å; I264-C298 HydrophobicContact CD1-CB 4.21Å; I264-C298 HydrophobicContact CG1-CB 4Å; I264-L301 HydrophobicContact CD1-CB 3.96Å; I264-E302 HydrophobicContact CD1-CB 3.62Å; I264-L305 HydrophobicContact CD1-CD1 3.82Å; I264-L305 HydrophobicContact CG1-CD1 4.18Å; I264-L305 HydrophobicContact CG2-CD1 4.33Å
265	Y	98.8	Very high	94.8	Very high	13 Å²	13	24 Å²	24	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	105.8	-174	-62.8	-25.5	0	0	0	109.9	A88 M90 I92 F254 R256 Y263 T272	A88-Y265 HydrophobicContact CB-CD2 3.63Å; A88-Y265 HydrophobicContact CB-CE2 4.06Å; M90-Y265 HydrophobicContact CB-CD2 4.04Å; M90-Y265 HydrophobicContact CB-CE2 3.91Å; M90-Y265 HydrophobicContact CB-CG 4.42Å; M90-Y265 HydrophobicContact CE-CD1 4.31Å; M90-Y265 HydrophobicContact CE-CE1 4.45Å; M90-Y265 HydrophobicContact CG-CD1 3.56Å; M90-Y265 HydrophobicContact CG-CD2 3.23Å; M90-Y265 HydrophobicContact CG-CE1 3.84Å; M90-Y265 HydrophobicContact CG-CE2 3.56Å; M90-Y265 HydrophobicContact CG-CG 3.24Å; M90-Y265 HydrophobicContact SD-CD1 4.24Å; M90-Y265 HydrophobicContact SD-CG 4.16Å; I92-Y265 HydrophobicContact CD1-CE1 4.47Å; F254-Y265 HydrophobicContact CB-CD1 3.95Å; F254-Y265 HydrophobicContact CB-CE1 4.49Å; F254-Y265 HydrophobicContact CD2-CE1 4.43Å; R256-Y265 HydrophobicContact CB-CE1 4.17Å; R256-Y265 VanDerWaalsContact CD-OH 3.29Å; R256-Y265 WeakPolarHBondContact CD-OH 3.48Å; R256-Y265 WeakPolarHBondContact CG-OH 3.37Å; Y263-Y265 HydrophobicContact CD1-CE2 4.37Å; Y263-Y265 HydrophobicContact CD2-CD1 4.45Å; Y263-Y265 AromaticContact CD2-CD2 3.44Å; Y263-Y265 HydrophobicContact CD2-CD2 3.44Å; Y263-Y265 VanDerWaalsContact CD2-CD2 3.44Å; Y263-Y265 HydrophobicContact CD2-CE1 4.4Å; Y263-Y265 AromaticContact CD2-CE2 3.32Å; Y263-Y265 HydrophobicContact CD2-CE2 3.32Å; Y263-Y265 HydrophobicContact CD2-CG 4.03Å; Y263-Y265 AromaticContact CD2-CZ 3.85Å; Y263-Y265 AromaticContact CE2-CD2 3.97Å; Y263-Y265 HydrophobicContact CE2-CD2 3.97Å; Y263-Y265 AromaticContact CE2-CE2 3.89Å; Y263-Y265 HydrophobicContact CE2-CE2 3.89Å; Y263-Y265 HydrophobicContact CG-CD2 4.15Å; Y263-Y265 HydrophobicContact CG-CE1 4.25Å; Y263-Y265 AromaticContact CG-CE2 3.6Å; Y263-Y265 HydrophobicContact CG-CE2 3.6Å; Y263-Y265 AromaticContact CG-CZ 3.66Å; Y265-T272 PolarHBondContact N-O 3.37Å; Y265-T272 PolarHBondContact O-N 3.47Å
266	P	98.4	Very high	94.7	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.058	15%	0.154	C	C	.	.			trans	-67.5	138.7	177.8	32	-36.2	0	0	0	109.6	V132 K180 V251	V132-P266 HydrophobicContact CG2-CG 3.61Å; K180-P266 WeakPolarHBondContact CD-O 3.31Å; K180-P266 WeakPolarHBondContact CE-O 3.39Å; V251-P266 WeakPolarHBondContact O-CB 3.32Å
267	G	95.8	Very high	94.7	Very high	20 Å²	20	27.9 Å²	27.9	21%	0.206	17%	0.167	C	C	.	.			trans	-129.6	171.3	176.8	0	0	0	0	0	110.4	E182 S269 H270	E182-G267 WeakPolarHBondContact OE1-CA 3.31Å; G267-S269 VanDerWaalsContact C-N 3.29Å; G267-S269 PolarHBondContact O-N 3.35Å; G267-H270 VanDerWaalsContact CA-O 3.26Å; G267-H270 WeakPolarHBondContact CA-O 3.38Å; G267-H270 PolarHBondContact N-O 3.08Å; G267-H270 VanDerWaalsContact N-O 3.12Å
268	T	90.6	Very high	94.8	Very high	98 Å²	98	29.5 Å²	29.5	60%	0.601	18%	0.175	S	C	*	.	S	Bend	trans	-66.4	-31.3	-174.6	51.3	0	0	0	0	113.2	E182	E182-T268 PolarHBondContact OE1-N 2.87Å
269	S	89.1	Confident	95.2	Very high	86 Å²	86	36.1 Å²	36.1	60%	0.601	20%	0.195	S	C	*	.	S	Bend	trans	-112.1	-35.2	-179.1	-56.3	0	0	0	0	113.3	G267	G267-S269 VanDerWaalsContact C-N 3.29Å; G267-S269 PolarHBondContact O-N 3.35Å
270	H	95.9	Very high	95.6	Very high	44 Å²	44	35.2 Å²	35.2	20%	0.204	20%	0.195	C	C	.	.			trans	-143.5	149.4	-175.8	-59.6	82.1	0	0	0	109.6	Q245 V246 G267 R312	Q245-H270 HydrophobicContact CB-CB 4.13Å; V246-H270 WeakPolarHBondContact O-CA 3.31Å; G267-H270 VanDerWaalsContact CA-O 3.26Å; G267-H270 WeakPolarHBondContact CA-O 3.38Å; G267-H270 PolarHBondContact N-O 3.08Å; G267-H270 VanDerWaalsContact N-O 3.12Å; H270-R312 PolarHBondContact CD2-NH2 3.37Å; H270-R312 VanDerWaalsContact CD2-NH2 3.31Å; H270-R312 PolarHBondContact CE1-NH2 3.08Å; H270-R312 PolarHBondContact ND1-NH2 3.39Å; H270-R312 PolarHBondContact NE2-NH2 3.36Å
271	V	98.5	Very high	96.1	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.03	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.4	166.7	-176.9	0	0	0	0	107.8	Q245 V246 A248 V251 I264 L273	Q245-V271 WeakPolarHBondContact CA-O 3.37Å; V246-V271 HydrophobicContact CG2-CB 3.96Å; V246-V271 PolarHBondContact N-O 3.46Å; V246-V271 PolarHBondContact O-N 2.73Å; A248-V271 HydrophobicContact CB-CG2 4.06Å; A248-V271 WeakPolarHBondContact O-CG2 3.22Å; V251-V271 HydrophobicContact CB-CG2 4.17Å; V251-V271 HydrophobicContact CG1-CG1 4.41Å; I264-V271 HydrophobicContact CG2-CG1 3.82Å; V271-L273 HydrophobicContact CG1-CD2 3.83Å
272	T	98.6	Very high	96.5	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.3	175.3	-59.7	0	0	0	0	109.3	A88 V243 L244 Y263 Y265	A88-T272 HydrophobicContact CB-CG2 3.81Å; V243-T272 HydrophobicContact CB-CG2 4Å; V243-T272 HydrophobicContact CG1-CG2 4.24Å; V243-T272 HydrophobicContact CG2-CG2 4.27Å; L244-T272 CarbonylContact O-C 3.56Å; L244-T272 WeakPolarHBondContact O-CA 3.44Å; Y263-T272 HydrophobicContact CE2-CG2 4.41Å; Y265-T272 PolarHBondContact N-O 3.37Å; Y265-T272 PolarHBondContact O-N 3.47Å
273	L	98.8	Very high	96.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.6	171.6	-47.5	-177.2	0	0	0	108.7	V243 L244 V246 Y263 I264 V271 I294 L295 C298 L305	V243-L273 CarbonylContact C-O 3.57Å; V243-L273 WeakPolarHBondContact CA-O 3.44Å; V243-L273 WeakPolarHBondContact CB-O 3.25Å; L244-L273 HydrophobicContact CB-CB 4.19Å; L244-L273 PolarHBondContact N-O 3.17Å; L244-L273 PolarHBondContact O-N 2.96Å; V246-L273 HydrophobicContact CG1-CD1 3.78Å; V246-L273 HydrophobicContact CG1-CG 4.25Å; V246-L273 HydrophobicContact CG2-CD1 3.94Å; V246-L273 HydrophobicContact CG2-CD2 4.39Å; V246-L273 HydrophobicContact CG2-CG 4.02Å; Y263-L273 WeakPolarHBondContact O-CA 3.32Å; I264-L273 HydrophobicContact CB-CD2 4.26Å; I264-L273 HydrophobicContact CG1-CD2 4.04Å; I264-L273 HydrophobicContact CG2-CD2 3.83Å; V271-L273 HydrophobicContact CG1-CD2 3.83Å; L273-I294 HydrophobicContact CB-CG2 4.06Å; L273-L295 HydrophobicContact CD1-CD1 4.17Å; L273-C298 HydrophobicContact CB-CB 4.4Å; L273-C298 HydrophobicContact CD1-CB 4.21Å; L273-C298 HydrophobicContact CD2-CB 4.27Å; L273-L305 HydrophobicContact CD1-CD1 4.27Å; L273-L305 HydrophobicContact CD2-CD1 3.75Å; L273-L305 HydrophobicContact CD2-CD2 4.18Å
274	G	95.9	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	179	172.6	0	0	0	0	0	112.9	L261 T262 Y263	L261-G274 CarbonylContact O-C 3.54Å; T262-G274 CarbonylContact C-O 3.47Å; T262-G274 VanDerWaalsContact CA-O 3.31Å; T262-G274 WeakPolarHBondContact CA-O 3.42Å; Y263-G274 VanDerWaalsContact CZ-CA 3.45Å; Y263-G274 PolarHBondContact N-O 3.46Å; Y263-G274 PolarHBondContact O-N 2.92Å
275	G	86.8	Confident	96.5	Very high	2 Å²	2	51 Å²	51	2%	0.021	28%	0.275	C	S	.	.			cis	-161.5	-160.7	-7.4	0	0	0	0	0	111.6	Q242 L261 R297	Q242-G275 VanDerWaalsContact O-CA 3.26Å; Q242-G275 WeakPolarHBondContact O-CA 3.46Å; L261-G275 PolarHBondContact O-N 3.36Å; G275-R297 PolarHBondContact O-NH2 2.94Å; G275-R297 VanDerWaalsContact O-NH2 3.16Å
276	T	96.9	Very high	96.4	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.055	29%	0.293	C	S	.	.			trans	-118	160.4	174.5	67.6	0	0	0	0	111.6	G241 Q242 Q278 N290 I294 R318	G241-T276 WeakPolarHBondContact CA-O 3.42Å; G241-T276 WeakPolarHBondContact CA-OG1 3.44Å; Q242-T276 HydrophobicContact CB-CG2 4.22Å; Q242-T276 PolarHBondContact N-OG1 3.37Å; Q242-T276 PolarHBondContact O-N 3.31Å; T276-Q278 PolarHBondContact OG1-OE1 2.78Å; T276-N290 HydrophobicContact CG2-CB 3.86Å; T276-N290 WeakPolarHBondContact CG2-OD1 3.48Å; T276-I294 HydrophobicContact CG2-CD1 4.17Å; T276-R318 PolarHBondContact O-NH1 3.48Å; T276-R318 VanDerWaalsContact O-NH1 3.1Å; T276-R318 PolarHBondContact O-NH2 3.24Å
277	R	96.8	Very high	96.4	Very high	90 Å²	90	56 Å²	56	34%	0.34	31%	0.306	S	S	.	.			trans	-139.4	73.1	173.6	-65.7	-174	-172.2	178.3	10.3	110.5	V239 R240 S259 G260 L261	V239-R277 HydrophobicContact CG1-CB 4.09Å; R240-R277 WeakPolarHBondContact O-CA 3.49Å; S259-R277 PolarHBondContact O-NH2 3.48Å; G260-R277 VanDerWaalsContact C-NH2 3.3Å; G260-R277 PolarHBondContact O-NH2 3.35Å; L261-R277 HydrophobicContact CD2-CB 4.14Å; L261-R277 HydrophobicContact CD2-CG 3.92Å
278	Q	98.1	Very high	96.5	Very high	49 Å²	49	57.6 Å²	57.6	23%	0.229	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.9	177.6	-62.9	122.2	-24.4	0	0	110.2	V239 R240 T276 D281 N290	V239-Q278 CarbonylContact C-O 3.58Å; V239-Q278 WeakPolarHBondContact CA-O 3.3Å; R240-Q278 HydrophobicContact CB-CB 4.19Å; R240-Q278 PolarHBondContact N-O 3.44Å; R240-Q278 PolarHBondContact O-N 3.26Å; T276-Q278 PolarHBondContact OG1-OE1 2.78Å; Q278-D281 HydrophobicContact CB-CB 3.99Å; Q278-N290 PolarHBondContact NE2-ND2 3.17Å; Q278-N290 PolarHBondContact NE2-OD1 2.94Å
279	K	98.1	Very high	96.9	Very high	168 Å²	168	58.3 Å²	58.3	73%	0.73	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.8	-179.5	-64	-179.1	-179.5	177.4	0	110.4	F237 V239 D281	F237-K279 HydrophobicContact CE2-CB 4.11Å; F237-K279 HydrophobicContact CE2-CG 4.29Å; V239-K279 HydrophobicContact CG2-CG 4.22Å; K279-D281 PolarHBondContact O-N 2.91Å
280	G	98.1	Very high	97.3	Very high	39 Å²	39	55.2 Å²	55.2	40%	0.402	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-3.5	175.2	0	0	0	0	0	114.9	P238	P238-G280 PolarHBondContact O-N 2.76Å
281	D	98.4	Very high	97.5	Very high	53 Å²	53	53.7 Å²	53.7	28%	0.283	28%	0.284	S	S	.	.			trans	-81.3	125.3	177.9	-170.9	-4.1	0	0	0	110.7	R240 Q278 K279 N283 L317	R240-D281 HydrophobicContact CB-CB 3.96Å; R240-D281 VanDerWaalsContact CD-CG 3.47Å; R240-D281 WeakPolarHBondContact CD-OD2 3.47Å; R240-D281 IonicContact NE-OD2 2.79Å; Q278-D281 HydrophobicContact CB-CB 3.99Å; K279-D281 PolarHBondContact O-N 2.91Å; D281-N283 VanDerWaalsContact OD1-CB 3.22Å; D281-N283 WeakPolarHBondContact OD1-CB 3.44Å; D281-N283 PolarHBondContact OD1-N 3.15Å; D281-L317 WeakPolarHBondContact O-CD2 3.26Å
282	W	98.2	Very high	97.4	Very high	134 Å²	134	61 Å²	61	51%	0.508	31%	0.311	S	S	.	.			trans	-100.8	-3	179.9	-66.4	82.8	0	0	0	112.7	L225 P238 L284 L317	L225-W282 HydrophobicContact CD1-CH2 3.9Å; L225-W282 HydrophobicContact CD1-CZ3 4.34Å; L225-W282 HydrophobicContact CD2-CE3 3.97Å; L225-W282 HydrophobicContact CD2-CH2 3.78Å; L225-W282 HydrophobicContact CD2-CZ3 3.35Å; L225-W282 HydrophobicContact CG-CH2 3.77Å; L225-W282 HydrophobicContact CG-CZ3 3.74Å; P238-W282 HydrophobicContact CB-CD2 4.47Å; P238-W282 VanDerWaalsContact CD-CZ2 3.41Å; P238-W282 HydrophobicContact CG-CD2 3.66Å; P238-W282 VanDerWaalsContact CG-CE2 3.42Å; P238-W282 HydrophobicContact CG-CE3 4.27Å; P238-W282 HydrophobicContact CG-CG 3.91Å; P238-W282 HydrophobicContact CG-CH2 4.45Å; P238-W282 HydrophobicContact CG-CZ2 3.86Å; W282-L284 PolarHBondContact O-N 3.4Å; W282-L317 HydrophobicContact CE3-CD1 4.19Å
283	N	98.1	Very high	97.4	Very high	82 Å²	82	64.8 Å²	64.8	44%	0.439	33%	0.329	S	S	.	.			trans	-71.3	119	-175.5	-170.3	-2.6	0	0	0	111.5	R240 D281 S285	R240-N283 VanDerWaalsContact CD-O 3.22Å; R240-N283 WeakPolarHBondContact CD-O 3.19Å; R240-N283 PolarHBondContact NE-O 3.37Å; D281-N283 VanDerWaalsContact OD1-CB 3.22Å; D281-N283 WeakPolarHBondContact OD1-CB 3.44Å; D281-N283 PolarHBondContact OD1-N 3.15Å; N283-S285 WeakPolarHBondContact OD1-CB 3.5Å; N283-S285 PolarHBondContact OD1-N 2.77Å; N283-S285 PolarHBondContact OD1-OG 3.21Å
284	L	97.8	Very high	97.4	Very high	97 Å²	97	64.8 Å²	64.8	51%	0.508	33%	0.329	S	S	.	.			trans	-90.1	-4.2	176.5	-74	173.6	0	0	0	113.5	W282 V315 L317	W282-L284 PolarHBondContact O-N 3.4Å; L284-V315 HydrophobicContact CD2-CG1 4.35Å; L284-V315 WeakPolarHBondContact O-CB 3.45Å; L284-L317 HydrophobicContact CD2-CD1 4.15Å; L284-L317 HydrophobicContact CD2-CD2 4.14Å; L284-L317 HydrophobicContact CD2-CG 3.7Å; L284-L317 HydrophobicContact CG-CD1 4.33Å; L284-L317 HydrophobicContact CG-CG 4.39Å
285	S	98.2	Very high	97.5	Very high	69 Å²	69	67.3 Å²	67.3	48%	0.483	34%	0.342	S	S	.	.	S	Bend	trans	-73.3	133.3	176.3	-48.5	0	0	0	0	109.6	R240 N283	R240-S285 PolarHBondContact NH2-O 2.94Å; N283-S285 WeakPolarHBondContact OD1-CB 3.5Å; N283-S285 PolarHBondContact OD1-N 2.77Å; N283-S285 PolarHBondContact OD1-OG 3.21Å
286	P	98.1	Very high	98	Very high	65 Å²	65	71.1 Å²	71.1	42%	0.422	37%	0.368	S	S	.	.			trans	-56.6	143.1	167.2	-24	34.5	0	0	0	111.2	E313 V315	P286-E313 HydrophobicContact CB-CB 3.79Å; P286-E313 HydrophobicContact CB-CG 4.39Å; P286-E313 HydrophobicContact CG-CB 3.92Å; P286-V315 HydrophobicContact CB-CG2 4.33Å; P286-V315 HydrophobicContact CG-CG2 4.17Å
287	D	98.4	Very high	98.1	Very high	62 Å²	62	74.2 Å²	74.2	33%	0.332	38%	0.379	S	S	.	.			trans	-114.2	126.5	175.5	168.4	-103	0	0	0	109.8	Q242 E289 N290 S291	Q242-D287 PolarHBondContact NE2-O 3.25Å; D287-E289 VanDerWaalsContact C-N 3.3Å; D287-E289 PolarHBondContact O-N 3.47Å; D287-E289 PolarHBondContact OD1-N 2.93Å; D287-N290 HydrophobicContact CB-CB 4.3Å; D287-N290 WeakPolarHBondContact CB-ND2 3.49Å; D287-N290 PolarHBondContact O-N 3.3Å; D287-N290 WeakPolarHBondContact OD1-CB 3.36Å; D287-N290 VanDerWaalsContact OD1-CG 3.23Å; D287-N290 PolarHBondContact OD1-N 2.96Å; D287-N290 PolarHBondContact OD1-ND2 2.8Å; D287-S291 PolarHBondContact O-N 3.09Å; D287-S291 VanDerWaalsContact O-N 3.14Å; D287-S291 PolarHBondContact O-OG 3.4Å
288	A	98.1	Very high	98.2	Very high	53 Å²	53	70 Å²	70	44%	0.438	36%	0.363	S	S	.	.	H	α-helix	trans	-68	-29.9	-170.5	0	0	0	0	0	112.9	S291 R292	A288-S291 PolarHBondContact O-N 3.44Å; A288-R292 WeakPolarHBondContact O-CG 3.18Å; A288-R292 PolarHBondContact O-N 3.13Å
289	E	98.3	Very high	98.2	Very high	112 Å²	112	68.1 Å²	68.1	52%	0.523	36%	0.355	S	S	.	.	H	α-helix	trans	-68.3	-48.9	176.2	-176.3	164.9	-137.7	0	0	110.9	D287 S291 R292 E293	D287-E289 VanDerWaalsContact C-N 3.3Å; D287-E289 PolarHBondContact O-N 3.47Å; D287-E289 PolarHBondContact OD1-N 2.93Å; E289-S291 PolarHBondContact O-N 3.22Å; E289-R292 PolarHBondContact O-N 2.97Å; E289-R292 VanDerWaalsContact O-N 3.1Å; E289-E293 WeakPolarHBondContact O-CG 3.35Å; E289-E293 PolarHBondContact O-N 3.49Å
290	N	98.3	Very high	98.1	Very high	22 Å²	22	63.6 Å²	63.6	12%	0.118	35%	0.349	C	S	.	.	H	α-helix	trans	-53.9	-39.6	173.2	-73.6	-61	0	0	0	112	R240 T276 Q278 D287 I294	R240-N290 PolarHBondContact NH1-ND2 3.16Å; T276-N290 HydrophobicContact CG2-CB 3.86Å; T276-N290 WeakPolarHBondContact CG2-OD1 3.48Å; Q278-N290 PolarHBondContact NE2-ND2 3.17Å; Q278-N290 PolarHBondContact NE2-OD1 2.94Å; D287-N290 HydrophobicContact CB-CB 4.3Å; D287-N290 WeakPolarHBondContact CB-ND2 3.49Å; D287-N290 PolarHBondContact O-N 3.3Å; D287-N290 WeakPolarHBondContact OD1-CB 3.36Å; D287-N290 VanDerWaalsContact OD1-CG 3.23Å; D287-N290 PolarHBondContact OD1-N 2.96Å; D287-N290 PolarHBondContact OD1-ND2 2.8Å; N290-I294 WeakPolarHBondContact O-CB 3.39Å; N290-I294 WeakPolarHBondContact O-CD1 3.4Å; N290-I294 WeakPolarHBondContact O-CG1 2.94Å; N290-I294 PolarHBondContact O-N 3.21Å
291	S	98.3	Very high	98	Very high	12 Å²	12	62.4 Å²	62.4	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-65.7	-46.2	176.6	-71.1	0	0	0	0	113.2	Q242 L244 D287 A288 E289 E293 I294 L295 E313	Q242-S291 PolarHBondContact NE2-OG 3.39Å; L244-S291 WeakPolarHBondContact CD2-OG 3.31Å; D287-S291 PolarHBondContact O-N 3.09Å; D287-S291 VanDerWaalsContact O-N 3.14Å; D287-S291 PolarHBondContact O-OG 3.4Å; A288-S291 PolarHBondContact O-N 3.44Å; E289-S291 PolarHBondContact O-N 3.22Å; S291-E293 VanDerWaalsContact C-N 3.3Å; S291-E293 PolarHBondContact O-N 3Å; S291-I294 PolarHBondContact O-N 3.42Å; S291-L295 WeakPolarHBondContact O-CB 3.42Å; S291-L295 PolarHBondContact O-N 3.44Å; S291-E313 VanDerWaalsContact CB-OE1 3.23Å; S291-E313 WeakPolarHBondContact CB-OE1 3.5Å; S291-E313 PolarHBondContact OG-OE1 3.28Å
292	R	98.1	Very high	98	Very high	157 Å²	157	61.2 Å²	61.2	59%	0.592	33%	0.327	S	S	*	.	H	α-helix	trans	-59.1	-44.3	176.1	-73.8	-172.8	-62.9	-92.3	2.9	111.2	A288 E289 S296	A288-R292 WeakPolarHBondContact O-CG 3.18Å; A288-R292 PolarHBondContact O-N 3.13Å; E289-R292 PolarHBondContact O-N 2.97Å; E289-R292 VanDerWaalsContact O-N 3.1Å; R292-S296 VanDerWaalsContact O-CB 3.31Å; R292-S296 WeakPolarHBondContact O-CB 3.45Å; R292-S296 PolarHBondContact O-N 3.04Å
293	E	98.1	Very high	98	Very high	85 Å²	85	58.8 Å²	58.8	40%	0.397	33%	0.328	S	S	.	.	H	α-helix	trans	-67.9	-44.2	-180	-68.6	-174.9	-179.2	0	0	113.1	E289 S291 L295 S296 R297	E289-E293 WeakPolarHBondContact O-CG 3.35Å; E289-E293 PolarHBondContact O-N 3.49Å; S291-E293 VanDerWaalsContact C-N 3.3Å; S291-E293 PolarHBondContact O-N 3Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-L295 PolarHBondContact O-N 3.23Å; E293-S296 PolarHBondContact O-N 3.09Å; E293-R297 WeakPolarHBondContact O-CG 3.1Å; E293-R297 PolarHBondContact O-N 3.24Å; E293-R297 IonicContact OE2-NH1 2.82Å; E293-R297 PolarHBondContact OE2-NH1 3.26Å
294	I	98.5	Very high	98	Very high	1 Å²	1	57 Å²	57	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-57.1	-50.9	175.7	-72.2	163.7	0	0	0	109.3	Q242 L244 L273 T276 N290 S291 S296 R297 C298	Q242-I294 HydrophobicContact CB-CD1 4.29Å; Q242-I294 HydrophobicContact CG-CD1 4.32Å; Q242-I294 WeakPolarHBondContact O-CD1 3.19Å; L244-I294 HydrophobicContact CD1-CB 4.24Å; L244-I294 HydrophobicContact CD1-CG2 3.92Å; L244-I294 HydrophobicContact CG-CB 4.44Å; L244-I294 HydrophobicContact CG-CG2 3.97Å; L273-I294 HydrophobicContact CB-CG2 4.06Å; T276-I294 HydrophobicContact CG2-CD1 4.17Å; N290-I294 WeakPolarHBondContact O-CB 3.39Å; N290-I294 WeakPolarHBondContact O-CD1 3.4Å; N290-I294 WeakPolarHBondContact O-CG1 2.94Å; N290-I294 PolarHBondContact O-N 3.21Å; S291-I294 PolarHBondContact O-N 3.42Å; I294-S296 PolarHBondContact O-N 3.23Å; I294-R297 PolarHBondContact O-N 3.09Å; I294-C298 WeakPolarHBondContact O-CB 3.28Å; I294-C298 PolarHBondContact O-N 3.28Å; I294-C298 PolarHBondContact O-SG 2.96Å; I294-C298 VanDerWaalsContact O-SG 3.35Å
295	L	98.3	Very high	98	Very high	53 Å²	53	52.5 Å²	52.5	28%	0.277	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-46.5	-179.2	-175.5	63	0	0	0	111.1	L244 L273 S291 E293 R297 C298 C299 I311	L244-L295 HydrophobicContact CD1-CB 3.96Å; L273-L295 HydrophobicContact CD1-CD1 4.17Å; S291-L295 WeakPolarHBondContact O-CB 3.42Å; S291-L295 PolarHBondContact O-N 3.44Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-L295 PolarHBondContact O-N 3.23Å; L295-R297 PolarHBondContact O-N 3.23Å; L295-C298 PolarHBondContact O-N 3.19Å; L295-C299 WeakPolarHBondContact O-CB 3.43Å; L295-C299 PolarHBondContact O-N 3.22Å; L295-C299 PolarHBondContact O-SG 3Å; L295-C299 VanDerWaalsContact O-SG 3.36Å; L295-I311 HydrophobicContact CD2-CD1 4.24Å
296	S	97.8	Very high	97.9	Very high	82 Å²	82	56.1 Å²	56.1	57%	0.573	31%	0.307	S	S	*	.	H	α-helix	trans	-58.5	-46.4	179	-176.8	0	0	0	0	112.3	R292 E293 I294 A300	R292-S296 VanDerWaalsContact O-CB 3.31Å; R292-S296 WeakPolarHBondContact O-CB 3.45Å; R292-S296 PolarHBondContact O-N 3.04Å; E293-S296 PolarHBondContact O-N 3.09Å; I294-S296 PolarHBondContact O-N 3.23Å; S296-A300 WeakPolarHBondContact O-CB 3.25Å; S296-A300 PolarHBondContact O-N 2.75Å; S296-A300 VanDerWaalsContact O-N 3.08Å
297	R	97.8	Very high	97.8	Very high	74 Å²	74	55.5 Å²	55.5	28%	0.279	31%	0.313	S	S	.	.	H	α-helix	trans	-67.9	-41.1	179.2	-67	-168	-56.3	-91.3	-0.4	111.9	T262 G275 E293 I294 L295 A300 L301	T262-R297 HydrophobicContact CG2-CB 3.74Å; T262-R297 WeakPolarHBondContact OG1-CD 3.42Å; T262-R297 PolarHBondContact OG1-NE 3.18Å; T262-R297 VanDerWaalsContact OG1-NE 3.17Å; G275-R297 PolarHBondContact O-NH2 2.94Å; G275-R297 VanDerWaalsContact O-NH2 3.16Å; E293-R297 WeakPolarHBondContact O-CG 3.1Å; E293-R297 PolarHBondContact O-N 3.24Å; E293-R297 IonicContact OE2-NH1 2.82Å; E293-R297 PolarHBondContact OE2-NH1 3.26Å; I294-R297 PolarHBondContact O-N 3.09Å; L295-R297 PolarHBondContact O-N 3.23Å; R297-A300 PolarHBondContact O-N 3.23Å; R297-L301 PolarHBondContact O-N 3.19Å
298	C	98.4	Very high	97.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-43.1	177.8	-71.4	0	0	0	0	112.1	I264 L273 I294 L295 A300 L301 E302 L305	I264-C298 HydrophobicContact CD1-CB 4.21Å; I264-C298 HydrophobicContact CG1-CB 4Å; L273-C298 HydrophobicContact CB-CB 4.4Å; L273-C298 HydrophobicContact CD1-CB 4.21Å; L273-C298 HydrophobicContact CD2-CB 4.27Å; I294-C298 WeakPolarHBondContact O-CB 3.28Å; I294-C298 PolarHBondContact O-N 3.28Å; I294-C298 PolarHBondContact O-SG 2.96Å; I294-C298 VanDerWaalsContact O-SG 3.35Å; L295-C298 PolarHBondContact O-N 3.19Å; C298-A300 VanDerWaalsContact C-N 3.27Å; C298-A300 PolarHBondContact O-N 2.7Å; C298-L301 PolarHBondContact O-N 3.24Å; C298-L301 VanDerWaalsContact O-N 3.09Å; C298-E302 PolarHBondContact O-N 3.16Å; C298-L305 HydrophobicContact CB-CD1 3.96Å
299	C	98	Very high	97.6	Very high	10 Å²	10	54 Å²	54	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-29.4	175.3	-73.2	0	0	0	0	112.9	L295 L301 E302 P303	L295-C299 WeakPolarHBondContact O-CB 3.43Å; L295-C299 PolarHBondContact O-N 3.22Å; L295-C299 PolarHBondContact O-SG 3Å; L295-C299 VanDerWaalsContact O-SG 3.36Å; C299-L301 VanDerWaalsContact C-N 3.32Å; C299-E302 CarbonylContact O-C 3.56Å; C299-P303 VanDerWaalsContact O-CA 3.28Å; C299-P303 WeakPolarHBondContact O-CA 3.38Å
300	A	96.6	Very high	97.5	Very high	73 Å²	73	52.8 Å²	52.8	60%	0.603	30%	0.301	S	S	*	.	H	α-helix	trans	-68	-31.6	172.5	0	0	0	0	0	112.6	S296 R297 C298	S296-A300 WeakPolarHBondContact O-CB 3.25Å; S296-A300 PolarHBondContact O-N 2.75Å; S296-A300 VanDerWaalsContact O-N 3.08Å; R297-A300 PolarHBondContact O-N 3.23Å; C298-A300 VanDerWaalsContact C-N 3.27Å; C298-A300 PolarHBondContact O-N 2.7Å
301	L	96.8	Very high	97.4	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-83.1	-36.4	176.9	-69.5	-174.8	0	0	0	113.6	I137 Y170 I255 T262 I264 R297 C298 C299	I137-L301 HydrophobicContact CD1-CD1 4.41Å; I137-L301 HydrophobicContact CD1-CD2 3.78Å; Y170-L301 HydrophobicContact CD2-CD2 4.42Å; Y170-L301 HydrophobicContact CE2-CD2 3.42Å; Y170-L301 VanDerWaalsContact CE2-CD2 3.42Å; I255-L301 HydrophobicContact CG2-CD1 4.03Å; T262-L301 HydrophobicContact CG2-CD1 3.51Å; T262-L301 HydrophobicContact CG2-CG 4.35Å; I264-L301 HydrophobicContact CD1-CB 3.96Å; R297-L301 PolarHBondContact O-N 3.19Å; C298-L301 PolarHBondContact O-N 3.24Å; C298-L301 VanDerWaalsContact O-N 3.09Å; C299-L301 VanDerWaalsContact C-N 3.32Å
302	E	97.8	Very high	97.4	Very high	28 Å²	28	59.9 Å²	59.9	13%	0.131	33%	0.33	C	S	.	.			trans	-134.6	87.5	-180	-176.2	49.9	-116.2	0	0	108.8	K166 V251 I255 I264 C298 C299 S304 L305	K166-E302 WeakPolarHBondContact CE-OE2 3.47Å; K166-E302 IonicContact NZ-OE2 3.46Å; K166-E302 PolarHBondContact NZ-OE2 3.25Å; V251-E302 HydrophobicContact CG2-CG 4.23Å; I255-E302 HydrophobicContact CD1-CB 4.11Å; I264-E302 HydrophobicContact CD1-CB 3.62Å; C298-E302 PolarHBondContact O-N 3.16Å; C299-E302 CarbonylContact O-C 3.56Å; E302-S304 WeakPolarHBondContact CG-OG 3.46Å; E302-S304 PolarHBondContact O-N 2.99Å; E302-S304 WeakPolarHBondContact OE1-CB 3.35Å; E302-S304 PolarHBondContact OE1-OG 3.14Å; E302-L305 HydrophobicContact CB-CD1 4Å; E302-L305 HydrophobicContact CB-CG 4.21Å; E302-L305 HydrophobicContact CG-CD1 4.41Å; E302-L305 HydrophobicContact CG-CG 4.15Å; E302-L305 VanDerWaalsContact O-CB 3.31Å; E302-L305 WeakPolarHBondContact O-CB 3.49Å; E302-L305 WeakPolarHBondContact O-CG 3.34Å; E302-L305 PolarHBondContact O-N 3.11Å
303	P	97.7	Very high	97.3	Very high	83 Å²	83	56.4 Å²	56.4	54%	0.539	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-58.6	-22.2	-175	-28.3	36.5	0	0	0	114.6	C299 L305 H306	C299-P303 VanDerWaalsContact O-CA 3.28Å; C299-P303 WeakPolarHBondContact O-CA 3.38Å; P303-L305 PolarHBondContact O-N 2.86Å; P303-L305 VanDerWaalsContact O-N 3.14Å; P303-H306 PolarHBondContact O-N 3.23Å; P303-H306 PolarHBondContact O-ND1 3.2Å
304	S	97.8	Very high	97.3	Very high	44 Å²	44	56.9 Å²	56.9	31%	0.308	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-62.3	-17.8	174.6	69.2	0	0	0	0	113.4	W250 E302 H306 G307	W250-S304 PolarHBondContact NE1-OG 3.13Å; E302-S304 WeakPolarHBondContact CG-OG 3.46Å; E302-S304 PolarHBondContact O-N 2.99Å; E302-S304 WeakPolarHBondContact OE1-CB 3.35Å; E302-S304 PolarHBondContact OE1-OG 3.14Å; S304-H306 PolarHBondContact O-N 3.41Å; S304-G307 PolarHBondContact O-N 2.91Å
305	L	98.3	Very high	97.3	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.016	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-67.3	-13.8	176.2	-71.6	173.3	0	0	0	114.2	V246 A248 V251 I264 L273 C298 E302 P303 G307 A308	V246-L305 HydrophobicContact CG2-CD2 4.36Å; A248-L305 HydrophobicContact CB-CD2 3.91Å; V251-L305 HydrophobicContact CG2-CD2 4.06Å; I264-L305 HydrophobicContact CD1-CD1 3.82Å; I264-L305 HydrophobicContact CG1-CD1 4.18Å; I264-L305 HydrophobicContact CG2-CD1 4.33Å; L273-L305 HydrophobicContact CD1-CD1 4.27Å; L273-L305 HydrophobicContact CD2-CD1 3.75Å; L273-L305 HydrophobicContact CD2-CD2 4.18Å; C298-L305 HydrophobicContact CB-CD1 3.96Å; E302-L305 HydrophobicContact CB-CD1 4Å; E302-L305 HydrophobicContact CB-CG 4.21Å; E302-L305 HydrophobicContact CG-CD1 4.41Å; E302-L305 HydrophobicContact CG-CG 4.15Å; E302-L305 VanDerWaalsContact O-CB 3.31Å; E302-L305 WeakPolarHBondContact O-CB 3.49Å; E302-L305 WeakPolarHBondContact O-CG 3.34Å; E302-L305 PolarHBondContact O-N 3.11Å; P303-L305 PolarHBondContact O-N 2.86Å; P303-L305 VanDerWaalsContact O-N 3.14Å; L305-G307 PolarHBondContact O-N 3.09Å; L305-A308 HydrophobicContact CD2-CB 4.39Å; L305-A308 WeakPolarHBondContact O-CB 3.48Å; L305-A308 PolarHBondContact O-N 3.37Å
306	H	96.3	Very high	97.3	Very high	145 Å²	145	55.4 Å²	55.4	67%	0.671	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-59.9	-25.3	171.3	-68.3	92.2	0	0	0	112.5	P303 S304	P303-H306 PolarHBondContact O-N 3.23Å; P303-H306 PolarHBondContact O-ND1 3.2Å; S304-H306 PolarHBondContact O-N 3.41Å
307	G	95.2	Very high	97.3	Very high	52 Å²	52	52.2 Å²	52.2	54%	0.536	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-88.7	1.8	175.1	0	0	0	0	0	114.8	S304 L305	S304-G307 PolarHBondContact O-N 2.91Å; L305-G307 PolarHBondContact O-N 3.09Å
308	A	96.8	Very high	97.3	Very high	18 Å²	18	50.6 Å²	50.6	15%	0.149	29%	0.286	C	S	.	.			trans	-68.8	146.1	-178.3	0	0	0	0	0	111.7	V246 A248 L305	V246-A308 HydrophobicContact CB-CB 4.12Å; V246-A308 HydrophobicContact CG2-CB 4.04Å; A248-A308 HydrophobicContact CB-CB 4.06Å; L305-A308 HydrophobicContact CD2-CB 4.39Å; L305-A308 WeakPolarHBondContact O-CB 3.48Å; L305-A308 PolarHBondContact O-N 3.37Å
309	C	96	Very high	97.3	Very high	66 Å²	66	51.5 Å²	51.5	45%	0.446	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	177.3	179.8	66.4	0	0	0	0	112	Q247 I311	Q247-C309 PolarHBondContact N-O 2.85Å; Q247-C309 PolarHBondContact O-N 2.94Å; C309-I311 PolarHBondContact O-N 3.31Å
310	N	96.2	Very high	97.4	Very high	85 Å²	85	54.3 Å²	54.3	46%	0.455	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.3	50.2	177.5	-166.3	23.5	0	0	0	113.6	Q247 R312	Q247-N310 HydrophobicContact CB-CB 4.38Å; N310-R312 PolarHBondContact O-N 2.9Å
311	I	96.6	Very high	97.4	Very high	84 Å²	84	52.4 Å²	52.4	43%	0.431	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	119.3	-179.5	-54.9	176.6	0	0	0	109.2	L244 Q245 V246 L295 C309	L244-I311 HydrophobicContact CB-CG2 4.24Å; L244-I311 HydrophobicContact CD1-CG2 4.27Å; L244-I311 HydrophobicContact CD2-CG2 4.3Å; Q245-I311 WeakPolarHBondContact O-CA 3.26Å; V246-I311 HydrophobicContact CG1-CB 4.28Å; V246-I311 HydrophobicContact CG1-CG1 3.84Å; V246-I311 HydrophobicContact CG1-CG2 4.16Å; L295-I311 HydrophobicContact CD2-CD1 4.24Å; C309-I311 PolarHBondContact O-N 3.31Å
312	R	97.4	Very high	97.5	Very high	100 Å²	100	53.3 Å²	53.3	38%	0.377	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.9	177.7	-61.8	-178.6	-63.2	164.1	9.6	110.3	L244 Q245 H270 N310	L244-R312 CarbonylContact C-O 3.49Å; L244-R312 WeakPolarHBondContact CA-O 3.29Å; Q245-R312 HydrophobicContact CB-CB 4.48Å; Q245-R312 PolarHBondContact N-O 3.06Å; Q245-R312 PolarHBondContact O-N 2.98Å; H270-R312 PolarHBondContact CD2-NH2 3.37Å; H270-R312 VanDerWaalsContact CD2-NH2 3.31Å; H270-R312 PolarHBondContact CE1-NH2 3.08Å; H270-R312 PolarHBondContact ND1-NH2 3.39Å; H270-R312 PolarHBondContact NE2-NH2 3.36Å; N310-R312 PolarHBondContact O-N 2.9Å
313	E	97.8	Very high	97.5	Very high	84 Å²	84	52.1 Å²	52.1	39%	0.393	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.1	-179.4	-60	165.9	123.6	0	0	110.5	L244 P286 S291	L244-E313 HydrophobicContact CD2-CB 4.44Å; L244-E313 HydrophobicContact CD2-CG 3.69Å; P286-E313 HydrophobicContact CB-CB 3.79Å; P286-E313 HydrophobicContact CB-CG 4.39Å; P286-E313 HydrophobicContact CG-CB 3.92Å; S291-E313 VanDerWaalsContact CB-OE1 3.23Å; S291-E313 WeakPolarHBondContact CB-OE1 3.5Å; S291-E313 PolarHBondContact OG-OE1 3.28Å
314	K	97.4	Very high	97.5	Very high	95 Å²	95	48.8 Å²	48.8	41%	0.413	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.9	172.4	-70.9	-74.6	-170.4	168.8	0	109.9	V86 Q242 V243	V86-K314 HydrophobicContact CG1-CB 3.86Å; Q242-K314 WeakPolarHBondContact CA-O 3.46Å; V243-K314 HydrophobicContact CG2-CB 3.85Å; V243-K314 PolarHBondContact N-O 2.91Å; V243-K314 PolarHBondContact O-N 2.81Å
315	V	98.3	Very high	97.5	Very high	15 Å²	15	48.2 Å²	48.2	9%	0.091	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.7	177.5	-177.9	0	0	0	0	109.4	R240 G241 Q242 L284 P286	R240-V315 HydrophobicContact CG-CG1 3.77Å; G241-V315 WeakPolarHBondContact O-CA 3.42Å; Q242-V315 HydrophobicContact CB-CG2 4.2Å; Q242-V315 HydrophobicContact CG-CG2 3.99Å; L284-V315 HydrophobicContact CD2-CG1 4.35Å; L284-V315 WeakPolarHBondContact O-CB 3.45Å; P286-V315 HydrophobicContact CB-CG2 4.33Å; P286-V315 HydrophobicContact CG-CG2 4.17Å
316	G	97.8	Very high	97.6	Very high	8 Å²	8	49.8 Å²	49.8	8%	0.082	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.1	177.2	0	0	0	0	0	111.5	G241	G241-G316 PolarHBondContact N-O 3.12Å; G241-G316 PolarHBondContact O-N 3.36Å
317	L	98.6	Very high	97.7	Very high	15 Å²	15	47 Å²	47	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	105.2	178.8	-55.2	-176.7	0	0	0	109.6	T83 L225 P238 R240 D281 W282 L284	T83-L317 VanDerWaalsContact CG2-O 3.28Å; T83-L317 WeakPolarHBondContact CG2-O 3.19Å; L225-L317 HydrophobicContact CD2-CB 4Å; L225-L317 HydrophobicContact CD2-CD1 4.12Å; P238-L317 HydrophobicContact CB-CB 4.03Å; P238-L317 HydrophobicContact CB-CD1 4.33Å; P238-L317 HydrophobicContact CB-CD2 4.37Å; P238-L317 HydrophobicContact CB-CG 4.46Å; R240-L317 HydrophobicContact CB-CD2 3.81Å; R240-L317 HydrophobicContact CG-CD2 4.08Å; D281-L317 WeakPolarHBondContact O-CD2 3.26Å; W282-L317 HydrophobicContact CE3-CD1 4.19Å; L284-L317 HydrophobicContact CD2-CD1 4.15Å; L284-L317 HydrophobicContact CD2-CD2 4.14Å; L284-L317 HydrophobicContact CD2-CG 3.7Å; L284-L317 HydrophobicContact CG-CD1 4.33Å; L284-L317 HydrophobicContact CG-CG 4.39Å
318	R	98.3	Very high	97.8	Very high	39 Å²	39	47.2 Å²	47.2	15%	0.147	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127	178.8	-56.6	178.7	-171.7	90.6	-7.4	109	P238 V239 R240 T276 Y320 S348	P238-R318 WeakPolarHBondContact CA-O 3.31Å; V239-R318 HydrophobicContact CB-CB 4.24Å; V239-R318 PolarHBondContact N-O 3.08Å; V239-R318 WeakPolarHBondContact O-CB 3.46Å; V239-R318 WeakPolarHBondContact O-CG 3.32Å; V239-R318 PolarHBondContact O-N 2.9Å; V239-R318 PolarHBondContact O-NH1 3.32Å; R240-R318 PolarHBondContact O-NH1 3.34Å; T276-R318 PolarHBondContact O-NH1 3.48Å; T276-R318 VanDerWaalsContact O-NH1 3.1Å; T276-R318 PolarHBondContact O-NH2 3.24Å; R318-Y320 PolarHBondContact O-N 2.76Å; R318-S348 WeakPolarHBondContact CD-OG 3.36Å
319	P	98.4	Very high	97.9	Very high	20 Å²	20	49.4 Å²	49.4	13%	0.13	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	72.3	-178.6	31.8	-35	0	0	0	110.4	L225 I236 G345 H346 G347	L225-P319 HydrophobicContact CB-CB 4.19Å; I236-P319 HydrophobicContact CD1-CB 3.84Å; P319-G345 CarbonylContact O-C 3.5Å; P319-G345 VanDerWaalsContact O-CA 3.26Å; P319-G345 WeakPolarHBondContact O-CA 3.31Å; P319-H346 PolarHBondContact O-N 2.73Å; P319-G347 WeakPolarHBondContact O-CA 3.37Å; P319-G347 PolarHBondContact O-N 3.44Å
320	Y	98.6	Very high	98	Very high	69 Å²	69	50.7 Å²	50.7	27%	0.271	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.1	-173	179.1	-86.4	0	0	0	111.4	I236 F237 V239 R318 P322	I236-Y320 VanDerWaalsContact CA-O 3.25Å; I236-Y320 WeakPolarHBondContact CA-O 3.41Å; F237-Y320 HydrophobicContact CD1-CD1 4.05Å; F237-Y320 AromaticContact CE1-CD1 3.28Å; F237-Y320 HydrophobicContact CE1-CD1 3.28Å; F237-Y320 AromaticContact CE1-CE1 3.63Å; F237-Y320 HydrophobicContact CE1-CE1 3.63Å; F237-Y320 HydrophobicContact CE1-CG 4.43Å; F237-Y320 AromaticContact CE2-CD1 3.93Å; F237-Y320 HydrophobicContact CE2-CD1 3.93Å; F237-Y320 HydrophobicContact CE2-CG 4.47Å; F237-Y320 AromaticContact CZ-CD1 3.19Å; F237-Y320 HydrophobicContact CZ-CD1 3.19Å; F237-Y320 AromaticContact CZ-CE1 3.55Å; F237-Y320 HydrophobicContact CZ-CE1 3.55Å; F237-Y320 HydrophobicContact CZ-CG 4.1Å; F237-Y320 PolarHBondContact N-O 3.08Å; F237-Y320 PolarHBondContact O-N 3.06Å; V239-Y320 HydrophobicContact CG2-CG 4.08Å; R318-Y320 PolarHBondContact O-N 2.76Å; Y320-P322 HydrophobicContact CE1-CG 4.4Å
321	R	98.4	Very high	98	Very high	32 Å²	32	48.3 Å²	48.3	12%	0.121	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.3	165.7	-171.4	178.2	179.1	-86.7	4	107.1	D233 K235 I236 G323	D233-R321 IonicContact OD2-CZ 4Å; D233-R321 IonicContact OD2-NE 3.22Å; D233-R321 PolarHBondContact OD2-NE 3.13Å; D233-R321 VanDerWaalsContact OD2-NE 3.17Å; D233-R321 IonicContact OD2-NH2 2.75Å; K235-R321 HydrophobicContact CB-CG 4.13Å; I236-R321 HydrophobicContact CB-CB 4.39Å; R321-G323 WeakPolarHBondContact CB-O 3.3Å; R321-G323 VanDerWaalsContact CD-O 3.23Å; R321-G323 WeakPolarHBondContact CD-O 3.49Å; R321-G323 WeakPolarHBondContact CG-O 3.43Å; R321-G323 PolarHBondContact NH1-O 3.49Å; R321-G323 PolarHBondContact O-N 2.88Å; R321-G323 VanDerWaalsContact O-N 3.17Å
322	P	97.8	Very high	98	Very high	35 Å²	35	48.2 Å²	48.2	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	-32.9	-179.6	-31.5	38.3	0	0	0	114.8	Y96 P97 D98 Y320	Y96-P322 CarbonylContact C-O 3.53Å; P97-P322 WeakPolarHBondContact CD-O 3.37Å; P97-P322 VanDerWaalsContact N-O 3.15Å; D98-P322 HydrophobicContact CB-CB 4.18Å; D98-P322 PolarHBondContact N-O 3.01Å; D98-P322 VanDerWaalsContact OD2-CB 3.25Å; D98-P322 WeakPolarHBondContact OD2-CB 3.37Å; Y320-P322 HydrophobicContact CE1-CG 4.4Å
323	G	97	Very high	98	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.8	167.9	0	0	0	0	0	110.3	R321 R325	R321-G323 WeakPolarHBondContact CB-O 3.3Å; R321-G323 VanDerWaalsContact CD-O 3.23Å; R321-G323 WeakPolarHBondContact CD-O 3.49Å; R321-G323 WeakPolarHBondContact CG-O 3.43Å; R321-G323 PolarHBondContact NH1-O 3.49Å; R321-G323 PolarHBondContact O-N 2.88Å; R321-G323 VanDerWaalsContact O-N 3.17Å; G323-R325 PolarHBondContact O-N 2.57Å
324	V	98.4	Very high	97.8	Very high	14 Å²	14	51.7 Å²	51.7	9%	0.085	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	129	172.5	-177.7	0	0	0	0	108.4	Y96 W107 L326 Y344	Y96-V324 HydrophobicContact CD1-CG2 4.02Å; Y96-V324 HydrophobicContact CE1-CG2 3.63Å; W107-V324 HydrophobicContact CZ3-CB 4.39Å; W107-V324 HydrophobicContact CZ3-CG2 4.28Å; V324-L326 HydrophobicContact CG1-CB 4.35Å; V324-L326 PolarHBondContact O-N 3Å; V324-Y344 WeakPolarHBondContact CG1-O 3.37Å
325	R	98.7	Very high	97.5	Very high	31 Å²	31	51.2 Å²	51.2	12%	0.117	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	106.5	170.4	-172.4	161.2	167.2	-173.5	1.1	107.4	D233 G323 Q327 E329 H342 H343 Y344	D233-R325 WeakPolarHBondContact OD2-CD 3.43Å; D233-R325 IonicContact OD2-NH1 3.5Å; D233-R325 PolarHBondContact OD2-NH1 3.11Å; G323-R325 PolarHBondContact O-N 2.57Å; R325-Q327 HydrophobicContact CG-CG 4.11Å; R325-E329 IonicContact CZ-OE2 2.78Å; R325-E329 IonicContact NH2-OE2 3.85Å; R325-E329 PolarHBondContact NH2-OE2 2.89Å; R325-H342 HydrophobicContact CG-CB 4Å; R325-H342 CarbonylContact O-C 3.58Å; R325-H343 VanDerWaalsContact O-CA 3.22Å; R325-H343 WeakPolarHBondContact O-CA 3.2Å; R325-H343 PolarHBondContact O-N 3.46Å; R325-Y344 HydrophobicContact CB-CD2 4.38Å; R325-Y344 HydrophobicContact CB-CE1 4.45Å; R325-Y344 HydrophobicContact CB-CE2 4.05Å; R325-Y344 VanDerWaalsContact CD-OH 3.3Å; R325-Y344 WeakPolarHBondContact CD-OH 3.41Å; R325-Y344 PolarHBondContact N-O 3.17Å; R325-Y344 PolarHBondContact NH1-OH 3.26Å; R325-Y344 PolarHBondContact O-N 3.31Å; R325-Y344 VanDerWaalsContact O-N 3.1Å
326	L	98.8	Very high	97.3	Very high	36 Å²	36	56.9 Å²	56.9	19%	0.188	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	88.8	-178.3	-171.1	65.6	0	0	0	109	W107 V324 H342 H343 E360 A361 L364	W107-L326 HydrophobicContact CH2-CD2 4.48Å; W107-L326 HydrophobicContact CZ2-CD2 3.93Å; V324-L326 HydrophobicContact CG1-CB 4.35Å; V324-L326 PolarHBondContact O-N 3Å; L326-H342 WeakPolarHBondContact CA-O 3.39Å; L326-H343 HydrophobicContact CD1-CB 3.87Å; L326-H343 VanDerWaalsContact CD1-CD2 3.43Å; L326-H343 WeakPolarHBondContact CD1-CD2 3.48Å; L326-E360 HydrophobicContact CD2-CB 3.58Å; L326-E360 HydrophobicContact CD2-CG 4.29Å; L326-A361 HydrophobicContact CD1-CB 3.89Å; L326-L364 HydrophobicContact CG-CD1 4.42Å
327	Q	98.6	Very high	97.2	Very high	87 Å²	87	65 Å²	65	41%	0.407	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	157	-173.4	63.5	-177.8	74.5	0	0	111.5	R325 H342	R325-Q327 HydrophobicContact CG-CG 4.11Å; Q327-H342 PolarHBondContact N-O 2.79Å; Q327-H342 PolarHBondContact O-N 2.68Å
328	T	98.6	Very high	97.1	Very high	56 Å²	56	64.3 Å²	64.3	34%	0.344	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.9	168.3	-55.4	0	0	0	0	110.6	V340 C368	T328-V340 CarbonylContact C-O 3.55Å; T328-V340 WeakPolarHBondContact CA-O 3.35Å; T328-C368 VanDerWaalsContact CG2-SG 3.53Å
329	E	98.4	Very high	97.1	Very high	65 Å²	65	63.3 Å²	63.3	30%	0.304	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.8	171.6	-174.7	171	162.8	0	0	108.9	R325 L331 V340 H342	R325-E329 IonicContact CZ-OE2 2.78Å; R325-E329 IonicContact NH2-OE2 3.85Å; R325-E329 PolarHBondContact NH2-OE2 2.89Å; E329-L331 HydrophobicContact CG-CD2 3.94Å; E329-L331 VanDerWaalsContact OE1-CD2 3.27Å; E329-L331 WeakPolarHBondContact OE1-CD2 3.37Å; E329-V340 PolarHBondContact N-O 2.84Å; E329-V340 PolarHBondContact O-N 3.16Å; E329-H342 IonicContact OE2-CD2 2.85Å; E329-H342 PolarHBondContact OE2-CD2 2.7Å; E329-H342 IonicContact OE2-NE2 3.3Å; E329-H342 PolarHBondContact OE2-NE2 3.43Å; E329-H342 VanDerWaalsContact OE2-NE2 3.14Å
330	L	97.7	Very high	97.1	Very high	92 Å²	92	62.4 Å²	62.4	48%	0.482	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	97.4	176.5	-172.6	64.6	0	0	0	108.8	R337 P339	L330-R337 HydrophobicContact CD1-CB 4.04Å; L330-R337 HydrophobicContact CG-CB 4.41Å; L330-P339 HydrophobicContact CD1-CB 4.32Å; L330-P339 HydrophobicContact CD1-CG 3.92Å
331	L	97.1	Very high	97.1	Very high	35 Å²	35	59.1 Å²	59.1	18%	0.183	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	139.2	177.3	-58.8	-176.8	0	0	0	109.8	L209 W210 E329 R337 L338 V340	L209-L331 HydrophobicContact CD1-CD1 4.4Å; W210-L331 HydrophobicContact CZ2-CB 3.93Å; E329-L331 HydrophobicContact CG-CD2 3.94Å; E329-L331 VanDerWaalsContact OE1-CD2 3.27Å; E329-L331 WeakPolarHBondContact OE1-CD2 3.37Å; L331-R337 CarbonylContact O-C 3.49Å; L331-R337 WeakPolarHBondContact O-CA 3.46Å; L331-L338 HydrophobicContact CB-CB 4.41Å; L331-L338 PolarHBondContact N-O 2.95Å; L331-L338 PolarHBondContact O-N 3.36Å; L331-V340 HydrophobicContact CD1-CG2 3.62Å; L331-V340 HydrophobicContact CG-CG2 3.85Å
332	A	96.4	Very high	97.2	Very high	83 Å²	83	57.7 Å²	57.7	69%	0.686	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	129	175.5	0	0	0	0	0	111	R336	A332-R336 VanDerWaalsContact CA-O 3.3Å; A332-R336 WeakPolarHBondContact CA-O 3.38Å
333	R	96.3	Very high	97.2	Very high	110 Å²	110	56 Å²	56	42%	0.415	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	131.1	176.4	-170.3	-178.8	-72.7	176.1	1.5	108.3	D208 W210 G335 R336	D208-R333 IonicContact OD1-NH2 2.68Å; D208-R333 IonicContact OD2-CZ 3.96Å; D208-R333 VanDerWaalsContact OD2-CZ 3.3Å; D208-R333 IonicContact OD2-NH1 3.66Å; D208-R333 PolarHBondContact OD2-NH1 3.23Å; D208-R333 IonicContact OD2-NH2 3.65Å; D208-R333 PolarHBondContact OD2-NH2 3.5Å; W210-R333 VanDerWaalsContact CD1-NH2 3.34Å; W210-R333 HydrophobicContact CD2-CB 4.04Å; W210-R333 VanDerWaalsContact CE2-CB 3.44Å; W210-R333 HydrophobicContact CE3-CB 4.44Å; W210-R333 HydrophobicContact CH2-CB 3.8Å; W210-R333 HydrophobicContact CZ2-CB 3.32Å; W210-R333 VanDerWaalsContact CZ2-N 3.3Å; W210-R333 HydrophobicContact CZ3-CB 4.33Å; R333-G335 VanDerWaalsContact C-N 3.27Å; R333-G335 PolarHBondContact O-N 3.32Å; R333-R336 PolarHBondContact N-O 2.93Å; R333-R336 WeakPolarHBondContact O-CB 3.18Å; R333-R336 PolarHBondContact O-N 3.39Å
334	D	94	Very high	97.3	Very high	146 Å²	146	56 Å²	56	78%	0.781	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	43	177.8	-50.8	-37	0	0	0	114.1	R336	D334-R336 PolarHBondContact O-N 3.36Å; D334-R336 VanDerWaalsContact O-N 3.17Å
335	G	91.6	Very high	97.3	Very high	86 Å²	86	55.3 Å²	55.3	89%	0.887	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	-0.8	-179.6	0	0	0	0	0	115.3	R333	R333-G335 VanDerWaalsContact C-N 3.27Å; R333-G335 PolarHBondContact O-N 3.32Å
336	R	94.1	Very high	97.3	Very high	133 Å²	133	54.2 Å²	54.2	50%	0.502	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	157.5	177.1	-62	160.8	176.1	-167.8	4.3	110.4	W210 Y213 A332 R333 D334	W210-R336 HydrophobicContact CH2-CB 4.09Å; W210-R336 HydrophobicContact CZ3-CB 3.89Å; Y213-R336 HydrophobicContact CE1-CB 4.43Å; Y213-R336 VanDerWaalsContact CE1-CD 3.45Å; Y213-R336 HydrophobicContact CE1-CG 4.14Å; Y213-R336 HydrophobicContact CE2-CB 4.35Å; A332-R336 VanDerWaalsContact CA-O 3.3Å; A332-R336 WeakPolarHBondContact CA-O 3.38Å; R333-R336 PolarHBondContact N-O 2.93Å; R333-R336 WeakPolarHBondContact O-CB 3.18Å; R333-R336 PolarHBondContact O-N 3.39Å; D334-R336 PolarHBondContact O-N 3.36Å; D334-R336 VanDerWaalsContact O-N 3.17Å
337	R	94.9	Very high	97.3	Very high	179 Å²	179	53 Å²	53	68%	0.675	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.7	-178.9	-65.6	176	179.2	-150.2	2.7	109.9	L330 L331	L330-R337 HydrophobicContact CD1-CB 4.04Å; L330-R337 HydrophobicContact CG-CB 4.41Å; L331-R337 CarbonylContact O-C 3.49Å; L331-R337 WeakPolarHBondContact O-CA 3.46Å
338	L	97.3	Very high	97.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	106.6	176.6	-178.1	62.8	0	0	0	109.3	W210 V219 L331 V340	W210-L338 HydrophobicContact CH2-CB 3.97Å; W210-L338 HydrophobicContact CZ2-CB 4.25Å; W210-L338 HydrophobicContact CZ3-CB 4.14Å; V219-L338 HydrophobicContact CG2-CD1 4.02Å; V219-L338 HydrophobicContact CG2-CD2 4.2Å; V219-L338 HydrophobicContact CG2-CG 4.34Å; L331-L338 HydrophobicContact CB-CB 4.41Å; L331-L338 PolarHBondContact N-O 2.95Å; L331-L338 PolarHBondContact O-N 3.36Å; L338-V340 HydrophobicContact CD2-CG2 4.41Å; L338-V340 HydrophobicContact CG-CG2 4.17Å; L338-V340 PolarHBondContact O-N 3.3Å
339	P	98.2	Very high	96.9	Very high	18 Å²	18	48.3 Å²	48.3	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	125.8	171.2	-19.3	31.3	0	0	0	111	D217 I218 V219 L330	D217-P339 WeakPolarHBondContact O-CD 3.36Å; I218-P339 HydrophobicContact CG1-CB 4.31Å; V219-P339 PolarHBondContact N-O 2.93Å; L330-P339 HydrophobicContact CD1-CB 4.32Å; L330-P339 HydrophobicContact CD1-CG 3.92Å
340	V	98.8	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.9	177.3	-174.5	0	0	0	0	110.2	L209 V219 N221 T328 E329 L331 L338	L209-V340 HydrophobicContact CD1-CG1 3.98Å; L209-V340 HydrophobicContact CD1-CG2 4.35Å; V219-V340 HydrophobicContact CB-CG2 4.27Å; V219-V340 CarbonylContact O-C 3.55Å; V219-V340 WeakPolarHBondContact O-CA 3.33Å; N221-V340 HydrophobicContact CB-CG1 4.2Å; T328-V340 CarbonylContact C-O 3.55Å; T328-V340 WeakPolarHBondContact CA-O 3.35Å; E329-V340 PolarHBondContact N-O 2.84Å; E329-V340 PolarHBondContact O-N 3.16Å; L331-V340 HydrophobicContact CD1-CG2 3.62Å; L331-V340 HydrophobicContact CG-CG2 3.85Å; L338-V340 HydrophobicContact CD2-CG2 4.41Å; L338-V340 HydrophobicContact CG-CG2 4.17Å; L338-V340 PolarHBondContact O-N 3.3Å
341	V	98.9	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	109.6	167.8	179.8	0	0	0	0	108.2	V219 V220 N221 L364 V365	V219-V341 PolarHBondContact O-N 2.95Å; V220-V341 CarbonylContact C-O 3.54Å; V220-V341 VanDerWaalsContact CA-O 3.31Å; V220-V341 WeakPolarHBondContact CA-O 3.32Å; V220-V341 HydrophobicContact CG1-CB 4.35Å; V220-V341 HydrophobicContact CG2-CB 4.49Å; N221-V341 PolarHBondContact N-O 3.5Å; V341-L364 HydrophobicContact CG1-CB 3.99Å; V341-L364 HydrophobicContact CG1-CD1 3.99Å; V341-L364 HydrophobicContact CG2-CB 4.13Å; V341-V365 HydrophobicContact CB-CG2 4.14Å; V341-V365 HydrophobicContact CG1-CG2 4.45Å; V341-V365 HydrophobicContact CG2-CG2 3.77Å
342	H	98.9	Very high	97	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.8	175.6	-68.6	-62.4	0	0	0	110.2	N221 R325 L326 Q327 E329 Y344	N221-H342 PolarHBondContact ND2-ND1 3.36Å; R325-H342 HydrophobicContact CG-CB 4Å; R325-H342 CarbonylContact O-C 3.58Å; L326-H342 WeakPolarHBondContact CA-O 3.39Å; Q327-H342 PolarHBondContact N-O 2.79Å; Q327-H342 PolarHBondContact O-N 2.68Å; E329-H342 IonicContact OE2-CD2 2.85Å; E329-H342 PolarHBondContact OE2-CD2 2.7Å; E329-H342 IonicContact OE2-NE2 3.3Å; E329-H342 PolarHBondContact OE2-NE2 3.43Å; E329-H342 VanDerWaalsContact OE2-NE2 3.14Å; H342-Y344 HydrophobicContact CB-CD1 4.16Å; H342-Y344 HydrophobicContact CB-CE1 3.65Å; H342-Y344 AromaticContact CG-CE1 3.83Å; H342-Y344 AromaticContact ND1-CE1 3.56Å
343	H	98.9	Very high	97.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	76.4	-179.3	-176	-168.6	0	0	0	111.2	V54 T58 N221 C222 R325 L326 H346 T357 A361	V54-H343 WeakPolarHBondContact CG1-CE1 3.5Å; V54-H343 WeakPolarHBondContact CG1-NE2 3.44Å; T58-H343 PolarHBondContact OG1-CE1 3.22Å; T58-H343 PolarHBondContact OG1-ND1 2.75Å; N221-H343 CarbonylContact O-C 3.52Å; N221-H343 PolarHBondContact O-N 2.86Å; C222-H343 WeakPolarHBondContact CA-O 3.3Å; R325-H343 VanDerWaalsContact O-CA 3.22Å; R325-H343 WeakPolarHBondContact O-CA 3.2Å; R325-H343 PolarHBondContact O-N 3.46Å; L326-H343 HydrophobicContact CD1-CB 3.87Å; L326-H343 VanDerWaalsContact CD1-CD2 3.43Å; L326-H343 WeakPolarHBondContact CD1-CD2 3.48Å; H343-H346 AromaticContact CD2-CE1 3.47Å; H343-H346 PolarHBondContact CD2-CE1 3.06Å; H343-H346 VanDerWaalsContact CD2-CE1 3.47Å; H343-H346 AromaticContact CD2-NE2 3.56Å; H343-H346 AromaticContact NE2-CE1 3.74Å; H343-H346 AromaticContact NE2-NE2 3.39Å; H343-H346 PolarHBondContact NE2-NE2 2.62Å; H343-T357 VanDerWaalsContact CE1-C 3.42Å; H343-T357 PolarHBondContact CE1-O 2.98Å; H343-T357 VanDerWaalsContact CE1-O 3.3Å; H343-T357 WeakPolarHBondContact NE2-CB 3.42Å; H343-T357 PolarHBondContact NE2-O 3.16Å; H343-T357 PolarHBondContact NE2-OG1 3.42Å; H343-A361 HydrophobicContact CB-CB 4.42Å; H343-A361 WeakPolarHBondContact ND1-CB 3.15Å
344	Y	98.9	Very high	97.2	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	-179.9	-176.1	60.6	-96.7	0	0	0	112.6	S227 A231 D233 I236 V324 R325 H342	S227-Y344 VanDerWaalsContact CB-CD2 3.49Å; S227-Y344 VanDerWaalsContact CB-CE2 3.46Å; S227-Y344 VanDerWaalsContact CB-CZ 3.47Å; S227-Y344 WeakPolarHBondContact OG-CD1 3.36Å; S227-Y344 WeakPolarHBondContact OG-CE1 3.5Å; A231-Y344 HydrophobicContact CB-CE1 4.45Å; A231-Y344 WeakPolarHBondContact CB-OH 3.42Å; D233-Y344 HydrophobicContact CB-CE2 4.26Å; D233-Y344 WeakPolarHBondContact CB-OH 3.24Å; D233-Y344 PolarHBondContact OD2-OH 3.01Å; I236-Y344 HydrophobicContact CD1-CD2 3.93Å; I236-Y344 HydrophobicContact CG2-CE2 4.44Å; V324-Y344 WeakPolarHBondContact CG1-O 3.37Å; R325-Y344 HydrophobicContact CB-CD2 4.38Å; R325-Y344 HydrophobicContact CB-CE1 4.45Å; R325-Y344 HydrophobicContact CB-CE2 4.05Å; R325-Y344 VanDerWaalsContact CD-OH 3.3Å; R325-Y344 WeakPolarHBondContact CD-OH 3.41Å; R325-Y344 PolarHBondContact N-O 3.17Å; R325-Y344 PolarHBondContact NH1-OH 3.26Å; R325-Y344 PolarHBondContact O-N 3.31Å; R325-Y344 VanDerWaalsContact O-N 3.1Å; H342-Y344 HydrophobicContact CB-CD1 4.16Å; H342-Y344 HydrophobicContact CB-CE1 3.65Å; H342-Y344 AromaticContact CG-CE1 3.83Å; H342-Y344 AromaticContact ND1-CE1 3.56Å
345	G	98.6	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.5	24.9	177	0	0	0	0	0	114.2	P319 G347	P319-G345 CarbonylContact O-C 3.5Å; P319-G345 VanDerWaalsContact O-CA 3.26Å; P319-G345 WeakPolarHBondContact O-CA 3.31Å; G345-G347 VanDerWaalsContact C-N 3.25Å; G345-G347 PolarHBondContact O-N 2.86Å
346	H	98.6	Very high	97.8	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.037	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-5	-173.5	-57.6	71.5	0	0	0	115.8	Y96 P319 H343 S348 G349 G350 T357	Y96-H346 WeakPolarHBondContact CE1-O 3.14Å; Y96-H346 PolarHBondContact OH-O 3.43Å; P319-H346 PolarHBondContact O-N 2.73Å; H343-H346 AromaticContact CD2-CE1 3.47Å; H343-H346 PolarHBondContact CD2-CE1 3.06Å; H343-H346 VanDerWaalsContact CD2-CE1 3.47Å; H343-H346 AromaticContact CD2-NE2 3.56Å; H343-H346 AromaticContact NE2-CE1 3.74Å; H343-H346 AromaticContact NE2-NE2 3.39Å; H343-H346 PolarHBondContact NE2-NE2 2.62Å; H346-S348 PolarHBondContact O-N 3.44Å; H346-G349 PolarHBondContact O-N 3.44Å; H346-G349 VanDerWaalsContact O-N 3.09Å; H346-G350 VanDerWaalsContact CB-CA 3.47Å; H346-G350 PolarHBondContact O-N 3.37Å; H346-T357 PolarHBondContact NE2-OG1 2.84Å
347	G	97.7	Very high	98	Very high	11 Å²	11	14.9 Å²	14.9	11%	0.113	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-130.1	177.6	0	0	0	0	0	113.7	P319 G345	P319-G347 WeakPolarHBondContact O-CA 3.37Å; P319-G347 PolarHBondContact O-N 3.44Å; G345-G347 VanDerWaalsContact C-N 3.25Å; G345-G347 PolarHBondContact O-N 2.86Å
348	S	95.3	Very high	98.2	Very high	43 Å²	43	6.3 Å²	6.3	30%	0.301	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.3	-179.8	-49	0	0	0	0	114.3	R318 H346	R318-S348 WeakPolarHBondContact CD-OG 3.36Å; H346-S348 PolarHBondContact O-N 3.44Å
349	G	95.1	Very high	98.3	Very high	2 Å²	2	8 Å²	8	2%	0.021	5%	0.05	C	C	.	.			trans	-99.5	4	-171.9	0	0	0	0	0	114.4	Y96 H346 I351 S352 V353	Y96-G349 WeakPolarHBondContact OH-CA 3.24Å; Y96-G349 PolarHBondContact OH-O 3.13Å; H346-G349 PolarHBondContact O-N 3.44Å; H346-G349 VanDerWaalsContact O-N 3.09Å; G349-I351 PolarHBondContact O-N 3.34Å; G349-S352 PolarHBondContact O-N 2.82Å; G349-S352 VanDerWaalsContact O-N 3.15Å; G349-V353 PolarHBondContact O-N 3.29Å
350	G	97.5	Very high	98.3	Very high	9 Å²	9	9.6 Å²	9.6	9%	0.093	6%	0.056	C	C	.	.	H	α-helix	trans	-59.7	-44.6	-167.8	0	0	0	0	0	115	H346 S352 V353 H354	H346-G350 VanDerWaalsContact CB-CA 3.47Å; H346-G350 PolarHBondContact O-N 3.37Å; G350-S352 VanDerWaalsContact C-N 3.28Å; G350-S352 PolarHBondContact O-N 2.9Å; G350-V353 PolarHBondContact O-N 3.01Å; G350-H354 WeakPolarHBondContact O-CA 3.41Å; G350-H354 VanDerWaalsContact O-CB 3.32Å; G350-H354 WeakPolarHBondContact O-CB 3.44Å; G350-H354 PolarHBondContact O-N 2.75Å
351	I	98.3	Very high	98.3	Very high	16 Å²	16	9.6 Å²	9.6	8%	0.082	6%	0.056	C	C	.	.	H	α-helix	trans	-61.4	-40.5	177.8	-64.8	-179.4	0	0	0	110.8	V53 A87 L91 C181 G349 V353 H354	V53-I351 HydrophobicContact CG1-CG1 4.31Å; A87-I351 HydrophobicContact CB-CD1 3.39Å; A87-I351 HydrophobicContact CB-CG1 4.44Å; L91-I351 HydrophobicContact CD1-CG2 4.05Å; C181-I351 HydrophobicContact CB-CG2 4.07Å; G349-I351 PolarHBondContact O-N 3.34Å; I351-V353 PolarHBondContact O-N 2.76Å; I351-H354 PolarHBondContact O-ND1 3.47Å
352	S	98.6	Very high	98.3	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.014	6%	0.056	C	C	.	.	H	α-helix	trans	-67	-20	-177.4	-48.9	0	0	0	0	113.7	I92 F108 T111 G349 G350	I92-S352 PolarHBondContact N-OG 2.94Å; I92-S352 PolarHBondContact O-OG 2.9Å; I92-S352 VanDerWaalsContact O-OG 3.12Å; F108-S352 VanDerWaalsContact CD2-O 3.31Å; F108-S352 WeakPolarHBondContact CD2-O 3.42Å; T111-S352 VanDerWaalsContact CB-O 3.26Å; T111-S352 WeakPolarHBondContact CB-O 3.28Å; T111-S352 WeakPolarHBondContact CG2-O 3.36Å; G349-S352 PolarHBondContact O-N 2.82Å; G349-S352 VanDerWaalsContact O-N 3.15Å; G350-S352 VanDerWaalsContact C-N 3.28Å; G350-S352 PolarHBondContact O-N 2.9Å
353	V	98.8	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-126.3	6.8	-175.8	-55.6	0	0	0	0	113.7	Y96 W107 F108 T111 G349 G350 I351 W355 G356 T357	Y96-V353 HydrophobicContact CE2-CG1 4.44Å; Y96-V353 HydrophobicContact CE2-CG2 4.23Å; W107-V353 HydrophobicContact CB-CB 3.93Å; W107-V353 HydrophobicContact CB-CG1 4.21Å; F108-V353 HydrophobicContact CB-CG1 4.44Å; T111-V353 VanDerWaalsContact OG1-C 3.22Å; T111-V353 WeakPolarHBondContact OG1-CA 3.3Å; G349-V353 PolarHBondContact O-N 3.29Å; G350-V353 PolarHBondContact O-N 3.01Å; I351-V353 PolarHBondContact O-N 2.76Å; V353-W355 VanDerWaalsContact C-N 3.32Å; V353-W355 PolarHBondContact O-N 2.75Å; V353-G356 PolarHBondContact O-N 2.94Å; V353-T357 HydrophobicContact CB-CG2 4.32Å; V353-T357 HydrophobicContact CG2-CG2 4.07Å; V353-T357 WeakPolarHBondContact O-CG2 3.45Å; V353-T357 PolarHBondContact O-N 3.09Å; V353-T357 PolarHBondContact O-OG1 2.87Å
354	H	98.9	Very high	98.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.3	-42.3	-169.2	74.6	-81.4	0	0	0	112	V53 V54 T111 Y186 G350 I351 T357 A358	V53-H354 HydrophobicContact CG1-CB 4.28Å; V53-H354 HydrophobicContact CG2-CB 4.18Å; V54-H354 HydrophobicContact CG2-CB 4.46Å; T111-H354 WeakPolarHBondContact CG2-ND1 3.25Å; Y186-H354 AromaticContact CE1-CE1 3.97Å; Y186-H354 AromaticContact CE1-NE2 3.48Å; Y186-H354 WeakPolarHBondContact CE1-NE2 3.45Å; Y186-H354 AromaticContact CZ-NE2 3.7Å; Y186-H354 PolarHBondContact OH-NE2 2.88Å; Y186-H354 VanDerWaalsContact OH-NE2 3.08Å; G350-H354 WeakPolarHBondContact O-CA 3.41Å; G350-H354 VanDerWaalsContact O-CB 3.32Å; G350-H354 WeakPolarHBondContact O-CB 3.44Å; G350-H354 PolarHBondContact O-N 2.75Å; I351-H354 PolarHBondContact O-ND1 3.47Å; H354-T357 PolarHBondContact O-OG1 2.95Å; H354-A358 WeakPolarHBondContact O-CB 3.27Å; H354-A358 PolarHBondContact O-N 2.76Å
355	W	98.9	Very high	98.3	Very high	20 Å²	20	16.8 Å²	16.8	8%	0.076	9%	0.086	C	C	.	.	H	α-helix	trans	-74.2	-44.6	-175.9	-154.5	-102.7	0	0	0	112	V60 T111 H114 L190 V353 T357 A358 L359	V60-W355 HydrophobicContact CB-CH2 4Å; V60-W355 HydrophobicContact CG1-CH2 3.66Å; V60-W355 HydrophobicContact CG1-CZ2 4.32Å; T111-W355 HydrophobicContact CG2-CB 4.1Å; T111-W355 PolarHBondContact OG1-N 2.92Å; H114-W355 HydrophobicContact CB-CB 4.33Å; H114-W355 HydrophobicContact CB-CD2 4.34Å; H114-W355 HydrophobicContact CB-CG 3.81Å; H114-W355 AromaticContact CD2-CD2 3.33Å; H114-W355 AromaticContact CD2-CE2 3.62Å; H114-W355 AromaticContact CD2-CE3 3.6Å; H114-W355 AromaticContact CD2-CG 3.65Å; H114-W355 AromaticContact CE1-CD2 3.96Å; H114-W355 AromaticContact CE1-CE2 3.44Å; H114-W355 VanDerWaalsContact CE1-CE2 3.44Å; H114-W355 AromaticContact CE1-CH2 3.72Å; H114-W355 AromaticContact CE1-CZ2 3.32Å; H114-W355 WeakPolarHBondContact CE1-CZ2 3.3Å; H114-W355 AromaticContact CE1-NE1 3.92Å; H114-W355 AromaticContact CG-CD1 3.56Å; H114-W355 AromaticContact CG-CD2 3.63Å; H114-W355 AromaticContact CG-CE2 3.58Å; H114-W355 AromaticContact CG-CG 3.64Å; H114-W355 AromaticContact CG-NE1 3.51Å; H114-W355 AromaticContact ND1-CE2 3.48Å; H114-W355 AromaticContact ND1-CZ2 3.79Å; H114-W355 AromaticContact ND1-NE1 3.47Å; H114-W355 PolarHBondContact ND1-NE1 2.85Å; H114-W355 AromaticContact NE2-CD2 3.56Å; H114-W355 AromaticContact NE2-CE2 3.53Å; H114-W355 AromaticContact NE2-CE3 3.57Å; H114-W355 AromaticContact NE2-CH2 3.54Å; H114-W355 AromaticContact NE2-CZ2 3.54Å; H114-W355 AromaticContact NE2-CZ3 3.56Å; L190-W355 HydrophobicContact CD2-CH2 4.42Å; L190-W355 HydrophobicContact CD2-CZ3 3.95Å; V353-W355 VanDerWaalsContact C-N 3.32Å; V353-W355 PolarHBondContact O-N 2.75Å; W355-T357 PolarHBondContact O-N 2.89Å; W355-A358 WeakPolarHBondContact O-CB 3.45Å; W355-A358 PolarHBondContact O-N 3.3Å; W355-A358 VanDerWaalsContact O-N 3.13Å; W355-L359 WeakPolarHBondContact O-CG 3.43Å; W355-L359 PolarHBondContact O-N 2.87Å
356	G	98.8	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-43.9	177.3	0	0	0	0	0	112.2	E110 T111 V353 A358 L359 E360	E110-G356 WeakPolarHBondContact OE2-CA 3.35Å; T111-G356 PolarHBondContact OG1-N 3.46Å; T111-G356 VanDerWaalsContact OG1-N 3.09Å; V353-G356 PolarHBondContact O-N 2.94Å; G356-A358 VanDerWaalsContact C-N 3.3Å; G356-A358 PolarHBondContact O-N 2.96Å; G356-L359 PolarHBondContact O-N 2.87Å; G356-E360 PolarHBondContact O-N 3.2Å
357	T	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.1	-29.1	174.5	61.3	0	0	0	0	112.9	W107 H343 H346 V353 H354 W355 E360 A361	W107-T357 HydrophobicContact CB-CG2 4.33Å; W107-T357 HydrophobicContact CD2-CG2 3.44Å; W107-T357 VanDerWaalsContact CD2-CG2 3.44Å; W107-T357 HydrophobicContact CE3-CG2 3.46Å; W107-T357 VanDerWaalsContact CE3-CG2 3.46Å; W107-T357 HydrophobicContact CG-CG2 3.86Å; W107-T357 HydrophobicContact CH2-CG2 4.27Å; W107-T357 HydrophobicContact CZ2-CG2 4.25Å; W107-T357 HydrophobicContact CZ3-CG2 3.88Å; H343-T357 VanDerWaalsContact CE1-C 3.42Å; H343-T357 PolarHBondContact CE1-O 2.98Å; H343-T357 VanDerWaalsContact CE1-O 3.3Å; H343-T357 WeakPolarHBondContact NE2-CB 3.42Å; H343-T357 PolarHBondContact NE2-O 3.16Å; H343-T357 PolarHBondContact NE2-OG1 3.42Å; H346-T357 PolarHBondContact NE2-OG1 2.84Å; V353-T357 HydrophobicContact CB-CG2 4.32Å; V353-T357 HydrophobicContact CG2-CG2 4.07Å; V353-T357 WeakPolarHBondContact O-CG2 3.45Å; V353-T357 PolarHBondContact O-N 3.09Å; V353-T357 PolarHBondContact O-OG1 2.87Å; H354-T357 PolarHBondContact O-OG1 2.95Å; W355-T357 PolarHBondContact O-N 2.89Å; T357-E360 PolarHBondContact O-N 2.71Å; T357-A361 PolarHBondContact O-N 3Å
358	A	98.9	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-69	-35.3	173.2	0	0	0	0	0	113.2	T58 C61 H354 W355 G356 A361 A362	T58-A358 WeakPolarHBondContact OG1-CB 3.42Å; C61-A358 HydrophobicContact CB-CB 4.28Å; H354-A358 WeakPolarHBondContact O-CB 3.27Å; H354-A358 PolarHBondContact O-N 2.76Å; W355-A358 WeakPolarHBondContact O-CB 3.45Å; W355-A358 PolarHBondContact O-N 3.3Å; W355-A358 VanDerWaalsContact O-N 3.13Å; G356-A358 VanDerWaalsContact C-N 3.3Å; G356-A358 PolarHBondContact O-N 2.96Å; A358-A361 PolarHBondContact O-N 3.41Å; A358-A362 WeakPolarHBondContact O-CB 3.19Å; A358-A362 PolarHBondContact O-N 2.83Å
359	L	98.9	Very high	98.1	Very high	37 Å²	37	22 Å²	22	19%	0.194	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-46	172.5	-69.6	171.5	0	0	0	111	L65 E110 W355 G356 A362 R363	L65-L359 HydrophobicContact CD1-CD2 3.84Å; E110-L359 HydrophobicContact CB-CD1 4.19Å; E110-L359 HydrophobicContact CG-CD1 4.32Å; W355-L359 WeakPolarHBondContact O-CG 3.43Å; W355-L359 PolarHBondContact O-N 2.87Å; G356-L359 PolarHBondContact O-N 2.87Å; L359-A362 PolarHBondContact O-N 2.82Å; L359-R363 WeakPolarHBondContact O-CG 3.12Å; L359-R363 PolarHBondContact O-N 2.94Å
360	E	98.8	Very high	98	Very high	50 Å²	50	28.1 Å²	28.1	23%	0.234	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-42.2	176.3	-63.2	-54.3	163	0	0	112.5	L326 G356 T357 A362 R363 L364	L326-E360 HydrophobicContact CD2-CB 3.58Å; L326-E360 HydrophobicContact CD2-CG 4.29Å; G356-E360 PolarHBondContact O-N 3.2Å; T357-E360 PolarHBondContact O-N 2.71Å; E360-A362 VanDerWaalsContact C-N 3.3Å; E360-A362 PolarHBondContact O-N 2.82Å; E360-R363 WeakPolarHBondContact O-CB 3.23Å; E360-R363 PolarHBondContact O-N 3.33Å; E360-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 IonicContact OE1-CZ 3.8Å; E360-R363 IonicContact OE1-NH1 3.43Å; E360-R363 PolarHBondContact OE1-NH1 2.98Å; E360-R363 WeakPolarHBondContact OE2-CD 3.28Å; E360-R363 IonicContact OE2-CZ 3.14Å; E360-R363 IonicContact OE2-NE 3.41Å; E360-R363 IonicContact OE2-NH1 3.9Å; E360-R363 PolarHBondContact OE2-NH1 2.61Å; E360-L364 PolarHBondContact O-N 3.37Å; E360-L364 VanDerWaalsContact O-N 3.08Å
361	A	98.9	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-42.7	174.2	0	0	0	0	0	111.7	T58 L326 H343 T357 A358 R363 L364 V365	T58-A361 HydrophobicContact CG2-CB 3.72Å; L326-A361 HydrophobicContact CD1-CB 3.89Å; H343-A361 HydrophobicContact CB-CB 4.42Å; H343-A361 WeakPolarHBondContact ND1-CB 3.15Å; T357-A361 PolarHBondContact O-N 3Å; A358-A361 PolarHBondContact O-N 3.41Å; A361-R363 VanDerWaalsContact C-N 3.32Å; A361-R363 PolarHBondContact O-N 2.98Å; A361-L364 PolarHBondContact O-N 2.93Å; A361-V365 VanDerWaalsContact O-CG2 3.31Å; A361-V365 WeakPolarHBondContact O-CG2 3.45Å; A361-V365 PolarHBondContact O-N 2.99Å
362	A	98.8	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-34.8	177.3	0	0	0	0	0	112.6	C61 I62 L65 A358 L359 E360 V365 S366	C61-A362 HydrophobicContact CB-CB 3.85Å; I62-A362 HydrophobicContact CG1-CB 3.97Å; L65-A362 HydrophobicContact CD1-CB 4.02Å; A358-A362 WeakPolarHBondContact O-CB 3.19Å; A358-A362 PolarHBondContact O-N 2.83Å; L359-A362 PolarHBondContact O-N 2.82Å; E360-A362 VanDerWaalsContact C-N 3.3Å; E360-A362 PolarHBondContact O-N 2.82Å; A362-V365 PolarHBondContact O-N 3.24Å; A362-S366 WeakPolarHBondContact O-CB 3.18Å; A362-S366 PolarHBondContact O-N 3.42Å
363	R	98.6	Very high	96.6	Very high	119 Å²	119	41 Å²	41	45%	0.449	20%	0.199	S	C	.	.	H	α-helix	trans	-62.4	-49	172.5	-69.8	176	-169.5	156	5.6	111.4	L359 E360 A361 V365 S366 E367	L359-R363 WeakPolarHBondContact O-CG 3.12Å; L359-R363 PolarHBondContact O-N 2.94Å; E360-R363 WeakPolarHBondContact O-CB 3.23Å; E360-R363 PolarHBondContact O-N 3.33Å; E360-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 IonicContact OE1-CZ 3.8Å; E360-R363 IonicContact OE1-NH1 3.43Å; E360-R363 PolarHBondContact OE1-NH1 2.98Å; E360-R363 WeakPolarHBondContact OE2-CD 3.28Å; E360-R363 IonicContact OE2-CZ 3.14Å; E360-R363 IonicContact OE2-NE 3.41Å; E360-R363 IonicContact OE2-NH1 3.9Å; E360-R363 PolarHBondContact OE2-NH1 2.61Å; A361-R363 VanDerWaalsContact C-N 3.32Å; A361-R363 PolarHBondContact O-N 2.98Å; R363-V365 VanDerWaalsContact C-N 3.29Å; R363-V365 PolarHBondContact O-N 2.78Å; R363-S366 WeakPolarHBondContact O-CA 3.47Å; R363-S366 WeakPolarHBondContact O-CB 3.33Å; R363-S366 PolarHBondContact O-N 3.26Å; R363-E367 WeakPolarHBondContact O-CG 2.93Å; R363-E367 PolarHBondContact O-N 3.19Å
364	L	98.8	Very high	95.7	Very high	35 Å²	35	44.4 Å²	44.4	18%	0.183	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-39.5	176.7	-67.1	175	0	0	0	112.4	L326 V341 E360 A361 E367 C368	L326-L364 HydrophobicContact CG-CD1 4.42Å; V341-L364 HydrophobicContact CG1-CB 3.99Å; V341-L364 HydrophobicContact CG1-CD1 3.99Å; V341-L364 HydrophobicContact CG2-CB 4.13Å; E360-L364 PolarHBondContact O-N 3.37Å; E360-L364 VanDerWaalsContact O-N 3.08Å; A361-L364 PolarHBondContact O-N 2.93Å; L364-E367 PolarHBondContact O-N 3.42Å; L364-C368 PolarHBondContact O-N 3.32Å; L364-C368 PolarHBondContact O-SG 3.05Å
365	V	98.7	Very high	94.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-42.7	174.4	172.6	0	0	0	0	111.1	I46 I62 V66 I218 V220 V341 A361 A362 R363 E367 C368 V369	I46-V365 HydrophobicContact CD1-CG1 3.64Å; I46-V365 HydrophobicContact CG1-CG1 4.43Å; I62-V365 HydrophobicContact CD1-CB 4.45Å; I62-V365 HydrophobicContact CD1-CG1 4.38Å; I62-V365 HydrophobicContact CD1-CG2 3.93Å; I62-V365 HydrophobicContact CG1-CB 4.34Å; I62-V365 HydrophobicContact CG1-CG1 4.32Å; I62-V365 HydrophobicContact CG1-CG2 4.3Å; I62-V365 HydrophobicContact CG2-CG1 4.28Å; V66-V365 HydrophobicContact CG2-CB 4.46Å; V66-V365 HydrophobicContact CG2-CG1 4.08Å; I218-V365 HydrophobicContact CD1-CG1 4.36Å; V220-V365 HydrophobicContact CG2-CG2 3.6Å; V341-V365 HydrophobicContact CB-CG2 4.14Å; V341-V365 HydrophobicContact CG1-CG2 4.45Å; V341-V365 HydrophobicContact CG2-CG2 3.77Å; A361-V365 VanDerWaalsContact O-CG2 3.31Å; A361-V365 WeakPolarHBondContact O-CG2 3.45Å; A361-V365 PolarHBondContact O-N 2.99Å; A362-V365 PolarHBondContact O-N 3.24Å; R363-V365 VanDerWaalsContact C-N 3.29Å; R363-V365 PolarHBondContact O-N 2.78Å; V365-E367 VanDerWaalsContact C-N 3.31Å; V365-E367 PolarHBondContact O-N 2.86Å; V365-C368 WeakPolarHBondContact O-CB 3.33Å; V365-C368 PolarHBondContact O-N 2.89Å; V365-V369 WeakPolarHBondContact O-CG2 3.49Å; V365-V369 PolarHBondContact O-N 3.38Å
366	S	97.9	Very high	92.4	Very high	42 Å²	42	56.1 Å²	56.1	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-41.5	176.1	-168.6	0	0	0	0	111.9	A362 R363 V369 H370	A362-S366 WeakPolarHBondContact O-CB 3.18Å; A362-S366 PolarHBondContact O-N 3.42Å; R363-S366 WeakPolarHBondContact O-CA 3.47Å; R363-S366 WeakPolarHBondContact O-CB 3.33Å; R363-S366 PolarHBondContact O-N 3.26Å; S366-V369 PolarHBondContact O-N 2.98Å; S366-H370 PolarHBondContact O-N 2.75Å
367	E	96.9	Very high	90	Very high	113 Å²	113	61.5 Å²	61.5	53%	0.528	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-45.2	174.1	-69.4	168	-169.2	0	0	111.4	R363 L364 V365 V369 H370 V371	R363-E367 WeakPolarHBondContact O-CG 2.93Å; R363-E367 PolarHBondContact O-N 3.19Å; L364-E367 PolarHBondContact O-N 3.42Å; V365-E367 VanDerWaalsContact C-N 3.31Å; V365-E367 PolarHBondContact O-N 2.86Å; E367-V369 VanDerWaalsContact C-N 3.35Å; E367-V369 PolarHBondContact O-N 3.28Å; E367-H370 WeakPolarHBondContact O-CB 3.44Å; E367-H370 PolarHBondContact O-N 2.8Å; E367-V371 WeakPolarHBondContact O-CG2 3.47Å; E367-V371 PolarHBondContact O-N 2.69Å
368	C	96.1	Very high	87.4	Confident	13 Å²	13	71.1 Å²	71.1	9%	0.088	37%	0.365	C	S	.	.	H	α-helix	trans	-59.7	-44.3	175.7	-67.1	0	0	0	0	111.9	I218 T328 L364 V365 H370 V371 L372	I218-C368 HydrophobicContact CD1-CB 3.59Å; I218-C368 HydrophobicContact CG1-CB 4.22Å; T328-C368 VanDerWaalsContact CG2-SG 3.53Å; L364-C368 PolarHBondContact O-N 3.32Å; L364-C368 PolarHBondContact O-SG 3.05Å; V365-C368 WeakPolarHBondContact O-CB 3.33Å; V365-C368 PolarHBondContact O-N 2.89Å; C368-H370 VanDerWaalsContact C-N 3.31Å; C368-H370 PolarHBondContact O-N 3.04Å; C368-V371 PolarHBondContact O-N 3.08Å; C368-L372 WeakPolarHBondContact O-CG 3.41Å; C368-L372 PolarHBondContact O-N 3.15Å
369	V	95	Very high	84.8	Confident	4 Å²	4	76 Å²	76	2%	0.024	40%	0.399	C	S	.	.	H	α-helix	trans	-61.6	-40.6	176.5	171.5	0	0	0	0	111.1	A44 V66 I218 V365 S366 E367 L372 R373	A44-V369 HydrophobicContact CB-CG1 4.12Å; A44-V369 HydrophobicContact CB-CG2 3.81Å; V66-V369 HydrophobicContact CG1-CB 4.3Å; V66-V369 HydrophobicContact CG1-CG1 4.49Å; V66-V369 HydrophobicContact CG1-CG2 3.8Å; I218-V369 HydrophobicContact CD1-CB 4.44Å; I218-V369 HydrophobicContact CD1-CG2 3.43Å; I218-V369 VanDerWaalsContact CD1-CG2 3.43Å; V365-V369 WeakPolarHBondContact O-CG2 3.49Å; V365-V369 PolarHBondContact O-N 3.38Å; S366-V369 PolarHBondContact O-N 2.98Å; E367-V369 VanDerWaalsContact C-N 3.35Å; E367-V369 PolarHBondContact O-N 3.28Å; V369-L372 PolarHBondContact O-N 2.83Å; V369-R373 WeakPolarHBondContact O-CG 3.13Å; V369-R373 PolarHBondContact O-N 2.95Å
370	H	92.8	Very high	82.2	Confident	130 Å²	130	84.4 Å²	84.4	60%	0.602	43%	0.434	S	S	*	.	H	α-helix	trans	-63.6	-42.3	177.1	-174.3	68	0	0	0	112.2	S366 E367 C368 R373 T374	S366-H370 PolarHBondContact O-N 2.75Å; E367-H370 WeakPolarHBondContact O-CB 3.44Å; E367-H370 PolarHBondContact O-N 2.8Å; C368-H370 VanDerWaalsContact C-N 3.31Å; C368-H370 PolarHBondContact O-N 3.04Å; H370-R373 PolarHBondContact O-N 3.26Å; H370-T374 PolarHBondContact O-N 2.93Å; H370-T374 PolarHBondContact O-OG1 3.33Å
371	V	90.8	Very high	79.2	Confident	105 Å²	105	93.3 Å²	93.3	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-62.6	-42.1	175.1	172.3	0	0	0	0	111.5	E367 C368 R373 T374	E367-V371 WeakPolarHBondContact O-CG2 3.47Å; E367-V371 PolarHBondContact O-N 2.69Å; C368-V371 PolarHBondContact O-N 3.08Å; V371-R373 VanDerWaalsContact C-N 3.28Å; V371-R373 PolarHBondContact O-N 2.85Å; V371-T374 PolarHBondContact O-N 2.82Å
372	L	87.8	Confident	78.3	Confident	95 Å²	95	98 Å²	98	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-31.9	177.1	-70.7	173.9	0	0	0	113	D217 I218 C368 V369	D217-L372 HydrophobicContact CB-CD1 4.07Å; I218-L372 HydrophobicContact CD1-CD1 3.98Å; I218-L372 HydrophobicContact CG1-CD1 3.81Å; C368-L372 WeakPolarHBondContact O-CG 3.41Å; C368-L372 PolarHBondContact O-N 3.15Å; V369-L372 PolarHBondContact O-N 2.83Å
373	R	85.7	Confident	77.2	Confident	97 Å²	97	103.1 Å²	103.1	37%	0.366	53%	0.533	S	S	.	.	H	α-helix	trans	-83.7	-19.9	179.3	-73.3	179.3	171.8	149.1	7	113.7	D42 P67 Q68 V369 H370 V371 P375	D42-R373 PolarHBondContact O-NH2 3.32Å; P67-R373 PolarHBondContact O-NH1 3.41Å; P67-R373 PolarHBondContact O-NH2 3.5Å; Q68-R373 VanDerWaalsContact CB-NH2 3.33Å; Q68-R373 PolarHBondContact O-NH2 2.89Å; V369-R373 WeakPolarHBondContact O-CG 3.13Å; V369-R373 PolarHBondContact O-N 2.95Å; H370-R373 PolarHBondContact O-N 3.26Å; V371-R373 VanDerWaalsContact C-N 3.28Å; V371-R373 PolarHBondContact O-N 2.85Å; R373-P375 WeakPolarHBondContact O-CD 3.02Å
374	T	81.6	Confident	76	Confident	73 Å²	73	102.2 Å²	102.2	45%	0.448	54%	0.538	S	S	.	.	S	Bend	trans	-84.6	117.7	-178.6	-56.2	0	0	0	0	109.5	H370 V371 I376	H370-T374 PolarHBondContact O-N 2.93Å; H370-T374 PolarHBondContact O-OG1 3.33Å; V371-T374 PolarHBondContact O-N 2.82Å; T374-I376 PolarHBondContact O-N 3.48Å
375	P	64.9	Low	74.6	Confident	110 Å²	110	106.2 Å²	106.2	71%	0.714	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-64.2	132.5	178.3	16	-17.8	0	0	0	110.4	R373 P377	R373-P375 WeakPolarHBondContact O-CD 3.02Å; P375-P377 WeakPolarHBondContact O-CD 3.41Å
376	I	62.7	Low	73.1	Confident	156 Å²	156	112.8 Å²	112.8	80%	0.8	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-60.6	124.5	172.3	-60.2	170.8	0	0	0	107.4	T374 K378	T374-I376 PolarHBondContact O-N 3.48Å; I376-K378 PolarHBondContact O-N 3.27Å; I376-K378 VanDerWaalsContact O-N 3.12Å
377	P	47.4	Very low	71.5	Confident	113 Å²	113	117.5 Å²	117.5	73%	0.734	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-56.5	122.3	174.4	-20.4	30.4	0	0	0	108.7	P375 S379	P375-P377 WeakPolarHBondContact O-CD 3.41Å; P377-S379 PolarHBondContact O-N 3.32Å
378	K	44.5	Very low	69.7	Low	201 Å²	201	117.9 Å²	117.9	87%	0.874	62%	0.619	S	S	*	*			trans	-60.5	103.8	168.3	-72.7	-176.4	177.7	-179.3	0	106.9	I376 K380	I376-K378 PolarHBondContact O-N 3.27Å; I376-K378 VanDerWaalsContact O-N 3.12Å; K378-K380 PolarHBondContact O-N 3.19Å; K378-K380 VanDerWaalsContact O-N 3.08Å
379	S	45.1	Very low	67.6	Low	103 Å²	103	125.9 Å²	125.9	72%	0.72	66%	0.66	S	S	*	*			trans	-56.8	115.8	167.2	52.6	0	0	0	0	107	P377 L381	P377-S379 PolarHBondContact O-N 3.32Å; S379-L381 PolarHBondContact O-N 2.88Å
380	K	43.5	Very low	65.4	Low	213 Å²	213	136.1 Å²	136.1	93%	0.926	71%	0.713	S	S	*	*			trans	-61.4	107.7	169.8	-68.8	-178.3	178.6	-179.1	0	106.8	K378	K378-K380 PolarHBondContact O-N 3.19Å; K378-K380 VanDerWaalsContact O-N 3.08Å
381	L	37.5	Very low	62.9	Low	237 Å²	237	136.6 Å²	136.6	100%	1.241	72%	0.723	S	S	*	*			trans	-78.4	0	159.8	-90.7	157.8	0	0	0	108.6	S379	S379-L381 PolarHBondContact O-N 2.88Å

Retrieved 381 of 381 residues in 76.9 ms (Link to these results)

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