A0A060XV21_ONCMY Loading...

Proteasome subunit alpha type

Component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex).

AlphaFold DB , UniProt , Accession A0A060XV21, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 241 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	38.3	Very low	59	Low	236 Å²	236	140.5 Å²	140.5	100%	1.163	66%	0.655	S	S	*	*				0	99.2	0	-151.4	171.9	-161	0	0	106.1	L3	M1-L3 PolarHBondContact O-N 2.86Å
2	F	41.2	Very low	61.2	Low	203 Å²	203	131.4 Å²	131.4	89%	0.89	62%	0.616	S	S	*	*			trans	-78.2	109.3	-173.6	-75.2	-84	0	0	0	109.1	T4	F2-T4 VanDerWaalsContact C-N 3.26Å; F2-T4 PolarHBondContact O-N 3.12Å
3	L	47.9	Very low	63.3	Low	176 Å²	176	126.9 Å²	126.9	92%	0.921	60%	0.599	S	S	*	*			trans	-83.9	72.1	169.3	-78.6	161.8	0	0	0	108.8	M1	M1-L3 PolarHBondContact O-N 2.86Å
4	T	58.7	Low	65.2	Low	118 Å²	118	120.9 Å²	120.9	72%	0.724	58%	0.575	S	S	*	*			trans	-75.1	120.6	153.1	42	0	0	0	0	106.5	F2 S6	F2-T4 VanDerWaalsContact C-N 3.26Å; F2-T4 PolarHBondContact O-N 3.12Å; T4-S6 PolarHBondContact O-N 3.22Å
5	R	56.3	Low	66.8	Low	212 Å²	212	121.3 Å²	121.3	80%	0.8	57%	0.573	S	S	*	*			trans	-58.7	102.7	-173.4	-168.7	179	-179.8	178.6	-2.2	110.1	E7	R5-E7 HydrophobicContact CG-CG 4.15Å; R5-E7 IonicContact CZ-OE1 2.62Å; R5-E7 IonicContact NE-OE1 2.69Å; R5-E7 PolarHBondContact NE-OE1 3.34Å; R5-E7 IonicContact NH2-OE1 3.92Å; R5-E7 PolarHBondContact NH2-OE1 2.87Å
6	S	59.3	Low	68.2	Low	43 Å²	43	114.4 Å²	114.4	30%	0.301	54%	0.542	S	S	.	.			trans	-104.6	99.4	173.5	-166.5	0	0	0	0	108.4	T4 Y8 D9 Y26	T4-S6 PolarHBondContact O-N 3.22Å; S6-Y8 VanDerWaalsContact C-N 3.33Å; S6-D9 WeakPolarHBondContact CB-OD2 3.5Å; S6-D9 WeakPolarHBondContact OG-CB 3.46Å; S6-D9 PolarHBondContact OG-OD1 2.77Å; S6-D9 PolarHBondContact OG-OD2 3.37Å; S6-Y26 PolarHBondContact OG-OH 3.47Å
7	E	58.9	Low	69.4	Low	106 Å²	106	113.9 Å²	113.9	50%	0.495	55%	0.551	S	S	.	*	S	Bend	trans	-87.3	-5.6	179.3	-76.7	-178.8	165.6	0	0	112.5	R5	R5-E7 HydrophobicContact CG-CG 4.15Å; R5-E7 IonicContact CZ-OE1 2.62Å; R5-E7 IonicContact NE-OE1 2.69Å; R5-E7 PolarHBondContact NE-OE1 3.34Å; R5-E7 IonicContact NH2-OE1 3.92Å; R5-E7 PolarHBondContact NH2-OE1 2.87Å
8	Y	59.6	Low	70.5	Confident	136 Å²	136	114.7 Å²	114.7	53%	0.533	55%	0.554	S	S	.	*	S	Bend	trans	-139.6	15.1	-164.5	-60.3	-78.3	0	0	0	115.6	S6 T14	S6-Y8 VanDerWaalsContact C-N 3.33Å; Y8-T14 VanDerWaalsContact O-CB 3.3Å; Y8-T14 WeakPolarHBondContact O-CB 3.43Å; Y8-T14 WeakPolarHBondContact O-CG2 3.41Å
9	D	69.6	Low	71.6	Confident	59 Å²	59	111.3 Å²	111.3	32%	0.316	55%	0.552	S	S	.	*			trans	-95.7	16	-175.8	63.3	-2.7	0	0	0	115.9	S6 G11 Y26	S6-D9 WeakPolarHBondContact CB-OD2 3.5Å; S6-D9 WeakPolarHBondContact OG-CB 3.46Å; S6-D9 PolarHBondContact OG-OD1 2.77Å; S6-D9 PolarHBondContact OG-OD2 3.37Å; D9-G11 PolarHBondContact O-N 3.37Å; D9-Y26 HydrophobicContact CB-CE2 4.24Å
10	R	77	Confident	72.5	Confident	243 Å²	243	112.1 Å²	112.1	92%	0.917	55%	0.548	S	S	*	.	S	Bend	trans	-67.7	-21	-172.6	-64.3	-171	-178.5	-173.7	1.1	114.9
11	G	82.6	Confident	73.5	Confident	14 Å²	14	108.7 Å²	108.7	14%	0.144	53%	0.532	C	S	.	.	S	Bend	trans	-117.6	150.3	-179.5	0	0	0	0	0	111.1	D9 N13 T14	D9-G11 PolarHBondContact O-N 3.37Å; G11-N13 PolarHBondContact O-N 3.12Å; G11-T14 WeakPolarHBondContact CA-OG1 3.33Å; G11-T14 PolarHBondContact N-OG1 3.35Å; G11-T14 PolarHBondContact O-N 2.8Å; G11-T14 PolarHBondContact O-OG1 3.24Å
12	V	85.5	Confident	76	Confident	31 Å²	31	99.1 Å²	99.1	19%	0.188	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-34	-179.6	179.8	0	0	0	0	111	Q23 F123 S134	V12-Q23 HydrophobicContact CG1-CG 4.31Å; V12-Q23 WeakPolarHBondContact O-CG 3.39Å; V12-F123 HydrophobicContact CG1-CD2 3.58Å; V12-F123 HydrophobicContact CG1-CE2 3.9Å; V12-S134 WeakPolarHBondContact CG2-O 3.08Å
13	N	88.1	Confident	78.5	Confident	73 Å²	73	91.7 Å²	91.7	39%	0.39	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	25	-177.2	-67.3	-21.2	0	0	0	113.5	G11	G11-N13 PolarHBondContact O-N 3.12Å
14	T	89.8	Confident	80.7	Confident	43 Å²	43	84 Å²	84	26%	0.264	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-83.2	130.8	179.3	-50.2	0	0	0	0	112.3	Y8 G11 F22	Y8-T14 VanDerWaalsContact O-CB 3.3Å; Y8-T14 WeakPolarHBondContact O-CB 3.43Å; Y8-T14 WeakPolarHBondContact O-CG2 3.41Å; G11-T14 WeakPolarHBondContact CA-OG1 3.33Å; G11-T14 PolarHBondContact N-OG1 3.35Å; G11-T14 PolarHBondContact O-N 2.8Å; G11-T14 PolarHBondContact O-OG1 3.24Å; T14-F22 PolarHBondContact O-N 3.36Å
15	F	89.9	Confident	82.4	Confident	126 Å²	126	81.2 Å²	81.2	55%	0.553	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-85.9	144.5	176	-69.9	-92	0	0	0	112.3	R20 L21	F15-R20 CarbonylContact C-O 3.53Å; F15-R20 WeakPolarHBondContact CA-O 3.08Å; F15-L21 HydrophobicContact CD1-CD2 4Å; F15-L21 HydrophobicContact CD1-CG 4.28Å; F15-L21 HydrophobicContact CD2-CD2 3.97Å; F15-L21 HydrophobicContact CE1-CD2 3.83Å; F15-L21 HydrophobicContact CE1-CG 3.92Å; F15-L21 HydrophobicContact CE2-CD2 3.78Å; F15-L21 HydrophobicContact CG-CD2 4.08Å; F15-L21 HydrophobicContact CZ-CD2 3.71Å; F15-L21 HydrophobicContact CZ-CG 4.14Å
16	S	88.5	Confident	84.2	Confident	11 Å²	11	75.4 Å²	75.4	8%	0.077	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-73.6	162.4	166.5	87.8	0	0	0	0	111.1	E18 G19 R20 F22	S16-E18 VanDerWaalsContact CB-OE2 3.27Å; S16-E18 WeakPolarHBondContact CB-OE2 3.29Å; S16-E18 PolarHBondContact O-N 3.07Å; S16-E18 VanDerWaalsContact O-N 3.09Å; S16-E18 PolarHBondContact OG-N 2.92Å; S16-E18 PolarHBondContact OG-OE2 3.08Å; S16-G19 PolarHBondContact O-N 3.47Å; S16-R20 PolarHBondContact N-O 2.76Å; S16-R20 PolarHBondContact OG-N 2.77Å; S16-F22 VanDerWaalsContact CA-CE2 3.5Å; S16-F22 VanDerWaalsContact CA-CZ 3.49Å
17	P	88.8	Confident	85.9	Confident	107 Å²	107	73.8 Å²	73.8	70%	0.695	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-24.1	172.1	-26.6	36.3	0	0	0	114.2	G19	P17-G19 VanDerWaalsContact C-N 3.3Å
18	E	88.9	Confident	87.7	Confident	128 Å²	128	71.2 Å²	71.2	60%	0.598	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	0.7	176.2	-55.2	72.2	-155.5	0	0	113.4	S16	S16-E18 VanDerWaalsContact CB-OE2 3.27Å; S16-E18 WeakPolarHBondContact CB-OE2 3.29Å; S16-E18 PolarHBondContact O-N 3.07Å; S16-E18 VanDerWaalsContact O-N 3.09Å; S16-E18 PolarHBondContact OG-N 2.92Å; S16-E18 PolarHBondContact OG-OE2 3.08Å
19	G	90.8	Very high	89.3	Confident	50 Å²	50	69.4 Å²	69.4	52%	0.515	35%	0.345	S	S	.	.	S	Bend	trans	81.7	19.9	177.3	0	0	0	0	0	115	S16 P17	S16-G19 PolarHBondContact O-N 3.47Å; P17-G19 VanDerWaalsContact C-N 3.3Å
20	R	91	Very high	90.4	Very high	126 Å²	126	67.9 Å²	67.9	48%	0.475	34%	0.34	S	S	.	.			trans	-106.6	147.1	177.8	-56	-162.3	-61.1	-100.5	2.1	111.5	F15 S16 F22 E25	F15-R20 CarbonylContact C-O 3.53Å; F15-R20 WeakPolarHBondContact CA-O 3.08Å; S16-R20 PolarHBondContact N-O 2.76Å; S16-R20 PolarHBondContact OG-N 2.77Å; R20-F22 PolarHBondContact O-N 3.05Å; R20-E25 HydrophobicContact CB-CG 4.07Å; R20-E25 VanDerWaalsContact CD-OE1 3.31Å; R20-E25 WeakPolarHBondContact CD-OE1 3.34Å; R20-E25 IonicContact CZ-OE2 3.4Å; R20-E25 IonicContact NE-OE1 3.6Å; R20-E25 PolarHBondContact NE-OE1 2.88Å; R20-E25 IonicContact NE-OE2 3.66Å; R20-E25 PolarHBondContact NE-OE2 2.92Å; R20-E25 IonicContact NH2-OE2 3.59Å; R20-E25 PolarHBondContact NH2-OE2 2.87Å; R20-E25 VanDerWaalsContact NH2-OE2 3.17Å
21	L	92	Very high	91.3	Very high	42 Å²	42	57 Å²	57	22%	0.22	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-76	122.2	176.2	-73.8	174.6	0	0	0	110.5	F15 Q23 V24 E25 F123	F15-L21 HydrophobicContact CD1-CD2 4Å; F15-L21 HydrophobicContact CD1-CG 4.28Å; F15-L21 HydrophobicContact CD2-CD2 3.97Å; F15-L21 HydrophobicContact CE1-CD2 3.83Å; F15-L21 HydrophobicContact CE1-CG 3.92Å; F15-L21 HydrophobicContact CE2-CD2 3.78Å; F15-L21 HydrophobicContact CG-CD2 4.08Å; F15-L21 HydrophobicContact CZ-CD2 3.71Å; F15-L21 HydrophobicContact CZ-CG 4.14Å; L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 2.83Å; L21-V24 HydrophobicContact CB-CB 4.17Å; L21-V24 HydrophobicContact CB-CG2 3.88Å; L21-V24 HydrophobicContact CD1-CG2 4.16Å; L21-V24 PolarHBondContact O-N 3.21Å; L21-E25 WeakPolarHBondContact O-CG 3.29Å; L21-E25 PolarHBondContact O-N 2.93Å; L21-E25 VanDerWaalsContact O-N 3.14Å; L21-F123 HydrophobicContact CD1-CZ 4.28Å
22	F	92.3	Very high	91.8	Very high	35 Å²	35	59.9 Å²	59.9	15%	0.154	31%	0.309	C	S	.	.	H	α-helix	trans	-57.9	-44	-176.7	-79.3	-63.5	0	0	0	113.1	T14 S16 R20 V24 E25 Y26	T14-F22 PolarHBondContact O-N 3.36Å; S16-F22 VanDerWaalsContact CA-CE2 3.5Å; S16-F22 VanDerWaalsContact CA-CZ 3.49Å; R20-F22 PolarHBondContact O-N 3.05Å; F22-V24 VanDerWaalsContact C-N 3.28Å; F22-V24 PolarHBondContact O-N 3Å; F22-E25 PolarHBondContact O-N 3.29Å; F22-Y26 HydrophobicContact CB-CE2 3.98Å; F22-Y26 HydrophobicContact CD1-CE1 4.33Å; F22-Y26 WeakPolarHBondContact O-CD1 2.96Å; F22-Y26 WeakPolarHBondContact O-CD2 3.44Å; F22-Y26 PolarHBondContact O-N 3.16Å
23	Q	92.9	Very high	92.2	Very high	47 Å²	47	64.9 Å²	64.9	22%	0.22	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-34.1	-178.4	-64.7	-57.1	-44.4	0	0	112.7	V12 L21 A27 P136	V12-Q23 HydrophobicContact CG1-CG 4.31Å; V12-Q23 WeakPolarHBondContact O-CG 3.39Å; L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 2.83Å; Q23-A27 WeakPolarHBondContact O-CB 3.44Å; Q23-A27 PolarHBondContact O-N 2.93Å; Q23-P136 HydrophobicContact CB-CG 4.03Å; Q23-P136 WeakPolarHBondContact O-CG 3.42Å
24	V	94.4	Very high	92.6	Very high	13 Å²	13	61.6 Å²	61.6	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-69.5	-44.6	176.1	177.5	0	0	0	0	110.4	L21 F22 Y26 A27 I28 F123	L21-V24 HydrophobicContact CB-CB 4.17Å; L21-V24 HydrophobicContact CB-CG2 3.88Å; L21-V24 HydrophobicContact CD1-CG2 4.16Å; L21-V24 PolarHBondContact O-N 3.21Å; F22-V24 VanDerWaalsContact C-N 3.28Å; F22-V24 PolarHBondContact O-N 3Å; V24-Y26 VanDerWaalsContact C-N 3.3Å; V24-Y26 PolarHBondContact O-N 3.05Å; V24-A27 PolarHBondContact O-N 3.31Å; V24-A27 VanDerWaalsContact O-N 3.17Å; V24-I28 HydrophobicContact CG1-CD1 4.02Å; V24-I28 WeakPolarHBondContact O-CG1 3.33Å; V24-I28 PolarHBondContact O-N 3.28Å; V24-F123 HydrophobicContact CG2-CE1 4.08Å; V24-F123 HydrophobicContact CG2-CZ 3.55Å
25	E	94.3	Very high	92.9	Very high	60 Å²	60	59.7 Å²	59.7	28%	0.28	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-41.6	176.3	-61.8	-74.9	120.2	0	0	111.3	R20 L21 F22 A27 I28 E29	R20-E25 HydrophobicContact CB-CG 4.07Å; R20-E25 VanDerWaalsContact CD-OE1 3.31Å; R20-E25 WeakPolarHBondContact CD-OE1 3.34Å; R20-E25 IonicContact CZ-OE2 3.4Å; R20-E25 IonicContact NE-OE1 3.6Å; R20-E25 PolarHBondContact NE-OE1 2.88Å; R20-E25 IonicContact NE-OE2 3.66Å; R20-E25 PolarHBondContact NE-OE2 2.92Å; R20-E25 IonicContact NH2-OE2 3.59Å; R20-E25 PolarHBondContact NH2-OE2 2.87Å; R20-E25 VanDerWaalsContact NH2-OE2 3.17Å; L21-E25 WeakPolarHBondContact O-CG 3.29Å; L21-E25 PolarHBondContact O-N 2.93Å; L21-E25 VanDerWaalsContact O-N 3.14Å; F22-E25 PolarHBondContact O-N 3.29Å; E25-A27 VanDerWaalsContact C-N 3.34Å; E25-A27 PolarHBondContact O-N 3.46Å; E25-I28 PolarHBondContact O-N 3.02Å; E25-E29 WeakPolarHBondContact O-CG 3.25Å; E25-E29 PolarHBondContact O-N 2.88Å
26	Y	94.4	Very high	93.3	Very high	91 Å²	91	53.7 Å²	53.7	36%	0.357	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-39.3	176.1	-59.8	-21.4	0	0	0	112.3	S6 D9 F22 V24 E29 A30	S6-Y26 PolarHBondContact OG-OH 3.47Å; D9-Y26 HydrophobicContact CB-CE2 4.24Å; F22-Y26 HydrophobicContact CB-CE2 3.98Å; F22-Y26 HydrophobicContact CD1-CE1 4.33Å; F22-Y26 WeakPolarHBondContact O-CD1 2.96Å; F22-Y26 WeakPolarHBondContact O-CD2 3.44Å; F22-Y26 PolarHBondContact O-N 3.16Å; V24-Y26 VanDerWaalsContact C-N 3.3Å; V24-Y26 PolarHBondContact O-N 3.05Å; Y26-E29 PolarHBondContact O-N 2.88Å; Y26-A30 PolarHBondContact O-N 2.92Å
27	A	95.6	Very high	93.7	Very high	9 Å²	9	53.2 Å²	53.2	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-37.7	174.9	0	0	0	0	0	112.1	Q23 V24 E25 A30 I31 P136 P158	Q23-A27 WeakPolarHBondContact O-CB 3.44Å; Q23-A27 PolarHBondContact O-N 2.93Å; V24-A27 PolarHBondContact O-N 3.31Å; V24-A27 VanDerWaalsContact O-N 3.17Å; E25-A27 VanDerWaalsContact C-N 3.34Å; E25-A27 PolarHBondContact O-N 3.46Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 2.8Å; A27-I31 PolarHBondContact O-N 3.35Å; A27-P136 HydrophobicContact CB-CB 4.29Å; A27-P136 HydrophobicContact CB-CG 3.97Å; A27-P158 HydrophobicContact CB-CB 3.6Å; A27-P158 HydrophobicContact CB-CG 3.96Å
28	I	94.9	Very high	94.2	Very high	51 Å²	51	48.1 Å²	48.1	26%	0.262	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-43.9	174.2	-69.2	167.8	0	0	0	110.9	V24 E25 A30 I31	V24-I28 HydrophobicContact CG1-CD1 4.02Å; V24-I28 WeakPolarHBondContact O-CG1 3.33Å; V24-I28 PolarHBondContact O-N 3.28Å; E25-I28 PolarHBondContact O-N 3.02Å; I28-A30 VanDerWaalsContact C-N 3.29Å; I28-A30 PolarHBondContact O-N 3.18Å; I28-I31 WeakPolarHBondContact O-CB 3.39Å; I28-I31 PolarHBondContact O-N 2.93Å
29	E	94.3	Very high	94.7	Very high	98 Å²	98	42 Å²	42	46%	0.458	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-32.9	175.4	-69	-57.4	132.9	0	0	112.3	E25 Y26 I31 K32	E25-E29 WeakPolarHBondContact O-CG 3.25Å; E25-E29 PolarHBondContact O-N 2.88Å; Y26-E29 PolarHBondContact O-N 2.88Å; E29-I31 PolarHBondContact O-N 3.45Å; E29-K32 WeakPolarHBondContact O-CB 3.2Å; E29-K32 PolarHBondContact O-N 2.85Å; E29-K32 VanDerWaalsContact O-N 3.1Å; E29-K32 IonicContact OE1-NZ 3.1Å; E29-K32 PolarHBondContact OE1-NZ 2.87Å; E29-K32 WeakPolarHBondContact OE2-CD 3.39Å; E29-K32 IonicContact OE2-NZ 2.77Å; E29-K32 PolarHBondContact OE2-NZ 3.37Å
30	A	92.8	Very high	95.1	Very high	27 Å²	27	39.7 Å²	39.7	22%	0.223	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-29.2	175.6	0	0	0	0	0	112.9	Y26 A27 I28 K32 L33	Y26-A30 PolarHBondContact O-N 2.92Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 2.8Å; I28-A30 VanDerWaalsContact C-N 3.29Å; I28-A30 PolarHBondContact O-N 3.18Å; A30-K32 PolarHBondContact O-N 3.25Å; A30-L33 WeakPolarHBondContact O-CB 3.43Å; A30-L33 PolarHBondContact O-N 2.93Å; A30-L33 VanDerWaalsContact O-N 3.1Å
31	I	95.8	Very high	95.4	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.072	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-34	175.7	-63.6	164.2	0	0	0	111.2	A27 I28 E29 L33 G34 A140 P158 G171	A27-I31 PolarHBondContact O-N 3.35Å; I28-I31 WeakPolarHBondContact O-CB 3.39Å; I28-I31 PolarHBondContact O-N 2.93Å; E29-I31 PolarHBondContact O-N 3.45Å; I31-L33 PolarHBondContact O-N 3Å; I31-G34 PolarHBondContact O-N 3.4Å; I31-A140 HydrophobicContact CD1-CB 3.55Å; I31-A140 HydrophobicContact CG1-CB 4.13Å; I31-A140 HydrophobicContact CG2-CB 3.86Å; I31-P158 HydrophobicContact CD1-CG 3.5Å; I31-P158 VanDerWaalsContact CD1-CG 3.5Å; I31-P158 HydrophobicContact CG1-CG 4.26Å; I31-G171 WeakPolarHBondContact O-CA 3.49Å
32	K	93.9	Very high	95.7	Very high	76 Å²	76	33.2 Å²	33.2	33%	0.33	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-4	177.1	-58.8	-178.2	-174.3	163.6	0	113.2	E29 A30 S172	E29-K32 WeakPolarHBondContact O-CB 3.2Å; E29-K32 PolarHBondContact O-N 2.85Å; E29-K32 VanDerWaalsContact O-N 3.1Å; E29-K32 IonicContact OE1-NZ 3.1Å; E29-K32 PolarHBondContact OE1-NZ 2.87Å; E29-K32 WeakPolarHBondContact OE2-CD 3.39Å; E29-K32 IonicContact OE2-NZ 2.77Å; E29-K32 PolarHBondContact OE2-NZ 3.37Å; A30-K32 PolarHBondContact O-N 3.25Å; K32-S172 WeakPolarHBondContact O-CA 3.42Å; K32-S172 WeakPolarHBondContact O-CB 3.3Å
33	L	93.8	Very high	96	Very high	135 Å²	135	35.6 Å²	35.6	71%	0.707	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-14.1	170.5	-56	178	0	0	0	112.3	A30 I31 R53	A30-L33 WeakPolarHBondContact O-CB 3.43Å; A30-L33 PolarHBondContact O-N 2.93Å; A30-L33 VanDerWaalsContact O-N 3.1Å; I31-L33 PolarHBondContact O-N 3Å; L33-R53 PolarHBondContact O-NH1 3.47Å; L33-R53 VanDerWaalsContact O-NH1 3.08Å
34	G	95.2	Very high	96.2	Very high	5 Å²	5	37.5 Å²	37.5	5%	0.052	19%	0.194	C	C	.	.	S	Bend	trans	-67.9	159	178.3	0	0	0	0	0	113.5	I31 R53 S79 S172	I31-G34 PolarHBondContact O-N 3.4Å; G34-R53 PolarHBondContact O-NH2 3.02Å; G34-S79 WeakPolarHBondContact CA-OG 3.26Å; G34-S172 WeakPolarHBondContact O-CB 3.43Å; G34-S172 PolarHBondContact O-N 2.84Å; G34-S172 PolarHBondContact O-OG 2.85Å
35	S	95.8	Very high	96.4	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.021	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-66.9	148.8	171.8	58.3	0	0	0	0	111	A37 E51 K66 S79	S35-A37 PolarHBondContact O-N 2.88Å; S35-E51 WeakPolarHBondContact CB-O 3.29Å; S35-E51 PolarHBondContact OG-O 3.37Å; S35-K66 WeakPolarHBondContact OG-CE 3.13Å; S35-K66 PolarHBondContact OG-NZ 2.88Å; S35-S79 WeakPolarHBondContact O-CB 3.45Å; S35-S79 PolarHBondContact O-OG 2.86Å
36	T	98.1	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-72.9	131.7	-171.8	-52.1	0	0	0	0	110.8	E51 I170 A173 A177 L202 V205	T36-E51 PolarHBondContact N-OE2 3.36Å; T36-E51 VanDerWaalsContact N-OE2 3.07Å; T36-E51 PolarHBondContact O-N 2.77Å; T36-E51 PolarHBondContact OG1-OE2 3.39Å; T36-I170 WeakPolarHBondContact CA-O 3.46Å; T36-A173 HydrophobicContact CG2-CB 4.45Å; T36-A173 WeakPolarHBondContact OG1-CB 3.45Å; T36-A173 PolarHBondContact OG1-N 3.11Å; T36-A177 HydrophobicContact CG2-CB 4.41Å; T36-L202 HydrophobicContact CG2-CD2 4.05Å; T36-V205 HydrophobicContact CG2-CG2 4.17Å
37	A	98.5	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.7	174.1	0	0	0	0	0	109.9	S35 A49 V50 A77 L142 A169 I170	S35-A37 PolarHBondContact O-N 2.88Å; A37-A49 CarbonylContact C-O 3.52Å; A37-A49 WeakPolarHBondContact CA-O 3.5Å; A37-V50 HydrophobicContact CB-CB 4.3Å; A37-V50 HydrophobicContact CB-CG1 3.97Å; A37-V50 HydrophobicContact CB-CG2 3.67Å; A37-A77 HydrophobicContact CB-CB 4.45Å; A37-L142 HydrophobicContact CB-CD1 4.41Å; A37-A169 CarbonylContact O-C 3.46Å; A37-A169 VanDerWaalsContact O-CA 3.32Å; A37-A169 WeakPolarHBondContact O-CA 3.24Å; A37-I170 HydrophobicContact CB-CD1 4.3Å; A37-I170 HydrophobicContact CB-CG1 3.79Å; A37-I170 PolarHBondContact N-O 3.16Å; A37-I170 PolarHBondContact O-N 2.76Å
38	I	98.8	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.6	-178.9	-63.2	179.4	0	0	0	108.7	I40 L48 A49 R168 A169 A177 L181 I201 L202	I38-I40 HydrophobicContact CG2-CD1 4.26Å; I38-I40 HydrophobicContact CG2-CG1 3.98Å; I38-L48 WeakPolarHBondContact O-CA 3.28Å; I38-A49 PolarHBondContact N-O 3.18Å; I38-A49 PolarHBondContact O-N 3.27Å; I38-R168 WeakPolarHBondContact CA-O 3.31Å; I38-A169 HydrophobicContact CG1-CB 4.19Å; I38-A177 HydrophobicContact CD1-CB 4.15Å; I38-L181 HydrophobicContact CG2-CD1 4.08Å; I38-L181 HydrophobicContact CG2-CD2 4.09Å; I38-I201 HydrophobicContact CD1-CB 3.87Å; I38-I201 HydrophobicContact CD1-CG2 3.52Å; I38-L202 HydrophobicContact CD1-CD2 3.95Å; I38-L202 HydrophobicContact CD1-CG 3.95Å; I38-L202 HydrophobicContact CG1-CD2 4.23Å
39	G	98.8	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137	169.2	0	0	0	0	0	110.6	C47 L153 A167 R168	G39-C47 CarbonylContact C-O 3.55Å; G39-C47 VanDerWaalsContact CA-O 3.32Å; G39-C47 WeakPolarHBondContact CA-O 3.13Å; G39-L153 VanDerWaalsContact C-CD2 3.45Å; G39-L153 WeakPolarHBondContact O-CD2 3.43Å; G39-A167 CarbonylContact O-C 3.56Å; G39-A167 VanDerWaalsContact O-CA 3.23Å; G39-A167 WeakPolarHBondContact O-CA 3.45Å; G39-R168 PolarHBondContact N-O 3.43Å; G39-R168 PolarHBondContact O-N 2.86Å
40	I	98.8	Very high	97.3	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.6	175.4	-53.9	178.5	0	0	0	109.1	I38 T42 V46 C47 A167 L181 Y185 A194	I38-I40 HydrophobicContact CG2-CD1 4.26Å; I38-I40 HydrophobicContact CG2-CG1 3.98Å; I40-T42 HydrophobicContact CG2-CG2 4.36Å; I40-V46 WeakPolarHBondContact O-CA 3.32Å; I40-C47 PolarHBondContact N-O 2.79Å; I40-C47 PolarHBondContact O-N 3.18Å; I40-A167 HydrophobicContact CG1-CB 4.23Å; I40-A167 HydrophobicContact CG2-CB 4.42Å; I40-L181 HydrophobicContact CD1-CD2 3.7Å; I40-L181 HydrophobicContact CG1-CD2 3.94Å; I40-Y185 HydrophobicContact CG2-CD2 4.05Å; I40-Y185 HydrophobicContact CG2-CE2 4.1Å; I40-A194 HydrophobicContact CB-CB 4.16Å; I40-A194 HydrophobicContact CD1-CB 4.39Å; I40-A194 HydrophobicContact CG2-CB 3.77Å
41	Q	98.6	Very high	97.5	Very high	30 Å²	30	21.4 Å²	21.4	14%	0.14	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.9	172.3	-179.8	-85.8	-42.1	0	0	110.1	V46 P151 L153 D166 Y185	Q41-V46 HydrophobicContact CG-CG2 4.41Å; Q41-P151 HydrophobicContact CG-CB 4.29Å; Q41-P151 WeakPolarHBondContact CG-O 3.46Å; Q41-L153 HydrophobicContact CB-CB 3.92Å; Q41-D166 WeakPolarHBondContact CB-O 3.5Å; Q41-D166 PolarHBondContact N-O 3.3Å; Q41-Y185 PolarHBondContact O-OH 2.89Å
42	T	98.6	Very high	97.4	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.012	11%	0.114	C	C	.	.			trans	-125.3	170.4	173.3	70.7	0	0	0	0	109.9	I40 E44 G45 P151 M189 A194	I40-T42 HydrophobicContact CG2-CG2 4.36Å; T42-E44 PolarHBondContact O-N 2.73Å; T42-E44 PolarHBondContact OG1-N 2.61Å; T42-G45 PolarHBondContact N-O 2.68Å; T42-G45 PolarHBondContact OG1-N 3.4Å; T42-G45 PolarHBondContact OG1-O 2.89Å; T42-P151 WeakPolarHBondContact O-CB 3.49Å; T42-P151 WeakPolarHBondContact O-CG 3.49Å; T42-M189 WeakPolarHBondContact CB-O 3.41Å; T42-M189 WeakPolarHBondContact CG2-O 3.12Å; T42-A194 HydrophobicContact CG2-CB 3.59Å
43	S	97.2	Very high	97.3	Very high	86 Å²	86	22 Å²	22	60%	0.601	11%	0.114	S	C	*	.	S	Bend	trans	-66.9	-20.1	171.6	53.8	0	0	0	0	113.5
44	E	97.6	Very high	97.1	Very high	87 Å²	87	16.8 Å²	16.8	41%	0.407	9%	0.086	S	C	.	.	S	Bend	trans	-90.3	-25.5	-178.6	-67.1	177.6	175.7	0	0	112.3	T42 T190 L191 E221 P222	T42-E44 PolarHBondContact O-N 2.73Å; T42-E44 PolarHBondContact OG1-N 2.61Å; E44-T190 WeakPolarHBondContact OE2-CA 3.42Å; E44-T190 WeakPolarHBondContact OE2-CB 3.41Å; E44-L191 HydrophobicContact CB-CB 3.93Å; E44-L191 PolarHBondContact OE2-N 3.47Å; E44-E221 WeakPolarHBondContact O-CB 3.43Å; E44-P222 WeakPolarHBondContact O-CD 3.41Å
45	G	98	Very high	96.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.			trans	166.2	-172.7	-176.9	0	0	0	0	0	113	T42 I220	T42-G45 PolarHBondContact N-O 2.68Å; T42-G45 PolarHBondContact OG1-N 3.4Å; T42-G45 PolarHBondContact OG1-O 2.89Å; G45-I220 CarbonylContact C-O 3.59Å; G45-I220 WeakPolarHBondContact CA-O 3.29Å
46	V	98.6	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137	175.9	-173.6	0	0	0	0	109.8	I40 Q41 L48 P151 Q152 L153 T219 I220	I40-V46 WeakPolarHBondContact O-CA 3.32Å; Q41-V46 HydrophobicContact CG-CG2 4.41Å; V46-L48 HydrophobicContact CG1-CD2 4.49Å; V46-P151 HydrophobicContact CG2-CB 3.85Å; V46-Q152 WeakPolarHBondContact CG2-O 3.36Å; V46-L153 HydrophobicContact CG1-CB 4.39Å; V46-L153 HydrophobicContact CG1-CD1 4.2Å; V46-T219 CarbonylContact O-C 3.58Å; V46-T219 VanDerWaalsContact O-CA 3.26Å; V46-T219 WeakPolarHBondContact O-CA 3.02Å; V46-I220 HydrophobicContact CB-CD1 4.42Å; V46-I220 PolarHBondContact N-O 2.92Å; V46-I220 PolarHBondContact O-N 3.17Å
47	C	98.5	Very high	96.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.9	171.9	171.9	0	0	0	0	109.4	G39 I40 L191 A194 I195 L217	G39-C47 CarbonylContact C-O 3.55Å; G39-C47 VanDerWaalsContact CA-O 3.32Å; G39-C47 WeakPolarHBondContact CA-O 3.13Å; I40-C47 PolarHBondContact N-O 2.79Å; I40-C47 PolarHBondContact O-N 3.18Å; C47-L191 HydrophobicContact CB-CD1 4.06Å; C47-A194 HydrophobicContact CB-CB 4.49Å; C47-I195 HydrophobicContact CB-CG1 4.29Å; C47-L217 VanDerWaalsContact SG-CD1 3.51Å
48	L	98.9	Very high	96.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.4	170.1	-63.5	176.9	0	0	0	108.4	I38 V46 I67 A77 L142 L153 L217 A218 I220	I38-L48 WeakPolarHBondContact O-CA 3.28Å; V46-L48 HydrophobicContact CG1-CD2 4.49Å; L48-I67 HydrophobicContact CB-CD1 4.06Å; L48-I67 HydrophobicContact CD1-CG2 4.23Å; L48-I67 VanDerWaalsContact O-CD1 3.25Å; L48-I67 WeakPolarHBondContact O-CD1 3.48Å; L48-A77 HydrophobicContact CB-CB 4.36Å; L48-A77 HydrophobicContact CD1-CB 4.28Å; L48-A77 HydrophobicContact CD2-CB 4.3Å; L48-L142 HydrophobicContact CD2-CB 4.17Å; L48-L153 HydrophobicContact CD2-CD1 3.97Å; L48-L217 CarbonylContact O-C 3.58Å; L48-L217 WeakPolarHBondContact O-CA 3.31Å; L48-A218 PolarHBondContact N-O 3.19Å; L48-A218 PolarHBondContact O-N 3.44Å; L48-I220 HydrophobicContact CD1-CD1 4.26Å
49	A	98.7	Very high	95.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.9	179	0	0	0	0	0	110.2	A37 I38 L199 L202 E216 L217	A37-A49 CarbonylContact C-O 3.52Å; A37-A49 WeakPolarHBondContact CA-O 3.5Å; I38-A49 PolarHBondContact N-O 3.18Å; I38-A49 PolarHBondContact O-N 3.27Å; A49-L199 HydrophobicContact CB-CD2 4.35Å; A49-L202 HydrophobicContact CB-CD1 3.76Å; A49-E216 CarbonylContact C-O 3.55Å; A49-E216 WeakPolarHBondContact CA-O 3.38Å; A49-L217 HydrophobicContact CB-CD1 3.88Å
50	V	98.3	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.3	-174.2	-170.7	0	0	0	0	111.7	A37 K66 I67 A77 I215 E216	A37-V50 HydrophobicContact CB-CB 4.3Å; A37-V50 HydrophobicContact CB-CG1 3.97Å; A37-V50 HydrophobicContact CB-CG2 3.67Å; V50-K66 HydrophobicContact CB-CB 4.05Å; V50-K66 HydrophobicContact CG1-CB 3.53Å; V50-K66 HydrophobicContact CG1-CG 4.03Å; V50-K66 HydrophobicContact CG2-CB 4.48Å; V50-I67 HydrophobicContact CB-CD1 4.48Å; V50-I67 HydrophobicContact CB-CG1 4.2Å; V50-I67 HydrophobicContact CG2-CD1 3.87Å; V50-I67 HydrophobicContact CG2-CG1 3.46Å; V50-I67 VanDerWaalsContact CG2-CG1 3.46Å; V50-A77 HydrophobicContact CG2-CB 3.69Å; V50-I215 CarbonylContact O-C 3.59Å; V50-I215 WeakPolarHBondContact O-CA 3.24Å; V50-E216 PolarHBondContact N-O 3.23Å; V50-E216 PolarHBondContact O-N 3.28Å
51	E	96.6	Very high	95.1	Very high	11 Å²	11	48.5 Å²	48.5	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.9	168	177	-161.3	170.4	0	0	110.9	S35 T36 R53 M206	S35-E51 WeakPolarHBondContact CB-O 3.29Å; S35-E51 PolarHBondContact OG-O 3.37Å; T36-E51 PolarHBondContact N-OE2 3.36Å; T36-E51 VanDerWaalsContact N-OE2 3.07Å; T36-E51 PolarHBondContact O-N 2.77Å; T36-E51 PolarHBondContact OG1-OE2 3.39Å; E51-R53 HydrophobicContact CG-CG 4.47Å; E51-R53 VanDerWaalsContact OE1-CG 3.26Å; E51-R53 WeakPolarHBondContact OE1-CG 3.43Å; E51-R53 IonicContact OE1-NE 3.17Å; E51-R53 PolarHBondContact OE1-NE 2.85Å; E51-R53 VanDerWaalsContact OE1-NE 3.14Å; E51-R53 IonicContact OE1-NH2 3.39Å; E51-R53 IonicContact OE2-NE 2.79Å; E51-R53 IonicContact OE2-NH2 3.38Å; E51-M206 HydrophobicContact CB-CG 4.31Å; E51-M206 HydrophobicContact CB-SD 4.47Å; E51-M206 HydrophobicContact CG-CE 4.14Å; E51-M206 HydrophobicContact CG-CG 3.94Å; E51-M206 HydrophobicContact CG-SD 4.33Å
52	K	94.8	Very high	94.7	Very high	17 Å²	17	50.9 Å²	50.9	7%	0.074	29%	0.285	C	S	.	.			trans	-103.6	116.4	166.3	-65.2	-160.4	-78.6	-162.1	0	110.7	I54 P61 I64 K66 T213 N214 I215 E216	K52-I54 PolarHBondContact O-N 2.8Å; K52-P61 PolarHBondContact NZ-O 3.13Å; K52-I64 HydrophobicContact CD-CB 4.31Å; K52-I64 HydrophobicContact CD-CG2 4.33Å; K52-I64 WeakPolarHBondContact CD-O 3.05Å; K52-K66 HydrophobicContact CG-CG 4.45Å; K52-T213 VanDerWaalsContact CE-O 3.31Å; K52-T213 WeakPolarHBondContact CE-O 3.43Å; K52-N214 PolarHBondContact N-O 3.26Å; K52-I215 WeakPolarHBondContact CE-O 3.44Å; K52-E216 HydrophobicContact CD-CG 3.65Å; K52-E216 WeakPolarHBondContact CD-OE1 3.22Å; K52-E216 HydrophobicContact CG-CG 4.02Å; K52-E216 IonicContact NZ-OE1 2.74Å; K52-E216 PolarHBondContact NZ-OE1 3.37Å
53	R	90.4	Very high	94.3	Very high	86 Å²	86	55 Å²	55	33%	0.325	31%	0.314	S	S	.	.			trans	-82.7	99	172.9	-71.5	-172.9	-173.5	152.7	10.6	110.9	L33 G34 E51 S172	L33-R53 PolarHBondContact O-NH1 3.47Å; L33-R53 VanDerWaalsContact O-NH1 3.08Å; G34-R53 PolarHBondContact O-NH2 3.02Å; E51-R53 HydrophobicContact CG-CG 4.47Å; E51-R53 VanDerWaalsContact OE1-CG 3.26Å; E51-R53 WeakPolarHBondContact OE1-CG 3.43Å; E51-R53 IonicContact OE1-NE 3.17Å; E51-R53 PolarHBondContact OE1-NE 2.85Å; E51-R53 VanDerWaalsContact OE1-NE 3.14Å; E51-R53 IonicContact OE1-NH2 3.39Å; E51-R53 IonicContact OE2-NE 2.79Å; E51-R53 IonicContact OE2-NH2 3.38Å; R53-S172 PolarHBondContact NH2-OG 2.79Å
54	I	90.9	Very high	94	Very high	25 Å²	25	52.3 Å²	52.3	13%	0.128	29%	0.292	C	S	.	.			trans	-95	99.1	174.9	-59.5	163.8	0	0	0	107.3	K52 S56 M59 P61 I64 T213 N214	K52-I54 PolarHBondContact O-N 2.8Å; I54-S56 VanDerWaalsContact C-N 3.29Å; I54-S56 WeakPolarHBondContact CG2-O 3.42Å; I54-S56 PolarHBondContact O-N 3.08Å; I54-M59 HydrophobicContact CG2-CB 4.23Å; I54-P61 HydrophobicContact CD1-CB 3.75Å; I54-P61 HydrophobicContact CD1-CG 3.82Å; I54-I64 HydrophobicContact CG1-CD1 4.38Å; I54-T213 VanDerWaalsContact CD1-O 3.27Å; I54-T213 WeakPolarHBondContact CD1-O 3.49Å; I54-N214 HydrophobicContact CD1-CB 4.29Å
55	T	89	Confident	93.8	Very high	123 Å²	123	54 Å²	54	76%	0.755	30%	0.3	S	S	*	.			trans	-82.8	-7.8	-173.1	56.9	0	0	0	0	113.6	M59	T55-M59 PolarHBondContact OG1-SD 2.73Å; T55-M59 VanDerWaalsContact OG1-SD 3.37Å
56	S	91.9	Very high	93.7	Very high	39 Å²	39	55 Å²	55	27%	0.273	31%	0.305	S	S	.	.			trans	-150.6	140.6	-179.8	172.6	0	0	0	0	111.1	I54 L58 M59	I54-S56 VanDerWaalsContact C-N 3.29Å; I54-S56 WeakPolarHBondContact CG2-O 3.42Å; I54-S56 PolarHBondContact O-N 3.08Å; S56-L58 PolarHBondContact O-N 3.02Å; S56-L58 VanDerWaalsContact O-N 3.08Å; S56-L58 PolarHBondContact OG-N 3.37Å; S56-M59 WeakPolarHBondContact O-CB 3.29Å; S56-M59 PolarHBondContact O-N 3.19Å
57	P	90.1	Very high	93.7	Very high	133 Å²	133	55.1 Å²	55.1	86%	0.864	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-9	173.6	29.7	-36.8	0	0	0	113.4	M59	P57-M59 VanDerWaalsContact C-N 3.34Å
58	L	95.2	Very high	93.7	Very high	163 Å²	163	55.7 Å²	55.7	85%	0.853	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-5.5	174.8	-57.3	177.9	0	0	0	112.9	S56	S56-L58 PolarHBondContact O-N 3.02Å; S56-L58 VanDerWaalsContact O-N 3.08Å; S56-L58 PolarHBondContact OG-N 3.37Å
59	M	93.3	Very high	93.7	Very high	71 Å²	71	59.9 Å²	59.9	35%	0.35	33%	0.328	S	S	.	.	S	Bend	trans	-84.5	133.2	174.8	-65.9	178	77.9	0	0	109.7	I54 T55 S56 P57 P61 I64	I54-M59 HydrophobicContact CG2-CB 4.23Å; T55-M59 PolarHBondContact OG1-SD 2.73Å; T55-M59 VanDerWaalsContact OG1-SD 3.37Å; S56-M59 WeakPolarHBondContact O-CB 3.29Å; S56-M59 PolarHBondContact O-N 3.19Å; P57-M59 VanDerWaalsContact C-N 3.34Å; M59-P61 WeakPolarHBondContact O-CD 3.44Å; M59-I64 HydrophobicContact CE-CD1 3.6Å; M59-I64 HydrophobicContact CE-CG1 4.4Å
60	E	93.3	Very high	93.6	Very high	114 Å²	114	60.2 Å²	60.2	53%	0.533	33%	0.33	S	S	.	.			trans	-77.8	110.7	173.2	177.1	47.4	-123.5	0	0	109.6	S62 S63	E60-S62 VanDerWaalsContact CD-OG 3.28Å; E60-S62 VanDerWaalsContact CG-OG 3.24Å; E60-S62 WeakPolarHBondContact CG-OG 3.25Å; E60-S62 PolarHBondContact O-N 2.9Å; E60-S62 WeakPolarHBondContact OE1-CB 3.3Å; E60-S62 PolarHBondContact OE1-N 3.39Å; E60-S62 PolarHBondContact OE1-OG 2.85Å; E60-S63 WeakPolarHBondContact O-CB 3.44Å; E60-S63 PolarHBondContact O-N 3.29Å; E60-S63 PolarHBondContact O-OG 3.49Å
61	P	89.9	Confident	93.6	Very high	31 Å²	31	61.2 Å²	61.2	20%	0.201	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-62.5	-27	-173.8	-26	38.3	0	0	0	114.2	K52 I54 M59 S63 I64	K52-P61 PolarHBondContact NZ-O 3.13Å; I54-P61 HydrophobicContact CD1-CB 3.75Å; I54-P61 HydrophobicContact CD1-CG 3.82Å; M59-P61 WeakPolarHBondContact O-CD 3.44Å; P61-S63 VanDerWaalsContact C-N 3.26Å; P61-S63 PolarHBondContact O-N 2.96Å; P61-I64 PolarHBondContact O-N 2.92Å
62	S	88.9	Confident	93.6	Very high	81 Å²	81	64 Å²	64	57%	0.566	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-71.6	-18.6	177.3	59.4	0	0	0	0	113.5	E60 I64	E60-S62 VanDerWaalsContact CD-OG 3.28Å; E60-S62 VanDerWaalsContact CG-OG 3.24Å; E60-S62 WeakPolarHBondContact CG-OG 3.25Å; E60-S62 PolarHBondContact O-N 2.9Å; E60-S62 WeakPolarHBondContact OE1-CB 3.3Å; E60-S62 PolarHBondContact OE1-N 3.39Å; E60-S62 PolarHBondContact OE1-OG 2.85Å; S62-I64 VanDerWaalsContact C-N 3.32Å
63	S	90.6	Very high	93.7	Very high	87 Å²	87	63.9 Å²	63.9	61%	0.608	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-80.6	-12.3	177.1	71.5	0	0	0	0	114.1	E60 P61	E60-S63 WeakPolarHBondContact O-CB 3.44Å; E60-S63 PolarHBondContact O-N 3.29Å; E60-S63 PolarHBondContact O-OG 3.49Å; P61-S63 VanDerWaalsContact C-N 3.26Å; P61-S63 PolarHBondContact O-N 2.96Å
64	I	91.6	Very high	94.1	Very high	30 Å²	30	59.8 Å²	59.8	15%	0.154	34%	0.338	C	S	.	.			trans	-100.8	100.4	179.4	-53.3	173.2	0	0	0	107.6	K52 I54 M59 P61 S62 K66	K52-I64 HydrophobicContact CD-CB 4.31Å; K52-I64 HydrophobicContact CD-CG2 4.33Å; K52-I64 WeakPolarHBondContact CD-O 3.05Å; I54-I64 HydrophobicContact CG1-CD1 4.38Å; M59-I64 HydrophobicContact CE-CD1 3.6Å; M59-I64 HydrophobicContact CE-CG1 4.4Å; P61-I64 PolarHBondContact O-N 2.92Å; S62-I64 VanDerWaalsContact C-N 3.32Å; I64-K66 HydrophobicContact CG2-CG 4.49Å
65	E	91.8	Very high	94.5	Very high	122 Å²	122	58.6 Å²	58.6	57%	0.57	33%	0.332	S	S	*	.			trans	-100.3	132.2	175.4	-62.9	174.6	173.8	0	0	109.8
66	K	97.1	Very high	94.9	Very high	21 Å²	21	52.8 Å²	52.8	9%	0.091	30%	0.296	C	S	.	.	S	Bend	trans	-125.4	-18.7	177.5	-67.9	-72.1	-175.6	141.7	0	112.5	S35 V50 K52 I64 A77 M78 I82 E216	S35-K66 WeakPolarHBondContact OG-CE 3.13Å; S35-K66 PolarHBondContact OG-NZ 2.88Å; V50-K66 HydrophobicContact CB-CB 4.05Å; V50-K66 HydrophobicContact CG1-CB 3.53Å; V50-K66 HydrophobicContact CG1-CG 4.03Å; V50-K66 HydrophobicContact CG2-CB 4.48Å; K52-K66 HydrophobicContact CG-CG 4.45Å; I64-K66 HydrophobicContact CG2-CG 4.49Å; K66-A77 WeakPolarHBondContact O-CA 3.41Å; K66-M78 HydrophobicContact CD-CG 4.41Å; K66-M78 WeakPolarHBondContact O-CG 3.24Å; K66-M78 PolarHBondContact O-N 2.87Å; K66-I82 HydrophobicContact CD-CD1 3.65Å; K66-I82 HydrophobicContact CD-CG1 4.31Å; K66-E216 WeakPolarHBondContact CA-OE2 2.96Å; K66-E216 PolarHBondContact N-OE2 3.04Å
67	I	98.4	Very high	95.2	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.4	165.9	-51.2	175.3	0	0	0	108.1	L48 V50 C76 A77 E216 A218 F226 M228	L48-I67 HydrophobicContact CB-CD1 4.06Å; L48-I67 HydrophobicContact CD1-CG2 4.23Å; L48-I67 VanDerWaalsContact O-CD1 3.25Å; L48-I67 WeakPolarHBondContact O-CD1 3.48Å; V50-I67 HydrophobicContact CB-CD1 4.48Å; V50-I67 HydrophobicContact CB-CG1 4.2Å; V50-I67 HydrophobicContact CG2-CD1 3.87Å; V50-I67 HydrophobicContact CG2-CG1 3.46Å; V50-I67 VanDerWaalsContact CG2-CG1 3.46Å; I67-C76 CarbonylContact C-O 3.57Å; I67-C76 WeakPolarHBondContact CA-O 3.33Å; I67-A77 HydrophobicContact CG1-CB 4.18Å; I67-E216 HydrophobicContact CD1-CB 3.8Å; I67-E216 HydrophobicContact CG1-CB 4.1Å; I67-E216 PolarHBondContact N-OE2 3.08Å; I67-A218 HydrophobicContact CD1-CB 4.12Å; I67-A218 HydrophobicContact CG2-CB 3.76Å; I67-F226 HydrophobicContact CG2-CE2 4.03Å; I67-F226 HydrophobicContact CG2-CZ 4.13Å; I67-M228 HydrophobicContact CB-CE 3.62Å; I67-M228 HydrophobicContact CG2-CE 3.82Å; I67-M228 WeakPolarHBondContact O-CE 3.48Å
68	V	98	Very high	95.6	Very high	12 Å²	12	44.8 Å²	44.8	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.8	179.5	-64.8	0	0	0	0	111.1	I70 G75 C76 M78 I89	V68-I70 HydrophobicContact CG2-CD1 3.98Å; V68-G75 WeakPolarHBondContact O-CA 3.45Å; V68-C76 HydrophobicContact CG2-CB 4.08Å; V68-C76 PolarHBondContact N-O 2.96Å; V68-C76 PolarHBondContact O-N 2.82Å; V68-M78 HydrophobicContact CB-CE 4.43Å; V68-M78 HydrophobicContact CG1-CE 3.64Å; V68-M78 HydrophobicContact CG2-CE 3.98Å; V68-I89 HydrophobicContact CG1-CD1 4.49Å; V68-I89 HydrophobicContact CG2-CD1 3.69Å; V68-I89 HydrophobicContact CG2-CG1 3.85Å; V68-I89 HydrophobicContact CG2-CG2 3.88Å
69	E	98.3	Very high	95.7	Very high	87 Å²	87	37 Å²	37	41%	0.407	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.1	167.5	-168	179.2	166.9	0	0	109.9	D71 R93 F226	E69-D71 WeakPolarHBondContact CG-O 3.45Å; E69-R93 PolarHBondContact O-NE 3.41Å; E69-R93 PolarHBondContact O-NH2 3.14Å; E69-F226 HydrophobicContact CB-CD1 3.69Å; E69-F226 HydrophobicContact CB-CE1 3.65Å; E69-F226 HydrophobicContact CB-CG 4.23Å; E69-F226 HydrophobicContact CB-CZ 4.13Å; E69-F226 HydrophobicContact CG-CB 4.28Å; E69-F226 HydrophobicContact CG-CD1 3.68Å; E69-F226 HydrophobicContact CG-CE1 4.18Å; E69-F226 HydrophobicContact CG-CG 3.95Å
70	I	98.4	Very high	95.9	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-44.6	172.5	-56.9	-53.9	0	0	0	110.2	V68 I74 C76 I89 A92 R93 T96 V112 F143	V68-I70 HydrophobicContact CG2-CD1 3.98Å; I70-I74 HydrophobicContact CB-CB 4.23Å; I70-I74 HydrophobicContact CB-CG2 3.99Å; I70-I74 WeakPolarHBondContact CB-O 3.33Å; I70-I74 HydrophobicContact CG1-CG2 4.28Å; I70-I74 HydrophobicContact CG2-CG2 4.44Å; I70-I74 PolarHBondContact N-O 3.13Å; I70-C76 HydrophobicContact CD1-CB 3.85Å; I70-C76 HydrophobicContact CG1-CB 3.71Å; I70-I89 HydrophobicContact CD1-CB 4.35Å; I70-I89 HydrophobicContact CD1-CG1 4.34Å; I70-I89 HydrophobicContact CD1-CG2 3.81Å; I70-A92 HydrophobicContact CD1-CB 4.09Å; I70-A92 HydrophobicContact CG1-CB 4.47Å; I70-A92 HydrophobicContact CG2-CB 3.61Å; I70-R93 HydrophobicContact CG2-CG 4.39Å; I70-R93 WeakPolarHBondContact O-CG 3.32Å; I70-T96 HydrophobicContact CG2-CG2 3.97Å; I70-V112 HydrophobicContact CG2-CG2 4.25Å; I70-F143 HydrophobicContact CG1-CE1 4.5Å
71	D	97.8	Very high	96	Very high	20 Å²	20	32.8 Å²	32.8	11%	0.107	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	169.8	171.8	-161	-10	0	0	0	107.3	E69 H73 I74 T96	E69-D71 WeakPolarHBondContact CG-O 3.45Å; D71-H73 PolarHBondContact O-N 3.48Å; D71-H73 IonicContact OD2-CE1 2.92Å; D71-H73 PolarHBondContact OD2-CE1 2.99Å; D71-H73 IonicContact OD2-ND1 3.66Å; D71-I74 HydrophobicContact CB-CB 4.5Å; D71-I74 PolarHBondContact N-O 2.93Å; D71-I74 CarbonylContact O-C 3.57Å; D71-I74 PolarHBondContact O-N 2.94Å; D71-T96 HydrophobicContact CB-CG2 4.34Å
72	T	95.8	Very high	96.2	Very high	71 Å²	71	33.5 Å²	33.5	44%	0.436	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-36.3	-177.5	57	0	0	0	0	112.5	T225 F226	T72-T225 WeakPolarHBondContact O-CB 3.5Å; T72-T225 PolarHBondContact O-OG1 3.32Å; T72-F226 VanDerWaalsContact O-CB 3.31Å; T72-F226 WeakPolarHBondContact O-CB 3.48Å; T72-F226 PolarHBondContact O-N 2.93Å
73	H	97.4	Very high	96.4	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.065	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	5.2	-179.6	67	-59.2	0	0	0	114.8	D71 M107 G145 L146	D71-H73 PolarHBondContact O-N 3.48Å; D71-H73 IonicContact OD2-CE1 2.92Å; D71-H73 PolarHBondContact OD2-CE1 2.99Å; D71-H73 IonicContact OD2-ND1 3.66Å; H73-M107 PolarHBondContact NE2-O 3.44Å; H73-G145 CarbonylContact O-C 3.54Å; H73-G145 WeakPolarHBondContact O-CA 3.49Å; H73-L146 PolarHBondContact CD2-O 2.92Å; H73-L146 VanDerWaalsContact CD2-O 3.28Å; H73-L146 PolarHBondContact O-N 3.42Å
74	I	98.4	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120	-175.6	-55	178.5	0	0	0	111.2	I70 D71 T96 V109 V112 F143	I70-I74 HydrophobicContact CB-CB 4.23Å; I70-I74 HydrophobicContact CB-CG2 3.99Å; I70-I74 WeakPolarHBondContact CB-O 3.33Å; I70-I74 HydrophobicContact CG1-CG2 4.28Å; I70-I74 HydrophobicContact CG2-CG2 4.44Å; I70-I74 PolarHBondContact N-O 3.13Å; D71-I74 HydrophobicContact CB-CB 4.5Å; D71-I74 PolarHBondContact N-O 2.93Å; D71-I74 CarbonylContact O-C 3.57Å; D71-I74 PolarHBondContact O-N 2.94Å; I74-T96 HydrophobicContact CD1-CG2 4.37Å; I74-V109 HydrophobicContact CG1-CG2 4.39Å; I74-V112 HydrophobicContact CD1-CB 4.48Å; I74-V112 HydrophobicContact CD1-CG1 3.8Å; I74-V112 HydrophobicContact CG2-CG1 4.32Å; I74-F143 HydrophobicContact CG2-CD1 4.45Å
75	G	98.5	Very high	96.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	156.1	168	0	0	0	0	0	112.4	V68 G144	V68-G75 WeakPolarHBondContact O-CA 3.45Å; G75-G144 PolarHBondContact N-O 3.37Å; G75-G144 PolarHBondContact O-N 2.76Å; G75-G144 VanDerWaalsContact O-O 3.1Å
76	C	98.6	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.7	175.7	-175.1	0	0	0	0	111.1	I67 V68 I70 L142 F143	I67-C76 CarbonylContact C-O 3.57Å; I67-C76 WeakPolarHBondContact CA-O 3.33Å; V68-C76 HydrophobicContact CG2-CB 4.08Å; V68-C76 PolarHBondContact N-O 2.96Å; V68-C76 PolarHBondContact O-N 2.82Å; I70-C76 HydrophobicContact CD1-CB 3.85Å; I70-C76 HydrophobicContact CG1-CB 3.71Å; C76-L142 CarbonylContact C-O 3.49Å; C76-L142 VanDerWaalsContact CA-O 3.31Å; C76-L142 WeakPolarHBondContact CA-O 3.5Å; C76-F143 HydrophobicContact CB-CD1 4.15Å; C76-F143 HydrophobicContact CB-CE1 4.19Å
77	A	98.6	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	145.9	167.1	0	0	0	0	0	110.3	A37 L48 V50 K66 I67 L141 L142	A37-A77 HydrophobicContact CB-CB 4.45Å; L48-A77 HydrophobicContact CB-CB 4.36Å; L48-A77 HydrophobicContact CD1-CB 4.28Å; L48-A77 HydrophobicContact CD2-CB 4.3Å; V50-A77 HydrophobicContact CG2-CB 3.69Å; K66-A77 WeakPolarHBondContact O-CA 3.41Å; I67-A77 HydrophobicContact CG1-CB 4.18Å; A77-L141 WeakPolarHBondContact O-CA 3.49Å; A77-L142 HydrophobicContact CB-CB 4.26Å; A77-L142 PolarHBondContact N-O 2.87Å; A77-L142 PolarHBondContact O-N 3.49Å
78	M	97.8	Very high	97	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.02	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.9	-174.2	69	-168.6	91.2	0	0	112.9	K66 V68 I82 A85 I89 V139 L141	K66-M78 HydrophobicContact CD-CG 4.41Å; K66-M78 WeakPolarHBondContact O-CG 3.24Å; K66-M78 PolarHBondContact O-N 2.87Å; V68-M78 HydrophobicContact CB-CE 4.43Å; V68-M78 HydrophobicContact CG1-CE 3.64Å; V68-M78 HydrophobicContact CG2-CE 3.98Å; M78-I82 HydrophobicContact CG-CD1 3.59Å; M78-I82 HydrophobicContact SD-CD1 3.8Å; M78-I82 HydrophobicContact SD-CG2 4.05Å; M78-A85 HydrophobicContact CB-CB 4.14Å; M78-A85 HydrophobicContact CG-CB 4.25Å; M78-A85 HydrophobicContact SD-CB 3.4Å; M78-A85 WeakPolarHBondContact SD-CB 3.27Å; M78-I89 HydrophobicContact CE-CD1 3.34Å; M78-I89 HydrophobicContact SD-CD1 3.87Å; M78-V139 HydrophobicContact CB-CG2 4.26Å; M78-L141 HydrophobicContact CB-CD2 3.68Å
79	S	97.7	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	140.9	172.4	-166.9	0	0	0	0	112.2	G34 S35 V139 A140 G171	G34-S79 WeakPolarHBondContact CA-OG 3.26Å; S35-S79 WeakPolarHBondContact O-CB 3.45Å; S35-S79 PolarHBondContact O-OG 2.86Å; S79-V139 WeakPolarHBondContact O-CA 3.36Å; S79-V139 VanDerWaalsContact O-CG2 3.27Å; S79-V139 WeakPolarHBondContact O-CG2 3.07Å; S79-A140 PolarHBondContact N-O 3.49Å; S79-A140 PolarHBondContact O-N 3.34Å; S79-G171 WeakPolarHBondContact OG-CA 3.47Å
80	G	96.9	Very high	97	Very high	12 Å²	12	31.2 Å²	31.2	12%	0.124	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.3	-140.6	-170.7	0	0	0	0	0	111.5	I82	G80-I82 PolarHBondContact O-N 3.36Å
81	L	95.8	Very high	96.9	Very high	84 Å²	84	34 Å²	34	44%	0.44	19%	0.189	S	C	.	.			trans	-77.1	104.1	-179.2	-61.6	-178	0	0	0	111.5	A83 D84 A85 G138	L81-A83 PolarHBondContact O-N 3.35Å; L81-D84 HydrophobicContact CB-CB 4.23Å; L81-D84 WeakPolarHBondContact O-CB 3.36Å; L81-D84 PolarHBondContact O-N 3.48Å; L81-D84 VanDerWaalsContact O-N 3.09Å; L81-A85 PolarHBondContact O-N 2.76Å; L81-G138 PolarHBondContact N-O 2.86Å
82	I	93.3	Very high	97	Very high	47 Å²	47	33 Å²	33	24%	0.241	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-27.4	-176.8	-54.6	-56.7	0	0	0	113.1	K66 M78 G80 D84 A85 K86	K66-I82 HydrophobicContact CD-CD1 3.65Å; K66-I82 HydrophobicContact CD-CG1 4.31Å; M78-I82 HydrophobicContact CG-CD1 3.59Å; M78-I82 HydrophobicContact SD-CD1 3.8Å; M78-I82 HydrophobicContact SD-CG2 4.05Å; G80-I82 PolarHBondContact O-N 3.36Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.43Å; I82-A85 WeakPolarHBondContact O-CB 3.42Å; I82-A85 PolarHBondContact O-N 3.39Å; I82-K86 PolarHBondContact O-N 2.9Å
83	A	93.7	Very high	97.1	Very high	76 Å²	76	34.1 Å²	34.1	63%	0.628	18%	0.18	S	C	*	.	H	α-helix	trans	-62.2	-41	174.4	0	0	0	0	0	111.9	L81	L81-A83 PolarHBondContact O-N 3.35Å
84	D	95.7	Very high	97.2	Very high	14 Å²	14	37.1 Å²	37.1	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-69.3	-37.2	178	-73.8	4.9	0	0	0	111.1	L81 I82 K86 T87 R135 F137 G138 V139	L81-D84 HydrophobicContact CB-CB 4.23Å; L81-D84 WeakPolarHBondContact O-CB 3.36Å; L81-D84 PolarHBondContact O-N 3.48Å; L81-D84 VanDerWaalsContact O-N 3.09Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.43Å; D84-K86 VanDerWaalsContact C-N 3.26Å; D84-K86 PolarHBondContact O-N 3.36Å; D84-T87 PolarHBondContact O-N 3.48Å; D84-R135 IonicContact OD1-CZ 2.73Å; D84-R135 IonicContact OD1-NH1 2.61Å; D84-R135 IonicContact OD1-NH2 2.72Å; D84-R135 PolarHBondContact OD1-NH2 2.89Å; D84-R135 IonicContact OD2-CZ 2.82Å; D84-R135 IonicContact OD2-NH1 3.27Å; D84-R135 PolarHBondContact OD2-NH1 3.29Å; D84-R135 IonicContact OD2-NH2 2.95Å; D84-R135 PolarHBondContact OD2-NH2 3.14Å; D84-F137 HydrophobicContact CB-CB 4.22Å; D84-F137 HydrophobicContact CB-CD1 3.74Å; D84-F137 HydrophobicContact CB-CG 4.46Å; D84-F137 WeakPolarHBondContact OD2-CA 3.49Å; D84-G138 PolarHBondContact OD2-N 2.56Å; D84-V139 HydrophobicContact CB-CG1 4.27Å
85	A	96.3	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.7	-39	178.4	0	0	0	0	0	112.7	M78 L81 I82 T87 L88 I89 V139	M78-A85 HydrophobicContact CB-CB 4.14Å; M78-A85 HydrophobicContact CG-CB 4.25Å; M78-A85 HydrophobicContact SD-CB 3.4Å; M78-A85 WeakPolarHBondContact SD-CB 3.27Å; L81-A85 PolarHBondContact O-N 2.76Å; I82-A85 WeakPolarHBondContact O-CB 3.42Å; I82-A85 PolarHBondContact O-N 3.39Å; A85-T87 VanDerWaalsContact C-N 3.33Å; A85-T87 PolarHBondContact O-N 3.2Å; A85-L88 PolarHBondContact O-N 2.96Å; A85-L88 VanDerWaalsContact O-N 3.11Å; A85-I89 HydrophobicContact CB-CD1 4.05Å; A85-I89 WeakPolarHBondContact O-CB 3.46Å; A85-I89 VanDerWaalsContact O-CD1 3.31Å; A85-I89 WeakPolarHBondContact O-CD1 3.41Å; A85-I89 VanDerWaalsContact O-CG1 3.24Å; A85-I89 WeakPolarHBondContact O-CG1 3.21Å; A85-I89 PolarHBondContact O-N 3Å; A85-V139 HydrophobicContact CB-CG2 3.89Å
86	K	95.7	Very high	97.2	Very high	133 Å²	133	39.3 Å²	39.3	58%	0.578	21%	0.21	S	C	*	.	H	α-helix	trans	-57.6	-44.5	-177.2	-70.6	-176.4	176.9	-171.6	0	112.3	I82 D84 L88 I89 D90	I82-K86 PolarHBondContact O-N 2.9Å; D84-K86 VanDerWaalsContact C-N 3.26Å; D84-K86 PolarHBondContact O-N 3.36Å; K86-L88 VanDerWaalsContact C-N 3.33Å; K86-L88 PolarHBondContact O-N 2.88Å; K86-I89 PolarHBondContact O-N 3.25Å; K86-D90 WeakPolarHBondContact O-CB 3.49Å; K86-D90 VanDerWaalsContact O-CG 3.3Å; K86-D90 PolarHBondContact O-N 3.2Å
87	T	96.2	Very high	97.2	Very high	73 Å²	73	43.6 Å²	43.6	45%	0.448	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-41.8	177.3	-55	0	0	0	0	111.8	D84 A85 K91 L119 F137	D84-T87 PolarHBondContact O-N 3.48Å; A85-T87 VanDerWaalsContact C-N 3.33Å; A85-T87 PolarHBondContact O-N 3.2Å; T87-K91 WeakPolarHBondContact O-CB 3.32Å; T87-K91 PolarHBondContact O-N 2.89Å; T87-L119 HydrophobicContact CG2-CD2 4.43Å; T87-F137 HydrophobicContact CG2-CE1 4.17Å; T87-F137 HydrophobicContact CG2-CZ 4.06Å
88	L	97.6	Very high	97.2	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-38.7	178.3	-64.9	-178.3	0	0	0	112.2	A85 K86 K91 A92 V116 L119 F137 V139 L141	A85-L88 PolarHBondContact O-N 2.96Å; A85-L88 VanDerWaalsContact O-N 3.11Å; K86-L88 VanDerWaalsContact C-N 3.33Å; K86-L88 PolarHBondContact O-N 2.88Å; L88-K91 WeakPolarHBondContact O-CB 3.33Å; L88-K91 PolarHBondContact O-N 2.9Å; L88-A92 WeakPolarHBondContact O-CB 3.33Å; L88-A92 PolarHBondContact O-N 3.46Å; L88-V116 HydrophobicContact CB-CG1 3.77Å; L88-V116 HydrophobicContact CD1-CG1 4.36Å; L88-V116 HydrophobicContact CD2-CG1 3.8Å; L88-V116 HydrophobicContact CG-CG1 4.19Å; L88-L119 HydrophobicContact CD2-CD2 4.07Å; L88-L119 HydrophobicContact CD2-CG 4.28Å; L88-F137 HydrophobicContact CD1-CB 4.31Å; L88-F137 HydrophobicContact CD1-CD2 4.2Å; L88-F137 HydrophobicContact CD1-CG 4.17Å; L88-F137 HydrophobicContact CD2-CD2 3.7Å; L88-F137 HydrophobicContact CD2-CE1 4.36Å; L88-F137 HydrophobicContact CD2-CE2 3.37Å; L88-F137 HydrophobicContact CD2-CG 4.29Å; L88-F137 HydrophobicContact CD2-CZ 3.72Å; L88-F137 HydrophobicContact CG-CD1 4.43Å; L88-F137 HydrophobicContact CG-CD2 4.19Å; L88-F137 HydrophobicContact CG-CE1 4.39Å; L88-F137 HydrophobicContact CG-CE2 4.16Å; L88-F137 HydrophobicContact CG-CG 4.3Å; L88-F137 HydrophobicContact CG-CZ 4.24Å; L88-V139 HydrophobicContact CD1-CG1 3.56Å; L88-L141 HydrophobicContact CB-CD1 3.98Å; L88-L141 HydrophobicContact CD1-CD1 3.84Å
89	I	98.2	Very high	97.2	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.046	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-44.2	176.9	-71	157.1	0	0	0	110.9	V68 I70 M78 A85 K86 K91 A92 R93	V68-I89 HydrophobicContact CG1-CD1 4.49Å; V68-I89 HydrophobicContact CG2-CD1 3.69Å; V68-I89 HydrophobicContact CG2-CG1 3.85Å; V68-I89 HydrophobicContact CG2-CG2 3.88Å; I70-I89 HydrophobicContact CD1-CB 4.35Å; I70-I89 HydrophobicContact CD1-CG1 4.34Å; I70-I89 HydrophobicContact CD1-CG2 3.81Å; M78-I89 HydrophobicContact CE-CD1 3.34Å; M78-I89 HydrophobicContact SD-CD1 3.87Å; A85-I89 HydrophobicContact CB-CD1 4.05Å; A85-I89 WeakPolarHBondContact O-CB 3.46Å; A85-I89 VanDerWaalsContact O-CD1 3.31Å; A85-I89 WeakPolarHBondContact O-CD1 3.41Å; A85-I89 VanDerWaalsContact O-CG1 3.24Å; A85-I89 WeakPolarHBondContact O-CG1 3.21Å; A85-I89 PolarHBondContact O-N 3Å; K86-I89 PolarHBondContact O-N 3.25Å; I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 3.4Å; I89-A92 WeakPolarHBondContact O-CB 3.48Å; I89-A92 PolarHBondContact O-N 3.06Å; I89-R93 WeakPolarHBondContact O-CG 3.5Å; I89-R93 PolarHBondContact O-N 3.26Å
90	D	98	Very high	97.2	Very high	88 Å²	88	54.5 Å²	54.5	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-64.6	-40.5	177.7	-71.6	-18.7	0	0	0	110.8	K86 A92 R93 V94	K86-D90 WeakPolarHBondContact O-CB 3.49Å; K86-D90 VanDerWaalsContact O-CG 3.3Å; K86-D90 PolarHBondContact O-N 3.2Å; D90-A92 PolarHBondContact O-N 3.34Å; D90-R93 PolarHBondContact O-N 3.33Å; D90-R93 IonicContact OD1-NH1 3.85Å; D90-V94 WeakPolarHBondContact O-CB 3.3Å; D90-V94 VanDerWaalsContact O-CG2 3.31Å; D90-V94 WeakPolarHBondContact O-CG2 3.49Å; D90-V94 PolarHBondContact O-N 3.03Å
91	K	97.9	Very high	97.3	Very high	67 Å²	67	61.8 Å²	61.8	29%	0.291	31%	0.307	S	S	.	.	H	α-helix	trans	-57.2	-49.4	170.3	178.6	63.3	169.9	176.9	0	111	T87 L88 I89 R93 V94 E95 L119	T87-K91 WeakPolarHBondContact O-CB 3.32Å; T87-K91 PolarHBondContact O-N 2.89Å; L88-K91 WeakPolarHBondContact O-CB 3.33Å; L88-K91 PolarHBondContact O-N 2.9Å; I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 3.4Å; K91-R93 VanDerWaalsContact C-N 3.35Å; K91-R93 PolarHBondContact O-N 2.94Å; K91-V94 PolarHBondContact O-N 3.25Å; K91-E95 HydrophobicContact CD-CG 3.89Å; K91-E95 VanDerWaalsContact CE-OE1 3.25Å; K91-E95 WeakPolarHBondContact CE-OE1 3.36Å; K91-E95 HydrophobicContact CG-CG 4.27Å; K91-E95 IonicContact NZ-OE1 3.53Å; K91-E95 PolarHBondContact NZ-OE1 3.32Å; K91-E95 WeakPolarHBondContact O-CB 3.43Å; K91-E95 VanDerWaalsContact O-CG 3.25Å; K91-E95 WeakPolarHBondContact O-CG 3.46Å; K91-E95 PolarHBondContact O-N 3.49Å; K91-L119 HydrophobicContact CB-CD2 3.59Å; K91-L119 HydrophobicContact CD-CD2 4.17Å; K91-L119 HydrophobicContact CG-CB 4.32Å; K91-L119 HydrophobicContact CG-CD2 3.62Å
92	A	98.6	Very high	97.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-47.7	179.8	0	0	0	0	0	111.7	I70 L88 I89 D90 V94 E95 T96 V112 V116 F143	I70-A92 HydrophobicContact CD1-CB 4.09Å; I70-A92 HydrophobicContact CG1-CB 4.47Å; I70-A92 HydrophobicContact CG2-CB 3.61Å; L88-A92 WeakPolarHBondContact O-CB 3.33Å; L88-A92 PolarHBondContact O-N 3.46Å; I89-A92 WeakPolarHBondContact O-CB 3.48Å; I89-A92 PolarHBondContact O-N 3.06Å; D90-A92 PolarHBondContact O-N 3.34Å; A92-V94 PolarHBondContact O-N 2.89Å; A92-E95 PolarHBondContact O-N 3.24Å; A92-T96 WeakPolarHBondContact O-CG2 3.48Å; A92-T96 PolarHBondContact O-N 3.23Å; A92-T96 PolarHBondContact O-OG1 3.36Å; A92-V112 HydrophobicContact CB-CG2 3.78Å; A92-V116 HydrophobicContact CB-CG2 3.61Å; A92-F143 HydrophobicContact CB-CE1 4.36Å
93	R	98.7	Very high	97.6	Very high	93 Å²	93	66.9 Å²	66.9	35%	0.351	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-42.1	177.9	-73.1	169.1	172	169.4	-4.8	112.7	E69 I70 I89 D90 K91 T96 Q97	E69-R93 PolarHBondContact O-NE 3.41Å; E69-R93 PolarHBondContact O-NH2 3.14Å; I70-R93 HydrophobicContact CG2-CG 4.39Å; I70-R93 WeakPolarHBondContact O-CG 3.32Å; I89-R93 WeakPolarHBondContact O-CG 3.5Å; I89-R93 PolarHBondContact O-N 3.26Å; D90-R93 PolarHBondContact O-N 3.33Å; D90-R93 IonicContact OD1-NH1 3.85Å; K91-R93 VanDerWaalsContact C-N 3.35Å; K91-R93 PolarHBondContact O-N 2.94Å; R93-T96 PolarHBondContact O-OG1 2.68Å; R93-Q97 VanDerWaalsContact O-CG 3.27Å; R93-Q97 WeakPolarHBondContact O-CG 3.46Å; R93-Q97 PolarHBondContact O-N 3.37Å
94	V	98.6	Very high	97.8	Very high	77 Å²	77	69.5 Å²	69.5	47%	0.467	33%	0.331	S	S	.	.	H	α-helix	trans	-65.6	-43.3	177.5	168.4	0	0	0	0	110.6	D90 K91 A92 Q97 N98	D90-V94 WeakPolarHBondContact O-CB 3.3Å; D90-V94 VanDerWaalsContact O-CG2 3.31Å; D90-V94 WeakPolarHBondContact O-CG2 3.49Å; D90-V94 PolarHBondContact O-N 3.03Å; K91-V94 PolarHBondContact O-N 3.25Å; A92-V94 PolarHBondContact O-N 2.89Å; V94-Q97 PolarHBondContact O-N 3.35Å; V94-N98 WeakPolarHBondContact CG1-ND2 3.23Å; V94-N98 VanDerWaalsContact O-CB 3.27Å; V94-N98 WeakPolarHBondContact O-CB 3.39Å; V94-N98 PolarHBondContact O-N 3.23Å; V94-N98 PolarHBondContact O-ND2 3.06Å
95	E	98.4	Very high	97.8	Very high	46 Å²	46	73.8 Å²	73.8	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-66.5	-41.6	-179.7	-67.6	-60.5	144.8	0	0	112.5	K91 A92 N98 H99 M107 A115	K91-E95 HydrophobicContact CD-CG 3.89Å; K91-E95 VanDerWaalsContact CE-OE1 3.25Å; K91-E95 WeakPolarHBondContact CE-OE1 3.36Å; K91-E95 HydrophobicContact CG-CG 4.27Å; K91-E95 IonicContact NZ-OE1 3.53Å; K91-E95 PolarHBondContact NZ-OE1 3.32Å; K91-E95 WeakPolarHBondContact O-CB 3.43Å; K91-E95 VanDerWaalsContact O-CG 3.25Å; K91-E95 WeakPolarHBondContact O-CG 3.46Å; K91-E95 PolarHBondContact O-N 3.49Å; A92-E95 PolarHBondContact O-N 3.24Å; E95-N98 PolarHBondContact O-N 3.17Å; E95-H99 WeakPolarHBondContact O-CB 3.31Å; E95-H99 PolarHBondContact O-N 3.44Å; E95-M107 HydrophobicContact CB-CE 4.29Å; E95-M107 HydrophobicContact CB-SD 4.28Å; E95-A115 HydrophobicContact CB-CB 4.23Å; E95-A115 HydrophobicContact CG-CB 3.94Å
96	T	98.3	Very high	97.8	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.3	-45.3	176.4	53	0	0	0	0	111.6	I70 D71 I74 A92 R93 H99 W100 M107 V112	I70-T96 HydrophobicContact CG2-CG2 3.97Å; D71-T96 HydrophobicContact CB-CG2 4.34Å; I74-T96 HydrophobicContact CD1-CG2 4.37Å; A92-T96 WeakPolarHBondContact O-CG2 3.48Å; A92-T96 PolarHBondContact O-N 3.23Å; A92-T96 PolarHBondContact O-OG1 3.36Å; R93-T96 PolarHBondContact O-OG1 2.68Å; T96-H99 PolarHBondContact O-N 3.44Å; T96-W100 PolarHBondContact O-N 2.92Å; T96-M107 HydrophobicContact CG2-CB 4.19Å; T96-M107 HydrophobicContact CG2-SD 3.98Å; T96-V112 HydrophobicContact CG2-CB 4.1Å; T96-V112 HydrophobicContact CG2-CG2 3.7Å
97	Q	98.4	Very high	97.9	Very high	90 Å²	90	71.5 Å²	71.5	42%	0.421	35%	0.348	S	S	.	.	H	α-helix	trans	-68.3	-36.5	178	-64.6	-55.8	-58.5	0	0	112.6	R93 V94 W100 F101	R93-Q97 VanDerWaalsContact O-CG 3.27Å; R93-Q97 WeakPolarHBondContact O-CG 3.46Å; R93-Q97 PolarHBondContact O-N 3.37Å; V94-Q97 PolarHBondContact O-N 3.35Å; Q97-W100 PolarHBondContact O-N 3.37Å; Q97-F101 VanDerWaalsContact O-CB 3.29Å; Q97-F101 WeakPolarHBondContact O-CB 3.21Å; Q97-F101 PolarHBondContact O-N 3.47Å
98	N	98.6	Very high	98	Very high	77 Å²	77	70 Å²	70	41%	0.412	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-41.3	174.9	-75.7	-19.3	0	0	0	112	V94 E95 F101 T102	V94-N98 WeakPolarHBondContact CG1-ND2 3.23Å; V94-N98 VanDerWaalsContact O-CB 3.27Å; V94-N98 WeakPolarHBondContact O-CB 3.39Å; V94-N98 PolarHBondContact O-N 3.23Å; V94-N98 PolarHBondContact O-ND2 3.06Å; E95-N98 PolarHBondContact O-N 3.17Å; N98-F101 PolarHBondContact O-N 2.83Å; N98-T102 VanDerWaalsContact O-CB 3.29Å; N98-T102 WeakPolarHBondContact O-CB 3.5Å; N98-T102 PolarHBondContact O-N 2.92Å; N98-T102 PolarHBondContact O-OG1 2.98Å
99	H	98.6	Very high	98	Very high	30 Å²	30	69.9 Å²	69.9	14%	0.139	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-49.1	175.4	-171.4	95	0	0	0	110.3	E95 T96 F101 T102 Y103 E105 M107	E95-H99 WeakPolarHBondContact O-CB 3.31Å; E95-H99 PolarHBondContact O-N 3.44Å; T96-H99 PolarHBondContact O-N 3.44Å; H99-F101 PolarHBondContact O-N 2.9Å; H99-T102 PolarHBondContact O-N 3.29Å; H99-Y103 AromaticContact CD2-CD2 3.97Å; H99-Y103 AromaticContact CE1-CD2 3.49Å; H99-Y103 VanDerWaalsContact CE1-CD2 3.49Å; H99-Y103 WeakPolarHBondContact CE1-CD2 3.48Å; H99-Y103 AromaticContact CE1-CE2 3.94Å; H99-Y103 AromaticContact CG-CD2 3.8Å; H99-Y103 AromaticContact ND1-CD2 3.5Å; H99-Y103 AromaticContact ND1-CE2 3.76Å; H99-Y103 AromaticContact NE2-CD2 3.78Å; H99-Y103 WeakPolarHBondContact O-CB 3.33Å; H99-Y103 WeakPolarHBondContact O-CD2 3.46Å; H99-Y103 PolarHBondContact O-N 3.47Å; H99-E105 PolarHBondContact CD2-O 3.2Å; H99-E105 IonicContact CE1-OE1 3.02Å; H99-E105 WeakPolarHBondContact NE2-CG 3.46Å; H99-E105 IonicContact NE2-OE1 3.97Å; H99-E105 PolarHBondContact NE2-OE1 2.89Å; H99-M107 HydrophobicContact CB-CB 3.89Å; H99-M107 HydrophobicContact CB-CG 3.96Å; H99-M107 HydrophobicContact CB-SD 4.09Å
100	W	97.9	Very high	98.1	Very high	127 Å²	127	72.8 Å²	72.8	48%	0.481	35%	0.351	S	S	.	.	H	α-helix	trans	-58.8	-46.1	175.6	175.9	75	0	0	0	112.2	T96 Q97 T102 N104 E105	T96-W100 PolarHBondContact O-N 2.92Å; Q97-W100 PolarHBondContact O-N 3.37Å; W100-T102 VanDerWaalsContact C-N 3.32Å; W100-T102 PolarHBondContact O-N 3.42Å; W100-N104 WeakPolarHBondContact O-CA 3.33Å; W100-N104 PolarHBondContact O-N 3.41Å; W100-E105 VanDerWaalsContact CA-O 3.32Å; W100-E105 WeakPolarHBondContact CA-O 3.49Å
101	F	98.3	Very high	98.1	Very high	165 Å²	165	70.9 Å²	70.9	72%	0.724	35%	0.345	S	S	*	.	H	α-helix	trans	-61.5	-39.3	178.2	174.3	-102.4	0	0	0	112.9	Q97 N98 H99	Q97-F101 VanDerWaalsContact O-CB 3.29Å; Q97-F101 WeakPolarHBondContact O-CB 3.21Å; Q97-F101 PolarHBondContact O-N 3.47Å; N98-F101 PolarHBondContact O-N 2.83Å; H99-F101 PolarHBondContact O-N 2.9Å
102	T	98.4	Very high	98.1	Very high	90 Å²	90	67.7 Å²	67.7	55%	0.552	33%	0.331	S	S	*	.	H	α-helix	trans	-81.6	-42.9	-173.5	-55.6	0	0	0	0	112.4	N98 H99 W100	N98-T102 VanDerWaalsContact O-CB 3.29Å; N98-T102 WeakPolarHBondContact O-CB 3.5Å; N98-T102 PolarHBondContact O-N 2.92Å; N98-T102 PolarHBondContact O-OG1 2.98Å; H99-T102 PolarHBondContact O-N 3.29Å; W100-T102 VanDerWaalsContact C-N 3.32Å; W100-T102 PolarHBondContact O-N 3.42Å
103	Y	98	Very high	98.1	Very high	148 Å²	148	67.7 Å²	67.7	58%	0.58	33%	0.331	S	S	*	.	H	α-helix	trans	-109.2	-10.3	-171	-57.1	-67.4	0	0	0	113.3	H99 E105	H99-Y103 AromaticContact CD2-CD2 3.97Å; H99-Y103 AromaticContact CE1-CD2 3.49Å; H99-Y103 VanDerWaalsContact CE1-CD2 3.49Å; H99-Y103 WeakPolarHBondContact CE1-CD2 3.48Å; H99-Y103 AromaticContact CE1-CE2 3.94Å; H99-Y103 AromaticContact CG-CD2 3.8Å; H99-Y103 AromaticContact ND1-CD2 3.5Å; H99-Y103 AromaticContact ND1-CE2 3.76Å; H99-Y103 AromaticContact NE2-CD2 3.78Å; H99-Y103 WeakPolarHBondContact O-CB 3.33Å; H99-Y103 WeakPolarHBondContact O-CD2 3.46Å; H99-Y103 PolarHBondContact O-N 3.47Å; Y103-E105 PolarHBondContact O-N 3.21Å
104	N	97.4	Very high	98.1	Very high	131 Å²	131	66.9 Å²	66.9	70%	0.701	33%	0.331	S	S	*	.	S	Bend	trans	55.8	38.4	-177.5	-167.5	56.2	0	0	0	112.9	W100	W100-N104 WeakPolarHBondContact O-CA 3.33Å; W100-N104 PolarHBondContact O-N 3.41Å
105	E	96.1	Very high	98.1	Very high	103 Å²	103	63.8 Å²	63.8	48%	0.481	31%	0.314	S	S	.	.	S	Bend	trans	-140.9	160.1	175.1	67.2	-179.3	-160.4	0	0	110.1	H99 W100 Y103	H99-E105 PolarHBondContact CD2-O 3.2Å; H99-E105 IonicContact CE1-OE1 3.02Å; H99-E105 WeakPolarHBondContact NE2-CG 3.46Å; H99-E105 IonicContact NE2-OE1 3.97Å; H99-E105 PolarHBondContact NE2-OE1 2.89Å; W100-E105 VanDerWaalsContact CA-O 3.32Å; W100-E105 WeakPolarHBondContact CA-O 3.49Å; Y103-E105 PolarHBondContact O-N 3.21Å
106	T	95.6	Very high	98	Very high	73 Å²	73	61.6 Å²	61.6	45%	0.448	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-73.2	132.9	175.6	49.3	0	0	0	0	110.8
107	M	98.1	Very high	98	Very high	13 Å²	13	61.8 Å²	61.8	6%	0.064	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64.8	138.6	175.7	-163.3	177.5	-161	0	0	111	H73 E95 T96 H99 V112 A115	H73-M107 PolarHBondContact NE2-O 3.44Å; E95-M107 HydrophobicContact CB-CE 4.29Å; E95-M107 HydrophobicContact CB-SD 4.28Å; T96-M107 HydrophobicContact CG2-CB 4.19Å; T96-M107 HydrophobicContact CG2-SD 3.98Å; H99-M107 HydrophobicContact CB-CB 3.89Å; H99-M107 HydrophobicContact CB-CG 3.96Å; H99-M107 HydrophobicContact CB-SD 4.09Å; M107-V112 HydrophobicContact SD-CB 3.92Å; M107-V112 HydrophobicContact SD-CG2 4.38Å; M107-A115 HydrophobicContact CE-CB 4.3Å
108	T	98.3	Very high	97.9	Very high	40 Å²	40	61.2 Å²	61.2	25%	0.245	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-69	154.9	176.6	74.5	0	0	0	0	111.8	E110 S111 V112 D147	T108-E110 PolarHBondContact O-N 2.84Å; T108-S111 PolarHBondContact O-N 2.9Å; T108-S111 VanDerWaalsContact OG1-CB 3.25Å; T108-S111 WeakPolarHBondContact OG1-CB 3.48Å; T108-S111 PolarHBondContact OG1-N 2.85Å; T108-S111 PolarHBondContact OG1-OG 2.94Å; T108-V112 PolarHBondContact O-N 2.9Å; T108-V112 VanDerWaalsContact O-N 3.08Å; T108-D147 WeakPolarHBondContact CA-OD2 3.13Å; T108-D147 VanDerWaalsContact CB-OD2 3.3Å; T108-D147 WeakPolarHBondContact CB-OD2 3.46Å
109	V	98.4	Very high	97.7	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-37.7	179	-169.1	0	0	0	0	110.7	I74 V112 T113 F143 D147 Q152 Y154	I74-V109 HydrophobicContact CG1-CG2 4.39Å; V109-V112 VanDerWaalsContact O-CG1 3.24Å; V109-V112 WeakPolarHBondContact O-CG1 3.32Å; V109-T113 WeakPolarHBondContact O-CB 3.44Å; V109-T113 PolarHBondContact O-N 3.27Å; V109-T113 VanDerWaalsContact O-N 3.13Å; V109-T113 PolarHBondContact O-OG1 2.85Å; V109-F143 HydrophobicContact CG1-CB 4.13Å; V109-D147 PolarHBondContact N-OD2 3.4Å; V109-Q152 HydrophobicContact CB-CB 4.28Å; V109-Q152 HydrophobicContact CG2-CB 4.3Å; V109-Y154 HydrophobicContact CB-CD2 4.28Å; V109-Y154 HydrophobicContact CB-CE2 4.33Å; V109-Y154 HydrophobicContact CG1-CD2 3.81Å; V109-Y154 HydrophobicContact CG1-CE2 4.35Å
110	E	98.6	Very high	97.5	Very high	71 Å²	71	57.6 Å²	57.6	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-47.5	174.3	-173	172.2	-157.1	0	0	111.8	T108 T113 Q114 K149 Y154 F162	T108-E110 PolarHBondContact O-N 2.84Å; E110-T113 PolarHBondContact O-N 2.89Å; E110-Q114 WeakPolarHBondContact O-CB 3.34Å; E110-Q114 PolarHBondContact O-N 2.7Å; E110-K149 IonicContact OE2-NZ 2.77Å; E110-K149 PolarHBondContact OE2-NZ 2.87Å; E110-Y154 HydrophobicContact CB-CE1 4.43Å; E110-Y154 HydrophobicContact CB-CE2 4.06Å; E110-Y154 WeakPolarHBondContact CB-OH 3.3Å; E110-Y154 HydrophobicContact CG-CE1 4.23Å; E110-F162 HydrophobicContact CG-CE2 4.33Å
111	S	98.4	Very high	97.2	Very high	48 Å²	48	55.9 Å²	55.9	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-42.6	-178.1	-64.1	0	0	0	0	112.3	T108 T113 Q114 A115	T108-S111 PolarHBondContact O-N 2.9Å; T108-S111 VanDerWaalsContact OG1-CB 3.25Å; T108-S111 WeakPolarHBondContact OG1-CB 3.48Å; T108-S111 PolarHBondContact OG1-N 2.85Å; T108-S111 PolarHBondContact OG1-OG 2.94Å; S111-T113 VanDerWaalsContact C-N 3.33Å; S111-Q114 PolarHBondContact O-N 3.39Å; S111-A115 WeakPolarHBondContact O-CB 3.33Å; S111-A115 PolarHBondContact O-N 2.85Å
112	V	98.4	Very high	96.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-40.5	176.3	70.6	0	0	0	0	110.9	I70 I74 A92 T96 M107 T108 V109 Q114 A115 V116 F143	I70-V112 HydrophobicContact CG2-CG2 4.25Å; I74-V112 HydrophobicContact CD1-CB 4.48Å; I74-V112 HydrophobicContact CD1-CG1 3.8Å; I74-V112 HydrophobicContact CG2-CG1 4.32Å; A92-V112 HydrophobicContact CB-CG2 3.78Å; T96-V112 HydrophobicContact CG2-CB 4.1Å; T96-V112 HydrophobicContact CG2-CG2 3.7Å; M107-V112 HydrophobicContact SD-CB 3.92Å; M107-V112 HydrophobicContact SD-CG2 4.38Å; T108-V112 PolarHBondContact O-N 2.9Å; T108-V112 VanDerWaalsContact O-N 3.08Å; V109-V112 VanDerWaalsContact O-CG1 3.24Å; V109-V112 WeakPolarHBondContact O-CG1 3.32Å; V112-Q114 VanDerWaalsContact C-N 3.35Å; V112-Q114 PolarHBondContact O-N 2.77Å; V112-A115 PolarHBondContact O-N 2.87Å; V112-V116 WeakPolarHBondContact O-CG2 3.31Å; V112-V116 PolarHBondContact O-N 3.45Å; V112-F143 HydrophobicContact CG1-CD1 4.34Å
113	T	98.5	Very high	96.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-44.8	177.8	-54.6	0	0	0	0	110.7	V109 E110 S111 A115 V116 S117 F143 Y154 M156 F162	V109-T113 WeakPolarHBondContact O-CB 3.44Å; V109-T113 PolarHBondContact O-N 3.27Å; V109-T113 VanDerWaalsContact O-N 3.13Å; V109-T113 PolarHBondContact O-OG1 2.85Å; E110-T113 PolarHBondContact O-N 2.89Å; S111-T113 VanDerWaalsContact C-N 3.33Å; T113-A115 PolarHBondContact O-N 3.27Å; T113-V116 PolarHBondContact O-N 2.68Å; T113-S117 VanDerWaalsContact O-CB 3.29Å; T113-S117 WeakPolarHBondContact O-CB 3.36Å; T113-S117 PolarHBondContact O-N 2.92Å; T113-F143 HydrophobicContact CG2-CD2 3.92Å; T113-F143 HydrophobicContact CG2-CE2 4.22Å; T113-Y154 HydrophobicContact CG2-CG 4.46Å; T113-M156 HydrophobicContact CG2-CB 4.3Å; T113-F162 HydrophobicContact CG2-CB 3.47Å; T113-F162 VanDerWaalsContact CG2-CB 3.47Å; T113-F162 HydrophobicContact CG2-CD1 4.42Å; T113-F162 HydrophobicContact CG2-CD2 3.64Å; T113-F162 HydrophobicContact CG2-CG 3.58Å
114	Q	98.4	Very high	95.9	Very high	75 Å²	75	42.8 Å²	42.8	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-61.9	-40.9	176	180	66.7	82.3	0	0	112.2	E110 S111 V112 V116 S117 N118 F162	E110-Q114 WeakPolarHBondContact O-CB 3.34Å; E110-Q114 PolarHBondContact O-N 2.7Å; S111-Q114 PolarHBondContact O-N 3.39Å; V112-Q114 VanDerWaalsContact C-N 3.35Å; V112-Q114 PolarHBondContact O-N 2.77Å; Q114-V116 VanDerWaalsContact C-N 3.33Å; Q114-V116 PolarHBondContact O-N 3.06Å; Q114-S117 WeakPolarHBondContact O-CB 3.25Å; Q114-S117 PolarHBondContact O-N 2.91Å; Q114-N118 PolarHBondContact NE2-OD1 2.88Å; Q114-N118 PolarHBondContact O-N 2.96Å; Q114-N118 PolarHBondContact O-ND2 3.41Å; Q114-N118 PolarHBondContact O-OD1 3.39Å; Q114-F162 HydrophobicContact CB-CE1 4.05Å; Q114-F162 HydrophobicContact CB-CZ 3.88Å; Q114-F162 VanDerWaalsContact CD-CE1 3.41Å; Q114-F162 HydrophobicContact CG-CE1 4.33Å; Q114-F162 HydrophobicContact CG-CZ 4.35Å
115	A	98.1	Very high	94.9	Very high	13 Å²	13	41.5 Å²	41.5	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-38.2	179.6	0	0	0	0	0	112.2	E95 M107 S111 V112 T113 L119	E95-A115 HydrophobicContact CB-CB 4.23Å; E95-A115 HydrophobicContact CG-CB 3.94Å; M107-A115 HydrophobicContact CE-CB 4.3Å; S111-A115 WeakPolarHBondContact O-CB 3.33Å; S111-A115 PolarHBondContact O-N 2.85Å; V112-A115 PolarHBondContact O-N 2.87Å; T113-A115 PolarHBondContact O-N 3.27Å; A115-L119 PolarHBondContact O-N 2.93Å
116	V	98.1	Very high	93.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.6	-41.1	174.7	-179.7	0	0	0	0	111.1	L88 A92 V112 T113 Q114 N118 L119 A120 L141 F143 M156	L88-V116 HydrophobicContact CB-CG1 3.77Å; L88-V116 HydrophobicContact CD1-CG1 4.36Å; L88-V116 HydrophobicContact CD2-CG1 3.8Å; L88-V116 HydrophobicContact CG-CG1 4.19Å; A92-V116 HydrophobicContact CB-CG2 3.61Å; V112-V116 WeakPolarHBondContact O-CG2 3.31Å; V112-V116 PolarHBondContact O-N 3.45Å; T113-V116 PolarHBondContact O-N 2.68Å; Q114-V116 VanDerWaalsContact C-N 3.33Å; Q114-V116 PolarHBondContact O-N 3.06Å; V116-N118 VanDerWaalsContact C-N 3.31Å; V116-N118 PolarHBondContact O-N 3.49Å; V116-L119 WeakPolarHBondContact O-CB 3.34Å; V116-L119 PolarHBondContact O-N 3.49Å; V116-L119 VanDerWaalsContact O-N 3.12Å; V116-A120 PolarHBondContact O-N 2.62Å; V116-L141 HydrophobicContact CG1-CD1 4.02Å; V116-F143 HydrophobicContact CB-CZ 4.2Å; V116-F143 HydrophobicContact CG1-CZ 4.17Å; V116-F143 HydrophobicContact CG2-CE1 4.49Å; V116-F143 HydrophobicContact CG2-CZ 4Å; V116-M156 HydrophobicContact CB-SD 4.14Å; V116-M156 HydrophobicContact CG1-CE 4.02Å; V116-M156 HydrophobicContact CG1-SD 3.77Å
117	S	97.4	Very high	92.3	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-54.5	-45.3	172.6	154.3	0	0	0	0	112.1	T113 Q114 L119 A120 L121 M156 G160	T113-S117 VanDerWaalsContact O-CB 3.29Å; T113-S117 WeakPolarHBondContact O-CB 3.36Å; T113-S117 PolarHBondContact O-N 2.92Å; Q114-S117 WeakPolarHBondContact O-CB 3.25Å; Q114-S117 PolarHBondContact O-N 2.91Å; S117-L119 VanDerWaalsContact C-N 3.28Å; S117-L119 PolarHBondContact O-N 3.31Å; S117-A120 PolarHBondContact O-N 3.25Å; S117-L121 PolarHBondContact O-N 3.17Å; S117-L121 VanDerWaalsContact O-N 3.16Å; S117-M156 VanDerWaalsContact CA-CE 3.48Å; S117-G160 WeakPolarHBondContact CB-O 3.25Å; S117-G160 PolarHBondContact OG-O 3Å
118	N	95.9	Very high	90.7	Very high	79 Å²	79	52.2 Å²	52.2	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-36.9	177.6	-69.6	-17.6	0	0	0	112.4	Q114 V116 Q122	Q114-N118 PolarHBondContact NE2-OD1 2.88Å; Q114-N118 PolarHBondContact O-N 2.96Å; Q114-N118 PolarHBondContact O-ND2 3.41Å; Q114-N118 PolarHBondContact O-OD1 3.39Å; V116-N118 VanDerWaalsContact C-N 3.31Å; V116-N118 PolarHBondContact O-N 3.49Å; N118-Q122 WeakPolarHBondContact O-CG 3.1Å
119	L	94.9	Very high	89.4	Confident	30 Å²	30	54.3 Å²	54.3	16%	0.157	29%	0.291	C	S	.	.	H	α-helix	trans	-69.2	-38.6	174	177.7	60.8	0	0	0	111.6	T87 L88 K91 A115 V116 S117 L121 Q122 F137	T87-L119 HydrophobicContact CG2-CD2 4.43Å; L88-L119 HydrophobicContact CD2-CD2 4.07Å; L88-L119 HydrophobicContact CD2-CG 4.28Å; K91-L119 HydrophobicContact CB-CD2 3.59Å; K91-L119 HydrophobicContact CD-CD2 4.17Å; K91-L119 HydrophobicContact CG-CB 4.32Å; K91-L119 HydrophobicContact CG-CD2 3.62Å; A115-L119 PolarHBondContact O-N 2.93Å; V116-L119 WeakPolarHBondContact O-CB 3.34Å; V116-L119 PolarHBondContact O-N 3.49Å; V116-L119 VanDerWaalsContact O-N 3.12Å; S117-L119 VanDerWaalsContact C-N 3.28Å; S117-L119 PolarHBondContact O-N 3.31Å; L119-L121 PolarHBondContact O-N 2.93Å; L119-Q122 WeakPolarHBondContact O-CB 3.37Å; L119-Q122 PolarHBondContact O-N 2.86Å; L119-Q122 VanDerWaalsContact O-N 3.1Å; L119-F137 HydrophobicContact CG-CE2 4.22Å; L119-F137 HydrophobicContact CG-CZ 4.42Å
120	A	94.2	Very high	87.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-26.9	179.7	0	0	0	0	0	113.9	V116 S117 Q122 F137 M156	V116-A120 PolarHBondContact O-N 2.62Å; S117-A120 PolarHBondContact O-N 3.25Å; A120-Q122 VanDerWaalsContact C-N 3.28Å; A120-Q122 PolarHBondContact O-N 2.96Å; A120-F137 HydrophobicContact CB-CD2 4.01Å; A120-F137 HydrophobicContact CB-CE2 4.45Å; A120-M156 HydrophobicContact CB-CE 3.24Å
121	L	92.1	Very high	86.7	Confident	91 Å²	91	60.1 Å²	60.1	48%	0.476	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-14.1	174.5	-70.5	172.7	0	0	0	113.9	S117 L119 F123 S159	S117-L121 PolarHBondContact O-N 3.17Å; S117-L121 VanDerWaalsContact O-N 3.16Å; L119-L121 PolarHBondContact O-N 2.93Å; L121-F123 PolarHBondContact O-N 3.38Å; L121-S159 WeakPolarHBondContact CD2-O 3.36Å
122	Q	91.1	Very high	85.9	Confident	95 Å²	95	58.6 Å²	58.6	44%	0.444	34%	0.339	S	S	.	.			trans	-82	60	-175.8	-67.5	174.4	-0	0	0	111.9	N118 L119 A120 A132 M133	N118-Q122 WeakPolarHBondContact O-CG 3.1Å; L119-Q122 WeakPolarHBondContact O-CB 3.37Å; L119-Q122 PolarHBondContact O-N 2.86Å; L119-Q122 VanDerWaalsContact O-N 3.1Å; A120-Q122 VanDerWaalsContact C-N 3.28Å; A120-Q122 PolarHBondContact O-N 2.96Å; Q122-A132 WeakPolarHBondContact O-CA 3.39Å; Q122-M133 WeakPolarHBondContact O-CE 3.35Å; Q122-M133 PolarHBondContact O-N 3.39Å
123	F	89.9	Confident	85.4	Confident	25 Å²	25	61 Å²	61	11%	0.11	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-126.7	150.5	170.9	77.4	-87.6	0	0	0	111.1	V12 L21 V24 L121 M133 P136	V12-F123 HydrophobicContact CG1-CD2 3.58Å; V12-F123 HydrophobicContact CG1-CE2 3.9Å; L21-F123 HydrophobicContact CD1-CZ 4.28Å; V24-F123 HydrophobicContact CG2-CE1 4.08Å; V24-F123 HydrophobicContact CG2-CZ 3.55Å; L121-F123 PolarHBondContact O-N 3.38Å; F123-M133 CarbonylContact C-O 3.52Å; F123-M133 WeakPolarHBondContact CA-O 3.25Å; F123-M133 HydrophobicContact CB-CB 4.29Å; F123-M133 WeakPolarHBondContact CB-O 3.48Å; F123-P136 HydrophobicContact CD1-CB 4Å; F123-P136 HydrophobicContact CE1-CB 4.09Å; F123-P136 HydrophobicContact CG-CB 4.23Å; F123-P136 HydrophobicContact CZ-CB 4.41Å
124	G	85.4	Confident	85	Confident	7 Å²	7	65.6 Å²	65.6	7%	0.072	38%	0.383	C	S	.	.	S	Bend	trans	170.3	-165.9	-178.4	0	0	0	0	0	113.1	M133	G124-M133 PolarHBondContact N-O 3.4Å
125	E	78.1	Confident	84.7	Confident	104 Å²	104	67.1 Å²	67.1	49%	0.486	39%	0.385	S	S	.	.			trans	-78.5	137.2	171.8	-63.4	-172.5	172.4	0	0	110	D127 A128	E125-D127 PolarHBondContact O-N 2.89Å; E125-D127 VanDerWaalsContact O-N 3.1Å; E125-A128 WeakPolarHBondContact O-CB 3.27Å; E125-A128 PolarHBondContact O-N 3.24Å
126	E	67.6	Low	84.6	Confident	166 Å²	166	66.8 Å²	66.8	78%	0.776	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.7	-172	-149.5	171.8	-161	0	0	112.9	A128	E126-A128 VanDerWaalsContact C-N 3.3Å; E126-A128 PolarHBondContact O-N 3.12Å
127	D	67.6	Low	84.5	Confident	165 Å²	165	67.1 Å²	67.1	88%	0.882	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.5	178.9	-66	-30	0	0	0	113.7	E125	E125-D127 PolarHBondContact O-N 2.89Å; E125-D127 VanDerWaalsContact O-N 3.1Å
128	A	66.4	Low	84.5	Confident	84 Å²	84	67.1 Å²	67.1	69%	0.694	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-34	-174.2	0	0	0	0	0	113.5	E125 E126	E125-A128 WeakPolarHBondContact O-CB 3.27Å; E125-A128 PolarHBondContact O-N 3.24Å; E126-A128 VanDerWaalsContact C-N 3.3Å; E126-A128 PolarHBondContact O-N 3.12Å
129	D	70.5	Confident	84.6	Confident	83 Å²	83	63.5 Å²	63.5	44%	0.444	37%	0.365	S	S	.	.	S	Bend	trans	-148.1	104.9	-179	-173.2	9.4	0	0	0	110.9	G131 A132	D129-G131 PolarHBondContact O-N 3.38Å; D129-A132 HydrophobicContact CB-CB 3.91Å; D129-A132 WeakPolarHBondContact O-CB 3.47Å; D129-A132 PolarHBondContact O-N 3.07Å
130	P	66.9	Low	84.8	Confident	122 Å²	122	62.1 Å²	62.1	79%	0.792	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	100.9	179.2	-20.6	31.9	0	0	0	111.5
131	G	73.2	Confident	85	Confident	72 Å²	72	62.1 Å²	62.1	74%	0.742	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.3	-7.4	-178.6	0	0	0	0	0	114.3	D129	D129-G131 PolarHBondContact O-N 3.38Å
132	A	81.3	Confident	85.3	Confident	16 Å²	16	57.8 Å²	57.8	13%	0.132	34%	0.335	C	S	.	.			trans	-64.2	142.4	170	0	0	0	0	0	110.9	Q122 D129	Q122-A132 WeakPolarHBondContact O-CA 3.39Å; D129-A132 HydrophobicContact CB-CB 3.91Å; D129-A132 WeakPolarHBondContact O-CB 3.47Å; D129-A132 PolarHBondContact O-N 3.07Å
133	M	87.7	Confident	85.7	Confident	50 Å²	50	53.3 Å²	53.3	25%	0.246	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-70.6	148.8	175.7	-64.2	173	-75.3	0	0	110.6	Q122 F123 G124 R135 F137	Q122-M133 WeakPolarHBondContact O-CE 3.35Å; Q122-M133 PolarHBondContact O-N 3.39Å; F123-M133 CarbonylContact C-O 3.52Å; F123-M133 WeakPolarHBondContact CA-O 3.25Å; F123-M133 HydrophobicContact CB-CB 4.29Å; F123-M133 WeakPolarHBondContact CB-O 3.48Å; G124-M133 PolarHBondContact N-O 3.4Å; M133-R135 PolarHBondContact O-N 2.91Å; M133-F137 HydrophobicContact CE-CD2 3.79Å; M133-F137 HydrophobicContact CE-CE1 4.25Å; M133-F137 HydrophobicContact CE-CE2 3.07Å; M133-F137 HydrophobicContact CE-CZ 3.38Å; M133-F137 HydrophobicContact SD-CD1 4.27Å; M133-F137 HydrophobicContact SD-CD2 4.28Å; M133-F137 HydrophobicContact SD-CE1 3.55Å; M133-F137 VanDerWaalsContact SD-CE1 3.55Å; M133-F137 HydrophobicContact SD-CE2 3.55Å; M133-F137 VanDerWaalsContact SD-CE2 3.55Å; M133-F137 HydrophobicContact SD-CZ 3.15Å; M133-F137 WeakPolarHBondContact SD-CZ 3.25Å
134	S	89.8	Confident	86.1	Confident	96 Å²	96	52.1 Å²	52.1	67%	0.671	31%	0.309	S	S	*	.	S	Bend	trans	-72.7	-10.4	178	56.5	0	0	0	0	114.1	V12	V12-S134 WeakPolarHBondContact CG2-O 3.08Å
135	R	92.9	Very high	86.7	Confident	108 Å²	108	51.8 Å²	51.8	41%	0.408	31%	0.305	S	S	.	.	S	Bend	trans	-152.8	156.7	178.8	63.4	168.5	-176	81.7	-0.5	111.2	D84 M133	D84-R135 IonicContact OD1-CZ 2.73Å; D84-R135 IonicContact OD1-NH1 2.61Å; D84-R135 IonicContact OD1-NH2 2.72Å; D84-R135 PolarHBondContact OD1-NH2 2.89Å; D84-R135 IonicContact OD2-CZ 2.82Å; D84-R135 IonicContact OD2-NH1 3.27Å; D84-R135 PolarHBondContact OD2-NH1 3.29Å; D84-R135 IonicContact OD2-NH2 2.95Å; D84-R135 PolarHBondContact OD2-NH2 3.14Å; M133-R135 PolarHBondContact O-N 2.91Å
136	P	95.2	Very high	87.6	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.032	29%	0.291	C	S	.	.			trans	-65	158.8	169.1	27.5	-34.6	0	0	0	111.8	Q23 A27 F123	Q23-P136 HydrophobicContact CB-CG 4.03Å; Q23-P136 WeakPolarHBondContact O-CG 3.42Å; A27-P136 HydrophobicContact CB-CB 4.29Å; A27-P136 HydrophobicContact CB-CG 3.97Å; F123-P136 HydrophobicContact CD1-CB 4Å; F123-P136 HydrophobicContact CE1-CB 4.09Å; F123-P136 HydrophobicContact CG-CB 4.23Å; F123-P136 HydrophobicContact CZ-CB 4.41Å
137	F	96.9	Very high	88.9	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.031	26%	0.259	C	S	.	.			trans	-71.1	134.3	171.4	-65.1	-74.9	0	0	0	110.8	D84 T87 L88 L119 A120 M133 V139 P158	D84-F137 HydrophobicContact CB-CB 4.22Å; D84-F137 HydrophobicContact CB-CD1 3.74Å; D84-F137 HydrophobicContact CB-CG 4.46Å; D84-F137 WeakPolarHBondContact OD2-CA 3.49Å; T87-F137 HydrophobicContact CG2-CE1 4.17Å; T87-F137 HydrophobicContact CG2-CZ 4.06Å; L88-F137 HydrophobicContact CD1-CB 4.31Å; L88-F137 HydrophobicContact CD1-CD2 4.2Å; L88-F137 HydrophobicContact CD1-CG 4.17Å; L88-F137 HydrophobicContact CD2-CD2 3.7Å; L88-F137 HydrophobicContact CD2-CE1 4.36Å; L88-F137 HydrophobicContact CD2-CE2 3.37Å; L88-F137 HydrophobicContact CD2-CG 4.29Å; L88-F137 HydrophobicContact CD2-CZ 3.72Å; L88-F137 HydrophobicContact CG-CD1 4.43Å; L88-F137 HydrophobicContact CG-CD2 4.19Å; L88-F137 HydrophobicContact CG-CE1 4.39Å; L88-F137 HydrophobicContact CG-CE2 4.16Å; L88-F137 HydrophobicContact CG-CG 4.3Å; L88-F137 HydrophobicContact CG-CZ 4.24Å; L119-F137 HydrophobicContact CG-CE2 4.22Å; L119-F137 HydrophobicContact CG-CZ 4.42Å; A120-F137 HydrophobicContact CB-CD2 4.01Å; A120-F137 HydrophobicContact CB-CE2 4.45Å; M133-F137 HydrophobicContact CE-CD2 3.79Å; M133-F137 HydrophobicContact CE-CE1 4.25Å; M133-F137 HydrophobicContact CE-CE2 3.07Å; M133-F137 HydrophobicContact CE-CZ 3.38Å; M133-F137 HydrophobicContact SD-CD1 4.27Å; M133-F137 HydrophobicContact SD-CD2 4.28Å; M133-F137 HydrophobicContact SD-CE1 3.55Å; M133-F137 VanDerWaalsContact SD-CE1 3.55Å; M133-F137 HydrophobicContact SD-CE2 3.55Å; M133-F137 VanDerWaalsContact SD-CE2 3.55Å; M133-F137 HydrophobicContact SD-CZ 3.15Å; M133-F137 WeakPolarHBondContact SD-CZ 3.25Å; F137-V139 VanDerWaalsContact C-N 3.31Å; F137-V139 HydrophobicContact CB-CG1 4.2Å; F137-V139 PolarHBondContact O-N 3.16Å; F137-P158 WeakPolarHBondContact O-CB 3.09Å; F137-P158 WeakPolarHBondContact O-CG 3.29Å
138	G	97.2	Very high	90.2	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.031	26%	0.261	C	S	.	.			trans	-91.2	44.5	179.5	0	0	0	0	0	113.6	L81 D84	L81-G138 PolarHBondContact N-O 2.86Å; D84-G138 PolarHBondContact OD2-N 2.56Å
139	V	97.8	Very high	91.6	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.3	-174	69.9	0	0	0	0	111.7	M78 S79 D84 A85 L88 F137 L141 P158	M78-V139 HydrophobicContact CB-CG2 4.26Å; S79-V139 WeakPolarHBondContact O-CA 3.36Å; S79-V139 VanDerWaalsContact O-CG2 3.27Å; S79-V139 WeakPolarHBondContact O-CG2 3.07Å; D84-V139 HydrophobicContact CB-CG1 4.27Å; A85-V139 HydrophobicContact CB-CG2 3.89Å; L88-V139 HydrophobicContact CD1-CG1 3.56Å; F137-V139 VanDerWaalsContact C-N 3.31Å; F137-V139 HydrophobicContact CB-CG1 4.2Å; F137-V139 PolarHBondContact O-N 3.16Å; V139-L141 HydrophobicContact CG2-CD2 4.1Å; V139-P158 WeakPolarHBondContact O-CD 3.44Å
140	A	98.3	Very high	92.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	146.8	164.4	0	0	0	0	0	110.2	I31 S79 M156 I170	I31-A140 HydrophobicContact CD1-CB 3.55Å; I31-A140 HydrophobicContact CG1-CB 4.13Å; I31-A140 HydrophobicContact CG2-CB 3.86Å; S79-A140 PolarHBondContact N-O 3.49Å; S79-A140 PolarHBondContact O-N 3.34Å; A140-M156 VanDerWaalsContact CA-O 3.3Å; A140-M156 WeakPolarHBondContact CA-O 3.45Å; A140-I170 HydrophobicContact CB-CB 4.37Å; A140-I170 HydrophobicContact CB-CD1 3.83Å; A140-I170 HydrophobicContact CB-CG2 4.22Å; A140-I170 WeakPolarHBondContact O-CD1 3.43Å
141	L	98.7	Very high	94.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.2	-178.3	-58.6	177.3	0	0	0	110.6	A77 M78 L88 V116 V139 F143 H155 M156	A77-L141 WeakPolarHBondContact O-CA 3.49Å; M78-L141 HydrophobicContact CB-CD2 3.68Å; L88-L141 HydrophobicContact CB-CD1 3.98Å; L88-L141 HydrophobicContact CD1-CD1 3.84Å; V116-L141 HydrophobicContact CG1-CD1 4.02Å; V139-L141 HydrophobicContact CG2-CD2 4.1Å; L141-F143 HydrophobicContact CB-CD2 4.17Å; L141-F143 HydrophobicContact CB-CE2 3.62Å; L141-F143 HydrophobicContact CB-CZ 4.22Å; L141-F143 HydrophobicContact CD1-CE2 3.76Å; L141-F143 HydrophobicContact CD1-CZ 3.65Å; L141-F143 HydrophobicContact CG-CE2 4.36Å; L141-H155 WeakPolarHBondContact O-CA 3.44Å; L141-M156 PolarHBondContact N-O 3.17Å; L141-M156 PolarHBondContact O-N 3.08Å
142	L	98.8	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	106.6	168	-63.8	178.3	0	0	0	108.4	A37 L48 C76 A77 L153 Y154 H155 R168 I170	A37-L142 HydrophobicContact CB-CD1 4.41Å; L48-L142 HydrophobicContact CD2-CB 4.17Å; C76-L142 CarbonylContact C-O 3.49Å; C76-L142 VanDerWaalsContact CA-O 3.31Å; C76-L142 WeakPolarHBondContact CA-O 3.5Å; A77-L142 HydrophobicContact CB-CB 4.26Å; A77-L142 PolarHBondContact N-O 2.87Å; A77-L142 PolarHBondContact O-N 3.49Å; L142-L153 HydrophobicContact CB-CD1 4.25Å; L142-Y154 CarbonylContact C-O 3.57Å; L142-Y154 WeakPolarHBondContact CA-O 3.29Å; L142-H155 HydrophobicContact CD2-CB 3.99Å; L142-R168 HydrophobicContact CD2-CB 3.9Å; L142-R168 HydrophobicContact CD2-CG 3.79Å; L142-I170 HydrophobicContact CD1-CD1 4.22Å; L142-I170 HydrophobicContact CD1-CG1 4.07Å; L142-I170 HydrophobicContact CD2-CG2 4.27Å; L142-I170 HydrophobicContact CG-CD1 3.83Å; L142-I170 HydrophobicContact CG-CG1 4.16Å
143	F	98.8	Very high	96.3	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.9	173.8	-67.3	-88.5	0	0	0	109	I70 I74 C76 A92 V109 V112 T113 V116 L141 L153 Y154 M156	I70-F143 HydrophobicContact CG1-CE1 4.5Å; I74-F143 HydrophobicContact CG2-CD1 4.45Å; C76-F143 HydrophobicContact CB-CD1 4.15Å; C76-F143 HydrophobicContact CB-CE1 4.19Å; A92-F143 HydrophobicContact CB-CE1 4.36Å; V109-F143 HydrophobicContact CG1-CB 4.13Å; V112-F143 HydrophobicContact CG1-CD1 4.34Å; T113-F143 HydrophobicContact CG2-CD2 3.92Å; T113-F143 HydrophobicContact CG2-CE2 4.22Å; V116-F143 HydrophobicContact CB-CZ 4.2Å; V116-F143 HydrophobicContact CG1-CZ 4.17Å; V116-F143 HydrophobicContact CG2-CE1 4.49Å; V116-F143 HydrophobicContact CG2-CZ 4Å; L141-F143 HydrophobicContact CB-CD2 4.17Å; L141-F143 HydrophobicContact CB-CE2 3.62Å; L141-F143 HydrophobicContact CB-CZ 4.22Å; L141-F143 HydrophobicContact CD1-CE2 3.76Å; L141-F143 HydrophobicContact CD1-CZ 3.65Å; L141-F143 HydrophobicContact CG-CE2 4.36Å; F143-L153 CarbonylContact O-C 3.48Å; F143-L153 VanDerWaalsContact O-CA 3.29Å; F143-L153 WeakPolarHBondContact O-CA 3.42Å; F143-Y154 PolarHBondContact N-O 3.37Å; F143-Y154 PolarHBondContact O-N 3.48Å; F143-M156 HydrophobicContact CE2-CB 4.43Å; F143-M156 HydrophobicContact CE2-SD 4.44Å
144	G	98.7	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.6	172.7	0	0	0	0	0	109.6	G75 Q152	G75-G144 PolarHBondContact N-O 3.37Å; G75-G144 PolarHBondContact O-N 2.76Å; G75-G144 VanDerWaalsContact O-O 3.1Å; G144-Q152 WeakPolarHBondContact CA-O 3.36Å
145	G	98	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	176.1	-179.6	0	0	0	0	0	114	H73 P151 Q152	H73-G145 CarbonylContact O-C 3.54Å; H73-G145 WeakPolarHBondContact O-CA 3.49Å; G145-P151 WeakPolarHBondContact O-CA 3.32Å; G145-Q152 PolarHBondContact N-O 2.88Å; G145-Q152 PolarHBondContact O-N 2.85Å
146	L	97.2	Very high	97.5	Very high	38 Å²	38	22.6 Å²	22.6	20%	0.199	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	115.8	177.7	178.2	69.9	0	0	0	109	H73 P151 I220 P222	H73-L146 PolarHBondContact CD2-O 2.92Å; H73-L146 VanDerWaalsContact CD2-O 3.28Å; H73-L146 PolarHBondContact O-N 3.42Å; L146-P151 HydrophobicContact CD1-CB 4.47Å; L146-P151 HydrophobicContact CD1-CG 3.88Å; L146-I220 HydrophobicContact CB-CG2 3.92Å; L146-P222 HydrophobicContact CD1-CG 4.43Å; L146-P222 HydrophobicContact CD2-CB 4.24Å; L146-P222 HydrophobicContact CD2-CG 3.89Å
147	D	95.6	Very high	97.6	Very high	19 Å²	19	23.9 Å²	23.9	10%	0.102	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-166.9	173	66.4	30.5	0	0	0	111.2	T108 V109 K149 G150 Q152	T108-D147 WeakPolarHBondContact CA-OD2 3.13Å; T108-D147 VanDerWaalsContact CB-OD2 3.3Å; T108-D147 WeakPolarHBondContact CB-OD2 3.46Å; V109-D147 PolarHBondContact N-OD2 3.4Å; D147-K149 PolarHBondContact O-N 3.48Å; D147-K149 VanDerWaalsContact O-N 3.12Å; D147-K149 WeakPolarHBondContact OD1-CA 3.32Å; D147-K149 VanDerWaalsContact OD1-CB 3.29Å; D147-K149 WeakPolarHBondContact OD1-CB 3.48Å; D147-K149 PolarHBondContact OD1-N 3.34Å; D147-G150 PolarHBondContact N-O 2.93Å; D147-G150 WeakPolarHBondContact O-CA 3.45Å; D147-G150 PolarHBondContact O-N 3.36Å; D147-Q152 PolarHBondContact OD2-OE1 2.8Å
148	E	94.4	Very high	97.5	Very high	196 Å²	196	23.7 Å²	23.7	92%	0.916	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22	-178.9	-58.5	-169.9	156.6	0	0	113.7	G150	E148-G150 VanDerWaalsContact C-N 3.26Å
149	K	95.6	Very high	97.4	Very high	131 Å²	131	25 Å²	25	57%	0.57	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.9	175	-59.3	175.2	-179.4	175.5	0	112.3	E110 D147	E110-K149 IonicContact OE2-NZ 2.77Å; E110-K149 PolarHBondContact OE2-NZ 2.87Å; D147-K149 PolarHBondContact O-N 3.48Å; D147-K149 VanDerWaalsContact O-N 3.12Å; D147-K149 WeakPolarHBondContact OD1-CA 3.32Å; D147-K149 VanDerWaalsContact OD1-CB 3.29Å; D147-K149 WeakPolarHBondContact OD1-CB 3.48Å; D147-K149 PolarHBondContact OD1-N 3.34Å
150	G	96.4	Very high	97.1	Very high	20 Å²	20	25.1 Å²	25.1	21%	0.206	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.4	-164.4	-176.4	0	0	0	0	0	113	D147 E148 Q152	D147-G150 PolarHBondContact N-O 2.93Å; D147-G150 WeakPolarHBondContact O-CA 3.45Å; D147-G150 PolarHBondContact O-N 3.36Å; E148-G150 VanDerWaalsContact C-N 3.26Å; G150-Q152 PolarHBondContact O-N 2.94Å
151	P	97.9	Very high	97	Very high	20 Å²	20	28.6 Å²	28.6	13%	0.13	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.3	178.1	-20.2	31.7	0	0	0	111.4	Q41 T42 V46 G145 L146	Q41-P151 HydrophobicContact CG-CB 4.29Å; Q41-P151 WeakPolarHBondContact CG-O 3.46Å; T42-P151 WeakPolarHBondContact O-CB 3.49Å; T42-P151 WeakPolarHBondContact O-CG 3.49Å; V46-P151 HydrophobicContact CG2-CB 3.85Å; G145-P151 WeakPolarHBondContact O-CA 3.32Å; L146-P151 HydrophobicContact CD1-CB 4.47Å; L146-P151 HydrophobicContact CD1-CG 3.88Å
152	Q	98.3	Very high	97	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.033	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.6	-178.8	-57.1	-169.2	-42.8	0	0	111.7	V46 V109 G144 G145 D147 G150 Y154	V46-Q152 WeakPolarHBondContact CG2-O 3.36Å; V109-Q152 HydrophobicContact CB-CB 4.28Å; V109-Q152 HydrophobicContact CG2-CB 4.3Å; G144-Q152 WeakPolarHBondContact CA-O 3.36Å; G145-Q152 PolarHBondContact N-O 2.88Å; G145-Q152 PolarHBondContact O-N 2.85Å; D147-Q152 PolarHBondContact OD2-OE1 2.8Å; G150-Q152 PolarHBondContact O-N 2.94Å; Q152-Y154 HydrophobicContact CB-CD2 4.37Å; Q152-Y154 HydrophobicContact CB-CE2 4.03Å
153	L	98.8	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.6	172.6	175.1	74.8	0	0	0	109.1	G39 Q41 V46 L48 L142 F143 Q164 C165	G39-L153 VanDerWaalsContact C-CD2 3.45Å; G39-L153 WeakPolarHBondContact O-CD2 3.43Å; Q41-L153 HydrophobicContact CB-CB 3.92Å; V46-L153 HydrophobicContact CG1-CB 4.39Å; V46-L153 HydrophobicContact CG1-CD1 4.2Å; L48-L153 HydrophobicContact CD2-CD1 3.97Å; L142-L153 HydrophobicContact CB-CD1 4.25Å; F143-L153 CarbonylContact O-C 3.48Å; F143-L153 VanDerWaalsContact O-CA 3.29Å; F143-L153 WeakPolarHBondContact O-CA 3.42Å; L153-Q164 WeakPolarHBondContact O-CA 3.49Å; L153-C165 WeakPolarHBondContact CB-O 3.43Å; L153-C165 HydrophobicContact CD2-CB 4.34Å; L153-C165 PolarHBondContact O-N 2.91Å
154	Y	98.9	Very high	96.9	Very high	5 Å²	5	39 Å²	39	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.2	175.3	-76.7	-92.3	0	0	0	110.8	V109 E110 T113 L142 F143 Q152 F162 V163 Q164	V109-Y154 HydrophobicContact CB-CD2 4.28Å; V109-Y154 HydrophobicContact CB-CE2 4.33Å; V109-Y154 HydrophobicContact CG1-CD2 3.81Å; V109-Y154 HydrophobicContact CG1-CE2 4.35Å; E110-Y154 HydrophobicContact CB-CE1 4.43Å; E110-Y154 HydrophobicContact CB-CE2 4.06Å; E110-Y154 WeakPolarHBondContact CB-OH 3.3Å; E110-Y154 HydrophobicContact CG-CE1 4.23Å; T113-Y154 HydrophobicContact CG2-CG 4.46Å; L142-Y154 CarbonylContact C-O 3.57Å; L142-Y154 WeakPolarHBondContact CA-O 3.29Å; F143-Y154 PolarHBondContact N-O 3.37Å; F143-Y154 PolarHBondContact O-N 3.48Å; Q152-Y154 HydrophobicContact CB-CD2 4.37Å; Q152-Y154 HydrophobicContact CB-CE2 4.03Å; Y154-F162 AromaticContact CD1-CD2 3.76Å; Y154-F162 HydrophobicContact CD1-CD2 3.76Å; Y154-F162 HydrophobicContact CD1-CE2 4.31Å; Y154-F162 HydrophobicContact CE1-CD2 4.09Å; Y154-F162 HydrophobicContact CE1-CE2 4.19Å; Y154-V163 WeakPolarHBondContact CA-O 3.31Å; Y154-Q164 HydrophobicContact CD1-CB 3.92Å; Y154-Q164 HydrophobicContact CD1-CG 4.43Å; Y154-Q164 HydrophobicContact CE1-CB 3.5Å; Y154-Q164 HydrophobicContact CE1-CG 4.02Å; Y154-Q164 HydrophobicContact CE2-CB 4.48Å; Y154-Q164 HydrophobicContact CE2-CG 4.09Å
155	H	98.6	Very high	96.9	Very high	11 Å²	11	40 Å²	40	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.5	170.2	166.3	-94.2	0	0	0	109.2	L141 L142 D157 F162 V163 R168 I170	L141-H155 WeakPolarHBondContact O-CA 3.44Å; L142-H155 HydrophobicContact CD2-CB 3.99Å; H155-D157 IonicContact CE1-OD2 2.68Å; H155-F162 CarbonylContact O-C 3.59Å; H155-F162 WeakPolarHBondContact O-CA 3.49Å; H155-F162 WeakPolarHBondContact O-CB 3.46Å; H155-V163 PolarHBondContact N-O 3.46Å; H155-V163 PolarHBondContact O-N 3.49Å; H155-R168 HydrophobicContact CB-CG 4.02Å; H155-R168 PolarHBondContact CD2-NE 2.95Å; H155-R168 PolarHBondContact CE1-NH2 3.4Å; H155-R168 VanDerWaalsContact CE1-NH2 3.34Å; H155-R168 PolarHBondContact NE2-NH2 2.86Å; H155-I170 VanDerWaalsContact CD2-CG2 3.45Å; H155-I170 WeakPolarHBondContact CD2-CG2 3.45Å
156	M	98.3	Very high	96.9	Very high	5 Å²	5	43 Å²	43	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137	172.3	177	-174.8	157.3	0	0	109.7	T113 V116 S117 A120 A140 L141 F143 T161 F162	T113-M156 HydrophobicContact CG2-CB 4.3Å; V116-M156 HydrophobicContact CB-SD 4.14Å; V116-M156 HydrophobicContact CG1-CE 4.02Å; V116-M156 HydrophobicContact CG1-SD 3.77Å; S117-M156 VanDerWaalsContact CA-CE 3.48Å; A120-M156 HydrophobicContact CB-CE 3.24Å; A140-M156 VanDerWaalsContact CA-O 3.3Å; A140-M156 WeakPolarHBondContact CA-O 3.45Å; L141-M156 PolarHBondContact N-O 3.17Å; L141-M156 PolarHBondContact O-N 3.08Å; F143-M156 HydrophobicContact CE2-CB 4.43Å; F143-M156 HydrophobicContact CE2-SD 4.44Å; M156-T161 WeakPolarHBondContact CA-O 3.19Å; M156-F162 HydrophobicContact CB-CB 4.01Å; M156-F162 HydrophobicContact CG-CB 4.34Å
157	D	96.3	Very high	96.9	Very high	33 Å²	33	41.9 Å²	41.9	18%	0.176	22%	0.223	C	C	.	.			trans	-118.1	171.4	176.1	72.8	38.3	0	0	0	112.4	H155 S159 G160 T161	H155-D157 IonicContact CE1-OD2 2.68Å; D157-S159 PolarHBondContact O-N 3.15Å; D157-S159 WeakPolarHBondContact OD1-CA 3.48Å; D157-S159 WeakPolarHBondContact OD1-CB 3.47Å; D157-S159 PolarHBondContact OD1-N 3.04Å; D157-S159 PolarHBondContact OD1-OG 3.17Å; D157-G160 PolarHBondContact O-N 3.12Å; D157-T161 PolarHBondContact N-O 2.83Å; D157-T161 VanDerWaalsContact N-O 3.16Å
158	P	95.4	Very high	97.1	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.013	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.1	-178.8	-35.3	41.5	0	0	0	116.1	A27 I31 F137 V139 G160	A27-P158 HydrophobicContact CB-CB 3.6Å; A27-P158 HydrophobicContact CB-CG 3.96Å; I31-P158 HydrophobicContact CD1-CG 3.5Å; I31-P158 VanDerWaalsContact CD1-CG 3.5Å; I31-P158 HydrophobicContact CG1-CG 4.26Å; F137-P158 WeakPolarHBondContact O-CB 3.09Å; F137-P158 WeakPolarHBondContact O-CG 3.29Å; V139-P158 WeakPolarHBondContact O-CD 3.44Å; P158-G160 PolarHBondContact O-N 3.42Å
159	S	94.1	Very high	97.3	Very high	32 Å²	32	36 Å²	36	22%	0.224	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.7	175.5	75.6	0	0	0	0	112.5	L121 D157 T161	L121-S159 WeakPolarHBondContact CD2-O 3.36Å; D157-S159 PolarHBondContact O-N 3.15Å; D157-S159 WeakPolarHBondContact OD1-CA 3.48Å; D157-S159 WeakPolarHBondContact OD1-CB 3.47Å; D157-S159 PolarHBondContact OD1-N 3.04Å; D157-S159 PolarHBondContact OD1-OG 3.17Å; S159-T161 PolarHBondContact O-N 3.06Å; S159-T161 WeakPolarHBondContact OG-CB 3.4Å; S159-T161 PolarHBondContact OG-N 2.88Å; S159-T161 VanDerWaalsContact OG-N 3.1Å; S159-T161 PolarHBondContact OG-OG1 3.18Å
160	G	92.4	Very high	97.4	Very high	5 Å²	5	30 Å²	30	5%	0.052	17%	0.167	C	C	.	.	S	Bend	trans	79.3	-3.1	-169	0	0	0	0	0	112.7	S117 D157 P158	S117-G160 WeakPolarHBondContact CB-O 3.25Å; S117-G160 PolarHBondContact OG-O 3Å; D157-G160 PolarHBondContact O-N 3.12Å; P158-G160 PolarHBondContact O-N 3.42Å
161	T	96	Very high	97.5	Very high	74 Å²	74	29.1 Å²	29.1	45%	0.454	16%	0.157	S	C	.	.			trans	-71.8	135.1	172.8	-54.3	0	0	0	0	109.7	M156 D157 S159 V163	M156-T161 WeakPolarHBondContact CA-O 3.19Å; D157-T161 PolarHBondContact N-O 2.83Å; D157-T161 VanDerWaalsContact N-O 3.16Å; S159-T161 PolarHBondContact O-N 3.06Å; S159-T161 WeakPolarHBondContact OG-CB 3.4Å; S159-T161 PolarHBondContact OG-N 2.88Å; S159-T161 VanDerWaalsContact OG-N 3.1Å; S159-T161 PolarHBondContact OG-OG1 3.18Å; T161-V163 HydrophobicContact CG2-CG2 4.18Å
162	F	97.6	Very high	97.4	Very high	41 Å²	41	30.6 Å²	30.6	18%	0.18	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.9	168.7	69.3	-81.5	0	0	0	111.3	E110 T113 Q114 Y154 H155 M156	E110-F162 HydrophobicContact CG-CE2 4.33Å; T113-F162 HydrophobicContact CG2-CB 3.47Å; T113-F162 VanDerWaalsContact CG2-CB 3.47Å; T113-F162 HydrophobicContact CG2-CD1 4.42Å; T113-F162 HydrophobicContact CG2-CD2 3.64Å; T113-F162 HydrophobicContact CG2-CG 3.58Å; Q114-F162 HydrophobicContact CB-CE1 4.05Å; Q114-F162 HydrophobicContact CB-CZ 3.88Å; Q114-F162 VanDerWaalsContact CD-CE1 3.41Å; Q114-F162 HydrophobicContact CG-CE1 4.33Å; Q114-F162 HydrophobicContact CG-CZ 4.35Å; Y154-F162 AromaticContact CD1-CD2 3.76Å; Y154-F162 HydrophobicContact CD1-CD2 3.76Å; Y154-F162 HydrophobicContact CD1-CE2 4.31Å; Y154-F162 HydrophobicContact CE1-CD2 4.09Å; Y154-F162 HydrophobicContact CE1-CE2 4.19Å; H155-F162 CarbonylContact O-C 3.59Å; H155-F162 WeakPolarHBondContact O-CA 3.49Å; H155-F162 WeakPolarHBondContact O-CB 3.46Å; M156-F162 HydrophobicContact CB-CB 4.01Å; M156-F162 HydrophobicContact CG-CB 4.34Å
163	V	98.1	Very high	97.3	Very high	76 Å²	76	31.3 Å²	31.3	46%	0.461	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.4	-174.1	-172.3	0	0	0	0	109.4	Y154 H155 T161 C165	Y154-V163 WeakPolarHBondContact CA-O 3.31Å; H155-V163 PolarHBondContact N-O 3.46Å; H155-V163 PolarHBondContact O-N 3.49Å; T161-V163 HydrophobicContact CG2-CG2 4.18Å; V163-C165 PolarHBondContact O-N 3.04Å; V163-C165 PolarHBondContact O-SG 2.89Å; V163-C165 VanDerWaalsContact O-SG 3.37Å
164	Q	98.4	Very high	97.2	Very high	105 Å²	105	32.4 Å²	32.4	49%	0.491	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.2	170.5	-164.5	178.7	-1.5	0	0	109.4	L153 Y154	L153-Q164 WeakPolarHBondContact O-CA 3.49Å; Y154-Q164 HydrophobicContact CD1-CB 3.92Å; Y154-Q164 HydrophobicContact CD1-CG 4.43Å; Y154-Q164 HydrophobicContact CE1-CB 3.5Å; Y154-Q164 HydrophobicContact CE1-CG 4.02Å; Y154-Q164 HydrophobicContact CE2-CB 4.48Å; Y154-Q164 HydrophobicContact CE2-CG 4.09Å
165	C	97.8	Very high	97.1	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.128	21%	0.213	C	C	.	.			trans	-126.2	148.4	-175.7	-62.2	0	0	0	0	110.7	L153 V163 R168	L153-C165 WeakPolarHBondContact CB-O 3.43Å; L153-C165 HydrophobicContact CD2-CB 4.34Å; L153-C165 PolarHBondContact O-N 2.91Å; V163-C165 PolarHBondContact O-N 3.04Å; V163-C165 PolarHBondContact O-SG 2.89Å; V163-C165 VanDerWaalsContact O-SG 3.37Å; C165-R168 HydrophobicContact CB-CB 4.17Å
166	D	98.4	Very high	97	Very high	63 Å²	63	40.1 Å²	40.1	34%	0.337	23%	0.229	S	C	.	.	S	Bend	trans	-80.6	-41.6	170	-74.3	-16.8	0	0	0	111.6	Q41 Y185 K187	Q41-D166 WeakPolarHBondContact CB-O 3.5Å; Q41-D166 PolarHBondContact N-O 3.3Å; D166-Y185 HydrophobicContact CB-CE1 3.72Å; D166-Y185 HydrophobicContact CB-CE2 4.3Å; D166-Y185 WeakPolarHBondContact CB-OH 3.2Å; D166-K187 IonicContact OD1-NZ 3.16Å; D166-K187 PolarHBondContact OD1-NZ 3.45Å; D166-K187 WeakPolarHBondContact OD2-CE 3.1Å; D166-K187 IonicContact OD2-NZ 2.88Å; D166-K187 PolarHBondContact OD2-NZ 2.97Å
167	A	98.6	Very high	97	Very high	15 Å²	15	39.9 Å²	39.9	12%	0.124	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	143.2	171.7	0	0	0	0	0	109	G39 I40 L181 Y185	G39-A167 CarbonylContact O-C 3.56Å; G39-A167 VanDerWaalsContact O-CA 3.23Å; G39-A167 WeakPolarHBondContact O-CA 3.45Å; I40-A167 HydrophobicContact CG1-CB 4.23Å; I40-A167 HydrophobicContact CG2-CB 4.42Å; A167-L181 HydrophobicContact CB-CD1 4.32Å; A167-L181 HydrophobicContact CB-CD2 4.21Å; A167-Y185 HydrophobicContact CB-CD2 4.03Å; A167-Y185 HydrophobicContact CB-CE2 4.45Å; A167-Y185 HydrophobicContact CB-CG 4.4Å
168	R	98.6	Very high	97.1	Very high	88 Å²	88	40.3 Å²	40.3	33%	0.332	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	136.4	-178	-173.7	69.1	167.7	-176.8	-1.3	111	I38 G39 L142 H155 C165 I170	I38-R168 WeakPolarHBondContact CA-O 3.31Å; G39-R168 PolarHBondContact N-O 3.43Å; G39-R168 PolarHBondContact O-N 2.86Å; L142-R168 HydrophobicContact CD2-CB 3.9Å; L142-R168 HydrophobicContact CD2-CG 3.79Å; H155-R168 HydrophobicContact CB-CG 4.02Å; H155-R168 PolarHBondContact CD2-NE 2.95Å; H155-R168 PolarHBondContact CE1-NH2 3.4Å; H155-R168 VanDerWaalsContact CE1-NH2 3.34Å; H155-R168 PolarHBondContact NE2-NH2 2.86Å; C165-R168 HydrophobicContact CB-CB 4.17Å; R168-I170 HydrophobicContact CG-CG2 4.24Å
169	A	98.6	Very high	97.2	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.033	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.2	165	0	0	0	0	0	111	A37 I38 A177 Q178 L181	A37-A169 CarbonylContact O-C 3.46Å; A37-A169 VanDerWaalsContact O-CA 3.32Å; A37-A169 WeakPolarHBondContact O-CA 3.24Å; I38-A169 HydrophobicContact CG1-CB 4.19Å; A169-A177 HydrophobicContact CB-CB 3.59Å; A169-Q178 HydrophobicContact CB-CB 4.43Å; A169-L181 HydrophobicContact CB-CD1 4.02Å
170	I	98.4	Very high	97.4	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	163.5	172.1	61.8	171.4	0	0	0	110.3	T36 A37 A140 L142 H155 R168	T36-I170 WeakPolarHBondContact CA-O 3.46Å; A37-I170 HydrophobicContact CB-CD1 4.3Å; A37-I170 HydrophobicContact CB-CG1 3.79Å; A37-I170 PolarHBondContact N-O 3.16Å; A37-I170 PolarHBondContact O-N 2.76Å; A140-I170 HydrophobicContact CB-CB 4.37Å; A140-I170 HydrophobicContact CB-CD1 3.83Å; A140-I170 HydrophobicContact CB-CG2 4.22Å; A140-I170 WeakPolarHBondContact O-CD1 3.43Å; L142-I170 HydrophobicContact CD1-CD1 4.22Å; L142-I170 HydrophobicContact CD1-CG1 4.07Å; L142-I170 HydrophobicContact CD2-CG2 4.27Å; L142-I170 HydrophobicContact CG-CD1 3.83Å; L142-I170 HydrophobicContact CG-CG1 4.16Å; H155-I170 VanDerWaalsContact CD2-CG2 3.45Å; H155-I170 WeakPolarHBondContact CD2-CG2 3.45Å; R168-I170 HydrophobicContact CG-CG2 4.24Å
171	G	97.4	Very high	97.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	97.9	-168.2	-177.1	0	0	0	0	0	113.6	I31 S79 A173 S174	I31-G171 WeakPolarHBondContact O-CA 3.49Å; S79-G171 WeakPolarHBondContact OG-CA 3.47Å; G171-A173 PolarHBondContact O-N 2.88Å; G171-S174 WeakPolarHBondContact O-CB 3.15Å; G171-S174 PolarHBondContact O-N 3.21Å; G171-S174 PolarHBondContact O-OG 3.34Å
172	S	95.9	Very high	97.8	Very high	51 Å²	51	46.1 Å²	46.1	36%	0.357	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.4	-167.2	69.1	0	0	0	0	115.2	K32 G34 R53	K32-S172 WeakPolarHBondContact O-CA 3.42Å; K32-S172 WeakPolarHBondContact O-CB 3.3Å; G34-S172 WeakPolarHBondContact O-CB 3.43Å; G34-S172 PolarHBondContact O-N 2.84Å; G34-S172 PolarHBondContact O-OG 2.85Å; R53-S172 PolarHBondContact NH2-OG 2.79Å
173	A	96.1	Very high	97.8	Very high	22 Å²	22	52.1 Å²	52.1	18%	0.182	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	21.9	178.8	0	0	0	0	0	112.6	T36 G171 E175 G176 A177 V205	T36-A173 HydrophobicContact CG2-CB 4.45Å; T36-A173 WeakPolarHBondContact OG1-CB 3.45Å; T36-A173 PolarHBondContact OG1-N 3.11Å; G171-A173 PolarHBondContact O-N 2.88Å; A173-E175 VanDerWaalsContact C-N 3.34Å; A173-E175 PolarHBondContact O-N 2.98Å; A173-G176 PolarHBondContact O-N 2.61Å; A173-A177 WeakPolarHBondContact O-CB 3.44Å; A173-A177 PolarHBondContact O-N 3.11Å; A173-V205 HydrophobicContact CB-CB 3.62Å; A173-V205 HydrophobicContact CB-CG1 4.35Å; A173-V205 HydrophobicContact CB-CG2 3.92Å
174	S	96.6	Very high	97.7	Very high	24 Å²	24	51.3 Å²	51.3	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-38	-176.9	52.2	0	0	0	0	113.5	G171 A177 Q178	G171-S174 WeakPolarHBondContact O-CB 3.15Å; G171-S174 PolarHBondContact O-N 3.21Å; G171-S174 PolarHBondContact O-OG 3.34Å; S174-A177 PolarHBondContact O-N 3.16Å; S174-Q178 WeakPolarHBondContact O-CB 3.48Å; S174-Q178 PolarHBondContact O-N 3.41Å
175	E	96.6	Very high	97.7	Very high	140 Å²	140	48.5 Å²	48.5	65%	0.654	26%	0.264	S	S	*	.	H	α-helix	trans	-62.3	-47	179.8	-66.7	-178.3	-178	0	0	112.2	A173 S179	A173-E175 VanDerWaalsContact C-N 3.34Å; A173-E175 PolarHBondContact O-N 2.98Å; E175-S179 PolarHBondContact O-N 3.02Å; E175-S179 VanDerWaalsContact O-N 3.12Å; E175-S179 PolarHBondContact O-OG 3.45Å
176	G	97.6	Very high	97.7	Very high	38 Å²	38	51.4 Å²	51.4	39%	0.392	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-46.6	176.5	0	0	0	0	0	111.9	A173 Q178 S179 S180	A173-G176 PolarHBondContact O-N 2.61Å; G176-Q178 VanDerWaalsContact C-N 3.34Å; G176-Q178 PolarHBondContact O-N 2.9Å; G176-S179 WeakPolarHBondContact O-CB 3.31Å; G176-S179 PolarHBondContact O-N 3Å; G176-S180 PolarHBondContact O-N 3.46Å; G176-S180 PolarHBondContact O-OG 2.63Å
177	A	98.3	Very high	97.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-39.3	178.2	0	0	0	0	0	112.5	T36 I38 A169 A173 S174 S179 S180 L181 I201 V205	T36-A177 HydrophobicContact CG2-CB 4.41Å; I38-A177 HydrophobicContact CD1-CB 4.15Å; A169-A177 HydrophobicContact CB-CB 3.59Å; A173-A177 WeakPolarHBondContact O-CB 3.44Å; A173-A177 PolarHBondContact O-N 3.11Å; S174-A177 PolarHBondContact O-N 3.16Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-S180 PolarHBondContact O-N 3.05Å; A177-L181 WeakPolarHBondContact O-CB 3.27Å; A177-L181 VanDerWaalsContact O-CG 3.31Å; A177-L181 WeakPolarHBondContact O-CG 3.24Å; A177-L181 PolarHBondContact O-N 3.24Å; A177-I201 HydrophobicContact CB-CG2 3.67Å; A177-V205 HydrophobicContact CB-CG1 4.3Å
178	Q	98.3	Very high	97.5	Very high	41 Å²	41	58 Å²	58	19%	0.192	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-37.1	177.5	-171.5	66.2	48.9	0	0	111.6	A169 S174 G176 L181 Q182	A169-Q178 HydrophobicContact CB-CB 4.43Å; S174-Q178 WeakPolarHBondContact O-CB 3.48Å; S174-Q178 PolarHBondContact O-N 3.41Å; G176-Q178 VanDerWaalsContact C-N 3.34Å; G176-Q178 PolarHBondContact O-N 2.9Å; Q178-L181 PolarHBondContact O-N 3.19Å; Q178-Q182 WeakPolarHBondContact O-CG 3.11Å; Q178-Q182 PolarHBondContact O-N 3.42Å
179	S	98.3	Very high	97.5	Very high	62 Å²	62	54.2 Å²	54.2	43%	0.434	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-47.9	174.7	-56.5	0	0	0	0	110.8	E175 G176 A177 L181 Q182 E183	E175-S179 PolarHBondContact O-N 3.02Å; E175-S179 VanDerWaalsContact O-N 3.12Å; E175-S179 PolarHBondContact O-OG 3.45Å; G176-S179 WeakPolarHBondContact O-CB 3.31Å; G176-S179 PolarHBondContact O-N 3Å; A177-S179 VanDerWaalsContact C-N 3.33Å; S179-L181 VanDerWaalsContact C-N 3.32Å; S179-L181 PolarHBondContact O-N 2.84Å; S179-Q182 WeakPolarHBondContact O-CB 3.44Å; S179-Q182 PolarHBondContact O-N 3.37Å; S179-Q182 VanDerWaalsContact O-N 3.17Å; S179-E183 PolarHBondContact O-N 3.41Å
180	S	98.3	Very high	97.5	Very high	25 Å²	25	56.2 Å²	56.2	18%	0.175	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-39.2	175	-58	0	0	0	0	112.4	G176 A177 Q182 E183 V184	G176-S180 PolarHBondContact O-N 3.46Å; G176-S180 PolarHBondContact O-OG 2.63Å; A177-S180 PolarHBondContact O-N 3.05Å; S180-Q182 VanDerWaalsContact C-N 3.32Å; S180-Q182 PolarHBondContact O-N 3.1Å; S180-E183 PolarHBondContact O-N 3.27Å; S180-V184 WeakPolarHBondContact O-CG2 3.16Å; S180-V184 PolarHBondContact O-N 2.51Å
181	L	97.9	Very high	97.4	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-40.7	175.5	-79	172	0	0	0	112	I38 I40 A167 A169 A177 Q178 S179 E183 V184 Y185 I201	I38-L181 HydrophobicContact CG2-CD1 4.08Å; I38-L181 HydrophobicContact CG2-CD2 4.09Å; I40-L181 HydrophobicContact CD1-CD2 3.7Å; I40-L181 HydrophobicContact CG1-CD2 3.94Å; A167-L181 HydrophobicContact CB-CD1 4.32Å; A167-L181 HydrophobicContact CB-CD2 4.21Å; A169-L181 HydrophobicContact CB-CD1 4.02Å; A177-L181 WeakPolarHBondContact O-CB 3.27Å; A177-L181 VanDerWaalsContact O-CG 3.31Å; A177-L181 WeakPolarHBondContact O-CG 3.24Å; A177-L181 PolarHBondContact O-N 3.24Å; Q178-L181 PolarHBondContact O-N 3.19Å; S179-L181 VanDerWaalsContact C-N 3.32Å; S179-L181 PolarHBondContact O-N 2.84Å; L181-E183 PolarHBondContact O-N 3.01Å; L181-V184 PolarHBondContact O-N 2.87Å; L181-Y185 WeakPolarHBondContact O-CB 3.49Å; L181-Y185 PolarHBondContact O-N 3.04Å; L181-I201 HydrophobicContact CD2-CD1 3.59Å; L181-I201 HydrophobicContact CG-CD1 3.8Å
182	Q	97.8	Very high	97.4	Very high	145 Å²	145	63.9 Å²	63.9	68%	0.678	34%	0.342	S	S	*	.	H	α-helix	trans	-63.8	-29.9	178.6	-74.5	173.2	-8.4	0	0	112.9	Q178 S179 S180	Q178-Q182 WeakPolarHBondContact O-CG 3.11Å; Q178-Q182 PolarHBondContact O-N 3.42Å; S179-Q182 WeakPolarHBondContact O-CB 3.44Å; S179-Q182 PolarHBondContact O-N 3.37Å; S179-Q182 VanDerWaalsContact O-N 3.17Å; S180-Q182 VanDerWaalsContact C-N 3.32Å; S180-Q182 PolarHBondContact O-N 3.1Å
183	E	97.5	Very high	97.5	Very high	168 Å²	168	65.6 Å²	65.6	79%	0.785	34%	0.344	S	S	*	.	H	α-helix	trans	-79.3	-38.3	179.5	-65.9	-178.8	179.7	0	0	112.7	S179 S180 L181	S179-E183 PolarHBondContact O-N 3.41Å; S180-E183 PolarHBondContact O-N 3.27Å; L181-E183 PolarHBondContact O-N 3.01Å
184	V	97.4	Very high	97.6	Very high	58 Å²	58	64.6 Å²	64.6	35%	0.352	34%	0.335	S	S	.	.	H	α-helix	trans	-97	-22.8	-172.2	-53.8	0	0	0	0	113.8	S180 L181 H186 M189 I201	S180-V184 WeakPolarHBondContact O-CG2 3.16Å; S180-V184 PolarHBondContact O-N 2.51Å; L181-V184 PolarHBondContact O-N 2.87Å; V184-H186 PolarHBondContact O-CD2 2.73Å; V184-M189 WeakPolarHBondContact O-CE 3.21Å; V184-I201 HydrophobicContact CG2-CD1 4.04Å
185	Y	98.2	Very high	97.7	Very high	46 Å²	46	64 Å²	64	18%	0.18	33%	0.33	C	S	.	.			trans	-72	136.5	-175.8	178.3	-96.2	0	0	0	112.1	I40 Q41 D166 A167 L181 K187	I40-Y185 HydrophobicContact CG2-CD2 4.05Å; I40-Y185 HydrophobicContact CG2-CE2 4.1Å; Q41-Y185 PolarHBondContact O-OH 2.89Å; D166-Y185 HydrophobicContact CB-CE1 3.72Å; D166-Y185 HydrophobicContact CB-CE2 4.3Å; D166-Y185 WeakPolarHBondContact CB-OH 3.2Å; A167-Y185 HydrophobicContact CB-CD2 4.03Å; A167-Y185 HydrophobicContact CB-CE2 4.45Å; A167-Y185 HydrophobicContact CB-CG 4.4Å; L181-Y185 WeakPolarHBondContact O-CB 3.49Å; L181-Y185 PolarHBondContact O-N 3.04Å; Y185-K187 HydrophobicContact CE1-CD 4.48Å
186	H	97.8	Very high	97.8	Very high	80 Å²	80	62 Å²	62	37%	0.37	32%	0.32	S	S	.	.			trans	-148.1	152.5	165.4	57.4	90.7	0	0	0	110.4	V184 S188 M189	V184-H186 PolarHBondContact O-CD2 2.73Å; H186-S188 PolarHBondContact ND1-OG 3.2Å; H186-S188 PolarHBondContact O-N 3.36Å; H186-S188 VanDerWaalsContact O-N 3.08Å; H186-M189 VanDerWaalsContact CE1-CA 3.44Å; H186-M189 WeakPolarHBondContact CE1-CA 3.48Å; H186-M189 PolarHBondContact CE1-N 3.16Å; H186-M189 PolarHBondContact ND1-N 3.1Å; H186-M189 VanDerWaalsContact O-CB 3.25Å; H186-M189 WeakPolarHBondContact O-CB 3.45Å; H186-M189 PolarHBondContact O-N 3.47Å
187	K	96.3	Very high	97.8	Very high	127 Å²	127	61.3 Å²	61.3	55%	0.552	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22	-174	-73.9	-76.7	177	178.1	0	115.1	D166 Y185	D166-K187 IonicContact OD1-NZ 3.16Å; D166-K187 PolarHBondContact OD1-NZ 3.45Å; D166-K187 WeakPolarHBondContact OD2-CE 3.1Å; D166-K187 IonicContact OD2-NZ 2.88Å; D166-K187 PolarHBondContact OD2-NZ 2.97Å; Y185-K187 HydrophobicContact CE1-CD 4.48Å
188	S	97	Very high	97.8	Very high	91 Å²	91	61.3 Å²	61.3	64%	0.636	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	11	-179.5	65.5	0	0	0	0	113.7	H186	H186-S188 PolarHBondContact ND1-OG 3.2Å; H186-S188 PolarHBondContact O-N 3.36Å; H186-S188 VanDerWaalsContact O-N 3.08Å
189	M	97.4	Very high	97.8	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.039	30%	0.299	C	S	.	.			trans	-66.5	133.6	177.9	-175.5	175.2	-88.5	0	0	109.9	T42 V184 H186 E193 A194	T42-M189 WeakPolarHBondContact CB-O 3.41Å; T42-M189 WeakPolarHBondContact CG2-O 3.12Å; V184-M189 WeakPolarHBondContact O-CE 3.21Å; H186-M189 VanDerWaalsContact CE1-CA 3.44Å; H186-M189 WeakPolarHBondContact CE1-CA 3.48Å; H186-M189 PolarHBondContact CE1-N 3.16Å; H186-M189 PolarHBondContact ND1-N 3.1Å; H186-M189 VanDerWaalsContact O-CB 3.25Å; H186-M189 WeakPolarHBondContact O-CB 3.45Å; H186-M189 PolarHBondContact O-N 3.47Å; M189-E193 HydrophobicContact CE-CB 4.38Å; M189-E193 HydrophobicContact CG-CB 3.44Å; M189-E193 VanDerWaalsContact CG-CB 3.44Å; M189-E193 HydrophobicContact SD-CB 4.19Å; M189-A194 HydrophobicContact CG-CB 4.35Å; M189-A194 VanDerWaalsContact SD-CA 3.57Å; M189-A194 HydrophobicContact SD-CB 3.96Å
190	T	98.3	Very high	97.8	Very high	45 Å²	45	58.5 Å²	58.5	28%	0.276	29%	0.292	S	S	.	.			trans	-73.5	159.5	172.9	60.6	0	0	0	0	110.9	E44 K192 E193 A194	E44-T190 WeakPolarHBondContact OE2-CA 3.42Å; E44-T190 WeakPolarHBondContact OE2-CB 3.41Å; T190-K192 PolarHBondContact O-N 3.07Å; T190-E193 PolarHBondContact N-OE2 3.31Å; T190-E193 PolarHBondContact O-N 3.33Å; T190-E193 VanDerWaalsContact O-N 3.16Å; T190-E193 WeakPolarHBondContact OG1-CB 3.43Å; T190-E193 VanDerWaalsContact OG1-CD 3.26Å; T190-E193 WeakPolarHBondContact OG1-CG 3.15Å; T190-E193 PolarHBondContact OG1-N 3.36Å; T190-E193 PolarHBondContact OG1-OE2 2.91Å; T190-A194 PolarHBondContact O-N 2.87Å
191	L	97.8	Very high	97.8	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-36.7	176.4	-177.6	60.4	0	0	0	111.2	E44 C47 A194 I195 T219 E221	E44-L191 HydrophobicContact CB-CB 3.93Å; E44-L191 PolarHBondContact OE2-N 3.47Å; C47-L191 HydrophobicContact CB-CD1 4.06Å; L191-A194 WeakPolarHBondContact O-CB 3.49Å; L191-A194 PolarHBondContact O-N 2.95Å; L191-I195 HydrophobicContact CG-CD1 4.16Å; L191-I195 WeakPolarHBondContact O-CD1 3.45Å; L191-I195 VanDerWaalsContact O-CG1 3.28Å; L191-I195 WeakPolarHBondContact O-CG1 3.43Å; L191-I195 PolarHBondContact O-N 2.63Å; L191-T219 HydrophobicContact CD1-CG2 4.25Å; L191-T219 HydrophobicContact CD2-CG2 4.23Å; L191-T219 HydrophobicContact CG-CG2 4.43Å; L191-E221 HydrophobicContact CD2-CB 3.99Å; L191-E221 HydrophobicContact CD2-CG 4.32Å; L191-E221 WeakPolarHBondContact CD2-OE2 3.47Å
192	K	97.2	Very high	97.8	Very high	161 Å²	161	57.4 Å²	57.4	70%	0.7	28%	0.284	S	S	*	.	H	α-helix	trans	-63.1	-43.6	175.9	-173.1	176.5	-179.2	177.2	0	112.4	T190 A194 K196	T190-K192 PolarHBondContact O-N 3.07Å; K192-A194 VanDerWaalsContact C-N 3.34Å; K192-K196 PolarHBondContact O-N 3.39Å
193	E	97.8	Very high	97.7	Very high	87 Å²	87	55.2 Å²	55.2	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-66.1	-37.6	175	-73.7	164.5	153.9	0	0	111.7	M189 T190 K196 S197	M189-E193 HydrophobicContact CE-CB 4.38Å; M189-E193 HydrophobicContact CG-CB 3.44Å; M189-E193 VanDerWaalsContact CG-CB 3.44Å; M189-E193 HydrophobicContact SD-CB 4.19Å; T190-E193 PolarHBondContact N-OE2 3.31Å; T190-E193 PolarHBondContact O-N 3.33Å; T190-E193 VanDerWaalsContact O-N 3.16Å; T190-E193 WeakPolarHBondContact OG1-CB 3.43Å; T190-E193 VanDerWaalsContact OG1-CD 3.26Å; T190-E193 WeakPolarHBondContact OG1-CG 3.15Å; T190-E193 PolarHBondContact OG1-N 3.36Å; T190-E193 PolarHBondContact OG1-OE2 2.91Å; E193-K196 PolarHBondContact O-N 3.44Å; E193-S197 VanDerWaalsContact O-CB 3.3Å; E193-S197 WeakPolarHBondContact O-CB 3.17Å; E193-S197 PolarHBondContact O-N 3Å; E193-S197 PolarHBondContact O-OG 3.25Å
194	A	98.4	Very high	97.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-45.5	175.6	0	0	0	0	0	112	I40 T42 C47 M189 T190 L191 K192 K196 S197 S198	I40-A194 HydrophobicContact CB-CB 4.16Å; I40-A194 HydrophobicContact CD1-CB 4.39Å; I40-A194 HydrophobicContact CG2-CB 3.77Å; T42-A194 HydrophobicContact CG2-CB 3.59Å; C47-A194 HydrophobicContact CB-CB 4.49Å; M189-A194 HydrophobicContact CG-CB 4.35Å; M189-A194 VanDerWaalsContact SD-CA 3.57Å; M189-A194 HydrophobicContact SD-CB 3.96Å; T190-A194 PolarHBondContact O-N 2.87Å; L191-A194 WeakPolarHBondContact O-CB 3.49Å; L191-A194 PolarHBondContact O-N 2.95Å; K192-A194 VanDerWaalsContact C-N 3.34Å; A194-K196 PolarHBondContact O-N 3.07Å; A194-S197 PolarHBondContact O-N 3.14Å; A194-S198 WeakPolarHBondContact O-CB 3.27Å; A194-S198 PolarHBondContact O-N 3.11Å; A194-S198 PolarHBondContact O-OG 3.35Å
195	I	98.4	Very high	97.6	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.056	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-47.6	173.8	-68	161	0	0	0	110.8	C47 L191 S197 S198 L199 L217 T219 Y229 V237	C47-I195 HydrophobicContact CB-CG1 4.29Å; L191-I195 HydrophobicContact CG-CD1 4.16Å; L191-I195 WeakPolarHBondContact O-CD1 3.45Å; L191-I195 VanDerWaalsContact O-CG1 3.28Å; L191-I195 WeakPolarHBondContact O-CG1 3.43Å; L191-I195 PolarHBondContact O-N 2.63Å; I195-S197 VanDerWaalsContact C-N 3.31Å; I195-S197 PolarHBondContact O-N 3.48Å; I195-S198 PolarHBondContact O-N 3.35Å; I195-S198 PolarHBondContact O-OG 3.28Å; I195-L199 HydrophobicContact CG2-CD1 4.1Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 WeakPolarHBondContact O-CG 3.5Å; I195-L199 PolarHBondContact O-N 3.4Å; I195-L199 VanDerWaalsContact O-N 3.14Å; I195-L217 HydrophobicContact CG2-CD1 4.41Å; I195-L217 HydrophobicContact CG2-CD2 3.65Å; I195-T219 HydrophobicContact CD1-CG2 3.85Å; I195-T219 HydrophobicContact CG1-CG2 4.2Å; I195-Y229 WeakPolarHBondContact CD1-OH 3.42Å; I195-V237 HydrophobicContact CG2-CG1 3.65Å
196	K	98.1	Very high	97.3	Very high	100 Å²	100	50.8 Å²	50.8	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-61.1	-43	178.6	-178.7	165.4	-176	159.7	0	111.5	K192 E193 A194 T200 D240 I241	K192-K196 PolarHBondContact O-N 3.39Å; E193-K196 PolarHBondContact O-N 3.44Å; A194-K196 PolarHBondContact O-N 3.07Å; K196-T200 WeakPolarHBondContact O-CB 3.2Å; K196-T200 PolarHBondContact O-N 2.92Å; K196-T200 PolarHBondContact O-OG1 3.34Å; K196-D240 WeakPolarHBondContact CE-O 3.26Å; K196-D240 PolarHBondContact NZ-O 3.26Å; K196-I241 HydrophobicContact CG-CD1 4.29Å; K196-I241 HydrophobicContact CG-CG1 4.19Å
197	S	98.1	Very high	96.9	Very high	22 Å²	22	55.7 Å²	55.7	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-67.9	-45.3	-178.8	-58.6	0	0	0	0	111.5	E193 A194 I195 L199 T200 I201	E193-S197 VanDerWaalsContact O-CB 3.3Å; E193-S197 WeakPolarHBondContact O-CB 3.17Å; E193-S197 PolarHBondContact O-N 3Å; E193-S197 PolarHBondContact O-OG 3.25Å; A194-S197 PolarHBondContact O-N 3.14Å; I195-S197 VanDerWaalsContact C-N 3.31Å; I195-S197 PolarHBondContact O-N 3.48Å; S197-L199 VanDerWaalsContact C-N 3.35Å; S197-L199 PolarHBondContact O-N 2.95Å; S197-T200 PolarHBondContact O-N 3.25Å; S197-I201 WeakPolarHBondContact O-CB 3.41Å; S197-I201 WeakPolarHBondContact O-CG1 3.38Å; S197-I201 PolarHBondContact O-N 2.67Å
198	S	98.4	Very high	96.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-44.8	178.5	68.1	0	0	0	0	111.8	A194 I195 I201 L202	A194-S198 WeakPolarHBondContact O-CB 3.27Å; A194-S198 PolarHBondContact O-N 3.11Å; A194-S198 PolarHBondContact O-OG 3.35Å; I195-S198 PolarHBondContact O-N 3.35Å; I195-S198 PolarHBondContact O-OG 3.28Å; S198-I201 PolarHBondContact O-N 3.26Å; S198-L202 WeakPolarHBondContact O-CG 3.4Å; S198-L202 PolarHBondContact O-N 2.92Å
199	L	98.2	Very high	96.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-35.6	178.8	-66.6	-178.2	0	0	0	112.7	A49 I195 S197 I201 L202 K203 L210 I215 L217 V237 I241	A49-L199 HydrophobicContact CB-CD2 4.35Å; I195-L199 HydrophobicContact CG2-CD1 4.1Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 WeakPolarHBondContact O-CG 3.5Å; I195-L199 PolarHBondContact O-N 3.4Å; I195-L199 VanDerWaalsContact O-N 3.14Å; S197-L199 VanDerWaalsContact C-N 3.35Å; S197-L199 PolarHBondContact O-N 2.95Å; L199-I201 VanDerWaalsContact C-N 3.33Å; L199-L202 HydrophobicContact CD2-CD1 4.35Å; L199-L202 PolarHBondContact O-N 3.39Å; L199-K203 VanDerWaalsContact O-CB 3.32Å; L199-K203 WeakPolarHBondContact O-CB 3.38Å; L199-K203 PolarHBondContact O-N 3.19Å; L199-L210 HydrophobicContact CD2-CD1 4.48Å; L199-L210 WeakPolarHBondContact O-CD1 3.47Å; L199-I215 HydrophobicContact CD2-CD1 3.49Å; L199-I215 VanDerWaalsContact CD2-CD1 3.49Å; L199-L217 HydrophobicContact CD1-CD2 4.46Å; L199-V237 HydrophobicContact CD1-CB 4.45Å; L199-V237 HydrophobicContact CD1-CG1 3.48Å; L199-V237 VanDerWaalsContact CD1-CG1 3.48Å; L199-I241 HydrophobicContact CB-CD1 3.45Å; L199-I241 VanDerWaalsContact CB-CD1 3.45Å; L199-I241 HydrophobicContact CD1-CD1 3.6Å; L199-I241 HydrophobicContact CG-CD1 4.16Å
200	T	97.9	Very high	96.3	Very high	45 Å²	45	59.5 Å²	59.5	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-43.4	172.8	-58.1	0	0	0	0	110.7	K196 S197 K203 Q204 I241	K196-T200 WeakPolarHBondContact O-CB 3.2Å; K196-T200 PolarHBondContact O-N 2.92Å; K196-T200 PolarHBondContact O-OG1 3.34Å; S197-T200 PolarHBondContact O-N 3.25Å; T200-K203 WeakPolarHBondContact O-CB 3.39Å; T200-K203 PolarHBondContact O-N 2.88Å; T200-Q204 WeakPolarHBondContact O-CG 3.19Å; T200-Q204 PolarHBondContact O-N 3.04Å; T200-I241 WeakPolarHBondContact OG1-CG2 3.21Å
201	I	98.3	Very high	96.2	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-45.6	177.9	-65.1	168.6	0	0	0	110.3	I38 A177 L181 V184 S197 S198 L199 K203 Q204 V205	I38-I201 HydrophobicContact CD1-CB 3.87Å; I38-I201 HydrophobicContact CD1-CG2 3.52Å; A177-I201 HydrophobicContact CB-CG2 3.67Å; L181-I201 HydrophobicContact CD2-CD1 3.59Å; L181-I201 HydrophobicContact CG-CD1 3.8Å; V184-I201 HydrophobicContact CG2-CD1 4.04Å; S197-I201 WeakPolarHBondContact O-CB 3.41Å; S197-I201 WeakPolarHBondContact O-CG1 3.38Å; S197-I201 PolarHBondContact O-N 2.67Å; S198-I201 PolarHBondContact O-N 3.26Å; L199-I201 VanDerWaalsContact C-N 3.33Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 3.45Å; I201-Q204 WeakPolarHBondContact O-CB 3.16Å; I201-Q204 PolarHBondContact O-N 3.25Å; I201-V205 WeakPolarHBondContact O-CG2 3.37Å; I201-V205 PolarHBondContact O-N 3.37Å; I201-V205 VanDerWaalsContact O-N 3.15Å
202	L	97.3	Very high	96.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55	-47.7	173.8	-77.9	-178.8	0	0	0	111.2	T36 I38 A49 S198 L199 Q204 V205 M206 L210	T36-L202 HydrophobicContact CG2-CD2 4.05Å; I38-L202 HydrophobicContact CD1-CD2 3.95Å; I38-L202 HydrophobicContact CD1-CG 3.95Å; I38-L202 HydrophobicContact CG1-CD2 4.23Å; A49-L202 HydrophobicContact CB-CD1 3.76Å; S198-L202 WeakPolarHBondContact O-CG 3.4Å; S198-L202 PolarHBondContact O-N 2.92Å; L199-L202 HydrophobicContact CD2-CD1 4.35Å; L199-L202 PolarHBondContact O-N 3.39Å; L202-Q204 PolarHBondContact O-N 3.28Å; L202-Q204 VanDerWaalsContact O-N 3.17Å; L202-V205 PolarHBondContact O-N 3.1Å; L202-V205 VanDerWaalsContact O-N 3.08Å; L202-M206 HydrophobicContact CB-SD 3.95Å; L202-M206 VanDerWaalsContact O-CB 3.29Å; L202-M206 WeakPolarHBondContact O-CB 3.4Å; L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 3.37Å; L202-L210 HydrophobicContact CB-CD1 4.04Å
203	K	96.6	Very high	95.9	Very high	99 Å²	99	55.2 Å²	55.2	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-56.7	-31.2	176.4	-178.2	178.4	177.4	177.7	0	113.6	L199 T200 I201 L210 I241	L199-K203 VanDerWaalsContact O-CB 3.32Å; L199-K203 WeakPolarHBondContact O-CB 3.38Å; L199-K203 PolarHBondContact O-N 3.19Å; T200-K203 WeakPolarHBondContact O-CB 3.39Å; T200-K203 PolarHBondContact O-N 2.88Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 3.45Å; K203-L210 HydrophobicContact CB-CB 4.25Å; K203-L210 HydrophobicContact CB-CD1 4.06Å; K203-L210 HydrophobicContact CG-CB 4.43Å; K203-I241 HydrophobicContact CD-CG2 4.28Å; K203-I241 PolarHBondContact NZ-O 2.69Å; K203-I241 PolarHBondContact NZ-OXT 3.46Å
204	Q	96.2	Very high	95.8	Very high	126 Å²	126	51.2 Å²	51.2	59%	0.589	25%	0.25	S	C	*	.	H	α-helix	trans	-77.5	-32.4	177.9	-71.1	170.8	-9.1	0	0	113	T200 I201 L202	T200-Q204 WeakPolarHBondContact O-CG 3.19Å; T200-Q204 PolarHBondContact O-N 3.04Å; I201-Q204 WeakPolarHBondContact O-CB 3.16Å; I201-Q204 PolarHBondContact O-N 3.25Å; L202-Q204 PolarHBondContact O-N 3.28Å; L202-Q204 VanDerWaalsContact O-N 3.17Å
205	V	95.6	Very high	95.7	Very high	35 Å²	35	51.2 Å²	51.2	21%	0.212	25%	0.25	C	C	.	.	H	α-helix	trans	-103.3	-14.5	-172	-56.5	0	0	0	0	114.3	T36 A173 A177 I201 L202	T36-V205 HydrophobicContact CG2-CG2 4.17Å; A173-V205 HydrophobicContact CB-CB 3.62Å; A173-V205 HydrophobicContact CB-CG1 4.35Å; A173-V205 HydrophobicContact CB-CG2 3.92Å; A177-V205 HydrophobicContact CB-CG1 4.3Å; I201-V205 WeakPolarHBondContact O-CG2 3.37Å; I201-V205 PolarHBondContact O-N 3.37Å; I201-V205 VanDerWaalsContact O-N 3.15Å; L202-V205 PolarHBondContact O-N 3.1Å; L202-V205 VanDerWaalsContact O-N 3.08Å
206	M	93.2	Very high	95.7	Very high	18 Å²	18	51.6 Å²	51.6	9%	0.089	25%	0.251	C	S	.	.			trans	-72.3	142.8	175.1	-75.1	169.8	66.7	0	0	111.5	E51 L202 L210 N214 I215	E51-M206 HydrophobicContact CB-CG 4.31Å; E51-M206 HydrophobicContact CB-SD 4.47Å; E51-M206 HydrophobicContact CG-CE 4.14Å; E51-M206 HydrophobicContact CG-CG 3.94Å; E51-M206 HydrophobicContact CG-SD 4.33Å; L202-M206 HydrophobicContact CB-SD 3.95Å; L202-M206 VanDerWaalsContact O-CB 3.29Å; L202-M206 WeakPolarHBondContact O-CB 3.4Å; L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 3.37Å; M206-L210 HydrophobicContact CE-CB 4.28Å; M206-L210 HydrophobicContact SD-CB 4.18Å; M206-L210 HydrophobicContact SD-CD1 3.99Å; M206-L210 HydrophobicContact SD-CG 4.25Å; M206-N214 HydrophobicContact CE-CB 4.49Å; M206-I215 HydrophobicContact CE-CG2 3.95Å; M206-I215 HydrophobicContact SD-CG2 3.96Å
207	E	89.1	Confident	95.7	Very high	183 Å²	183	46.9 Å²	46.9	86%	0.855	23%	0.231	S	C	*	.	S	Bend	trans	-73.3	-35.3	174.2	-63.1	-178.1	177.7	0	0	111.9
208	E	90.8	Very high	95.7	Very high	110 Å²	110	45.8 Å²	45.8	51%	0.514	22%	0.223	S	C	.	.	S	Bend	trans	-96.4	156.5	178	-65.5	-168.4	168.9	0	0	112.3	L210	E208-L210 PolarHBondContact O-N 3.1Å
209	K	93.1	Very high	95.7	Very high	185 Å²	185	45.8 Å²	45.8	80%	0.804	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-62.5	121.4	172.2	-174.8	-178.6	176.9	-175.7	0	110	N211 N214	K209-N211 PolarHBondContact O-N 2.89Å; K209-N211 PolarHBondContact O-ND2 3Å; K209-N211 VanDerWaalsContact O-ND2 3.11Å; K209-N214 PolarHBondContact O-ND2 3.08Å
210	L	94.8	Very high	95.7	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.063	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-55.1	131.4	174.9	-173.1	152.9	0	0	0	111.4	L199 L202 K203 M206 E208 I215 I238	L199-L210 HydrophobicContact CD2-CD1 4.48Å; L199-L210 WeakPolarHBondContact O-CD1 3.47Å; L202-L210 HydrophobicContact CB-CD1 4.04Å; K203-L210 HydrophobicContact CB-CB 4.25Å; K203-L210 HydrophobicContact CB-CD1 4.06Å; K203-L210 HydrophobicContact CG-CB 4.43Å; M206-L210 HydrophobicContact CE-CB 4.28Å; M206-L210 HydrophobicContact SD-CB 4.18Å; M206-L210 HydrophobicContact SD-CD1 3.99Å; M206-L210 HydrophobicContact SD-CG 4.25Å; E208-L210 PolarHBondContact O-N 3.1Å; L210-I215 HydrophobicContact CD1-CD1 4.4Å; L210-I215 HydrophobicContact CD1-CG2 4.05Å; L210-I215 HydrophobicContact CD2-CD1 4.04Å; L210-I215 HydrophobicContact CG-CD1 4.28Å; L210-I215 HydrophobicContact CG-CG2 3.91Å; L210-I238 HydrophobicContact CD2-CB 4.45Å; L210-I238 HydrophobicContact CD2-CD1 3.65Å; L210-I238 HydrophobicContact CD2-CG1 3.59Å; L210-I238 HydrophobicContact CD2-CG2 4.01Å
211	N	95	Very high	95.6	Very high	60 Å²	60	46.2 Å²	46.2	32%	0.321	22%	0.222	S	C	.	.			trans	-154.5	168.8	174.8	66.1	72.6	0	0	0	110.3	K209 T213 N214	K209-N211 PolarHBondContact O-N 2.89Å; K209-N211 PolarHBondContact O-ND2 3Å; K209-N211 VanDerWaalsContact O-ND2 3.11Å; N211-T213 PolarHBondContact O-N 2.69Å; N211-T213 WeakPolarHBondContact OD1-CA 3.14Å; N211-T213 WeakPolarHBondContact OD1-CB 3.41Å; N211-T213 PolarHBondContact OD1-N 2.86Å; N211-T213 PolarHBondContact OD1-OG1 2.8Å; N211-N214 PolarHBondContact N-OD1 2.79Å; N211-N214 PolarHBondContact ND2-ND2 2.88Å; N211-N214 VanDerWaalsContact ND2-ND2 3.16Å; N211-N214 PolarHBondContact O-N 2.74Å; N211-N214 PolarHBondContact O-OD1 3.09Å; N211-N214 PolarHBondContact OD1-N 3.38Å
212	A	94.9	Very high	95.4	Very high	12 Å²	12	50.1 Å²	50.1	10%	0.099	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-6.8	-174	0	0	0	0	0	115.6	K231 L234 E235 I238	A212-K231 HydrophobicContact CB-CG 3.87Å; A212-L234 HydrophobicContact CB-CB 3.75Å; A212-L234 HydrophobicContact CB-CD1 4.49Å; A212-E235 HydrophobicContact CB-CG 3.57Å; A212-I238 HydrophobicContact CB-CD1 4.12Å
213	T	94.3	Very high	94.7	Very high	51 Å²	51	54.3 Å²	54.3	31%	0.313	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-27.6	176.8	68.1	0	0	0	0	113.2	K52 I54 N211	K52-T213 VanDerWaalsContact CE-O 3.31Å; K52-T213 WeakPolarHBondContact CE-O 3.43Å; I54-T213 VanDerWaalsContact CD1-O 3.27Å; I54-T213 WeakPolarHBondContact CD1-O 3.49Å; N211-T213 PolarHBondContact O-N 2.69Å; N211-T213 WeakPolarHBondContact OD1-CA 3.14Å; N211-T213 WeakPolarHBondContact OD1-CB 3.41Å; N211-T213 PolarHBondContact OD1-N 2.86Å; N211-T213 PolarHBondContact OD1-OG1 2.8Å
214	N	95.1	Very high	93.9	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.011	29%	0.287	C	S	.	.	S	Bend	trans	-102	16	-176	70.6	2.1	0	0	0	114	K52 I54 M206 K209 N211	K52-N214 PolarHBondContact N-O 3.26Å; I54-N214 HydrophobicContact CD1-CB 4.29Å; M206-N214 HydrophobicContact CE-CB 4.49Å; K209-N214 PolarHBondContact O-ND2 3.08Å; N211-N214 PolarHBondContact N-OD1 2.79Å; N211-N214 PolarHBondContact ND2-ND2 2.88Å; N211-N214 VanDerWaalsContact ND2-ND2 3.16Å; N211-N214 PolarHBondContact O-N 2.74Å; N211-N214 PolarHBondContact O-OD1 3.09Å; N211-N214 PolarHBondContact OD1-N 3.38Å
215	I	96.9	Very high	93.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	163	171.1	64.8	166.9	0	0	0	111.7	V50 K52 L199 M206 L210 L234 I238	V50-I215 CarbonylContact O-C 3.59Å; V50-I215 WeakPolarHBondContact O-CA 3.24Å; K52-I215 WeakPolarHBondContact CE-O 3.44Å; L199-I215 HydrophobicContact CD2-CD1 3.49Å; L199-I215 VanDerWaalsContact CD2-CD1 3.49Å; M206-I215 HydrophobicContact CE-CG2 3.95Å; M206-I215 HydrophobicContact SD-CG2 3.96Å; L210-I215 HydrophobicContact CD1-CD1 4.4Å; L210-I215 HydrophobicContact CD1-CG2 4.05Å; L210-I215 HydrophobicContact CD2-CD1 4.04Å; L210-I215 HydrophobicContact CG-CD1 4.28Å; L210-I215 HydrophobicContact CG-CG2 3.91Å; I215-L234 HydrophobicContact CD1-CD2 3.89Å; I215-L234 HydrophobicContact CG1-CD1 4.28Å; I215-L234 HydrophobicContact CG1-CD2 4.32Å; I215-I238 HydrophobicContact CD1-CD1 4.07Å
216	E	97.8	Very high	93.6	Very high	19 Å²	19	50.5 Å²	50.5	9%	0.089	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147	163.4	-65.6	-174.6	160.5	0	0	109.4	A49 V50 K52 K66 I67	A49-E216 CarbonylContact C-O 3.55Å; A49-E216 WeakPolarHBondContact CA-O 3.38Å; V50-E216 PolarHBondContact N-O 3.23Å; V50-E216 PolarHBondContact O-N 3.28Å; K52-E216 HydrophobicContact CD-CG 3.65Å; K52-E216 WeakPolarHBondContact CD-OE1 3.22Å; K52-E216 HydrophobicContact CG-CG 4.02Å; K52-E216 IonicContact NZ-OE1 2.74Å; K52-E216 PolarHBondContact NZ-OE1 3.37Å; K66-E216 WeakPolarHBondContact CA-OE2 2.96Å; K66-E216 PolarHBondContact N-OE2 3.04Å; I67-E216 HydrophobicContact CD1-CB 3.8Å; I67-E216 HydrophobicContact CG1-CB 4.1Å; I67-E216 PolarHBondContact N-OE2 3.08Å
217	L	98.3	Very high	93.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.1	176.2	-179.7	69.8	0	0	0	108.3	C47 L48 A49 I195 L199 Y229 L234	C47-L217 VanDerWaalsContact SG-CD1 3.51Å; L48-L217 CarbonylContact O-C 3.58Å; L48-L217 WeakPolarHBondContact O-CA 3.31Å; A49-L217 HydrophobicContact CB-CD1 3.88Å; I195-L217 HydrophobicContact CG2-CD1 4.41Å; I195-L217 HydrophobicContact CG2-CD2 3.65Å; L199-L217 HydrophobicContact CD1-CD2 4.46Å; L217-Y229 HydrophobicContact CB-CD2 4.33Å; L217-Y229 HydrophobicContact CB-CG 4.19Å; L217-Y229 HydrophobicContact CD2-CD1 3.69Å; L217-Y229 HydrophobicContact CD2-CD2 3.94Å; L217-Y229 HydrophobicContact CD2-CE1 3.78Å; L217-Y229 HydrophobicContact CD2-CE2 4.02Å; L217-Y229 HydrophobicContact CD2-CG 3.79Å; L217-Y229 HydrophobicContact CG-CD1 4.48Å; L217-Y229 HydrophobicContact CG-CD2 3.92Å; L217-Y229 HydrophobicContact CG-CE2 4.22Å; L217-Y229 HydrophobicContact CG-CG 4.08Å; L217-Y229 WeakPolarHBondContact O-CB 3.31Å; L217-Y229 PolarHBondContact O-N 3.17Å; L217-L234 HydrophobicContact CB-CD2 3.54Å; L217-L234 HydrophobicContact CD2-CD2 4.09Å; L217-L234 HydrophobicContact CG-CD2 4.47Å
218	A	98.6	Very high	94.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.2	169.6	0	0	0	0	0	110.8	L48 I67 F226 H227 M228	L48-A218 PolarHBondContact N-O 3.19Å; L48-A218 PolarHBondContact O-N 3.44Å; I67-A218 HydrophobicContact CD1-CB 4.12Å; I67-A218 HydrophobicContact CG2-CB 3.76Å; A218-F226 HydrophobicContact CB-CE2 3.88Å; A218-F226 HydrophobicContact CB-CZ 4.14Å; A218-H227 CarbonylContact C-O 3.58Å; A218-H227 WeakPolarHBondContact CA-O 3.41Å; A218-M228 HydrophobicContact CB-CE 4.35Å; A218-M228 HydrophobicContact CB-SD 4.13Å
219	T	98.6	Very high	94.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.1	172.7	55.3	0	0	0	0	110.9	V46 L191 I195 H227 Y229	V46-T219 CarbonylContact O-C 3.58Å; V46-T219 VanDerWaalsContact O-CA 3.26Å; V46-T219 WeakPolarHBondContact O-CA 3.02Å; L191-T219 HydrophobicContact CD1-CG2 4.25Å; L191-T219 HydrophobicContact CD2-CG2 4.23Å; L191-T219 HydrophobicContact CG-CG2 4.43Å; I195-T219 HydrophobicContact CD1-CG2 3.85Å; I195-T219 HydrophobicContact CG1-CG2 4.2Å; T219-H227 PolarHBondContact N-O 3.44Å; T219-H227 PolarHBondContact O-N 2.88Å; T219-Y229 HydrophobicContact CG2-CE2 3.68Å
220	I	98.3	Very high	94.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	110	171.4	-53.8	87.6	0	0	0	107.1	G45 V46 L48 L146 F226	G45-I220 CarbonylContact C-O 3.59Å; G45-I220 WeakPolarHBondContact CA-O 3.29Å; V46-I220 HydrophobicContact CB-CD1 4.42Å; V46-I220 PolarHBondContact N-O 2.92Å; V46-I220 PolarHBondContact O-N 3.17Å; L48-I220 HydrophobicContact CD1-CD1 4.26Å; L146-I220 HydrophobicContact CB-CG2 3.92Å; I220-F226 HydrophobicContact CD1-CD2 4.35Å; I220-F226 HydrophobicContact CG1-CD2 4.12Å
221	E	95.8	Very high	94.7	Very high	53 Å²	53	40.2 Å²	40.2	25%	0.248	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	160.7	-176	64.3	-178	150.7	0	0	112.3	E44 L191 G223 K224	E44-E221 WeakPolarHBondContact O-CB 3.43Å; L191-E221 HydrophobicContact CD2-CB 3.99Å; L191-E221 HydrophobicContact CD2-CG 4.32Å; L191-E221 WeakPolarHBondContact CD2-OE2 3.47Å; E221-G223 PolarHBondContact O-N 3.27Å; E221-K224 CarbonylContact C-O 3.54Å; E221-K224 HydrophobicContact CG-CB 3.89Å; E221-K224 VanDerWaalsContact CG-O 3.29Å; E221-K224 WeakPolarHBondContact CG-O 3.47Å; E221-K224 PolarHBondContact N-O 2.75Å; E221-K224 CarbonylContact O-C 3.11Å; E221-K224 PolarHBondContact O-N 3.48Å
222	P	92.6	Very high	94.8	Very high	86 Å²	86	43 Å²	43	56%	0.558	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	132	176.7	-24.4	34.4	0	0	0	112.3	E44 L146 K224	E44-P222 WeakPolarHBondContact O-CD 3.41Å; L146-P222 HydrophobicContact CD1-CG 4.43Å; L146-P222 HydrophobicContact CD2-CB 4.24Å; L146-P222 HydrophobicContact CD2-CG 3.89Å; P222-K224 PolarHBondContact O-N 2.82Å; P222-K224 VanDerWaalsContact O-N 3.12Å
223	G	83.6	Confident	94.9	Very high	89 Å²	89	45.4 Å²	45.4	92%	0.918	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-22.9	177.9	0	0	0	0	0	115.1	E221	E221-G223 PolarHBondContact O-N 3.27Å
224	K	79.1	Confident	95	Very high	80 Å²	80	43.3 Å²	43.3	35%	0.348	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	84.6	166.8	-159.7	-175	-168.9	-164.7	0	106.9	E221 P222 H227 E233	E221-K224 CarbonylContact C-O 3.54Å; E221-K224 HydrophobicContact CG-CB 3.89Å; E221-K224 VanDerWaalsContact CG-O 3.29Å; E221-K224 WeakPolarHBondContact CG-O 3.47Å; E221-K224 PolarHBondContact N-O 2.75Å; E221-K224 CarbonylContact O-C 3.11Å; E221-K224 PolarHBondContact O-N 3.48Å; P222-K224 PolarHBondContact O-N 2.82Å; P222-K224 VanDerWaalsContact O-N 3.12Å; K224-H227 HydrophobicContact CD-CB 4.17Å; K224-H227 WeakPolarHBondContact CE-ND1 3.41Å; K224-H227 HydrophobicContact CG-CB 4.16Å; K224-H227 PolarHBondContact NZ-CD2 3.22Å; K224-H227 PolarHBondContact NZ-CE1 3.34Å; K224-H227 VanDerWaalsContact NZ-CE1 3.27Å; K224-H227 PolarHBondContact NZ-ND1 3.14Å; K224-H227 PolarHBondContact NZ-NE2 3.39Å; K224-H227 VanDerWaalsContact NZ-NE2 3.11Å; K224-E233 IonicContact NZ-OE1 3.7Å
225	T	89.2	Confident	95	Very high	71 Å²	71	47.2 Å²	47.2	44%	0.436	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	-168.5	176.5	67.1	0	0	0	0	109.9	T72 H227	T72-T225 WeakPolarHBondContact O-CB 3.5Å; T72-T225 PolarHBondContact O-OG1 3.32Å; T225-H227 PolarHBondContact O-N 3.18Å
226	F	97.3	Very high	95	Very high	28 Å²	28	51.7 Å²	51.7	12%	0.123	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-38.3	110.3	-173	-179.9	-92.5	0	0	0	113.5	I67 E69 T72 A218 I220 M228	I67-F226 HydrophobicContact CG2-CE2 4.03Å; I67-F226 HydrophobicContact CG2-CZ 4.13Å; E69-F226 HydrophobicContact CB-CD1 3.69Å; E69-F226 HydrophobicContact CB-CE1 3.65Å; E69-F226 HydrophobicContact CB-CG 4.23Å; E69-F226 HydrophobicContact CB-CZ 4.13Å; E69-F226 HydrophobicContact CG-CB 4.28Å; E69-F226 HydrophobicContact CG-CD1 3.68Å; E69-F226 HydrophobicContact CG-CE1 4.18Å; E69-F226 HydrophobicContact CG-CG 3.95Å; T72-F226 VanDerWaalsContact O-CB 3.31Å; T72-F226 WeakPolarHBondContact O-CB 3.48Å; T72-F226 PolarHBondContact O-N 2.93Å; A218-F226 HydrophobicContact CB-CE2 3.88Å; A218-F226 HydrophobicContact CB-CZ 4.14Å; I220-F226 HydrophobicContact CD1-CD2 4.35Å; I220-F226 HydrophobicContact CG1-CD2 4.12Å; F226-M228 HydrophobicContact CE1-CB 4.26Å; F226-M228 HydrophobicContact CE1-CE 4.34Å; F226-M228 HydrophobicContact CZ-CE 3.76Å
227	H	97.8	Very high	94.8	Very high	36 Å²	36	52.4 Å²	52.4	17%	0.167	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.5	-176.5	178.9	67.9	0	0	0	109.1	A218 T219 K224 T225 Y229 E233	A218-H227 CarbonylContact C-O 3.58Å; A218-H227 WeakPolarHBondContact CA-O 3.41Å; T219-H227 PolarHBondContact N-O 3.44Å; T219-H227 PolarHBondContact O-N 2.88Å; K224-H227 HydrophobicContact CD-CB 4.17Å; K224-H227 WeakPolarHBondContact CE-ND1 3.41Å; K224-H227 HydrophobicContact CG-CB 4.16Å; K224-H227 PolarHBondContact NZ-CD2 3.22Å; K224-H227 PolarHBondContact NZ-CE1 3.34Å; K224-H227 VanDerWaalsContact NZ-CE1 3.27Å; K224-H227 PolarHBondContact NZ-ND1 3.14Å; K224-H227 PolarHBondContact NZ-NE2 3.39Å; K224-H227 VanDerWaalsContact NZ-NE2 3.11Å; T225-H227 PolarHBondContact O-N 3.18Å; H227-Y229 AromaticContact CD2-CD2 3.64Å; H227-Y229 AromaticContact CD2-CE2 3.66Å; H227-E233 IonicContact CE1-OE1 3.14Å; H227-E233 IonicContact CE1-OE2 3.93Å; H227-E233 PolarHBondContact CE1-OE2 2.98Å; H227-E233 IonicContact NE2-OE1 3.35Å; H227-E233 PolarHBondContact NE2-OE1 3.47Å; H227-E233 VanDerWaalsContact NE2-OE1 3.16Å; H227-E233 IonicContact NE2-OE2 3.61Å; H227-E233 PolarHBondContact NE2-OE2 2.96Å
228	M	97.5	Very high	94.7	Very high	68 Å²	68	53.8 Å²	53.8	34%	0.335	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.6	169.6	-172.9	63.2	74.1	0	0	109.3	I67 A218 F226 S230	I67-M228 HydrophobicContact CB-CE 3.62Å; I67-M228 HydrophobicContact CG2-CE 3.82Å; I67-M228 WeakPolarHBondContact O-CE 3.48Å; A218-M228 HydrophobicContact CB-CE 4.35Å; A218-M228 HydrophobicContact CB-SD 4.13Å; F226-M228 HydrophobicContact CE1-CB 4.26Å; F226-M228 HydrophobicContact CE1-CE 4.34Å; F226-M228 HydrophobicContact CZ-CE 3.76Å; M228-S230 PolarHBondContact O-N 2.95Å
229	Y	97.2	Very high	94.4	Very high	40 Å²	40	60.7 Å²	60.7	16%	0.157	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-68.8	134.3	179	-83.1	-123.1	0	0	0	110.9	I195 L217 T219 H227 E233 V237	I195-Y229 WeakPolarHBondContact CD1-OH 3.42Å; L217-Y229 HydrophobicContact CB-CD2 4.33Å; L217-Y229 HydrophobicContact CB-CG 4.19Å; L217-Y229 HydrophobicContact CD2-CD1 3.69Å; L217-Y229 HydrophobicContact CD2-CD2 3.94Å; L217-Y229 HydrophobicContact CD2-CE1 3.78Å; L217-Y229 HydrophobicContact CD2-CE2 4.02Å; L217-Y229 HydrophobicContact CD2-CG 3.79Å; L217-Y229 HydrophobicContact CG-CD1 4.48Å; L217-Y229 HydrophobicContact CG-CD2 3.92Å; L217-Y229 HydrophobicContact CG-CE2 4.22Å; L217-Y229 HydrophobicContact CG-CG 4.08Å; L217-Y229 WeakPolarHBondContact O-CB 3.31Å; L217-Y229 PolarHBondContact O-N 3.17Å; T219-Y229 HydrophobicContact CG2-CE2 3.68Å; H227-Y229 AromaticContact CD2-CD2 3.64Å; H227-Y229 AromaticContact CD2-CE2 3.66Å; Y229-E233 VanDerWaalsContact CA-OE2 3.3Å; Y229-E233 WeakPolarHBondContact CA-OE2 3.38Å; Y229-E233 HydrophobicContact CD1-CB 3.6Å; Y229-E233 HydrophobicContact CE1-CB 4.28Å; Y229-E233 HydrophobicContact CG-CB 4.27Å; Y229-V237 HydrophobicContact CD1-CG2 4.43Å; Y229-V237 HydrophobicContact CE1-CG2 3.92Å
230	S	96.2	Very high	93.6	Very high	44 Å²	44	65.9 Å²	65.9	31%	0.308	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-70.6	167.1	169.4	92.5	0	0	0	0	111	M228 E232 E233 L234	M228-S230 PolarHBondContact O-N 2.95Å; S230-E232 VanDerWaalsContact C-N 3.25Å; S230-E232 WeakPolarHBondContact CB-OE2 3.35Å; S230-E232 PolarHBondContact O-N 3.39Å; S230-E232 PolarHBondContact OG-N 2.93Å; S230-E232 PolarHBondContact OG-OE2 2.72Å; S230-E233 PolarHBondContact N-OE2 3.1Å; S230-E233 PolarHBondContact O-N 3.05Å; S230-E233 PolarHBondContact OG-N 3.01Å; S230-L234 WeakPolarHBondContact O-CB 3.44Å; S230-L234 WeakPolarHBondContact O-CG 3.49Å; S230-L234 PolarHBondContact O-N 3.25Å
231	K	94.9	Very high	92.8	Very high	105 Å²	105	68.3 Å²	68.3	46%	0.457	37%	0.365	S	S	.	.	H	α-helix	trans	-58.5	-41	174.6	-173.8	-176.7	174.9	-171.8	0	111.5	A212 L234 E235	A212-K231 HydrophobicContact CB-CG 3.87Å; K231-L234 PolarHBondContact O-N 2.7Å; K231-E235 VanDerWaalsContact CE-OE1 3.25Å; K231-E235 WeakPolarHBondContact CE-OE1 2.93Å; K231-E235 WeakPolarHBondContact O-CG 3.34Å; K231-E235 PolarHBondContact O-N 3.09Å
232	E	96.5	Very high	92.7	Very high	119 Å²	119	69.1 Å²	69.1	56%	0.556	37%	0.371	S	S	*	.	H	α-helix	trans	-66.1	-44.5	179.6	-58.5	72	-154.9	0	0	111.3	S230 L234 E235 D236	S230-E232 VanDerWaalsContact C-N 3.25Å; S230-E232 WeakPolarHBondContact CB-OE2 3.35Å; S230-E232 PolarHBondContact O-N 3.39Å; S230-E232 PolarHBondContact OG-N 2.93Å; S230-E232 PolarHBondContact OG-OE2 2.72Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.2Å; E232-E235 PolarHBondContact O-N 3.22Å; E232-D236 PolarHBondContact O-N 3.26Å
233	E	96.6	Very high	92.7	Very high	61 Å²	61	68.2 Å²	68.2	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-41.9	175.7	-66.1	179	128.7	0	0	111.1	K224 H227 Y229 S230 D236 V237	K224-E233 IonicContact NZ-OE1 3.7Å; H227-E233 IonicContact CE1-OE1 3.14Å; H227-E233 IonicContact CE1-OE2 3.93Å; H227-E233 PolarHBondContact CE1-OE2 2.98Å; H227-E233 IonicContact NE2-OE1 3.35Å; H227-E233 PolarHBondContact NE2-OE1 3.47Å; H227-E233 VanDerWaalsContact NE2-OE1 3.16Å; H227-E233 IonicContact NE2-OE2 3.61Å; H227-E233 PolarHBondContact NE2-OE2 2.96Å; Y229-E233 VanDerWaalsContact CA-OE2 3.3Å; Y229-E233 WeakPolarHBondContact CA-OE2 3.38Å; Y229-E233 HydrophobicContact CD1-CB 3.6Å; Y229-E233 HydrophobicContact CE1-CB 4.28Å; Y229-E233 HydrophobicContact CG-CB 4.27Å; S230-E233 PolarHBondContact N-OE2 3.1Å; S230-E233 PolarHBondContact O-N 3.05Å; S230-E233 PolarHBondContact OG-N 3.01Å; E233-D236 PolarHBondContact O-N 2.92Å; E233-V237 WeakPolarHBondContact O-CG2 3.46Å; E233-V237 PolarHBondContact O-N 3.43Å
234	L	96.7	Very high	93.2	Very high	7 Å²	7	67 Å²	67	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-46.5	173.8	-77.1	175.4	0	0	0	111.7	A212 I215 L217 S230 K231 E232 D236 V237 I238	A212-L234 HydrophobicContact CB-CB 3.75Å; A212-L234 HydrophobicContact CB-CD1 4.49Å; I215-L234 HydrophobicContact CD1-CD2 3.89Å; I215-L234 HydrophobicContact CG1-CD1 4.28Å; I215-L234 HydrophobicContact CG1-CD2 4.32Å; L217-L234 HydrophobicContact CB-CD2 3.54Å; L217-L234 HydrophobicContact CD2-CD2 4.09Å; L217-L234 HydrophobicContact CG-CD2 4.47Å; S230-L234 WeakPolarHBondContact O-CB 3.44Å; S230-L234 WeakPolarHBondContact O-CG 3.49Å; S230-L234 PolarHBondContact O-N 3.25Å; K231-L234 PolarHBondContact O-N 2.7Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.2Å; L234-D236 PolarHBondContact O-N 3.4Å; L234-V237 PolarHBondContact O-N 3.39Å; L234-I238 HydrophobicContact CB-CD1 4.38Å; L234-I238 WeakPolarHBondContact O-CB 3.3Å; L234-I238 WeakPolarHBondContact O-CD1 3.49Å; L234-I238 WeakPolarHBondContact O-CG1 3.39Å; L234-I238 PolarHBondContact O-N 3.23Å
235	E	96.3	Very high	94	Very high	85 Å²	85	66.2 Å²	66.2	40%	0.397	33%	0.329	S	S	.	.	H	α-helix	trans	-58.6	-38.1	178	-76.8	178.6	-177.6	0	0	112	A212 K231 E232 K239	A212-E235 HydrophobicContact CB-CG 3.57Å; K231-E235 VanDerWaalsContact CE-OE1 3.25Å; K231-E235 WeakPolarHBondContact CE-OE1 2.93Å; K231-E235 WeakPolarHBondContact O-CG 3.34Å; K231-E235 PolarHBondContact O-N 3.09Å; E232-E235 PolarHBondContact O-N 3.22Å; E235-K239 WeakPolarHBondContact O-CE 3.27Å; E235-K239 VanDerWaalsContact O-CG 3.32Å; E235-K239 WeakPolarHBondContact O-CG 3.4Å; E235-K239 PolarHBondContact O-N 3.44Å
236	D	95.8	Very high	94.3	Very high	95 Å²	95	65.9 Å²	65.9	51%	0.508	32%	0.322	S	S	.	.	H	α-helix	trans	-68.1	-44.6	176.7	-77.1	-18.6	0	0	0	112.4	E232 E233 L234 I238 K239	E232-D236 PolarHBondContact O-N 3.26Å; E233-D236 PolarHBondContact O-N 2.92Å; L234-D236 PolarHBondContact O-N 3.4Å; D236-I238 VanDerWaalsContact C-N 3.35Å; D236-I238 PolarHBondContact O-N 2.72Å; D236-K239 PolarHBondContact O-N 2.93Å; D236-K239 IonicContact OD1-NZ 3.98Å; D236-K239 PolarHBondContact OD1-NZ 3.42Å
237	V	95	Very high	94.1	Very high	33 Å²	33	68.5 Å²	68.5	20%	0.2	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-39	177.6	177	0	0	0	0	111.5	I195 L199 Y229 E233 L234 K239 D240 I241	I195-V237 HydrophobicContact CG2-CG1 3.65Å; L199-V237 HydrophobicContact CD1-CB 4.45Å; L199-V237 HydrophobicContact CD1-CG1 3.48Å; L199-V237 VanDerWaalsContact CD1-CG1 3.48Å; Y229-V237 HydrophobicContact CD1-CG2 4.43Å; Y229-V237 HydrophobicContact CE1-CG2 3.92Å; E233-V237 WeakPolarHBondContact O-CG2 3.46Å; E233-V237 PolarHBondContact O-N 3.43Å; L234-V237 PolarHBondContact O-N 3.39Å; V237-K239 VanDerWaalsContact C-N 3.29Å; V237-K239 PolarHBondContact O-N 3.18Å; V237-D240 PolarHBondContact O-N 3.3Å; V237-I241 HydrophobicContact CG1-CD1 4.12Å; V237-I241 WeakPolarHBondContact O-CG1 3.17Å
238	I	95	Very high	93.9	Very high	29 Å²	29	70.8 Å²	70.8	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-29.3	-178.2	-69.8	165	0	0	0	112.2	L210 A212 I215 L234 D236 D240 I241	L210-I238 HydrophobicContact CD2-CB 4.45Å; L210-I238 HydrophobicContact CD2-CD1 3.65Å; L210-I238 HydrophobicContact CD2-CG1 3.59Å; L210-I238 HydrophobicContact CD2-CG2 4.01Å; A212-I238 HydrophobicContact CB-CD1 4.12Å; I215-I238 HydrophobicContact CD1-CD1 4.07Å; L234-I238 HydrophobicContact CB-CD1 4.38Å; L234-I238 WeakPolarHBondContact O-CB 3.3Å; L234-I238 WeakPolarHBondContact O-CD1 3.49Å; L234-I238 WeakPolarHBondContact O-CG1 3.39Å; L234-I238 PolarHBondContact O-N 3.23Å; D236-I238 VanDerWaalsContact C-N 3.35Å; D236-I238 PolarHBondContact O-N 2.72Å; I238-D240 PolarHBondContact O-N 2.77Å; I238-D240 VanDerWaalsContact O-N 3.14Å; I238-I241 PolarHBondContact O-N 3.3Å; I238-I241 VanDerWaalsContact O-N 3.13Å
239	K	91.6	Very high	93.6	Very high	145 Å²	145	71 Å²	71	63%	0.63	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.2	178.3	-74.1	162.5	-164.7	165.1	0	112.7	E235 D236 V237 I241	E235-K239 WeakPolarHBondContact O-CE 3.27Å; E235-K239 VanDerWaalsContact O-CG 3.32Å; E235-K239 WeakPolarHBondContact O-CG 3.4Å; E235-K239 PolarHBondContact O-N 3.44Å; D236-K239 PolarHBondContact O-N 2.93Å; D236-K239 IonicContact OD1-NZ 3.98Å; D236-K239 PolarHBondContact OD1-NZ 3.42Å; V237-K239 VanDerWaalsContact C-N 3.29Å; V237-K239 PolarHBondContact O-N 3.18Å; K239-I241 VanDerWaalsContact C-N 3.34Å
240	D	82.4	Confident	93.3	Very high	109 Å²	109	73.6 Å²	73.6	58%	0.583	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	9.5	-176.8	-68.6	-23.7	0	0	0	113.8	K196 V237 I238	K196-D240 WeakPolarHBondContact CE-O 3.26Å; K196-D240 PolarHBondContact NZ-O 3.26Å; V237-D240 PolarHBondContact O-N 3.3Å; I238-D240 PolarHBondContact O-N 2.77Å; I238-D240 VanDerWaalsContact O-N 3.14Å
241	I	82.4	Confident	93	Very high	51 Å²	51	76.3 Å²	76.3	26%	0.262	37%	0.369	S	S	.	.			trans	-131.8	0	-169.3	-51.9	-174.5	0	0	0	113.5	K196 L199 T200 K203 V237 I238 K239	K196-I241 HydrophobicContact CG-CD1 4.29Å; K196-I241 HydrophobicContact CG-CG1 4.19Å; L199-I241 HydrophobicContact CB-CD1 3.45Å; L199-I241 VanDerWaalsContact CB-CD1 3.45Å; L199-I241 HydrophobicContact CD1-CD1 3.6Å; L199-I241 HydrophobicContact CG-CD1 4.16Å; T200-I241 WeakPolarHBondContact OG1-CG2 3.21Å; K203-I241 HydrophobicContact CD-CG2 4.28Å; K203-I241 PolarHBondContact NZ-O 2.69Å; K203-I241 PolarHBondContact NZ-OXT 3.46Å; V237-I241 HydrophobicContact CG1-CD1 4.12Å; V237-I241 WeakPolarHBondContact O-CG1 3.17Å; I238-I241 PolarHBondContact O-N 3.3Å; I238-I241 VanDerWaalsContact O-N 3.13Å; K239-I241 VanDerWaalsContact C-N 3.34Å

Retrieved 241 of 241 residues in 604.5 ms (Link to these results)

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