A0A096NVZ7_PAPAN Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. Non-catalytic 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 A0A096NVZ7, Species PAPAN (Papio anubis, Olive baboon), Gene PSMB1, 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	35.6	Very low	35.8	Very low	248 Å²	248	153.3 Å²	153.3	100%	1.222	86%	0.863	S	S	*	*				0	128.7	0	-91.1	179.4	-165.6	0	0	108.3
2	L	36.5	Very low	36	Very low	176 Å²	176	145.3 Å²	145.3	92%	0.921	84%	0.841	S	S	*	*			trans	-55.6	147.1	-178.4	-67.1	129.4	0	0	0	113.4
3	S	32.2	Very low	36.5	Very low	110 Å²	110	153.2 Å²	153.2	77%	0.769	85%	0.848	S	S	*	*				-172.6	134.6	104.6	65.3	0	0	0	0	111.2
4	S	39.7	Very low	36.7	Very low	114 Å²	114	153.6 Å²	153.6	80%	0.797	85%	0.848	S	S	*	*			trans	-82.8	144.8	172.6	59.4	0	0	0	0	110.5
5	I	37.9	Very low	37.3	Very low	168 Å²	168	154.5 Å²	154.5	86%	0.862	85%	0.85	S	S	*	*			trans	-120.9	119.2	161.1	-68	176.5	0	0	0	108.2
6	A	34.3	Very low	37.6	Very low	77 Å²	77	149.2 Å²	149.2	64%	0.636	84%	0.841	S	S	*	*			trans	-72.9	142.7	-173.6	0	0	0	0	0	112.4
7	M	36	Very low	38.1	Very low	189 Å²	189	151.2 Å²	151.2	93%	0.931	85%	0.845	S	S	*	*			trans	-65.4	132.7	165.1	-68.3	178.1	179.8	0	0	110.4
8	Y	32.5	Very low	38.7	Very low	224 Å²	224	151.4 Å²	151.4	88%	0.878	84%	0.838	S	S	*	*			trans	-122.8	114	158.7	-95.7	-85.4	0	0	0	108.5
9	S	34.9	Very low	39.3	Very low	114 Å²	114	148.3 Å²	148.3	80%	0.797	83%	0.826	S	S	*	*			trans	-82.8	127.5	172.5	66.3	0	0	0	0	110.3
10	T	36	Very low	39.9	Very low	133 Å²	133	150.3 Å²	150.3	82%	0.816	83%	0.828	S	S	*	*			trans	-105.2	127.4	159.4	40.8	0	0	0	0	109	G12	T10-G12 PolarHBondContact O-N 3.28Å; T10-G12 VanDerWaalsContact O-N 3.14Å
11	P	38.5	Very low	40.6	Very low	133 Å²	133	153.7 Å²	153.7	86%	0.864	83%	0.828	S	S	*	*			trans	-83.4	91.2	177.1	31.8	-28.9	0	0	0	109.6
12	G	37.7	Very low	41.7	Very low	58 Å²	58	146.2 Å²	146.2	60%	0.598	81%	0.806	S	S	*	*			trans	-85	134.2	162.1	0	0	0	0	0	109.2	T10 D14	T10-G12 PolarHBondContact O-N 3.28Å; T10-G12 VanDerWaalsContact O-N 3.14Å; G12-D14 VanDerWaalsContact C-N 3.35Å; G12-D14 PolarHBondContact O-N 2.58Å
13	R	43.2	Very low	42.7	Very low	248 Å²	248	143.1 Å²	143.1	94%	0.936	81%	0.806	S	S	*	*			trans	-59.8	96.2	169.1	-84.7	177	174.7	165	-2.3	109.1	L15	R13-L15 VanDerWaalsContact C-N 3.33Å; R13-L15 PolarHBondContact O-N 3.5Å
14	D	39.2	Very low	44.6	Very low	158 Å²	158	139.8 Å²	139.8	85%	0.845	79%	0.789	S	S	*	*			trans	-69.8	97.2	160.2	-80.1	-22.6	0	0	0	107.3	G12 G16	G12-D14 VanDerWaalsContact C-N 3.35Å; G12-D14 PolarHBondContact O-N 2.58Å; D14-G16 PolarHBondContact O-N 3.36Å
15	L	45.4	Very low	46	Very low	168 Å²	168	141.1 Å²	141.1	88%	0.88	80%	0.795	S	S	*	*			trans	-63.1	88.7	154.7	-78.7	163.4	0	0	0	105.9	R13 M17	R13-L15 VanDerWaalsContact C-N 3.33Å; R13-L15 PolarHBondContact O-N 3.5Å; L15-M17 PolarHBondContact O-N 3.34Å
16	G	42.4	Very low	47.6	Very low	69 Å²	69	140.3 Å²	140.3	71%	0.711	79%	0.791	S	S	*	*			trans	-61.1	83.8	172.7	0	0	0	0	0	110	D14 E18	D14-G16 PolarHBondContact O-N 3.36Å; G16-E18 PolarHBondContact O-N 2.62Å; G16-E18 VanDerWaalsContact O-N 3.09Å
17	M	46.3	Very low	49.4	Very low	183 Å²	183	144.7 Å²	144.7	90%	0.901	80%	0.799	S	S	*	*			trans	-71.1	89.2	146.8	-94.4	-156.2	177.8	0	0	105.9	L15 P19	L15-M17 PolarHBondContact O-N 3.34Å; M17-P19 WeakPolarHBondContact O-CD 3.13Å; M17-P19 VanDerWaalsContact O-N 3.16Å
18	E	48.3	Very low	51.4	Low	155 Å²	155	143.4 Å²	143.4	72%	0.724	80%	0.795	S	S	*	*			trans	-45.3	121.1	154.5	-80.2	-77.8	131	0	0	106.8	G16 H20	G16-E18 PolarHBondContact O-N 2.62Å; G16-E18 VanDerWaalsContact O-N 3.09Å; E18-H20 PolarHBondContact O-N 2.88Å
19	P	50.2	Low	54	Low	92 Å²	92	143 Å²	143	60%	0.597	79%	0.792	S	S	*	*			trans	-60.8	111.9	168.2	25.1	-28.7	0	0	0	104.5	M17 R21	M17-P19 WeakPolarHBondContact O-CD 3.13Å; M17-P19 VanDerWaalsContact O-N 3.16Å; P19-R21 PolarHBondContact O-N 2.88Å
20	H	52	Low	56.6	Low	188 Å²	188	146.2 Å²	146.2	87%	0.87	79%	0.792	S	S	*	*			trans	-59.4	82	164.4	-77.4	-66.2	0	0	0	106.7	E18 A22	E18-H20 PolarHBondContact O-N 2.88Å; H20-A22 PolarHBondContact O-N 2.7Å
21	R	53	Low	59.3	Low	223 Å²	223	143.8 Å²	143.8	84%	0.842	78%	0.78	S	S	*	*			trans	-64.3	95.9	164.8	-77	-174.4	176	-179.3	0.6	103.2	P19 A23	P19-R21 PolarHBondContact O-N 2.88Å; R21-A23 PolarHBondContact O-N 2.81Å
22	A	59	Low	61.9	Low	91 Å²	91	139.9 Å²	139.9	75%	0.752	75%	0.754	S	S	*	*			trans	-53.2	101.7	164.8	0	0	0	0	0	105.6	H20 G24	H20-A22 PolarHBondContact O-N 2.7Å; A22-G24 PolarHBondContact O-N 2.94Å
23	A	58.8	Low	64.7	Low	111 Å²	111	140.3 Å²	140.3	92%	0.917	74%	0.739	S	S	*	*			trans	-74.8	42.8	-179.1	0	0	0	0	0	110.2	R21	R21-A23 PolarHBondContact O-N 2.81Å
24	G	71.3	Confident	67.2	Low	40 Å²	40	129.8 Å²	129.8	41%	0.412	70%	0.704	S	S	.	*	S	Bend	trans	-91.2	158.4	172.2	0	0	0	0	0	110.2	A22 L26	A22-G24 PolarHBondContact O-N 2.94Å; G24-L26 PolarHBondContact O-N 2.8Å; G24-L26 VanDerWaalsContact O-N 3.17Å
25	P	69.2	Low	69.9	Low	141 Å²	141	125.4 Å²	125.4	92%	0.916	68%	0.678	S	S	*	*			trans	-56.8	121.1	172.8	21.9	-30.4	0	0	0	110.6	Q27	P25-Q27 PolarHBondContact O-N 2.9Å
26	L	70.4	Confident	72.4	Confident	152 Å²	152	117.9 Å²	117.9	80%	0.796	64%	0.638	S	S	*	*			trans	-82.3	110.6	174.6	-98.5	146.2	0	0	0	109.5	G24 L28	G24-L26 PolarHBondContact O-N 2.8Å; G24-L26 VanDerWaalsContact O-N 3.17Å; L26-L28 PolarHBondContact O-N 3Å
27	Q	73.6	Confident	75	Confident	168 Å²	168	114.8 Å²	114.8	79%	0.785	61%	0.607	S	S	*	*			trans	-79.4	106.5	172	-173.6	168.5	-4.4	0	0	109.9	P25 R29	P25-Q27 PolarHBondContact O-N 2.9Å; Q27-R29 VanDerWaalsContact C-N 3.3Å; Q27-R29 PolarHBondContact O-N 2.83Å
28	L	77.1	Confident	77.3	Confident	162 Å²	162	106 Å²	106	85%	0.848	56%	0.564	S	S	*	*			trans	-85.1	6.4	-179.4	-68	169.5	0	0	0	114.2	L26	L26-L28 PolarHBondContact O-N 3Å
29	R	86.7	Confident	79.7	Confident	217 Å²	217	98.7 Å²	98.7	82%	0.819	53%	0.529	S	S	*	.			trans	-114.3	131.3	-173.5	-64.8	-175.2	179.6	-174.1	0.4	111	Q27	Q27-R29 VanDerWaalsContact C-N 3.3Å; Q27-R29 PolarHBondContact O-N 2.83Å
30	F	90.9	Very high	82	Confident	181 Å²	181	94.3 Å²	94.3	79%	0.794	50%	0.501	S	S	*	.			trans	-90.4	129.8	174.8	171.1	-110.6	0	0	0	110.9	P32	F30-P32 HydrophobicContact CE1-CB 3.81Å; F30-P32 HydrophobicContact CZ-CB 4.27Å
31	S	91.4	Very high	84.2	Confident	82 Å²	82	85.3 Å²	85.3	57%	0.573	46%	0.459	S	S	*	.			trans	-99.9	122.1	167.6	179.9	0	0	0	0	108.8	Y33	S31-Y33 VanDerWaalsContact C-N 3.28Å; S31-Y33 PolarHBondContact O-N 3.46Å; S31-Y33 PolarHBondContact OG-O 3.03Å
32	P	94.3	Very high	86.4	Confident	50 Å²	50	74.7 Å²	74.7	33%	0.325	42%	0.419	S	S	.	.			trans	-76.3	-14.5	-178.2	30.2	-34.8	0	0	0	114	F30 F130	F30-P32 HydrophobicContact CE1-CB 3.81Å; F30-P32 HydrophobicContact CZ-CB 4.27Å; P32-F130 HydrophobicContact CB-CE2 4.16Å; P32-F130 HydrophobicContact CB-CZ 3.9Å; P32-F130 HydrophobicContact CG-CE2 3.93Å; P32-F130 HydrophobicContact CG-CZ 4.16Å
33	Y	96.2	Very high	88.2	Confident	68 Å²	68	70.4 Å²	70.4	27%	0.267	38%	0.383	S	S	.	.			trans	-114	144.6	-176.8	-59	-56.6	0	0	0	112	S31 F85 F130 P131	S31-Y33 VanDerWaalsContact C-N 3.28Å; S31-Y33 PolarHBondContact O-N 3.46Å; S31-Y33 PolarHBondContact OG-O 3.03Å; Y33-F85 HydrophobicContact CD1-CD1 4.13Å; Y33-F130 HydrophobicContact CE1-CZ 4.29Å; Y33-F130 HydrophobicContact CE2-CE2 4.4Å; Y33-F130 AromaticContact CZ-CZ 3.89Å; Y33-F130 WeakPolarHBondContact OH-CE2 3.34Å; Y33-F130 WeakPolarHBondContact OH-CZ 3.22Å; Y33-P131 PolarHBondContact OH-O 2.88Å
34	A	95.3	Very high	90.1	Very high	26 Å²	26	66 Å²	66	22%	0.215	35%	0.347	C	S	.	.			trans	-126	150.6	164.1	0	0	0	0	0	108.9	E59 F85	A34-E59 HydrophobicContact CB-CG 4.43Å; A34-F85 HydrophobicContact CB-CD2 4.22Å; A34-F85 HydrophobicContact CB-CE2 4.18Å; A34-F85 WeakPolarHBondContact O-CB 3.33Å; A34-F85 WeakPolarHBondContact O-CD2 3.45Å
35	F	96.6	Very high	91.3	Very high	66 Å²	66	64.6 Å²	64.6	29%	0.289	33%	0.333	S	S	.	.			trans	-95.3	121.9	172.6	179.8	-107	0	0	0	109.1	Y133 Y216	F35-Y133 HydrophobicContact CD2-CE1 4Å; F35-Y216 HydrophobicContact CD1-CE1 4.22Å; F35-Y216 HydrophobicContact CE1-CD1 4.21Å; F35-Y216 HydrophobicContact CE1-CD2 4.07Å; F35-Y216 HydrophobicContact CE1-CE1 4.08Å; F35-Y216 AromaticContact CE1-CE2 3.94Å; F35-Y216 HydrophobicContact CE1-CE2 3.94Å; F35-Y216 HydrophobicContact CE1-CG 4.2Å; F35-Y216 AromaticContact CE1-CZ 3.95Å
36	N	97.7	Very high	92.5	Very high	10 Å²	10	63.7 Å²	63.7	5%	0.053	32%	0.316	C	S	.	.			trans	-103.9	2.9	-177.7	-61.4	115.8	0	0	0	114.7	L57 S58 G84 F85 H86	N36-L57 HydrophobicContact CB-CD1 3.8Å; N36-S58 CarbonylContact C-O 3.57Å; N36-S58 WeakPolarHBondContact CA-O 3.32Å; N36-S58 WeakPolarHBondContact CB-O 3.23Å; N36-S58 PolarHBondContact ND2-O 3.21Å; N36-S58 PolarHBondContact O-N 3.23Å; N36-S58 PolarHBondContact O-OG 3.05Å; N36-G84 WeakPolarHBondContact CB-O 3.11Å; N36-G84 PolarHBondContact N-O 2.93Å; N36-F85 WeakPolarHBondContact OD1-CD2 3.49Å; N36-H86 HydrophobicContact CB-CB 4.13Å; N36-H86 WeakPolarHBondContact OD1-CB 3.32Å; N36-H86 PolarHBondContact OD1-N 3.49Å
37	G	95.9	Very high	93.8	Very high	4 Å²	4	60.8 Å²	60.8	4%	0.041	30%	0.302	C	S	.	.			trans	71.2	-146.1	-178.3	0	0	0	0	0	112.8
38	G	95.9	Very high	94.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.			trans	82.8	146.4	-175.2	0	0	0	0	0	112.7	D54 G167 S168	G38-D54 VanDerWaalsContact CA-OD1 3.25Å; G38-D54 WeakPolarHBondContact CA-OD1 3.26Å; G38-G167 VanDerWaalsContact O-CA 3.23Å; G38-G167 WeakPolarHBondContact O-CA 3.37Å; G38-S168 PolarHBondContact O-N 3.42Å
39	T	98.2	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131	-178.7	-67.7	0	0	0	0	109.3	S53 D54 S168 A169 L173 F207 T217	T39-S53 VanDerWaalsContact O-CA 3.23Å; T39-S53 WeakPolarHBondContact O-CA 3.45Å; T39-S53 WeakPolarHBondContact O-CB 3.46Å; T39-D54 PolarHBondContact N-OD1 2.66Å; T39-D54 PolarHBondContact O-N 2.93Å; T39-S168 PolarHBondContact OG1-OG 3.12Å; T39-S168 VanDerWaalsContact OG1-OG 3.12Å; T39-A169 HydrophobicContact CG2-CB 3.92Å; T39-A169 WeakPolarHBondContact OG1-CB 3.31Å; T39-A169 PolarHBondContact OG1-N 3.45Å; T39-A169 VanDerWaalsContact OG1-N 3.1Å; T39-L173 HydrophobicContact CG2-CD1 3.36Å; T39-F207 HydrophobicContact CG2-CE1 3.87Å; T39-F207 HydrophobicContact CG2-CZ 4.2Å; T39-T217 PolarHBondContact OG1-OG1 3.4Å
40	V	98.1	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.9	178.5	178.2	0	0	0	0	108.6	V51 A52 K70 I137 A165 G166	V40-V51 HydrophobicContact CG1-CG1 4.46Å; V40-A52 CarbonylContact C-O 3.55Å; V40-A52 WeakPolarHBondContact CA-O 3.44Å; V40-K70 HydrophobicContact CG2-CB 4.11Å; V40-I137 HydrophobicContact CB-CD1 4.41Å; V40-I137 HydrophobicContact CG1-CB 4.14Å; V40-I137 HydrophobicContact CG1-CD1 4.1Å; V40-I137 HydrophobicContact CG1-CG1 4.43Å; V40-A165 CarbonylContact O-C 3.53Å; V40-A165 WeakPolarHBondContact O-CA 3.37Å; V40-G166 PolarHBondContact N-O 3.38Å; V40-G166 PolarHBondContact O-N 3Å; V40-G166 VanDerWaalsContact O-O 3.11Å
41	L	98.3	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142	177.8	174.2	150.7	0	0	0	109.6	I43 V51 A52 K164 L173 L177 V203 V206 F207	L41-I43 HydrophobicContact CD2-CD1 4.05Å; L41-I43 HydrophobicContact CD2-CG1 3.86Å; L41-V51 CarbonylContact O-C 3.28Å; L41-V51 WeakPolarHBondContact O-CA 3.44Å; L41-A52 PolarHBondContact N-O 3.02Å; L41-A52 PolarHBondContact O-N 3.39Å; L41-K164 CarbonylContact C-O 3.57Å; L41-K164 WeakPolarHBondContact CA-O 3.35Å; L41-L173 HydrophobicContact CB-CD1 4.44Å; L41-L173 HydrophobicContact CD1-CB 4.36Å; L41-L173 HydrophobicContact CD1-CD1 3.94Å; L41-L177 HydrophobicContact CD1-CD1 3.73Å; L41-L177 HydrophobicContact CD1-CD2 4.27Å; L41-L177 HydrophobicContact CD1-CG 4.38Å; L41-L177 HydrophobicContact CG-CD1 4.19Å; L41-V203 HydrophobicContact CD2-CG1 4.47Å; L41-V203 HydrophobicContact CD2-CG2 3.73Å; L41-V206 HydrophobicContact CD1-CG2 3.91Å; L41-F207 HydrophobicContact CB-CE2 3.81Å; L41-F207 HydrophobicContact CB-CZ 3.96Å; L41-F207 HydrophobicContact CD1-CE2 4.24Å; L41-F207 HydrophobicContact CG-CE2 4.44Å
42	A	98.4	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.6	170.1	0	0	0	0	0	112.3	I50 V51 I137 V149 F163 K164	A42-I50 CarbonylContact C-O 3.56Å; A42-I50 WeakPolarHBondContact CA-O 3.33Å; A42-I50 WeakPolarHBondContact CB-O 3.29Å; A42-V51 HydrophobicContact CB-CG2 4.15Å; A42-I137 HydrophobicContact CB-CG2 3.44Å; A42-I137 VanDerWaalsContact CB-CG2 3.44Å; A42-V149 HydrophobicContact CB-CB 4.47Å; A42-V149 HydrophobicContact CB-CG1 3.85Å; A42-V149 HydrophobicContact CB-CG2 3.71Å; A42-F163 CarbonylContact O-C 3.59Å; A42-F163 VanDerWaalsContact O-CA 3.22Å; A42-F163 WeakPolarHBondContact O-CA 3.44Å; A42-K164 PolarHBondContact N-O 2.85Å; A42-K164 PolarHBondContact O-N 3.24Å
43	I	98.4	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.3	177.6	-58.3	177.6	0	0	0	108.4	L41 A49 I50 F163 L177 L194 V203	L41-I43 HydrophobicContact CD2-CD1 4.05Å; L41-I43 HydrophobicContact CD2-CG1 3.86Å; I43-A49 WeakPolarHBondContact O-CA 3.44Å; I43-I50 PolarHBondContact N-O 3.19Å; I43-I50 PolarHBondContact O-N 3.41Å; I43-F163 HydrophobicContact CG1-CB 4.19Å; I43-L177 HydrophobicContact CD1-CD2 3.97Å; I43-L194 HydrophobicContact CG2-CD2 3.5Å; I43-V203 HydrophobicContact CD1-CG2 3.72Å
44	A	98.1	Very high	97.5	Very high	19 Å²	19	16.8 Å²	16.8	16%	0.157	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.2	169.3	0	0	0	0	0	109.9	V149 S162	A44-V149 HydrophobicContact CB-CG2 4.04Å; A44-S162 WeakPolarHBondContact CB-O 3.08Å; A44-S162 PolarHBondContact N-O 2.9Å
45	G	96.1	Very high	97.6	Very high	11 Å²	11	15.5 Å²	15.5	11%	0.113	8%	0.082	C	C	.	.			trans	-97.4	-176.4	165.7	0	0	0	0	0	111.7	F48 G147	G45-F48 CarbonylContact C-O 3.54Å; G45-F48 WeakPolarHBondContact CA-O 3.43Å; G45-F48 PolarHBondContact N-O 2.95Å; G45-G147 WeakPolarHBondContact O-CA 3.35Å; G45-G147 PolarHBondContact O-N 2.78Å
46	E	95.5	Very high	97.7	Very high	121 Å²	121	13 Å²	13	57%	0.565	7%	0.071	S	C	*	.	S	Bend	trans	-68.3	-38.4	-179.7	-168.2	63.8	-150.3	0	0	112.1	K146	E46-K146 VanDerWaalsContact O-CA 3.29Å; E46-K146 WeakPolarHBondContact O-CA 3.37Å
47	D	96.6	Very high	97.7	Very high	91 Å²	91	13.5 Å²	13.5	49%	0.487	7%	0.073	S	C	.	.	S	Bend	trans	-132.5	7.9	-176.3	63.6	-27.7	0	0	0	113.4
48	F	97.8	Very high	97.8	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.018	7%	0.074	C	C	.	.			trans	-140.8	161	179.3	68.2	-92.3	0	0	0	112	G45 I50 G147 L194 L196 A199 V226 T227	G45-F48 CarbonylContact C-O 3.54Å; G45-F48 WeakPolarHBondContact CA-O 3.43Å; G45-F48 PolarHBondContact N-O 2.95Å; F48-I50 HydrophobicContact CD2-CD1 4.26Å; F48-I50 HydrophobicContact CD2-CG1 3.91Å; F48-I50 HydrophobicContact CE2-CD1 3.89Å; F48-I50 HydrophobicContact CE2-CG1 4Å; F48-G147 WeakPolarHBondContact O-CA 3.14Å; F48-L194 WeakPolarHBondContact CE1-O 3.23Å; F48-L196 HydrophobicContact CB-CD1 4.45Å; F48-L196 HydrophobicContact CD1-CB 4.03Å; F48-L196 HydrophobicContact CD1-CD1 4.23Å; F48-L196 HydrophobicContact CD2-CD1 3.68Å; F48-L196 HydrophobicContact CE1-CB 3.87Å; F48-L196 HydrophobicContact CE1-CD1 4.45Å; F48-L196 HydrophobicContact CE2-CD1 3.9Å; F48-L196 HydrophobicContact CG-CD1 3.86Å; F48-L196 HydrophobicContact CZ-CB 4.2Å; F48-L196 HydrophobicContact CZ-CD1 4.29Å; F48-A199 HydrophobicContact CE2-CB 3.83Å; F48-A199 HydrophobicContact CZ-CB 3.87Å; F48-V226 CarbonylContact C-O 3.59Å; F48-V226 VanDerWaalsContact CA-O 3.23Å; F48-V226 WeakPolarHBondContact CA-O 3.43Å; F48-T227 HydrophobicContact CB-CG2 4.1Å
49	A	98.3	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.5	164.4	0	0	0	0	0	109.7	I43 G140 V226	I43-A49 WeakPolarHBondContact O-CA 3.44Å; A49-G140 WeakPolarHBondContact CB-O 3.47Å; A49-V226 HydrophobicContact CB-CB 4.33Å; A49-V226 PolarHBondContact N-O 2.77Å; A49-V226 PolarHBondContact O-N 3.13Å
50	I	98.4	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.1	173.3	-62.1	172.9	0	0	0	108.1	A42 I43 F48 L196 A199 M200 V203 I223 C224	A42-I50 CarbonylContact C-O 3.56Å; A42-I50 WeakPolarHBondContact CA-O 3.33Å; A42-I50 WeakPolarHBondContact CB-O 3.29Å; I43-I50 PolarHBondContact N-O 3.19Å; I43-I50 PolarHBondContact O-N 3.41Å; F48-I50 HydrophobicContact CD2-CD1 4.26Å; F48-I50 HydrophobicContact CD2-CG1 3.91Å; F48-I50 HydrophobicContact CE2-CD1 3.89Å; F48-I50 HydrophobicContact CE2-CG1 4Å; I50-L196 HydrophobicContact CD1-CD1 4.09Å; I50-L196 HydrophobicContact CG1-CD1 4.36Å; I50-A199 HydrophobicContact CD1-CB 3.55Å; I50-M200 HydrophobicContact CD1-CG 4.11Å; I50-M200 HydrophobicContact CD1-SD 3.82Å; I50-M200 HydrophobicContact CG1-SD 4.45Å; I50-V203 HydrophobicContact CG2-CG2 4.19Å; I50-I223 HydrophobicContact CG2-CG2 3.6Å; I50-C224 WeakPolarHBondContact CA-O 3.46Å
51	V	98.5	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.2	166.7	-173	0	0	0	0	107.5	V40 L41 A42 V79 C224	V40-V51 HydrophobicContact CG1-CG1 4.46Å; L41-V51 CarbonylContact O-C 3.28Å; L41-V51 WeakPolarHBondContact O-CA 3.44Å; A42-V51 HydrophobicContact CB-CG2 4.15Å; V51-V79 HydrophobicContact CB-CB 4.32Å; V51-V79 HydrophobicContact CB-CG1 4Å; V51-V79 HydrophobicContact CG1-CG1 4.08Å; V51-V79 HydrophobicContact CG2-CB 4.06Å; V51-V79 HydrophobicContact CG2-CG1 4.25Å; V51-C224 PolarHBondContact N-O 3.06Å; V51-C224 WeakPolarHBondContact O-CA 3.44Å; V51-C224 WeakPolarHBondContact O-CB 3.13Å; V51-C224 PolarHBondContact O-N 2.79Å
52	A	98.4	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.3	-178	0	0	0	0	0	110.9	V40 L41 V203 F207 L221 R222 I223	V40-A52 CarbonylContact C-O 3.55Å; V40-A52 WeakPolarHBondContact CA-O 3.44Å; L41-A52 PolarHBondContact N-O 3.02Å; L41-A52 PolarHBondContact O-N 3.39Å; A52-V203 HydrophobicContact CB-CG1 3.61Å; A52-F207 HydrophobicContact CB-CE2 3.8Å; A52-F207 HydrophobicContact CB-CZ 4.23Å; A52-L221 HydrophobicContact CB-CD1 4.16Å; A52-R222 CarbonylContact C-O 3.52Å; A52-R222 WeakPolarHBondContact CA-O 3.47Å; A52-I223 HydrophobicContact CB-CG1 4.21Å; A52-I223 HydrophobicContact CB-CG2 4.42Å
53	S	98.3	Very high	97.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152	172	61.7	0	0	0	0	111.9	T39 K70 C71 R222	T39-S53 VanDerWaalsContact O-CA 3.23Å; T39-S53 WeakPolarHBondContact O-CA 3.45Å; T39-S53 WeakPolarHBondContact O-CB 3.46Å; S53-K70 PolarHBondContact OG-N 3.02Å; S53-C71 PolarHBondContact OG-N 3.17Å; S53-C71 PolarHBondContact OG-SG 3.04Å; S53-R222 PolarHBondContact N-O 3.46Å; S53-R222 PolarHBondContact O-N 3.42Å
54	D	98.1	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	172	167.5	77.6	-46.1	0	0	0	111.1	G38 T39 K70 T217 A220	G38-D54 VanDerWaalsContact CA-OD1 3.25Å; G38-D54 WeakPolarHBondContact CA-OD1 3.26Å; T39-D54 PolarHBondContact N-OD1 2.66Å; T39-D54 PolarHBondContact O-N 2.93Å; D54-K70 WeakPolarHBondContact O-CD 3.36Å; D54-K70 WeakPolarHBondContact O-CE 3.45Å; D54-T217 HydrophobicContact CB-CG2 4.22Å; D54-A220 CarbonylContact C-O 3.53Å; D54-A220 VanDerWaalsContact CA-O 3.24Å; D54-A220 WeakPolarHBondContact CA-O 3.45Å
55	T	98.1	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.			trans	-114.9	-5.2	-177.9	60.5	0	0	0	0	114.1	L57 R66 S68 K70 A220	T55-L57 PolarHBondContact O-N 3.1Å; T55-R66 WeakPolarHBondContact CB-O 3.22Å; T55-R66 PolarHBondContact OG1-O 2.89Å; T55-S68 CarbonylContact C-O 3.57Å; T55-S68 WeakPolarHBondContact CA-O 3.48Å; T55-S68 WeakPolarHBondContact O-CA 3.41Å; T55-S68 PolarHBondContact O-N 3.05Å; T55-K70 PolarHBondContact O-NZ 3.03Å; T55-A220 HydrophobicContact CG2-CB 4.07Å; T55-A220 PolarHBondContact N-O 3.25Å; T55-A220 WeakPolarHBondContact OG1-CB 3.38Å; T55-A220 PolarHBondContact OG1-N 3Å; T55-A220 PolarHBondContact OG1-O 2.89Å
56	R	98.2	Very high	97.6	Very high	14 Å²	14	50.7 Å²	50.7	5%	0.053	26%	0.259	C	S	.	.			trans	-65.6	133.3	-179	-176	167.3	-74.6	-166.8	-5.2	111	I63 K70 V215 D219 D241	R56-I63 HydrophobicContact CG-CG2 4.42Å; R56-K70 WeakPolarHBondContact O-CE 2.86Å; R56-K70 PolarHBondContact O-NZ 3.44Å; R56-V215 PolarHBondContact NH1-O 3.1Å; R56-D219 WeakPolarHBondContact CB-OD2 3.44Å; R56-D219 WeakPolarHBondContact CG-OD2 3.19Å; R56-D219 IonicContact CZ-OD1 3.96Å; R56-D219 IonicContact CZ-OD2 3.19Å; R56-D219 IonicContact NE-OD1 3.11Å; R56-D219 IonicContact NE-OD2 2.66Å; R56-D219 PolarHBondContact NE-OD2 3.35Å; R56-D219 IonicContact NH2-OD1 3.71Å; R56-D219 PolarHBondContact NH2-OD1 3.29Å; R56-D219 IonicContact NH2-OD2 2.6Å; R56-D219 PolarHBondContact NH2-OD2 2.99Å; R56-D241 VanDerWaalsContact CZ-O 3.25Å; R56-D241 PolarHBondContact NH1-O 2.81Å; R56-D241 PolarHBondContact NH2-O 3.48Å
57	L	98.3	Very high	97.7	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.099	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.4	169.8	-178.2	69.2	0	0	0	108.3	N36 T55 H64 T65 H86	N36-L57 HydrophobicContact CB-CD1 3.8Å; T55-L57 PolarHBondContact O-N 3.1Å; L57-H64 HydrophobicContact CD2-CB 4.33Å; L57-H64 HydrophobicContact CG-CB 4.35Å; L57-H64 WeakPolarHBondContact O-CB 3.35Å; L57-H64 PolarHBondContact O-N 2.92Å; L57-T65 HydrophobicContact CB-CG2 3.71Å; L57-T65 HydrophobicContact CD2-CG2 3.98Å; L57-T65 HydrophobicContact CG-CG2 4.46Å; L57-T65 PolarHBondContact N-O 2.82Å; L57-T65 PolarHBondContact O-N 2.91Å; L57-H86 HydrophobicContact CD1-CB 3.86Å
58	S	97.4	Very high	97.7	Very high	8 Å²	8	46.6 Å²	46.6	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	162.9	-176.5	50.8	0	0	0	0	111.6	N36 S62 Y216	N36-S58 CarbonylContact C-O 3.57Å; N36-S58 WeakPolarHBondContact CA-O 3.32Å; N36-S58 WeakPolarHBondContact CB-O 3.23Å; N36-S58 PolarHBondContact ND2-O 3.21Å; N36-S58 PolarHBondContact O-N 3.23Å; N36-S58 PolarHBondContact O-OG 3.05Å; S58-S62 WeakPolarHBondContact CA-O 3.47Å; S58-Y216 WeakPolarHBondContact OG-CD1 3.27Å
59	E	97.3	Very high	97.6	Very high	91 Å²	91	48.4 Å²	48.4	43%	0.425	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	127.3	168	-172.1	178.7	159.5	0	0	109	A34 F61 S62 H64	A34-E59 HydrophobicContact CB-CG 4.43Å; E59-F61 PolarHBondContact O-N 2.99Å; E59-F61 VanDerWaalsContact O-N 3.12Å; E59-S62 PolarHBondContact N-O 2.77Å; E59-S62 PolarHBondContact O-N 2.91Å; E59-H64 WeakPolarHBondContact CB-NE2 3.4Å; E59-H64 IonicContact OE2-CD2 2.79Å; E59-H64 IonicContact OE2-CE1 3.46Å; E59-H64 IonicContact OE2-NE2 3.56Å; E59-H64 PolarHBondContact OE2-NE2 2.83Å
60	G	94.9	Very high	97.6	Very high	50 Å²	50	48.8 Å²	48.8	52%	0.515	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-118.2	-172.2	0	0	0	0	0	111.1
61	F	96.3	Very high	97.5	Very high	220 Å²	220	49.6 Å²	49.6	97%	0.965	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	15.2	179.9	-58.7	-62	0	0	0	113.6	E59	E59-F61 PolarHBondContact O-N 2.99Å; E59-F61 VanDerWaalsContact O-N 3.12Å
62	S	97	Very high	97.5	Very high	80 Å²	80	51.6 Å²	51.6	56%	0.559	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.9	179.6	-67.2	0	0	0	0	111.6	S58 E59	S58-S62 WeakPolarHBondContact CA-O 3.47Å; E59-S62 PolarHBondContact N-O 2.77Å; E59-S62 PolarHBondContact O-N 2.91Å
63	I	98	Very high	97.4	Very high	62 Å²	62	56.1 Å²	56.1	32%	0.318	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116	172.7	-60.1	174	0	0	0	107.7	R56 R66	R56-I63 HydrophobicContact CG-CG2 4.42Å; I63-R66 HydrophobicContact CG2-CG 4.05Å
64	H	97.8	Very high	97.3	Very high	111 Å²	111	57.2 Å²	57.2	51%	0.514	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-49.2	176.9	-73.7	-57.5	0	0	0	111.3	L57 E59	L57-H64 HydrophobicContact CD2-CB 4.33Å; L57-H64 HydrophobicContact CG-CB 4.35Å; L57-H64 WeakPolarHBondContact O-CB 3.35Å; L57-H64 PolarHBondContact O-N 2.92Å; E59-H64 WeakPolarHBondContact CB-NE2 3.4Å; E59-H64 IonicContact OE2-CD2 2.79Å; E59-H64 IonicContact OE2-CE1 3.46Å; E59-H64 IonicContact OE2-NE2 3.56Å; E59-H64 PolarHBondContact OE2-NE2 2.83Å
65	T	98.1	Very high	97.3	Very high	57 Å²	57	58.7 Å²	58.7	35%	0.35	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	154.1	175.5	-179	0	0	0	0	110.6	L57 D67	L57-T65 HydrophobicContact CB-CG2 3.71Å; L57-T65 HydrophobicContact CD2-CG2 3.98Å; L57-T65 HydrophobicContact CG-CG2 4.46Å; L57-T65 PolarHBondContact N-O 2.82Å; L57-T65 PolarHBondContact O-N 2.91Å; T65-D67 PolarHBondContact OG1-N 2.77Å
66	R	97.9	Very high	97.1	Very high	137 Å²	137	65.2 Å²	65.2	52%	0.517	34%	0.338	S	S	.	.	S	Bend	trans	-97.9	-7.9	177.1	-63.2	-172.1	173.4	85.1	-0.3	113	T55 I63 D219	T55-R66 WeakPolarHBondContact CB-O 3.22Å; T55-R66 PolarHBondContact OG1-O 2.89Å; I63-R66 HydrophobicContact CG2-CG 4.05Å; R66-D219 HydrophobicContact CB-CB 3.94Å; R66-D219 WeakPolarHBondContact CD-OD1 3.21Å; R66-D219 HydrophobicContact CG-CB 4.43Å; R66-D219 WeakPolarHBondContact CG-OD2 3.39Å; R66-D219 IonicContact NE-OD1 3.54Å
67	D	97.4	Very high	97	Very high	110 Å²	110	69.5 Å²	69.5	59%	0.588	36%	0.357	S	S	*	.			trans	-129.4	83.5	-179.1	-168.7	17.9	0	0	0	111	T65	T65-D67 PolarHBondContact OG1-N 2.77Å
68	S	97.8	Very high	97	Very high	16 Å²	16	68.6 Å²	68.6	11%	0.112	35%	0.353	C	S	.	.			trans	-138.4	90.3	173.7	176.5	0	0	0	0	108.1	T55 K70	T55-S68 CarbonylContact C-O 3.57Å; T55-S68 WeakPolarHBondContact CA-O 3.48Å; T55-S68 WeakPolarHBondContact O-CA 3.41Å; T55-S68 PolarHBondContact O-N 3.05Å; S68-K70 WeakPolarHBondContact O-CD 3.04Å; S68-K70 WeakPolarHBondContact O-CE 3.49Å; S68-K70 PolarHBondContact O-NZ 3.13Å
69	P	95.3	Very high	97.1	Very high	41 Å²	41	68.2 Å²	68.2	27%	0.266	35%	0.35	S	S	.	.			trans	-64.5	141.8	178.6	26.4	-33.8	0	0	0	110.8	R222	P69-R222 HydrophobicContact CB-CG 4.49Å
70	K	97.5	Very high	97.1	Very high	9 Å²	9	63.9 Å²	63.9	4%	0.039	33%	0.33	C	S	.	.			trans	-100.3	-1.7	178	-66	90.1	172.5	88.5	0	113	V40 S53 D54 T55 R56 S68 Y72 G81 C82	V40-K70 HydrophobicContact CG2-CB 4.11Å; S53-K70 PolarHBondContact OG-N 3.02Å; D54-K70 WeakPolarHBondContact O-CD 3.36Å; D54-K70 WeakPolarHBondContact O-CE 3.45Å; T55-K70 PolarHBondContact O-NZ 3.03Å; R56-K70 WeakPolarHBondContact O-CE 2.86Å; R56-K70 PolarHBondContact O-NZ 3.44Å; S68-K70 WeakPolarHBondContact O-CD 3.04Å; S68-K70 WeakPolarHBondContact O-CE 3.49Å; S68-K70 PolarHBondContact O-NZ 3.13Å; K70-Y72 WeakPolarHBondContact O-CD2 3.15Å; K70-Y72 WeakPolarHBondContact O-CE2 3.25Å; K70-G81 VanDerWaalsContact O-CA 3.28Å; K70-G81 WeakPolarHBondContact O-CA 3.41Å; K70-C82 WeakPolarHBondContact CB-O 3.31Å; K70-C82 WeakPolarHBondContact CG-O 3.49Å; K70-C82 PolarHBondContact O-N 2.93Å
71	C	97.2	Very high	97.3	Very high	16 Å²	16	61.5 Å²	61.5	11%	0.108	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.7	173.2	-62.7	0	0	0	0	110.8	S53 V79 I80	S53-C71 PolarHBondContact OG-N 3.17Å; S53-C71 PolarHBondContact OG-SG 3.04Å; C71-V79 HydrophobicContact CB-CG1 3.99Å; C71-I80 CarbonylContact C-O 3.6Å; C71-I80 WeakPolarHBondContact CA-O 3.36Å
72	Y	97.6	Very high	97.3	Very high	43 Å²	43	51.1 Å²	51.1	17%	0.169	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.4	176.7	-54.5	-84.4	0	0	0	110	K70 L74 V79 I80 C82 T93	K70-Y72 WeakPolarHBondContact O-CD2 3.15Å; K70-Y72 WeakPolarHBondContact O-CE2 3.25Å; Y72-L74 PolarHBondContact O-N 2.72Å; Y72-V79 WeakPolarHBondContact O-CA 3.29Å; Y72-I80 HydrophobicContact CD2-CG2 4.43Å; Y72-I80 PolarHBondContact N-O 3.3Å; Y72-I80 PolarHBondContact O-N 2.77Å; Y72-C82 HydrophobicContact CE2-CB 4.19Å; Y72-T93 HydrophobicContact CD1-CG2 3.89Å; Y72-T93 HydrophobicContact CD2-CG2 4.38Å; Y72-T93 HydrophobicContact CE1-CG2 4.46Å; Y72-T93 HydrophobicContact CG-CG2 3.84Å
73	K	97.5	Very high	97.3	Very high	95 Å²	95	47.5 Å²	47.5	41%	0.413	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.3	175	-71.3	170.8	162.8	170.4	0	109.3	V79 I231 E233	K73-V79 HydrophobicContact CG-CG2 4.28Å; K73-I231 HydrophobicContact CD-CD1 4.46Å; K73-I231 HydrophobicContact CD-CG2 4.48Å; K73-I231 HydrophobicContact CG-CD1 4.05Å; K73-I231 HydrophobicContact CG-CG2 4.49Å; K73-E233 WeakPolarHBondContact CE-OE1 3.19Å; K73-E233 IonicContact NZ-OE1 2.62Å; K73-E233 PolarHBondContact NZ-OE1 3.45Å
74	L	96.7	Very high	97.2	Very high	23 Å²	23	44.7 Å²	44.7	12%	0.12	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-45.1	179.2	-67.1	-173.5	0	0	0	111.9	Y72 T78 I80 I96 L100 I116	Y72-L74 PolarHBondContact O-N 2.72Å; L74-T78 HydrophobicContact CD1-CG2 4.45Å; L74-T78 PolarHBondContact N-O 3.2Å; L74-I80 HydrophobicContact CD1-CB 3.84Å; L74-I80 HydrophobicContact CD1-CG2 3.79Å; L74-I80 HydrophobicContact CD2-CG2 3.78Å; L74-I80 HydrophobicContact CG-CB 4.18Å; L74-I80 HydrophobicContact CG-CG2 3.7Å; L74-I96 HydrophobicContact CD1-CG2 3.84Å; L74-I96 HydrophobicContact CD2-CG2 3.79Å; L74-I96 HydrophobicContact CG-CG2 4.45Å; L74-L100 HydrophobicContact CB-CD1 3.77Å; L74-L100 HydrophobicContact CD2-CD1 4.03Å; L74-L100 HydrophobicContact CG-CD1 4.32Å; L74-I116 HydrophobicContact CD1-CG2 3.89Å
75	T	96.1	Very high	97.2	Very high	30 Å²	30	41.5 Å²	41.5	18%	0.184	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	178	176.9	72.5	0	0	0	0	108.8	K77 T78 L100 I116 I231	T75-K77 PolarHBondContact O-N 2.92Å; T75-K77 VanDerWaalsContact O-N 3.1Å; T75-K77 PolarHBondContact OG1-N 2.86Å; T75-T78 PolarHBondContact N-O 3.46Å; T75-T78 PolarHBondContact O-N 2.83Å; T75-T78 VanDerWaalsContact OG1-CB 3.27Å; T75-T78 WeakPolarHBondContact OG1-CB 3.48Å; T75-T78 PolarHBondContact OG1-N 3.41Å; T75-T78 VanDerWaalsContact OG1-N 3.1Å; T75-T78 PolarHBondContact OG1-OG1 3.04Å; T75-T78 VanDerWaalsContact OG1-OG1 3.05Å; T75-L100 HydrophobicContact CG2-CD2 4.4Å; T75-I116 HydrophobicContact CG2-CD1 3.91Å; T75-I231 VanDerWaalsContact O-CD1 3.23Å; T75-I231 WeakPolarHBondContact O-CD1 3.41Å
76	D	95.3	Very high	97.2	Very high	137 Å²	137	40.7 Å²	40.7	73%	0.733	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.3	176	-53.2	-44.5	0	0	0	113.5	I231	D76-I231 VanDerWaalsContact O-CG1 3.31Å; D76-I231 WeakPolarHBondContact O-CG1 3.41Å
77	K	96.4	Very high	97.2	Very high	104 Å²	104	35.6 Å²	35.6	45%	0.452	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	9.9	-176.3	-64.2	-172.9	-72.8	178.3	0	113.5	T75 G140 L141	T75-K77 PolarHBondContact O-N 2.92Å; T75-K77 VanDerWaalsContact O-N 3.1Å; T75-K77 PolarHBondContact OG1-N 2.86Å; K77-G140 CarbonylContact O-C 3.56Å; K77-G140 WeakPolarHBondContact O-CA 3.38Å; K77-L141 PolarHBondContact O-N 2.87Å
78	T	98	Very high	97.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	128.8	-175.8	-47	0	0	0	0	111.5	L74 T75 T113 I116 I138	L74-T78 HydrophobicContact CD1-CG2 4.45Å; L74-T78 PolarHBondContact N-O 3.2Å; T75-T78 PolarHBondContact N-O 3.46Å; T75-T78 PolarHBondContact O-N 2.83Å; T75-T78 VanDerWaalsContact OG1-CB 3.27Å; T75-T78 WeakPolarHBondContact OG1-CB 3.48Å; T75-T78 PolarHBondContact OG1-N 3.41Å; T75-T78 VanDerWaalsContact OG1-N 3.1Å; T75-T78 PolarHBondContact OG1-OG1 3.04Å; T75-T78 VanDerWaalsContact OG1-OG1 3.05Å; T78-T113 HydrophobicContact CG2-CG2 4.03Å; T78-T113 PolarHBondContact OG1-OG1 2.81Å; T78-I116 HydrophobicContact CG2-CD1 4Å; T78-I138 HydrophobicContact CG2-CG2 3.6Å
79	V	98.4	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.2	174.3	178.5	0	0	0	0	108.6	V51 C71 Y72 K73 G139 C224 V226 I231	V51-V79 HydrophobicContact CB-CB 4.32Å; V51-V79 HydrophobicContact CB-CG1 4Å; V51-V79 HydrophobicContact CG1-CG1 4.08Å; V51-V79 HydrophobicContact CG2-CB 4.06Å; V51-V79 HydrophobicContact CG2-CG1 4.25Å; C71-V79 HydrophobicContact CB-CG1 3.99Å; Y72-V79 WeakPolarHBondContact O-CA 3.29Å; K73-V79 HydrophobicContact CG-CG2 4.28Å; V79-G139 PolarHBondContact N-O 2.91Å; V79-G139 PolarHBondContact O-N 3.48Å; V79-G139 VanDerWaalsContact O-O 3.07Å; V79-C224 HydrophobicContact CG1-CB 4.28Å; V79-C224 HydrophobicContact CG2-CB 4.21Å; V79-V226 HydrophobicContact CG2-CG2 3.78Å; V79-I231 HydrophobicContact CG2-CD1 3.79Å; V79-I231 HydrophobicContact CG2-CG2 4.17Å
80	I	98.3	Very high	97.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135	170.3	-170.7	171.7	0	0	0	109.6	C71 Y72 L74 I96 L120 N136 I137 I138	C71-I80 CarbonylContact C-O 3.6Å; C71-I80 WeakPolarHBondContact CA-O 3.36Å; Y72-I80 HydrophobicContact CD2-CG2 4.43Å; Y72-I80 PolarHBondContact N-O 3.3Å; Y72-I80 PolarHBondContact O-N 2.77Å; L74-I80 HydrophobicContact CD1-CB 3.84Å; L74-I80 HydrophobicContact CD1-CG2 3.79Å; L74-I80 HydrophobicContact CD2-CG2 3.78Å; L74-I80 HydrophobicContact CG-CB 4.18Å; L74-I80 HydrophobicContact CG-CG2 3.7Å; I80-I96 HydrophobicContact CD1-CD1 3.72Å; I80-L120 HydrophobicContact CD1-CD2 3.91Å; I80-N136 HydrophobicContact CD1-CB 4.29Å; I80-I137 CarbonylContact C-O 3.57Å; I80-I137 WeakPolarHBondContact CA-O 3.31Å; I80-I138 HydrophobicContact CB-CG1 4.3Å; I80-I138 HydrophobicContact CD1-CG1 4.09Å; I80-I138 HydrophobicContact CG1-CG1 3.93Å
81	G	98.1	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.3	167.4	0	0	0	0	0	110.5	K70 N136 I137	K70-G81 VanDerWaalsContact O-CA 3.28Å; K70-G81 WeakPolarHBondContact O-CA 3.41Å; G81-N136 WeakPolarHBondContact O-CA 3.33Å; G81-I137 PolarHBondContact N-O 3.47Å; G81-I137 PolarHBondContact O-N 2.76Å
82	C	97.8	Very high	97.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.6	-178.9	-57.1	0	0	0	0	110.7	K70 Y72 C89 V134 N136	K70-C82 WeakPolarHBondContact CB-O 3.31Å; K70-C82 WeakPolarHBondContact CG-O 3.49Å; K70-C82 PolarHBondContact O-N 2.93Å; Y72-C82 HydrophobicContact CE2-CB 4.19Å; C82-C89 HydrophobicContact CB-CB 3.94Å; C82-V134 HydrophobicContact CB-CG1 3.94Å; C82-N136 PolarHBondContact SG-OD1 3.4Å
83	S	96.8	Very high	97.4	Very high	4 Å²	4	32 Å²	32	3%	0.028	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160.1	176.1	59	0	0	0	0	111.1	V134 Y135 G167	S83-V134 CarbonylContact O-C 3.57Å; S83-V134 WeakPolarHBondContact O-CA 3.49Å; S83-V134 WeakPolarHBondContact O-CG1 3.21Å; S83-Y135 PolarHBondContact N-O 3.47Å; S83-Y135 PolarHBondContact O-N 3.44Å; S83-Y135 PolarHBondContact OG-O 3.1Å; S83-G167 WeakPolarHBondContact OG-CA 3.42Å; S83-G167 PolarHBondContact OG-N 3.35Å
84	G	96.2	Very high	97.4	Very high	4 Å²	4	34.5 Å²	34.5	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.4	-129.2	-177	0	0	0	0	0	112.3	N36	N36-G84 WeakPolarHBondContact CB-O 3.11Å; N36-G84 PolarHBondContact N-O 2.93Å
85	F	97.9	Very high	97.5	Very high	44 Å²	44	35.8 Å²	35.8	19%	0.193	19%	0.187	C	C	.	.			trans	-78.8	119.4	175.9	179.2	-133.1	0	0	0	111.1	Y33 A34 N36 G87 D88 C89 Y133	Y33-F85 HydrophobicContact CD1-CD1 4.13Å; A34-F85 HydrophobicContact CB-CD2 4.22Å; A34-F85 HydrophobicContact CB-CE2 4.18Å; A34-F85 WeakPolarHBondContact O-CB 3.33Å; A34-F85 WeakPolarHBondContact O-CD2 3.45Å; N36-F85 WeakPolarHBondContact OD1-CD2 3.49Å; F85-G87 VanDerWaalsContact C-N 3.34Å; F85-G87 PolarHBondContact O-N 2.78Å; F85-D88 HydrophobicContact CD1-CB 3.89Å; F85-D88 PolarHBondContact O-N 3.27Å; F85-C89 PolarHBondContact O-N 3.4Å; F85-C89 VanDerWaalsContact O-N 3.11Å; F85-C89 PolarHBondContact O-SG 2.96Å; F85-Y133 HydrophobicContact CB-CD1 3.9Å; F85-Y133 HydrophobicContact CB-CG 4.45Å; F85-Y133 PolarHBondContact N-O 3.46Å
86	H	97.9	Very high	97.6	Very high	40 Å²	40	34.4 Å²	34.4	19%	0.185	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-34.6	-172.2	-171.1	64.8	0	0	0	112.9	N36 L57 D88 C89 L90	N36-H86 HydrophobicContact CB-CB 4.13Å; N36-H86 WeakPolarHBondContact OD1-CB 3.32Å; N36-H86 PolarHBondContact OD1-N 3.49Å; L57-H86 HydrophobicContact CD1-CB 3.86Å; H86-D88 VanDerWaalsContact C-N 3.31Å; H86-D88 PolarHBondContact O-N 3.31Å; H86-C89 WeakPolarHBondContact O-CB 3.37Å; H86-C89 PolarHBondContact O-N 3.09Å; H86-C89 VanDerWaalsContact O-N 3.16Å; H86-L90 WeakPolarHBondContact O-CG 3.47Å; H86-L90 PolarHBondContact O-N 3.15Å
87	G	97.4	Very high	97.7	Very high	29 Å²	29	31.3 Å²	31.3	30%	0.299	16%	0.16	S	C	.	.	H	α-helix	trans	-60.3	-40.6	176.9	0	0	0	0	0	112.8	F85 T91	F85-G87 VanDerWaalsContact C-N 3.34Å; F85-G87 PolarHBondContact O-N 2.78Å; G87-T91 PolarHBondContact O-N 3.01Å; G87-T91 PolarHBondContact O-OG1 3.04Å
88	D	97.9	Very high	97.7	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.064	16%	0.158	C	C	.	.	H	α-helix	trans	-71.8	-37.1	174.7	-79.5	-20.2	0	0	0	111.9	F85 H86 L90 T91 L92 Y132 Y133 V134	F85-D88 HydrophobicContact CD1-CB 3.89Å; F85-D88 PolarHBondContact O-N 3.27Å; H86-D88 VanDerWaalsContact C-N 3.31Å; H86-D88 PolarHBondContact O-N 3.31Å; D88-L90 PolarHBondContact O-N 3.25Å; D88-T91 PolarHBondContact O-N 3.43Å; D88-L92 WeakPolarHBondContact O-CB 3.18Å; D88-L92 PolarHBondContact O-N 3.46Å; D88-Y132 HydrophobicContact CB-CD1 3.95Å; D88-Y132 WeakPolarHBondContact OD2-CA 3.44Å; D88-Y133 PolarHBondContact OD2-N 2.82Å; D88-V134 HydrophobicContact CB-CG2 3.39Å
89	C	97.4	Very high	97.7	Very high	2 Å²	2	34 Å²	34	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-50.2	176	-63.9	0	0	0	0	111.1	C82 F85 H86 T91 L92 T93	C82-C89 HydrophobicContact CB-CB 3.94Å; F85-C89 PolarHBondContact O-N 3.4Å; F85-C89 VanDerWaalsContact O-N 3.11Å; F85-C89 PolarHBondContact O-SG 2.96Å; H86-C89 WeakPolarHBondContact O-CB 3.37Å; H86-C89 PolarHBondContact O-N 3.09Å; H86-C89 VanDerWaalsContact O-N 3.16Å; C89-T91 VanDerWaalsContact C-N 3.31Å; C89-T91 PolarHBondContact O-N 3.44Å; C89-L92 PolarHBondContact O-N 3.4Å; C89-T93 WeakPolarHBondContact O-CB 3.4Å; C89-T93 PolarHBondContact O-N 3.24Å; C89-T93 PolarHBondContact O-OG1 3.46Å
90	L	97.4	Very high	97.7	Very high	75 Å²	75	35 Å²	35	39%	0.393	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-41	179.2	-65.6	177.1	0	0	0	112.3	H86 D88 K94	H86-L90 WeakPolarHBondContact O-CG 3.47Å; H86-L90 PolarHBondContact O-N 3.15Å; D88-L90 PolarHBondContact O-N 3.25Å; L90-K94 WeakPolarHBondContact O-CG 3.43Å; L90-K94 PolarHBondContact O-N 2.86Å
91	T	98.1	Very high	97.6	Very high	65 Å²	65	41.2 Å²	41.2	40%	0.399	21%	0.21	S	C	.	.	H	α-helix	trans	-67.5	-47.6	179.9	-59	0	0	0	0	110.9	G87 D88 C89 K94 I95 Y132	G87-T91 PolarHBondContact O-N 3.01Å; G87-T91 PolarHBondContact O-OG1 3.04Å; D88-T91 PolarHBondContact O-N 3.43Å; C89-T91 VanDerWaalsContact C-N 3.31Å; C89-T91 PolarHBondContact O-N 3.44Å; T91-K94 PolarHBondContact O-N 3.25Å; T91-I95 HydrophobicContact CG2-CD1 3.9Å; T91-I95 WeakPolarHBondContact O-CG1 3.45Å; T91-I95 PolarHBondContact O-N 3.26Å; T91-Y132 HydrophobicContact CG2-CE1 4.44Å
92	L	97.8	Very high	97.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-44.3	-178.5	-173.8	63.1	0	0	0	111.3	D88 C89 K94 I95 I96 L120 I123 L124 Y132 V134 N136	D88-L92 WeakPolarHBondContact O-CB 3.18Å; D88-L92 PolarHBondContact O-N 3.46Å; C89-L92 PolarHBondContact O-N 3.4Å; L92-K94 VanDerWaalsContact C-N 3.35Å; L92-K94 PolarHBondContact O-N 3.01Å; L92-I95 PolarHBondContact O-N 3.39Å; L92-I96 HydrophobicContact CD1-CD1 4.38Å; L92-I96 HydrophobicContact CG-CD1 3.96Å; L92-I96 VanDerWaalsContact O-CG1 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 2.95Å; L92-L120 HydrophobicContact CD1-CD1 4.01Å; L92-L120 HydrophobicContact CD2-CD1 4.28Å; L92-L120 HydrophobicContact CG-CD1 4.38Å; L92-I123 HydrophobicContact CD1-CG2 3.72Å; L92-L124 HydrophobicContact CD1-CD2 4.25Å; L92-L124 HydrophobicContact CD2-CD2 3.96Å; L92-Y132 HydrophobicContact CD1-CE2 4.37Å; L92-V134 HydrophobicContact CD2-CB 4.43Å; L92-V134 HydrophobicContact CD2-CG1 4.32Å; L92-N136 WeakPolarHBondContact CD2-ND2 3.14Å; L92-N136 WeakPolarHBondContact CD2-OD1 3.42Å
93	T	97.4	Very high	97.6	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-48.3	175.9	-61	0	0	0	0	111.3	Y72 C89 I95 I96 E97	Y72-T93 HydrophobicContact CD1-CG2 3.89Å; Y72-T93 HydrophobicContact CD2-CG2 4.38Å; Y72-T93 HydrophobicContact CE1-CG2 4.46Å; Y72-T93 HydrophobicContact CG-CG2 3.84Å; C89-T93 WeakPolarHBondContact O-CB 3.4Å; C89-T93 PolarHBondContact O-N 3.24Å; C89-T93 PolarHBondContact O-OG1 3.46Å; T93-I95 PolarHBondContact O-N 2.98Å; T93-I96 PolarHBondContact O-N 3.33Å; T93-E97 WeakPolarHBondContact O-CG 3.4Å; T93-E97 PolarHBondContact O-N 2.96Å
94	K	98.1	Very high	97.6	Very high	147 Å²	147	56.2 Å²	56.2	64%	0.639	28%	0.276	S	S	*	.	H	α-helix	trans	-62.9	-39.4	178.4	-72.3	177.3	179.9	178.7	0	113	L90 T91 L92 A98	L90-K94 WeakPolarHBondContact O-CG 3.43Å; L90-K94 PolarHBondContact O-N 2.86Å; T91-K94 PolarHBondContact O-N 3.25Å; L92-K94 VanDerWaalsContact C-N 3.35Å; L92-K94 PolarHBondContact O-N 3.01Å; K94-A98 WeakPolarHBondContact O-CB 3.41Å; K94-A98 PolarHBondContact O-N 3.24Å
95	I	98.2	Very high	97.7	Very high	51 Å²	51	63.2 Å²	63.2	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-45	176.8	-69.9	168	0	0	0	110.4	T91 L92 T93 A98 R99 I123 Y132	T91-I95 HydrophobicContact CG2-CD1 3.9Å; T91-I95 WeakPolarHBondContact O-CG1 3.45Å; T91-I95 PolarHBondContact O-N 3.26Å; L92-I95 PolarHBondContact O-N 3.39Å; T93-I95 PolarHBondContact O-N 2.98Å; I95-A98 PolarHBondContact O-N 2.93Å; I95-R99 PolarHBondContact O-N 2.95Å; I95-I123 HydrophobicContact CG2-CD1 4.26Å; I95-I123 HydrophobicContact CG2-CG2 4.15Å; I95-Y132 WeakPolarHBondContact CD1-OH 3.31Å
96	I	97.9	Very high	97.7	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-49.2	178.6	-64.7	164	0	0	0	110	L74 I80 L92 T93 A98 R99 L100 M119 L120 I123	L74-I96 HydrophobicContact CD1-CG2 3.84Å; L74-I96 HydrophobicContact CD2-CG2 3.79Å; L74-I96 HydrophobicContact CG-CG2 4.45Å; I80-I96 HydrophobicContact CD1-CD1 3.72Å; L92-I96 HydrophobicContact CD1-CD1 4.38Å; L92-I96 HydrophobicContact CG-CD1 3.96Å; L92-I96 VanDerWaalsContact O-CG1 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 2.95Å; T93-I96 PolarHBondContact O-N 3.33Å; I96-A98 VanDerWaalsContact C-N 3.31Å; I96-A98 PolarHBondContact O-N 3.47Å; I96-R99 PolarHBondContact O-N 2.71Å; I96-R99 VanDerWaalsContact O-N 3.14Å; I96-L100 HydrophobicContact CG2-CD1 3.91Å; I96-L100 HydrophobicContact CG2-CG 4.24Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.29Å; I96-L100 PolarHBondContact O-N 3.25Å; I96-M119 HydrophobicContact CG2-CE 4.08Å; I96-L120 HydrophobicContact CD1-CD1 3.79Å; I96-L120 HydrophobicContact CG1-CD1 4.25Å; I96-I123 HydrophobicContact CG1-CD1 4.34Å
97	E	97.4	Very high	97.6	Very high	71 Å²	71	67.4 Å²	67.4	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-56.8	-42.2	178	-74.7	177.9	-173.6	0	0	112.9	T93 L100 K101	T93-E97 WeakPolarHBondContact O-CG 3.4Å; T93-E97 PolarHBondContact O-N 2.96Å; E97-L100 PolarHBondContact O-N 2.85Å; E97-K101 WeakPolarHBondContact O-CG 3.37Å; E97-K101 PolarHBondContact O-N 3.12Å; E97-K101 VanDerWaalsContact O-N 3.15Å
98	A	98.1	Very high	97.6	Very high	49 Å²	49	73.3 Å²	73.3	41%	0.405	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-47	176.2	0	0	0	0	0	111.2	K94 I95 I96 L100 K101 M102	K94-A98 WeakPolarHBondContact O-CB 3.41Å; K94-A98 PolarHBondContact O-N 3.24Å; I95-A98 PolarHBondContact O-N 2.93Å; I96-A98 VanDerWaalsContact C-N 3.31Å; I96-A98 PolarHBondContact O-N 3.47Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.23Å; A98-K101 PolarHBondContact O-N 3.4Å; A98-M102 VanDerWaalsContact O-CG 3.31Å; A98-M102 WeakPolarHBondContact O-CG 3.44Å; A98-M102 PolarHBondContact O-N 2.78Å
99	R	97.8	Very high	97.5	Very high	114 Å²	114	78.5 Å²	78.5	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-35.2	178.3	-71.1	-155.3	179.4	-161.7	-1.2	113.1	I95 I96 M102 Y103 M119	I95-R99 PolarHBondContact O-N 2.95Å; I96-R99 PolarHBondContact O-N 2.71Å; I96-R99 VanDerWaalsContact O-N 3.14Å; R99-M102 PolarHBondContact O-N 2.89Å; R99-Y103 WeakPolarHBondContact O-CB 3.4Å; R99-Y103 PolarHBondContact O-N 3.26Å; R99-M119 HydrophobicContact CB-CE 4.17Å; R99-M119 HydrophobicContact CB-SD 3.56Å; R99-M119 VanDerWaalsContact CB-SD 3.56Å; R99-M119 HydrophobicContact CG-SD 4.31Å
100	L	97.6	Very high	97.4	Very high	19 Å²	19	81.4 Å²	81.4	10%	0.099	41%	0.412	C	S	.	.	H	α-helix	trans	-60.4	-45.6	173.9	-72.3	169.9	0	0	0	111.5	L74 T75 I96 E97 A98 Y103 K104 M111 I116	L74-L100 HydrophobicContact CB-CD1 3.77Å; L74-L100 HydrophobicContact CD2-CD1 4.03Å; L74-L100 HydrophobicContact CG-CD1 4.32Å; T75-L100 HydrophobicContact CG2-CD2 4.4Å; I96-L100 HydrophobicContact CG2-CD1 3.91Å; I96-L100 HydrophobicContact CG2-CG 4.24Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.29Å; I96-L100 PolarHBondContact O-N 3.25Å; E97-L100 PolarHBondContact O-N 2.85Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.23Å; L100-Y103 PolarHBondContact O-N 2.92Å; L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.26Å; L100-M111 HydrophobicContact CD2-CB 4.01Å; L100-M111 HydrophobicContact CD2-CG 4.09Å; L100-M111 HydrophobicContact CD2-SD 3.74Å; L100-I116 HydrophobicContact CD2-CD1 3.75Å; L100-I116 HydrophobicContact CD2-CG1 3.81Å
101	K	97.5	Very high	97.4	Very high	131 Å²	131	78.7 Å²	78.7	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-63.9	-45.9	176.8	-69.1	170.5	-175	171	0	111.4	E97 A98 Y103 K104 H105	E97-K101 WeakPolarHBondContact O-CG 3.37Å; E97-K101 PolarHBondContact O-N 3.12Å; E97-K101 VanDerWaalsContact O-N 3.15Å; A98-K101 PolarHBondContact O-N 3.4Å; K101-Y103 PolarHBondContact O-N 3.05Å; K101-K104 PolarHBondContact O-N 3.26Å; K101-H105 PolarHBondContact O-CD2 3.26Å; K101-H105 PolarHBondContact O-N 2.89Å
102	M	97.9	Very high	97.3	Very high	126 Å²	126	78 Å²	78	62%	0.621	39%	0.393	S	S	*	.	H	α-helix	trans	-58.7	-46.5	176.2	-68.7	172.8	70.9	0	0	111.6	A98 R99 K104 H105 S106	A98-M102 VanDerWaalsContact O-CG 3.31Å; A98-M102 WeakPolarHBondContact O-CG 3.44Å; A98-M102 PolarHBondContact O-N 2.78Å; R99-M102 PolarHBondContact O-N 2.89Å; M102-K104 VanDerWaalsContact C-N 3.31Å; M102-K104 PolarHBondContact O-N 2.83Å; M102-H105 PolarHBondContact O-N 2.83Å; M102-S106 PolarHBondContact O-N 2.85Å; M102-S106 PolarHBondContact O-OG 2.99Å
103	Y	97.9	Very high	97.3	Very high	65 Å²	65	78.1 Å²	78.1	26%	0.255	39%	0.394	S	S	.	.	H	α-helix	trans	-59.3	-43.9	177.4	-176.6	-84.4	0	0	0	111.7	R99 L100 K101 H105 S106 N107 K109 M111	R99-Y103 WeakPolarHBondContact O-CB 3.4Å; R99-Y103 PolarHBondContact O-N 3.26Å; L100-Y103 PolarHBondContact O-N 2.92Å; K101-Y103 PolarHBondContact O-N 3.05Å; Y103-H105 VanDerWaalsContact C-N 3.34Å; Y103-H105 PolarHBondContact O-N 3.05Å; Y103-S106 PolarHBondContact O-N 3.48Å; Y103-N107 HydrophobicContact CD1-CB 4.35Å; Y103-N107 WeakPolarHBondContact CD2-ND2 3.48Å; Y103-N107 HydrophobicContact CE1-CB 3.99Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.5Å; Y103-N107 WeakPolarHBondContact O-CB 3.4Å; Y103-N107 PolarHBondContact O-N 3.03Å; Y103-N107 PolarHBondContact O-ND2 2.89Å; Y103-K109 WeakPolarHBondContact CD1-O 2.95Å; Y103-K109 HydrophobicContact CE1-CG 4.11Å; Y103-K109 WeakPolarHBondContact OH-CE 3.44Å; Y103-M111 HydrophobicContact CD1-CB 4.33Å; Y103-M111 HydrophobicContact CD1-CG 3.16Å; Y103-M111 HydrophobicContact CD1-SD 4.19Å; Y103-M111 HydrophobicContact CD2-CE 4.25Å; Y103-M111 HydrophobicContact CD2-CG 3.85Å; Y103-M111 HydrophobicContact CD2-SD 3.96Å; Y103-M111 HydrophobicContact CE1-CB 4.43Å; Y103-M111 HydrophobicContact CE1-CG 3.55Å; Y103-M111 HydrophobicContact CE2-CE 4.5Å; Y103-M111 HydrophobicContact CE2-CG 4.19Å; Y103-M111 HydrophobicContact CG-CG 3.33Å; Y103-M111 HydrophobicContact CG-SD 3.72Å
104	K	96.8	Very high	97.3	Very high	129 Å²	129	79 Å²	79	56%	0.561	41%	0.405	S	S	*	.	H	α-helix	trans	-60.9	-41.8	178.6	-173.6	175.8	179.9	176.5	0	112	L100 K101 M102 N108 K109	L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.26Å; K101-K104 PolarHBondContact O-N 3.26Å; M102-K104 VanDerWaalsContact C-N 3.31Å; M102-K104 PolarHBondContact O-N 2.83Å; K104-N108 VanDerWaalsContact O-CA 3.26Å; K104-N108 WeakPolarHBondContact O-CA 3.37Å; K104-N108 PolarHBondContact O-N 2.78Å; K104-K109 WeakPolarHBondContact CA-O 3.37Å
105	H	97.5	Very high	97.3	Very high	151 Å²	151	73.5 Å²	73.5	70%	0.699	39%	0.386	S	S	*	.	H	α-helix	trans	-68.7	-39.6	177.3	-71	-55.4	0	0	0	113	K101 M102 Y103	K101-H105 PolarHBondContact O-CD2 3.26Å; K101-H105 PolarHBondContact O-N 2.89Å; M102-H105 PolarHBondContact O-N 2.83Å; Y103-H105 VanDerWaalsContact C-N 3.34Å; Y103-H105 PolarHBondContact O-N 3.05Å
106	S	97.6	Very high	97.3	Very high	97 Å²	97	71 Å²	71	68%	0.678	37%	0.374	S	S	*	.	H	α-helix	trans	-75.8	-30.4	-179.3	-58.9	0	0	0	0	113.7	M102 Y103	M102-S106 PolarHBondContact O-N 2.85Å; M102-S106 PolarHBondContact O-OG 2.99Å; Y103-S106 PolarHBondContact O-N 3.48Å
107	N	96.6	Very high	97.3	Very high	75 Å²	75	71 Å²	71	40%	0.401	37%	0.374	S	S	.	.	H	α-helix	trans	-113.8	-2.9	-171.9	-60.1	-84.8	0	0	0	114.2	Y103 K109	Y103-N107 HydrophobicContact CD1-CB 4.35Å; Y103-N107 WeakPolarHBondContact CD2-ND2 3.48Å; Y103-N107 HydrophobicContact CE1-CB 3.99Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.5Å; Y103-N107 WeakPolarHBondContact O-CB 3.4Å; Y103-N107 PolarHBondContact O-N 3.03Å; Y103-N107 PolarHBondContact O-ND2 2.89Å; N107-K109 HydrophobicContact CB-CG 4.03Å; N107-K109 PolarHBondContact O-N 2.94Å
108	N	96.4	Very high	97.3	Very high	153 Å²	153	69.5 Å²	69.5	82%	0.818	37%	0.374	S	S	*	.	S	Bend	trans	53.9	20.7	-174.8	-62.1	-54.6	0	0	0	114.8	K104	K104-N108 VanDerWaalsContact O-CA 3.26Å; K104-N108 WeakPolarHBondContact O-CA 3.37Å; K104-N108 PolarHBondContact O-N 2.78Å
109	K	95.8	Very high	97.3	Very high	121 Å²	121	68.3 Å²	68.3	53%	0.526	36%	0.36	S	S	.	.	S	Bend	trans	-143.6	154.1	179.3	68.9	179.7	-176.8	172.5	0	111.5	Y103 K104 N107	Y103-K109 WeakPolarHBondContact CD1-O 2.95Å; Y103-K109 HydrophobicContact CE1-CG 4.11Å; Y103-K109 WeakPolarHBondContact OH-CE 3.44Å; K104-K109 WeakPolarHBondContact CA-O 3.37Å; N107-K109 HydrophobicContact CB-CG 4.03Å; N107-K109 PolarHBondContact O-N 2.94Å
110	A	95.6	Very high	97.3	Very high	63 Å²	63	62.9 Å²	62.9	52%	0.521	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-73.8	154	173.2	0	0	0	0	0	111.2
111	M	96.6	Very high	97.3	Very high	18 Å²	18	63.3 Å²	63.3	9%	0.089	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-72.5	144.3	173.3	-66	-174.1	74	0	0	110.7	L100 Y103 A115 I116 M119	L100-M111 HydrophobicContact CD2-CB 4.01Å; L100-M111 HydrophobicContact CD2-CG 4.09Å; L100-M111 HydrophobicContact CD2-SD 3.74Å; Y103-M111 HydrophobicContact CD1-CB 4.33Å; Y103-M111 HydrophobicContact CD1-CG 3.16Å; Y103-M111 HydrophobicContact CD1-SD 4.19Å; Y103-M111 HydrophobicContact CD2-CE 4.25Å; Y103-M111 HydrophobicContact CD2-CG 3.85Å; Y103-M111 HydrophobicContact CD2-SD 3.96Å; Y103-M111 HydrophobicContact CE1-CB 4.43Å; Y103-M111 HydrophobicContact CE1-CG 3.55Å; Y103-M111 HydrophobicContact CE2-CE 4.5Å; Y103-M111 HydrophobicContact CE2-CG 4.19Å; Y103-M111 HydrophobicContact CG-CG 3.33Å; Y103-M111 HydrophobicContact CG-SD 3.72Å; M111-A115 HydrophobicContact CB-CB 4.44Å; M111-A115 HydrophobicContact CE-CB 3.82Å; M111-A115 WeakPolarHBondContact CE-O 3.38Å; M111-I116 HydrophobicContact CB-CD1 4.16Å; M111-I116 HydrophobicContact CB-CG1 3.65Å; M111-I116 HydrophobicContact CE-CG1 4.45Å; M111-I116 HydrophobicContact SD-CG1 4.41Å; M111-M119 HydrophobicContact CE-CB 4.08Å; M111-M119 HydrophobicContact CE-CE 4.47Å; M111-M119 HydrophobicContact CE-SD 4Å; M111-M119 HydrophobicContact SD-CE 4.29Å; M111-M119 HydrophobicContact SD-SD 4Å
112	T	97.1	Very high	97.4	Very high	50 Å²	50	61.1 Å²	61.1	31%	0.307	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-78.7	158.6	170.4	64.3	0	0	0	0	110.4	G114 A115 I116 E143	T112-G114 VanDerWaalsContact C-N 3.26Å; T112-G114 PolarHBondContact O-N 3.36Å; T112-A115 PolarHBondContact O-N 2.87Å; T112-A115 WeakPolarHBondContact OG1-CB 3.4Å; T112-A115 PolarHBondContact OG1-N 3.42Å; T112-I116 WeakPolarHBondContact O-CG1 3.24Å; T112-I116 PolarHBondContact O-N 3.42Å; T112-E143 HydrophobicContact CG2-CG 3.65Å; T112-E143 WeakPolarHBondContact CG2-OE1 3.47Å
113	T	97.4	Very high	97.4	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-41.5	178.8	-53.9	0	0	0	0	112	T78 I116 A117 I138 L141 Y150	T78-T113 HydrophobicContact CG2-CG2 4.03Å; T78-T113 PolarHBondContact OG1-OG1 2.81Å; T113-I116 PolarHBondContact O-N 2.87Å; T113-A117 PolarHBondContact O-N 2.87Å; T113-I138 HydrophobicContact CG2-CG2 3.77Å; T113-L141 WeakPolarHBondContact CB-O 3.28Å; T113-L141 PolarHBondContact OG1-O 3.32Å; T113-Y150 HydrophobicContact CG2-CD2 4.15Å; T113-Y150 HydrophobicContact CG2-CE2 3.96Å
114	G	97.2	Very high	97.4	Very high	26 Å²	26	52.2 Å²	52.2	27%	0.268	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-37.2	176.1	0	0	0	0	0	113.8	T112 A117 A118	T112-G114 VanDerWaalsContact C-N 3.26Å; T112-G114 PolarHBondContact O-N 3.36Å; G114-A117 PolarHBondContact O-N 3.43Å; G114-A118 PolarHBondContact O-N 3.27Å
115	A	97.7	Very high	97.4	Very high	30 Å²	30	53.1 Å²	53.1	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-37.8	175.7	0	0	0	0	0	112	M111 T112 A117 A118 M119	M111-A115 HydrophobicContact CB-CB 4.44Å; M111-A115 HydrophobicContact CE-CB 3.82Å; M111-A115 WeakPolarHBondContact CE-O 3.38Å; T112-A115 PolarHBondContact O-N 2.87Å; T112-A115 WeakPolarHBondContact OG1-CB 3.4Å; T112-A115 PolarHBondContact OG1-N 3.42Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A115-A118 PolarHBondContact O-N 3.01Å; A115-M119 WeakPolarHBondContact O-CB 3.23Å; A115-M119 PolarHBondContact O-N 3.27Å
116	I	98.1	Very high	97.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-42.1	174.6	-61.9	172.5	0	0	0	110	L74 T75 T78 L100 M111 T112 T113 M119 L120 I138	L74-I116 HydrophobicContact CD1-CG2 3.89Å; T75-I116 HydrophobicContact CG2-CD1 3.91Å; T78-I116 HydrophobicContact CG2-CD1 4Å; L100-I116 HydrophobicContact CD2-CD1 3.75Å; L100-I116 HydrophobicContact CD2-CG1 3.81Å; M111-I116 HydrophobicContact CB-CD1 4.16Å; M111-I116 HydrophobicContact CB-CG1 3.65Å; M111-I116 HydrophobicContact CE-CG1 4.45Å; M111-I116 HydrophobicContact SD-CG1 4.41Å; T112-I116 WeakPolarHBondContact O-CG1 3.24Å; T112-I116 PolarHBondContact O-N 3.42Å; T113-I116 PolarHBondContact O-N 2.87Å; I116-M119 HydrophobicContact CG2-CE 4.47Å; I116-M119 PolarHBondContact O-N 2.95Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 PolarHBondContact O-N 2.85Å; I116-I138 HydrophobicContact CG2-CD1 3.93Å
117	A	98	Very high	97.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-47.9	177.5	0	0	0	0	0	112.4	T113 G114 A115 M119 L120 S121 I138 Y150 F152 Y158	T113-A117 PolarHBondContact O-N 2.87Å; G114-A117 PolarHBondContact O-N 3.43Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A117-M119 VanDerWaalsContact C-N 3.35Å; A117-M119 PolarHBondContact O-N 3.21Å; A117-L120 PolarHBondContact O-N 3.16Å; A117-S121 PolarHBondContact O-N 3.31Å; A117-S121 VanDerWaalsContact O-N 3.13Å; A117-I138 HydrophobicContact CB-CD1 4.45Å; A117-Y150 HydrophobicContact CB-CD1 3.93Å; A117-Y150 HydrophobicContact CB-CD2 3.86Å; A117-Y150 HydrophobicContact CB-CE1 4.29Å; A117-Y150 HydrophobicContact CB-CE2 4.25Å; A117-Y150 HydrophobicContact CB-CG 3.68Å; A117-F152 HydrophobicContact CB-CZ 3.84Å; A117-F152 WeakPolarHBondContact O-CE1 3.43Å; A117-Y158 HydrophobicContact CB-CD2 4.25Å; A117-Y158 HydrophobicContact CB-CE2 4.09Å
118	A	98.2	Very high	97.3	Very high	40 Å²	40	51.2 Å²	51.2	33%	0.331	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-41.1	176.2	0	0	0	0	0	112.3	G114 A115 S121 T122	G114-A118 PolarHBondContact O-N 3.27Å; A115-A118 PolarHBondContact O-N 3.01Å; A118-S121 WeakPolarHBondContact O-CB 3.45Å; A118-S121 PolarHBondContact O-N 3.07Å; A118-T122 PolarHBondContact O-N 3.27Å
119	M	98.3	Very high	97.3	Very high	24 Å²	24	53.6 Å²	53.6	12%	0.118	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-46	175.2	-179.8	-173.2	68.3	0	0	111.4	I96 R99 M111 A115 I116 A117 S121 T122 I123	I96-M119 HydrophobicContact CG2-CE 4.08Å; R99-M119 HydrophobicContact CB-CE 4.17Å; R99-M119 HydrophobicContact CB-SD 3.56Å; R99-M119 VanDerWaalsContact CB-SD 3.56Å; R99-M119 HydrophobicContact CG-SD 4.31Å; M111-M119 HydrophobicContact CE-CB 4.08Å; M111-M119 HydrophobicContact CE-CE 4.47Å; M111-M119 HydrophobicContact CE-SD 4Å; M111-M119 HydrophobicContact SD-CE 4.29Å; M111-M119 HydrophobicContact SD-SD 4Å; A115-M119 WeakPolarHBondContact O-CB 3.23Å; A115-M119 PolarHBondContact O-N 3.27Å; I116-M119 HydrophobicContact CG2-CE 4.47Å; I116-M119 PolarHBondContact O-N 2.95Å; A117-M119 VanDerWaalsContact C-N 3.35Å; A117-M119 PolarHBondContact O-N 3.21Å; M119-S121 VanDerWaalsContact C-N 3.31Å; M119-S121 PolarHBondContact O-N 2.94Å; M119-T122 PolarHBondContact O-N 3.33Å; M119-T122 PolarHBondContact O-OG1 3.45Å; M119-I123 HydrophobicContact CE-CD1 4.26Å; M119-I123 HydrophobicContact CG-CD1 3.94Å; M119-I123 HydrophobicContact CG-CG1 4.47Å; M119-I123 WeakPolarHBondContact O-CG1 3.28Å; M119-I123 PolarHBondContact O-N 3.06Å; M119-I123 VanDerWaalsContact O-N 3.12Å; M119-I123 HydrophobicContact SD-CD1 4.41Å
120	L	98.1	Very high	97.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-40.8	-178.4	-178.7	57	0	0	0	112	I80 L92 I96 I116 A117 T122 I123 L124 N136 I138 F152	I80-L120 HydrophobicContact CD1-CD2 3.91Å; L92-L120 HydrophobicContact CD1-CD1 4.01Å; L92-L120 HydrophobicContact CD2-CD1 4.28Å; L92-L120 HydrophobicContact CG-CD1 4.38Å; I96-L120 HydrophobicContact CD1-CD1 3.79Å; I96-L120 HydrophobicContact CG1-CD1 4.25Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 PolarHBondContact O-N 2.85Å; A117-L120 PolarHBondContact O-N 3.16Å; L120-T122 VanDerWaalsContact C-N 3.29Å; L120-T122 PolarHBondContact O-N 3.32Å; L120-I123 PolarHBondContact O-N 3.2Å; L120-I123 VanDerWaalsContact O-N 3.08Å; L120-L124 HydrophobicContact CD1-CD1 4.21Å; L120-L124 HydrophobicContact CD1-CD2 4.48Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; L120-L124 HydrophobicContact CG-CD1 3.97Å; L120-L124 HydrophobicContact CG-CG 4.27Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 3.27Å; L120-N136 HydrophobicContact CD2-CB 3.99Å; L120-I138 HydrophobicContact CB-CD1 4.45Å; L120-I138 HydrophobicContact CD2-CD1 3.74Å; L120-I138 HydrophobicContact CD2-CG1 4.31Å; L120-F152 HydrophobicContact CB-CE1 4.01Å; L120-F152 HydrophobicContact CB-CZ 4.17Å; L120-F152 HydrophobicContact CD2-CD1 4.15Å; L120-F152 HydrophobicContact CD2-CD2 4Å; L120-F152 HydrophobicContact CD2-CE1 4.05Å; L120-F152 HydrophobicContact CD2-CE2 3.91Å; L120-F152 HydrophobicContact CD2-CG 4.14Å; L120-F152 HydrophobicContact CD2-CZ 3.95Å; L120-F152 HydrophobicContact CG-CD1 4.21Å; L120-F152 HydrophobicContact CG-CE1 4.03Å; L120-F152 HydrophobicContact CG-CZ 4.33Å
121	S	98.1	Very high	97.4	Very high	28 Å²	28	51.1 Å²	51.1	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-51.5	-48.4	174.2	179	0	0	0	0	112	A117 A118 M119 I123 L124 Y125 G156	A117-S121 PolarHBondContact O-N 3.31Å; A117-S121 VanDerWaalsContact O-N 3.13Å; A118-S121 WeakPolarHBondContact O-CB 3.45Å; A118-S121 PolarHBondContact O-N 3.07Å; M119-S121 VanDerWaalsContact C-N 3.31Å; M119-S121 PolarHBondContact O-N 2.94Å; S121-I123 PolarHBondContact O-N 3.4Å; S121-L124 PolarHBondContact O-N 3.01Å; S121-Y125 WeakPolarHBondContact O-CB 3.41Å; S121-Y125 PolarHBondContact O-N 3.06Å; S121-G156 WeakPolarHBondContact CA-O 3.43Å; S121-G156 WeakPolarHBondContact CB-O 3.48Å; S121-G156 PolarHBondContact OG-O 3.03Å
122	T	97.9	Very high	97.5	Very high	84 Å²	84	50.9 Å²	50.9	52%	0.515	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-34.3	178.6	67.1	0	0	0	0	113.2	A118 M119 L120 S126	A118-T122 PolarHBondContact O-N 3.27Å; M119-T122 PolarHBondContact O-N 3.33Å; M119-T122 PolarHBondContact O-OG1 3.45Å; L120-T122 VanDerWaalsContact C-N 3.29Å; L120-T122 PolarHBondContact O-N 3.32Å; T122-S126 WeakPolarHBondContact O-CB 3.44Å; T122-S126 PolarHBondContact O-N 3.43Å
123	I	98	Very high	97.5	Very high	4 Å²	4	52 Å²	52	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-46.2	177.3	-66.4	168.1	0	0	0	110.1	L92 I95 I96 M119 L120 S121 S126 Y132	L92-I123 HydrophobicContact CD1-CG2 3.72Å; I95-I123 HydrophobicContact CG2-CD1 4.26Å; I95-I123 HydrophobicContact CG2-CG2 4.15Å; I96-I123 HydrophobicContact CG1-CD1 4.34Å; M119-I123 HydrophobicContact CE-CD1 4.26Å; M119-I123 HydrophobicContact CG-CD1 3.94Å; M119-I123 HydrophobicContact CG-CG1 4.47Å; M119-I123 WeakPolarHBondContact O-CG1 3.28Å; M119-I123 PolarHBondContact O-N 3.06Å; M119-I123 VanDerWaalsContact O-N 3.12Å; M119-I123 HydrophobicContact SD-CD1 4.41Å; L120-I123 PolarHBondContact O-N 3.2Å; L120-I123 VanDerWaalsContact O-N 3.08Å; S121-I123 PolarHBondContact O-N 3.4Å; I123-S126 WeakPolarHBondContact O-CB 3.49Å; I123-S126 PolarHBondContact O-N 3.28Å; I123-S126 PolarHBondContact O-OG 2.88Å; I123-Y132 HydrophobicContact CG2-CE2 4.46Å
124	L	97.9	Very high	97.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-45.5	178.6	-67.4	173.4	0	0	0	110.9	L92 L120 S121 S126 R127 Y132 F152	L92-L124 HydrophobicContact CD1-CD2 4.25Å; L92-L124 HydrophobicContact CD2-CD2 3.96Å; L120-L124 HydrophobicContact CD1-CD1 4.21Å; L120-L124 HydrophobicContact CD1-CD2 4.48Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; L120-L124 HydrophobicContact CG-CD1 3.97Å; L120-L124 HydrophobicContact CG-CG 4.27Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 3.27Å; S121-L124 PolarHBondContact O-N 3.01Å; L124-S126 VanDerWaalsContact C-N 3.26Å; L124-S126 PolarHBondContact O-N 3.33Å; L124-R127 PolarHBondContact O-N 3.43Å; L124-Y132 HydrophobicContact CD2-CD2 3.9Å; L124-Y132 HydrophobicContact CD2-CG 4.4Å; L124-F152 HydrophobicContact CD1-CB 4.19Å; L124-F152 HydrophobicContact CD1-CD1 3.99Å; L124-F152 HydrophobicContact CD1-CG 4.37Å
125	Y	98	Very high	97.5	Very high	149 Å²	149	55 Å²	55	58%	0.584	27%	0.267	S	S	*	.	H	α-helix	trans	-67	-25.5	179.5	-161.1	-101	0	0	0	113.2	S121 R127 R128 V155	S121-Y125 WeakPolarHBondContact O-CB 3.41Å; S121-Y125 PolarHBondContact O-N 3.06Å; Y125-R127 PolarHBondContact O-N 2.98Å; Y125-R128 HydrophobicContact CD2-CB 4.43Å; Y125-R128 HydrophobicContact CD2-CG 4.46Å; Y125-R128 HydrophobicContact CE2-CB 4.36Å; Y125-R128 HydrophobicContact CE2-CG 4Å; Y125-R128 VanDerWaalsContact O-CB 3.28Å; Y125-R128 WeakPolarHBondContact O-CB 3.48Å; Y125-R128 PolarHBondContact O-N 2.97Å; Y125-V155 WeakPolarHBondContact CA-O 3.41Å; Y125-V155 WeakPolarHBondContact CD2-O 3.47Å; Y125-V155 PolarHBondContact N-O 3.14Å
126	S	97.6	Very high	97.5	Very high	87 Å²	87	53.7 Å²	53.7	61%	0.608	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.2	177.2	76.5	0	0	0	0	113.8	T122 I123 L124	T122-S126 WeakPolarHBondContact O-CB 3.44Å; T122-S126 PolarHBondContact O-N 3.43Å; I123-S126 WeakPolarHBondContact O-CB 3.49Å; I123-S126 PolarHBondContact O-N 3.28Å; I123-S126 PolarHBondContact O-OG 2.88Å; L124-S126 VanDerWaalsContact C-N 3.26Å; L124-S126 PolarHBondContact O-N 3.33Å
127	R	96.3	Very high	97.6	Very high	85 Å²	85	53.9 Å²	53.9	32%	0.321	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	32.8	175	-59.6	-171.9	76.6	-175.5	6.7	112.3	L124 Y125 F129 F130 P131 Y132	L124-R127 PolarHBondContact O-N 3.43Å; Y125-R127 PolarHBondContact O-N 2.98Å; R127-F129 PolarHBondContact O-N 2.94Å; R127-F130 WeakPolarHBondContact CB-O 3.36Å; R127-F130 CarbonylContact O-C 2.95Å; R127-F130 PolarHBondContact O-N 3.25Å; R127-F130 VanDerWaalsContact O-O 3.07Å; R127-P131 WeakPolarHBondContact O-CA 3.35Å; R127-Y132 HydrophobicContact CB-CE2 4.33Å; R127-Y132 WeakPolarHBondContact CD-OH 2.85Å; R127-Y132 HydrophobicContact CG-CE2 3.93Å
128	R	95.8	Very high	97.6	Very high	110 Å²	110	53.9 Å²	53.9	42%	0.415	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.1	-175.2	179.7	58.8	-175.2	81.4	-1.1	115.5	Y125	Y125-R128 HydrophobicContact CD2-CB 4.43Å; Y125-R128 HydrophobicContact CD2-CG 4.46Å; Y125-R128 HydrophobicContact CE2-CB 4.36Å; Y125-R128 HydrophobicContact CE2-CG 4Å; Y125-R128 VanDerWaalsContact O-CB 3.28Å; Y125-R128 WeakPolarHBondContact O-CB 3.48Å; Y125-R128 PolarHBondContact O-N 2.97Å
129	F	95.9	Very high	97.6	Very high	203 Å²	203	52 Å²	52	89%	0.89	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.4	-179.1	-60.9	-69.9	0	0	0	114.3	R127	R127-F129 PolarHBondContact O-N 2.94Å
130	F	96.7	Very high	97.6	Very high	92 Å²	92	50.8 Å²	50.8	40%	0.404	24%	0.236	S	C	.	.	S	Bend	trans	-147.7	73.1	170.1	-174.6	-98.6	0	0	0	107.8	P32 Y33 R127	P32-F130 HydrophobicContact CB-CE2 4.16Å; P32-F130 HydrophobicContact CB-CZ 3.9Å; P32-F130 HydrophobicContact CG-CE2 3.93Å; P32-F130 HydrophobicContact CG-CZ 4.16Å; Y33-F130 HydrophobicContact CE1-CZ 4.29Å; Y33-F130 HydrophobicContact CE2-CE2 4.4Å; Y33-F130 AromaticContact CZ-CZ 3.89Å; Y33-F130 WeakPolarHBondContact OH-CE2 3.34Å; Y33-F130 WeakPolarHBondContact OH-CZ 3.22Å; R127-F130 WeakPolarHBondContact CB-O 3.36Å; R127-F130 CarbonylContact O-C 2.95Å; R127-F130 PolarHBondContact O-N 3.25Å; R127-F130 VanDerWaalsContact O-O 3.07Å
131	P	97.1	Very high	97.6	Very high	40 Å²	40	51 Å²	51	26%	0.26	24%	0.237	S	C	.	.			trans	-70.1	152.6	-163.2	28.9	-36.1	0	0	0	111.6	Y33 R127 Y133	Y33-P131 PolarHBondContact OH-O 2.88Å; R127-P131 WeakPolarHBondContact O-CA 3.35Å; P131-Y133 PolarHBondContact O-N 2.79Å
132	Y	97.9	Very high	97.4	Very high	13 Å²	13	50.6 Å²	50.6	5%	0.051	23%	0.232	C	C	.	.			trans	-62	133.2	165.1	-65.7	-77.2	0	0	0	109.2	D88 T91 L92 I95 I123 L124 R127 V134 P154	D88-Y132 HydrophobicContact CB-CD1 3.95Å; D88-Y132 WeakPolarHBondContact OD2-CA 3.44Å; T91-Y132 HydrophobicContact CG2-CE1 4.44Å; L92-Y132 HydrophobicContact CD1-CE2 4.37Å; I95-Y132 WeakPolarHBondContact CD1-OH 3.31Å; I123-Y132 HydrophobicContact CG2-CE2 4.46Å; L124-Y132 HydrophobicContact CD2-CD2 3.9Å; L124-Y132 HydrophobicContact CD2-CG 4.4Å; R127-Y132 HydrophobicContact CB-CE2 4.33Å; R127-Y132 WeakPolarHBondContact CD-OH 2.85Å; R127-Y132 HydrophobicContact CG-CE2 3.93Å; Y132-V134 VanDerWaalsContact C-N 3.25Å; Y132-V134 PolarHBondContact O-N 2.89Å; Y132-V134 VanDerWaalsContact O-N 3.12Å; Y132-P154 WeakPolarHBondContact O-CB 3.42Å
133	Y	97.7	Very high	97.2	Very high	75 Å²	75	54.4 Å²	54.4	29%	0.294	24%	0.244	S	C	.	.			trans	-89.8	64.9	174.5	-171.9	-129.6	0	0	0	110.7	F35 F85 D88 P131 Y135	F35-Y133 HydrophobicContact CD2-CE1 4Å; F85-Y133 HydrophobicContact CB-CD1 3.9Å; F85-Y133 HydrophobicContact CB-CG 4.45Å; F85-Y133 PolarHBondContact N-O 3.46Å; D88-Y133 PolarHBondContact OD2-N 2.82Å; P131-Y133 PolarHBondContact O-N 2.79Å; Y133-Y135 HydrophobicContact CE2-CE2 4.12Å
134	V	97.3	Very high	97	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.7	-175.5	-173.6	0	0	0	0	110.5	C82 S83 D88 L92 Y132 N136	C82-V134 HydrophobicContact CB-CG1 3.94Å; S83-V134 CarbonylContact O-C 3.57Å; S83-V134 WeakPolarHBondContact O-CA 3.49Å; S83-V134 WeakPolarHBondContact O-CG1 3.21Å; D88-V134 HydrophobicContact CB-CG2 3.39Å; L92-V134 HydrophobicContact CD2-CB 4.43Å; L92-V134 HydrophobicContact CD2-CG1 4.32Å; Y132-V134 VanDerWaalsContact C-N 3.25Å; Y132-V134 PolarHBondContact O-N 2.89Å; Y132-V134 VanDerWaalsContact O-N 3.12Å; V134-N136 WeakPolarHBondContact CG1-OD1 3.43Å
135	Y	97.4	Very high	96.8	Very high	92 Å²	92	61.4 Å²	61.4	36%	0.361	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.8	166.7	-61.7	-85.8	0	0	0	108.4	S83 Y133 P154	S83-Y135 PolarHBondContact N-O 3.47Å; S83-Y135 PolarHBondContact O-N 3.44Å; S83-Y135 PolarHBondContact OG-O 3.1Å; Y133-Y135 HydrophobicContact CE2-CE2 4.12Å; Y135-P154 HydrophobicContact CD1-CG 4.06Å; Y135-P154 HydrophobicContact CE1-CG 3.6Å; Y135-P154 HydrophobicContact CE2-CG 4.38Å
136	N	98.1	Very high	96.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.8	-176.1	-61.3	-77.4	0	0	0	110.5	I80 G81 C82 L92 L120 V134 F152	I80-N136 HydrophobicContact CD1-CB 4.29Å; G81-N136 WeakPolarHBondContact O-CA 3.33Å; C82-N136 PolarHBondContact SG-OD1 3.4Å; L92-N136 WeakPolarHBondContact CD2-ND2 3.14Å; L92-N136 WeakPolarHBondContact CD2-OD1 3.42Å; L120-N136 HydrophobicContact CD2-CB 3.99Å; V134-N136 WeakPolarHBondContact CG1-OD1 3.43Å; N136-F152 HydrophobicContact CB-CB 4.09Å; N136-F152 HydrophobicContact CB-CD2 4.14Å; N136-F152 HydrophobicContact CB-CG 4.32Å; N136-F152 PolarHBondContact O-N 3.49Å
137	I	98.5	Very high	96.7	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.8	169	-59.9	178.8	0	0	0	107.3	V40 A42 I80 G81 V149 Y150 K164	V40-I137 HydrophobicContact CB-CD1 4.41Å; V40-I137 HydrophobicContact CG1-CB 4.14Å; V40-I137 HydrophobicContact CG1-CD1 4.1Å; V40-I137 HydrophobicContact CG1-CG1 4.43Å; A42-I137 HydrophobicContact CB-CG2 3.44Å; A42-I137 VanDerWaalsContact CB-CG2 3.44Å; I80-I137 CarbonylContact C-O 3.57Å; I80-I137 WeakPolarHBondContact CA-O 3.31Å; G81-I137 PolarHBondContact N-O 3.47Å; G81-I137 PolarHBondContact O-N 2.76Å; I137-V149 HydrophobicContact CG2-CG1 3.86Å; I137-Y150 WeakPolarHBondContact CA-O 3.31Å; I137-K164 HydrophobicContact CD1-CB 4.25Å; I137-K164 HydrophobicContact CD1-CG 4.31Å
138	I	98.6	Very high	96.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.9	172.7	-64.9	175.8	0	0	0	107.6	T78 I80 T113 I116 A117 L120 V149 Y150 F152	T78-I138 HydrophobicContact CG2-CG2 3.6Å; I80-I138 HydrophobicContact CB-CG1 4.3Å; I80-I138 HydrophobicContact CD1-CG1 4.09Å; I80-I138 HydrophobicContact CG1-CG1 3.93Å; T113-I138 HydrophobicContact CG2-CG2 3.77Å; I116-I138 HydrophobicContact CG2-CD1 3.93Å; A117-I138 HydrophobicContact CB-CD1 4.45Å; L120-I138 HydrophobicContact CB-CD1 4.45Å; L120-I138 HydrophobicContact CD2-CD1 3.74Å; L120-I138 HydrophobicContact CD2-CG1 4.31Å; I138-V149 CarbonylContact O-C 3.52Å; I138-V149 VanDerWaalsContact O-CA 3.28Å; I138-V149 WeakPolarHBondContact O-CA 3.36Å; I138-Y150 PolarHBondContact N-O 2.67Å; I138-Y150 PolarHBondContact O-N 3.04Å; I138-F152 HydrophobicContact CB-CE2 4.39Å; I138-F152 HydrophobicContact CD1-CE2 3.7Å; I138-F152 HydrophobicContact CD1-CZ 3.99Å; I138-F152 HydrophobicContact CG1-CE2 3.95Å
139	G	98.3	Very high	96.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138	170.9	0	0	0	0	0	110.6	V79 A148	V79-G139 PolarHBondContact N-O 2.91Å; V79-G139 PolarHBondContact O-N 3.48Å; V79-G139 VanDerWaalsContact O-O 3.07Å; G139-A148 WeakPolarHBondContact CA-O 3.49Å
140	G	97.8	Very high	97.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-170.2	178.8	0	0	0	0	0	112.5	A49 K77 A148	A49-G140 WeakPolarHBondContact CB-O 3.47Å; K77-G140 CarbonylContact O-C 3.56Å; K77-G140 WeakPolarHBondContact O-CA 3.38Å; G140-A148 PolarHBondContact N-O 3.16Å; G140-A148 PolarHBondContact O-N 2.95Å
141	L	97.9	Very high	97.1	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.5	171.7	-60.8	-179.2	0	0	0	110.5	K77 T113 K146 V226 T227 K228	K77-L141 PolarHBondContact O-N 2.87Å; T113-L141 WeakPolarHBondContact CB-O 3.28Å; T113-L141 PolarHBondContact OG1-O 3.32Å; L141-K146 WeakPolarHBondContact CA-O 3.41Å; L141-V226 HydrophobicContact CG-CG1 4.26Å; L141-T227 VanDerWaalsContact CD1-C 3.46Å; L141-K228 HydrophobicContact CD1-CG 3.91Å
142	D	95.4	Very high	97.2	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	15%	0.147	C	C	.	.			trans	-79.3	-175.5	168	66.5	18.3	0	0	0	111.8	E144 G145 K146 A148 R160	D142-E144 VanDerWaalsContact C-N 3.26Å; D142-E144 PolarHBondContact O-N 3.37Å; D142-E144 WeakPolarHBondContact OD1-CA 3.4Å; D142-E144 WeakPolarHBondContact OD1-CB 3.46Å; D142-E144 PolarHBondContact OD1-N 2.66Å; D142-G145 PolarHBondContact O-N 2.96Å; D142-G145 VanDerWaalsContact O-N 3.13Å; D142-G145 PolarHBondContact OD1-N 2.76Å; D142-K146 PolarHBondContact N-O 2.78Å; D142-K146 PolarHBondContact OD1-N 3.44Å; D142-A148 HydrophobicContact CB-CB 4.33Å; D142-R160 IonicContact OD2-CZ 2.89Å; D142-R160 IonicContact OD2-NH1 3.54Å; D142-R160 PolarHBondContact OD2-NH1 3.45Å; D142-R160 IonicContact OD2-NH2 3.67Å; D142-R160 PolarHBondContact OD2-NH2 3.49Å
143	E	92.6	Very high	97.1	Very high	164 Å²	164	34 Å²	34	77%	0.766	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.9	179.6	-65.9	-166.9	132	0	0	112.9	T112 G145	T112-E143 HydrophobicContact CG2-CG 3.65Å; T112-E143 WeakPolarHBondContact CG2-OE1 3.47Å; E143-G145 PolarHBondContact O-N 2.83Å
144	E	93.9	Very high	97.1	Very high	140 Å²	140	31.6 Å²	31.6	65%	0.654	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.3	172.9	-61.6	179.5	-169.2	0	0	111.9	D142 K146	D142-E144 VanDerWaalsContact C-N 3.26Å; D142-E144 PolarHBondContact O-N 3.37Å; D142-E144 WeakPolarHBondContact OD1-CA 3.4Å; D142-E144 WeakPolarHBondContact OD1-CB 3.46Å; D142-E144 PolarHBondContact OD1-N 2.66Å; E144-K146 HydrophobicContact CB-CG 4.42Å; E144-K146 IonicContact OE2-NZ 3.74Å; E144-K146 PolarHBondContact OE2-NZ 2.91Å
145	G	93.8	Very high	97	Very high	11 Å²	11	33.6 Å²	33.6	11%	0.113	17%	0.165	C	C	.	.	S	Bend	trans	78.2	20.5	-176.6	0	0	0	0	0	113.5	D142 E143	D142-G145 PolarHBondContact O-N 2.96Å; D142-G145 VanDerWaalsContact O-N 3.13Å; D142-G145 PolarHBondContact OD1-N 2.76Å; E143-G145 PolarHBondContact O-N 2.83Å
146	K	96.8	Very high	96.9	Very high	82 Å²	82	29.3 Å²	29.3	36%	0.357	15%	0.15	S	C	.	.			trans	-92.3	151.5	173.3	-65.4	177.3	178.6	156.8	0	111.5	E46 L141 D142 E144 A148	E46-K146 VanDerWaalsContact O-CA 3.29Å; E46-K146 WeakPolarHBondContact O-CA 3.37Å; L141-K146 WeakPolarHBondContact CA-O 3.41Å; D142-K146 PolarHBondContact N-O 2.78Å; D142-K146 PolarHBondContact OD1-N 3.44Å; E144-K146 HydrophobicContact CB-CG 4.42Å; E144-K146 IonicContact OE2-NZ 3.74Å; E144-K146 PolarHBondContact OE2-NZ 2.91Å; K146-A148 PolarHBondContact O-N 2.88Å
147	G	97.2	Very high	96.9	Very high	8 Å²	8	33 Å²	33	8%	0.082	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	133	173	0	0	0	0	0	111.5	G45 F48 R160	G45-G147 WeakPolarHBondContact O-CA 3.35Å; G45-G147 PolarHBondContact O-N 2.78Å; F48-G147 WeakPolarHBondContact O-CA 3.14Å; G147-R160 PolarHBondContact O-NH2 2.69Å
148	A	97.9	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	123.2	174.7	0	0	0	0	0	109.6	G139 G140 D142 K146 Y150	G139-A148 WeakPolarHBondContact CA-O 3.49Å; G140-A148 PolarHBondContact N-O 3.16Å; G140-A148 PolarHBondContact O-N 2.95Å; D142-A148 HydrophobicContact CB-CB 4.33Å; K146-A148 PolarHBondContact O-N 2.88Å; A148-Y150 HydrophobicContact CB-CE2 3.94Å
149	V	98.5	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.4	172.6	172.6	0	0	0	0	109	A42 A44 I137 I138 R160 D161 K164	A42-V149 HydrophobicContact CB-CB 4.47Å; A42-V149 HydrophobicContact CB-CG1 3.85Å; A42-V149 HydrophobicContact CB-CG2 3.71Å; A44-V149 HydrophobicContact CB-CG2 4.04Å; I137-V149 HydrophobicContact CG2-CG1 3.86Å; I138-V149 CarbonylContact O-C 3.52Å; I138-V149 VanDerWaalsContact O-CA 3.28Å; I138-V149 WeakPolarHBondContact O-CA 3.36Å; V149-R160 WeakPolarHBondContact O-CA 3.38Å; V149-D161 WeakPolarHBondContact CB-O 3.5Å; V149-D161 PolarHBondContact O-N 3.06Å; V149-K164 HydrophobicContact CG1-CB 4.33Å
150	Y	98.6	Very high	96.8	Very high	28 Å²	28	48.3 Å²	48.3	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.1	173.9	-61.9	-86.2	0	0	0	109.4	T113 A117 I137 I138 A148 Y158 Q159 R160	T113-Y150 HydrophobicContact CG2-CD2 4.15Å; T113-Y150 HydrophobicContact CG2-CE2 3.96Å; A117-Y150 HydrophobicContact CB-CD1 3.93Å; A117-Y150 HydrophobicContact CB-CD2 3.86Å; A117-Y150 HydrophobicContact CB-CE1 4.29Å; A117-Y150 HydrophobicContact CB-CE2 4.25Å; A117-Y150 HydrophobicContact CB-CG 3.68Å; I137-Y150 WeakPolarHBondContact CA-O 3.31Å; I138-Y150 PolarHBondContact N-O 2.67Å; I138-Y150 PolarHBondContact O-N 3.04Å; A148-Y150 HydrophobicContact CB-CE2 3.94Å; Y150-Y158 AromaticContact CD1-CD2 3.87Å; Y150-Y158 HydrophobicContact CD1-CD2 3.87Å; Y150-Y158 HydrophobicContact CD1-CE2 4.13Å; Y150-Y158 HydrophobicContact CE1-CE2 4.37Å; Y150-Q159 WeakPolarHBondContact CA-O 3.25Å; Y150-R160 HydrophobicContact CD1-CB 4.07Å; Y150-R160 HydrophobicContact CE1-CB 3.75Å; Y150-R160 HydrophobicContact CE1-CG 4.08Å
151	S	97.9	Very high	96.8	Very high	13 Å²	13	49.9 Å²	49.9	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143	176.4	67	0	0	0	0	110.5	Y158 Q159 D161	S151-Y158 WeakPolarHBondContact O-CA 3.34Å; S151-Y158 VanDerWaalsContact O-CB 3.29Å; S151-Y158 WeakPolarHBondContact O-CB 3.28Å; S151-Q159 PolarHBondContact N-O 3.39Å; S151-Q159 PolarHBondContact O-N 3.33Å; S151-D161 WeakPolarHBondContact CB-OD2 3.48Å; S151-D161 PolarHBondContact OG-OD2 2.6Å
152	F	98.3	Very high	96.8	Very high	14 Å²	14	53.5 Å²	53.5	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.2	-177.8	-66.1	-98.2	0	0	0	111.4	A117 L120 L124 N136 I138 S157 Y158	A117-F152 HydrophobicContact CB-CZ 3.84Å; A117-F152 WeakPolarHBondContact O-CE1 3.43Å; L120-F152 HydrophobicContact CB-CE1 4.01Å; L120-F152 HydrophobicContact CB-CZ 4.17Å; L120-F152 HydrophobicContact CD2-CD1 4.15Å; L120-F152 HydrophobicContact CD2-CD2 4Å; L120-F152 HydrophobicContact CD2-CE1 4.05Å; L120-F152 HydrophobicContact CD2-CE2 3.91Å; L120-F152 HydrophobicContact CD2-CG 4.14Å; L120-F152 HydrophobicContact CD2-CZ 3.95Å; L120-F152 HydrophobicContact CG-CD1 4.21Å; L120-F152 HydrophobicContact CG-CE1 4.03Å; L120-F152 HydrophobicContact CG-CZ 4.33Å; L124-F152 HydrophobicContact CD1-CB 4.19Å; L124-F152 HydrophobicContact CD1-CD1 3.99Å; L124-F152 HydrophobicContact CD1-CG 4.37Å; N136-F152 HydrophobicContact CB-CB 4.09Å; N136-F152 HydrophobicContact CB-CD2 4.14Å; N136-F152 HydrophobicContact CB-CG 4.32Å; N136-F152 PolarHBondContact O-N 3.49Å; I138-F152 HydrophobicContact CB-CE2 4.39Å; I138-F152 HydrophobicContact CD1-CE2 3.7Å; I138-F152 HydrophobicContact CD1-CZ 3.99Å; I138-F152 HydrophobicContact CG1-CE2 3.95Å; F152-S157 WeakPolarHBondContact CA-O 3.25Å; F152-Y158 VanDerWaalsContact CD1-CB 3.49Å; F152-Y158 HydrophobicContact CD1-CG 4.29Å; F152-Y158 AromaticContact CE1-CD1 3.98Å; F152-Y158 HydrophobicContact CE1-CD1 3.98Å; F152-Y158 HydrophobicContact CE1-CD2 4.36Å; F152-Y158 AromaticContact CE1-CG 3.65Å; F152-Y158 HydrophobicContact CE1-CG 3.65Å; F152-Y158 HydrophobicContact CZ-CD2 4.25Å; F152-Y158 AromaticContact CZ-CG 3.98Å; F152-Y158 HydrophobicContact CZ-CG 3.98Å
153	D	97	Very high	96.9	Very high	57 Å²	57	53.6 Å²	53.6	31%	0.305	27%	0.271	S	S	.	.			trans	-86.4	166.8	160.3	72.5	9.6	0	0	0	111.1	V155 G156 S157	D153-V155 VanDerWaalsContact CG-CG2 3.49Å; D153-V155 PolarHBondContact O-N 3.11Å; D153-V155 VanDerWaalsContact OD1-CG2 3.22Å; D153-V155 WeakPolarHBondContact OD1-CG2 3.42Å; D153-V155 PolarHBondContact OD1-N 2.69Å; D153-V155 VanDerWaalsContact OD1-N 3.13Å; D153-V155 VanDerWaalsContact OD2-CG2 3.31Å; D153-V155 WeakPolarHBondContact OD2-CG2 3.48Å; D153-G156 PolarHBondContact O-N 2.71Å; D153-G156 PolarHBondContact OD1-N 3.46Å; D153-S157 PolarHBondContact N-O 3.22Å; D153-S157 VanDerWaalsContact N-O 3.12Å; D153-S157 PolarHBondContact OD1-N 3.33Å; D153-S157 WeakPolarHBondContact OD2-CB 3.37Å
154	P	96.3	Very high	97.1	Very high	25 Å²	25	48.7 Å²	48.7	16%	0.162	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.4	-179.9	-27.6	37.8	0	0	0	115.3	Y132 Y135	Y132-P154 WeakPolarHBondContact O-CB 3.42Å; Y135-P154 HydrophobicContact CD1-CG 4.06Å; Y135-P154 HydrophobicContact CE1-CG 3.6Å; Y135-P154 HydrophobicContact CE2-CG 4.38Å
155	V	95.6	Very high	97.3	Very high	42 Å²	42	42.2 Å²	42.2	26%	0.255	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-7.3	-178.2	-63.8	0	0	0	0	113.3	Y125 D153	Y125-V155 WeakPolarHBondContact CA-O 3.41Å; Y125-V155 WeakPolarHBondContact CD2-O 3.47Å; Y125-V155 PolarHBondContact N-O 3.14Å; D153-V155 VanDerWaalsContact CG-CG2 3.49Å; D153-V155 PolarHBondContact O-N 3.11Å; D153-V155 VanDerWaalsContact OD1-CG2 3.22Å; D153-V155 WeakPolarHBondContact OD1-CG2 3.42Å; D153-V155 PolarHBondContact OD1-N 2.69Å; D153-V155 VanDerWaalsContact OD1-N 3.13Å; D153-V155 VanDerWaalsContact OD2-CG2 3.31Å; D153-V155 WeakPolarHBondContact OD2-CG2 3.48Å
156	G	95.1	Very high	97.5	Very high	3 Å²	3	42 Å²	42	3%	0.031	22%	0.216	C	C	.	.	S	Bend	trans	104.6	7.2	171.9	0	0	0	0	0	115.6	S121 D153	S121-G156 WeakPolarHBondContact CA-O 3.43Å; S121-G156 WeakPolarHBondContact CB-O 3.48Å; S121-G156 PolarHBondContact OG-O 3.03Å; D153-G156 PolarHBondContact O-N 2.71Å; D153-G156 PolarHBondContact OD1-N 3.46Å
157	S	97.9	Very high	97.4	Very high	78 Å²	78	39.1 Å²	39.1	55%	0.545	21%	0.209	S	C	.	.			trans	-67	139.4	166.1	-168	0	0	0	0	109.5	F152 D153	F152-S157 WeakPolarHBondContact CA-O 3.25Å; D153-S157 PolarHBondContact N-O 3.22Å; D153-S157 VanDerWaalsContact N-O 3.12Å; D153-S157 PolarHBondContact OD1-N 3.33Å; D153-S157 WeakPolarHBondContact OD2-CB 3.37Å
158	Y	98.4	Very high	97.4	Very high	91 Å²	91	40.2 Å²	40.2	36%	0.357	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.6	179.9	76.1	-80.7	0	0	0	112.5	A117 Y150 S151 F152	A117-Y158 HydrophobicContact CB-CD2 4.25Å; A117-Y158 HydrophobicContact CB-CE2 4.09Å; Y150-Y158 AromaticContact CD1-CD2 3.87Å; Y150-Y158 HydrophobicContact CD1-CD2 3.87Å; Y150-Y158 HydrophobicContact CD1-CE2 4.13Å; Y150-Y158 HydrophobicContact CE1-CE2 4.37Å; S151-Y158 WeakPolarHBondContact O-CA 3.34Å; S151-Y158 VanDerWaalsContact O-CB 3.29Å; S151-Y158 WeakPolarHBondContact O-CB 3.28Å; F152-Y158 VanDerWaalsContact CD1-CB 3.49Å; F152-Y158 HydrophobicContact CD1-CG 4.29Å; F152-Y158 AromaticContact CE1-CD1 3.98Å; F152-Y158 HydrophobicContact CE1-CD1 3.98Å; F152-Y158 HydrophobicContact CE1-CD2 4.36Å; F152-Y158 AromaticContact CE1-CG 3.65Å; F152-Y158 HydrophobicContact CE1-CG 3.65Å; F152-Y158 HydrophobicContact CZ-CD2 4.25Å; F152-Y158 AromaticContact CZ-CG 3.98Å; F152-Y158 HydrophobicContact CZ-CG 3.98Å
159	Q	97.9	Very high	97.4	Very high	106 Å²	106	40.2 Å²	40.2	50%	0.495	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158.3	174.4	64.4	-177.7	27.5	0	0	110.2	Y150 S151 D161	Y150-Q159 WeakPolarHBondContact CA-O 3.25Å; S151-Q159 PolarHBondContact N-O 3.39Å; S151-Q159 PolarHBondContact O-N 3.33Å; Q159-D161 PolarHBondContact NE2-OD1 2.79Å; Q159-D161 PolarHBondContact NE2-OD2 3.32Å
160	R	98.1	Very high	97.4	Very high	129 Å²	129	42 Å²	42	49%	0.487	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.6	171.4	-172.7	179.2	179.3	166.7	5.3	108.5	D142 G147 V149 Y150	D142-R160 IonicContact OD2-CZ 2.89Å; D142-R160 IonicContact OD2-NH1 3.54Å; D142-R160 PolarHBondContact OD2-NH1 3.45Å; D142-R160 IonicContact OD2-NH2 3.67Å; D142-R160 PolarHBondContact OD2-NH2 3.49Å; G147-R160 PolarHBondContact O-NH2 2.69Å; V149-R160 WeakPolarHBondContact O-CA 3.38Å; Y150-R160 HydrophobicContact CD1-CB 4.07Å; Y150-R160 HydrophobicContact CE1-CB 3.75Å; Y150-R160 HydrophobicContact CE1-CG 4.08Å
161	D	97.5	Very high	97.3	Very high	33 Å²	33	44.6 Å²	44.6	18%	0.176	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158.1	178.9	-65.6	-50.1	0	0	0	110.2	V149 S151 Q159	V149-D161 WeakPolarHBondContact CB-O 3.5Å; V149-D161 PolarHBondContact O-N 3.06Å; S151-D161 WeakPolarHBondContact CB-OD2 3.48Å; S151-D161 PolarHBondContact OG-OD2 2.6Å; Q159-D161 PolarHBondContact NE2-OD1 2.79Å; Q159-D161 PolarHBondContact NE2-OD2 3.32Å
162	S	96.9	Very high	97.3	Very high	79 Å²	79	48.2 Å²	48.2	55%	0.552	27%	0.272	S	S	*	.	S	Bend	trans	-78.3	-29.9	169.4	-53.3	0	0	0	0	112	A44	A44-S162 WeakPolarHBondContact CB-O 3.08Å; A44-S162 PolarHBondContact N-O 2.9Å
163	F	97.9	Very high	97.3	Very high	22 Å²	22	47.6 Å²	47.6	10%	0.096	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	148.2	176.7	52.4	-93	0	0	0	110	A42 I43 L177 V181	A42-F163 CarbonylContact O-C 3.59Å; A42-F163 VanDerWaalsContact O-CA 3.22Å; A42-F163 WeakPolarHBondContact O-CA 3.44Å; I43-F163 HydrophobicContact CG1-CB 4.19Å; F163-L177 HydrophobicContact CB-CD1 4.32Å; F163-L177 HydrophobicContact CD2-CB 3.42Å; F163-L177 VanDerWaalsContact CD2-CB 3.42Å; F163-L177 HydrophobicContact CD2-CD1 3.95Å; F163-L177 HydrophobicContact CD2-CG 4.33Å; F163-L177 HydrophobicContact CE2-CB 3.63Å; F163-L177 HydrophobicContact CG-CB 4.14Å; F163-L177 HydrophobicContact CG-CD1 4.49Å; F163-L177 HydrophobicContact CZ-CB 4.48Å; F163-V181 HydrophobicContact CD1-CB 3.81Å; F163-V181 HydrophobicContact CD1-CG1 3.49Å; F163-V181 VanDerWaalsContact CD1-CG1 3.49Å; F163-V181 HydrophobicContact CE1-CB 3.79Å; F163-V181 HydrophobicContact CE1-CG1 3.72Å; F163-V181 HydrophobicContact CG-CG1 4.46Å; F163-V181 HydrophobicContact CZ-CB 4.49Å
164	K	98.4	Very high	97.3	Very high	62 Å²	62	46.6 Å²	46.6	27%	0.27	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	142.2	175.2	-160.7	77.9	172.1	-172	0	111.2	L41 A42 I137 V149	L41-K164 CarbonylContact C-O 3.57Å; L41-K164 WeakPolarHBondContact CA-O 3.35Å; A42-K164 PolarHBondContact N-O 2.85Å; A42-K164 PolarHBondContact O-N 3.24Å; I137-K164 HydrophobicContact CD1-CB 4.25Å; I137-K164 HydrophobicContact CD1-CG 4.31Å; V149-K164 HydrophobicContact CG1-CB 4.33Å
165	A	97.9	Very high	97.4	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.8	165	0	0	0	0	0	111	V40 S170 L173 Q174	V40-A165 CarbonylContact O-C 3.53Å; V40-A165 WeakPolarHBondContact O-CA 3.37Å; A165-S170 PolarHBondContact O-OG 2.79Å; A165-L173 HydrophobicContact CB-CB 3.57Å; A165-L173 HydrophobicContact CB-CD1 4.09Å; A165-L173 HydrophobicContact CB-CG 4.47Å; A165-Q174 VanDerWaalsContact N-OE1 3.09Å
166	G	96.7	Very high	97.5	Very high	8 Å²	8	50.1 Å²	50.1	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	165.9	-179.7	0	0	0	0	0	111.2	V40	V40-G166 PolarHBondContact N-O 3.38Å; V40-G166 PolarHBondContact O-N 3Å; V40-G166 VanDerWaalsContact O-O 3.11Å
167	G	96.2	Very high	97.6	Very high	20 Å²	20	50 Å²	50	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.8	-158.3	-175.4	0	0	0	0	0	113.1	G38 S83 S170	G38-G167 VanDerWaalsContact O-CA 3.23Å; G38-G167 WeakPolarHBondContact O-CA 3.37Å; S83-G167 WeakPolarHBondContact OG-CA 3.42Å; S83-G167 PolarHBondContact OG-N 3.35Å; G167-S170 WeakPolarHBondContact O-CB 3.45Å; G167-S170 PolarHBondContact O-N 3.1Å
168	S	97.1	Very high	97.6	Very high	32 Å²	32	48.1 Å²	48.1	22%	0.224	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-46.7	-171.9	52.4	0	0	0	0	113.3	G38 T39 S170 D214 Y216	G38-S168 PolarHBondContact O-N 3.42Å; T39-S168 PolarHBondContact OG1-OG 3.12Å; T39-S168 VanDerWaalsContact OG1-OG 3.12Å; S168-S170 VanDerWaalsContact C-N 3.29Å; S168-S170 PolarHBondContact O-N 3.12Å; S168-D214 VanDerWaalsContact CB-OD2 3.29Å; S168-D214 WeakPolarHBondContact CB-OD2 3.29Å; S168-D214 PolarHBondContact OG-OD2 2.93Å; S168-Y216 WeakPolarHBondContact OG-CB 3.19Å
169	A	97.5	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	14.7	-178.4	0	0	0	0	0	114	T39 A171 M172 L173 A210 D214	T39-A169 HydrophobicContact CG2-CB 3.92Å; T39-A169 WeakPolarHBondContact OG1-CB 3.31Å; T39-A169 PolarHBondContact OG1-N 3.45Å; T39-A169 VanDerWaalsContact OG1-N 3.1Å; A169-A171 VanDerWaalsContact C-N 3.28Å; A169-A171 PolarHBondContact O-N 2.78Å; A169-M172 HydrophobicContact CB-SD 4.49Å; A169-M172 PolarHBondContact O-N 3.29Å; A169-L173 HydrophobicContact CB-CG 4.45Å; A169-L173 WeakPolarHBondContact O-CG 3.39Å; A169-L173 PolarHBondContact O-N 3.05Å; A169-A210 HydrophobicContact CB-CB 3.99Å; A169-D214 HydrophobicContact CB-CB 3.98Å; A169-D214 PolarHBondContact N-OD2 3.06Å
170	S	97.4	Very high	97.3	Very high	36 Å²	36	44.8 Å²	44.8	25%	0.252	26%	0.255	S	S	.	.	H	α-helix	trans	-51.7	-46.1	-179.1	175.3	0	0	0	0	112.5	A165 G167 S168 M172 L173 Q174	A165-S170 PolarHBondContact O-OG 2.79Å; G167-S170 WeakPolarHBondContact O-CB 3.45Å; G167-S170 PolarHBondContact O-N 3.1Å; S168-S170 VanDerWaalsContact C-N 3.29Å; S168-S170 PolarHBondContact O-N 3.12Å; S170-M172 VanDerWaalsContact C-N 3.26Å; S170-M172 PolarHBondContact O-N 2.88Å; S170-L173 PolarHBondContact O-N 3.37Å; S170-Q174 VanDerWaalsContact O-CB 3.29Å; S170-Q174 WeakPolarHBondContact O-CB 3.34Å; S170-Q174 PolarHBondContact O-N 2.99Å
171	A	97.6	Very high	97.1	Very high	83 Å²	83	39.8 Å²	39.8	69%	0.686	24%	0.239	S	C	*	.	H	α-helix	trans	-67.4	-23.1	-179.8	0	0	0	0	0	114	A169 P175	A169-A171 VanDerWaalsContact C-N 3.28Å; A169-A171 PolarHBondContact O-N 2.78Å; A171-P175 WeakPolarHBondContact O-CD 3.36Å; A171-P175 WeakPolarHBondContact O-CG 3.44Å
172	M	97.7	Very high	97	Very high	89 Å²	89	39.5 Å²	39.5	44%	0.438	24%	0.243	S	C	.	.	H	α-helix	trans	-84.3	-38.7	177.6	-57.7	-175.1	-173.6	0	0	111.5	A169 S170 R213 D214	A169-M172 HydrophobicContact CB-SD 4.49Å; A169-M172 PolarHBondContact O-N 3.29Å; S170-M172 VanDerWaalsContact C-N 3.26Å; S170-M172 PolarHBondContact O-N 2.88Å; M172-R213 HydrophobicContact CE-CB 4.01Å; M172-R213 HydrophobicContact SD-CB 3.76Å; M172-D214 HydrophobicContact CE-CB 3.97Å; M172-D214 HydrophobicContact SD-CB 4Å
173	L	97.9	Very high	96.9	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-79.4	-40.6	-176.1	-65	-178.6	0	0	0	112.7	T39 L41 A165 A169 S170 L176 L177 V206 F207 A210	T39-L173 HydrophobicContact CG2-CD1 3.36Å; L41-L173 HydrophobicContact CB-CD1 4.44Å; L41-L173 HydrophobicContact CD1-CB 4.36Å; L41-L173 HydrophobicContact CD1-CD1 3.94Å; A165-L173 HydrophobicContact CB-CB 3.57Å; A165-L173 HydrophobicContact CB-CD1 4.09Å; A165-L173 HydrophobicContact CB-CG 4.47Å; A169-L173 HydrophobicContact CB-CG 4.45Å; A169-L173 WeakPolarHBondContact O-CG 3.39Å; A169-L173 PolarHBondContact O-N 3.05Å; S170-L173 PolarHBondContact O-N 3.37Å; L173-L176 PolarHBondContact O-N 3.37Å; L173-L177 PolarHBondContact O-N 2.98Å; L173-V206 HydrophobicContact CD2-CB 3.6Å; L173-V206 HydrophobicContact CD2-CG2 3.67Å; L173-V206 WeakPolarHBondContact CD2-O 3.42Å; L173-F207 HydrophobicContact CD1-CZ 4.47Å; L173-A210 HydrophobicContact CD2-CB 3.9Å; L173-A210 HydrophobicContact CG-CB 4.44Å
174	Q	98	Very high	96.7	Very high	36 Å²	36	41.4 Å²	41.4	17%	0.168	24%	0.242	C	C	.	.	H	α-helix	trans	-57.9	-46.3	-171.8	-169.1	64.9	56.3	0	0	113.6	A165 S170 L176 L177 D178	A165-Q174 VanDerWaalsContact N-OE1 3.09Å; S170-Q174 VanDerWaalsContact O-CB 3.29Å; S170-Q174 WeakPolarHBondContact O-CB 3.34Å; S170-Q174 PolarHBondContact O-N 2.99Å; Q174-L176 VanDerWaalsContact C-N 3.29Å; Q174-L176 PolarHBondContact O-N 2.78Å; Q174-L177 PolarHBondContact O-N 3.45Å; Q174-D178 PolarHBondContact O-N 3.25Å
175	P	98.1	Very high	96.5	Very high	79 Å²	79	46.8 Å²	46.8	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-31.6	179.8	-21.6	34.6	0	0	0	113.5	A171 D178 N179	A171-P175 WeakPolarHBondContact O-CD 3.36Å; A171-P175 WeakPolarHBondContact O-CG 3.44Å; P175-D178 PolarHBondContact O-N 3.28Å; P175-N179 PolarHBondContact O-N 3.44Å; P175-N179 VanDerWaalsContact O-N 3.16Å
176	L	97.1	Very high	96.3	Very high	61 Å²	61	49.8 Å²	49.8	32%	0.319	29%	0.288	S	S	.	.	H	α-helix	trans	-71.3	-37.3	179.3	-173.5	52.9	0	0	0	111.2	L173 Q174 N179 Q180 V206	L173-L176 PolarHBondContact O-N 3.37Å; Q174-L176 VanDerWaalsContact C-N 3.29Å; Q174-L176 PolarHBondContact O-N 2.78Å; L176-N179 PolarHBondContact O-N 3.19Å; L176-Q180 HydrophobicContact CD1-CG 4.06Å; L176-Q180 WeakPolarHBondContact O-CB 3.33Å; L176-Q180 WeakPolarHBondContact O-CG 3.39Å; L176-Q180 PolarHBondContact O-N 3.33Å; L176-V206 HydrophobicContact CB-CG1 4.46Å; L176-V206 HydrophobicContact CD2-CB 4.03Å; L176-V206 HydrophobicContact CD2-CG1 3.3Å; L176-V206 HydrophobicContact CG-CG1 3.8Å
177	L	96.9	Very high	96.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-69.2	-39.7	172.6	-59.2	174.1	0	0	0	111.9	L41 I43 F163 L173 Q174 N179 Q180 V181 G182 L202	L41-L177 HydrophobicContact CD1-CD1 3.73Å; L41-L177 HydrophobicContact CD1-CD2 4.27Å; L41-L177 HydrophobicContact CD1-CG 4.38Å; L41-L177 HydrophobicContact CG-CD1 4.19Å; I43-L177 HydrophobicContact CD1-CD2 3.97Å; F163-L177 HydrophobicContact CB-CD1 4.32Å; F163-L177 HydrophobicContact CD2-CB 3.42Å; F163-L177 VanDerWaalsContact CD2-CB 3.42Å; F163-L177 HydrophobicContact CD2-CD1 3.95Å; F163-L177 HydrophobicContact CD2-CG 4.33Å; F163-L177 HydrophobicContact CE2-CB 3.63Å; F163-L177 HydrophobicContact CG-CB 4.14Å; F163-L177 HydrophobicContact CG-CD1 4.49Å; F163-L177 HydrophobicContact CZ-CB 4.48Å; L173-L177 PolarHBondContact O-N 2.98Å; Q174-L177 PolarHBondContact O-N 3.45Å; L177-N179 PolarHBondContact O-N 2.77Å; L177-Q180 PolarHBondContact O-N 3.06Å; L177-V181 HydrophobicContact CD2-CG2 4.36Å; L177-V181 WeakPolarHBondContact O-CA 3.49Å; L177-V181 WeakPolarHBondContact O-CB 3.45Å; L177-V181 PolarHBondContact O-N 3.11Å; L177-G182 PolarHBondContact O-N 3.39Å; L177-L202 HydrophobicContact CD2-CD2 4.02Å; L177-L202 HydrophobicContact CD2-CG 4.42Å
178	D	97.3	Very high	95.8	Very high	39 Å²	39	64.8 Å²	64.8	21%	0.209	36%	0.356	C	S	.	.	H	α-helix	trans	-56.3	-37.3	174.8	-82	-45.5	0	0	0	112.2	Q174 P175 G182 F183 K184	Q174-D178 PolarHBondContact O-N 3.25Å; P175-D178 PolarHBondContact O-N 3.28Å; D178-G182 CarbonylContact O-C 3.39Å; D178-G182 VanDerWaalsContact O-C 3.28Å; D178-G182 WeakPolarHBondContact O-CA 3.29Å; D178-G182 PolarHBondContact O-N 3.2Å; D178-F183 PolarHBondContact O-N 3.41Å; D178-K184 HydrophobicContact CB-CD 4.15Å; D178-K184 PolarHBondContact O-N 2.84Å; D178-K184 IonicContact OD1-NZ 3.71Å; D178-K184 PolarHBondContact OD1-NZ 3.06Å
179	N	96.3	Very high	95.5	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.342	36%	0.363	S	S	.	.	H	α-helix	trans	-77.4	-55.2	177	-162.3	12.6	0	0	0	111.7	P175 L176 L177 F183 M186	P175-N179 PolarHBondContact O-N 3.44Å; P175-N179 VanDerWaalsContact O-N 3.16Å; L176-N179 PolarHBondContact O-N 3.19Å; L177-N179 PolarHBondContact O-N 2.77Å; N179-F183 WeakPolarHBondContact O-CA 3.19Å; N179-F183 PolarHBondContact O-N 3.16Å; N179-M186 WeakPolarHBondContact O-CE 3.47Å; N179-M186 WeakPolarHBondContact OD1-CE 3.34Å
180	Q	94.9	Very high	95.1	Very high	63 Å²	63	73.5 Å²	73.5	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-77.2	-35.4	-170.3	-68	-61.4	-42.6	0	0	114.5	L176 L177 R198 L202	L176-Q180 HydrophobicContact CD1-CG 4.06Å; L176-Q180 WeakPolarHBondContact O-CB 3.33Å; L176-Q180 WeakPolarHBondContact O-CG 3.39Å; L176-Q180 PolarHBondContact O-N 3.33Å; L177-Q180 PolarHBondContact O-N 3.06Å; Q180-R198 PolarHBondContact O-NH2 3.08Å; Q180-L202 HydrophobicContact CB-CD1 3.88Å; Q180-L202 HydrophobicContact CB-CD2 3.92Å; Q180-L202 HydrophobicContact CG-CD1 3.88Å
181	V	94.6	Very high	94.6	Very high	25 Å²	25	78.6 Å²	78.6	15%	0.152	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-42.2	-180	-174.2	0	0	0	0	110.3	F163 L177 F183 L194 L202	F163-V181 HydrophobicContact CD1-CB 3.81Å; F163-V181 HydrophobicContact CD1-CG1 3.49Å; F163-V181 VanDerWaalsContact CD1-CG1 3.49Å; F163-V181 HydrophobicContact CE1-CB 3.79Å; F163-V181 HydrophobicContact CE1-CG1 3.72Å; F163-V181 HydrophobicContact CG-CG1 4.46Å; F163-V181 HydrophobicContact CZ-CB 4.49Å; L177-V181 HydrophobicContact CD2-CG2 4.36Å; L177-V181 WeakPolarHBondContact O-CA 3.49Å; L177-V181 WeakPolarHBondContact O-CB 3.45Å; L177-V181 PolarHBondContact O-N 3.11Å; V181-F183 VanDerWaalsContact C-N 3.34Å; V181-F183 VanDerWaalsContact O-CD2 3.31Å; V181-F183 WeakPolarHBondContact O-CD2 3.41Å; V181-L194 HydrophobicContact CG1-CD2 4.18Å; V181-L194 HydrophobicContact CG2-CD2 4.2Å; V181-L202 HydrophobicContact CG2-CD2 3.51Å
182	G	94	Very high	94.2	Very high	26 Å²	26	78.1 Å²	78.1	27%	0.268	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.4	179.4	0	0	0	0	0	114.6	L177 D178 K184	L177-G182 PolarHBondContact O-N 3.39Å; D178-G182 CarbonylContact O-C 3.39Å; D178-G182 VanDerWaalsContact O-C 3.28Å; D178-G182 WeakPolarHBondContact O-CA 3.29Å; D178-G182 PolarHBondContact O-N 3.2Å; G182-K184 PolarHBondContact O-N 3.4Å
183	F	94.8	Very high	93.9	Very high	32 Å²	32	78.4 Å²	78.4	14%	0.14	41%	0.414	C	S	.	.			trans	50.6	26.7	-174.5	-60.8	-81.6	0	0	0	113.4	D178 N179 V181 M186 V189 H191	D178-F183 PolarHBondContact O-N 3.41Å; N179-F183 WeakPolarHBondContact O-CA 3.19Å; N179-F183 PolarHBondContact O-N 3.16Å; V181-F183 VanDerWaalsContact C-N 3.34Å; V181-F183 VanDerWaalsContact O-CD2 3.31Å; V181-F183 WeakPolarHBondContact O-CD2 3.41Å; F183-M186 HydrophobicContact CD1-SD 4.13Å; F183-V189 HydrophobicContact CD1-CG1 3.64Å; F183-V189 HydrophobicContact CE1-CG1 3.83Å; F183-H191 AromaticContact CD2-ND1 3.78Å
184	K	93.7	Very high	93.7	Very high	110 Å²	110	79.6 Å²	79.6	48%	0.478	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	141.5	-177	-66.9	179.1	-177.5	165.2	0	110	D178 G182 M186	D178-K184 HydrophobicContact CB-CD 4.15Å; D178-K184 PolarHBondContact O-N 2.84Å; D178-K184 IonicContact OD1-NZ 3.71Å; D178-K184 PolarHBondContact OD1-NZ 3.06Å; G182-K184 PolarHBondContact O-N 3.4Å; K184-M186 PolarHBondContact O-N 2.98Å
185	N	94.4	Very high	93.6	Very high	174 Å²	174	80.9 Å²	80.9	93%	0.93	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	23.3	178.3	-51.1	-47.5	0	0	0	114.8
186	M	93.5	Very high	93.5	Very high	67 Å²	67	79.6 Å²	79.6	33%	0.33	42%	0.421	S	S	.	.			trans	-104.5	145.8	170.3	-59.8	-169.7	174.4	0	0	110.7	N179 F183 K184 V189	N179-M186 WeakPolarHBondContact O-CE 3.47Å; N179-M186 WeakPolarHBondContact OD1-CE 3.34Å; F183-M186 HydrophobicContact CD1-SD 4.13Å; K184-M186 PolarHBondContact O-N 2.98Å; M186-V189 HydrophobicContact CB-CB 4.33Å; M186-V189 HydrophobicContact CB-CG2 3.59Å; M186-V189 HydrophobicContact CG-CG2 4.39Å; M186-V189 HydrophobicContact SD-CG1 4.32Å; M186-V189 HydrophobicContact SD-CG2 3.9Å
187	Q	92.7	Very high	93.5	Very high	171 Å²	171	82.3 Å²	82.3	80%	0.799	44%	0.436	S	S	*	.	S	Bend	trans	-111.2	143.5	175.7	-67.3	179.4	-10.8	0	0	110.1	V189	Q187-V189 VanDerWaalsContact C-N 3.34Å; Q187-V189 PolarHBondContact O-N 3.39Å
188	N	91	Very high	93.5	Very high	172 Å²	172	85.4 Å²	85.4	92%	0.92	45%	0.448	S	S	*	.	S	Bend	trans	57.7	39.2	176.9	-52	-43.7	0	0	0	114.3
189	V	90.8	Very high	93.5	Very high	60 Å²	60	83.6 Å²	83.6	36%	0.364	44%	0.438	S	S	.	.			trans	-107.8	139.7	179.2	-175.1	0	0	0	0	110.7	F183 M186 Q187	F183-V189 HydrophobicContact CD1-CG1 3.64Å; F183-V189 HydrophobicContact CE1-CG1 3.83Å; M186-V189 HydrophobicContact CB-CB 4.33Å; M186-V189 HydrophobicContact CB-CG2 3.59Å; M186-V189 HydrophobicContact CG-CG2 4.39Å; M186-V189 HydrophobicContact SD-CG1 4.32Å; M186-V189 HydrophobicContact SD-CG2 3.9Å; Q187-V189 VanDerWaalsContact C-N 3.34Å; Q187-V189 PolarHBondContact O-N 3.39Å
190	E	88.6	Confident	93.5	Very high	155 Å²	155	81.3 Å²	81.3	72%	0.724	43%	0.425	S	S	*	.			trans	-80	130.4	175.6	-168.1	-179.9	179.9	0	0	110.9	V192	E190-V192 VanDerWaalsContact C-N 3.29Å; E190-V192 HydrophobicContact CB-CG2 4.18Å; E190-V192 HydrophobicContact CG-CG2 3.73Å; E190-V192 PolarHBondContact O-N 2.82Å
191	H	87.9	Confident	93.7	Very high	142 Å²	142	85.8 Å²	85.8	66%	0.657	44%	0.44	S	S	*	.			trans	-84.5	71.6	177.4	-70.3	-88.7	0	0	0	110.9	F183	F183-H191 AromaticContact CD2-ND1 3.78Å
192	V	89.2	Confident	93.8	Very high	73 Å²	73	85.4 Å²	85.4	44%	0.442	44%	0.437	S	S	.	.			trans	-78.7	134.5	175.3	-172.9	0	0	0	0	109.7	E190	E190-V192 VanDerWaalsContact C-N 3.29Å; E190-V192 HydrophobicContact CB-CG2 4.18Å; E190-V192 HydrophobicContact CG-CG2 3.73Å; E190-V192 PolarHBondContact O-N 2.82Å
193	P	90.6	Very high	94	Very high	96 Å²	96	84.2 Å²	84.2	62%	0.623	42%	0.424	S	S	*	.			trans	-52.8	142.8	173.4	-26.8	34.7	0	0	0	112.4	S195	P193-S195 PolarHBondContact O-N 3.28Å
194	L	94	Very high	94.1	Very high	26 Å²	26	85.3 Å²	85.3	14%	0.136	43%	0.429	C	S	.	.			trans	-72.3	111.1	-177.9	-176.1	67.8	0	0	0	110.4	I43 F48 V181 R198 A199	I43-L194 HydrophobicContact CG2-CD2 3.5Å; F48-L194 WeakPolarHBondContact CE1-O 3.23Å; V181-L194 HydrophobicContact CG1-CD2 4.18Å; V181-L194 HydrophobicContact CG2-CD2 4.2Å; L194-R198 HydrophobicContact CD1-CB 4.17Å; L194-R198 HydrophobicContact CD1-CG 3.91Å; L194-A199 HydrophobicContact CD1-CB 4.35Å; L194-A199 HydrophobicContact CD2-CB 3.72Å; L194-A199 HydrophobicContact CG-CB 3.91Å
195	S	96.4	Very high	94.3	Very high	63 Å²	63	84.5 Å²	84.5	44%	0.441	43%	0.43	S	S	.	.			trans	-72.7	152.1	173.6	69.1	0	0	0	0	112.1	P193 D197 R198 A199	P193-S195 PolarHBondContact O-N 3.28Å; S195-D197 VanDerWaalsContact C-N 3.32Å; S195-D197 PolarHBondContact O-N 3.44Å; S195-R198 PolarHBondContact O-N 3.32Å; S195-R198 WeakPolarHBondContact OG-CB 3.39Å; S195-R198 PolarHBondContact OG-N 3.17Å; S195-A199 WeakPolarHBondContact O-CB 3.43Å; S195-A199 PolarHBondContact O-N 3.27Å
196	L	95.8	Very high	94.5	Very high	53 Å²	53	76.2 Å²	76.2	28%	0.277	39%	0.386	S	S	.	.	H	α-helix	trans	-56.5	-45	179	178.8	61	0	0	0	112	F48 I50 R198 A199 M200 I225	F48-L196 HydrophobicContact CB-CD1 4.45Å; F48-L196 HydrophobicContact CD1-CB 4.03Å; F48-L196 HydrophobicContact CD1-CD1 4.23Å; F48-L196 HydrophobicContact CD2-CD1 3.68Å; F48-L196 HydrophobicContact CE1-CB 3.87Å; F48-L196 HydrophobicContact CE1-CD1 4.45Å; F48-L196 HydrophobicContact CE2-CD1 3.9Å; F48-L196 HydrophobicContact CG-CD1 3.86Å; F48-L196 HydrophobicContact CZ-CB 4.2Å; F48-L196 HydrophobicContact CZ-CD1 4.29Å; I50-L196 HydrophobicContact CD1-CD1 4.09Å; I50-L196 HydrophobicContact CG1-CD1 4.36Å; L196-R198 VanDerWaalsContact C-N 3.33Å; L196-R198 PolarHBondContact O-N 3.5Å; L196-A199 PolarHBondContact O-N 3.12Å; L196-M200 HydrophobicContact CD1-CG 4.14Å; L196-M200 HydrophobicContact CG-CG 4.46Å; L196-M200 WeakPolarHBondContact O-CB 3.42Å; L196-M200 WeakPolarHBondContact O-CG 3.34Å; L196-M200 PolarHBondContact O-N 3.39Å; L196-I225 HydrophobicContact CD1-CG2 3.74Å; L196-I225 HydrophobicContact CD2-CG2 4.37Å
197	D	96.5	Very high	94.7	Very high	118 Å²	118	73 Å²	73	63%	0.631	37%	0.37	S	S	*	.	H	α-helix	trans	-65.3	-35.7	-179.8	-67.6	-23.6	0	0	0	112.9	S195 R201	S195-D197 VanDerWaalsContact C-N 3.32Å; S195-D197 PolarHBondContact O-N 3.44Å; D197-R201 WeakPolarHBondContact O-CG 3.34Å; D197-R201 PolarHBondContact O-N 3.45Å; D197-R201 PolarHBondContact O-NE 3.03Å
198	R	96.4	Very high	95	Very high	65 Å²	65	69 Å²	69	25%	0.245	35%	0.353	C	S	.	.	H	α-helix	trans	-70.6	-43.1	174.7	-176.8	177.3	172.6	-137.1	-7.2	110.4	Q180 L194 S195 L196 R201 L202	Q180-R198 PolarHBondContact O-NH2 3.08Å; L194-R198 HydrophobicContact CD1-CB 4.17Å; L194-R198 HydrophobicContact CD1-CG 3.91Å; S195-R198 PolarHBondContact O-N 3.32Å; S195-R198 WeakPolarHBondContact OG-CB 3.39Å; S195-R198 PolarHBondContact OG-N 3.17Å; L196-R198 VanDerWaalsContact C-N 3.33Å; L196-R198 PolarHBondContact O-N 3.5Å; R198-R201 PolarHBondContact O-N 3.38Å; R198-L202 WeakPolarHBondContact O-CB 3.21Å; R198-L202 PolarHBondContact O-N 2.94Å
199	A	97.1	Very high	95.3	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-45.4	177.4	0	0	0	0	0	111.5	F48 I50 L194 S195 L196 R201 L202 V203	F48-A199 HydrophobicContact CE2-CB 3.83Å; F48-A199 HydrophobicContact CZ-CB 3.87Å; I50-A199 HydrophobicContact CD1-CB 3.55Å; L194-A199 HydrophobicContact CD1-CB 4.35Å; L194-A199 HydrophobicContact CD2-CB 3.72Å; L194-A199 HydrophobicContact CG-CB 3.91Å; S195-A199 WeakPolarHBondContact O-CB 3.43Å; S195-A199 PolarHBondContact O-N 3.27Å; L196-A199 PolarHBondContact O-N 3.12Å; A199-R201 PolarHBondContact O-N 3.41Å; A199-L202 PolarHBondContact O-N 3.3Å; A199-V203 VanDerWaalsContact O-CG2 3.31Å; A199-V203 WeakPolarHBondContact O-CG2 3.46Å; A199-V203 PolarHBondContact O-N 3.4Å
200	M	97.6	Very high	95.6	Very high	16 Å²	16	61.3 Å²	61.3	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-45.2	177.7	-76.4	-63.2	-65	0	0	112.6	I50 L196 V203 K204 I223 I225 E234	I50-M200 HydrophobicContact CD1-CG 4.11Å; I50-M200 HydrophobicContact CD1-SD 3.82Å; I50-M200 HydrophobicContact CG1-SD 4.45Å; L196-M200 HydrophobicContact CD1-CG 4.14Å; L196-M200 HydrophobicContact CG-CG 4.46Å; L196-M200 WeakPolarHBondContact O-CB 3.42Å; L196-M200 WeakPolarHBondContact O-CG 3.34Å; L196-M200 PolarHBondContact O-N 3.39Å; M200-V203 PolarHBondContact O-N 2.71Å; M200-K204 VanDerWaalsContact O-CG 3.29Å; M200-K204 WeakPolarHBondContact O-CG 3.23Å; M200-K204 PolarHBondContact O-N 3.49Å; M200-K204 VanDerWaalsContact O-N 3.12Å; M200-I223 HydrophobicContact CE-CB 4.35Å; M200-I223 HydrophobicContact CE-CD1 3.85Å; M200-I223 HydrophobicContact CE-CG2 3.88Å; M200-I223 HydrophobicContact SD-CG2 3.71Å; M200-I225 HydrophobicContact CE-CD1 3.77Å; M200-I225 HydrophobicContact CE-CG1 4.33Å; M200-I225 HydrophobicContact CG-CD1 4.37Å; M200-I225 HydrophobicContact SD-CD1 3.55Å; M200-I225 VanDerWaalsContact SD-CD1 3.55Å; M200-I225 HydrophobicContact SD-CG1 3.7Å; M200-E234 WeakPolarHBondContact CE-OE2 3.35Å
201	R	97.4	Very high	96.1	Very high	158 Å²	158	54.4 Å²	54.4	60%	0.596	28%	0.284	S	S	*	.	H	α-helix	trans	-63	-46	175.5	-75.2	-175.2	-69.3	149.2	-5.8	111.7	D197 R198 A199 V203 K204 D205	D197-R201 WeakPolarHBondContact O-CG 3.34Å; D197-R201 PolarHBondContact O-N 3.45Å; D197-R201 PolarHBondContact O-NE 3.03Å; R198-R201 PolarHBondContact O-N 3.38Å; A199-R201 PolarHBondContact O-N 3.41Å; R201-V203 VanDerWaalsContact C-N 3.32Å; R201-V203 PolarHBondContact O-N 3.3Å; R201-K204 WeakPolarHBondContact O-CB 3.39Å; R201-K204 PolarHBondContact O-N 2.61Å; R201-K204 VanDerWaalsContact O-N 3.1Å; R201-D205 VanDerWaalsContact O-CG 3.24Å; R201-D205 PolarHBondContact O-N 3.37Å
202	L	97.4	Very high	96.5	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.089	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-46.6	177.7	-178.1	63.6	0	0	0	111.3	L177 Q180 V181 R198 A199 K204 D205 V206	L177-L202 HydrophobicContact CD2-CD2 4.02Å; L177-L202 HydrophobicContact CD2-CG 4.42Å; Q180-L202 HydrophobicContact CB-CD1 3.88Å; Q180-L202 HydrophobicContact CB-CD2 3.92Å; Q180-L202 HydrophobicContact CG-CD1 3.88Å; V181-L202 HydrophobicContact CG2-CD2 3.51Å; R198-L202 WeakPolarHBondContact O-CB 3.21Å; R198-L202 PolarHBondContact O-N 2.94Å; A199-L202 PolarHBondContact O-N 3.3Å; L202-K204 VanDerWaalsContact C-N 3.35Å; L202-K204 PolarHBondContact O-N 3.13Å; L202-D205 PolarHBondContact O-N 3.4Å; L202-V206 HydrophobicContact CD1-CG1 3.91Å; L202-V206 HydrophobicContact CG-CG1 4.24Å; L202-V206 WeakPolarHBondContact O-CG1 3.5Å; L202-V206 WeakPolarHBondContact O-CG2 3.43Å; L202-V206 PolarHBondContact O-N 3.04Å
203	V	98	Very high	96.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-46.2	176.5	171.7	0	0	0	0	111.1	L41 I43 I50 A52 A199 M200 R201 D205 V206 F207 L221 I223	L41-V203 HydrophobicContact CD2-CG1 4.47Å; L41-V203 HydrophobicContact CD2-CG2 3.73Å; I43-V203 HydrophobicContact CD1-CG2 3.72Å; I50-V203 HydrophobicContact CG2-CG2 4.19Å; A52-V203 HydrophobicContact CB-CG1 3.61Å; A199-V203 VanDerWaalsContact O-CG2 3.31Å; A199-V203 WeakPolarHBondContact O-CG2 3.46Å; A199-V203 PolarHBondContact O-N 3.4Å; M200-V203 PolarHBondContact O-N 2.71Å; R201-V203 VanDerWaalsContact C-N 3.32Å; R201-V203 PolarHBondContact O-N 3.3Å; V203-D205 PolarHBondContact O-N 2.85Å; V203-V206 WeakPolarHBondContact O-CG2 3.47Å; V203-F207 HydrophobicContact CG1-CD2 3.96Å; V203-F207 HydrophobicContact CG1-CE2 4.09Å; V203-F207 VanDerWaalsContact O-CD2 3.31Å; V203-F207 WeakPolarHBondContact O-CD2 3.43Å; V203-F207 PolarHBondContact O-N 3.01Å; V203-L221 HydrophobicContact CG1-CD2 4.49Å; V203-I223 HydrophobicContact CG1-CD1 3.98Å; V203-I223 HydrophobicContact CG1-CG1 4.31Å
204	K	97.8	Very high	97.2	Very high	55 Å²	55	55 Å²	55	24%	0.239	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-48.4	177.8	-66.1	172.5	-165	-149.8	0	111.3	M200 R201 L202 V206 F207 I208 I223 E234 I236	M200-K204 VanDerWaalsContact O-CG 3.29Å; M200-K204 WeakPolarHBondContact O-CG 3.23Å; M200-K204 PolarHBondContact O-N 3.49Å; M200-K204 VanDerWaalsContact O-N 3.12Å; R201-K204 WeakPolarHBondContact O-CB 3.39Å; R201-K204 PolarHBondContact O-N 2.61Å; R201-K204 VanDerWaalsContact O-N 3.1Å; L202-K204 VanDerWaalsContact C-N 3.35Å; L202-K204 PolarHBondContact O-N 3.13Å; K204-V206 PolarHBondContact O-N 3.48Å; K204-F207 PolarHBondContact O-N 2.62Å; K204-I208 WeakPolarHBondContact O-CD1 3.37Å; K204-I208 VanDerWaalsContact O-CG1 3.25Å; K204-I208 WeakPolarHBondContact O-CG1 3.29Å; K204-I208 PolarHBondContact O-N 3.45Å; K204-I223 HydrophobicContact CG-CD1 4.14Å; K204-E234 IonicContact NZ-OE1 3.75Å; K204-E234 PolarHBondContact NZ-OE1 2.87Å; K204-E234 IonicContact NZ-OE2 3.75Å; K204-I236 HydrophobicContact CD-CD1 3.52Å; K204-I236 HydrophobicContact CG-CD1 3.54Å
205	D	97.8	Very high	97.4	Very high	93 Å²	93	58.9 Å²	58.9	50%	0.497	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-41.8	-176.3	-64.5	-22.4	0	0	0	112.5	R201 L202 V203 I208 S209	R201-D205 VanDerWaalsContact O-CG 3.24Å; R201-D205 PolarHBondContact O-N 3.37Å; L202-D205 PolarHBondContact O-N 3.4Å; V203-D205 PolarHBondContact O-N 2.85Å; D205-I208 PolarHBondContact O-N 2.98Å; D205-S209 WeakPolarHBondContact O-CB 3.38Å; D205-S209 PolarHBondContact O-N 3.23Å; D205-S209 PolarHBondContact O-OG 2.82Å
206	V	97.9	Very high	97.4	Very high	1 Å²	1	59 Å²	59	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-69.7	-35.6	-179	-54.2	0	0	0	0	111.9	L41 L173 L176 L202 V203 K204 S209 A210	L41-V206 HydrophobicContact CD1-CG2 3.91Å; L173-V206 HydrophobicContact CD2-CB 3.6Å; L173-V206 HydrophobicContact CD2-CG2 3.67Å; L173-V206 WeakPolarHBondContact CD2-O 3.42Å; L176-V206 HydrophobicContact CB-CG1 4.46Å; L176-V206 HydrophobicContact CD2-CB 4.03Å; L176-V206 HydrophobicContact CD2-CG1 3.3Å; L176-V206 HydrophobicContact CG-CG1 3.8Å; L202-V206 HydrophobicContact CD1-CG1 3.91Å; L202-V206 HydrophobicContact CG-CG1 4.24Å; L202-V206 WeakPolarHBondContact O-CG1 3.5Å; L202-V206 WeakPolarHBondContact O-CG2 3.43Å; L202-V206 PolarHBondContact O-N 3.04Å; V203-V206 WeakPolarHBondContact O-CG2 3.47Å; K204-V206 PolarHBondContact O-N 3.48Å; V206-S209 PolarHBondContact O-N 2.94Å; V206-A210 WeakPolarHBondContact O-CB 3.43Å; V206-A210 PolarHBondContact O-N 2.74Å
207	F	98.2	Very high	97.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-73.5	-36	176.6	-89.3	-85.9	0	0	0	112.6	T39 L41 A52 L173 V203 K204 S209 A210 A211 T217 L221 L238	T39-F207 HydrophobicContact CG2-CE1 3.87Å; T39-F207 HydrophobicContact CG2-CZ 4.2Å; L41-F207 HydrophobicContact CB-CE2 3.81Å; L41-F207 HydrophobicContact CB-CZ 3.96Å; L41-F207 HydrophobicContact CD1-CE2 4.24Å; L41-F207 HydrophobicContact CG-CE2 4.44Å; A52-F207 HydrophobicContact CB-CE2 3.8Å; A52-F207 HydrophobicContact CB-CZ 4.23Å; L173-F207 HydrophobicContact CD1-CZ 4.47Å; V203-F207 HydrophobicContact CG1-CD2 3.96Å; V203-F207 HydrophobicContact CG1-CE2 4.09Å; V203-F207 VanDerWaalsContact O-CD2 3.31Å; V203-F207 WeakPolarHBondContact O-CD2 3.43Å; V203-F207 PolarHBondContact O-N 3.01Å; K204-F207 PolarHBondContact O-N 2.62Å; F207-S209 VanDerWaalsContact C-N 3.31Å; F207-A210 PolarHBondContact O-N 3.12Å; F207-A211 WeakPolarHBondContact O-CB 3.21Å; F207-A211 PolarHBondContact O-N 2.66Å; F207-T217 HydrophobicContact CD1-CG2 4.1Å; F207-L221 HydrophobicContact CB-CD1 4.19Å; F207-L221 HydrophobicContact CB-CD2 3.81Å; F207-L221 HydrophobicContact CD1-CD1 3.61Å; F207-L221 HydrophobicContact CD2-CD1 3.63Å; F207-L221 HydrophobicContact CD2-CD2 4.09Å; F207-L221 HydrophobicContact CE1-CD1 3.76Å; F207-L221 HydrophobicContact CE2-CD1 3.78Å; F207-L221 HydrophobicContact CG-CD1 3.54Å; F207-L221 HydrophobicContact CG-CD2 4Å; F207-L221 HydrophobicContact CG-CG 4.38Å; F207-L221 HydrophobicContact CZ-CD1 3.83Å; F207-L238 HydrophobicContact CB-CD1 4.46Å; F207-L238 HydrophobicContact CB-CD2 4.4Å
208	I	97.9	Very high	97.4	Very high	87 Å²	87	51 Å²	51	45%	0.446	24%	0.239	S	C	.	.	H	α-helix	trans	-58.2	-48.9	170.1	-68.6	163.6	0	0	0	109.1	K204 D205 A210 A211 E212 L238	K204-I208 WeakPolarHBondContact O-CD1 3.37Å; K204-I208 VanDerWaalsContact O-CG1 3.25Å; K204-I208 WeakPolarHBondContact O-CG1 3.29Å; K204-I208 PolarHBondContact O-N 3.45Å; D205-I208 PolarHBondContact O-N 2.98Å; I208-A210 VanDerWaalsContact C-N 3.35Å; I208-A210 PolarHBondContact O-N 3.3Å; I208-A211 PolarHBondContact O-N 3.27Å; I208-E212 WeakPolarHBondContact O-CG 3.43Å; I208-E212 PolarHBondContact O-N 3.19Å; I208-L238 HydrophobicContact CG1-CD2 4.11Å
209	S	97.9	Very high	97.5	Very high	67 Å²	67	48.2 Å²	48.2	47%	0.469	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-38.2	179.4	-56.2	0	0	0	0	113	D205 V206 F207 E212	D205-S209 WeakPolarHBondContact O-CB 3.38Å; D205-S209 PolarHBondContact O-N 3.23Å; D205-S209 PolarHBondContact O-OG 2.82Å; V206-S209 PolarHBondContact O-N 2.94Å; F207-S209 VanDerWaalsContact C-N 3.31Å; S209-E212 PolarHBondContact O-N 2.85Å
210	A	97.9	Very high	97.5	Very high	2 Å²	2	49 Å²	49	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-42.9	176.9	0	0	0	0	0	111.7	A169 L173 V206 F207 I208 E212 R213 D214 T217	A169-A210 HydrophobicContact CB-CB 3.99Å; L173-A210 HydrophobicContact CD2-CB 3.9Å; L173-A210 HydrophobicContact CG-CB 4.44Å; V206-A210 WeakPolarHBondContact O-CB 3.43Å; V206-A210 PolarHBondContact O-N 2.74Å; F207-A210 PolarHBondContact O-N 3.12Å; I208-A210 VanDerWaalsContact C-N 3.35Å; I208-A210 PolarHBondContact O-N 3.3Å; A210-E212 PolarHBondContact O-N 2.62Å; A210-R213 PolarHBondContact O-N 2.88Å; A210-D214 PolarHBondContact O-N 3.06Å; A210-T217 HydrophobicContact CB-CG2 4.28Å
211	A	97.5	Very high	97.5	Very high	10 Å²	10	48.3 Å²	48.3	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-26.8	178.9	0	0	0	0	0	112.8	F207 I208 R213 T217 R239	F207-A211 WeakPolarHBondContact O-CB 3.21Å; F207-A211 PolarHBondContact O-N 2.66Å; I208-A211 PolarHBondContact O-N 3.27Å; A211-R213 VanDerWaalsContact C-N 3.26Å; A211-R213 PolarHBondContact O-N 3.37Å; A211-T217 HydrophobicContact CB-CG2 4.47Å; A211-R239 HydrophobicContact CB-CG 3.86Å; A211-R239 WeakPolarHBondContact O-CD 3.31Å
212	E	97.5	Very high	97.5	Very high	104 Å²	104	43 Å²	43	49%	0.486	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.8	174.2	-66.3	-62.3	123.9	0	0	113.8	I208 S209 A210 R239	I208-E212 WeakPolarHBondContact O-CG 3.43Å; I208-E212 PolarHBondContact O-N 3.19Å; S209-E212 PolarHBondContact O-N 2.85Å; A210-E212 PolarHBondContact O-N 2.62Å; E212-R239 WeakPolarHBondContact OE1-CD 3.22Å; E212-R239 IonicContact OE1-CZ 3.57Å; E212-R239 IonicContact OE1-NE 3.64Å; E212-R239 IonicContact OE1-NH1 2.77Å; E212-R239 PolarHBondContact OE1-NH1 2.85Å; E212-R239 IonicContact OE2-CZ 3.89Å; E212-R239 IonicContact OE2-NH1 3.48Å; E212-R239 PolarHBondContact OE2-NH1 3.17Å
213	R	97.3	Very high	97.6	Very high	204 Å²	204	42.2 Å²	42.2	77%	0.77	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-31.2	-168.1	-63.5	-59.5	-175	-178.4	-1	114	M172 A210 A211	M172-R213 HydrophobicContact CE-CB 4.01Å; M172-R213 HydrophobicContact SD-CB 3.76Å; A210-R213 PolarHBondContact O-N 2.88Å; A211-R213 VanDerWaalsContact C-N 3.26Å; A211-R213 PolarHBondContact O-N 3.37Å
214	D	97.8	Very high	97.6	Very high	16 Å²	16	42.2 Å²	42.2	9%	0.086	21%	0.209	C	C	.	.			trans	-99.8	120.2	176.7	-179	32.8	0	0	0	110.7	S168 A169 M172 A210 Y216 T217	S168-D214 VanDerWaalsContact CB-OD2 3.29Å; S168-D214 WeakPolarHBondContact CB-OD2 3.29Å; S168-D214 PolarHBondContact OG-OD2 2.93Å; A169-D214 HydrophobicContact CB-CB 3.98Å; A169-D214 PolarHBondContact N-OD2 3.06Å; M172-D214 HydrophobicContact CE-CB 3.97Å; M172-D214 HydrophobicContact SD-CB 4Å; A210-D214 PolarHBondContact O-N 3.06Å; D214-Y216 PolarHBondContact O-N 3.12Å; D214-Y216 WeakPolarHBondContact OD1-CD2 3.49Å; D214-Y216 PolarHBondContact OD1-N 3.27Å; D214-T217 PolarHBondContact O-N 2.85Å; D214-T217 PolarHBondContact OD2-N 3.12Å; D214-T217 PolarHBondContact OD2-OG1 3.28Å
215	V	97.1	Very high	97.6	Very high	107 Å²	107	40 Å²	40	65%	0.648	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.3	-178.1	-61.8	0	0	0	0	113.4	R56	R56-V215 PolarHBondContact NH1-O 3.1Å
216	Y	97.4	Very high	97.6	Very high	66 Å²	66	35.6 Å²	35.6	26%	0.259	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.7	-178.4	-63.5	-71.2	0	0	0	113.5	F35 S58 S168 D214	F35-Y216 HydrophobicContact CD1-CE1 4.22Å; F35-Y216 HydrophobicContact CE1-CD1 4.21Å; F35-Y216 HydrophobicContact CE1-CD2 4.07Å; F35-Y216 HydrophobicContact CE1-CE1 4.08Å; F35-Y216 AromaticContact CE1-CE2 3.94Å; F35-Y216 HydrophobicContact CE1-CE2 3.94Å; F35-Y216 HydrophobicContact CE1-CG 4.2Å; F35-Y216 AromaticContact CE1-CZ 3.95Å; S58-Y216 WeakPolarHBondContact OG-CD1 3.27Å; S168-Y216 WeakPolarHBondContact OG-CB 3.19Å; D214-Y216 PolarHBondContact O-N 3.12Å; D214-Y216 WeakPolarHBondContact OD1-CD2 3.49Å; D214-Y216 PolarHBondContact OD1-N 3.27Å
217	T	97.4	Very high	97.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	18%	0.182	C	C	.	.	S	Bend	trans	-99.2	120.3	-177.8	-62.3	0	0	0	0	109.9	T39 D54 F207 A210 A211 D214	T39-T217 PolarHBondContact OG1-OG1 3.4Å; D54-T217 HydrophobicContact CB-CG2 4.22Å; F207-T217 HydrophobicContact CD1-CG2 4.1Å; A210-T217 HydrophobicContact CB-CG2 4.28Å; A211-T217 HydrophobicContact CB-CG2 4.47Å; D214-T217 PolarHBondContact O-N 2.85Å; D214-T217 PolarHBondContact OD2-N 3.12Å; D214-T217 PolarHBondContact OD2-OG1 3.28Å
218	G	94.8	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.			trans	178.7	-165.6	177.8	0	0	0	0	0	117.1	A220	G218-A220 PolarHBondContact O-N 3.4Å
219	D	96.8	Very high	97.3	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	23%	0.225	C	C	.	.	S	Bend	trans	66.2	-71.7	177.9	-55.1	-51.9	0	0	0	115.7	R56 R66 L238 R239	R56-D219 WeakPolarHBondContact CB-OD2 3.44Å; R56-D219 WeakPolarHBondContact CG-OD2 3.19Å; R56-D219 IonicContact CZ-OD1 3.96Å; R56-D219 IonicContact CZ-OD2 3.19Å; R56-D219 IonicContact NE-OD1 3.11Å; R56-D219 IonicContact NE-OD2 2.66Å; R56-D219 PolarHBondContact NE-OD2 3.35Å; R56-D219 IonicContact NH2-OD1 3.71Å; R56-D219 PolarHBondContact NH2-OD1 3.29Å; R56-D219 IonicContact NH2-OD2 2.6Å; R56-D219 PolarHBondContact NH2-OD2 2.99Å; R66-D219 HydrophobicContact CB-CB 3.94Å; R66-D219 WeakPolarHBondContact CD-OD1 3.21Å; R66-D219 HydrophobicContact CG-CB 4.43Å; R66-D219 WeakPolarHBondContact CG-OD2 3.39Å; R66-D219 IonicContact NE-OD1 3.54Å; D219-L238 PolarHBondContact O-N 2.62Å; D219-R239 WeakPolarHBondContact CA-O 3.45Å; D219-R239 PolarHBondContact N-O 2.78Å
220	A	97.7	Very high	97.1	Very high	18 Å²	18	44.3 Å²	44.3	15%	0.149	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.3	175.9	0	0	0	0	0	111	D54 T55 G218 T235 I236	D54-A220 CarbonylContact C-O 3.53Å; D54-A220 VanDerWaalsContact CA-O 3.24Å; D54-A220 WeakPolarHBondContact CA-O 3.45Å; T55-A220 HydrophobicContact CG2-CB 4.07Å; T55-A220 PolarHBondContact N-O 3.25Å; T55-A220 WeakPolarHBondContact OG1-CB 3.38Å; T55-A220 PolarHBondContact OG1-N 3Å; T55-A220 PolarHBondContact OG1-O 2.89Å; G218-A220 PolarHBondContact O-N 3.4Å; A220-T235 HydrophobicContact CB-CG2 4.11Å; A220-I236 CarbonylContact C-O 3.59Å; A220-I236 WeakPolarHBondContact CA-O 3.28Å
221	L	98.1	Very high	97.1	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.6	177.9	176.4	61.4	0	0	0	108.4	A52 V203 F207 I223 T235 I236 L238	A52-L221 HydrophobicContact CB-CD1 4.16Å; V203-L221 HydrophobicContact CG1-CD2 4.49Å; F207-L221 HydrophobicContact CB-CD1 4.19Å; F207-L221 HydrophobicContact CB-CD2 3.81Å; F207-L221 HydrophobicContact CD1-CD1 3.61Å; F207-L221 HydrophobicContact CD2-CD1 3.63Å; F207-L221 HydrophobicContact CD2-CD2 4.09Å; F207-L221 HydrophobicContact CE1-CD1 3.76Å; F207-L221 HydrophobicContact CE2-CD1 3.78Å; F207-L221 HydrophobicContact CG-CD1 3.54Å; F207-L221 HydrophobicContact CG-CD2 4Å; F207-L221 HydrophobicContact CG-CG 4.38Å; F207-L221 HydrophobicContact CZ-CD1 3.83Å; L221-I223 HydrophobicContact CD1-CG1 4.45Å; L221-I223 HydrophobicContact CD2-CD1 3.9Å; L221-I223 HydrophobicContact CD2-CG1 4.05Å; L221-I223 HydrophobicContact CG-CD1 4.22Å; L221-I223 HydrophobicContact CG-CG1 3.81Å; L221-T235 WeakPolarHBondContact O-CA 3.19Å; L221-I236 HydrophobicContact CB-CB 4.4Å; L221-I236 PolarHBondContact N-O 2.88Å; L221-I236 PolarHBondContact O-N 3.09Å; L221-L238 HydrophobicContact CB-CD1 4.05Å; L221-L238 HydrophobicContact CB-CD2 4.41Å; L221-L238 HydrophobicContact CB-CG 4.05Å
222	R	98.3	Very high	97.1	Very high	46 Å²	46	53.3 Å²	53.3	17%	0.174	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.5	169.7	179.3	60	58.4	84.7	12.2	108.7	A52 S53 P69 E233 T235	A52-R222 CarbonylContact C-O 3.52Å; A52-R222 WeakPolarHBondContact CA-O 3.47Å; S53-R222 PolarHBondContact N-O 3.46Å; S53-R222 PolarHBondContact O-N 3.42Å; P69-R222 HydrophobicContact CB-CG 4.49Å; R222-E233 IonicContact CZ-OE2 3.02Å; R222-E233 IonicContact NE-OE2 2.66Å; R222-E233 IonicContact NH1-OE2 2.7Å; R222-E233 PolarHBondContact NH1-OE2 3.26Å; R222-T235 PolarHBondContact NE-OG1 2.76Å
223	I	98.3	Very high	97.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.7	175.4	-50.1	-179.7	0	0	0	108.6	I50 A52 M200 V203 K204 L221 I225 E233 E234 I236	I50-I223 HydrophobicContact CG2-CG2 3.6Å; A52-I223 HydrophobicContact CB-CG1 4.21Å; A52-I223 HydrophobicContact CB-CG2 4.42Å; M200-I223 HydrophobicContact CE-CB 4.35Å; M200-I223 HydrophobicContact CE-CD1 3.85Å; M200-I223 HydrophobicContact CE-CG2 3.88Å; M200-I223 HydrophobicContact SD-CG2 3.71Å; V203-I223 HydrophobicContact CG1-CD1 3.98Å; V203-I223 HydrophobicContact CG1-CG1 4.31Å; K204-I223 HydrophobicContact CG-CD1 4.14Å; L221-I223 HydrophobicContact CD1-CG1 4.45Å; L221-I223 HydrophobicContact CD2-CD1 3.9Å; L221-I223 HydrophobicContact CD2-CG1 4.05Å; L221-I223 HydrophobicContact CG-CD1 4.22Å; L221-I223 HydrophobicContact CG-CG1 3.81Å; I223-I225 HydrophobicContact CG2-CG1 4.25Å; I223-E233 CarbonylContact O-C 3.58Å; I223-E233 WeakPolarHBondContact O-CA 3.43Å; I223-E234 PolarHBondContact N-O 3.04Å; I223-E234 PolarHBondContact O-N 3.45Å; I223-I236 HydrophobicContact CD1-CD1 3.71Å
224	C	98.3	Very high	97	Very high	1 Å²	1	46 Å²	46	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.7	172.5	-64.2	0	0	0	0	109.2	I50 V51 V79 I231 R232	I50-C224 WeakPolarHBondContact CA-O 3.46Å; V51-C224 PolarHBondContact N-O 3.06Å; V51-C224 WeakPolarHBondContact O-CA 3.44Å; V51-C224 WeakPolarHBondContact O-CB 3.13Å; V51-C224 PolarHBondContact O-N 2.79Å; V79-C224 HydrophobicContact CG1-CB 4.28Å; V79-C224 HydrophobicContact CG2-CB 4.21Å; C224-I231 HydrophobicContact CB-CG2 4.28Å; C224-R232 CarbonylContact C-O 3.59Å; C224-R232 WeakPolarHBondContact CA-O 3.47Å
225	I	98.3	Very high	97	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.046	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.5	177.3	-50	166.7	0	0	0	107.3	L196 M200 I223 T227 I231 R232	L196-I225 HydrophobicContact CD1-CG2 3.74Å; L196-I225 HydrophobicContact CD2-CG2 4.37Å; M200-I225 HydrophobicContact CE-CD1 3.77Å; M200-I225 HydrophobicContact CE-CG1 4.33Å; M200-I225 HydrophobicContact CG-CD1 4.37Å; M200-I225 HydrophobicContact SD-CD1 3.55Å; M200-I225 VanDerWaalsContact SD-CD1 3.55Å; M200-I225 HydrophobicContact SD-CG1 3.7Å; I223-I225 HydrophobicContact CG2-CG1 4.25Å; I225-T227 HydrophobicContact CG2-CG2 4.05Å; I225-I231 CarbonylContact O-C 3.57Å; I225-I231 WeakPolarHBondContact O-CA 3.44Å; I225-R232 HydrophobicContact CB-CB 4.41Å; I225-R232 PolarHBondContact N-O 3.07Å; I225-R232 PolarHBondContact O-N 2.97Å
226	V	98.1	Very high	97	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116.3	179.6	-172.7	0	0	0	0	108.4	F48 A49 V79 L141 I231	F48-V226 CarbonylContact C-O 3.59Å; F48-V226 VanDerWaalsContact CA-O 3.23Å; F48-V226 WeakPolarHBondContact CA-O 3.43Å; A49-V226 HydrophobicContact CB-CB 4.33Å; A49-V226 PolarHBondContact N-O 2.77Å; A49-V226 PolarHBondContact O-N 3.13Å; V79-V226 HydrophobicContact CG2-CG2 3.78Å; L141-V226 HydrophobicContact CG-CG1 4.26Å; V226-I231 HydrophobicContact CG1-CG1 4.24Å; V226-I231 HydrophobicContact CG2-CG1 4.17Å; V226-I231 HydrophobicContact CG2-CG2 4.35Å
227	T	97.3	Very high	97	Very high	21 Å²	21	47 Å²	47	13%	0.129	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-179.1	174.8	67.4	0	0	0	0	110.2	F48 L141 I225 E229 G230	F48-T227 HydrophobicContact CB-CG2 4.1Å; L141-T227 VanDerWaalsContact CD1-C 3.46Å; I225-T227 HydrophobicContact CG2-CG2 4.05Å; T227-E229 WeakPolarHBondContact CB-OE2 3.32Å; T227-E229 PolarHBondContact O-N 2.8Å; T227-E229 PolarHBondContact OG1-OE2 3.43Å; T227-G230 PolarHBondContact N-O 2.99Å; T227-G230 PolarHBondContact O-N 2.9Å; T227-G230 PolarHBondContact OG1-O 3.24Å
228	K	95	Very high	97	Very high	132 Å²	132	47.7 Å²	47.7	57%	0.574	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.8	178.6	-66.8	176.9	-178.2	173.8	0	112.3	L141	L141-K228 HydrophobicContact CD1-CG 3.91Å
229	E	94.4	Very high	97	Very high	165 Å²	165	52.1 Å²	52.1	77%	0.771	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-16.5	179.6	-53.8	73.9	-152.6	0	0	112.9	T227	T227-E229 WeakPolarHBondContact CB-OE2 3.32Å; T227-E229 PolarHBondContact O-N 2.8Å; T227-E229 PolarHBondContact OG1-OE2 3.43Å
230	G	94.5	Very high	96.9	Very high	20 Å²	20	58.4 Å²	58.4	21%	0.206	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138.6	-157.3	177.4	0	0	0	0	0	113.4	T227	T227-G230 PolarHBondContact N-O 2.99Å; T227-G230 PolarHBondContact O-N 2.9Å; T227-G230 PolarHBondContact OG1-O 3.24Å
231	I	97.8	Very high	96.4	Very high	30 Å²	30	63.7 Å²	63.7	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.1	-175.6	-52.2	173.5	0	0	0	110.5	K73 T75 D76 V79 C224 I225 V226	K73-I231 HydrophobicContact CD-CD1 4.46Å; K73-I231 HydrophobicContact CD-CG2 4.48Å; K73-I231 HydrophobicContact CG-CD1 4.05Å; K73-I231 HydrophobicContact CG-CG2 4.49Å; T75-I231 VanDerWaalsContact O-CD1 3.23Å; T75-I231 WeakPolarHBondContact O-CD1 3.41Å; D76-I231 VanDerWaalsContact O-CG1 3.31Å; D76-I231 WeakPolarHBondContact O-CG1 3.41Å; V79-I231 HydrophobicContact CG2-CD1 3.79Å; V79-I231 HydrophobicContact CG2-CG2 4.17Å; C224-I231 HydrophobicContact CB-CG2 4.28Å; I225-I231 CarbonylContact O-C 3.57Å; I225-I231 WeakPolarHBondContact O-CA 3.44Å; V226-I231 HydrophobicContact CG1-CG1 4.24Å; V226-I231 HydrophobicContact CG2-CG1 4.17Å; V226-I231 HydrophobicContact CG2-CG2 4.35Å
232	R	97	Very high	96.4	Very high	171 Å²	171	66.8 Å²	66.8	65%	0.645	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.6	172.5	-65.6	176.5	58.8	-166.9	-4.6	110.1	C224 I225	C224-R232 CarbonylContact C-O 3.59Å; C224-R232 WeakPolarHBondContact CA-O 3.47Å; I225-R232 HydrophobicContact CB-CB 4.41Å; I225-R232 PolarHBondContact N-O 3.07Å; I225-R232 PolarHBondContact O-N 2.97Å
233	E	96.9	Very high	96.3	Very high	86 Å²	86	67.9 Å²	67.9	40%	0.402	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.1	175.4	-66.4	-177	-156.4	0	0	110	K73 R222 I223	K73-E233 WeakPolarHBondContact CE-OE1 3.19Å; K73-E233 IonicContact NZ-OE1 2.62Å; K73-E233 PolarHBondContact NZ-OE1 3.45Å; R222-E233 IonicContact CZ-OE2 3.02Å; R222-E233 IonicContact NE-OE2 2.66Å; R222-E233 IonicContact NH1-OE2 2.7Å; R222-E233 PolarHBondContact NH1-OE2 3.26Å; I223-E233 CarbonylContact O-C 3.58Å; I223-E233 WeakPolarHBondContact O-CA 3.43Å
234	E	96.8	Very high	96.2	Very high	69 Å²	69	71.7 Å²	71.7	32%	0.322	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.3	171	-167.2	-178.8	156.1	0	0	108.2	M200 K204 I223 I236	M200-E234 WeakPolarHBondContact CE-OE2 3.35Å; K204-E234 IonicContact NZ-OE1 3.75Å; K204-E234 PolarHBondContact NZ-OE1 2.87Å; K204-E234 IonicContact NZ-OE2 3.75Å; I223-E234 PolarHBondContact N-O 3.04Å; I223-E234 PolarHBondContact O-N 3.45Å; E234-I236 HydrophobicContact CG-CD1 4.47Å; E234-I236 HydrophobicContact CG-CG1 4.22Å
235	T	97.1	Very high	96	Very high	76 Å²	76	75.8 Å²	75.8	47%	0.466	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.8	175.1	-56.2	0	0	0	0	109.2	A220 L221 R222	A220-T235 HydrophobicContact CB-CG2 4.11Å; L221-T235 WeakPolarHBondContact O-CA 3.19Å; R222-T235 PolarHBondContact NE-OG1 2.76Å
236	I	96.2	Very high	95.9	Very high	32 Å²	32	80 Å²	80	16%	0.164	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.1	-175.4	-57.5	172	0	0	0	108.2	K204 A220 L221 I223 E234	K204-I236 HydrophobicContact CD-CD1 3.52Å; K204-I236 HydrophobicContact CG-CD1 3.54Å; A220-I236 CarbonylContact C-O 3.59Å; A220-I236 WeakPolarHBondContact CA-O 3.28Å; L221-I236 HydrophobicContact CB-CB 4.4Å; L221-I236 PolarHBondContact N-O 2.88Å; L221-I236 PolarHBondContact O-N 3.09Å; I223-I236 HydrophobicContact CD1-CD1 3.71Å; E234-I236 HydrophobicContact CG-CD1 4.47Å; E234-I236 HydrophobicContact CG-CG1 4.22Å
237	P	97.3	Very high	95.7	Very high	101 Å²	101	85.3 Å²	85.3	66%	0.656	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.2	175.9	29	-34	0	0	0	110.9
238	L	97.1	Very high	95.6	Very high	17 Å²	17	89.9 Å²	89.9	9%	0.089	44%	0.435	C	S	.	.			trans	-106.6	-178.8	164.2	-64.1	177.5	0	0	0	109	F207 I208 D219 L221	F207-L238 HydrophobicContact CB-CD1 4.46Å; F207-L238 HydrophobicContact CB-CD2 4.4Å; I208-L238 HydrophobicContact CG1-CD2 4.11Å; D219-L238 PolarHBondContact O-N 2.62Å; L221-L238 HydrophobicContact CB-CD1 4.05Å; L221-L238 HydrophobicContact CB-CD2 4.41Å; L221-L238 HydrophobicContact CB-CG 4.05Å
239	R	95	Very high	95.7	Very high	92 Å²	92	86.7 Å²	86.7	35%	0.347	42%	0.424	S	S	.	.			trans	-62.2	151	170.4	63.5	-173.1	-70.6	166.3	-5.2	111.4	A211 E212 D219 D241	A211-R239 HydrophobicContact CB-CG 3.86Å; A211-R239 WeakPolarHBondContact O-CD 3.31Å; E212-R239 WeakPolarHBondContact OE1-CD 3.22Å; E212-R239 IonicContact OE1-CZ 3.57Å; E212-R239 IonicContact OE1-NE 3.64Å; E212-R239 IonicContact OE1-NH1 2.77Å; E212-R239 PolarHBondContact OE1-NH1 2.85Å; E212-R239 IonicContact OE2-CZ 3.89Å; E212-R239 IonicContact OE2-NH1 3.48Å; E212-R239 PolarHBondContact OE2-NH1 3.17Å; D219-R239 WeakPolarHBondContact CA-O 3.45Å; D219-R239 PolarHBondContact N-O 2.78Å; R239-D241 WeakPolarHBondContact CB-OD1 3.35Å; R239-D241 WeakPolarHBondContact CD-OD1 3.47Å; R239-D241 VanDerWaalsContact CG-OD1 3.25Å; R239-D241 WeakPolarHBondContact CG-OD1 3.38Å; R239-D241 IonicContact CZ-OD1 2.69Å; R239-D241 IonicContact CZ-OD2 2.77Å; R239-D241 IonicContact NE-OD1 3.93Å; R239-D241 PolarHBondContact NE-OD1 3.3Å; R239-D241 IonicContact NE-OD2 2.82Å; R239-D241 PolarHBondContact NE-OD2 3.14Å; R239-D241 VanDerWaalsContact NE-OD2 3.11Å; R239-D241 IonicContact NH2-OD1 2.71Å; R239-D241 IonicContact NH2-OD2 3.84Å; R239-D241 PolarHBondContact NH2-OD2 2.89Å
240	K	95.4	Very high	95.8	Very high	140 Å²	140	80.2 Å²	80.2	61%	0.609	40%	0.395	S	S	*	.			trans	-119.3	3.9	-167.8	-64.4	-175.6	179.6	-179.8	0	114.5
241	D	88.2	Confident	95.9	Very high	128 Å²	128	85.6 Å²	85.6	68%	0.684	41%	0.413	S	S	*	.			trans	-69.7	0	177.8	62.8	-53.9	0	0	0	113.1	R56 R239	R56-D241 VanDerWaalsContact CZ-O 3.25Å; R56-D241 PolarHBondContact NH1-O 2.81Å; R56-D241 PolarHBondContact NH2-O 3.48Å; R239-D241 WeakPolarHBondContact CB-OD1 3.35Å; R239-D241 WeakPolarHBondContact CD-OD1 3.47Å; R239-D241 VanDerWaalsContact CG-OD1 3.25Å; R239-D241 WeakPolarHBondContact CG-OD1 3.38Å; R239-D241 IonicContact CZ-OD1 2.69Å; R239-D241 IonicContact CZ-OD2 2.77Å; R239-D241 IonicContact NE-OD1 3.93Å; R239-D241 PolarHBondContact NE-OD1 3.3Å; R239-D241 IonicContact NE-OD2 2.82Å; R239-D241 PolarHBondContact NE-OD2 3.14Å; R239-D241 VanDerWaalsContact NE-OD2 3.11Å; R239-D241 IonicContact NH2-OD1 2.71Å; R239-D241 IonicContact NH2-OD2 3.84Å; R239-D241 PolarHBondContact NH2-OD2 2.89Å

Retrieved 241 of 241 residues in 557.8 ms (Link to these results)

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