PSA2_BOVIN Loading...

Proteasome subunit alpha type-2

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 Q3T0Y5, Species BOVIN (Bos taurus, Bovine), Gene PSMA2, Length 234 aa.

Structure Viewer

Loading PAE data...

(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	51.2	Low	74.1	Confident	223 Å²	223	100.5 Å²	100.5	100%	1.099	52%	0.521	S	S	*	.				0	-41.4	0	-77.4	-171.7	178.7	0	0	112.6	E3 R4	M1-E3 PolarHBondContact O-N 3.41Å; M1-R4 PolarHBondContact O-N 3.2Å
2	A	59.8	Low	75.3	Confident	73 Å²	73	97.4 Å²	97.4	60%	0.603	51%	0.511	S	S	*	.	H	α-helix	trans	-57.4	-41.9	-179.2	0	0	0	0	0	114.7	R4 G5 Y6	A2-R4 VanDerWaalsContact C-N 3.28Å; A2-R4 PolarHBondContact O-N 2.99Å; A2-G5 PolarHBondContact O-N 2.99Å; A2-Y6 WeakPolarHBondContact O-CD2 3.48Å; A2-Y6 WeakPolarHBondContact O-CE2 3.42Å
3	E	62.8	Low	76.5	Confident	162 Å²	162	99.6 Å²	99.6	76%	0.757	51%	0.514	S	S	*	.	H	α-helix	trans	-58.4	-35.5	179.3	-75.8	-170.5	150	0	0	114.1	M1 G5 Y6 S7	M1-E3 PolarHBondContact O-N 3.41Å; E3-G5 PolarHBondContact O-N 3.28Å; E3-Y6 PolarHBondContact O-N 2.74Å; E3-S7 PolarHBondContact O-N 3.1Å
4	R	69	Low	77.5	Confident	199 Å²	199	93.4 Å²	93.4	75%	0.751	48%	0.484	S	S	*	.	H	α-helix	trans	-66.9	-24	178.7	-72	-171	-175.8	-177.7	1.1	112.7	M1 A2 S7 F8	M1-R4 PolarHBondContact O-N 3.2Å; A2-R4 VanDerWaalsContact C-N 3.28Å; A2-R4 PolarHBondContact O-N 2.99Å; R4-S7 PolarHBondContact O-OG 2.81Å; R4-F8 VanDerWaalsContact O-CD2 3.23Å; R4-F8 WeakPolarHBondContact O-CD2 3.43Å
5	G	75.8	Confident	78.4	Confident	52 Å²	52	94.5 Å²	94.5	54%	0.536	50%	0.499	S	S	.	.	H	α-helix	trans	-69.1	-41	175.7	0	0	0	0	0	111.9	A2 E3	A2-G5 PolarHBondContact O-N 2.99Å; E3-G5 PolarHBondContact O-N 3.28Å
6	Y	80.4	Confident	79.3	Confident	72 Å²	72	94.3 Å²	94.3	28%	0.282	51%	0.508	S	S	.	.	H	α-helix	trans	-72.1	-30.4	179.6	-59.2	-77	0	0	0	112.8	A2 E3 F8 S9 T12 F13 P15	A2-Y6 WeakPolarHBondContact O-CD2 3.48Å; A2-Y6 WeakPolarHBondContact O-CE2 3.42Å; E3-Y6 PolarHBondContact O-N 2.74Å; Y6-F8 PolarHBondContact O-N 2.82Å; Y6-S9 PolarHBondContact O-N 2.76Å; Y6-T12 HydrophobicContact CD1-CG2 3.68Å; Y6-T12 HydrophobicContact CE1-CG2 3.6Å; Y6-F13 WeakPolarHBondContact CD1-O 3.14Å; Y6-F13 WeakPolarHBondContact CE1-O 3.36Å; Y6-P15 HydrophobicContact CE2-CG 4.03Å
7	S	80	Confident	80	Confident	20 Å²	20	91.8 Å²	91.8	14%	0.14	51%	0.509	C	S	.	.	H	α-helix	trans	-64.6	-25.2	-177.5	59.9	0	0	0	0	113.9	E3 R4 Q21	E3-S7 PolarHBondContact O-N 3.1Å; R4-S7 PolarHBondContact O-OG 2.81Å; S7-Q21 PolarHBondContact O-NE2 3.46Å
8	F	80.8	Confident	80.6	Confident	167 Å²	167	91.9 Å²	91.9	73%	0.732	50%	0.503	S	S	*	.	H	α-helix	trans	-99.5	-13.8	177.6	-64	-74.7	0	0	0	113.5	R4 Y6	R4-F8 VanDerWaalsContact O-CD2 3.23Å; R4-F8 WeakPolarHBondContact O-CD2 3.43Å; Y6-F8 PolarHBondContact O-N 2.82Å
9	S	85.2	Confident	81.2	Confident	24 Å²	24	88.5 Å²	88.5	17%	0.168	48%	0.484	C	S	.	.			trans	-77.9	136	179	-171.7	0	0	0	0	110.8	Y6 T11 T12	Y6-S9 PolarHBondContact O-N 2.76Å; S9-T11 PolarHBondContact OG-N 3.28Å; S9-T12 WeakPolarHBondContact OG-CB 3.33Å; S9-T12 PolarHBondContact OG-N 3.12Å; S9-T12 PolarHBondContact OG-OG1 3.2Å
10	L	83.4	Confident	81.9	Confident	28 Å²	28	85.4 Å²	85.4	15%	0.147	47%	0.468	C	S	.	.	S	Bend	trans	-84.6	-32.3	173.2	-71.4	174.8	0	0	0	112.3	Q21 T122 S124 V127 P129	L10-Q21 HydrophobicContact CD2-CB 3.83Å; L10-Q21 HydrophobicContact CD2-CG 3.9Å; L10-T122 CarbonylContact C-O 3.4Å; L10-T122 WeakPolarHBondContact CB-O 3.39Å; L10-T122 VanDerWaalsContact O-O 3.1Å; L10-S124 WeakPolarHBondContact CD1-O 3.33Å; L10-V127 WeakPolarHBondContact CD1-O 3.34Å; L10-P129 HydrophobicContact CD2-CG 4.01Å
11	T	86.5	Confident	82.4	Confident	85 Å²	85	83.4 Å²	83.4	52%	0.521	46%	0.456	S	S	.	.	S	Bend	trans	-110.6	-9.5	-170.1	58.3	0	0	0	0	113.8	S9 Q123	S9-T11 PolarHBondContact OG-N 3.28Å; T11-Q123 HydrophobicContact CG2-CB 4.19Å; T11-Q123 HydrophobicContact CG2-CG 4.42Å
12	T	89.2	Confident	84.6	Confident	64 Å²	64	73.7 Å²	73.7	39%	0.393	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-97.7	119.8	-177.9	-45.1	0	0	0	0	110.6	Y6 S9	Y6-T12 HydrophobicContact CD1-CG2 3.68Å; Y6-T12 HydrophobicContact CE1-CG2 3.6Å; S9-T12 WeakPolarHBondContact OG-CB 3.33Å; S9-T12 PolarHBondContact OG-N 3.12Å; S9-T12 PolarHBondContact OG-OG1 3.2Å
13	F	90.2	Very high	86.3	Confident	126 Å²	126	73.8 Å²	73.8	55%	0.553	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-64.6	137.8	172.4	-69	-78.6	0	0	0	111.6	Y6 G17 K18 L19	Y6-F13 WeakPolarHBondContact CD1-O 3.14Å; Y6-F13 WeakPolarHBondContact CE1-O 3.36Å; F13-G17 WeakPolarHBondContact CD1-O 3.38Å; F13-K18 WeakPolarHBondContact CA-O 3.46Å; F13-L19 HydrophobicContact CD1-CD2 3.91Å; F13-L19 HydrophobicContact CD1-CG 4.04Å; F13-L19 HydrophobicContact CE1-CD1 4.43Å; F13-L19 HydrophobicContact CE1-CD2 4.03Å; F13-L19 HydrophobicContact CE1-CG 3.82Å; F13-L19 HydrophobicContact CG-CD2 4.2Å; F13-L19 HydrophobicContact CZ-CD2 4.4Å; F13-L19 HydrophobicContact CZ-CG 4.38Å
14	S	90.6	Very high	87.8	Confident	13 Å²	13	72.2 Å²	72.2	9%	0.091	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-62.2	165.1	165.5	66.5	0	0	0	0	111.1	S16 G17 K18	S14-S16 PolarHBondContact O-N 3.32Å; S14-S16 PolarHBondContact OG-N 3.16Å; S14-S16 PolarHBondContact OG-OG 3.12Å; S14-G17 PolarHBondContact O-N 3.32Å; S14-K18 PolarHBondContact N-O 2.92Å; S14-K18 PolarHBondContact OG-N 2.8Å; S14-K18 VanDerWaalsContact OG-N 3.11Å; S14-K18 PolarHBondContact OG-O 2.95Å
15	P	91.5	Very high	89.2	Confident	109 Å²	109	63.1 Å²	63.1	71%	0.708	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-20.9	171.3	-26.8	36	0	0	0	114.3	Y6 G17	Y6-P15 HydrophobicContact CE2-CG 4.03Å; P15-G17 VanDerWaalsContact C-N 3.34Å
16	S	91.9	Very high	90.2	Very high	92 Å²	92	63.4 Å²	63.4	64%	0.643	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	5.8	174.5	54.1	0	0	0	0	114.3	S14	S14-S16 PolarHBondContact O-N 3.32Å; S14-S16 PolarHBondContact OG-N 3.16Å; S14-S16 PolarHBondContact OG-OG 3.12Å
17	G	92.1	Very high	91.1	Very high	51 Å²	51	63 Å²	63	53%	0.526	35%	0.352	S	S	.	.	S	Bend	trans	78	21.7	177.5	0	0	0	0	0	114.7	F13 S14 P15	F13-G17 WeakPolarHBondContact CD1-O 3.38Å; S14-G17 PolarHBondContact O-N 3.32Å; P15-G17 VanDerWaalsContact C-N 3.34Å
18	K	91.1	Very high	91.9	Very high	94 Å²	94	63.8 Å²	63.8	41%	0.409	36%	0.36	S	S	.	.			trans	-112.8	148.1	-176.2	-65.2	-176.7	164.2	-156.3	0	112.8	F13 S14 E23	F13-K18 WeakPolarHBondContact CA-O 3.46Å; S14-K18 PolarHBondContact N-O 2.92Å; S14-K18 PolarHBondContact OG-N 2.8Å; S14-K18 VanDerWaalsContact OG-N 3.11Å; S14-K18 PolarHBondContact OG-O 2.95Å; K18-E23 HydrophobicContact CB-CG 4.33Å; K18-E23 HydrophobicContact CD-CG 4.1Å; K18-E23 IonicContact NZ-OE1 3.9Å; K18-E23 IonicContact NZ-OE2 2.77Å; K18-E23 PolarHBondContact NZ-OE2 3.12Å
19	L	92.3	Very high	92.7	Very high	28 Å²	28	56.2 Å²	56.2	15%	0.147	33%	0.327	C	S	.	.			trans	-89.2	103.1	163.8	-64.9	179.8	0	0	0	108.7	F13 Q21 I22 E23	F13-L19 HydrophobicContact CD1-CD2 3.91Å; F13-L19 HydrophobicContact CD1-CG 4.04Å; F13-L19 HydrophobicContact CE1-CD1 4.43Å; F13-L19 HydrophobicContact CE1-CD2 4.03Å; F13-L19 HydrophobicContact CE1-CG 3.82Å; F13-L19 HydrophobicContact CG-CD2 4.2Å; F13-L19 HydrophobicContact CZ-CD2 4.4Å; F13-L19 HydrophobicContact CZ-CG 4.38Å; L19-Q21 VanDerWaalsContact C-N 3.28Å; L19-Q21 PolarHBondContact O-N 3.22Å; L19-I22 HydrophobicContact CB-CB 4.3Å; L19-I22 HydrophobicContact CB-CD1 3.77Å; L19-I22 HydrophobicContact CB-CG1 3.93Å; L19-I22 HydrophobicContact CD1-CD1 3.58Å; L19-I22 HydrophobicContact CD1-CG1 4.49Å; L19-I22 HydrophobicContact CG-CD1 4.29Å; L19-I22 WeakPolarHBondContact O-CB 3.33Å; L19-I22 PolarHBondContact O-N 3.22Å; L19-E23 PolarHBondContact O-N 3.43Å
20	V	93.7	Very high	93.3	Very high	26 Å²	26	57.2 Å²	57.2	16%	0.158	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-34.9	-168.2	-175.7	0	0	0	0	112.5	I22 E23 Y24	V20-I22 VanDerWaalsContact C-N 3.26Å; V20-I22 PolarHBondContact O-N 3.42Å; V20-E23 WeakPolarHBondContact O-CB 3.39Å; V20-E23 PolarHBondContact O-N 3.38Å; V20-E23 VanDerWaalsContact O-N 3.14Å; V20-Y24 HydrophobicContact CG1-CD2 4.24Å; V20-Y24 HydrophobicContact CG1-CE1 4.09Å; V20-Y24 HydrophobicContact CG1-CE2 3.6Å; V20-Y24 VanDerWaalsContact CG1-CZ 3.49Å; V20-Y24 PolarHBondContact O-N 3.43Å
21	Q	94.3	Very high	93.9	Very high	44 Å²	44	59 Å²	59	21%	0.206	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-30.2	176.1	-73.8	-67.1	-37.9	0	0	113.1	S7 L10 L19 A25 P129	S7-Q21 PolarHBondContact O-NE2 3.46Å; L10-Q21 HydrophobicContact CD2-CB 3.83Å; L10-Q21 HydrophobicContact CD2-CG 3.9Å; L19-Q21 VanDerWaalsContact C-N 3.28Å; L19-Q21 PolarHBondContact O-N 3.22Å; Q21-A25 PolarHBondContact O-N 3.05Å; Q21-A25 VanDerWaalsContact O-N 3.1Å; Q21-P129 HydrophobicContact CB-CG 4.11Å
22	I	95.4	Very high	94.4	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-72.3	-39.4	173.9	-59.5	-177.6	0	0	0	110.1	L19 V20 Y24 A25 L26 T122 P129	L19-I22 HydrophobicContact CB-CB 4.3Å; L19-I22 HydrophobicContact CB-CD1 3.77Å; L19-I22 HydrophobicContact CB-CG1 3.93Å; L19-I22 HydrophobicContact CD1-CD1 3.58Å; L19-I22 HydrophobicContact CD1-CG1 4.49Å; L19-I22 HydrophobicContact CG-CD1 4.29Å; L19-I22 WeakPolarHBondContact O-CB 3.33Å; L19-I22 PolarHBondContact O-N 3.22Å; V20-I22 VanDerWaalsContact C-N 3.26Å; V20-I22 PolarHBondContact O-N 3.42Å; I22-Y24 VanDerWaalsContact C-N 3.3Å; I22-Y24 PolarHBondContact O-N 3.05Å; I22-A25 PolarHBondContact O-N 3.29Å; I22-L26 HydrophobicContact CG2-CD1 4.2Å; I22-L26 WeakPolarHBondContact O-CG 3.46Å; I22-L26 PolarHBondContact O-N 3.22Å; I22-T122 HydrophobicContact CD1-CG2 3.97Å; I22-T122 HydrophobicContact CG1-CG2 4.22Å; I22-P129 HydrophobicContact CG1-CG 4.5Å
23	E	95.6	Very high	94.7	Very high	74 Å²	74	53.9 Å²	53.9	35%	0.346	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-39.8	175.2	-57.8	-73.1	126.8	0	0	111.4	K18 L19 V20 L26 A27	K18-E23 HydrophobicContact CB-CG 4.33Å; K18-E23 HydrophobicContact CD-CG 4.1Å; K18-E23 IonicContact NZ-OE1 3.9Å; K18-E23 IonicContact NZ-OE2 2.77Å; K18-E23 PolarHBondContact NZ-OE2 3.12Å; L19-E23 PolarHBondContact O-N 3.43Å; V20-E23 WeakPolarHBondContact O-CB 3.39Å; V20-E23 PolarHBondContact O-N 3.38Å; V20-E23 VanDerWaalsContact O-N 3.14Å; E23-L26 PolarHBondContact O-N 2.92Å; E23-A27 WeakPolarHBondContact O-CB 3.35Å; E23-A27 PolarHBondContact O-N 3.23Å
24	Y	95.9	Very high	95	Very high	129 Å²	129	48.2 Å²	48.2	51%	0.506	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-40	173.9	-63.8	-31.8	0	0	0	112.8	V20 I22 A27 A28	V20-Y24 HydrophobicContact CG1-CD2 4.24Å; V20-Y24 HydrophobicContact CG1-CE1 4.09Å; V20-Y24 HydrophobicContact CG1-CE2 3.6Å; V20-Y24 VanDerWaalsContact CG1-CZ 3.49Å; V20-Y24 PolarHBondContact O-N 3.43Å; I22-Y24 VanDerWaalsContact C-N 3.3Å; I22-Y24 PolarHBondContact O-N 3.05Å; Y24-A27 WeakPolarHBondContact O-CB 3.37Å; Y24-A27 PolarHBondContact O-N 3.23Å; Y24-A28 PolarHBondContact O-N 3.28Å
25	A	97.5	Very high	95.4	Very high	8 Å²	8	47.6 Å²	47.6	7%	0.066	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-43.5	174.4	0	0	0	0	0	111.4	Q21 I22 A27 A28 V29 P129 P151	Q21-A25 PolarHBondContact O-N 3.05Å; Q21-A25 VanDerWaalsContact O-N 3.1Å; I22-A25 PolarHBondContact O-N 3.29Å; A25-A27 VanDerWaalsContact C-N 3.33Å; A25-A27 PolarHBondContact O-N 2.89Å; A25-A28 WeakPolarHBondContact O-CB 3.46Å; A25-A28 PolarHBondContact O-N 3.3Å; A25-A28 VanDerWaalsContact O-N 3.12Å; A25-V29 WeakPolarHBondContact O-CG2 3.48Å; A25-V29 PolarHBondContact O-N 2.96Å; A25-P129 HydrophobicContact CB-CB 4.19Å; A25-P151 HydrophobicContact CB-CB 3.57Å; A25-P151 HydrophobicContact CB-CG 3.76Å
26	L	97.8	Very high	95.7	Very high	59 Å²	59	42.5 Å²	42.5	31%	0.309	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-35.4	174.8	-75.4	169.2	0	0	0	112.5	I22 E23 A28 V29 A30 D150 P151	I22-L26 HydrophobicContact CG2-CD1 4.2Å; I22-L26 WeakPolarHBondContact O-CG 3.46Å; I22-L26 PolarHBondContact O-N 3.22Å; E23-L26 PolarHBondContact O-N 2.92Å; L26-A28 VanDerWaalsContact C-N 3.32Å; L26-V29 WeakPolarHBondContact O-CB 3.14Å; L26-V29 PolarHBondContact O-N 2.85Å; L26-A30 PolarHBondContact O-N 3.13Å; L26-D150 HydrophobicContact CD2-CB 4.34Å; L26-P151 HydrophobicContact CD2-CG 4.23Å; L26-P151 HydrophobicContact CG-CG 4.38Å
27	A	97.6	Very high	96.1	Very high	63 Å²	63	38.1 Å²	38.1	52%	0.521	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-39.1	172.1	0	0	0	0	0	111.7	E23 Y24 A25 V29 A30 G31	E23-A27 WeakPolarHBondContact O-CB 3.35Å; E23-A27 PolarHBondContact O-N 3.23Å; Y24-A27 WeakPolarHBondContact O-CB 3.37Å; Y24-A27 PolarHBondContact O-N 3.23Å; A25-A27 VanDerWaalsContact C-N 3.33Å; A25-A27 PolarHBondContact O-N 2.89Å; A27-V29 VanDerWaalsContact C-N 3.33Å; A27-A30 PolarHBondContact O-N 3.46Å; A27-G31 PolarHBondContact O-N 2.68Å
28	A	97.7	Very high	96.4	Very high	37 Å²	37	35.7 Å²	35.7	31%	0.306	22%	0.218	S	C	.	.	H	α-helix	trans	-64.4	-37	172.9	0	0	0	0	0	112.2	Y24 A25 L26 G31 G32	Y24-A28 PolarHBondContact O-N 3.28Å; A25-A28 WeakPolarHBondContact O-CB 3.46Å; A25-A28 PolarHBondContact O-N 3.3Å; A25-A28 VanDerWaalsContact O-N 3.12Å; L26-A28 VanDerWaalsContact C-N 3.32Å; A28-G31 PolarHBondContact O-N 2.79Å; A28-G32 PolarHBondContact O-N 3.17Å; A28-G32 VanDerWaalsContact O-N 3.17Å
29	V	98.3	Very high	96.7	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.048	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-50.6	171.8	176.8	0	0	0	0	110.7	A25 L26 A27 G31 G32 V132 P151 G164	A25-V29 WeakPolarHBondContact O-CG2 3.48Å; A25-V29 PolarHBondContact O-N 2.96Å; L26-V29 WeakPolarHBondContact O-CB 3.14Å; L26-V29 PolarHBondContact O-N 2.85Å; A27-V29 VanDerWaalsContact C-N 3.33Å; V29-G31 PolarHBondContact O-N 2.5Å; V29-G32 WeakPolarHBondContact O-CA 3.32Å; V29-G32 PolarHBondContact O-N 3.28Å; V29-V132 VanDerWaalsContact CG2-C 3.42Å; V29-P151 HydrophobicContact CG2-CG 4.06Å; V29-G164 WeakPolarHBondContact O-CA 3.28Å
30	A	97.6	Very high	97	Very high	44 Å²	44	33.3 Å²	33.3	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-63.1	-27.5	-178.8	0	0	0	0	0	113.2	L26 A27 G164 K165	L26-A30 PolarHBondContact O-N 3.13Å; A27-A30 PolarHBondContact O-N 3.46Å; A30-G164 CarbonylContact O-C 3.59Å; A30-K165 WeakPolarHBondContact O-CA 3.09Å; A30-K165 PolarHBondContact O-N 2.92Å
31	G	95.8	Very high	97.2	Very high	66 Å²	66	34.5 Å²	34.5	68%	0.68	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-9.1	171.2	0	0	0	0	0	114.7	A27 A28 V29	A27-G31 PolarHBondContact O-N 2.68Å; A28-G31 PolarHBondContact O-N 2.79Å; V29-G31 PolarHBondContact O-N 2.5Å
32	G	96	Very high	97.3	Very high	9 Å²	9	35.3 Å²	35.3	9%	0.093	23%	0.226	C	C	.	.	S	Bend	trans	-76.4	163.3	179.8	0	0	0	0	0	113.3	A28 V29 G164 K165	A28-G32 PolarHBondContact O-N 3.17Å; A28-G32 VanDerWaalsContact O-N 3.17Å; V29-G32 WeakPolarHBondContact O-CA 3.32Å; V29-G32 PolarHBondContact O-N 3.28Å; G32-G164 CarbonylContact O-C 3.55Å; G32-K165 PolarHBondContact O-N 2.82Å
33	A	95.8	Very high	97.5	Very high	32 Å²	32	34.4 Å²	34.4	26%	0.264	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-58.9	139.5	176.3	0	0	0	0	0	111.6	E49 K64 S77	A33-E49 HydrophobicContact CB-CB 4.29Å; A33-K64 VanDerWaalsContact CB-NZ 3.31Å; A33-S77 WeakPolarHBondContact O-CB 3.32Å; A33-S77 PolarHBondContact O-OG 3.27Å
34	P	97.4	Very high	97.6	Very high	7 Å²	7	30.9 Å²	30.9	5%	0.045	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-60.7	141.4	-178.4	26.5	-35.1	0	0	0	111.5	T48 E49 M163 L195	P34-T48 WeakPolarHBondContact O-CA 3.44Å; P34-T48 PolarHBondContact O-OG1 2.9Å; P34-E49 WeakPolarHBondContact CD-OE2 3.44Å; P34-E49 HydrophobicContact CG-CB 3.87Å; P34-E49 WeakPolarHBondContact CG-OE2 3.36Å; P34-E49 PolarHBondContact O-N 3.29Å; P34-E49 VanDerWaalsContact O-N 3.07Å; P34-M163 CarbonylContact C-O 3.54Å; P34-M163 VanDerWaalsContact CA-O 3.31Å; P34-M163 WeakPolarHBondContact CA-O 3.43Å; P34-L195 HydrophobicContact CB-CD2 4.01Å; P34-L195 HydrophobicContact CG-CD2 4.19Å
35	S	98.5	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.2	172.5	-50.9	0	0	0	0	109.8	A47 T48 Y76 S77 A162 M163	S35-A47 CarbonylContact C-O 3.56Å; S35-A47 VanDerWaalsContact CA-O 3.28Å; S35-A47 WeakPolarHBondContact CA-O 3.45Å; S35-T48 PolarHBondContact OG-OG1 3.37Å; S35-Y76 PolarHBondContact OG-O 2.9Å; S35-S77 WeakPolarHBondContact CB-OG 3.13Å; S35-S77 PolarHBondContact OG-OG 3.44Å; S35-A162 CarbonylContact O-C 3.54Å; S35-A162 WeakPolarHBondContact O-CA 3.17Å; S35-M163 VanDerWaalsContact CB-CE 3.44Å; S35-M163 PolarHBondContact N-O 3.32Å; S35-M163 PolarHBondContact O-N 3.15Å
36	V	98.7	Very high	97.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.9	-174.7	178.2	0	0	0	0	108.6	I38 L46 A47 T161 A162 L174 A191 T194 L195	V36-I38 HydrophobicContact CG1-CD1 4.25Å; V36-I38 HydrophobicContact CG1-CG1 3.96Å; V36-L46 CarbonylContact O-C 3.58Å; V36-L46 WeakPolarHBondContact O-CA 3.46Å; V36-A47 PolarHBondContact N-O 3.5Å; V36-A47 PolarHBondContact O-N 3.14Å; V36-T161 WeakPolarHBondContact CA-O 3.44Å; V36-A162 HydrophobicContact CG2-CB 4.19Å; V36-L174 HydrophobicContact CG1-CD1 4.19Å; V36-L174 HydrophobicContact CG1-CD2 4.23Å; V36-A191 HydrophobicContact CG1-CB 4.09Å; V36-T194 HydrophobicContact CG1-CG2 4.24Å; V36-T194 HydrophobicContact CG2-CG2 3.64Å; V36-L195 HydrophobicContact CG2-CD2 3.76Å; V36-L195 HydrophobicContact CG2-CG 4.16Å
37	G	98.7	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.9	169.9	0	0	0	0	0	110.3	V45 L146 A160 T161	G37-V45 VanDerWaalsContact CA-O 3.28Å; G37-V45 WeakPolarHBondContact CA-O 3.35Å; G37-L146 VanDerWaalsContact C-CD2 3.41Å; G37-L146 WeakPolarHBondContact O-CD2 3.31Å; G37-A160 CarbonylContact O-C 3.54Å; G37-A160 VanDerWaalsContact O-CA 3.23Å; G37-A160 WeakPolarHBondContact O-CA 3.46Å; G37-T161 PolarHBondContact N-O 3.31Å; G37-T161 PolarHBondContact O-N 2.96Å
38	I	98.8	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.6	178.9	-50	-177.9	0	0	0	109.1	V36 V44 V45 A160 L174 Y178 L182 A187 T190 A191	V36-I38 HydrophobicContact CG1-CD1 4.25Å; V36-I38 HydrophobicContact CG1-CG1 3.96Å; I38-V44 WeakPolarHBondContact O-CA 3.43Å; I38-V44 WeakPolarHBondContact O-CG1 3.26Å; I38-V45 HydrophobicContact CB-CG1 3.82Å; I38-V45 HydrophobicContact CG1-CG1 4.32Å; I38-V45 PolarHBondContact N-O 3.46Å; I38-V45 PolarHBondContact O-N 3.38Å; I38-A160 HydrophobicContact CB-CB 4.42Å; I38-A160 HydrophobicContact CG1-CB 4.21Å; I38-A160 HydrophobicContact CG2-CB 4.19Å; I38-L174 HydrophobicContact CD1-CD2 3.48Å; I38-L174 VanDerWaalsContact CD1-CD2 3.48Å; I38-L174 HydrophobicContact CG1-CD2 3.89Å; I38-Y178 HydrophobicContact CG2-CD2 4.07Å; I38-Y178 HydrophobicContact CG2-CE2 4.29Å; I38-L182 HydrophobicContact CG2-CD2 3.74Å; I38-A187 HydrophobicContact CB-CB 4.32Å; I38-A187 HydrophobicContact CG2-CB 4.04Å; I38-T190 HydrophobicContact CD1-CG2 3.73Å; I38-A191 HydrophobicContact CD1-CB 3.85Å; I38-A191 HydrophobicContact CG1-CB 4.35Å
39	K	98.4	Very high	97.8	Very high	66 Å²	66	17.1 Å²	17.1	29%	0.287	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	109	173.6	-172.6	-178.6	64.8	143.4	0	109.4	V44 P144 L146 K159 Y178	K39-V44 HydrophobicContact CG-CG2 4.3Å; K39-P144 HydrophobicContact CD-CB 4.4Å; K39-P144 HydrophobicContact CD-CG 4.15Å; K39-P144 WeakPolarHBondContact CD-O 3.43Å; K39-P144 HydrophobicContact CG-CB 3.92Å; K39-P144 HydrophobicContact CG-CG 3.82Å; K39-L146 HydrophobicContact CB-CB 4.42Å; K39-K159 VanDerWaalsContact CB-O 3.24Å; K39-K159 WeakPolarHBondContact CB-O 3.45Å; K39-K159 PolarHBondContact N-O 2.87Å; K39-Y178 WeakPolarHBondContact O-CE2 3.29Å
40	A	98.2	Very high	97.5	Very high	5 Å²	5	18 Å²	18	4%	0.041	13%	0.128	C	C	.	.			trans	-82.8	172.3	169.1	0	0	0	0	0	110.9	G43 P144 L182 L184 A187	A40-G43 CarbonylContact C-O 3.54Å; A40-G43 WeakPolarHBondContact CA-O 3.4Å; A40-G43 WeakPolarHBondContact CB-O 3.11Å; A40-G43 PolarHBondContact N-O 3.44Å; A40-G43 VanDerWaalsContact O-O 3.09Å; A40-P144 VanDerWaalsContact O-CG 3.25Å; A40-P144 WeakPolarHBondContact O-CG 3.2Å; A40-L182 CarbonylContact C-O 3.53Å; A40-L182 WeakPolarHBondContact CA-O 3.24Å; A40-L182 WeakPolarHBondContact CB-O 3.23Å; A40-L184 HydrophobicContact CB-CB 4.41Å; A40-A187 HydrophobicContact CB-CB 3.97Å
41	A	97	Very high	96.7	Very high	51 Å²	51	21 Å²	21	42%	0.421	13%	0.133	S	C	.	.	S	Bend	trans	-63.9	-42	174.2	0	0	0	0	0	111.9	L182	A41-L182 PolarHBondContact N-O 3.41Å
42	N	97.5	Very high	95.7	Very high	61 Å²	61	22.3 Å²	22.3	33%	0.326	12%	0.121	S	C	.	.	S	Bend	trans	-106.6	11.4	-176.3	64.6	-17.2	0	0	0	114.3	W139 E183 L184 N214	N42-W139 WeakPolarHBondContact O-CZ3 3.22Å; N42-E183 PolarHBondContact ND2-OE2 3.18Å; N42-E183 PolarHBondContact OD1-OE2 2.93Å; N42-L184 VanDerWaalsContact OD1-CB 3.28Å; N42-L184 WeakPolarHBondContact OD1-CB 3.27Å; N42-L184 PolarHBondContact OD1-N 3.25Å; N42-N214 VanDerWaalsContact O-CB 3.28Å; N42-N214 WeakPolarHBondContact O-CB 3.33Å
43	G	98.4	Very high	94.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.			trans	175.7	-169.5	178	0	0	0	0	0	115.3	A40 P144 C213	A40-G43 CarbonylContact C-O 3.54Å; A40-G43 WeakPolarHBondContact CA-O 3.4Å; A40-G43 WeakPolarHBondContact CB-O 3.11Å; A40-G43 PolarHBondContact N-O 3.44Å; A40-G43 VanDerWaalsContact O-O 3.09Å; G43-P144 WeakPolarHBondContact O-CB 3.45Å; G43-C213 CarbonylContact C-O 3.58Å; G43-C213 WeakPolarHBondContact CA-O 3.12Å
44	V	98.8	Very high	94	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.5	174.4	-169.8	0	0	0	0	108.7	I38 K39 C137 P144 L146 I212 C213	I38-V44 WeakPolarHBondContact O-CA 3.43Å; I38-V44 WeakPolarHBondContact O-CG1 3.26Å; K39-V44 HydrophobicContact CG-CG2 4.3Å; V44-C137 HydrophobicContact CB-CB 3.93Å; V44-C137 HydrophobicContact CG1-CB 3.55Å; V44-C137 HydrophobicContact CG2-CB 4.43Å; V44-P144 HydrophobicContact CG2-CB 3.42Å; V44-P144 VanDerWaalsContact CG2-CB 3.42Å; V44-L146 HydrophobicContact CG1-CB 4.09Å; V44-L146 HydrophobicContact CG1-CD1 4.16Å; V44-I212 CarbonylContact O-C 3.55Å; V44-I212 VanDerWaalsContact O-CA 3.31Å; V44-I212 WeakPolarHBondContact O-CA 3.35Å; V44-C213 PolarHBondContact N-O 3.49Å; V44-C213 PolarHBondContact O-N 3.39Å
45	V	98.9	Very high	93.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.3	169.5	60.2	0	0	0	0	110.4	G37 I38 L184 A187 I188 A191 V210 G211 I212	G37-V45 VanDerWaalsContact CA-O 3.28Å; G37-V45 WeakPolarHBondContact CA-O 3.35Å; I38-V45 HydrophobicContact CB-CG1 3.82Å; I38-V45 HydrophobicContact CG1-CG1 4.32Å; I38-V45 PolarHBondContact N-O 3.46Å; I38-V45 PolarHBondContact O-N 3.38Å; V45-L184 HydrophobicContact CB-CD1 4.43Å; V45-A187 HydrophobicContact CG1-CB 3.92Å; V45-I188 HydrophobicContact CB-CG1 4.04Å; V45-I188 HydrophobicContact CG2-CB 4.44Å; V45-I188 HydrophobicContact CG2-CG1 3.8Å; V45-A191 HydrophobicContact CG1-CB 3.95Å; V45-A191 HydrophobicContact CG2-CB 4.32Å; V45-V210 HydrophobicContact CG2-CG1 3.63Å; V45-G211 CarbonylContact C-O 3.45Å; V45-G211 WeakPolarHBondContact CA-O 3.22Å; V45-I212 HydrophobicContact CB-CG2 4.42Å; V45-I212 HydrophobicContact CG2-CG2 4.27Å
46	L	98.9	Very high	93	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.6	165.7	-62.5	179.5	0	0	0	107.6	V36 V75 L135 C137 L146 V210 G211 F218	V36-L46 CarbonylContact O-C 3.58Å; V36-L46 WeakPolarHBondContact O-CA 3.46Å; L46-V75 HydrophobicContact CB-CB 4.46Å; L46-V75 HydrophobicContact CB-CG1 3.98Å; L46-V75 HydrophobicContact CD1-CB 4.29Å; L46-V75 HydrophobicContact CD1-CG1 3.94Å; L46-V75 HydrophobicContact CD2-CG1 3.97Å; L46-V75 HydrophobicContact CG-CG1 4.18Å; L46-L135 HydrophobicContact CD2-CB 3.83Å; L46-L135 HydrophobicContact CD2-CD1 4.38Å; L46-C137 HydrophobicContact CD1-CB 4.1Å; L46-C137 WeakPolarHBondContact CD1-SG 3.26Å; L46-C137 HydrophobicContact CD2-CB 4.19Å; L46-C137 HydrophobicContact CG-CB 4.12Å; L46-L146 HydrophobicContact CD2-CD1 3.86Å; L46-V210 CarbonylContact O-C 3.52Å; L46-V210 WeakPolarHBondContact O-CA 3.36Å; L46-G211 PolarHBondContact N-O 3.25Å; L46-G211 PolarHBondContact O-N 3.14Å; L46-F218 HydrophobicContact CD1-CE2 4.31Å
47	A	98.6	Very high	92.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.2	176.9	0	0	0	0	0	109.9	S35 V36 A191 L195 E209 V210	S35-A47 CarbonylContact C-O 3.56Å; S35-A47 VanDerWaalsContact CA-O 3.28Å; S35-A47 WeakPolarHBondContact CA-O 3.45Å; V36-A47 PolarHBondContact N-O 3.5Å; V36-A47 PolarHBondContact O-N 3.14Å; A47-A191 HydrophobicContact CB-CB 3.92Å; A47-L195 HydrophobicContact CB-CD1 3.74Å; A47-L195 HydrophobicContact CB-CG 4.48Å; A47-E209 CarbonylContact C-O 3.58Å; A47-E209 WeakPolarHBondContact CA-O 3.48Å; A47-V210 HydrophobicContact CB-CG2 4.18Å
48	T	98.2	Very high	91.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	149.3	179.8	-166.2	0	0	0	0	112.5	P34 S35 K64 V65 V75 I208 E209	P34-T48 WeakPolarHBondContact O-CA 3.44Å; P34-T48 PolarHBondContact O-OG1 2.9Å; S35-T48 PolarHBondContact OG-OG1 3.37Å; T48-K64 HydrophobicContact CG2-CB 3.62Å; T48-K64 HydrophobicContact CG2-CD 4.09Å; T48-K64 HydrophobicContact CG2-CG 4.49Å; T48-K64 PolarHBondContact OG1-NZ 3.42Å; T48-V65 HydrophobicContact CG2-CG2 3.8Å; T48-V75 HydrophobicContact CG2-CG2 3.67Å; T48-I208 CarbonylContact O-C 3.54Å; T48-I208 VanDerWaalsContact O-CA 3.3Å; T48-I208 WeakPolarHBondContact O-CA 3.43Å; T48-E209 HydrophobicContact CG2-CB 4.14Å; T48-E209 PolarHBondContact N-O 3.24Å; T48-E209 PolarHBondContact O-N 2.88Å
49	E	95.8	Very high	91	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133	170.1	175.7	179.7	-170.2	0	0	110.8	A33 P34 K51 K64 F199	A33-E49 HydrophobicContact CB-CB 4.29Å; P34-E49 WeakPolarHBondContact CD-OE2 3.44Å; P34-E49 HydrophobicContact CG-CB 3.87Å; P34-E49 WeakPolarHBondContact CG-OE2 3.36Å; P34-E49 PolarHBondContact O-N 3.29Å; P34-E49 VanDerWaalsContact O-N 3.07Å; E49-K51 HydrophobicContact CG-CG 4.02Å; E49-K51 WeakPolarHBondContact OE1-CE 3.38Å; E49-K51 WeakPolarHBondContact OE1-CG 3.44Å; E49-K64 VanDerWaalsContact O-CD 3.26Å; E49-K64 WeakPolarHBondContact O-CD 3.27Å; E49-K64 PolarHBondContact O-NZ 3Å; E49-F199 HydrophobicContact CB-CE2 4.27Å; E49-F199 HydrophobicContact CG-CD2 4.27Å; E49-F199 HydrophobicContact CG-CE2 3.73Å
50	K	91.8	Very high	90.2	Very high	27 Å²	27	63.7 Å²	63.7	12%	0.117	31%	0.31	C	S	.	.			trans	-122.9	79.9	176.7	-173.6	-177	175.3	178.7	0	109.5	Q52 E59 V62 K64 N207	K50-Q52 PolarHBondContact O-N 3.31Å; K50-E59 PolarHBondContact NZ-O 3.02Å; K50-V62 WeakPolarHBondContact CE-O 3.44Å; K50-V62 PolarHBondContact NZ-O 3.22Å; K50-K64 HydrophobicContact CB-CD 4.41Å; K50-N207 CarbonylContact C-O 3.58Å; K50-N207 WeakPolarHBondContact CA-O 3.47Å; K50-N207 PolarHBondContact N-O 2.82Å; K50-N207 CarbonylContact O-C 3.52Å; K50-N207 VanDerWaalsContact O-CA 3.29Å; K50-N207 WeakPolarHBondContact O-CA 3.41Å
51	K	81.2	Confident	89.6	Confident	107 Å²	107	67 Å²	67	47%	0.465	33%	0.333	S	S	.	.			trans	-57.5	121.7	178.2	-71.3	-166.4	172.7	-166.9	0	111.8	E49 E200	E49-K51 HydrophobicContact CG-CG 4.02Å; E49-K51 WeakPolarHBondContact OE1-CE 3.38Å; E49-K51 WeakPolarHBondContact OE1-CG 3.44Å; K51-E200 IonicContact NZ-OE2 2.82Å; K51-E200 PolarHBondContact NZ-OE2 3.45Å
52	Q	73.6	Confident	89.1	Confident	92 Å²	92	66.7 Å²	66.7	43%	0.43	33%	0.326	S	S	.	.			trans	-76.6	130.6	168	-64.2	-170.5	-4.6	0	0	110.2	K50 D206	K50-Q52 PolarHBondContact O-N 3.31Å; Q52-D206 PolarHBondContact NE2-O 3.28Å
53	K	72.5	Confident	88.9	Confident	186 Å²	186	66 Å²	66	81%	0.809	32%	0.32	S	S	*	.			trans	-96.8	-23.3	-176.1	-65.1	-174.5	179.3	-176.3	0	113.6
54	S	84.2	Confident	88.8	Confident	54 Å²	54	66.7 Å²	66.7	38%	0.378	32%	0.323	S	S	.	.			trans	-171.8	154.6	-175.1	-179	0	0	0	0	110.5	L56 Y57	S54-L56 PolarHBondContact O-N 3.43Å; S54-L56 PolarHBondContact OG-N 3.24Å; S54-L56 VanDerWaalsContact OG-N 3.12Å; S54-Y57 WeakPolarHBondContact O-CB 3.01Å; S54-Y57 PolarHBondContact O-N 2.93Å; S54-Y57 VanDerWaalsContact O-N 3.1Å
55	I	85.2	Confident	88.8	Confident	171 Å²	171	66.7 Å²	66.7	88%	0.877	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.9	166.8	63	168.8	0	0	0	113.3	Y57	I55-Y57 VanDerWaalsContact C-N 3.29Å
56	L	90.6	Very high	88.7	Confident	154 Å²	154	68.4 Å²	68.4	81%	0.806	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.8	176.6	-56.5	179.1	0	0	0	112.4	S54	S54-L56 PolarHBondContact O-N 3.43Å; S54-L56 PolarHBondContact OG-N 3.24Å; S54-L56 VanDerWaalsContact OG-N 3.12Å
57	Y	84.6	Confident	88.7	Confident	74 Å²	74	70.7 Å²	70.7	29%	0.29	35%	0.346	S	S	.	.	S	Bend	trans	-85.8	122.7	179.8	-179.8	-107.4	0	0	0	109.4	S54 I55 E59 V62	S54-Y57 WeakPolarHBondContact O-CB 3.01Å; S54-Y57 PolarHBondContact O-N 2.93Å; S54-Y57 VanDerWaalsContact O-N 3.1Å; I55-Y57 VanDerWaalsContact C-N 3.29Å; Y57-E59 HydrophobicContact CD1-CB 4.34Å; Y57-E59 HydrophobicContact CE1-CB 4.33Å; Y57-E59 PolarHBondContact O-N 3.17Å; Y57-E59 VanDerWaalsContact O-N 3.16Å; Y57-V62 WeakPolarHBondContact OH-CB 3.43Å; Y57-V62 VanDerWaalsContact OH-CG2 3.31Å; Y57-V62 WeakPolarHBondContact OH-CG2 3.32Å
58	D	86.6	Confident	88.7	Confident	92 Å²	92	71.2 Å²	71.2	49%	0.492	35%	0.349	S	S	.	.			trans	-76.4	100.2	171	178.8	-3	0	0	0	109.6	R60 S61	D58-R60 PolarHBondContact O-N 3.32Å; D58-R60 WeakPolarHBondContact OD1-CB 3.11Å; D58-R60 PolarHBondContact OD1-N 3.48Å; D58-S61 WeakPolarHBondContact O-CB 3.5Å; D58-S61 PolarHBondContact O-N 3.49Å; D58-S61 PolarHBondContact O-OG 2.91Å; D58-S61 PolarHBondContact OD1-N 3.21Å
59	E	81.4	Confident	88.7	Confident	60 Å²	60	72.5 Å²	72.5	28%	0.28	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-64.7	-21.3	-179.7	69.3	-80.2	164.6	0	0	113.6	K50 Y57 S61	K50-E59 PolarHBondContact NZ-O 3.02Å; Y57-E59 HydrophobicContact CD1-CB 4.34Å; Y57-E59 HydrophobicContact CE1-CB 4.33Å; Y57-E59 PolarHBondContact O-N 3.17Å; Y57-E59 VanDerWaalsContact O-N 3.16Å; E59-S61 VanDerWaalsContact C-N 3.26Å; E59-S61 PolarHBondContact O-N 3.46Å
60	R	82.7	Confident	88.8	Confident	196 Å²	196	81.1 Å²	81.1	74%	0.74	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-78.6	-15.6	-179.4	-56.4	178.6	-177.1	-176.3	-1.5	112.2	D58 H63	D58-R60 PolarHBondContact O-N 3.32Å; D58-R60 WeakPolarHBondContact OD1-CB 3.11Å; D58-R60 PolarHBondContact OD1-N 3.48Å; R60-H63 PolarHBondContact O-NE2 2.78Å
61	S	85.7	Confident	89.1	Confident	75 Å²	75	81.2 Å²	81.2	52%	0.524	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-77.4	-19.9	-179.2	71.3	0	0	0	0	114.1	D58 E59	D58-S61 WeakPolarHBondContact O-CB 3.5Å; D58-S61 PolarHBondContact O-N 3.49Å; D58-S61 PolarHBondContact O-OG 2.91Å; D58-S61 PolarHBondContact OD1-N 3.21Å; E59-S61 VanDerWaalsContact C-N 3.26Å; E59-S61 PolarHBondContact O-N 3.46Å
62	V	86.8	Confident	89.9	Confident	44 Å²	44	76.1 Å²	76.1	27%	0.267	37%	0.373	S	S	.	.			trans	-135.3	124.9	-176.5	-175.4	0	0	0	0	111	K50 Y57	K50-V62 WeakPolarHBondContact CE-O 3.44Å; K50-V62 PolarHBondContact NZ-O 3.22Å; Y57-V62 WeakPolarHBondContact OH-CB 3.43Å; Y57-V62 VanDerWaalsContact OH-CG2 3.31Å; Y57-V62 WeakPolarHBondContact OH-CG2 3.32Å
63	H	93.1	Very high	91.1	Very high	46 Å²	46	71.7 Å²	71.7	21%	0.213	35%	0.352	C	S	.	.			trans	-114.1	143.6	173.8	-60.2	-82.7	0	0	0	110.5	R60 E209 R220	R60-H63 PolarHBondContact O-NE2 2.78Å; H63-E209 WeakPolarHBondContact CB-OE1 3.49Å; H63-E209 IonicContact CE1-OE1 2.69Å; H63-E209 IonicContact CG-OE1 2.78Å; H63-E209 IonicContact ND1-OE1 2.76Å; H63-E209 PolarHBondContact ND1-OE1 2.61Å; H63-R220 VanDerWaalsContact CB-NH1 3.27Å; H63-R220 PolarHBondContact CD2-NH1 2.75Å; H63-R220 VanDerWaalsContact CE1-CZ 3.45Å; H63-R220 PolarHBondContact CE1-NH1 2.9Å; H63-R220 PolarHBondContact CE1-NH2 3.02Å; H63-R220 PolarHBondContact ND1-NH1 3.29Å; H63-R220 VanDerWaalsContact ND1-NH1 3.15Å; H63-R220 PolarHBondContact NE2-NH1 3.33Å; H63-R220 PolarHBondContact NE2-NH2 3.1Å
64	K	96.6	Very high	92.4	Very high	14 Å²	14	62.9 Å²	62.9	6%	0.061	31%	0.314	C	S	.	.	S	Bend	trans	-96	-21.2	171.3	-65.6	-171.1	72.9	-153.4	0	111.7	A33 T48 E49 K50 V75 Y76 Y83 E209	A33-K64 VanDerWaalsContact CB-NZ 3.31Å; T48-K64 HydrophobicContact CG2-CB 3.62Å; T48-K64 HydrophobicContact CG2-CD 4.09Å; T48-K64 HydrophobicContact CG2-CG 4.49Å; T48-K64 PolarHBondContact OG1-NZ 3.42Å; E49-K64 VanDerWaalsContact O-CD 3.26Å; E49-K64 WeakPolarHBondContact O-CD 3.27Å; E49-K64 PolarHBondContact O-NZ 3Å; K50-K64 HydrophobicContact CB-CD 4.41Å; K64-V75 WeakPolarHBondContact O-CA 3.41Å; K64-V75 WeakPolarHBondContact O-CG2 3.42Å; K64-Y76 HydrophobicContact CB-CD1 4.49Å; K64-Y76 HydrophobicContact CB-CE1 4.05Å; K64-Y76 HydrophobicContact CD-CE1 4.44Å; K64-Y76 HydrophobicContact CG-CE1 3.89Å; K64-Y83 PolarHBondContact O-OH 2.99Å; K64-E209 PolarHBondContact N-OE2 3.4Å
65	V	98.1	Very high	93.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.6	174.7	-176.6	0	0	0	0	109.1	T48 L74 V75 E209 F218 R220	T48-V65 HydrophobicContact CG2-CG2 3.8Å; V65-L74 CarbonylContact C-O 3.57Å; V65-L74 WeakPolarHBondContact CA-O 3.44Å; V65-V75 HydrophobicContact CG2-CB 4.15Å; V65-V75 HydrophobicContact CG2-CG2 3.81Å; V65-E209 HydrophobicContact CB-CG 3.92Å; V65-E209 HydrophobicContact CG2-CB 4.07Å; V65-E209 HydrophobicContact CG2-CG 3.79Å; V65-E209 PolarHBondContact N-OE2 2.95Å; V65-F218 HydrophobicContact CG1-CE1 4.26Å; V65-F218 HydrophobicContact CG1-CZ 3.56Å; V65-R220 HydrophobicContact CB-CG 4.45Å; V65-R220 HydrophobicContact CG1-CG 4.25Å; V65-R220 WeakPolarHBondContact O-CD 3.48Å; V65-R220 PolarHBondContact O-NH1 2.9Å
66	E	97.9	Very high	93.7	Very high	37 Å²	37	53.5 Å²	53.5	17%	0.173	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.3	-174.3	-73.4	-78.7	176.3	0	0	112.8	G73 L74 Y83 V87 R91	E66-G73 WeakPolarHBondContact O-CA 3.25Å; E66-L74 PolarHBondContact N-O 3.25Å; E66-L74 PolarHBondContact O-N 2.89Å; E66-Y83 WeakPolarHBondContact CB-OH 3.5Å; E66-Y83 HydrophobicContact CG-CE1 4.16Å; E66-Y83 WeakPolarHBondContact CG-OH 3.44Å; E66-Y83 PolarHBondContact N-OH 3.38Å; E66-V87 HydrophobicContact CB-CG1 4.21Å; E66-V87 HydrophobicContact CB-CG2 4.24Å; E66-V87 HydrophobicContact CG-CG1 4.37Å; E66-V87 HydrophobicContact CG-CG2 4.36Å; E66-R91 IonicContact OE2-CZ 2.75Å; E66-R91 IonicContact OE2-NH2 3.87Å; E66-R91 PolarHBondContact OE2-NH2 2.91Å
67	P	98.1	Very high	94.1	Very high	48 Å²	48	46.2 Å²	46.2	31%	0.312	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.3	164.6	27.4	-32.2	0	0	0	110.2	R91 F218	P67-R91 PolarHBondContact O-NE 2.71Å; P67-R91 VanDerWaalsContact O-NE 3.12Å; P67-R91 PolarHBondContact O-NH2 2.86Å; P67-F218 HydrophobicContact CB-CD1 3.82Å; P67-F218 HydrophobicContact CB-CE1 4.23Å
68	I	98.5	Very high	94.7	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.056	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-44.3	170.2	-54	-54.1	0	0	0	110.4	I72 L74 V87 A90 R91 L110	I68-I72 HydrophobicContact CB-CG2 4.25Å; I68-I72 HydrophobicContact CG1-CG2 4.49Å; I68-I72 PolarHBondContact N-O 3.02Å; I68-L74 HydrophobicContact CD1-CB 3.99Å; I68-L74 HydrophobicContact CD1-CD1 4.13Å; I68-L74 HydrophobicContact CG1-CB 3.89Å; I68-L74 HydrophobicContact CG1-CD1 4.08Å; I68-V87 HydrophobicContact CD1-CB 4.36Å; I68-V87 HydrophobicContact CD1-CG1 3.94Å; I68-V87 HydrophobicContact CD1-CG2 4.31Å; I68-A90 HydrophobicContact CD1-CB 4.13Å; I68-A90 HydrophobicContact CG1-CB 4.38Å; I68-A90 HydrophobicContact CG2-CB 3.79Å; I68-R91 HydrophobicContact CD1-CG 4.46Å; I68-R91 HydrophobicContact CG2-CG 4.09Å; I68-L110 HydrophobicContact CB-CD2 4.3Å; I68-L110 HydrophobicContact CG2-CD1 4.5Å; I68-L110 HydrophobicContact CG2-CD2 3.83Å
69	T	98.3	Very high	95.2	Very high	26 Å²	26	42.8 Å²	42.8	16%	0.16	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	-176.7	172.4	67.9	0	0	0	0	108.9	H71 I72 A94 I105	T69-H71 PolarHBondContact O-N 2.72Å; T69-H71 PolarHBondContact OG1-CE1 3.28Å; T69-H71 VanDerWaalsContact OG1-CE1 3.22Å; T69-H71 PolarHBondContact OG1-N 3.11Å; T69-H71 PolarHBondContact OG1-ND1 3.06Å; T69-I72 HydrophobicContact CG2-CD1 4.47Å; T69-I72 PolarHBondContact N-O 3.33Å; T69-I72 WeakPolarHBondContact OG1-CB 3.46Å; T69-I72 WeakPolarHBondContact OG1-CG1 3.48Å; T69-I72 PolarHBondContact OG1-N 2.83Å; T69-I72 VanDerWaalsContact OG1-N 3.12Å; T69-A94 HydrophobicContact CG2-CB 3.56Å; T69-I105 HydrophobicContact CG2-CG2 4.2Å
70	K	97.4	Very high	95.9	Very high	190 Å²	190	40.3 Å²	40.3	83%	0.826	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.5	172.6	-66.7	-174.9	178.7	-178.8	0	113.1	G217 F218	K70-G217 CarbonylContact O-C 3.45Å; K70-G217 WeakPolarHBondContact O-CA 3.16Å; K70-F218 PolarHBondContact O-N 3.43Å
71	H	98.2	Very high	96.5	Very high	28 Å²	28	34.4 Å²	34.4	13%	0.13	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	11.3	-170.2	66.8	-68.3	0	0	0	113.7	T69 P104 I105 G138 W139 C213	T69-H71 PolarHBondContact O-N 2.72Å; T69-H71 PolarHBondContact OG1-CE1 3.28Å; T69-H71 VanDerWaalsContact OG1-CE1 3.22Å; T69-H71 PolarHBondContact OG1-N 3.11Å; T69-H71 PolarHBondContact OG1-ND1 3.06Å; H71-P104 WeakPolarHBondContact CE1-CB 3.32Å; H71-I105 PolarHBondContact CE1-O 3.08Å; H71-I105 PolarHBondContact NE2-O 3.32Å; H71-G138 CarbonylContact O-C 3.56Å; H71-G138 WeakPolarHBondContact O-CA 3.26Å; H71-W139 PolarHBondContact CD2-O 2.97Å; H71-W139 PolarHBondContact O-N 3.17Å; H71-C213 PolarHBondContact O-SG 3.03Å; H71-C213 VanDerWaalsContact O-SG 3.33Å
72	I	98.8	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.5	-179.9	-60.2	174.2	0	0	0	109.8	I68 T69 I105 L110 I136 C137	I68-I72 HydrophobicContact CB-CG2 4.25Å; I68-I72 HydrophobicContact CG1-CG2 4.49Å; I68-I72 PolarHBondContact N-O 3.02Å; T69-I72 HydrophobicContact CG2-CD1 4.47Å; T69-I72 PolarHBondContact N-O 3.33Å; T69-I72 WeakPolarHBondContact OG1-CB 3.46Å; T69-I72 WeakPolarHBondContact OG1-CG1 3.48Å; T69-I72 PolarHBondContact OG1-N 2.83Å; T69-I72 VanDerWaalsContact OG1-N 3.12Å; I72-I105 HydrophobicContact CD1-CG2 4.06Å; I72-L110 HydrophobicContact CD1-CB 4.23Å; I72-L110 HydrophobicContact CD1-CD2 3.9Å; I72-L110 HydrophobicContact CG2-CD2 3.65Å; I72-I136 HydrophobicContact CG2-CG2 3.9Å; I72-C137 CarbonylContact C-O 3.4Å; I72-C137 VanDerWaalsContact CA-O 3.26Å; I72-C137 WeakPolarHBondContact CA-O 3.45Å; I72-C137 VanDerWaalsContact CG2-O 3.26Å; I72-C137 WeakPolarHBondContact CG2-O 3.07Å
73	G	98.8	Very high	97.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	162.2	174.3	0	0	0	0	0	113.3	E66 I136 C137	E66-G73 WeakPolarHBondContact O-CA 3.25Å; G73-I136 WeakPolarHBondContact O-CA 3.48Å; G73-C137 PolarHBondContact N-O 3.01Å; G73-C137 PolarHBondContact O-N 2.77Å
74	L	98.5	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	140.9	-175.5	-150.4	149.9	0	0	0	111.4	V65 E66 I68 Y83 L134 L135 I136	V65-L74 CarbonylContact C-O 3.57Å; V65-L74 WeakPolarHBondContact CA-O 3.44Å; E66-L74 PolarHBondContact N-O 3.25Å; E66-L74 PolarHBondContact O-N 2.89Å; I68-L74 HydrophobicContact CD1-CB 3.99Å; I68-L74 HydrophobicContact CD1-CD1 4.13Å; I68-L74 HydrophobicContact CG1-CB 3.89Å; I68-L74 HydrophobicContact CG1-CD1 4.08Å; L74-Y83 HydrophobicContact CD2-CD2 3.88Å; L74-Y83 HydrophobicContact CD2-CE2 3.4Å; L74-Y83 PolarHBondContact O-OH 2.82Å; L74-L134 HydrophobicContact CD1-CD1 4.31Å; L74-L134 HydrophobicContact CD2-CB 4.04Å; L74-L134 HydrophobicContact CD2-CD1 4.09Å; L74-L134 HydrophobicContact CD2-CD2 3.8Å; L74-L134 HydrophobicContact CD2-CG 4.17Å; L74-L135 WeakPolarHBondContact CA-O 3.43Å; L74-I136 HydrophobicContact CD1-CD1 4.14Å; L74-I136 HydrophobicContact CD1-CG1 3.75Å; L74-I136 HydrophobicContact CG-CG1 3.86Å
75	V	98.7	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.4	169.8	67.6	0	0	0	0	110.1	L46 T48 K64 V65 L134 L135 M163	L46-V75 HydrophobicContact CB-CB 4.46Å; L46-V75 HydrophobicContact CB-CG1 3.98Å; L46-V75 HydrophobicContact CD1-CB 4.29Å; L46-V75 HydrophobicContact CD1-CG1 3.94Å; L46-V75 HydrophobicContact CD2-CG1 3.97Å; L46-V75 HydrophobicContact CG-CG1 4.18Å; T48-V75 HydrophobicContact CG2-CG2 3.67Å; K64-V75 WeakPolarHBondContact O-CA 3.41Å; K64-V75 WeakPolarHBondContact O-CG2 3.42Å; V65-V75 HydrophobicContact CG2-CB 4.15Å; V65-V75 HydrophobicContact CG2-CG2 3.81Å; V75-L134 WeakPolarHBondContact O-CA 3.39Å; V75-L135 HydrophobicContact CG1-CB 3.71Å; V75-L135 HydrophobicContact CG1-CD1 4.25Å; V75-L135 HydrophobicContact CG1-CG 4.39Å; V75-L135 PolarHBondContact N-O 3.38Å; V75-L135 PolarHBondContact O-N 3.5Å; V75-M163 HydrophobicContact CG1-CE 4.19Å
76	Y	98.5	Very high	97.9	Very high	29 Å²	29	36.4 Å²	36.4	11%	0.114	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.6	-177.9	82.4	-76.1	0	0	0	114	S35 K64 G78 G80 Y83 V132 S133 M163	S35-Y76 PolarHBondContact OG-O 2.9Å; K64-Y76 HydrophobicContact CB-CD1 4.49Å; K64-Y76 HydrophobicContact CB-CE1 4.05Å; K64-Y76 HydrophobicContact CD-CE1 4.44Å; K64-Y76 HydrophobicContact CG-CE1 3.89Å; Y76-G78 WeakPolarHBondContact CE2-O 3.11Å; Y76-G80 VanDerWaalsContact CZ-CA 3.46Å; Y76-G80 WeakPolarHBondContact OH-CA 3.28Å; Y76-Y83 AromaticContact CD1-CD1 3.29Å; Y76-Y83 HydrophobicContact CD1-CD1 3.29Å; Y76-Y83 AromaticContact CD1-CD2 3.47Å; Y76-Y83 HydrophobicContact CD1-CD2 3.47Å; Y76-Y83 VanDerWaalsContact CD1-CD2 3.47Å; Y76-Y83 AromaticContact CD1-CE1 3.68Å; Y76-Y83 HydrophobicContact CD1-CE1 3.68Å; Y76-Y83 AromaticContact CD1-CE2 3.79Å; Y76-Y83 HydrophobicContact CD1-CE2 3.79Å; Y76-Y83 AromaticContact CD1-CG 3.15Å; Y76-Y83 HydrophobicContact CD1-CG 3.15Å; Y76-Y83 AromaticContact CD1-CZ 3.91Å; Y76-Y83 HydrophobicContact CD2-CG 4.28Å; Y76-Y83 AromaticContact CE1-CD1 3.41Å; Y76-Y83 HydrophobicContact CE1-CD1 3.41Å; Y76-Y83 VanDerWaalsContact CE1-CD1 3.41Å; Y76-Y83 HydrophobicContact CE1-CD2 4.42Å; Y76-Y83 AromaticContact CE1-CE1 3.89Å; Y76-Y83 HydrophobicContact CE1-CE1 3.89Å; Y76-Y83 AromaticContact CE1-CG 3.71Å; Y76-Y83 HydrophobicContact CE1-CG 3.71Å; Y76-Y83 HydrophobicContact CG-CD1 4.1Å; Y76-Y83 AromaticContact CG-CD2 3.65Å; Y76-Y83 HydrophobicContact CG-CD2 3.65Å; Y76-Y83 HydrophobicContact CG-CE2 4.3Å; Y76-Y83 AromaticContact CG-CG 3.49Å; Y76-Y83 HydrophobicContact CG-CG 3.49Å; Y76-Y83 VanDerWaalsContact CG-CG 3.49Å; Y76-V132 HydrophobicContact CD2-CB 4.4Å; Y76-V132 HydrophobicContact CD2-CG1 3.68Å; Y76-V132 HydrophobicContact CE2-CG1 4.39Å; Y76-V132 HydrophobicContact CG-CG1 4.45Å; Y76-S133 VanDerWaalsContact CA-O 3.29Å; Y76-S133 WeakPolarHBondContact CA-O 3.46Å; Y76-M163 VanDerWaalsContact C-CE 3.44Å
77	S	98.3	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.7	160.7	-70.7	0	0	0	0	109	A33 S35 V132 S133 M163	A33-S77 WeakPolarHBondContact O-CB 3.32Å; A33-S77 PolarHBondContact O-OG 3.27Å; S35-S77 WeakPolarHBondContact CB-OG 3.13Å; S35-S77 PolarHBondContact OG-OG 3.44Å; S77-V132 VanDerWaalsContact O-CA 3.31Å; S77-V132 WeakPolarHBondContact O-CA 3.42Å; S77-S133 PolarHBondContact N-O 3.27Å; S77-S133 PolarHBondContact O-N 3.22Å; S77-M163 WeakPolarHBondContact OG-CG 3.43Å; S77-M163 PolarHBondContact OG-O 3.37Å
78	G	97.7	Very high	98	Very high	18 Å²	18	38 Å²	38	19%	0.186	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.6	-133.9	-177.1	0	0	0	0	0	113.5	Y76 G131	Y76-G78 WeakPolarHBondContact CE2-O 3.11Å; G78-G131 CarbonylContact C-O 3.51Å; G78-G131 VanDerWaalsContact CA-O 3.31Å; G78-G131 WeakPolarHBondContact CA-O 3.47Å
79	M	97	Very high	98	Very high	76 Å²	76	42.6 Å²	42.6	37%	0.374	21%	0.206	S	C	.	.			trans	-85	112.5	-174.9	-63.8	-176.5	70.4	0	0	113.4	D82 Y83 G131 V132	M79-D82 HydrophobicContact CB-CB 4.17Å; M79-D82 WeakPolarHBondContact O-CB 3.41Å; M79-D82 PolarHBondContact O-N 2.99Å; M79-Y83 PolarHBondContact O-N 2.83Å; M79-G131 PolarHBondContact N-O 2.79Å; M79-V132 HydrophobicContact CB-CG1 4.37Å; M79-V132 WeakPolarHBondContact O-CG1 3.14Å
80	G	95.7	Very high	98	Very high	9 Å²	9	41.3 Å²	41.3	9%	0.093	20%	0.199	C	C	.	.	H	α-helix	trans	-58.1	-38.3	-179.7	0	0	0	0	0	116.7	Y76 D82 Y83 R84	Y76-G80 VanDerWaalsContact CZ-CA 3.46Å; Y76-G80 WeakPolarHBondContact OH-CA 3.28Å; G80-D82 PolarHBondContact O-N 2.95Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 3.46Å; G80-R84 PolarHBondContact O-N 2.85Å; G80-R84 PolarHBondContact O-NH1 3.33Å
81	P	96.1	Very high	98.1	Very high	71 Å²	71	36.4 Å²	36.4	46%	0.461	18%	0.175	S	C	.	.	H	α-helix	trans	-60.3	-42.2	174.3	-26.1	35.9	0	0	0	113.6	R84 V85	P81-R84 PolarHBondContact O-N 2.81Å; P81-V85 PolarHBondContact O-N 3.24Å
82	D	98	Very high	98.1	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.053	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-43.3	178.8	-73.6	17.8	0	0	0	111.2	M79 G80 R84 V85 L86 R128 F130 G131 V132	M79-D82 HydrophobicContact CB-CB 4.17Å; M79-D82 WeakPolarHBondContact O-CB 3.41Å; M79-D82 PolarHBondContact O-N 2.99Å; G80-D82 PolarHBondContact O-N 2.95Å; D82-R84 VanDerWaalsContact C-N 3.34Å; D82-R84 PolarHBondContact O-N 3.45Å; D82-V85 WeakPolarHBondContact O-CB 3.44Å; D82-V85 PolarHBondContact O-N 3.45Å; D82-L86 PolarHBondContact O-N 2.99Å; D82-L86 VanDerWaalsContact O-N 3.16Å; D82-R128 IonicContact OD1-CZ 2.71Å; D82-R128 IonicContact OD1-NH1 2.61Å; D82-R128 PolarHBondContact OD1-NH1 2.86Å; D82-R128 IonicContact OD1-NH2 2.77Å; D82-R128 PolarHBondContact OD1-NH2 3.21Å; D82-R128 IonicContact OD2-CZ 3.78Å; D82-R128 IonicContact OD2-NH1 3.89Å; D82-R128 PolarHBondContact OD2-NH1 3.43Å; D82-R128 IonicContact OD2-NH2 3.47Å; D82-F130 HydrophobicContact CB-CB 4.46Å; D82-F130 HydrophobicContact CB-CD1 3.94Å; D82-F130 WeakPolarHBondContact OD2-CA 3.28Å; D82-G131 PolarHBondContact OD2-N 3.41Å; D82-V132 HydrophobicContact CB-CG1 4.05Å; D82-V132 HydrophobicContact CB-CG2 4.4Å
83	Y	98.2	Very high	98.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-54.4	-46.3	173.5	163.5	-111.9	0	0	0	112.7	K64 E66 L74 Y76 M79 G80 V85 L86 V87 L134	K64-Y83 PolarHBondContact O-OH 2.99Å; E66-Y83 WeakPolarHBondContact CB-OH 3.5Å; E66-Y83 HydrophobicContact CG-CE1 4.16Å; E66-Y83 WeakPolarHBondContact CG-OH 3.44Å; E66-Y83 PolarHBondContact N-OH 3.38Å; L74-Y83 HydrophobicContact CD2-CD2 3.88Å; L74-Y83 HydrophobicContact CD2-CE2 3.4Å; L74-Y83 PolarHBondContact O-OH 2.82Å; Y76-Y83 AromaticContact CD1-CD1 3.29Å; Y76-Y83 HydrophobicContact CD1-CD1 3.29Å; Y76-Y83 AromaticContact CD1-CD2 3.47Å; Y76-Y83 HydrophobicContact CD1-CD2 3.47Å; Y76-Y83 VanDerWaalsContact CD1-CD2 3.47Å; Y76-Y83 AromaticContact CD1-CE1 3.68Å; Y76-Y83 HydrophobicContact CD1-CE1 3.68Å; Y76-Y83 AromaticContact CD1-CE2 3.79Å; Y76-Y83 HydrophobicContact CD1-CE2 3.79Å; Y76-Y83 AromaticContact CD1-CG 3.15Å; Y76-Y83 HydrophobicContact CD1-CG 3.15Å; Y76-Y83 AromaticContact CD1-CZ 3.91Å; Y76-Y83 HydrophobicContact CD2-CG 4.28Å; Y76-Y83 AromaticContact CE1-CD1 3.41Å; Y76-Y83 HydrophobicContact CE1-CD1 3.41Å; Y76-Y83 VanDerWaalsContact CE1-CD1 3.41Å; Y76-Y83 HydrophobicContact CE1-CD2 4.42Å; Y76-Y83 AromaticContact CE1-CE1 3.89Å; Y76-Y83 HydrophobicContact CE1-CE1 3.89Å; Y76-Y83 AromaticContact CE1-CG 3.71Å; Y76-Y83 HydrophobicContact CE1-CG 3.71Å; Y76-Y83 HydrophobicContact CG-CD1 4.1Å; Y76-Y83 AromaticContact CG-CD2 3.65Å; Y76-Y83 HydrophobicContact CG-CD2 3.65Å; Y76-Y83 HydrophobicContact CG-CE2 4.3Å; Y76-Y83 AromaticContact CG-CG 3.49Å; Y76-Y83 HydrophobicContact CG-CG 3.49Å; Y76-Y83 VanDerWaalsContact CG-CG 3.49Å; M79-Y83 PolarHBondContact O-N 2.83Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 3.46Å; Y83-V85 VanDerWaalsContact C-N 3.3Å; Y83-V85 PolarHBondContact O-N 3.11Å; Y83-L86 PolarHBondContact O-N 3.48Å; Y83-L86 VanDerWaalsContact O-N 3.09Å; Y83-V87 HydrophobicContact CD1-CG2 4.37Å; Y83-V87 HydrophobicContact CD2-CG2 3.83Å; Y83-V87 HydrophobicContact CE1-CG2 3.95Å; Y83-V87 HydrophobicContact CE2-CG2 3.38Å; Y83-V87 HydrophobicContact CG-CG2 4.33Å; Y83-V87 VanDerWaalsContact CZ-CG2 3.44Å; Y83-V87 WeakPolarHBondContact O-CG2 3.26Å; Y83-V87 PolarHBondContact O-N 3.45Å; Y83-L134 HydrophobicContact CD2-CD2 4.21Å
84	R	97.3	Very high	98.1	Very high	133 Å²	133	41 Å²	41	50%	0.502	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-34.4	-179.2	-69.6	-171.6	-61.9	-89	5.7	112.9	G80 P81 D82 L86 V87 H88	G80-R84 PolarHBondContact O-N 2.85Å; G80-R84 PolarHBondContact O-NH1 3.33Å; P81-R84 PolarHBondContact O-N 2.81Å; D82-R84 VanDerWaalsContact C-N 3.34Å; D82-R84 PolarHBondContact O-N 3.45Å; R84-L86 VanDerWaalsContact C-N 3.34Å; R84-V87 PolarHBondContact O-N 2.88Å; R84-H88 PolarHBondContact O-N 2.8Å; R84-H88 VanDerWaalsContact O-N 3.09Å
85	V	98	Very high	98.1	Very high	75 Å²	75	46.5 Å²	46.5	46%	0.455	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-45	173.2	175.9	0	0	0	0	110.2	P81 D82 Y83 H88 R89 F130	P81-V85 PolarHBondContact O-N 3.24Å; D82-V85 WeakPolarHBondContact O-CB 3.44Å; D82-V85 PolarHBondContact O-N 3.45Å; Y83-V85 VanDerWaalsContact C-N 3.3Å; Y83-V85 PolarHBondContact O-N 3.11Å; V85-H88 PolarHBondContact O-N 3.23Å; V85-R89 WeakPolarHBondContact O-CB 3.31Å; V85-R89 PolarHBondContact O-N 2.97Å; V85-F130 HydrophobicContact CB-CE1 4.28Å; V85-F130 HydrophobicContact CG1-CE1 4Å; V85-F130 HydrophobicContact CG1-CZ 4.4Å
86	L	98.6	Very high	98.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-38.7	178.8	-66.2	173.6	0	0	0	112.6	D82 Y83 R84 H88 R89 A90 V117 M118 F130 V132 L134	D82-L86 PolarHBondContact O-N 2.99Å; D82-L86 VanDerWaalsContact O-N 3.16Å; Y83-L86 PolarHBondContact O-N 3.48Å; Y83-L86 VanDerWaalsContact O-N 3.09Å; R84-L86 VanDerWaalsContact C-N 3.34Å; L86-H88 PolarHBondContact O-N 3.34Å; L86-R89 PolarHBondContact O-N 3.27Å; L86-A90 VanDerWaalsContact O-CB 3.26Å; L86-A90 WeakPolarHBondContact O-CB 3.35Å; L86-A90 PolarHBondContact O-N 2.88Å; L86-V117 HydrophobicContact CD2-CG1 4.37Å; L86-M118 HydrophobicContact CD1-CE 4.27Å; L86-M118 HydrophobicContact CD1-CG 3.99Å; L86-M118 HydrophobicContact CD1-SD 4.02Å; L86-M118 HydrophobicContact CD2-CG 3.86Å; L86-F130 HydrophobicContact CD1-CB 4.16Å; L86-F130 HydrophobicContact CD1-CD1 4.01Å; L86-F130 HydrophobicContact CD1-CD2 4.37Å; L86-F130 HydrophobicContact CD1-CG 3.93Å; L86-F130 HydrophobicContact CD2-CD1 4.2Å; L86-F130 HydrophobicContact CD2-CD2 4.07Å; L86-F130 HydrophobicContact CD2-CE1 3.92Å; L86-F130 HydrophobicContact CD2-CE2 3.78Å; L86-F130 HydrophobicContact CD2-CG 4.27Å; L86-F130 HydrophobicContact CD2-CZ 3.7Å; L86-F130 HydrophobicContact CG-CD1 3.97Å; L86-F130 HydrophobicContact CG-CE1 3.98Å; L86-F130 HydrophobicContact CG-CG 4.27Å; L86-F130 HydrophobicContact CG-CZ 4.29Å; L86-V132 HydrophobicContact CD1-CG2 3.59Å; L86-L134 HydrophobicContact CB-CD1 4.47Å; L86-L134 HydrophobicContact CD1-CD1 3.96Å; L86-L134 HydrophobicContact CD1-CD2 4.24Å; L86-L134 HydrophobicContact CD1-CG 4.45Å
87	V	98.5	Very high	98.1	Very high	7 Å²	7	51 Å²	51	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-48.1	173.1	168.7	0	0	0	0	111	E66 I68 Y83 R84 R89 A90 R91	E66-V87 HydrophobicContact CB-CG1 4.21Å; E66-V87 HydrophobicContact CB-CG2 4.24Å; E66-V87 HydrophobicContact CG-CG1 4.37Å; E66-V87 HydrophobicContact CG-CG2 4.36Å; I68-V87 HydrophobicContact CD1-CB 4.36Å; I68-V87 HydrophobicContact CD1-CG1 3.94Å; I68-V87 HydrophobicContact CD1-CG2 4.31Å; Y83-V87 HydrophobicContact CD1-CG2 4.37Å; Y83-V87 HydrophobicContact CD2-CG2 3.83Å; Y83-V87 HydrophobicContact CE1-CG2 3.95Å; Y83-V87 HydrophobicContact CE2-CG2 3.38Å; Y83-V87 HydrophobicContact CG-CG2 4.33Å; Y83-V87 VanDerWaalsContact CZ-CG2 3.44Å; Y83-V87 WeakPolarHBondContact O-CG2 3.26Å; Y83-V87 PolarHBondContact O-N 3.45Å; R84-V87 PolarHBondContact O-N 2.88Å; V87-R89 VanDerWaalsContact C-N 3.33Å; V87-R89 PolarHBondContact O-N 2.92Å; V87-A90 PolarHBondContact O-N 2.82Å; V87-R91 WeakPolarHBondContact O-CG 3.16Å; V87-R91 PolarHBondContact O-N 3.12Å
88	H	98.4	Very high	98.1	Very high	111 Å²	111	56 Å²	56	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-42.5	177.9	-174.6	58.3	0	0	0	111.9	R84 V85 L86 K92	R84-H88 PolarHBondContact O-N 2.8Å; R84-H88 VanDerWaalsContact O-N 3.09Å; V85-H88 PolarHBondContact O-N 3.23Å; L86-H88 PolarHBondContact O-N 3.34Å; H88-K92 VanDerWaalsContact NE2-CE 3.32Å; H88-K92 WeakPolarHBondContact NE2-CE 3.45Å; H88-K92 PolarHBondContact NE2-NZ 3.11Å; H88-K92 PolarHBondContact O-N 3.3Å; H88-K92 VanDerWaalsContact O-N 3.11Å
89	R	98.6	Very high	98.1	Very high	107 Å²	107	61.2 Å²	61.2	40%	0.404	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-44.3	176.8	-172.8	65.3	172.1	-173.7	-1.4	111.7	V85 L86 V87 R91 K92 L93 V117	V85-R89 WeakPolarHBondContact O-CB 3.31Å; V85-R89 PolarHBondContact O-N 2.97Å; L86-R89 PolarHBondContact O-N 3.27Å; V87-R89 VanDerWaalsContact C-N 3.33Å; V87-R89 PolarHBondContact O-N 2.92Å; R89-R91 PolarHBondContact O-N 2.78Å; R89-K92 PolarHBondContact O-N 2.79Å; R89-L93 HydrophobicContact CG-CD1 4.01Å; R89-L93 HydrophobicContact CG-CG 4.44Å; R89-L93 VanDerWaalsContact O-CG 3.28Å; R89-L93 WeakPolarHBondContact O-CG 3.47Å; R89-L93 PolarHBondContact O-N 3.45Å; R89-V117 HydrophobicContact CG-CG1 4.22Å; R89-V117 HydrophobicContact CG-CG2 3.98Å
90	A	98.9	Very high	98.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-44.2	178.4	0	0	0	0	0	111.6	I68 L86 V87 K92 L93 A94 L110 V114	I68-A90 HydrophobicContact CD1-CB 4.13Å; I68-A90 HydrophobicContact CG1-CB 4.38Å; I68-A90 HydrophobicContact CG2-CB 3.79Å; L86-A90 VanDerWaalsContact O-CB 3.26Å; L86-A90 WeakPolarHBondContact O-CB 3.35Å; L86-A90 PolarHBondContact O-N 2.88Å; V87-A90 PolarHBondContact O-N 2.82Å; A90-K92 PolarHBondContact O-N 3.19Å; A90-L93 PolarHBondContact O-N 3.27Å; A90-A94 WeakPolarHBondContact O-CB 3.24Å; A90-A94 PolarHBondContact O-N 2.92Å; A90-L110 HydrophobicContact CB-CD1 4.32Å; A90-L110 WeakPolarHBondContact O-CD1 3.43Å; A90-V114 HydrophobicContact CB-CG2 3.7Å
91	R	98.8	Very high	98.3	Very high	87 Å²	87	68.1 Å²	68.1	33%	0.328	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-45.4	174.5	-73.4	174.5	176.8	155.7	2.1	111.7	E66 P67 I68 V87 R89 A94 Q95	E66-R91 IonicContact OE2-CZ 2.75Å; E66-R91 IonicContact OE2-NH2 3.87Å; E66-R91 PolarHBondContact OE2-NH2 2.91Å; P67-R91 PolarHBondContact O-NE 2.71Å; P67-R91 VanDerWaalsContact O-NE 3.12Å; P67-R91 PolarHBondContact O-NH2 2.86Å; I68-R91 HydrophobicContact CD1-CG 4.46Å; I68-R91 HydrophobicContact CG2-CG 4.09Å; V87-R91 WeakPolarHBondContact O-CG 3.16Å; V87-R91 PolarHBondContact O-N 3.12Å; R89-R91 PolarHBondContact O-N 2.78Å; R91-A94 PolarHBondContact O-N 3.46Å; R91-Q95 WeakPolarHBondContact O-CG 3.44Å; R91-Q95 PolarHBondContact O-N 3.31Å
92	K	98.7	Very high	98.4	Very high	106 Å²	106	70.4 Å²	70.4	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-44.8	175.5	-75.1	-176.2	174	-176.6	0	112.5	H88 R89 A90 A94 Q95 Q96	H88-K92 VanDerWaalsContact NE2-CE 3.32Å; H88-K92 WeakPolarHBondContact NE2-CE 3.45Å; H88-K92 PolarHBondContact NE2-NZ 3.11Å; H88-K92 PolarHBondContact O-N 3.3Å; H88-K92 VanDerWaalsContact O-N 3.11Å; R89-K92 PolarHBondContact O-N 2.79Å; A90-K92 PolarHBondContact O-N 3.19Å; K92-A94 VanDerWaalsContact C-N 3.31Å; K92-A94 PolarHBondContact O-N 2.8Å; K92-Q95 PolarHBondContact O-N 3.05Å; K92-Q96 WeakPolarHBondContact O-CB 3.2Å; K92-Q96 VanDerWaalsContact O-CG 3.27Å; K92-Q96 WeakPolarHBondContact O-CG 3.35Å; K92-Q96 PolarHBondContact O-N 2.92Å
93	L	98.7	Very high	98.4	Very high	14 Å²	14	75.8 Å²	75.8	7%	0.073	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-40.2	178.3	-72	165.7	0	0	0	111.9	R89 A90 Y97 L110 R113 V114 V117	R89-L93 HydrophobicContact CG-CD1 4.01Å; R89-L93 HydrophobicContact CG-CG 4.44Å; R89-L93 VanDerWaalsContact O-CG 3.28Å; R89-L93 WeakPolarHBondContact O-CG 3.47Å; R89-L93 PolarHBondContact O-N 3.45Å; A90-L93 PolarHBondContact O-N 3.27Å; L93-Y97 PolarHBondContact O-N 2.7Å; L93-L110 HydrophobicContact CB-CD1 4.29Å; L93-R113 HydrophobicContact CD1-CB 3.89Å; L93-R113 HydrophobicContact CD2-CB 4.28Å; L93-V114 HydrophobicContact CD1-CG2 4.21Å; L93-V117 HydrophobicContact CD1-CG2 4.41Å
94	A	98.7	Very high	98.3	Very high	4 Å²	4	79.8 Å²	79.8	3%	0.033	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-44.4	175.7	0	0	0	0	0	112.2	T69 A90 R91 K92 Y97 Y98 I105 L110	T69-A94 HydrophobicContact CG2-CB 3.56Å; A90-A94 WeakPolarHBondContact O-CB 3.24Å; A90-A94 PolarHBondContact O-N 2.92Å; R91-A94 PolarHBondContact O-N 3.46Å; K92-A94 VanDerWaalsContact C-N 3.31Å; K92-A94 PolarHBondContact O-N 2.8Å; A94-Y97 WeakPolarHBondContact O-CB 3.31Å; A94-Y97 PolarHBondContact O-N 2.9Å; A94-Y98 PolarHBondContact O-N 3Å; A94-I105 HydrophobicContact CB-CG2 3.72Å; A94-L110 HydrophobicContact CB-CD1 4.26Å
95	Q	98.5	Very high	98.4	Very high	115 Å²	115	73.5 Å²	73.5	54%	0.537	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-40.9	176.9	-66.8	-57.1	-46.6	0	0	112.1	R91 K92 Y97 Y98 L99	R91-Q95 WeakPolarHBondContact O-CG 3.44Å; R91-Q95 PolarHBondContact O-N 3.31Å; K92-Q95 PolarHBondContact O-N 3.05Å; Q95-Y97 VanDerWaalsContact C-N 3.31Å; Q95-Y97 PolarHBondContact O-N 2.72Å; Q95-Y98 PolarHBondContact O-N 2.77Å; Q95-L99 WeakPolarHBondContact O-CG 3.22Å; Q95-L99 PolarHBondContact O-N 3.27Å
96	Q	98.5	Very high	98.4	Very high	99 Å²	99	71.5 Å²	71.5	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-60.4	-41.1	174.5	-75	172.6	-22.1	0	0	112.1	K92 L99 V100	K92-Q96 WeakPolarHBondContact O-CB 3.2Å; K92-Q96 VanDerWaalsContact O-CG 3.27Å; K92-Q96 WeakPolarHBondContact O-CG 3.35Å; K92-Q96 PolarHBondContact O-N 2.92Å; Q96-L99 PolarHBondContact O-N 3.26Å; Q96-V100 WeakPolarHBondContact O-CG2 3.35Å; Q96-V100 PolarHBondContact O-N 3.3Å
97	Y	98.7	Very high	98.4	Very high	25 Å²	25	71.4 Å²	71.4	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-48.7	174	-173.9	-77.2	0	0	0	111	L93 A94 Q95 L99 V100 Y101 E103 I105	L93-Y97 PolarHBondContact O-N 2.7Å; A94-Y97 WeakPolarHBondContact O-CB 3.31Å; A94-Y97 PolarHBondContact O-N 2.9Å; Q95-Y97 VanDerWaalsContact C-N 3.31Å; Q95-Y97 PolarHBondContact O-N 2.72Å; Y97-L99 VanDerWaalsContact C-N 3.33Å; Y97-L99 PolarHBondContact O-N 3.48Å; Y97-V100 PolarHBondContact O-N 3.44Å; Y97-V100 VanDerWaalsContact O-N 3.16Å; Y97-Y101 AromaticContact CD1-CD2 3.73Å; Y97-Y101 HydrophobicContact CD1-CD2 3.73Å; Y97-Y101 HydrophobicContact CD1-CG 4.43Å; Y97-Y101 AromaticContact CD2-CD2 3.61Å; Y97-Y101 HydrophobicContact CD2-CD2 3.61Å; Y97-Y101 AromaticContact CD2-CE2 3.72Å; Y97-Y101 HydrophobicContact CD2-CE2 3.72Å; Y97-Y101 AromaticContact CE1-CD2 3.62Å; Y97-Y101 HydrophobicContact CE1-CD2 3.62Å; Y97-Y101 HydrophobicContact CE1-CG 4.03Å; Y97-Y101 AromaticContact CE2-CD2 3.5Å; Y97-Y101 HydrophobicContact CE2-CD2 3.5Å; Y97-Y101 VanDerWaalsContact CE2-CD2 3.5Å; Y97-Y101 AromaticContact CE2-CE2 3.6Å; Y97-Y101 HydrophobicContact CE2-CE2 3.6Å; Y97-Y101 HydrophobicContact CE2-CG 4.42Å; Y97-Y101 AromaticContact CG-CD2 3.71Å; Y97-Y101 HydrophobicContact CG-CD2 3.71Å; Y97-Y101 HydrophobicContact CG-CE2 4.24Å; Y97-Y101 AromaticContact CZ-CD2 3.49Å; Y97-Y101 VanDerWaalsContact CZ-CD2 3.49Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.39Å; Y97-Y101 PolarHBondContact O-N 3.49Å; Y97-E103 WeakPolarHBondContact CD1-O 3.22Å; Y97-I105 HydrophobicContact CD1-CB 3.76Å; Y97-I105 HydrophobicContact CD1-CG1 4.17Å; Y97-I105 HydrophobicContact CD2-CB 4.17Å; Y97-I105 HydrophobicContact CD2-CD1 3.83Å; Y97-I105 HydrophobicContact CD2-CG1 3.66Å; Y97-I105 HydrophobicContact CE1-CB 4.34Å; Y97-I105 HydrophobicContact CE2-CG1 4.11Å; Y97-I105 HydrophobicContact CG-CB 3.68Å; Y97-I105 HydrophobicContact CG-CD1 3.96Å; Y97-I105 HydrophobicContact CG-CG1 3.71Å
98	Y	98.3	Very high	98.4	Very high	106 Å²	106	73 Å²	73	42%	0.416	35%	0.351	S	S	.	.	H	α-helix	trans	-60.2	-40.3	179.3	-173.4	-99.8	0	0	0	112.5	A94 Q95 V100 Q102 E103	A94-Y98 PolarHBondContact O-N 3Å; Q95-Y98 PolarHBondContact O-N 2.77Å; Y98-V100 VanDerWaalsContact C-N 3.27Å; Y98-V100 PolarHBondContact O-N 3.21Å; Y98-Q102 WeakPolarHBondContact O-CA 3.31Å; Y98-Q102 PolarHBondContact O-N 2.65Å; Y98-Q102 PolarHBondContact O-NE2 3.16Å; Y98-E103 WeakPolarHBondContact CD2-O 3.13Å
99	L	98.3	Very high	98.4	Very high	126 Å²	126	71.3 Å²	71.3	66%	0.66	34%	0.343	S	S	*	.	H	α-helix	trans	-61.7	-34.8	177.4	-70.9	171.4	0	0	0	113	Q95 Q96 Y97 Q102	Q95-L99 WeakPolarHBondContact O-CG 3.22Å; Q95-L99 PolarHBondContact O-N 3.27Å; Q96-L99 PolarHBondContact O-N 3.26Å; Y97-L99 VanDerWaalsContact C-N 3.33Å; Y97-L99 PolarHBondContact O-N 3.48Å; L99-Q102 PolarHBondContact O-NE2 3.24Å
100	V	98.4	Very high	98.4	Very high	105 Å²	105	66.2 Å²	66.2	64%	0.636	32%	0.324	S	S	*	.	H	α-helix	trans	-83.5	-47.1	-178	175.4	0	0	0	0	111.8	Q96 Y97 Y98	Q96-V100 WeakPolarHBondContact O-CG2 3.35Å; Q96-V100 PolarHBondContact O-N 3.3Å; Y97-V100 PolarHBondContact O-N 3.44Å; Y97-V100 VanDerWaalsContact O-N 3.16Å; Y98-V100 VanDerWaalsContact C-N 3.27Å; Y98-V100 PolarHBondContact O-N 3.21Å
101	Y	98.1	Very high	98.4	Very high	126 Å²	126	66.2 Å²	66.2	49%	0.494	32%	0.324	S	S	.	.	H	α-helix	trans	-101.4	-10.8	-170.6	-59.9	-70.6	0	0	0	113.8	Y97 E103	Y97-Y101 AromaticContact CD1-CD2 3.73Å; Y97-Y101 HydrophobicContact CD1-CD2 3.73Å; Y97-Y101 HydrophobicContact CD1-CG 4.43Å; Y97-Y101 AromaticContact CD2-CD2 3.61Å; Y97-Y101 HydrophobicContact CD2-CD2 3.61Å; Y97-Y101 AromaticContact CD2-CE2 3.72Å; Y97-Y101 HydrophobicContact CD2-CE2 3.72Å; Y97-Y101 AromaticContact CE1-CD2 3.62Å; Y97-Y101 HydrophobicContact CE1-CD2 3.62Å; Y97-Y101 HydrophobicContact CE1-CG 4.03Å; Y97-Y101 AromaticContact CE2-CD2 3.5Å; Y97-Y101 HydrophobicContact CE2-CD2 3.5Å; Y97-Y101 VanDerWaalsContact CE2-CD2 3.5Å; Y97-Y101 AromaticContact CE2-CE2 3.6Å; Y97-Y101 HydrophobicContact CE2-CE2 3.6Å; Y97-Y101 HydrophobicContact CE2-CG 4.42Å; Y97-Y101 AromaticContact CG-CD2 3.71Å; Y97-Y101 HydrophobicContact CG-CD2 3.71Å; Y97-Y101 HydrophobicContact CG-CE2 4.24Å; Y97-Y101 AromaticContact CZ-CD2 3.49Å; Y97-Y101 VanDerWaalsContact CZ-CD2 3.49Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.39Å; Y97-Y101 PolarHBondContact O-N 3.49Å; Y101-E103 PolarHBondContact O-N 3.17Å; Y101-E103 VanDerWaalsContact O-N 3.12Å
102	Q	98	Very high	98.4	Very high	119 Å²	119	66.3 Å²	66.3	56%	0.556	33%	0.328	S	S	*	.	S	Bend	trans	57.5	21.1	-175.4	-58.2	-62.6	-45.4	0	0	114	Y98 L99	Y98-Q102 WeakPolarHBondContact O-CA 3.31Å; Y98-Q102 PolarHBondContact O-N 2.65Å; Y98-Q102 PolarHBondContact O-NE2 3.16Å; L99-Q102 PolarHBondContact O-NE2 3.24Å
103	E	97.4	Very high	98.4	Very high	122 Å²	122	64.4 Å²	64.4	57%	0.57	32%	0.318	S	S	*	.	S	Bend	trans	-130.1	149.9	179.6	-70.2	-175.4	165.5	0	0	110.9	Y97 Y98 Y101 I105	Y97-E103 WeakPolarHBondContact CD1-O 3.22Å; Y98-E103 WeakPolarHBondContact CD2-O 3.13Å; Y101-E103 PolarHBondContact O-N 3.17Å; Y101-E103 VanDerWaalsContact O-N 3.12Å; E103-I105 PolarHBondContact O-N 3.49Å
104	P	97.3	Very high	98.4	Very high	86 Å²	86	63.8 Å²	63.8	56%	0.558	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-59.2	136.6	173	-19.5	31.4	0	0	0	111.2	H71 P106	H71-P104 WeakPolarHBondContact CE1-CB 3.32Å; P104-P106 WeakPolarHBondContact O-CD 3.46Å
105	I	98.6	Very high	98.4	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-60.8	130.5	178.6	-170	167.9	0	0	0	111.2	T69 H71 I72 A94 Y97 E103 Q109 L110	T69-I105 HydrophobicContact CG2-CG2 4.2Å; H71-I105 PolarHBondContact CE1-O 3.08Å; H71-I105 PolarHBondContact NE2-O 3.32Å; I72-I105 HydrophobicContact CD1-CG2 4.06Å; A94-I105 HydrophobicContact CB-CG2 3.72Å; Y97-I105 HydrophobicContact CD1-CB 3.76Å; Y97-I105 HydrophobicContact CD1-CG1 4.17Å; Y97-I105 HydrophobicContact CD2-CB 4.17Å; Y97-I105 HydrophobicContact CD2-CD1 3.83Å; Y97-I105 HydrophobicContact CD2-CG1 3.66Å; Y97-I105 HydrophobicContact CE1-CB 4.34Å; Y97-I105 HydrophobicContact CE2-CG1 4.11Å; Y97-I105 HydrophobicContact CG-CB 3.68Å; Y97-I105 HydrophobicContact CG-CD1 3.96Å; Y97-I105 HydrophobicContact CG-CG1 3.71Å; E103-I105 PolarHBondContact O-N 3.49Å; I105-Q109 HydrophobicContact CD1-CB 4.19Å; I105-Q109 HydrophobicContact CG1-CB 3.81Å; I105-L110 HydrophobicContact CD1-CB 3.91Å; I105-L110 HydrophobicContact CD1-CD1 4.07Å; I105-L110 HydrophobicContact CG1-CB 4.28Å; I105-L110 HydrophobicContact CG2-CB 4.29Å; I105-L110 HydrophobicContact CG2-CD1 4.43Å
106	P	98.3	Very high	98.4	Very high	32 Å²	32	61.4 Å²	61.4	21%	0.208	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-62.9	146.9	171	-25	34.8	0	0	0	111.9	P104 A108 Q109 L110	P104-P106 WeakPolarHBondContact O-CD 3.46Å; P106-A108 VanDerWaalsContact C-N 3.33Å; P106-A108 PolarHBondContact O-N 2.97Å; P106-Q109 HydrophobicContact CB-CB 4.33Å; P106-Q109 HydrophobicContact CB-CG 4.18Å; P106-Q109 HydrophobicContact CG-CG 4.21Å; P106-Q109 WeakPolarHBondContact O-CB 3.34Å; P106-Q109 PolarHBondContact O-N 2.87Å; P106-L110 PolarHBondContact O-N 3.34Å; P106-L110 VanDerWaalsContact O-N 3.11Å
107	T	98.6	Very high	98.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55.2	-47.1	-176.5	-52.5	0	0	0	0	112.2	Q109 L110 V111 I136 G138 N140 F147	T107-Q109 VanDerWaalsContact C-N 3.31Å; T107-Q109 PolarHBondContact O-N 3.12Å; T107-L110 PolarHBondContact O-N 3.23Å; T107-V111 HydrophobicContact CG2-CG2 4.44Å; T107-V111 VanDerWaalsContact O-CG2 3.27Å; T107-V111 WeakPolarHBondContact O-CG2 3.17Å; T107-V111 PolarHBondContact O-N 3.35Å; T107-I136 HydrophobicContact CG2-CG2 4.5Å; T107-G138 WeakPolarHBondContact OG1-CA 3.37Å; T107-N140 WeakPolarHBondContact CB-OD1 3.3Å; T107-N140 PolarHBondContact OG1-OD1 3.34Å; T107-F147 HydrophobicContact CG2-CD2 4.19Å; T107-F147 HydrophobicContact CG2-CE2 4.29Å
108	A	98.2	Very high	98.4	Very high	42 Å²	42	56.1 Å²	56.1	35%	0.347	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-36	179.4	0	0	0	0	0	113.3	P106 V111 Q112 F147	P106-A108 VanDerWaalsContact C-N 3.33Å; P106-A108 PolarHBondContact O-N 2.97Å; A108-V111 PolarHBondContact O-N 3.1Å; A108-Q112 WeakPolarHBondContact O-CB 3.28Å; A108-Q112 PolarHBondContact O-N 3.22Å; A108-F147 HydrophobicContact CB-CE2 4.36Å; A108-F147 HydrophobicContact CB-CZ 3.99Å
109	Q	98.4	Very high	98.3	Very high	75 Å²	75	54.5 Å²	54.5	35%	0.35	28%	0.284	S	S	.	.	H	α-helix	trans	-68.1	-41.1	177.3	-75	-75.7	-10.4	0	0	111.4	I105 P106 T107 R113	I105-Q109 HydrophobicContact CD1-CB 4.19Å; I105-Q109 HydrophobicContact CG1-CB 3.81Å; P106-Q109 HydrophobicContact CB-CB 4.33Å; P106-Q109 HydrophobicContact CB-CG 4.18Å; P106-Q109 HydrophobicContact CG-CG 4.21Å; P106-Q109 WeakPolarHBondContact O-CB 3.34Å; P106-Q109 PolarHBondContact O-N 2.87Å; T107-Q109 VanDerWaalsContact C-N 3.31Å; T107-Q109 PolarHBondContact O-N 3.12Å; Q109-R113 VanDerWaalsContact O-CG 3.32Å; Q109-R113 WeakPolarHBondContact O-CG 3.24Å; Q109-R113 PolarHBondContact O-N 3.16Å; Q109-R113 VanDerWaalsContact O-N 3.12Å
110	L	98.8	Very high	98.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-46.9	174.5	-175.7	76.2	0	0	0	110.9	I68 I72 A90 L93 A94 I105 P106 T107 Q112 R113 V114	I68-L110 HydrophobicContact CB-CD2 4.3Å; I68-L110 HydrophobicContact CG2-CD1 4.5Å; I68-L110 HydrophobicContact CG2-CD2 3.83Å; I72-L110 HydrophobicContact CD1-CB 4.23Å; I72-L110 HydrophobicContact CD1-CD2 3.9Å; I72-L110 HydrophobicContact CG2-CD2 3.65Å; A90-L110 HydrophobicContact CB-CD1 4.32Å; A90-L110 WeakPolarHBondContact O-CD1 3.43Å; L93-L110 HydrophobicContact CB-CD1 4.29Å; A94-L110 HydrophobicContact CB-CD1 4.26Å; I105-L110 HydrophobicContact CD1-CB 3.91Å; I105-L110 HydrophobicContact CD1-CD1 4.07Å; I105-L110 HydrophobicContact CG1-CB 4.28Å; I105-L110 HydrophobicContact CG2-CB 4.29Å; I105-L110 HydrophobicContact CG2-CD1 4.43Å; P106-L110 PolarHBondContact O-N 3.34Å; P106-L110 VanDerWaalsContact O-N 3.11Å; T107-L110 PolarHBondContact O-N 3.23Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 2.97Å; L110-R113 PolarHBondContact O-N 3.45Å; L110-V114 HydrophobicContact CD1-CG2 4.38Å; L110-V114 HydrophobicContact CG-CG2 4.25Å; L110-V114 WeakPolarHBondContact O-CG2 3.39Å; L110-V114 PolarHBondContact O-N 3.12Å
111	V	98.7	Very high	98.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.6	-50	178.4	172	0	0	0	0	110.3	T107 A108 R113 V114 A115 I136 F147 Y155	T107-V111 HydrophobicContact CG2-CG2 4.44Å; T107-V111 VanDerWaalsContact O-CG2 3.27Å; T107-V111 WeakPolarHBondContact O-CG2 3.17Å; T107-V111 PolarHBondContact O-N 3.35Å; A108-V111 PolarHBondContact O-N 3.1Å; V111-R113 VanDerWaalsContact C-N 3.34Å; V111-R113 PolarHBondContact O-N 2.99Å; V111-V114 PolarHBondContact O-N 2.9Å; V111-A115 WeakPolarHBondContact O-CB 3.27Å; V111-A115 PolarHBondContact O-N 3.16Å; V111-I136 HydrophobicContact CB-CD1 4.37Å; V111-I136 HydrophobicContact CG1-CD1 4.49Å; V111-I136 HydrophobicContact CG2-CB 3.84Å; V111-I136 HydrophobicContact CG2-CD1 3.82Å; V111-I136 HydrophobicContact CG2-CG1 4.4Å; V111-I136 HydrophobicContact CG2-CG2 3.75Å; V111-F147 HydrophobicContact CB-CB 4.48Å; V111-F147 HydrophobicContact CB-CG 4.37Å; V111-F147 HydrophobicContact CG1-CB 3.92Å; V111-F147 HydrophobicContact CG1-CD1 4.12Å; V111-F147 HydrophobicContact CG1-CG 4.04Å; V111-F147 HydrophobicContact CG2-CB 3.76Å; V111-F147 HydrophobicContact CG2-CD2 3.77Å; V111-F147 HydrophobicContact CG2-CE2 4.49Å; V111-F147 HydrophobicContact CG2-CG 3.79Å; V111-Y155 HydrophobicContact CG1-CD1 4.47Å; V111-Y155 HydrophobicContact CG1-CD2 3.54Å; V111-Y155 HydrophobicContact CG1-CE2 4.18Å; V111-Y155 HydrophobicContact CG1-CG 3.71Å
112	Q	98.6	Very high	98	Very high	88 Å²	88	46 Å²	46	41%	0.411	24%	0.236	S	C	.	.	H	α-helix	trans	-56.7	-47.3	178.2	-176.2	-176.4	59.7	0	0	111.6	A108 L110 A115 S116	A108-Q112 WeakPolarHBondContact O-CB 3.28Å; A108-Q112 PolarHBondContact O-N 3.22Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 2.97Å; Q112-A115 PolarHBondContact O-N 3.05Å; Q112-S116 PolarHBondContact O-N 3Å; Q112-S116 PolarHBondContact O-OG 2.95Å
113	R	98.7	Very high	97.7	Very high	66 Å²	66	45.8 Å²	45.8	25%	0.249	24%	0.235	C	C	.	.	H	α-helix	trans	-67.2	-39	-179	-68.2	176.9	-177.5	-152.1	-3.7	112.9	L93 Q109 L110 V111 S116 V117	L93-R113 HydrophobicContact CD1-CB 3.89Å; L93-R113 HydrophobicContact CD2-CB 4.28Å; Q109-R113 VanDerWaalsContact O-CG 3.32Å; Q109-R113 WeakPolarHBondContact O-CG 3.24Å; Q109-R113 PolarHBondContact O-N 3.16Å; Q109-R113 VanDerWaalsContact O-N 3.12Å; L110-R113 PolarHBondContact O-N 3.45Å; V111-R113 VanDerWaalsContact C-N 3.34Å; V111-R113 PolarHBondContact O-N 2.99Å; R113-S116 PolarHBondContact O-N 3.28Å; R113-V117 WeakPolarHBondContact O-CG2 3.26Å; R113-V117 PolarHBondContact O-N 2.87Å
114	V	98.8	Very high	97.5	Very high	2 Å²	2	42 Å²	42	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-44.4	175.4	171.9	0	0	0	0	110.2	A90 L93 L110 V111 S116 V117 M118 L134 I136	A90-V114 HydrophobicContact CB-CG2 3.7Å; L93-V114 HydrophobicContact CD1-CG2 4.21Å; L110-V114 HydrophobicContact CD1-CG2 4.38Å; L110-V114 HydrophobicContact CG-CG2 4.25Å; L110-V114 WeakPolarHBondContact O-CG2 3.39Å; L110-V114 PolarHBondContact O-N 3.12Å; V111-V114 PolarHBondContact O-N 2.9Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 2.79Å; V114-V117 WeakPolarHBondContact O-CB 3.42Å; V114-V117 PolarHBondContact O-N 2.93Å; V114-V117 VanDerWaalsContact O-N 3.13Å; V114-M118 HydrophobicContact CG1-SD 4.24Å; V114-M118 WeakPolarHBondContact O-CG 3.46Å; V114-M118 PolarHBondContact O-N 3.49Å; V114-L134 HydrophobicContact CG1-CD1 3.81Å; V114-I136 HydrophobicContact CG1-CD1 4.45Å
115	A	98.7	Very high	97	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-38.8	176.7	0	0	0	0	0	112.3	V111 Q112 V117 M118 Q119 G153 Y155	V111-A115 WeakPolarHBondContact O-CB 3.27Å; V111-A115 PolarHBondContact O-N 3.16Å; Q112-A115 PolarHBondContact O-N 3.05Å; A115-V117 VanDerWaalsContact C-N 3.35Å; A115-V117 PolarHBondContact O-N 2.8Å; A115-M118 PolarHBondContact O-N 3.49Å; A115-Q119 WeakPolarHBondContact O-CB 3.37Å; A115-Q119 PolarHBondContact O-N 3.01Å; A115-G153 WeakPolarHBondContact CB-O 3.34Å; A115-G153 WeakPolarHBondContact O-CA 3.48Å; A115-Y155 HydrophobicContact CB-CD1 3.43Å; A115-Y155 VanDerWaalsContact CB-CD1 3.43Å; A115-Y155 HydrophobicContact CB-CE1 4Å; A115-Y155 HydrophobicContact CB-CG 4.24Å
116	S	98.6	Very high	96.7	Very high	66 Å²	66	45.6 Å²	45.6	46%	0.462	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-41.2	171.9	-63.1	0	0	0	0	112.4	Q112 R113 V114 M118 Q119 E120	Q112-S116 PolarHBondContact O-N 3Å; Q112-S116 PolarHBondContact O-OG 2.95Å; R113-S116 PolarHBondContact O-N 3.28Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 2.79Å; S116-M118 VanDerWaalsContact C-N 3.35Å; S116-Q119 PolarHBondContact O-N 3.48Å; S116-E120 WeakPolarHBondContact O-CB 3.44Å; S116-E120 PolarHBondContact O-N 2.86Å
117	V	98.4	Very high	96.5	Very high	14 Å²	14	46.8 Å²	46.8	9%	0.085	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-42.7	173.5	173.2	0	0	0	0	110.9	L86 R89 L93 R113 V114 A115 E120 Y121 F130	L86-V117 HydrophobicContact CD2-CG1 4.37Å; R89-V117 HydrophobicContact CG-CG1 4.22Å; R89-V117 HydrophobicContact CG-CG2 3.98Å; L93-V117 HydrophobicContact CD1-CG2 4.41Å; R113-V117 WeakPolarHBondContact O-CG2 3.26Å; R113-V117 PolarHBondContact O-N 2.87Å; V114-V117 WeakPolarHBondContact O-CB 3.42Å; V114-V117 PolarHBondContact O-N 2.93Å; V114-V117 VanDerWaalsContact O-N 3.13Å; A115-V117 VanDerWaalsContact C-N 3.35Å; A115-V117 PolarHBondContact O-N 2.8Å; V117-E120 PolarHBondContact O-N 3.09Å; V117-Y121 HydrophobicContact CG1-CD2 4.47Å; V117-Y121 HydrophobicContact CG1-CE2 4.25Å; V117-Y121 VanDerWaalsContact O-CD2 3.24Å; V117-Y121 WeakPolarHBondContact O-CD2 3.05Å; V117-Y121 PolarHBondContact O-N 3.16Å; V117-F130 HydrophobicContact CG1-CE2 4.35Å
118	M	98.5	Very high	96.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-43.8	178	-67	174.6	72.1	0	0	111.6	L86 V114 A115 S116 Y121 F130 V132 L134 D150	L86-M118 HydrophobicContact CD1-CE 4.27Å; L86-M118 HydrophobicContact CD1-CG 3.99Å; L86-M118 HydrophobicContact CD1-SD 4.02Å; L86-M118 HydrophobicContact CD2-CG 3.86Å; V114-M118 HydrophobicContact CG1-SD 4.24Å; V114-M118 WeakPolarHBondContact O-CG 3.46Å; V114-M118 PolarHBondContact O-N 3.49Å; A115-M118 PolarHBondContact O-N 3.49Å; S116-M118 VanDerWaalsContact C-N 3.35Å; M118-Y121 PolarHBondContact O-N 3.35Å; M118-F130 HydrophobicContact CB-CD2 4.28Å; M118-F130 HydrophobicContact CG-CD2 4.02Å; M118-V132 WeakPolarHBondContact CE-O 3.49Å; M118-L134 HydrophobicContact CE-CG 4.49Å; M118-L134 HydrophobicContact SD-CD1 3.84Å; M118-L134 HydrophobicContact SD-CG 4.31Å; M118-D150 VanDerWaalsContact CE-O 3.23Å; M118-D150 WeakPolarHBondContact CE-O 3.39Å
119	Q	97.4	Very high	96.2	Very high	71 Å²	71	50.5 Å²	50.5	33%	0.332	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-38.6	177.9	-170.6	-87.3	-11.3	0	0	112.2	A115 S116 Y121 T122 S152	A115-Q119 WeakPolarHBondContact O-CB 3.37Å; A115-Q119 PolarHBondContact O-N 3.01Å; S116-Q119 PolarHBondContact O-N 3.48Å; Q119-Y121 PolarHBondContact O-N 3.41Å; Q119-T122 WeakPolarHBondContact O-CA 3.34Å; Q119-T122 WeakPolarHBondContact O-CB 3.49Å; Q119-T122 PolarHBondContact O-N 3.09Å; Q119-T122 PolarHBondContact O-OG1 3.5Å; Q119-S152 WeakPolarHBondContact CG-O 3.49Å
120	E	97.2	Very high	96.2	Very high	100 Å²	100	47.3 Å²	47.3	47%	0.467	27%	0.272	S	S	.	.	H	α-helix	trans	-57.6	-36.1	176.4	-176.7	-179.3	179.1	0	0	111.7	S116 V117 T122 Q123 S124	S116-E120 WeakPolarHBondContact O-CB 3.44Å; S116-E120 PolarHBondContact O-N 2.86Å; V117-E120 PolarHBondContact O-N 3.09Å; E120-T122 PolarHBondContact O-N 3.22Å; E120-Q123 PolarHBondContact O-N 3.32Å; E120-Q123 VanDerWaalsContact O-N 3.14Å; E120-S124 WeakPolarHBondContact O-CB 3.35Å; E120-S124 PolarHBondContact O-N 2.96Å; E120-S124 PolarHBondContact O-OG 3.31Å
121	Y	96.1	Very high	96.2	Very high	76 Å²	76	47.5 Å²	47.5	30%	0.298	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-6.1	176.2	-83.2	-115.2	0	0	0	113.8	V117 M118 Q119 V127 F130	V117-Y121 HydrophobicContact CG1-CD2 4.47Å; V117-Y121 HydrophobicContact CG1-CE2 4.25Å; V117-Y121 VanDerWaalsContact O-CD2 3.24Å; V117-Y121 WeakPolarHBondContact O-CD2 3.05Å; V117-Y121 PolarHBondContact O-N 3.16Å; M118-Y121 PolarHBondContact O-N 3.35Å; Q119-Y121 PolarHBondContact O-N 3.41Å; Y121-V127 HydrophobicContact CD1-CB 3.75Å; Y121-V127 HydrophobicContact CD1-CG1 4.14Å; Y121-V127 HydrophobicContact CD1-CG2 3.89Å; Y121-V127 HydrophobicContact CE1-CB 4.07Å; Y121-V127 HydrophobicContact CE1-CG1 3.95Å; Y121-V127 HydrophobicContact CG-CG2 4.18Å; Y121-F130 HydrophobicContact CD1-CD2 4.39Å; Y121-F130 AromaticContact CD1-CE2 3.73Å; Y121-F130 HydrophobicContact CD1-CE2 3.73Å; Y121-F130 AromaticContact CD1-CZ 3.84Å; Y121-F130 HydrophobicContact CD1-CZ 3.84Å; Y121-F130 AromaticContact CD2-CE2 3.52Å; Y121-F130 HydrophobicContact CD2-CE2 3.52Å; Y121-F130 AromaticContact CD2-CZ 3.95Å; Y121-F130 HydrophobicContact CD2-CZ 3.95Å; Y121-F130 HydrophobicContact CE1-CE1 4.44Å; Y121-F130 HydrophobicContact CE1-CE2 4.13Å; Y121-F130 AromaticContact CE1-CZ 3.76Å; Y121-F130 HydrophobicContact CE1-CZ 3.76Å; Y121-F130 AromaticContact CE2-CE2 3.91Å; Y121-F130 HydrophobicContact CE2-CE2 3.91Å; Y121-F130 AromaticContact CE2-CZ 3.86Å; Y121-F130 HydrophobicContact CE2-CZ 3.86Å; Y121-F130 HydrophobicContact CG-CD2 4.1Å; Y121-F130 AromaticContact CG-CE2 3.41Å; Y121-F130 HydrophobicContact CG-CE2 3.41Å; Y121-F130 VanDerWaalsContact CG-CE2 3.41Å; Y121-F130 AromaticContact CG-CZ 3.93Å; Y121-F130 HydrophobicContact CG-CZ 3.93Å; Y121-F130 AromaticContact CZ-CZ 3.76Å
122	T	94.5	Very high	96.2	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.025	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-8.3	171.5	75.3	0	0	0	0	113	L10 I22 Q119 E120 P129 P151	L10-T122 CarbonylContact C-O 3.4Å; L10-T122 WeakPolarHBondContact CB-O 3.39Å; L10-T122 VanDerWaalsContact O-O 3.1Å; I22-T122 HydrophobicContact CD1-CG2 3.97Å; I22-T122 HydrophobicContact CG1-CG2 4.22Å; Q119-T122 WeakPolarHBondContact O-CA 3.34Å; Q119-T122 WeakPolarHBondContact O-CB 3.49Å; Q119-T122 PolarHBondContact O-N 3.09Å; Q119-T122 PolarHBondContact O-OG1 3.5Å; E120-T122 PolarHBondContact O-N 3.22Å; T122-P129 HydrophobicContact CG2-CB 4.38Å; T122-P129 HydrophobicContact CG2-CG 4.39Å; T122-P151 WeakPolarHBondContact CG2-O 3.35Å
123	Q	92.3	Very high	96.2	Very high	114 Å²	114	43.4 Å²	43.4	53%	0.533	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-15.1	-174.4	-58.8	-175.9	-6.5	0	0	113.6	T11 E120	T11-Q123 HydrophobicContact CG2-CB 4.19Å; T11-Q123 HydrophobicContact CG2-CG 4.42Å; E120-Q123 PolarHBondContact O-N 3.32Å; E120-Q123 VanDerWaalsContact O-N 3.14Å
124	S	91.9	Very high	96.2	Very high	42 Å²	42	40.2 Å²	40.2	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	-79.8	137.2	177.3	-61.3	0	0	0	0	112	L10 E120 V127	L10-S124 WeakPolarHBondContact CD1-O 3.33Å; E120-S124 WeakPolarHBondContact O-CB 3.35Å; E120-S124 PolarHBondContact O-N 2.96Å; E120-S124 PolarHBondContact O-OG 3.31Å; S124-V127 VanDerWaalsContact O-CG2 3.3Å; S124-V127 WeakPolarHBondContact O-CG2 3.39Å
125	G	88.6	Confident	96.2	Very high	74 Å²	74	40.1 Å²	40.1	76%	0.763	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	146.6	174.3	0	0	0	0	0	112.4	V127	G125-V127 VanDerWaalsContact C-N 3.3Å; G125-V127 PolarHBondContact O-N 2.87Å
126	G	90.6	Very high	96.2	Very high	89 Å²	89	40 Å²	40	92%	0.918	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	4.2	174	0	0	0	0	0	115.7
127	V	94.2	Very high	96.2	Very high	57 Å²	57	36.9 Å²	36.9	35%	0.345	22%	0.22	S	C	.	.			trans	-117.5	175	173.6	-62.5	0	0	0	0	111	L10 Y121 S124 G125	L10-V127 WeakPolarHBondContact CD1-O 3.34Å; Y121-V127 HydrophobicContact CD1-CB 3.75Å; Y121-V127 HydrophobicContact CD1-CG1 4.14Å; Y121-V127 HydrophobicContact CD1-CG2 3.89Å; Y121-V127 HydrophobicContact CE1-CB 4.07Å; Y121-V127 HydrophobicContact CE1-CG1 3.95Å; Y121-V127 HydrophobicContact CG-CG2 4.18Å; S124-V127 VanDerWaalsContact O-CG2 3.3Å; S124-V127 WeakPolarHBondContact O-CG2 3.39Å; G125-V127 VanDerWaalsContact C-N 3.3Å; G125-V127 PolarHBondContact O-N 2.87Å
128	R	94.5	Very high	96.2	Very high	115 Å²	115	36.2 Å²	36.2	43%	0.434	22%	0.215	S	C	.	.			trans	-123.9	154.2	168.4	57.5	169.2	-178.3	74.1	1.6	109	D82	D82-R128 IonicContact OD1-CZ 2.71Å; D82-R128 IonicContact OD1-NH1 2.61Å; D82-R128 PolarHBondContact OD1-NH1 2.86Å; D82-R128 IonicContact OD1-NH2 2.77Å; D82-R128 PolarHBondContact OD1-NH2 3.21Å; D82-R128 IonicContact OD2-CZ 3.78Å; D82-R128 IonicContact OD2-NH1 3.89Å; D82-R128 PolarHBondContact OD2-NH1 3.43Å; D82-R128 IonicContact OD2-NH2 3.47Å
129	P	97.4	Very high	96.2	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.032	22%	0.222	C	C	.	.			trans	-55.9	150.9	170.5	-23.9	35.1	0	0	0	110.8	L10 Q21 I22 A25 T122 G131	L10-P129 HydrophobicContact CD2-CG 4.01Å; Q21-P129 HydrophobicContact CB-CG 4.11Å; I22-P129 HydrophobicContact CG1-CG 4.5Å; A25-P129 HydrophobicContact CB-CB 4.19Å; T122-P129 HydrophobicContact CG2-CB 4.38Å; T122-P129 HydrophobicContact CG2-CG 4.39Å; P129-G131 PolarHBondContact O-N 2.87Å
130	F	98.4	Very high	96.2	Very high	9 Å²	9	35.7 Å²	35.7	4%	0.039	21%	0.212	C	C	.	.			trans	-67.7	126.6	173.4	-66.5	-83	0	0	0	109.5	D82 V85 L86 V117 M118 Y121 V132 P151	D82-F130 HydrophobicContact CB-CB 4.46Å; D82-F130 HydrophobicContact CB-CD1 3.94Å; D82-F130 WeakPolarHBondContact OD2-CA 3.28Å; V85-F130 HydrophobicContact CB-CE1 4.28Å; V85-F130 HydrophobicContact CG1-CE1 4Å; V85-F130 HydrophobicContact CG1-CZ 4.4Å; L86-F130 HydrophobicContact CD1-CB 4.16Å; L86-F130 HydrophobicContact CD1-CD1 4.01Å; L86-F130 HydrophobicContact CD1-CD2 4.37Å; L86-F130 HydrophobicContact CD1-CG 3.93Å; L86-F130 HydrophobicContact CD2-CD1 4.2Å; L86-F130 HydrophobicContact CD2-CD2 4.07Å; L86-F130 HydrophobicContact CD2-CE1 3.92Å; L86-F130 HydrophobicContact CD2-CE2 3.78Å; L86-F130 HydrophobicContact CD2-CG 4.27Å; L86-F130 HydrophobicContact CD2-CZ 3.7Å; L86-F130 HydrophobicContact CG-CD1 3.97Å; L86-F130 HydrophobicContact CG-CE1 3.98Å; L86-F130 HydrophobicContact CG-CG 4.27Å; L86-F130 HydrophobicContact CG-CZ 4.29Å; V117-F130 HydrophobicContact CG1-CE2 4.35Å; M118-F130 HydrophobicContact CB-CD2 4.28Å; M118-F130 HydrophobicContact CG-CD2 4.02Å; Y121-F130 HydrophobicContact CD1-CD2 4.39Å; Y121-F130 AromaticContact CD1-CE2 3.73Å; Y121-F130 HydrophobicContact CD1-CE2 3.73Å; Y121-F130 AromaticContact CD1-CZ 3.84Å; Y121-F130 HydrophobicContact CD1-CZ 3.84Å; Y121-F130 AromaticContact CD2-CE2 3.52Å; Y121-F130 HydrophobicContact CD2-CE2 3.52Å; Y121-F130 AromaticContact CD2-CZ 3.95Å; Y121-F130 HydrophobicContact CD2-CZ 3.95Å; Y121-F130 HydrophobicContact CE1-CE1 4.44Å; Y121-F130 HydrophobicContact CE1-CE2 4.13Å; Y121-F130 AromaticContact CE1-CZ 3.76Å; Y121-F130 HydrophobicContact CE1-CZ 3.76Å; Y121-F130 AromaticContact CE2-CE2 3.91Å; Y121-F130 HydrophobicContact CE2-CE2 3.91Å; Y121-F130 AromaticContact CE2-CZ 3.86Å; Y121-F130 HydrophobicContact CE2-CZ 3.86Å; Y121-F130 HydrophobicContact CG-CD2 4.1Å; Y121-F130 AromaticContact CG-CE2 3.41Å; Y121-F130 HydrophobicContact CG-CE2 3.41Å; Y121-F130 VanDerWaalsContact CG-CE2 3.41Å; Y121-F130 AromaticContact CG-CZ 3.93Å; Y121-F130 HydrophobicContact CG-CZ 3.93Å; Y121-F130 AromaticContact CZ-CZ 3.76Å; F130-V132 HydrophobicContact CB-CG2 4.03Å; F130-V132 PolarHBondContact O-N 3.36Å; F130-P151 VanDerWaalsContact O-CB 3.27Å; F130-P151 WeakPolarHBondContact O-CB 3.32Å; F130-P151 WeakPolarHBondContact O-CG 3.48Å
131	G	98.2	Very high	96	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.031	22%	0.22	C	C	.	.	S	Bend	trans	-79.4	42	178.8	0	0	0	0	0	112.9	G78 M79 D82 P129	G78-G131 CarbonylContact C-O 3.51Å; G78-G131 VanDerWaalsContact CA-O 3.31Å; G78-G131 WeakPolarHBondContact CA-O 3.47Å; M79-G131 PolarHBondContact N-O 2.79Å; D82-G131 PolarHBondContact OD2-N 3.41Å; P129-G131 PolarHBondContact O-N 2.87Å
132	V	98.6	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.9	-177.7	-64.9	0	0	0	0	112	V29 Y76 S77 M79 D82 L86 M118 F130 L134 P151	V29-V132 VanDerWaalsContact CG2-C 3.42Å; Y76-V132 HydrophobicContact CD2-CB 4.4Å; Y76-V132 HydrophobicContact CD2-CG1 3.68Å; Y76-V132 HydrophobicContact CE2-CG1 4.39Å; Y76-V132 HydrophobicContact CG-CG1 4.45Å; S77-V132 VanDerWaalsContact O-CA 3.31Å; S77-V132 WeakPolarHBondContact O-CA 3.42Å; M79-V132 HydrophobicContact CB-CG1 4.37Å; M79-V132 WeakPolarHBondContact O-CG1 3.14Å; D82-V132 HydrophobicContact CB-CG1 4.05Å; D82-V132 HydrophobicContact CB-CG2 4.4Å; L86-V132 HydrophobicContact CD1-CG2 3.59Å; M118-V132 WeakPolarHBondContact CE-O 3.49Å; F130-V132 HydrophobicContact CB-CG2 4.03Å; F130-V132 PolarHBondContact O-N 3.36Å; V132-L134 HydrophobicContact CB-CD2 4.19Å; V132-L134 HydrophobicContact CG2-CD2 3.78Å; V132-P151 WeakPolarHBondContact O-CD 3.28Å; V132-P151 WeakPolarHBondContact O-CG 3.42Å
133	S	98.8	Very high	96.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.7	155.4	-67.8	0	0	0	0	108.1	Y76 S77 S149 D150	Y76-S133 VanDerWaalsContact CA-O 3.29Å; Y76-S133 WeakPolarHBondContact CA-O 3.46Å; S77-S133 PolarHBondContact N-O 3.27Å; S77-S133 PolarHBondContact O-N 3.22Å; S133-S149 CarbonylContact C-O 3.59Å; S133-S149 VanDerWaalsContact CA-O 3.27Å; S133-S149 WeakPolarHBondContact CA-O 3.48Å; S133-D150 WeakPolarHBondContact CB-OD1 3.29Å; S133-D150 PolarHBondContact OG-OD1 3.43Å
134	L	98.9	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.4	-177.9	-52	-177.3	0	0	0	109.4	L74 V75 Y83 L86 V114 M118 V132 I136 Q148 S149	L74-L134 HydrophobicContact CD1-CD1 4.31Å; L74-L134 HydrophobicContact CD2-CB 4.04Å; L74-L134 HydrophobicContact CD2-CD1 4.09Å; L74-L134 HydrophobicContact CD2-CD2 3.8Å; L74-L134 HydrophobicContact CD2-CG 4.17Å; V75-L134 WeakPolarHBondContact O-CA 3.39Å; Y83-L134 HydrophobicContact CD2-CD2 4.21Å; L86-L134 HydrophobicContact CB-CD1 4.47Å; L86-L134 HydrophobicContact CD1-CD1 3.96Å; L86-L134 HydrophobicContact CD1-CD2 4.24Å; L86-L134 HydrophobicContact CD1-CG 4.45Å; V114-L134 HydrophobicContact CG1-CD1 3.81Å; M118-L134 HydrophobicContact CE-CG 4.49Å; M118-L134 HydrophobicContact SD-CD1 3.84Å; M118-L134 HydrophobicContact SD-CG 4.31Å; V132-L134 HydrophobicContact CB-CD2 4.19Å; V132-L134 HydrophobicContact CG2-CD2 3.78Å; L134-I136 HydrophobicContact CB-CG1 4.21Å; L134-I136 HydrophobicContact CD1-CD1 4.43Å; L134-Q148 CarbonylContact O-C 3.56Å; L134-Q148 VanDerWaalsContact O-CA 3.25Å; L134-Q148 WeakPolarHBondContact O-CA 3.22Å; L134-S149 PolarHBondContact N-O 3.38Å; L134-S149 PolarHBondContact O-N 3.44Å
135	L	98.9	Very high	96.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126	154.7	-61.6	172.8	0	0	0	108.2	L46 L74 V75 L146 F147 Q148 T161 M163	L46-L135 HydrophobicContact CD2-CB 3.83Å; L46-L135 HydrophobicContact CD2-CD1 4.38Å; L74-L135 WeakPolarHBondContact CA-O 3.43Å; V75-L135 HydrophobicContact CG1-CB 3.71Å; V75-L135 HydrophobicContact CG1-CD1 4.25Å; V75-L135 HydrophobicContact CG1-CG 4.39Å; V75-L135 PolarHBondContact N-O 3.38Å; V75-L135 PolarHBondContact O-N 3.5Å; L135-L146 HydrophobicContact CB-CD1 4.33Å; L135-F147 CarbonylContact C-O 3.58Å; L135-F147 VanDerWaalsContact CA-O 3.31Å; L135-F147 WeakPolarHBondContact CA-O 3.4Å; L135-Q148 HydrophobicContact CD2-CB 3.71Å; L135-Q148 HydrophobicContact CD2-CG 3.9Å; L135-T161 HydrophobicContact CD1-CG2 4.28Å; L135-T161 HydrophobicContact CD2-CG2 3.33Å; L135-T161 HydrophobicContact CG-CG2 4.44Å; L135-M163 HydrophobicContact CB-CE 4.15Å; L135-M163 HydrophobicContact CD1-CE 3.92Å; L135-M163 HydrophobicContact CD1-CG 4.38Å; L135-M163 HydrophobicContact CD1-SD 4.41Å; L135-M163 HydrophobicContact CD2-SD 4.43Å; L135-M163 HydrophobicContact CG-CE 3.56Å; L135-M163 HydrophobicContact CG-CG 4.42Å; L135-M163 HydrophobicContact CG-SD 3.87Å
136	I	98.9	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.7	180	-53.7	172.6	0	0	0	106.2	I72 G73 L74 T107 V111 V114 L134 F147	I72-I136 HydrophobicContact CG2-CG2 3.9Å; G73-I136 WeakPolarHBondContact O-CA 3.48Å; L74-I136 HydrophobicContact CD1-CD1 4.14Å; L74-I136 HydrophobicContact CD1-CG1 3.75Å; L74-I136 HydrophobicContact CG-CG1 3.86Å; T107-I136 HydrophobicContact CG2-CG2 4.5Å; V111-I136 HydrophobicContact CB-CD1 4.37Å; V111-I136 HydrophobicContact CG1-CD1 4.49Å; V111-I136 HydrophobicContact CG2-CB 3.84Å; V111-I136 HydrophobicContact CG2-CD1 3.82Å; V111-I136 HydrophobicContact CG2-CG1 4.4Å; V111-I136 HydrophobicContact CG2-CG2 3.75Å; V114-I136 HydrophobicContact CG1-CD1 4.45Å; L134-I136 HydrophobicContact CB-CG1 4.21Å; L134-I136 HydrophobicContact CD1-CD1 4.43Å; I136-F147 PolarHBondContact N-O 2.92Å; I136-F147 PolarHBondContact O-N 3.03Å
137	C	98.8	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	157	174.9	74.9	0	0	0	0	111.2	V44 L46 I72 G73 Y145 L146	V44-C137 HydrophobicContact CB-CB 3.93Å; V44-C137 HydrophobicContact CG1-CB 3.55Å; V44-C137 HydrophobicContact CG2-CB 4.43Å; L46-C137 HydrophobicContact CD1-CB 4.1Å; L46-C137 WeakPolarHBondContact CD1-SG 3.26Å; L46-C137 HydrophobicContact CD2-CB 4.19Å; L46-C137 HydrophobicContact CG-CB 4.12Å; I72-C137 CarbonylContact C-O 3.4Å; I72-C137 VanDerWaalsContact CA-O 3.26Å; I72-C137 WeakPolarHBondContact CA-O 3.45Å; I72-C137 VanDerWaalsContact CG2-O 3.26Å; I72-C137 WeakPolarHBondContact CG2-O 3.07Å; G73-C137 PolarHBondContact N-O 3.01Å; G73-C137 PolarHBondContact O-N 2.77Å; C137-Y145 CarbonylContact C-O 3.56Å; C137-Y145 WeakPolarHBondContact CA-O 3.38Å; C137-L146 HydrophobicContact CB-CD1 4.44Å
138	G	98.6	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	169.5	170.3	0	0	0	0	0	113	H71 T107 Y145	H71-G138 CarbonylContact O-C 3.56Å; H71-G138 WeakPolarHBondContact O-CA 3.26Å; T107-G138 WeakPolarHBondContact OG1-CA 3.37Å; G138-Y145 PolarHBondContact N-O 2.73Å; G138-Y145 PolarHBondContact O-N 3.06Å
139	W	98.4	Very high	97.9	Very high	39 Å²	39	24 Å²	24	15%	0.148	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.8	173.6	-177.2	-85.9	0	0	0	109	N42 H71 R143 P144 C213 N214 E215	N42-W139 WeakPolarHBondContact O-CZ3 3.22Å; H71-W139 PolarHBondContact CD2-O 2.97Å; H71-W139 PolarHBondContact O-N 3.17Å; W139-R143 WeakPolarHBondContact CA-O 3.24Å; W139-P144 HydrophobicContact CE3-CB 3.9Å; W139-P144 HydrophobicContact CE3-CG 4.46Å; W139-P144 HydrophobicContact CZ3-CB 3.96Å; W139-P144 HydrophobicContact CZ3-CG 4.06Å; W139-C213 PolarHBondContact N-SG 3.3Å; W139-N214 VanDerWaalsContact CB-O 3.32Å; W139-N214 WeakPolarHBondContact CB-O 3.48Å; W139-N214 VanDerWaalsContact CG-C 3.5Å; W139-E215 HydrophobicContact CZ2-CB 4.05Å
140	N	96.2	Very high	98	Very high	20 Å²	20	25.2 Å²	25.2	11%	0.107	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150.3	174.5	57.5	-75.3	0	0	0	110	T107 G142 R143 Y145	T107-N140 WeakPolarHBondContact CB-OD1 3.3Å; T107-N140 PolarHBondContact OG1-OD1 3.34Å; N140-G142 PolarHBondContact O-N 2.74Å; N140-R143 PolarHBondContact N-O 2.98Å; N140-R143 PolarHBondContact O-N 3.49Å; N140-Y145 VanDerWaalsContact CG-CE2 3.43Å; N140-Y145 WeakPolarHBondContact ND2-CE2 3.45Å; N140-Y145 WeakPolarHBondContact O-CE2 3.28Å; N140-Y145 WeakPolarHBondContact OD1-CD2 3.5Å; N140-Y145 WeakPolarHBondContact OD1-CE2 3.29Å
141	E	93.7	Very high	98	Very high	138 Å²	138	24.8 Å²	24.8	65%	0.645	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	36.2	-179.5	-54.8	170.3	-176	0	0	113.7	R143	E141-R143 PolarHBondContact O-N 3.04Å; E141-R143 IonicContact OE2-CZ 3.57Å; E141-R143 IonicContact OE2-NH2 3.51Å; E141-R143 PolarHBondContact OE2-NH2 2.76Å
142	G	95.1	Very high	97.9	Very high	54 Å²	54	26.3 Å²	26.3	56%	0.557	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	17.9	-178.9	0	0	0	0	0	114.4	N140	N140-G142 PolarHBondContact O-N 2.74Å
143	R	96.6	Very high	97.8	Very high	131 Å²	131	26.9 Å²	26.9	49%	0.494	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.1	-176.2	-65.7	-177.2	-64.2	-170.8	-2.7	112.6	W139 N140 E141 Y145	W139-R143 WeakPolarHBondContact CA-O 3.24Å; N140-R143 PolarHBondContact N-O 2.98Å; N140-R143 PolarHBondContact O-N 3.49Å; E141-R143 PolarHBondContact O-N 3.04Å; E141-R143 IonicContact OE2-CZ 3.57Å; E141-R143 IonicContact OE2-NH2 3.51Å; E141-R143 PolarHBondContact OE2-NH2 2.76Å; R143-Y145 HydrophobicContact CB-CE2 3.96Å; R143-Y145 PolarHBondContact NE-OH 3.18Å; R143-Y145 PolarHBondContact NH2-OH 2.83Å; R143-Y145 VanDerWaalsContact NH2-OH 3.16Å; R143-Y145 WeakPolarHBondContact O-CD2 3.45Å; R143-Y145 WeakPolarHBondContact O-CE2 3.25Å
144	P	98.1	Very high	97.8	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.123	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141	172.1	30.5	-29.7	0	0	0	111.6	K39 A40 G43 V44 W139	K39-P144 HydrophobicContact CD-CB 4.4Å; K39-P144 HydrophobicContact CD-CG 4.15Å; K39-P144 WeakPolarHBondContact CD-O 3.43Å; K39-P144 HydrophobicContact CG-CB 3.92Å; K39-P144 HydrophobicContact CG-CG 3.82Å; A40-P144 VanDerWaalsContact O-CG 3.25Å; A40-P144 WeakPolarHBondContact O-CG 3.2Å; G43-P144 WeakPolarHBondContact O-CB 3.45Å; V44-P144 HydrophobicContact CG2-CB 3.42Å; V44-P144 VanDerWaalsContact CG2-CB 3.42Å; W139-P144 HydrophobicContact CE3-CB 3.9Å; W139-P144 HydrophobicContact CE3-CG 4.46Å; W139-P144 HydrophobicContact CZ3-CB 3.96Å; W139-P144 HydrophobicContact CZ3-CG 4.06Å
145	Y	98.5	Very high	97.8	Very high	45 Å²	45	32.5 Å²	32.5	18%	0.176	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.9	177.9	-68.5	-91.8	0	0	0	110.9	C137 G138 N140 R143 F147	C137-Y145 CarbonylContact C-O 3.56Å; C137-Y145 WeakPolarHBondContact CA-O 3.38Å; G138-Y145 PolarHBondContact N-O 2.73Å; G138-Y145 PolarHBondContact O-N 3.06Å; N140-Y145 VanDerWaalsContact CG-CE2 3.43Å; N140-Y145 WeakPolarHBondContact ND2-CE2 3.45Å; N140-Y145 WeakPolarHBondContact O-CE2 3.28Å; N140-Y145 WeakPolarHBondContact OD1-CD2 3.5Å; N140-Y145 WeakPolarHBondContact OD1-CE2 3.29Å; R143-Y145 HydrophobicContact CB-CE2 3.96Å; R143-Y145 PolarHBondContact NE-OH 3.18Å; R143-Y145 PolarHBondContact NH2-OH 2.83Å; R143-Y145 VanDerWaalsContact NH2-OH 3.16Å; R143-Y145 WeakPolarHBondContact O-CD2 3.45Å; R143-Y145 WeakPolarHBondContact O-CE2 3.25Å; Y145-F147 AromaticContact CD1-CE2 3.83Å; Y145-F147 HydrophobicContact CD1-CE2 3.83Å; Y145-F147 HydrophobicContact CD1-CZ 4.23Å; Y145-F147 HydrophobicContact CG-CE2 4.27Å
146	L	98.8	Very high	97.8	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	122	172.8	175	65.3	0	0	0	108.7	G37 K39 V44 L46 L135 C137 A157 W158	G37-L146 VanDerWaalsContact C-CD2 3.41Å; G37-L146 WeakPolarHBondContact O-CD2 3.31Å; K39-L146 HydrophobicContact CB-CB 4.42Å; V44-L146 HydrophobicContact CG1-CB 4.09Å; V44-L146 HydrophobicContact CG1-CD1 4.16Å; L46-L146 HydrophobicContact CD2-CD1 3.86Å; L135-L146 HydrophobicContact CB-CD1 4.33Å; C137-L146 HydrophobicContact CB-CD1 4.44Å; L146-A157 CarbonylContact O-C 3.58Å; L146-A157 WeakPolarHBondContact O-CA 3.4Å; L146-W158 HydrophobicContact CD2-CB 4.14Å; L146-W158 HydrophobicContact CG-CB 4.31Å; L146-W158 PolarHBondContact O-N 3.38Å
147	F	98.8	Very high	97.7	Very high	21 Å²	21	41.6 Å²	41.6	9%	0.092	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.5	176.6	-68.9	-93.5	0	0	0	110.4	T107 A108 V111 L135 I136 Y145 Y155 F156 A157	T107-F147 HydrophobicContact CG2-CD2 4.19Å; T107-F147 HydrophobicContact CG2-CE2 4.29Å; A108-F147 HydrophobicContact CB-CE2 4.36Å; A108-F147 HydrophobicContact CB-CZ 3.99Å; V111-F147 HydrophobicContact CB-CB 4.48Å; V111-F147 HydrophobicContact CB-CG 4.37Å; V111-F147 HydrophobicContact CG1-CB 3.92Å; V111-F147 HydrophobicContact CG1-CD1 4.12Å; V111-F147 HydrophobicContact CG1-CG 4.04Å; V111-F147 HydrophobicContact CG2-CB 3.76Å; V111-F147 HydrophobicContact CG2-CD2 3.77Å; V111-F147 HydrophobicContact CG2-CE2 4.49Å; V111-F147 HydrophobicContact CG2-CG 3.79Å; L135-F147 CarbonylContact C-O 3.58Å; L135-F147 VanDerWaalsContact CA-O 3.31Å; L135-F147 WeakPolarHBondContact CA-O 3.4Å; I136-F147 PolarHBondContact N-O 2.92Å; I136-F147 PolarHBondContact O-N 3.03Å; Y145-F147 AromaticContact CD1-CE2 3.83Å; Y145-F147 HydrophobicContact CD1-CE2 3.83Å; Y145-F147 HydrophobicContact CD1-CZ 4.23Å; Y145-F147 HydrophobicContact CG-CE2 4.27Å; F147-Y155 HydrophobicContact CD1-CD2 4.22Å; F147-F156 CarbonylContact C-O 3.59Å; F147-F156 VanDerWaalsContact CA-O 3.28Å; F147-F156 WeakPolarHBondContact CA-O 3.23Å; F147-A157 HydrophobicContact CD1-CB 3.99Å; F147-A157 HydrophobicContact CE1-CB 3.71Å; F147-A157 HydrophobicContact CZ-CB 4.26Å
148	Q	98.7	Very high	97.7	Very high	16 Å²	16	45.6 Å²	45.6	8%	0.075	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.5	164.3	-173.3	-176.9	-36.8	0	0	108.5	L134 L135 D150 Y155 F156 W158 T161	L134-Q148 CarbonylContact O-C 3.56Å; L134-Q148 VanDerWaalsContact O-CA 3.25Å; L134-Q148 WeakPolarHBondContact O-CA 3.22Å; L135-Q148 HydrophobicContact CD2-CB 3.71Å; L135-Q148 HydrophobicContact CD2-CG 3.9Å; Q148-D150 PolarHBondContact NE2-OD1 2.61Å; Q148-Y155 CarbonylContact O-C 3.46Å; Q148-Y155 WeakPolarHBondContact O-CA 3.11Å; Q148-Y155 VanDerWaalsContact O-CB 3.3Å; Q148-Y155 WeakPolarHBondContact O-CB 3.19Å; Q148-F156 PolarHBondContact N-O 2.87Å; Q148-F156 PolarHBondContact O-N 3.5Å; Q148-W158 VanDerWaalsContact CB-NE1 3.33Å; Q148-T161 PolarHBondContact OE1-OG1 2.85Å; Q148-T161 VanDerWaalsContact OE1-OG1 3.12Å
149	S	98.6	Very high	97.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.4	170	-173.4	0	0	0	0	109.7	S133 L134 A154	S133-S149 CarbonylContact C-O 3.59Å; S133-S149 VanDerWaalsContact CA-O 3.27Å; S133-S149 WeakPolarHBondContact CA-O 3.48Å; L134-S149 PolarHBondContact N-O 3.38Å; L134-S149 PolarHBondContact O-N 3.44Å; S149-A154 WeakPolarHBondContact CA-O 3.46Å
150	D	98	Very high	97.7	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.16	26%	0.26	C	S	.	.			trans	-101.6	166.5	-177.9	-71.5	-30.2	0	0	0	111.8	L26 M118 S133 Q148 S152 G153 A154	L26-D150 HydrophobicContact CD2-CB 4.34Å; M118-D150 VanDerWaalsContact CE-O 3.23Å; M118-D150 WeakPolarHBondContact CE-O 3.39Å; S133-D150 WeakPolarHBondContact CB-OD1 3.29Å; S133-D150 PolarHBondContact OG-OD1 3.43Å; Q148-D150 PolarHBondContact NE2-OD1 2.61Å; D150-S152 PolarHBondContact O-N 3.2Å; D150-G153 PolarHBondContact O-N 3.13Å; D150-A154 PolarHBondContact N-O 3.44Å
151	P	98.1	Very high	97.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-26	-179.8	-33.4	37.4	0	0	0	116.2	A25 L26 V29 T122 F130 V132 G153	A25-P151 HydrophobicContact CB-CB 3.57Å; A25-P151 HydrophobicContact CB-CG 3.76Å; L26-P151 HydrophobicContact CD2-CG 4.23Å; L26-P151 HydrophobicContact CG-CG 4.38Å; V29-P151 HydrophobicContact CG2-CG 4.06Å; T122-P151 WeakPolarHBondContact CG2-O 3.35Å; F130-P151 VanDerWaalsContact O-CB 3.27Å; F130-P151 WeakPolarHBondContact O-CB 3.32Å; F130-P151 WeakPolarHBondContact O-CG 3.48Å; V132-P151 WeakPolarHBondContact O-CD 3.28Å; V132-P151 WeakPolarHBondContact O-CG 3.42Å; P151-G153 PolarHBondContact O-N 3.17Å
152	S	96.9	Very high	98	Very high	34 Å²	34	42.1 Å²	42.1	24%	0.238	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.8	176	58.7	0	0	0	0	114.2	Q119 D150 A154	Q119-S152 WeakPolarHBondContact CG-O 3.49Å; D150-S152 PolarHBondContact O-N 3.2Å; S152-A154 VanDerWaalsContact OG-CB 3.29Å; S152-A154 WeakPolarHBondContact OG-CB 3.29Å; S152-A154 PolarHBondContact OG-N 3.47Å; S152-A154 VanDerWaalsContact OG-N 3.11Å
153	G	97.5	Very high	98.2	Very high	12 Å²	12	39.9 Å²	39.9	12%	0.124	20%	0.201	C	C	.	.	S	Bend	trans	74.3	10.2	-164.3	0	0	0	0	0	113.9	A115 D150 P151	A115-G153 WeakPolarHBondContact CB-O 3.34Å; A115-G153 WeakPolarHBondContact O-CA 3.48Å; D150-G153 PolarHBondContact O-N 3.13Å; P151-G153 PolarHBondContact O-N 3.17Å
154	A	98	Very high	98.2	Very high	35 Å²	35	33.7 Å²	33.7	29%	0.289	18%	0.178	S	C	.	.			trans	-68.6	136.9	162.8	0	0	0	0	0	109.3	S149 D150 S152 F156	S149-A154 WeakPolarHBondContact CA-O 3.46Å; D150-A154 PolarHBondContact N-O 3.44Å; S152-A154 VanDerWaalsContact OG-CB 3.29Å; S152-A154 WeakPolarHBondContact OG-CB 3.29Å; S152-A154 PolarHBondContact OG-N 3.47Å; S152-A154 VanDerWaalsContact OG-N 3.11Å; A154-F156 HydrophobicContact CB-CE2 4.1Å; A154-F156 HydrophobicContact CB-CZ 4.43Å
155	Y	98.4	Very high	98.1	Very high	85 Å²	85	36.4 Å²	36.4	33%	0.333	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.2	176.4	65.6	-87.6	0	0	0	111.9	V111 A115 F147 Q148	V111-Y155 HydrophobicContact CG1-CD1 4.47Å; V111-Y155 HydrophobicContact CG1-CD2 3.54Å; V111-Y155 HydrophobicContact CG1-CE2 4.18Å; V111-Y155 HydrophobicContact CG1-CG 3.71Å; A115-Y155 HydrophobicContact CB-CD1 3.43Å; A115-Y155 VanDerWaalsContact CB-CD1 3.43Å; A115-Y155 HydrophobicContact CB-CE1 4Å; A115-Y155 HydrophobicContact CB-CG 4.24Å; F147-Y155 HydrophobicContact CD1-CD2 4.22Å; Q148-Y155 CarbonylContact O-C 3.46Å; Q148-Y155 WeakPolarHBondContact O-CA 3.11Å; Q148-Y155 VanDerWaalsContact O-CB 3.3Å; Q148-Y155 WeakPolarHBondContact O-CB 3.19Å
156	F	98.4	Very high	98	Very high	120 Å²	120	38.2 Å²	38.2	53%	0.526	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.5	-177.9	-55.8	-81	0	0	0	110.6	F147 Q148 A154 W158	F147-F156 CarbonylContact C-O 3.59Å; F147-F156 VanDerWaalsContact CA-O 3.28Å; F147-F156 WeakPolarHBondContact CA-O 3.23Å; Q148-F156 PolarHBondContact N-O 2.87Å; Q148-F156 PolarHBondContact O-N 3.5Å; A154-F156 HydrophobicContact CB-CE2 4.1Å; A154-F156 HydrophobicContact CB-CZ 4.43Å; F156-W158 PolarHBondContact O-NE1 2.85Å
157	A	98.3	Very high	97.9	Very high	72 Å²	72	42.8 Å²	42.8	60%	0.595	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	140.4	170.8	0	0	0	0	0	110.2	L146 F147	L146-A157 CarbonylContact O-C 3.58Å; L146-A157 WeakPolarHBondContact O-CA 3.4Å; F147-A157 HydrophobicContact CD1-CB 3.99Å; F147-A157 HydrophobicContact CE1-CB 3.71Å; F147-A157 HydrophobicContact CZ-CB 4.26Å
158	W	98.4	Very high	97.8	Very high	83 Å²	83	45.6 Å²	45.6	31%	0.314	24%	0.237	S	C	.	.			trans	-127.9	148.1	-177.3	-67.6	89	0	0	0	111.9	L146 Q148 F156 T161	L146-W158 HydrophobicContact CD2-CB 4.14Å; L146-W158 HydrophobicContact CG-CB 4.31Å; L146-W158 PolarHBondContact O-N 3.38Å; Q148-W158 VanDerWaalsContact CB-NE1 3.33Å; F156-W158 PolarHBondContact O-NE1 2.85Å; W158-T161 HydrophobicContact CB-CG2 4.08Å; W158-T161 HydrophobicContact CD2-CG2 4.24Å; W158-T161 HydrophobicContact CG-CG2 3.87Å
159	K	98.3	Very high	97.7	Very high	101 Å²	101	49.5 Å²	49.5	44%	0.439	26%	0.258	S	S	.	.	S	Bend	trans	-79.8	-46.2	164.4	-69.1	-169.4	-170.5	-177.2	0	110.4	K39 Y178 E180	K39-K159 VanDerWaalsContact CB-O 3.24Å; K39-K159 WeakPolarHBondContact CB-O 3.45Å; K39-K159 PolarHBondContact N-O 2.87Å; K159-Y178 HydrophobicContact CB-CD1 4.46Å; K159-Y178 HydrophobicContact CB-CE1 3.76Å; K159-Y178 HydrophobicContact CB-CE2 4.15Å; K159-Y178 HydrophobicContact CD-CE1 3.59Å; K159-Y178 HydrophobicContact CG-CE1 4.23Å; K159-E180 IonicContact NZ-OE1 3.45Å; K159-E180 PolarHBondContact NZ-OE1 3.29Å
160	A	98.6	Very high	97.7	Very high	18 Å²	18	49.8 Å²	49.8	15%	0.149	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	150.1	167.9	0	0	0	0	0	108.4	G37 I38 L174 Y178	G37-A160 CarbonylContact O-C 3.54Å; G37-A160 VanDerWaalsContact O-CA 3.23Å; G37-A160 WeakPolarHBondContact O-CA 3.46Å; I38-A160 HydrophobicContact CB-CB 4.42Å; I38-A160 HydrophobicContact CG1-CB 4.21Å; I38-A160 HydrophobicContact CG2-CB 4.19Å; A160-L174 HydrophobicContact CB-CB 4.43Å; A160-L174 HydrophobicContact CB-CD1 4.19Å; A160-L174 HydrophobicContact CB-CD2 4.32Å; A160-Y178 HydrophobicContact CB-CD2 4Å; A160-Y178 HydrophobicContact CB-CG 4.43Å
161	T	98.5	Very high	97.7	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	158.7	173.9	-172.4	0	0	0	0	110.6	V36 G37 L135 Q148 W158 K171	V36-T161 WeakPolarHBondContact CA-O 3.44Å; G37-T161 PolarHBondContact N-O 3.31Å; G37-T161 PolarHBondContact O-N 2.96Å; L135-T161 HydrophobicContact CD1-CG2 4.28Å; L135-T161 HydrophobicContact CD2-CG2 3.33Å; L135-T161 HydrophobicContact CG-CG2 4.44Å; Q148-T161 PolarHBondContact OE1-OG1 2.85Å; Q148-T161 VanDerWaalsContact OE1-OG1 3.12Å; W158-T161 HydrophobicContact CB-CG2 4.08Å; W158-T161 HydrophobicContact CD2-CG2 4.24Å; W158-T161 HydrophobicContact CG-CG2 3.87Å; T161-K171 WeakPolarHBondContact OG1-CE 3.31Å
162	A	98.4	Very high	97.7	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.033	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.2	171.6	0	0	0	0	0	109.5	S35 V36 K171 L174	S35-A162 CarbonylContact O-C 3.54Å; S35-A162 WeakPolarHBondContact O-CA 3.17Å; V36-A162 HydrophobicContact CG2-CB 4.19Å; A162-K171 HydrophobicContact CB-CG 4.27Å; A162-K171 WeakPolarHBondContact O-CE 3.38Å; A162-L174 HydrophobicContact CB-CD1 4.15Å
163	M	98	Very high	97.7	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.034	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.6	177.1	58.7	173.5	-174	0	0	110.3	P34 S35 V75 Y76 S77 L135	P34-M163 CarbonylContact C-O 3.54Å; P34-M163 VanDerWaalsContact CA-O 3.31Å; P34-M163 WeakPolarHBondContact CA-O 3.43Å; S35-M163 VanDerWaalsContact CB-CE 3.44Å; S35-M163 PolarHBondContact N-O 3.32Å; S35-M163 PolarHBondContact O-N 3.15Å; V75-M163 HydrophobicContact CG1-CE 4.19Å; Y76-M163 VanDerWaalsContact C-CE 3.44Å; S77-M163 WeakPolarHBondContact OG-CG 3.43Å; S77-M163 PolarHBondContact OG-O 3.37Å; L135-M163 HydrophobicContact CB-CE 4.15Å; L135-M163 HydrophobicContact CD1-CE 3.92Å; L135-M163 HydrophobicContact CD1-CG 4.38Å; L135-M163 HydrophobicContact CD1-SD 4.41Å; L135-M163 HydrophobicContact CD2-SD 4.43Å; L135-M163 HydrophobicContact CG-CE 3.56Å; L135-M163 HydrophobicContact CG-CG 4.42Å; L135-M163 HydrophobicContact CG-SD 3.87Å
164	G	97.5	Very high	97.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.01	27%	0.272	C	S	.	.	S	Bend	trans	94	-160	-176.5	0	0	0	0	0	113.9	V29 A30 G32 N166 Y167	V29-G164 WeakPolarHBondContact O-CA 3.28Å; A30-G164 CarbonylContact O-C 3.59Å; G32-G164 CarbonylContact O-C 3.55Å; G164-N166 PolarHBondContact O-N 2.86Å; G164-Y167 WeakPolarHBondContact O-CB 3.42Å; G164-Y167 WeakPolarHBondContact O-CD1 3.3Å; G164-Y167 PolarHBondContact O-N 2.92Å
165	K	96.3	Very high	97.7	Very high	77 Å²	77	58.6 Å²	58.6	34%	0.335	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	134.5	177.8	-170.6	179.5	179.9	-177.7	0	110.2	A30 G32 Y167 E200	A30-K165 WeakPolarHBondContact O-CA 3.09Å; A30-K165 PolarHBondContact O-N 2.92Å; G32-K165 PolarHBondContact O-N 2.82Å; K165-Y167 PolarHBondContact O-N 3.39Å; K165-Y167 VanDerWaalsContact O-N 3.15Å; K165-E200 IonicContact NZ-OE1 2.64Å; K165-E200 PolarHBondContact NZ-OE1 2.85Å
166	N	95.2	Very high	97.7	Very high	82 Å²	82	62.4 Å²	62.4	44%	0.439	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	26.3	177.8	-62.2	-13	0	0	0	115.2	G164 V168 N169 G170	G164-N166 PolarHBondContact O-N 2.86Å; N166-V168 PolarHBondContact O-N 3.04Å; N166-V168 VanDerWaalsContact O-N 3.08Å; N166-N169 PolarHBondContact O-N 3.45Å; N166-N169 VanDerWaalsContact O-N 3.1Å; N166-G170 PolarHBondContact O-N 3.21Å
167	Y	97	Very high	97.5	Very high	99 Å²	99	62.6 Å²	62.6	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-56.7	-28.7	-177.4	76	-87.8	0	0	0	114.6	G164 K165 G170 K171	G164-Y167 WeakPolarHBondContact O-CB 3.42Å; G164-Y167 WeakPolarHBondContact O-CD1 3.3Å; G164-Y167 PolarHBondContact O-N 2.92Å; K165-Y167 PolarHBondContact O-N 3.39Å; K165-Y167 VanDerWaalsContact O-N 3.15Å; Y167-G170 PolarHBondContact O-N 2.87Å; Y167-K171 HydrophobicContact CD2-CD 4.19Å; Y167-K171 WeakPolarHBondContact O-CG 2.77Å; Y167-K171 PolarHBondContact O-N 3.2Å
168	V	97.3	Very high	97.5	Very high	81 Å²	81	61.6 Å²	61.6	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-48	177.5	178	0	0	0	0	110.6	N166 G170 K171 T172	N166-V168 PolarHBondContact O-N 3.04Å; N166-V168 VanDerWaalsContact O-N 3.08Å; V168-G170 VanDerWaalsContact C-N 3.33Å; V168-G170 PolarHBondContact O-N 2.79Å; V168-K171 PolarHBondContact O-N 2.68Å; V168-T172 PolarHBondContact O-N 2.87Å; V168-T172 PolarHBondContact O-OG1 2.93Å; V168-T172 VanDerWaalsContact O-OG1 3.07Å
169	N	96.9	Very high	97.4	Very high	97 Å²	97	61.1 Å²	61.1	52%	0.519	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-40.5	176.7	-68.7	-1.1	0	0	0	110.9	N166 K171 T172 F173	N166-N169 PolarHBondContact O-N 3.45Å; N166-N169 VanDerWaalsContact O-N 3.1Å; N169-K171 VanDerWaalsContact C-N 3.34Å; N169-K171 PolarHBondContact O-N 3.47Å; N169-T172 PolarHBondContact O-N 2.91Å; N169-F173 WeakPolarHBondContact O-CB 3.07Å; N169-F173 PolarHBondContact O-N 3.02Å
170	G	97.6	Very high	97.2	Very high	7 Å²	7	62.3 Å²	62.3	7%	0.072	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-43.1	175.5	0	0	0	0	0	112.7	N166 Y167 V168 F173 L174	N166-G170 PolarHBondContact O-N 3.21Å; Y167-G170 PolarHBondContact O-N 2.87Å; V168-G170 VanDerWaalsContact C-N 3.33Å; V168-G170 PolarHBondContact O-N 2.79Å; G170-F173 PolarHBondContact O-N 2.89Å; G170-L174 VanDerWaalsContact O-CG 3.29Å; G170-L174 WeakPolarHBondContact O-CG 3.35Å; G170-L174 PolarHBondContact O-N 3.16Å
171	K	98	Very high	97.1	Very high	55 Å²	55	68 Å²	68	24%	0.239	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-46.8	175	-72.6	-176.8	179.8	-169.6	0	112	T161 A162 Y167 V168 N169 F173 L174 E175	T161-K171 WeakPolarHBondContact OG1-CE 3.31Å; A162-K171 HydrophobicContact CB-CG 4.27Å; A162-K171 WeakPolarHBondContact O-CE 3.38Å; Y167-K171 HydrophobicContact CD2-CD 4.19Å; Y167-K171 WeakPolarHBondContact O-CG 2.77Å; Y167-K171 PolarHBondContact O-N 3.2Å; V168-K171 PolarHBondContact O-N 2.68Å; N169-K171 VanDerWaalsContact C-N 3.34Å; N169-K171 PolarHBondContact O-N 3.47Å; K171-F173 PolarHBondContact O-N 3.07Å; K171-L174 PolarHBondContact O-N 3.45Å; K171-L174 VanDerWaalsContact O-N 3.14Å; K171-E175 WeakPolarHBondContact O-CG 3.4Å; K171-E175 PolarHBondContact O-N 3.36Å
172	T	98	Very high	97	Very high	57 Å²	57	68.5 Å²	68.5	35%	0.35	33%	0.33	S	S	.	.	H	α-helix	trans	-59.2	-35.1	175.5	-56.1	0	0	0	0	112.4	V168 N169	V168-T172 PolarHBondContact O-N 2.87Å; V168-T172 PolarHBondContact O-OG1 2.93Å; V168-T172 VanDerWaalsContact O-OG1 3.07Å; N169-T172 PolarHBondContact O-N 2.91Å
173	F	97.4	Very high	97	Very high	27 Å²	27	72.3 Å²	72.3	12%	0.118	35%	0.347	C	S	.	.	H	α-helix	trans	-68.4	-45.8	175.5	-172	-87.2	0	0	0	111.4	N169 G170 K171 E175 K176 R177 L193 T194 E197	N169-F173 WeakPolarHBondContact O-CB 3.07Å; N169-F173 PolarHBondContact O-N 3.02Å; G170-F173 PolarHBondContact O-N 2.89Å; K171-F173 PolarHBondContact O-N 3.07Å; F173-E175 PolarHBondContact O-N 3.29Å; F173-K176 PolarHBondContact O-N 3.12Å; F173-R177 HydrophobicContact CD1-CG 4.4Å; F173-R177 HydrophobicContact CE1-CG 4.02Å; F173-R177 HydrophobicContact CZ-CG 4.4Å; F173-R177 PolarHBondContact O-N 3.14Å; F173-L193 HydrophobicContact CE1-CB 3.85Å; F173-L193 HydrophobicContact CZ-CB 3.87Å; F173-L193 HydrophobicContact CZ-CD1 4.5Å; F173-T194 HydrophobicContact CD1-CG2 4.44Å; F173-T194 WeakPolarHBondContact CD1-OG1 3.37Å; F173-E197 HydrophobicContact CB-CG 4.27Å; F173-E197 HydrophobicContact CD2-CG 3.48Å; F173-E197 VanDerWaalsContact CD2-CG 3.48Å; F173-E197 HydrophobicContact CE2-CG 3.87Å; F173-E197 WeakPolarHBondContact CE2-OE1 3.41Å; F173-E197 HydrophobicContact CG-CG 3.85Å
174	L	98.2	Very high	97	Very high	6 Å²	6	72.2 Å²	72.2	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176.7	-70.9	168.8	0	0	0	112.2	V36 I38 A160 A162 G170 K171 K176 R177 Y178 T190 T194	V36-L174 HydrophobicContact CG1-CD1 4.19Å; V36-L174 HydrophobicContact CG1-CD2 4.23Å; I38-L174 HydrophobicContact CD1-CD2 3.48Å; I38-L174 VanDerWaalsContact CD1-CD2 3.48Å; I38-L174 HydrophobicContact CG1-CD2 3.89Å; A160-L174 HydrophobicContact CB-CB 4.43Å; A160-L174 HydrophobicContact CB-CD1 4.19Å; A160-L174 HydrophobicContact CB-CD2 4.32Å; A162-L174 HydrophobicContact CB-CD1 4.15Å; G170-L174 VanDerWaalsContact O-CG 3.29Å; G170-L174 WeakPolarHBondContact O-CG 3.35Å; G170-L174 PolarHBondContact O-N 3.16Å; K171-L174 PolarHBondContact O-N 3.45Å; K171-L174 VanDerWaalsContact O-N 3.14Å; L174-K176 PolarHBondContact O-N 2.71Å; L174-K176 VanDerWaalsContact O-N 3.16Å; L174-R177 PolarHBondContact O-N 2.92Å; L174-Y178 VanDerWaalsContact O-CB 3.22Å; L174-Y178 WeakPolarHBondContact O-CB 3.45Å; L174-Y178 PolarHBondContact O-N 3.22Å; L174-T190 HydrophobicContact CD2-CG2 4.18Å; L174-T194 HydrophobicContact CD1-CG2 4.27Å; L174-T194 HydrophobicContact CD2-CG2 4.21Å; L174-T194 WeakPolarHBondContact CD2-OG1 3.42Å; L174-T194 HydrophobicContact CG-CG2 3.92Å
175	E	97.6	Very high	97	Very high	151 Å²	151	77.3 Å²	77.3	71%	0.706	37%	0.37	S	S	*	.	H	α-helix	trans	-56	-32	177.4	-76.4	174	174.3	0	0	112.9	K171 F173	K171-E175 WeakPolarHBondContact O-CG 3.4Å; K171-E175 PolarHBondContact O-N 3.36Å; F173-E175 PolarHBondContact O-N 3.29Å
176	K	97.1	Very high	97	Very high	164 Å²	164	78 Å²	78	71%	0.713	38%	0.378	S	S	*	.	H	α-helix	trans	-84.3	-16.6	179.8	-64.8	174.8	-175.1	177	0	114	F173 L174	F173-K176 PolarHBondContact O-N 3.12Å; L174-K176 PolarHBondContact O-N 2.71Å; L174-K176 VanDerWaalsContact O-N 3.16Å
177	R	95.7	Very high	97.2	Very high	124 Å²	124	74.1 Å²	74.1	47%	0.468	36%	0.357	S	S	.	.	H	α-helix	trans	-116.7	-22	-171.6	-66.5	-65.3	175	84.5	-0.3	113.6	F173 L174 T190	F173-R177 HydrophobicContact CD1-CG 4.4Å; F173-R177 HydrophobicContact CE1-CG 4.02Å; F173-R177 HydrophobicContact CZ-CG 4.4Å; F173-R177 PolarHBondContact O-N 3.14Å; L174-R177 PolarHBondContact O-N 2.92Å; R177-T190 HydrophobicContact CB-CG2 3.78Å
178	Y	97.2	Very high	97.3	Very high	52 Å²	52	69.4 Å²	69.4	20%	0.204	34%	0.338	C	S	.	.			trans	-74.1	137.6	179.6	-178.5	-94.8	0	0	0	111.9	I38 K39 K159 A160 L174 E180 L182	I38-Y178 HydrophobicContact CG2-CD2 4.07Å; I38-Y178 HydrophobicContact CG2-CE2 4.29Å; K39-Y178 WeakPolarHBondContact O-CE2 3.29Å; K159-Y178 HydrophobicContact CB-CD1 4.46Å; K159-Y178 HydrophobicContact CB-CE1 3.76Å; K159-Y178 HydrophobicContact CB-CE2 4.15Å; K159-Y178 HydrophobicContact CD-CE1 3.59Å; K159-Y178 HydrophobicContact CG-CE1 4.23Å; A160-Y178 HydrophobicContact CB-CD2 4Å; A160-Y178 HydrophobicContact CB-CG 4.43Å; L174-Y178 VanDerWaalsContact O-CB 3.22Å; L174-Y178 WeakPolarHBondContact O-CB 3.45Å; L174-Y178 PolarHBondContact O-N 3.22Å; Y178-E180 HydrophobicContact CE1-CG 4.5Å; Y178-L182 HydrophobicContact CD2-CD2 4.44Å
179	N	96.3	Very high	97.3	Very high	72 Å²	72	68.3 Å²	68.3	39%	0.385	33%	0.328	S	S	.	.			trans	-145.3	165.7	165.1	68.4	84.4	0	0	0	108.9	D181 L182	N179-D181 VanDerWaalsContact C-N 3.32Å; N179-D181 PolarHBondContact O-N 3.05Å; N179-D181 WeakPolarHBondContact OD1-CA 3.08Å; N179-D181 PolarHBondContact OD1-N 3.23Å; N179-L182 WeakPolarHBondContact O-CB 3.3Å; N179-L182 PolarHBondContact OD1-N 2.92Å; N179-L182 VanDerWaalsContact OD1-N 3.16Å
180	E	95	Very high	97.3	Very high	126 Å²	126	64.3 Å²	64.3	59%	0.589	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-22.1	-174.5	-61.8	-167.1	158.5	0	0	113.6	K159 Y178 L182	K159-E180 IonicContact NZ-OE1 3.45Å; K159-E180 PolarHBondContact NZ-OE1 3.29Å; Y178-E180 HydrophobicContact CE1-CG 4.5Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 3.42Å
181	D	96.1	Very high	97.3	Very high	137 Å²	137	64 Å²	64	73%	0.733	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	6.6	-179.6	-53.7	-48.8	0	0	0	112.5	N179 E183	N179-D181 VanDerWaalsContact C-N 3.32Å; N179-D181 PolarHBondContact O-N 3.05Å; N179-D181 WeakPolarHBondContact OD1-CA 3.08Å; N179-D181 PolarHBondContact OD1-N 3.23Å; D181-E183 PolarHBondContact O-N 3.08Å
182	L	96.3	Very high	97.3	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.063	29%	0.292	C	S	.	.			trans	-62.9	122.6	-178.8	-164.8	75.1	0	0	0	109.9	I38 A40 A41 Y178 N179 E180 D186 A187	I38-L182 HydrophobicContact CG2-CD2 3.74Å; A40-L182 CarbonylContact C-O 3.53Å; A40-L182 WeakPolarHBondContact CA-O 3.24Å; A40-L182 WeakPolarHBondContact CB-O 3.23Å; A41-L182 PolarHBondContact N-O 3.41Å; Y178-L182 HydrophobicContact CD2-CD2 4.44Å; N179-L182 WeakPolarHBondContact O-CB 3.3Å; N179-L182 PolarHBondContact OD1-N 2.92Å; N179-L182 VanDerWaalsContact OD1-N 3.16Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 3.42Å; L182-D186 HydrophobicContact CD1-CB 3.61Å; L182-D186 HydrophobicContact CG-CB 4.17Å; L182-A187 HydrophobicContact CD2-CB 3.71Å; L182-A187 HydrophobicContact CG-CB 4.17Å
183	E	97.9	Very high	97.3	Very high	84 Å²	84	60.2 Å²	60.2	39%	0.393	28%	0.283	S	S	.	.			trans	-84.5	161.2	174.8	-70.2	-67.3	134.2	0	0	111.1	N42 D181 E185 D186 A187	N42-E183 PolarHBondContact ND2-OE2 3.18Å; N42-E183 PolarHBondContact OD1-OE2 2.93Å; D181-E183 PolarHBondContact O-N 3.08Å; E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.11Å; E183-D186 PolarHBondContact O-N 2.82Å; E183-A187 WeakPolarHBondContact O-CB 3.27Å; E183-A187 PolarHBondContact O-N 3.18Å
184	L	98.2	Very high	97.3	Very high	6 Å²	6	59 Å²	59	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-39.9	-173.3	-178.3	59.3	0	0	0	112.8	A40 N42 V45 A187 I188 I212 N214	A40-L184 HydrophobicContact CB-CB 4.41Å; N42-L184 VanDerWaalsContact OD1-CB 3.28Å; N42-L184 WeakPolarHBondContact OD1-CB 3.27Å; N42-L184 PolarHBondContact OD1-N 3.25Å; V45-L184 HydrophobicContact CB-CD1 4.43Å; L184-A187 WeakPolarHBondContact O-CB 3.37Å; L184-A187 PolarHBondContact O-N 2.96Å; L184-I188 HydrophobicContact CD1-CD1 4.47Å; L184-I188 HydrophobicContact CD1-CG1 4.47Å; L184-I188 HydrophobicContact CG-CD1 4.17Å; L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 VanDerWaalsContact O-CG1 3.24Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 2.92Å; L184-I212 HydrophobicContact CD1-CB 4.44Å; L184-I212 HydrophobicContact CD1-CG2 4.29Å; L184-I212 HydrophobicContact CD2-CB 4.42Å; L184-I212 HydrophobicContact CD2-CD1 4.23Å; L184-N214 HydrophobicContact CD2-CB 4.25Å
185	E	97.5	Very high	97.2	Very high	108 Å²	108	58.8 Å²	58.8	51%	0.505	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-47.8	177.7	-64.4	-59.1	140.1	0	0	111.8	E183 A187 I188 H189 Y229	E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.11Å; E185-A187 VanDerWaalsContact C-N 3.32Å; E185-A187 PolarHBondContact O-N 3.47Å; E185-I188 PolarHBondContact O-N 2.84Å; E185-H189 PolarHBondContact O-N 3.44Å; E185-H189 VanDerWaalsContact O-N 3.11Å; E185-Y229 PolarHBondContact OE1-OH 3.02Å; E185-Y229 VanDerWaalsContact OE2-CE1 3.27Å; E185-Y229 WeakPolarHBondContact OE2-CE1 3.48Å; E185-Y229 VanDerWaalsContact OE2-CZ 3.24Å; E185-Y229 PolarHBondContact OE2-OH 3.27Å
186	D	97.3	Very high	97	Very high	92 Å²	92	56.6 Å²	56.6	49%	0.492	27%	0.265	S	S	.	.	H	α-helix	trans	-68.3	-33.2	177.3	-63.7	-46.1	0	0	0	112	L182 E183 H189 T190	L182-D186 HydrophobicContact CD1-CB 3.61Å; L182-D186 HydrophobicContact CG-CB 4.17Å; E183-D186 PolarHBondContact O-N 2.82Å; D186-H189 PolarHBondContact O-N 3.26Å; D186-T190 WeakPolarHBondContact O-CB 3.38Å; D186-T190 PolarHBondContact O-N 2.84Å; D186-T190 PolarHBondContact O-OG1 2.84Å
187	A	98.4	Very high	96.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-41.5	173.7	0	0	0	0	0	111.6	I38 A40 V45 L182 E183 L184 E185 T190 A191	I38-A187 HydrophobicContact CB-CB 4.32Å; I38-A187 HydrophobicContact CG2-CB 4.04Å; A40-A187 HydrophobicContact CB-CB 3.97Å; V45-A187 HydrophobicContact CG1-CB 3.92Å; L182-A187 HydrophobicContact CD2-CB 3.71Å; L182-A187 HydrophobicContact CG-CB 4.17Å; E183-A187 WeakPolarHBondContact O-CB 3.27Å; E183-A187 PolarHBondContact O-N 3.18Å; L184-A187 WeakPolarHBondContact O-CB 3.37Å; L184-A187 PolarHBondContact O-N 2.96Å; E185-A187 VanDerWaalsContact C-N 3.32Å; E185-A187 PolarHBondContact O-N 3.47Å; A187-T190 PolarHBondContact O-N 3.38Å; A187-A191 WeakPolarHBondContact O-CB 3.41Å; A187-A191 PolarHBondContact O-N 2.86Å
188	I	98.5	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-48.3	175	-65.6	158	0	0	0	110	V45 L184 E185 T190 A191 I192 V210 I212 L221 Y229	V45-I188 HydrophobicContact CB-CG1 4.04Å; V45-I188 HydrophobicContact CG2-CB 4.44Å; V45-I188 HydrophobicContact CG2-CG1 3.8Å; L184-I188 HydrophobicContact CD1-CD1 4.47Å; L184-I188 HydrophobicContact CD1-CG1 4.47Å; L184-I188 HydrophobicContact CG-CD1 4.17Å; L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 VanDerWaalsContact O-CG1 3.24Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 2.92Å; E185-I188 PolarHBondContact O-N 2.84Å; I188-T190 VanDerWaalsContact C-N 3.34Å; I188-T190 PolarHBondContact O-N 2.97Å; I188-A191 PolarHBondContact O-N 2.63Å; I188-I192 HydrophobicContact CG2-CD1 3.93Å; I188-I192 WeakPolarHBondContact O-CG1 3.49Å; I188-I192 PolarHBondContact O-N 3.39Å; I188-V210 HydrophobicContact CG2-CG1 4.38Å; I188-I212 HydrophobicContact CD1-CG2 3.81Å; I188-I212 HydrophobicContact CG1-CG2 3.99Å; I188-L221 HydrophobicContact CD1-CD1 4.48Å; I188-L221 HydrophobicContact CG2-CD1 4.31Å; I188-Y229 HydrophobicContact CB-CD1 4.38Å; I188-Y229 HydrophobicContact CB-CE1 4.02Å; I188-Y229 HydrophobicContact CD1-CE1 4.24Å; I188-Y229 HydrophobicContact CD1-CE2 4.17Å; I188-Y229 VanDerWaalsContact CD1-OH 3.22Å; I188-Y229 WeakPolarHBondContact CD1-OH 3.05Å; I188-Y229 HydrophobicContact CG2-CD1 3.76Å; I188-Y229 HydrophobicContact CG2-CD2 3.77Å; I188-Y229 HydrophobicContact CG2-CE1 3.76Å; I188-Y229 HydrophobicContact CG2-CE2 3.79Å; I188-Y229 HydrophobicContact CG2-CG 3.78Å
189	H	97.2	Very high	96	Very high	58 Å²	58	47.9 Å²	47.9	27%	0.269	24%	0.236	S	C	.	.	H	α-helix	trans	-57.6	-47	176.9	-171.8	99.4	0	0	0	111.7	E185 D186 A191 I192 L193 I233	E185-H189 PolarHBondContact O-N 3.44Å; E185-H189 VanDerWaalsContact O-N 3.11Å; D186-H189 PolarHBondContact O-N 3.26Å; H189-A191 VanDerWaalsContact C-N 3.35Å; H189-A191 PolarHBondContact O-N 3.12Å; H189-I192 PolarHBondContact O-N 2.78Å; H189-L193 VanDerWaalsContact CD2-CD1 3.45Å; H189-L193 WeakPolarHBondContact CD2-CD1 3.41Å; H189-L193 WeakPolarHBondContact NE2-CD1 3.31Å; H189-L193 WeakPolarHBondContact O-CG 3.38Å; H189-L193 PolarHBondContact O-N 3.04Å; H189-I233 WeakPolarHBondContact CE1-CG1 3.43Å; H189-I233 WeakPolarHBondContact ND1-CG1 3.27Å
190	T	97.7	Very high	95.6	Very high	13 Å²	13	49.6 Å²	49.6	8%	0.08	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-39	178.2	-58.8	0	0	0	0	112.1	I38 L174 R177 D186 A187 I188 L193 T194	I38-T190 HydrophobicContact CD1-CG2 3.73Å; L174-T190 HydrophobicContact CD2-CG2 4.18Å; R177-T190 HydrophobicContact CB-CG2 3.78Å; D186-T190 WeakPolarHBondContact O-CB 3.38Å; D186-T190 PolarHBondContact O-N 2.84Å; D186-T190 PolarHBondContact O-OG1 2.84Å; A187-T190 PolarHBondContact O-N 3.38Å; I188-T190 VanDerWaalsContact C-N 3.34Å; I188-T190 PolarHBondContact O-N 2.97Å; T190-L193 PolarHBondContact O-N 3.31Å; T190-T194 WeakPolarHBondContact O-CB 3.47Å; T190-T194 PolarHBondContact O-N 2.92Å; T190-T194 PolarHBondContact O-OG1 3.14Å
191	A	98.3	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-42.5	178.1	0	0	0	0	0	111.8	V36 I38 V45 A47 A187 I188 H189 T194 L195	V36-A191 HydrophobicContact CG1-CB 4.09Å; I38-A191 HydrophobicContact CD1-CB 3.85Å; I38-A191 HydrophobicContact CG1-CB 4.35Å; V45-A191 HydrophobicContact CG1-CB 3.95Å; V45-A191 HydrophobicContact CG2-CB 4.32Å; A47-A191 HydrophobicContact CB-CB 3.92Å; A187-A191 WeakPolarHBondContact O-CB 3.41Å; A187-A191 PolarHBondContact O-N 2.86Å; I188-A191 PolarHBondContact O-N 2.63Å; H189-A191 VanDerWaalsContact C-N 3.35Å; H189-A191 PolarHBondContact O-N 3.12Å; A191-T194 WeakPolarHBondContact O-CB 3.31Å; A191-T194 PolarHBondContact O-N 3.16Å; A191-L195 PolarHBondContact O-N 3.04Å
192	I	97.8	Very high	95.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-43.6	177.4	-63.3	168.8	0	0	0	110.8	I188 H189 T194 L195 K196 M203 I208 V210 Y229 L230 I233	I188-I192 HydrophobicContact CG2-CD1 3.93Å; I188-I192 WeakPolarHBondContact O-CG1 3.49Å; I188-I192 PolarHBondContact O-N 3.39Å; H189-I192 PolarHBondContact O-N 2.78Å; I192-T194 VanDerWaalsContact C-N 3.27Å; I192-T194 PolarHBondContact O-N 3.46Å; I192-L195 WeakPolarHBondContact O-CB 3.43Å; I192-L195 PolarHBondContact O-N 3Å; I192-L195 VanDerWaalsContact O-N 3.16Å; I192-K196 PolarHBondContact O-N 2.95Å; I192-M203 HydrophobicContact CG2-SD 3.52Å; I192-M203 VanDerWaalsContact CG2-SD 3.52Å; I192-I208 HydrophobicContact CG1-CD1 4.33Å; I192-I208 HydrophobicContact CG2-CD1 4.35Å; I192-V210 HydrophobicContact CG1-CG2 4.49Å; I192-Y229 HydrophobicContact CD1-CG 4.24Å; I192-L230 HydrophobicContact CG2-CD2 3.77Å; I192-I233 HydrophobicContact CB-CD1 3.58Å; I192-I233 HydrophobicContact CD1-CD1 4.16Å; I192-I233 HydrophobicContact CG1-CD1 4.48Å; I192-I233 HydrophobicContact CG2-CD1 3.34Å
193	L	96.9	Very high	95	Very high	31 Å²	31	49 Å²	49	16%	0.162	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-41.1	172.7	-75.9	179.1	0	0	0	112.1	F173 H189 T190 L195 K196 E197 I233	F173-L193 HydrophobicContact CE1-CB 3.85Å; F173-L193 HydrophobicContact CZ-CB 3.87Å; F173-L193 HydrophobicContact CZ-CD1 4.5Å; H189-L193 VanDerWaalsContact CD2-CD1 3.45Å; H189-L193 WeakPolarHBondContact CD2-CD1 3.41Å; H189-L193 WeakPolarHBondContact NE2-CD1 3.31Å; H189-L193 WeakPolarHBondContact O-CG 3.38Å; H189-L193 PolarHBondContact O-N 3.04Å; T190-L193 PolarHBondContact O-N 3.31Å; L193-L195 VanDerWaalsContact C-N 3.33Å; L193-L195 PolarHBondContact O-N 3.29Å; L193-K196 VanDerWaalsContact O-CB 3.3Å; L193-K196 WeakPolarHBondContact O-CB 3.13Å; L193-K196 PolarHBondContact O-N 2.87Å; L193-K196 VanDerWaalsContact O-N 3.12Å; L193-E197 PolarHBondContact O-N 3.43Å; L193-I233 HydrophobicContact CD2-CG2 3.61Å; L193-I233 HydrophobicContact CG-CG2 4.48Å
194	T	97.4	Very high	94.8	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-39.4	177.3	-55.1	0	0	0	0	111.6	V36 F173 L174 T190 A191 I192 K196	V36-T194 HydrophobicContact CG1-CG2 4.24Å; V36-T194 HydrophobicContact CG2-CG2 3.64Å; F173-T194 HydrophobicContact CD1-CG2 4.44Å; F173-T194 WeakPolarHBondContact CD1-OG1 3.37Å; L174-T194 HydrophobicContact CD1-CG2 4.27Å; L174-T194 HydrophobicContact CD2-CG2 4.21Å; L174-T194 WeakPolarHBondContact CD2-OG1 3.42Å; L174-T194 HydrophobicContact CG-CG2 3.92Å; T190-T194 WeakPolarHBondContact O-CB 3.47Å; T190-T194 PolarHBondContact O-N 2.92Å; T190-T194 PolarHBondContact O-OG1 3.14Å; A191-T194 WeakPolarHBondContact O-CB 3.31Å; A191-T194 PolarHBondContact O-N 3.16Å; I192-T194 VanDerWaalsContact C-N 3.27Å; I192-T194 PolarHBondContact O-N 3.46Å; T194-K196 VanDerWaalsContact C-N 3.32Å
195	L	96.8	Very high	94.6	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-40.5	173.1	-69	178.2	0	0	0	111.4	P34 V36 A47 A191 I192 L193 E197 S198 F199 M203 I208	P34-L195 HydrophobicContact CB-CD2 4.01Å; P34-L195 HydrophobicContact CG-CD2 4.19Å; V36-L195 HydrophobicContact CG2-CD2 3.76Å; V36-L195 HydrophobicContact CG2-CG 4.16Å; A47-L195 HydrophobicContact CB-CD1 3.74Å; A47-L195 HydrophobicContact CB-CG 4.48Å; A191-L195 PolarHBondContact O-N 3.04Å; I192-L195 WeakPolarHBondContact O-CB 3.43Å; I192-L195 PolarHBondContact O-N 3Å; I192-L195 VanDerWaalsContact O-N 3.16Å; L193-L195 VanDerWaalsContact C-N 3.33Å; L193-L195 PolarHBondContact O-N 3.29Å; L195-E197 PolarHBondContact O-N 3.35Å; L195-S198 PolarHBondContact O-N 2.87Å; L195-S198 PolarHBondContact O-OG 3.22Å; L195-F199 PolarHBondContact O-N 2.69Å; L195-F199 VanDerWaalsContact O-N 3.14Å; L195-M203 HydrophobicContact CB-CE 3.83Å; L195-I208 HydrophobicContact CD1-CG2 4.32Å
196	K	94.3	Very high	94.3	Very high	104 Å²	104	46.5 Å²	46.5	45%	0.452	25%	0.247	S	C	.	.	H	α-helix	trans	-58	-32.5	-178.5	-163.2	175.1	-179.5	177.3	0	112.6	I192 L193 T194 S198 F199 M203 I233	I192-K196 PolarHBondContact O-N 2.95Å; L193-K196 VanDerWaalsContact O-CB 3.3Å; L193-K196 WeakPolarHBondContact O-CB 3.13Å; L193-K196 PolarHBondContact O-N 2.87Å; L193-K196 VanDerWaalsContact O-N 3.12Å; T194-K196 VanDerWaalsContact C-N 3.32Å; K196-S198 PolarHBondContact O-N 2.76Å; K196-S198 VanDerWaalsContact O-N 3.08Å; K196-F199 PolarHBondContact O-N 3.45Å; K196-M203 HydrophobicContact CB-CE 4.03Å; K196-I233 HydrophobicContact CD-CG2 4.29Å
197	E	91	Very high	94.1	Very high	111 Å²	111	43.1 Å²	43.1	52%	0.519	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.1	175.9	-66.4	-65.2	109.6	0	0	114	F173 L193 L195	F173-E197 HydrophobicContact CB-CG 4.27Å; F173-E197 HydrophobicContact CD2-CG 3.48Å; F173-E197 VanDerWaalsContact CD2-CG 3.48Å; F173-E197 HydrophobicContact CE2-CG 3.87Å; F173-E197 WeakPolarHBondContact CE2-OE1 3.41Å; F173-E197 HydrophobicContact CG-CG 3.85Å; L193-E197 PolarHBondContact O-N 3.43Å; L195-E197 PolarHBondContact O-N 3.35Å
198	S	84.5	Confident	93.9	Very high	19 Å²	19	43.4 Å²	43.4	13%	0.133	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	5.6	-178.6	64.2	0	0	0	0	113.7	L195 K196	L195-S198 PolarHBondContact O-N 2.87Å; L195-S198 PolarHBondContact O-OG 3.22Å; K196-S198 PolarHBondContact O-N 2.76Å; K196-S198 VanDerWaalsContact O-N 3.08Å
199	F	92	Very high	93.9	Very high	27 Å²	27	44.1 Å²	44.1	12%	0.118	23%	0.234	C	C	.	.			trans	-79.7	131	-173.6	-157.9	-86.8	0	0	0	110.9	E49 L195 K196 M203 N207 I208	E49-F199 HydrophobicContact CB-CE2 4.27Å; E49-F199 HydrophobicContact CG-CD2 4.27Å; E49-F199 HydrophobicContact CG-CE2 3.73Å; L195-F199 PolarHBondContact O-N 2.69Å; L195-F199 VanDerWaalsContact O-N 3.14Å; K196-F199 PolarHBondContact O-N 3.45Å; F199-M203 HydrophobicContact CB-CE 3.85Å; F199-M203 HydrophobicContact CD1-CB 4.09Å; F199-M203 HydrophobicContact CD1-CE 4.41Å; F199-M203 HydrophobicContact CD2-CE 3.43Å; F199-M203 VanDerWaalsContact CD2-CE 3.43Å; F199-M203 HydrophobicContact CD2-CG 4.45Å; F199-M203 HydrophobicContact CE1-CB 4.04Å; F199-M203 HydrophobicContact CE2-CE 4.07Å; F199-M203 HydrophobicContact CE2-CG 4.24Å; F199-M203 HydrophobicContact CG-CB 4.43Å; F199-M203 HydrophobicContact CG-CE 3.63Å; F199-M203 HydrophobicContact CZ-CB 4.32Å; F199-M203 HydrophobicContact CZ-CG 4.31Å; F199-N207 HydrophobicContact CZ-CB 4.24Å; F199-N207 VanDerWaalsContact CZ-CG 3.43Å; F199-N207 VanDerWaalsContact CZ-OD1 3.24Å; F199-N207 WeakPolarHBondContact CZ-OD1 3.39Å; F199-I208 HydrophobicContact CD2-CG2 4.46Å; F199-I208 HydrophobicContact CE2-CG2 3.79Å
200	E	88.8	Confident	93.9	Very high	108 Å²	108	41.5 Å²	41.5	51%	0.505	22%	0.221	S	C	.	.			trans	-97.2	117.8	177.7	-70.7	165.8	179.5	0	0	109.7	K51 K165	K51-E200 IonicContact NZ-OE2 2.82Å; K51-E200 PolarHBondContact NZ-OE2 3.45Å; K165-E200 IonicContact NZ-OE1 2.64Å; K165-E200 PolarHBondContact NZ-OE1 2.85Å
201	G	90.1	Very high	94	Very high	73 Å²	73	40.9 Å²	40.9	75%	0.753	22%	0.218	S	C	*	.	S	Bend	trans	88.6	-159.4	-179.2	0	0	0	0	0	113.3
202	Q	91.6	Very high	94	Very high	164 Å²	164	41.1 Å²	41.1	77%	0.766	22%	0.219	S	C	*	.			trans	-85.1	126.1	-179.1	-175.2	176	5.1	0	0	110.7	T204 N207	Q202-T204 HydrophobicContact CG-CG2 4.25Å; Q202-N207 PolarHBondContact O-ND2 2.64Å
203	M	93.9	Very high	94	Very high	26 Å²	26	41.1 Å²	41.1	13%	0.128	22%	0.219	C	C	.	.			trans	-75.9	131.2	171.5	-167.4	178.7	-75.3	0	0	109.9	I192 L195 K196 F199 I208 L230	I192-M203 HydrophobicContact CG2-SD 3.52Å; I192-M203 VanDerWaalsContact CG2-SD 3.52Å; L195-M203 HydrophobicContact CB-CE 3.83Å; K196-M203 HydrophobicContact CB-CE 4.03Å; F199-M203 HydrophobicContact CB-CE 3.85Å; F199-M203 HydrophobicContact CD1-CB 4.09Å; F199-M203 HydrophobicContact CD1-CE 4.41Å; F199-M203 HydrophobicContact CD2-CE 3.43Å; F199-M203 VanDerWaalsContact CD2-CE 3.43Å; F199-M203 HydrophobicContact CD2-CG 4.45Å; F199-M203 HydrophobicContact CE1-CB 4.04Å; F199-M203 HydrophobicContact CE2-CE 4.07Å; F199-M203 HydrophobicContact CE2-CG 4.24Å; F199-M203 HydrophobicContact CG-CB 4.43Å; F199-M203 HydrophobicContact CG-CE 3.63Å; F199-M203 HydrophobicContact CZ-CB 4.32Å; F199-M203 HydrophobicContact CZ-CG 4.31Å; M203-I208 HydrophobicContact CE-CG2 4.21Å; M203-I208 HydrophobicContact CG-CD1 4.18Å; M203-I208 HydrophobicContact CG-CG1 4.43Å; M203-I208 HydrophobicContact CG-CG2 3.73Å; M203-I208 HydrophobicContact SD-CD1 3.97Å; M203-I208 HydrophobicContact SD-CG2 4.01Å; M203-L230 HydrophobicContact CB-CD2 4.26Å; M203-L230 HydrophobicContact CG-CD2 3.71Å; M203-L230 HydrophobicContact SD-CD2 3.55Å; M203-L230 VanDerWaalsContact SD-CD2 3.55Å
204	T	93.5	Very high	94.1	Very high	35 Å²	35	41.7 Å²	41.7	22%	0.215	22%	0.222	C	C	.	.			trans	-136.4	166.6	-178.9	70.5	0	0	0	0	110.2	Q202 D206 N207 L230	Q202-T204 HydrophobicContact CG-CG2 4.25Å; T204-D206 PolarHBondContact O-N 2.81Å; T204-D206 VanDerWaalsContact O-N 3.08Å; T204-D206 PolarHBondContact OG1-N 3.42Å; T204-N207 PolarHBondContact N-ND2 3.17Å; T204-N207 PolarHBondContact N-OD1 3.27Å; T204-N207 PolarHBondContact O-N 3.24Å; T204-N207 PolarHBondContact O-OD1 2.9Å; T204-N207 PolarHBondContact OG1-ND2 3.15Å; T204-L230 VanDerWaalsContact C-CD1 3.41Å
205	E	92.9	Very high	94.1	Very high	45 Å²	45	49.4 Å²	49.4	21%	0.21	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.4	177.8	59.9	-91.9	-133.9	0	0	114.2	P223 V226 K227	E205-P223 HydrophobicContact CB-CB 4.19Å; E205-P223 VanDerWaalsContact CB-O 3.26Å; E205-P223 WeakPolarHBondContact CB-O 3.41Å; E205-P223 HydrophobicContact CG-CB 4.22Å; E205-V226 HydrophobicContact CB-CB 4.38Å; E205-V226 HydrophobicContact CB-CG1 4.33Å; E205-K227 HydrophobicContact CB-CB 4.15Å; E205-K227 WeakPolarHBondContact OE1-CD 3.39Å; E205-K227 IonicContact OE1-NZ 3.56Å; E205-K227 PolarHBondContact OE1-NZ 3.22Å
206	D	90.8	Very high	94.2	Very high	65 Å²	65	54.1 Å²	54.1	35%	0.348	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-7.2	-174.8	-49.3	-56.9	0	0	0	113.9	Q52 T204	Q52-D206 PolarHBondContact NE2-O 3.28Å; T204-D206 PolarHBondContact O-N 2.81Å; T204-D206 VanDerWaalsContact O-N 3.08Å; T204-D206 PolarHBondContact OG1-N 3.42Å
207	N	93	Very high	94.3	Very high	22 Å²	22	49.7 Å²	49.7	12%	0.118	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	3.2	-177.1	71.5	23.2	0	0	0	114.5	K50 F199 Q202 T204	K50-N207 CarbonylContact C-O 3.58Å; K50-N207 WeakPolarHBondContact CA-O 3.47Å; K50-N207 PolarHBondContact N-O 2.82Å; K50-N207 CarbonylContact O-C 3.52Å; K50-N207 VanDerWaalsContact O-CA 3.29Å; K50-N207 WeakPolarHBondContact O-CA 3.41Å; F199-N207 HydrophobicContact CZ-CB 4.24Å; F199-N207 VanDerWaalsContact CZ-CG 3.43Å; F199-N207 VanDerWaalsContact CZ-OD1 3.24Å; F199-N207 WeakPolarHBondContact CZ-OD1 3.39Å; Q202-N207 PolarHBondContact O-ND2 2.64Å; T204-N207 PolarHBondContact N-ND2 3.17Å; T204-N207 PolarHBondContact N-OD1 3.27Å; T204-N207 PolarHBondContact O-N 3.24Å; T204-N207 PolarHBondContact O-OD1 2.9Å; T204-N207 PolarHBondContact OG1-ND2 3.15Å
208	I	95.6	Very high	94.7	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.4	164.4	60.7	167.1	0	0	0	109.5	T48 I192 L195 F199 M203 V210 V226 L230	T48-I208 CarbonylContact O-C 3.54Å; T48-I208 VanDerWaalsContact O-CA 3.3Å; T48-I208 WeakPolarHBondContact O-CA 3.43Å; I192-I208 HydrophobicContact CG1-CD1 4.33Å; I192-I208 HydrophobicContact CG2-CD1 4.35Å; L195-I208 HydrophobicContact CD1-CG2 4.32Å; F199-I208 HydrophobicContact CD2-CG2 4.46Å; F199-I208 HydrophobicContact CE2-CG2 3.79Å; M203-I208 HydrophobicContact CE-CG2 4.21Å; M203-I208 HydrophobicContact CG-CD1 4.18Å; M203-I208 HydrophobicContact CG-CG1 4.43Å; M203-I208 HydrophobicContact CG-CG2 3.73Å; M203-I208 HydrophobicContact SD-CD1 3.97Å; M203-I208 HydrophobicContact SD-CG2 4.01Å; I208-V210 HydrophobicContact CD1-CG2 4.36Å; I208-V226 HydrophobicContact CD1-CG1 3.57Å; I208-V226 HydrophobicContact CG1-CG1 3.71Å; I208-L230 HydrophobicContact CD1-CD1 4.4Å; I208-L230 HydrophobicContact CD1-CD2 4.18Å; I208-L230 HydrophobicContact CD1-CG 4.47Å
209	E	97	Very high	95.4	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.075	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.2	172	-169.8	170.7	-151.3	0	0	108.9	A47 T48 H63 K64 V65 R220	A47-E209 CarbonylContact C-O 3.58Å; A47-E209 WeakPolarHBondContact CA-O 3.48Å; T48-E209 HydrophobicContact CG2-CB 4.14Å; T48-E209 PolarHBondContact N-O 3.24Å; T48-E209 PolarHBondContact O-N 2.88Å; H63-E209 WeakPolarHBondContact CB-OE1 3.49Å; H63-E209 IonicContact CE1-OE1 2.69Å; H63-E209 IonicContact CG-OE1 2.78Å; H63-E209 IonicContact ND1-OE1 2.76Å; H63-E209 PolarHBondContact ND1-OE1 2.61Å; K64-E209 PolarHBondContact N-OE2 3.4Å; V65-E209 HydrophobicContact CB-CG 3.92Å; V65-E209 HydrophobicContact CG2-CB 4.07Å; V65-E209 HydrophobicContact CG2-CG 3.79Å; V65-E209 PolarHBondContact N-OE2 2.95Å; E209-R220 WeakPolarHBondContact OE1-CD 3.35Å
210	V	98.4	Very high	95.6	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132	-177.5	-174.4	0	0	0	0	109.1	V45 L46 A47 I188 I192 I208 R220 L221 V226	V45-V210 HydrophobicContact CG2-CG1 3.63Å; L46-V210 CarbonylContact O-C 3.52Å; L46-V210 WeakPolarHBondContact O-CA 3.36Å; A47-V210 HydrophobicContact CB-CG2 4.18Å; I188-V210 HydrophobicContact CG2-CG1 4.38Å; I192-V210 HydrophobicContact CG1-CG2 4.49Å; I208-V210 HydrophobicContact CD1-CG2 4.36Å; V210-R220 WeakPolarHBondContact O-CA 3.46Å; V210-L221 HydrophobicContact CB-CB 4.35Å; V210-L221 HydrophobicContact CB-CD1 3.9Å; V210-L221 HydrophobicContact CB-CG 4.14Å; V210-L221 HydrophobicContact CG1-CD1 3.61Å; V210-L221 HydrophobicContact CG1-CG 4.03Å; V210-L221 PolarHBondContact O-N 3.08Å; V210-V226 HydrophobicContact CB-CG2 4.39Å; V210-V226 HydrophobicContact CG2-CG2 4.3Å
211	G	98.7	Very high	96.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.8	170.2	0	0	0	0	0	110.9	V45 L46 R219	V45-G211 CarbonylContact C-O 3.45Å; V45-G211 WeakPolarHBondContact CA-O 3.22Å; L46-G211 PolarHBondContact N-O 3.25Å; L46-G211 PolarHBondContact O-N 3.14Å; G211-R219 CarbonylContact C-O 3.55Å; G211-R219 VanDerWaalsContact CA-O 3.29Å; G211-R219 WeakPolarHBondContact CA-O 3.46Å
212	I	98.8	Very high	96.4	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.9	179.4	61.9	165.7	0	0	0	109.9	V44 V45 L184 I188 F218 R219 L221	V44-I212 CarbonylContact O-C 3.55Å; V44-I212 VanDerWaalsContact O-CA 3.31Å; V44-I212 WeakPolarHBondContact O-CA 3.35Å; V45-I212 HydrophobicContact CB-CG2 4.42Å; V45-I212 HydrophobicContact CG2-CG2 4.27Å; L184-I212 HydrophobicContact CD1-CB 4.44Å; L184-I212 HydrophobicContact CD1-CG2 4.29Å; L184-I212 HydrophobicContact CD2-CB 4.42Å; L184-I212 HydrophobicContact CD2-CD1 4.23Å; I188-I212 HydrophobicContact CD1-CG2 3.81Å; I188-I212 HydrophobicContact CG1-CG2 3.99Å; I212-F218 WeakPolarHBondContact O-CA 3.46Å; I212-F218 WeakPolarHBondContact O-CD2 3.46Å; I212-R219 HydrophobicContact CD1-CG 4.39Å; I212-R219 HydrophobicContact CG1-CG 3.91Å; I212-R219 PolarHBondContact N-O 3.22Å; I212-R219 PolarHBondContact O-N 2.88Å; I212-L221 HydrophobicContact CD1-CD2 3.87Å; I212-L221 HydrophobicContact CG1-CD2 3.99Å; I212-L221 HydrophobicContact CG2-CD2 4.14Å; I212-L221 HydrophobicContact CG2-CG 4.34Å
213	C	98.7	Very high	96.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.6	170.9	-154.5	0	0	0	0	109.8	G43 V44 H71 W139 G217 F218	G43-C213 CarbonylContact C-O 3.58Å; G43-C213 WeakPolarHBondContact CA-O 3.12Å; V44-C213 PolarHBondContact N-O 3.49Å; V44-C213 PolarHBondContact O-N 3.39Å; H71-C213 PolarHBondContact O-SG 3.03Å; H71-C213 VanDerWaalsContact O-SG 3.33Å; W139-C213 PolarHBondContact N-SG 3.3Å; C213-G217 WeakPolarHBondContact CA-O 3.34Å; C213-F218 HydrophobicContact CB-CB 4.47Å; C213-F218 HydrophobicContact CB-CD2 3.87Å
214	N	98.4	Very high	96.7	Very high	43 Å²	43	46.5 Å²	46.5	23%	0.23	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	-162	171.2	63.3	13	0	0	0	109.5	N42 W139 L184 A216 G217	N42-N214 VanDerWaalsContact O-CB 3.28Å; N42-N214 WeakPolarHBondContact O-CB 3.33Å; W139-N214 VanDerWaalsContact CB-O 3.32Å; W139-N214 WeakPolarHBondContact CB-O 3.48Å; W139-N214 VanDerWaalsContact CG-C 3.5Å; L184-N214 HydrophobicContact CD2-CB 4.25Å; N214-A216 PolarHBondContact O-N 3.03Å; N214-A216 WeakPolarHBondContact OD1-CB 3.29Å; N214-A216 PolarHBondContact OD1-N 3.29Å; N214-G217 PolarHBondContact N-O 2.99Å; N214-G217 VanDerWaalsContact N-O 3.17Å; N214-G217 WeakPolarHBondContact O-CA 3.3Å; N214-G217 PolarHBondContact O-N 3.29Å
215	E	97.7	Very high	96.9	Very high	166 Å²	166	47.2 Å²	47.2	78%	0.776	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.5	178.3	-171.2	173.2	-159.2	0	0	113.9	W139 G217	W139-E215 HydrophobicContact CZ2-CB 4.05Å; E215-G217 PolarHBondContact O-N 3.07Å
216	A	97.8	Very high	97.1	Very high	100 Å²	100	45.3 Å²	45.3	83%	0.826	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.7	175.9	0	0	0	0	0	113.4	N214	N214-A216 PolarHBondContact O-N 3.03Å; N214-A216 WeakPolarHBondContact OD1-CB 3.29Å; N214-A216 PolarHBondContact OD1-N 3.29Å
217	G	98.1	Very high	97.4	Very high	11 Å²	11	47.3 Å²	47.3	11%	0.113	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	103.2	-166.8	-178.3	0	0	0	0	0	113.3	K70 C213 N214 E215	K70-G217 CarbonylContact O-C 3.45Å; K70-G217 WeakPolarHBondContact O-CA 3.16Å; C213-G217 WeakPolarHBondContact CA-O 3.34Å; N214-G217 PolarHBondContact N-O 2.99Å; N214-G217 VanDerWaalsContact N-O 3.17Å; N214-G217 WeakPolarHBondContact O-CA 3.3Å; N214-G217 PolarHBondContact O-N 3.29Å; E215-G217 PolarHBondContact O-N 3.07Å
218	F	98.7	Very high	97.6	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.6	179.6	-176.6	-96	0	0	0	111.4	L46 V65 P67 K70 I212 C213	L46-F218 HydrophobicContact CD1-CE2 4.31Å; V65-F218 HydrophobicContact CG1-CE1 4.26Å; V65-F218 HydrophobicContact CG1-CZ 3.56Å; P67-F218 HydrophobicContact CB-CD1 3.82Å; P67-F218 HydrophobicContact CB-CE1 4.23Å; K70-F218 PolarHBondContact O-N 3.43Å; I212-F218 WeakPolarHBondContact O-CA 3.46Å; I212-F218 WeakPolarHBondContact O-CD2 3.46Å; C213-F218 HydrophobicContact CB-CB 4.47Å; C213-F218 HydrophobicContact CB-CD2 3.87Å
219	R	98.3	Very high	97.7	Very high	114 Å²	114	52.7 Å²	52.7	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.4	170.5	67.5	179.6	-174.5	90.7	-4.5	111.5	G211 I212 E225	G211-R219 CarbonylContact C-O 3.55Å; G211-R219 VanDerWaalsContact CA-O 3.29Å; G211-R219 WeakPolarHBondContact CA-O 3.46Å; I212-R219 HydrophobicContact CD1-CG 4.39Å; I212-R219 HydrophobicContact CG1-CG 3.91Å; I212-R219 PolarHBondContact N-O 3.22Å; I212-R219 PolarHBondContact O-N 2.88Å; R219-E225 IonicContact CZ-OE1 3.23Å; R219-E225 VanDerWaalsContact CZ-OE1 3.23Å; R219-E225 IonicContact NH1-OE1 2.81Å; R219-E225 PolarHBondContact NH1-OE1 3.12Å; R219-E225 IonicContact NH1-OE2 3.1Å; R219-E225 PolarHBondContact NH1-OE2 3.03Å; R219-E225 VanDerWaalsContact NH1-OE2 3.1Å; R219-E225 IonicContact NH2-OE1 2.74Å; R219-E225 PolarHBondContact NH2-OE1 3.45Å
220	R	97.7	Very high	97.6	Very high	81 Å²	81	53.2 Å²	53.2	31%	0.306	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	145.8	162.9	-67.8	179.6	-68.8	-140.4	14.8	109.8	H63 V65 E209 V210	H63-R220 VanDerWaalsContact CB-NH1 3.27Å; H63-R220 PolarHBondContact CD2-NH1 2.75Å; H63-R220 VanDerWaalsContact CE1-CZ 3.45Å; H63-R220 PolarHBondContact CE1-NH1 2.9Å; H63-R220 PolarHBondContact CE1-NH2 3.02Å; H63-R220 PolarHBondContact ND1-NH1 3.29Å; H63-R220 VanDerWaalsContact ND1-NH1 3.15Å; H63-R220 PolarHBondContact NE2-NH1 3.33Å; H63-R220 PolarHBondContact NE2-NH2 3.1Å; V65-R220 HydrophobicContact CB-CG 4.45Å; V65-R220 HydrophobicContact CG1-CG 4.25Å; V65-R220 WeakPolarHBondContact O-CD 3.48Å; V65-R220 PolarHBondContact O-NH1 2.9Å; E209-R220 WeakPolarHBondContact OE1-CD 3.35Å; V210-R220 WeakPolarHBondContact O-CA 3.46Å
221	L	97.9	Very high	97.5	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.073	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-70	144.5	163.5	-59.9	-170.2	0	0	0	109.2	I188 V210 I212 E225 V226 Y229	I188-L221 HydrophobicContact CD1-CD1 4.48Å; I188-L221 HydrophobicContact CG2-CD1 4.31Å; V210-L221 HydrophobicContact CB-CB 4.35Å; V210-L221 HydrophobicContact CB-CD1 3.9Å; V210-L221 HydrophobicContact CB-CG 4.14Å; V210-L221 HydrophobicContact CG1-CD1 3.61Å; V210-L221 HydrophobicContact CG1-CG 4.03Å; V210-L221 PolarHBondContact O-N 3.08Å; I212-L221 HydrophobicContact CD1-CD2 3.87Å; I212-L221 HydrophobicContact CG1-CD2 3.99Å; I212-L221 HydrophobicContact CG2-CD2 4.14Å; I212-L221 HydrophobicContact CG2-CG 4.34Å; L221-E225 HydrophobicContact CB-CB 4.11Å; L221-V226 HydrophobicContact CB-CG2 3.84Å; L221-Y229 HydrophobicContact CD1-CD2 4.03Å; L221-Y229 HydrophobicContact CD1-CE2 3.67Å
222	T	96.5	Very high	97.1	Very high	68 Å²	68	59.8 Å²	59.8	42%	0.417	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-72.7	158.1	171.9	60.3	0	0	0	0	110.5	T224 E225 V226	T222-T224 PolarHBondContact O-N 3.35Å; T222-E225 WeakPolarHBondContact CB-OE2 3.49Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.4Å; T222-E225 PolarHBondContact N-OE2 3.28Å; T222-E225 PolarHBondContact O-N 3.1Å; T222-E225 VanDerWaalsContact O-N 3.12Å; T222-E225 WeakPolarHBondContact OG1-CG 3.18Å; T222-E225 PolarHBondContact OG1-N 3.44Å; T222-E225 PolarHBondContact OG1-OE2 3.42Å; T222-V226 WeakPolarHBondContact O-CG2 3.46Å; T222-V226 PolarHBondContact O-N 3.18Å
223	P	94.3	Very high	96.4	Very high	74 Å²	74	60.6 Å²	60.6	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-54.7	-35.7	174.8	-27.3	35.8	0	0	0	113	E205 V226 K227	E205-P223 HydrophobicContact CB-CB 4.19Å; E205-P223 VanDerWaalsContact CB-O 3.26Å; E205-P223 WeakPolarHBondContact CB-O 3.41Å; E205-P223 HydrophobicContact CG-CB 4.22Å; P223-V226 PolarHBondContact O-N 2.74Å; P223-K227 WeakPolarHBondContact O-CB 3.5Å; P223-K227 PolarHBondContact O-N 3.06Å
224	T	97.3	Very high	94.9	Very high	92 Å²	92	67.1 Å²	67.1	56%	0.564	39%	0.394	S	S	*	.	H	α-helix	trans	-62.7	-50.3	175.2	-52.7	0	0	0	0	111.9	T222 V226 K227 D228	T222-T224 PolarHBondContact O-N 3.35Å; T224-V226 VanDerWaalsContact C-N 3.3Å; T224-V226 PolarHBondContact O-N 2.72Å; T224-K227 WeakPolarHBondContact O-CB 3.37Å; T224-K227 PolarHBondContact O-N 3.25Å; T224-K227 VanDerWaalsContact O-N 3.14Å; T224-D228 PolarHBondContact O-N 2.99Å
225	E	98.1	Very high	94.8	Very high	50 Å²	50	68.3 Å²	68.3	23%	0.234	40%	0.402	C	S	.	.	H	α-helix	trans	-58.7	-43.4	176.8	-72.4	166.7	110.2	0	0	111.3	R219 L221 T222 K227 D228 Y229	R219-E225 IonicContact CZ-OE1 3.23Å; R219-E225 VanDerWaalsContact CZ-OE1 3.23Å; R219-E225 IonicContact NH1-OE1 2.81Å; R219-E225 PolarHBondContact NH1-OE1 3.12Å; R219-E225 IonicContact NH1-OE2 3.1Å; R219-E225 PolarHBondContact NH1-OE2 3.03Å; R219-E225 VanDerWaalsContact NH1-OE2 3.1Å; R219-E225 IonicContact NH2-OE1 2.74Å; R219-E225 PolarHBondContact NH2-OE1 3.45Å; L221-E225 HydrophobicContact CB-CB 4.11Å; T222-E225 WeakPolarHBondContact CB-OE2 3.49Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.4Å; T222-E225 PolarHBondContact N-OE2 3.28Å; T222-E225 PolarHBondContact O-N 3.1Å; T222-E225 VanDerWaalsContact O-N 3.12Å; T222-E225 WeakPolarHBondContact OG1-CG 3.18Å; T222-E225 PolarHBondContact OG1-N 3.44Å; T222-E225 PolarHBondContact OG1-OE2 3.42Å; E225-K227 VanDerWaalsContact C-N 3.33Å; E225-K227 PolarHBondContact O-N 3.24Å; E225-D228 PolarHBondContact O-N 3.02Å; E225-Y229 WeakPolarHBondContact O-CD2 3.07Å; E225-Y229 PolarHBondContact O-N 3.14Å
226	V	97.4	Very high	94.6	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.03	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-42.4	177.4	176.5	0	0	0	0	111.2	E205 I208 V210 L221 T222 P223 T224 D228 Y229 L230	E205-V226 HydrophobicContact CB-CB 4.38Å; E205-V226 HydrophobicContact CB-CG1 4.33Å; I208-V226 HydrophobicContact CD1-CG1 3.57Å; I208-V226 HydrophobicContact CG1-CG1 3.71Å; V210-V226 HydrophobicContact CB-CG2 4.39Å; V210-V226 HydrophobicContact CG2-CG2 4.3Å; L221-V226 HydrophobicContact CB-CG2 3.84Å; T222-V226 WeakPolarHBondContact O-CG2 3.46Å; T222-V226 PolarHBondContact O-N 3.18Å; P223-V226 PolarHBondContact O-N 2.74Å; T224-V226 VanDerWaalsContact C-N 3.3Å; T224-V226 PolarHBondContact O-N 2.72Å; V226-D228 VanDerWaalsContact C-N 3.3Å; V226-D228 PolarHBondContact O-N 3.24Å; V226-Y229 PolarHBondContact O-N 2.91Å; V226-L230 HydrophobicContact CG1-CD1 4.09Å; V226-L230 HydrophobicContact CG1-CG 4.44Å; V226-L230 WeakPolarHBondContact O-CG 3.15Å; V226-L230 PolarHBondContact O-N 3.31Å
227	K	96.4	Very high	94.4	Very high	107 Å²	107	61.1 Å²	61.1	47%	0.465	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-40.7	176.9	-167.8	-175.6	-167.4	124	0	112	E205 P223 T224 E225 L230 A231	E205-K227 HydrophobicContact CB-CB 4.15Å; E205-K227 WeakPolarHBondContact OE1-CD 3.39Å; E205-K227 IonicContact OE1-NZ 3.56Å; E205-K227 PolarHBondContact OE1-NZ 3.22Å; P223-K227 WeakPolarHBondContact O-CB 3.5Å; P223-K227 PolarHBondContact O-N 3.06Å; T224-K227 WeakPolarHBondContact O-CB 3.37Å; T224-K227 PolarHBondContact O-N 3.25Å; T224-K227 VanDerWaalsContact O-N 3.14Å; E225-K227 VanDerWaalsContact C-N 3.33Å; E225-K227 PolarHBondContact O-N 3.24Å; K227-L230 PolarHBondContact O-N 2.85Å; K227-A231 PolarHBondContact O-N 3.11Å
228	D	97.3	Very high	94.2	Very high	101 Å²	101	64.1 Å²	64.1	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-43.1	178.7	-64.7	-23.5	0	0	0	111.3	T224 E225 V226 L230 A231 A232	T224-D228 PolarHBondContact O-N 2.99Å; E225-D228 PolarHBondContact O-N 3.02Å; V226-D228 VanDerWaalsContact C-N 3.3Å; V226-D228 PolarHBondContact O-N 3.24Å; D228-L230 PolarHBondContact O-N 3.23Å; D228-A231 PolarHBondContact O-N 3.28Å; D228-A232 PolarHBondContact O-N 2.77Å; D228-A232 VanDerWaalsContact O-N 3.17Å
229	Y	97.5	Very high	94	Very high	39 Å²	39	66.9 Å²	66.9	15%	0.153	39%	0.39	C	S	.	.	H	α-helix	trans	-63.7	-39.6	173.1	-73.1	-71.8	0	0	0	112.7	E185 I188 I192 L221 E225 V226 A231 A232 I233	E185-Y229 PolarHBondContact OE1-OH 3.02Å; E185-Y229 VanDerWaalsContact OE2-CE1 3.27Å; E185-Y229 WeakPolarHBondContact OE2-CE1 3.48Å; E185-Y229 VanDerWaalsContact OE2-CZ 3.24Å; E185-Y229 PolarHBondContact OE2-OH 3.27Å; I188-Y229 HydrophobicContact CB-CD1 4.38Å; I188-Y229 HydrophobicContact CB-CE1 4.02Å; I188-Y229 HydrophobicContact CD1-CE1 4.24Å; I188-Y229 HydrophobicContact CD1-CE2 4.17Å; I188-Y229 VanDerWaalsContact CD1-OH 3.22Å; I188-Y229 WeakPolarHBondContact CD1-OH 3.05Å; I188-Y229 HydrophobicContact CG2-CD1 3.76Å; I188-Y229 HydrophobicContact CG2-CD2 3.77Å; I188-Y229 HydrophobicContact CG2-CE1 3.76Å; I188-Y229 HydrophobicContact CG2-CE2 3.79Å; I188-Y229 HydrophobicContact CG2-CG 3.78Å; I192-Y229 HydrophobicContact CD1-CG 4.24Å; L221-Y229 HydrophobicContact CD1-CD2 4.03Å; L221-Y229 HydrophobicContact CD1-CE2 3.67Å; E225-Y229 WeakPolarHBondContact O-CD2 3.07Å; E225-Y229 PolarHBondContact O-N 3.14Å; V226-Y229 PolarHBondContact O-N 2.91Å; Y229-A231 VanDerWaalsContact C-N 3.31Å; Y229-A231 PolarHBondContact O-N 2.77Å; Y229-A232 PolarHBondContact O-N 3.39Å; Y229-I233 WeakPolarHBondContact O-CD1 3.46Å; Y229-I233 VanDerWaalsContact O-CG1 3.31Å; Y229-I233 WeakPolarHBondContact O-CG1 3.23Å; Y229-I233 PolarHBondContact O-N 2.85Å
230	L	96.2	Very high	93.7	Very high	26 Å²	26	63.8 Å²	63.8	14%	0.136	39%	0.387	C	S	.	.	H	α-helix	trans	-64	-38	177.3	-71.8	171.8	0	0	0	111.8	I192 M203 T204 I208 V226 K227 D228 A232 I233 A234	I192-L230 HydrophobicContact CG2-CD2 3.77Å; M203-L230 HydrophobicContact CB-CD2 4.26Å; M203-L230 HydrophobicContact CG-CD2 3.71Å; M203-L230 HydrophobicContact SD-CD2 3.55Å; M203-L230 VanDerWaalsContact SD-CD2 3.55Å; T204-L230 VanDerWaalsContact C-CD1 3.41Å; I208-L230 HydrophobicContact CD1-CD1 4.4Å; I208-L230 HydrophobicContact CD1-CD2 4.18Å; I208-L230 HydrophobicContact CD1-CG 4.47Å; V226-L230 HydrophobicContact CG1-CD1 4.09Å; V226-L230 HydrophobicContact CG1-CG 4.44Å; V226-L230 WeakPolarHBondContact O-CG 3.15Å; V226-L230 PolarHBondContact O-N 3.31Å; K227-L230 PolarHBondContact O-N 2.85Å; D228-L230 PolarHBondContact O-N 3.23Å; L230-A232 VanDerWaalsContact C-N 3.31Å; L230-A232 PolarHBondContact O-N 3.06Å; L230-I233 PolarHBondContact O-N 3.25Å; L230-A234 PolarHBondContact O-N 3.39Å
231	A	95	Very high	93.4	Very high	69 Å²	69	62.6 Å²	62.6	57%	0.57	39%	0.393	S	S	*	.	H	α-helix	trans	-65.4	-34.2	175.7	0	0	0	0	0	112.4	K227 D228 Y229 I233	K227-A231 PolarHBondContact O-N 3.11Å; D228-A231 PolarHBondContact O-N 3.28Å; Y229-A231 VanDerWaalsContact C-N 3.31Å; Y229-A231 PolarHBondContact O-N 2.77Å; A231-I233 VanDerWaalsContact C-N 3.27Å; A231-I233 PolarHBondContact O-N 3.29Å
232	A	90.8	Very high	93	Very high	72 Å²	72	66.3 Å²	66.3	60%	0.595	42%	0.418	S	S	*	.	H	α-helix	trans	-74.7	-13.2	175.5	0	0	0	0	0	114.1	D228 Y229 L230	D228-A232 PolarHBondContact O-N 2.77Å; D228-A232 VanDerWaalsContact O-N 3.17Å; Y229-A232 PolarHBondContact O-N 3.39Å; L230-A232 VanDerWaalsContact C-N 3.31Å; L230-A232 PolarHBondContact O-N 3.06Å
233	I	85.5	Confident	92.7	Very high	22 Å²	22	66.2 Å²	66.2	11%	0.113	42%	0.418	C	S	.	.	H	α-helix	trans	-95.4	-19.6	179	-71.1	164.4	0	0	0	112.3	H189 I192 L193 K196 Y229 L230 A231	H189-I233 WeakPolarHBondContact CE1-CG1 3.43Å; H189-I233 WeakPolarHBondContact ND1-CG1 3.27Å; I192-I233 HydrophobicContact CB-CD1 3.58Å; I192-I233 HydrophobicContact CD1-CD1 4.16Å; I192-I233 HydrophobicContact CG1-CD1 4.48Å; I192-I233 HydrophobicContact CG2-CD1 3.34Å; L193-I233 HydrophobicContact CD2-CG2 3.61Å; L193-I233 HydrophobicContact CG-CG2 4.48Å; K196-I233 HydrophobicContact CD-CG2 4.29Å; Y229-I233 WeakPolarHBondContact O-CD1 3.46Å; Y229-I233 VanDerWaalsContact O-CG1 3.31Å; Y229-I233 WeakPolarHBondContact O-CG1 3.23Å; Y229-I233 PolarHBondContact O-N 2.85Å; L230-I233 PolarHBondContact O-N 3.25Å; A231-I233 VanDerWaalsContact C-N 3.27Å; A231-I233 PolarHBondContact O-N 3.29Å
234	A	67.1	Low	92.6	Very high	137 Å²	137	65.5 Å²	65.5	100%	1.132	41%	0.412	S	S	*	.			trans	-75	0	-176.7	0	0	0	0	0	112.1	L230	L230-A234 PolarHBondContact O-N 3.39Å

Retrieved 234 of 234 residues in 507.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).