A0A5K4FCD2_SCHMA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A5K4FCD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 460 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	46.7	Very low	43.9	Very low	245 Å²	245	162.9 Å²	162.9	100%	1.207	83%	0.825	S	S	*	*				0	129.5	0	-70.5	-178.4	-89.9	0	0	108.5
2	Q	39.1	Very low	45.3	Very low	182 Å²	182	153.9 Å²	153.9	85%	0.85	78%	0.784	S	S	*	*			trans	-83.6	129.8	-179.2	-76.4	175.4	-19.5	0	0	111.1
3	R	40.9	Very low	48.4	Very low	237 Å²	237	145.5 Å²	145.5	89%	0.894	74%	0.742	S	S	*	*			trans	-97.1	90.3	171.5	-162.8	179.3	-162.8	174.8	5.2	107.8	Y5	R3-Y5 PolarHBondContact O-N 3.02Å
4	L	45.7	Very low	51.5	Low	149 Å²	149	139.7 Å²	139.7	78%	0.78	72%	0.717	S	S	*	*			trans	-62.4	120	-179.5	-73.3	170.1	0	0	0	110.1	T6	L4-T6 PolarHBondContact O-N 3.2Å
5	Y	38.7	Very low	54.3	Low	227 Å²	227	130.4 Å²	130.4	89%	0.89	67%	0.669	S	S	*	*			trans	-70.7	109.8	172.7	-95.3	-100.3	0	0	0	109.6	R3 K7	R3-Y5 PolarHBondContact O-N 3.02Å; Y5-K7 PolarHBondContact O-N 2.82Å
6	T	47.2	Very low	56.9	Low	134 Å²	134	124 Å²	124	82%	0.822	64%	0.637	S	S	*	*			trans	-70.6	111.5	158.5	41.5	0	0	0	0	108.3	L4 S8	L4-T6 PolarHBondContact O-N 3.2Å; T6-S8 PolarHBondContact O-N 3.44Å
7	K	42.8	Very low	59.2	Low	159 Å²	159	116.7 Å²	116.7	69%	0.691	60%	0.599	S	S	*	*			trans	-57.1	132.6	167.5	-82	-177.6	172.8	-179.4	0	108.4	Y5 V9 E61	Y5-K7 PolarHBondContact O-N 2.82Å; K7-V9 PolarHBondContact O-N 3.2Å; K7-E61 IonicContact NZ-OE1 3.89Å; K7-E61 PolarHBondContact NZ-OE1 3.19Å
8	S	38.3	Very low	61.3	Low	109 Å²	109	110.2 Å²	110.2	76%	0.762	57%	0.566	S	S	*	*			trans	-63.9	129.2	168.3	-174.9	0	0	0	0	109.5	T6 A10	T6-S8 PolarHBondContact O-N 3.44Å; S8-A10 PolarHBondContact O-N 3.06Å
9	V	45.8	Very low	63.1	Low	127 Å²	127	104.4 Å²	104.4	77%	0.77	54%	0.536	S	S	*	.			trans	-79.9	69.4	179.1	-173.7	0	0	0	0	109	K7 V12	K7-V9 PolarHBondContact O-N 3.2Å; V9-V12 HydrophobicContact CG1-CG2 3.7Å
10	A	45.6	Very low	64.7	Low	73 Å²	73	99.2 Å²	99.2	60%	0.603	51%	0.509	S	S	*	.			trans	-85.2	112.9	-178.4	0	0	0	0	0	110.9	S8 V12	S8-A10 PolarHBondContact O-N 3.06Å; A10-V12 PolarHBondContact O-N 3.29Å
11	N	52.4	Low	66.2	Low	150 Å²	150	94.6 Å²	94.6	80%	0.802	49%	0.486	S	S	*	.			trans	51.2	58.8	166.1	-58	-28.7	0	0	0	115.2	N13	N11-N13 PolarHBondContact O-N 2.99Å
12	V	60.9	Low	68.4	Low	55 Å²	55	84.8 Å²	84.8	33%	0.333	44%	0.438	S	S	.	.			trans	-60.9	124	168.8	-173.6	0	0	0	0	109	V9 A10 T14 T63	V9-V12 HydrophobicContact CG1-CG2 3.7Å; A10-V12 PolarHBondContact O-N 3.29Å; V12-T14 PolarHBondContact O-N 3.46Å; V12-T14 VanDerWaalsContact O-N 3.13Å; V12-T63 VanDerWaalsContact CG1-OG1 3.25Å; V12-T63 WeakPolarHBondContact CG1-OG1 3.15Å
13	N	85.8	Confident	70.9	Confident	45 Å²	45	79.5 Å²	79.5	24%	0.241	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	106.6	-176.3	-77.3	-68.4	0	0	0	110.6	N11 L62 T63 L240	N11-N13 PolarHBondContact O-N 2.99Å; N13-L62 HydrophobicContact CB-CB 4.05Å; N13-L62 WeakPolarHBondContact O-CA 3.24Å; N13-L62 VanDerWaalsContact O-CB 3.23Å; N13-L62 WeakPolarHBondContact O-CB 3.41Å; N13-T63 PolarHBondContact O-N 3.18Å; N13-L240 HydrophobicContact CB-CD2 4.06Å
14	T	91.4	Very high	73.3	Confident	64 Å²	64	69.9 Å²	69.9	39%	0.393	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.9	174	-53.8	0	0	0	0	111.4	V12 T63 N65 K243	V12-T14 PolarHBondContact O-N 3.46Å; V12-T14 VanDerWaalsContact O-N 3.13Å; T14-T63 WeakPolarHBondContact CA-O 3.28Å; T14-T63 HydrophobicContact CG2-CG2 4.48Å; T14-N65 VanDerWaalsContact CG2-ND2 3.28Å; T14-N65 WeakPolarHBondContact CG2-ND2 3.42Å; T14-K243 PolarHBondContact O-NZ 3.27Å
15	I	93.8	Very high	75.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130	178.1	-53.3	178.8	0	0	0	108.6	I17 L62 T63 N65 Q85 A236 C239 L240	I15-I17 HydrophobicContact CG2-CD1 4.45Å; I15-I17 HydrophobicContact CG2-CG1 4.04Å; I15-L62 HydrophobicContact CD1-CD2 3.96Å; I15-T63 PolarHBondContact N-O 3.25Å; I15-N65 PolarHBondContact O-N 3.49Å; I15-Q85 HydrophobicContact CG2-CB 4.33Å; I15-A236 HydrophobicContact CD1-CB 3.83Å; I15-C239 HydrophobicContact CD1-CB 4.09Å; I15-C239 HydrophobicContact CG1-CB 4.4Å; I15-C239 HydrophobicContact CG2-CB 3.66Å; I15-L240 HydrophobicContact CD1-CD1 4.4Å; I15-L240 HydrophobicContact CD1-CD2 4.18Å; I15-L240 HydrophobicContact CD1-CG 3.94Å
16	N	95.3	Very high	78.2	Confident	28 Å²	28	52.7 Å²	52.7	15%	0.15	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127	175	-69.1	-0.5	0	0	0	109.6	N65 W83 Q85 A86	N16-N65 PolarHBondContact OD1-ND2 3.42Å; N16-W83 HydrophobicContact CB-CD2 4.11Å; N16-W83 HydrophobicContact CB-CE3 3.8Å; N16-W83 HydrophobicContact CB-CH2 3.82Å; N16-W83 HydrophobicContact CB-CZ2 4.11Å; N16-W83 HydrophobicContact CB-CZ3 3.66Å; N16-W83 WeakPolarHBondContact CB-O 3.45Å; N16-W83 PolarHBondContact ND2-O 3.44Å; N16-Q85 HydrophobicContact CB-CG 4.4Å; N16-Q85 WeakPolarHBondContact O-CB 3.26Å; N16-Q85 PolarHBondContact O-N 3.07Å; N16-A86 PolarHBondContact O-N 2.68Å
17	I	96.7	Very high	80.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.5	179.1	-54.1	-177.3	0	0	0	108.9	I15 V64 N65 I66 Q67 A86 I88 F232 A235	I15-I17 HydrophobicContact CG2-CD1 4.45Å; I15-I17 HydrophobicContact CG2-CG1 4.04Å; I17-V64 HydrophobicContact CD1-CG1 3.67Å; I17-V64 HydrophobicContact CG1-CG1 4.1Å; I17-N65 PolarHBondContact N-O 2.85Å; I17-I66 CarbonylContact O-C 3.56Å; I17-I66 VanDerWaalsContact O-CA 3.27Å; I17-I66 WeakPolarHBondContact O-CA 3.34Å; I17-Q67 PolarHBondContact O-N 3.01Å; I17-A86 WeakPolarHBondContact CA-O 3.4Å; I17-A86 HydrophobicContact CG1-CB 4.47Å; I17-I88 HydrophobicContact CG2-CD1 3.61Å; I17-I88 HydrophobicContact CG2-CG1 3.97Å; I17-F232 HydrophobicContact CD1-CD1 4.19Å; I17-A235 HydrophobicContact CD1-CB 3.78Å
18	S	96.3	Very high	82.7	Confident	0 Å²	0	39 Å²	39	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.5	171.9	-58.3	0	0	0	0	110.5	Q67 W83 S84 A86 I87 I88	S18-Q67 PolarHBondContact OG-OE1 3.18Å; S18-W83 WeakPolarHBondContact OG-CZ3 3.44Å; S18-S84 WeakPolarHBondContact CB-OG 3.45Å; S18-S84 PolarHBondContact OG-OG 2.87Å; S18-A86 PolarHBondContact N-O 3.27Å; S18-A86 VanDerWaalsContact N-O 3.16Å; S18-I87 WeakPolarHBondContact O-CA 3.2Å; S18-I88 PolarHBondContact O-N 3.14Å
19	I	96.1	Very high	85.4	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.6	177.9	-65	153.3	0	0	0	108.1	K27 V31 I66 Q67 T69 I88 F232	I19-K27 HydrophobicContact CG2-CB 3.83Å; I19-K27 HydrophobicContact CG2-CD 4.34Å; I19-K27 HydrophobicContact CG2-CG 4.11Å; I19-V31 HydrophobicContact CD1-CG2 3.27Å; I19-I66 HydrophobicContact CD1-CG2 3.59Å; I19-Q67 PolarHBondContact N-O 2.99Å; I19-T69 PolarHBondContact O-N 3.13Å; I19-T69 PolarHBondContact O-OG1 3.4Å; I19-T69 VanDerWaalsContact O-OG1 3.14Å; I19-I88 WeakPolarHBondContact CA-O 3.21Å; I19-I88 HydrophobicContact CD1-CD1 4.5Å; I19-I88 HydrophobicContact CG1-CB 3.93Å; I19-I88 HydrophobicContact CG1-CD1 4.04Å; I19-I88 HydrophobicContact CG1-CG1 4.49Å; I19-I88 HydrophobicContact CG1-CG2 4.44Å; I19-F232 HydrophobicContact CD1-CE1 3.86Å; I19-F232 HydrophobicContact CD1-CZ 3.6Å
20	I	95.5	Very high	87.7	Confident	0 Å²	0	29 Å²	29	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.3	-174.7	68	175.6	0	0	0	110.8	T69 I80 I87 I88 I89 L90 L105 I109	I20-T69 HydrophobicContact CG2-CG2 3.99Å; I20-I80 HydrophobicContact CG2-CD1 3.65Å; I20-I80 HydrophobicContact CG2-CG2 4.32Å; I20-I87 HydrophobicContact CD1-CG2 3.6Å; I20-I87 HydrophobicContact CG1-CG2 3.74Å; I20-I88 PolarHBondContact N-O 2.92Å; I20-I89 HydrophobicContact CD1-CD1 4.36Å; I20-I89 HydrophobicContact CD1-CG1 4.01Å; I20-I89 HydrophobicContact CG1-CB 4.42Å; I20-I89 HydrophobicContact CG1-CG1 3.87Å; I20-I89 HydrophobicContact CG1-CG2 4.47Å; I20-I89 WeakPolarHBondContact O-CA 3.34Å; I20-L90 PolarHBondContact O-N 3.25Å; I20-L105 HydrophobicContact CD1-CB 4.27Å; I20-L105 HydrophobicContact CD1-CD1 4.11Å; I20-L105 HydrophobicContact CD1-CD2 4.19Å; I20-L105 HydrophobicContact CD1-CG 4.43Å; I20-L105 HydrophobicContact CG1-CD1 4.22Å; I20-I109 HydrophobicContact CD1-CD1 3.74Å
21	G	95	Very high	90.1	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.021	16%	0.156	C	C	.	.			trans	144.8	160.5	-175.9	0	0	0	0	0	112.2	K27 L90	G21-K27 PolarHBondContact O-NZ 2.89Å; G21-L90 WeakPolarHBondContact CA-O 3.36Å
22	M	93.2	Very high	92	Very high	39 Å²	39	18.6 Å²	18.6	19%	0.192	12%	0.119	C	C	.	.	S	Bend	trans	-56.8	153.9	-177.5	-155	-170	82.3	0	0	112.3	G24 S25 R97 R101	M22-G24 PolarHBondContact O-N 3.32Å; M22-S25 WeakPolarHBondContact O-CB 3.19Å; M22-S25 PolarHBondContact O-N 3.4Å; M22-S25 VanDerWaalsContact O-N 3.12Å; M22-S25 PolarHBondContact O-OG 3.35Å; M22-R97 HydrophobicContact CE-CB 4.28Å; M22-R97 HydrophobicContact SD-CB 3.84Å; M22-R101 HydrophobicContact CB-CB 4.09Å; M22-R101 HydrophobicContact CB-CG 4.06Å; M22-R101 HydrophobicContact CG-CB 4.29Å; M22-R101 HydrophobicContact CG-CG 4.27Å
23	N	91.3	Very high	93.7	Very high	72 Å²	72	16.4 Å²	16.4	39%	0.385	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45	133.6	171.2	-176.1	-37	0	0	0	112	S25 D71	N23-S25 PolarHBondContact O-N 2.84Å; N23-D71 WeakPolarHBondContact CA-OD1 3.45Å; N23-D71 HydrophobicContact CB-CB 3.98Å; N23-D71 PolarHBondContact ND2-O 2.76Å
24	G	90.8	Very high	94.2	Very high	34 Å²	34	14.3 Å²	14.3	35%	0.351	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	4.9	176.9	0	0	0	0	0	115.4	M22 G26 D71 K191	M22-G24 PolarHBondContact O-N 3.32Å; G24-G26 PolarHBondContact O-N 2.65Å; G24-D71 PolarHBondContact N-OD2 3.38Å; G24-K191 PolarHBondContact O-NZ 3.36Å
25	S	94.1	Very high	94.3	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-59.6	-29.3	165.6	54.1	0	0	0	0	112.4	M22 N23 K27 L90 N190	M22-S25 WeakPolarHBondContact O-CB 3.19Å; M22-S25 PolarHBondContact O-N 3.4Å; M22-S25 VanDerWaalsContact O-N 3.12Å; M22-S25 PolarHBondContact O-OG 3.35Å; N23-S25 PolarHBondContact O-N 2.84Å; S25-K27 WeakPolarHBondContact OG-CG 3.45Å; S25-L90 WeakPolarHBondContact CB-O 3.25Å; S25-N190 PolarHBondContact O-ND2 3.46Å
26	G	93.3	Very high	94.3	Very high	15 Å²	15	14.3 Å²	14.3	16%	0.155	9%	0.092	C	C	.	.			trans	100.1	28.3	176.2	0	0	0	0	0	114.6	G24 S28 A29 V30 L90	G24-G26 PolarHBondContact O-N 2.65Å; G26-S28 PolarHBondContact O-N 3.03Å; G26-A29 WeakPolarHBondContact O-CA 3.41Å; G26-A29 WeakPolarHBondContact O-CB 3.36Å; G26-A29 PolarHBondContact O-N 2.84Å; G26-V30 PolarHBondContact O-N 3.11Å; G26-L90 VanDerWaalsContact C-CD2 3.4Å
27	K	94.1	Very high	94.3	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-46.7	-59.3	-177.9	-55.3	-166.2	-62.6	-89	0	112	I19 G21 S25 A29 V30 V31 T69 S70 D71 L90	I19-K27 HydrophobicContact CG2-CB 3.83Å; I19-K27 HydrophobicContact CG2-CD 4.34Å; I19-K27 HydrophobicContact CG2-CG 4.11Å; G21-K27 PolarHBondContact O-NZ 2.89Å; S25-K27 WeakPolarHBondContact OG-CG 3.45Å; K27-A29 VanDerWaalsContact C-N 3.27Å; K27-A29 PolarHBondContact O-N 3.07Å; K27-V30 WeakPolarHBondContact O-CB 3.46Å; K27-V30 PolarHBondContact O-N 2.99Å; K27-V30 VanDerWaalsContact O-N 3.08Å; K27-V31 WeakPolarHBondContact O-CG2 3.1Å; K27-V31 PolarHBondContact O-N 3.37Å; K27-T69 WeakPolarHBondContact CE-O 3.1Å; K27-T69 VanDerWaalsContact CE-OG1 3.24Å; K27-T69 WeakPolarHBondContact CE-OG1 3.3Å; K27-S70 PolarHBondContact NZ-O 2.98Å; K27-D71 IonicContact NZ-OD1 2.72Å; K27-D71 PolarHBondContact NZ-OD1 2.86Å; K27-L90 HydrophobicContact CB-CD2 4.46Å; K27-L90 HydrophobicContact CG-CD2 4.21Å; K27-L90 VanDerWaalsContact N-CD2 3.31Å
28	S	92.2	Very high	94.1	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.035	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-26.6	180	-44.9	0	0	0	0	113.9	G26 V31 V32 Y43 D68	G26-S28 PolarHBondContact O-N 3.03Å; S28-V31 PolarHBondContact O-N 3.14Å; S28-V32 VanDerWaalsContact O-CB 3.28Å; S28-V32 WeakPolarHBondContact O-CB 3.4Å; S28-V32 WeakPolarHBondContact O-CG2 3.26Å; S28-V32 PolarHBondContact O-N 2.9Å; S28-Y43 WeakPolarHBondContact OG-CE1 3.49Å; S28-D68 WeakPolarHBondContact CA-OD2 3.42Å; S28-D68 WeakPolarHBondContact CB-OD2 3.46Å; S28-D68 PolarHBondContact N-OD1 2.81Å; S28-D68 PolarHBondContact OG-OD2 3.11Å
29	A	93.5	Very high	93.8	Very high	26 Å²	26	32.7 Å²	32.7	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-69.5	-39.7	173.8	0	0	0	0	0	111.4	G26 K27 K33 F39 V221	G26-A29 WeakPolarHBondContact O-CA 3.41Å; G26-A29 WeakPolarHBondContact O-CB 3.36Å; G26-A29 PolarHBondContact O-N 2.84Å; K27-A29 VanDerWaalsContact C-N 3.27Å; K27-A29 PolarHBondContact O-N 3.07Å; A29-K33 WeakPolarHBondContact O-CB 3.49Å; A29-K33 PolarHBondContact O-N 2.81Å; A29-F39 HydrophobicContact CB-CE2 4.24Å; A29-V221 HydrophobicContact CB-CG1 3.91Å; A29-V221 WeakPolarHBondContact O-CG1 3.47Å
30	V	95.4	Very high	93.4	Very high	1 Å²	1	35 Å²	35	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-46.8	171.1	174.6	0	0	0	0	110.3	G26 K27 K33 Y34 L90 I219 V221 V228 F232	G26-V30 PolarHBondContact O-N 3.11Å; K27-V30 WeakPolarHBondContact O-CB 3.46Å; K27-V30 PolarHBondContact O-N 2.99Å; K27-V30 VanDerWaalsContact O-N 3.08Å; V30-K33 PolarHBondContact O-N 3.03Å; V30-Y34 PolarHBondContact O-N 2.72Å; V30-L90 HydrophobicContact CG2-CD1 4Å; V30-L90 HydrophobicContact CG2-CD2 3.7Å; V30-I219 HydrophobicContact CG2-CD1 3.93Å; V30-V221 HydrophobicContact CB-CG2 4.49Å; V30-V221 HydrophobicContact CG2-CG2 3.52Å; V30-V228 HydrophobicContact CG1-CG1 4.17Å; V30-V228 WeakPolarHBondContact O-CG1 3.17Å; V30-F232 HydrophobicContact CG1-CE2 3.79Å; V30-F232 HydrophobicContact CG1-CZ 4.28Å
31	V	95.1	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-54.4	177.9	174.8	0	0	0	0	111.9	I19 K27 S28 K33 Y34 L35 Y51 I66 D68	I19-V31 HydrophobicContact CD1-CG2 3.27Å; K27-V31 WeakPolarHBondContact O-CG2 3.1Å; K27-V31 PolarHBondContact O-N 3.37Å; S28-V31 PolarHBondContact O-N 3.14Å; V31-K33 VanDerWaalsContact C-N 3.3Å; V31-K33 PolarHBondContact O-N 3.36Å; V31-Y34 PolarHBondContact O-N 3.48Å; V31-Y34 VanDerWaalsContact O-N 3.09Å; V31-L35 HydrophobicContact CG1-CD1 3.61Å; V31-L35 HydrophobicContact CG1-CG 4.21Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 2.99Å; V31-Y51 HydrophobicContact CG1-CD2 3.39Å; V31-Y51 HydrophobicContact CG1-CE2 3.6Å; V31-Y51 HydrophobicContact CG1-CG 4.32Å; V31-I66 HydrophobicContact CG1-CG2 4.38Å; V31-I66 HydrophobicContact CG2-CG2 4.01Å; V31-D68 HydrophobicContact CG2-CB 4.13Å
32	V	93.1	Very high	92.2	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-39.3	-179.7	170.8	0	0	0	0	111.2	S28 L35 T36 I40 Y43 L319	S28-V32 VanDerWaalsContact O-CB 3.28Å; S28-V32 WeakPolarHBondContact O-CB 3.4Å; S28-V32 WeakPolarHBondContact O-CG2 3.26Å; S28-V32 PolarHBondContact O-N 2.9Å; V32-L35 PolarHBondContact O-N 2.9Å; V32-T36 HydrophobicContact CG1-CG2 4.17Å; V32-T36 WeakPolarHBondContact O-CB 3.43Å; V32-T36 WeakPolarHBondContact O-CG2 3.46Å; V32-T36 PolarHBondContact O-N 3.11Å; V32-T36 PolarHBondContact O-OG1 3.4Å; V32-I40 HydrophobicContact CG1-CB 4.22Å; V32-I40 HydrophobicContact CG1-CD1 3.63Å; V32-I40 HydrophobicContact CG1-CG1 3.78Å; V32-Y43 HydrophobicContact CG2-CD2 4.06Å; V32-Y43 HydrophobicContact CG2-CE2 3.9Å; V32-L319 HydrophobicContact CG2-CD1 4.29Å
33	K	95.1	Very high	91.1	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-41.9	174.4	-170.9	70	172.7	-116.6	0	111.4	A29 V30 V31 R37 R38 F39 V221 T222 E223 Y225 V228	A29-K33 WeakPolarHBondContact O-CB 3.49Å; A29-K33 PolarHBondContact O-N 2.81Å; V30-K33 PolarHBondContact O-N 3.03Å; V31-K33 VanDerWaalsContact C-N 3.3Å; V31-K33 PolarHBondContact O-N 3.36Å; K33-R37 WeakPolarHBondContact O-CA 3.27Å; K33-R37 PolarHBondContact O-N 3.22Å; K33-R38 WeakPolarHBondContact CA-O 3.19Å; K33-R38 WeakPolarHBondContact CD-O 3.49Å; K33-F39 HydrophobicContact CD-CB 4.3Å; K33-V221 HydrophobicContact CB-CG1 4.08Å; K33-V221 WeakPolarHBondContact CE-O 3.37Å; K33-V221 HydrophobicContact CG-CG1 4.39Å; K33-V221 PolarHBondContact NZ-O 3.05Å; K33-T222 PolarHBondContact NZ-O 2.69Å; K33-E223 PolarHBondContact NZ-O 2.88Å; K33-Y225 VanDerWaalsContact O-CD2 3.27Å; K33-Y225 WeakPolarHBondContact O-CD2 3.45Å; K33-Y225 WeakPolarHBondContact O-CE2 3.31Å; K33-V228 HydrophobicContact CB-CG1 4.32Å; K33-V228 HydrophobicContact CB-CG2 4.39Å; K33-V228 HydrophobicContact CG-CB 4.32Å; K33-V228 HydrophobicContact CG-CG1 4.38Å; K33-V228 HydrophobicContact CG-CG2 3.99Å
34	Y	96.6	Very high	90.3	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-67.9	-40	176.5	-179.3	-119.2	0	0	0	113.6	V30 V31 K53 D55 I66 Y225 Q229 F232	V30-Y34 PolarHBondContact O-N 2.72Å; V31-Y34 PolarHBondContact O-N 3.48Å; V31-Y34 VanDerWaalsContact O-N 3.09Å; Y34-K53 HydrophobicContact CD1-CD 4.2Å; Y34-K53 HydrophobicContact CE1-CD 3.91Å; Y34-K53 HydrophobicContact CE1-CG 4.48Å; Y34-K53 WeakPolarHBondContact O-CE 3.49Å; Y34-K53 PolarHBondContact OH-NZ 2.97Å; Y34-D55 WeakPolarHBondContact CE2-OD2 3.38Å; Y34-D55 PolarHBondContact OH-OD2 2.97Å; Y34-I66 HydrophobicContact CD1-CD1 3.63Å; Y34-I66 HydrophobicContact CE1-CD1 3.88Å; Y34-Y225 HydrophobicContact CD2-CE2 4.48Å; Y34-Q229 HydrophobicContact CE2-CG 4.48Å; Y34-F232 HydrophobicContact CD1-CB 4.36Å; Y34-F232 AromaticContact CD1-CD1 3.69Å; Y34-F232 HydrophobicContact CD1-CD1 3.69Å; Y34-F232 AromaticContact CD1-CD2 3.69Å; Y34-F232 HydrophobicContact CD1-CD2 3.69Å; Y34-F232 AromaticContact CD1-CE1 3.77Å; Y34-F232 HydrophobicContact CD1-CE1 3.77Å; Y34-F232 AromaticContact CD1-CE2 3.78Å; Y34-F232 HydrophobicContact CD1-CE2 3.78Å; Y34-F232 AromaticContact CD1-CG 3.65Å; Y34-F232 HydrophobicContact CD1-CG 3.65Å; Y34-F232 AromaticContact CD1-CZ 3.81Å; Y34-F232 HydrophobicContact CD1-CZ 3.81Å; Y34-F232 HydrophobicContact CD2-CB 3.96Å; Y34-F232 AromaticContact CD2-CD2 3.51Å; Y34-F232 HydrophobicContact CD2-CD2 3.51Å; Y34-F232 HydrophobicContact CD2-CE2 4.14Å; Y34-F232 AromaticContact CD2-CG 3.81Å; Y34-F232 HydrophobicContact CD2-CG 3.81Å; Y34-F232 HydrophobicContact CE1-CB 3.99Å; Y34-F232 AromaticContact CE1-CD1 3.66Å; Y34-F232 HydrophobicContact CE1-CD1 3.66Å; Y34-F232 HydrophobicContact CE1-CD2 4.18Å; Y34-F232 HydrophobicContact CE1-CE1 4.13Å; Y34-F232 AromaticContact CE1-CG 3.68Å; Y34-F232 HydrophobicContact CE1-CG 3.68Å; Y34-F232 HydrophobicContact CE2-CB 3.56Å; Y34-F232 HydrophobicContact CE2-CD2 4.04Å; Y34-F232 AromaticContact CE2-CG 3.86Å; Y34-F232 HydrophobicContact CE2-CG 3.86Å; Y34-F232 HydrophobicContact CG-CB 4.35Å; Y34-F232 HydrophobicContact CG-CD1 4.21Å; Y34-F232 AromaticContact CG-CD2 3.31Å; Y34-F232 HydrophobicContact CG-CD2 3.31Å; Y34-F232 HydrophobicContact CG-CE1 4.34Å; Y34-F232 AromaticContact CG-CE2 3.49Å; Y34-F232 HydrophobicContact CG-CE2 3.49Å; Y34-F232 VanDerWaalsContact CG-CE2 3.49Å; Y34-F232 AromaticContact CG-CG 3.71Å; Y34-F232 HydrophobicContact CG-CG 3.71Å; Y34-F232 HydrophobicContact CG-CZ 4Å; Y34-F232 AromaticContact CZ-CG 3.78Å
35	L	94.3	Very high	89.2	Confident	37 Å²	37	47.2 Å²	47.2	19%	0.194	24%	0.237	C	C	.	.	H	α-helix	trans	-73.1	-50.1	-179.1	-67.8	173.9	0	0	0	112.3	V31 V32 Y51 K53 I66	V31-L35 HydrophobicContact CG1-CD1 3.61Å; V31-L35 HydrophobicContact CG1-CG 4.21Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 2.99Å; V32-L35 PolarHBondContact O-N 2.9Å; L35-Y51 HydrophobicContact CD1-CD1 3.75Å; L35-Y51 HydrophobicContact CD1-CD2 3.79Å; L35-Y51 HydrophobicContact CD1-CE1 4.35Å; L35-Y51 HydrophobicContact CD1-CE2 4.35Å; L35-Y51 HydrophobicContact CD1-CG 3.44Å; L35-Y51 VanDerWaalsContact CD1-CG 3.44Å; L35-K53 HydrophobicContact CD2-CB 3.75Å; L35-K53 HydrophobicContact CD2-CD 3.95Å; L35-K53 HydrophobicContact CD2-CG 4.47Å; L35-I66 HydrophobicContact CD2-CD1 3.97Å; L35-I66 HydrophobicContact CG-CD1 4.46Å
36	T	92.7	Very high	88	Confident	27 Å²	27	56.6 Å²	56.6	17%	0.166	27%	0.273	C	S	.	.	H	α-helix	trans	-98.4	-11.9	-168.3	71.1	0	0	0	0	114.1	V32 R38 L316 L319	V32-T36 HydrophobicContact CG1-CG2 4.17Å; V32-T36 WeakPolarHBondContact O-CB 3.43Å; V32-T36 WeakPolarHBondContact O-CG2 3.46Å; V32-T36 PolarHBondContact O-N 3.11Å; V32-T36 PolarHBondContact O-OG1 3.4Å; T36-R38 PolarHBondContact O-N 3.39Å; T36-R38 PolarHBondContact OG1-N 2.86Å; T36-R38 VanDerWaalsContact OG1-N 3.1Å; T36-R38 PolarHBondContact OG1-O 2.87Å; T36-L316 HydrophobicContact CG2-CD2 4.37Å; T36-L319 HydrophobicContact CG2-CD2 3.76Å
37	R	95.1	Very high	86.8	Confident	146 Å²	146	58.7 Å²	58.7	55%	0.551	28%	0.281	S	S	*	.	S	Bend	trans	60.9	8.8	-167	-45.6	-165.4	178.2	-134.8	-0.2	114.9	K33 Y225	K33-R37 WeakPolarHBondContact O-CA 3.27Å; K33-R37 PolarHBondContact O-N 3.22Å; R37-Y225 HydrophobicContact CB-CD2 3.95Å; R37-Y225 HydrophobicContact CB-CE2 4.16Å; R37-Y225 HydrophobicContact CB-CG 4.34Å; R37-Y225 HydrophobicContact CG-CD2 3.97Å; R37-Y225 HydrophobicContact CG-CE1 4.42Å; R37-Y225 HydrophobicContact CG-CE2 3.66Å; R37-Y225 HydrophobicContact CG-CG 4.47Å
38	R	92.6	Very high	85.9	Confident	187 Å²	187	61.5 Å²	61.5	71%	0.706	30%	0.301	S	S	*	.	S	Bend	trans	-116.1	147.9	-178.7	-63.6	173.5	179.1	170.6	-1	110.6	K33 T36	K33-R38 WeakPolarHBondContact CA-O 3.19Å; K33-R38 WeakPolarHBondContact CD-O 3.49Å; T36-R38 PolarHBondContact O-N 3.39Å; T36-R38 PolarHBondContact OG1-N 2.86Å; T36-R38 VanDerWaalsContact OG1-N 3.1Å; T36-R38 PolarHBondContact OG1-O 2.87Å
39	F	91.2	Very high	85.4	Confident	82 Å²	82	63 Å²	63	36%	0.36	31%	0.308	S	S	.	.			trans	-85.1	135.2	162.1	-176.2	-115.9	0	0	0	108.4	A29 K33 V41 V221 T222	A29-F39 HydrophobicContact CB-CE2 4.24Å; K33-F39 HydrophobicContact CD-CB 4.3Å; F39-V41 HydrophobicContact CD1-CG2 4.24Å; F39-V41 HydrophobicContact CE1-CG2 3.94Å; F39-V221 HydrophobicContact CD2-CG1 3.98Å; F39-V221 HydrophobicContact CE2-CG1 4.13Å; F39-T222 HydrophobicContact CD1-CG2 4.27Å; F39-T222 HydrophobicContact CE1-CG2 3.81Å; F39-T222 HydrophobicContact CE2-CG2 4.2Å; F39-T222 HydrophobicContact CZ-CG2 3.78Å
40	I	87.2	Confident	85.2	Confident	47 Å²	47	65.3 Å²	65.3	24%	0.241	32%	0.323	C	S	.	.			trans	-123.3	119.8	176.4	-52.6	-174.4	0	0	0	106.5	V32 E42 L319 L321	V32-I40 HydrophobicContact CG1-CB 4.22Å; V32-I40 HydrophobicContact CG1-CD1 3.63Å; V32-I40 HydrophobicContact CG1-CG1 3.78Å; I40-E42 WeakPolarHBondContact CG2-O 3.45Å; I40-L319 HydrophobicContact CD1-CD2 4.11Å; I40-L321 HydrophobicContact CD1-CD1 4.02Å; I40-L321 HydrophobicContact CD1-CD2 4.05Å; I40-L321 HydrophobicContact CG2-CD2 4.13Å
41	V	83.6	Confident	85.1	Confident	127 Å²	127	66 Å²	66	77%	0.77	33%	0.325	S	S	*	.	S	Bend	trans	-71.9	-38.1	-174.5	-173.1	0	0	0	0	111.2	F39	F39-V41 HydrophobicContact CD1-CG2 4.24Å; F39-V41 HydrophobicContact CE1-CG2 3.94Å
42	E	81.2	Confident	85.1	Confident	114 Å²	114	69.2 Å²	69.2	53%	0.533	35%	0.345	S	S	.	.			trans	-89.3	112.5	177.6	-67.1	177.9	-147	0	0	110.6	I40 A323	I40-E42 WeakPolarHBondContact CG2-O 3.45Å; E42-A323 WeakPolarHBondContact OE2-CA 3.3Å; E42-A323 WeakPolarHBondContact OE2-CB 3.48Å
43	Y	71.5	Confident	85.1	Confident	67 Å²	67	70.2 Å²	70.2	26%	0.263	35%	0.349	S	S	.	.			trans	-128.3	157.5	171.8	-169.7	-94.2	0	0	0	110.8	S28 V32 P45	S28-Y43 WeakPolarHBondContact OG-CE1 3.49Å; V32-Y43 HydrophobicContact CG2-CD2 4.06Å; V32-Y43 HydrophobicContact CG2-CE2 3.9Å; Y43-P45 VanDerWaalsContact O-CD 3.3Å; Y43-P45 WeakPolarHBondContact O-CD 3.21Å
44	A	73.9	Confident	85.1	Confident	48 Å²	48	73.1 Å²	73.1	40%	0.397	38%	0.375	S	S	.	.			trans	-100.7	92.2	178.9	0	0	0	0	0	110.6	Y46 L47	A44-Y46 PolarHBondContact O-N 3.4Å; A44-L47 WeakPolarHBondContact O-CB 3.42Å; A44-L47 PolarHBondContact O-N 3.16Å
45	P	67.3	Low	85	Confident	48 Å²	48	74.1 Å²	74.1	31%	0.312	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.3	-162.9	25.8	-36.8	0	0	0	115.7	Y43 D71	Y43-P45 VanDerWaalsContact O-CD 3.3Å; Y43-P45 WeakPolarHBondContact O-CD 3.21Å; P45-D71 HydrophobicContact CB-CB 4.42Å; P45-D71 PolarHBondContact O-N 3.03Å
46	Y	68.2	Low	84.9	Confident	197 Å²	197	75.6 Å²	75.6	77%	0.773	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	4.4	179.8	-48.8	-60.7	0	0	0	113.6	A44	A44-Y46 PolarHBondContact O-N 3.4Å
47	L	68.9	Low	84.9	Confident	59 Å²	59	74.3 Å²	74.3	31%	0.309	39%	0.386	S	S	.	.			trans	-88.1	105.5	175.4	-172.6	69.5	0	0	0	109.9	A44 D49	A44-L47 WeakPolarHBondContact O-CB 3.42Å; A44-L47 PolarHBondContact O-N 3.16Å; L47-D49 HydrophobicContact CD2-CB 4.42Å; L47-D49 HydrophobicContact CG-CB 4.25Å
48	S	75.9	Confident	84.6	Confident	61 Å²	61	72 Å²	72	43%	0.427	39%	0.385	S	S	.	.			trans	-82.7	136.6	155	-174.3	0	0	0	0	108.5	D68	S48-D68 VanDerWaalsContact CA-O 3.29Å; S48-D68 WeakPolarHBondContact CA-O 3.27Å; S48-D68 WeakPolarHBondContact CB-O 3.45Å; S48-D68 PolarHBondContact OG-O 3.43Å
49	D	82.1	Confident	84.2	Confident	36 Å²	36	66.4 Å²	66.4	19%	0.193	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	164.2	-173	-158.2	-10.1	0	0	0	110.2	L47 Y51 D68	L47-D49 HydrophobicContact CD2-CB 4.42Å; L47-D49 HydrophobicContact CG-CB 4.25Å; D49-Y51 HydrophobicContact CB-CE1 4.11Å; D49-Y51 HydrophobicContact CB-CE2 3.75Å; D49-Y51 VanDerWaalsContact CB-CZ 3.49Å; D49-Y51 VanDerWaalsContact CB-OH 3.28Å; D49-Y51 WeakPolarHBondContact CB-OH 3.22Å; D49-Y51 VanDerWaalsContact CG-CZ 3.45Å; D49-Y51 WeakPolarHBondContact OD2-CE1 3.37Å; D49-Y51 PolarHBondContact OD2-OH 2.96Å; D49-D68 PolarHBondContact N-O 3.32Å; D49-D68 PolarHBondContact O-N 2.9Å
50	S	88.3	Confident	83.9	Confident	74 Å²	74	64.7 Å²	64.7	52%	0.517	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109.1	179.8	-69.6	0	0	0	0	110.3	I66	S50-I66 CarbonylContact C-O 3.6Å; S50-I66 WeakPolarHBondContact CA-O 3.37Å
51	Y	93.7	Very high	84.1	Confident	15 Å²	15	68.2 Å²	68.2	6%	0.059	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.4	-174.9	-56.5	-69.9	0	0	0	111.3	V31 L35 D49 N65 I66 D68	V31-Y51 HydrophobicContact CG1-CD2 3.39Å; V31-Y51 HydrophobicContact CG1-CE2 3.6Å; V31-Y51 HydrophobicContact CG1-CG 4.32Å; L35-Y51 HydrophobicContact CD1-CD1 3.75Å; L35-Y51 HydrophobicContact CD1-CD2 3.79Å; L35-Y51 HydrophobicContact CD1-CE1 4.35Å; L35-Y51 HydrophobicContact CD1-CE2 4.35Å; L35-Y51 HydrophobicContact CD1-CG 3.44Å; L35-Y51 VanDerWaalsContact CD1-CG 3.44Å; D49-Y51 HydrophobicContact CB-CE1 4.11Å; D49-Y51 HydrophobicContact CB-CE2 3.75Å; D49-Y51 VanDerWaalsContact CB-CZ 3.49Å; D49-Y51 VanDerWaalsContact CB-OH 3.28Å; D49-Y51 WeakPolarHBondContact CB-OH 3.22Å; D49-Y51 VanDerWaalsContact CG-CZ 3.45Å; D49-Y51 WeakPolarHBondContact OD2-CE1 3.37Å; D49-Y51 PolarHBondContact OD2-OH 2.96Å; Y51-N65 CarbonylContact O-C 3.45Å; Y51-N65 WeakPolarHBondContact O-CA 3.42Å; Y51-I66 PolarHBondContact N-O 2.78Å; Y51-I66 PolarHBondContact O-N 3.46Å; Y51-D68 HydrophobicContact CD2-CB 4.44Å; Y51-D68 HydrophobicContact CE2-CB 4.13Å
52	T	94.4	Very high	84.6	Confident	69 Å²	69	62.3 Å²	62.3	42%	0.423	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.8	172.9	-60.9	0	0	0	0	109.8	T63 V64 N65	T52-T63 HydrophobicContact CG2-CG2 3.41Å; T52-T63 VanDerWaalsContact CG2-CG2 3.41Å; T52-V64 CarbonylContact C-O 3.6Å; T52-V64 WeakPolarHBondContact CA-O 3.38Å; T52-N65 WeakPolarHBondContact CG2-OD1 3.34Å; T52-N65 PolarHBondContact OG1-OD1 2.93Å
53	K	93.8	Very high	85.2	Confident	24 Å²	24	58.3 Å²	58.3	10%	0.104	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.9	178.4	171.1	162.2	170.9	-78.6	0	110.6	Y34 L35 D55 V64	Y34-K53 HydrophobicContact CD1-CD 4.2Å; Y34-K53 HydrophobicContact CE1-CD 3.91Å; Y34-K53 HydrophobicContact CE1-CG 4.48Å; Y34-K53 WeakPolarHBondContact O-CE 3.49Å; Y34-K53 PolarHBondContact OH-NZ 2.97Å; L35-K53 HydrophobicContact CD2-CB 3.75Å; L35-K53 HydrophobicContact CD2-CD 3.95Å; L35-K53 HydrophobicContact CD2-CG 4.47Å; K53-D55 IonicContact NZ-OD1 2.86Å; K53-D55 IonicContact NZ-OD2 2.73Å; K53-D55 PolarHBondContact NZ-OD2 3.42Å; K53-V64 PolarHBondContact N-O 3.23Å; K53-V64 PolarHBondContact O-N 3.32Å
54	A	94.4	Very high	86.3	Confident	70 Å²	70	55.1 Å²	55.1	58%	0.579	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	135	162.6	0	0	0	0	0	109.3	L62	A54-L62 WeakPolarHBondContact CA-O 3.39Å
55	D	94	Very high	87.4	Confident	22 Å²	22	54.5 Å²	54.5	12%	0.118	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	168.6	175.6	-151.8	5.4	0	0	0	109.9	Y34 K53 L62 H233	Y34-D55 WeakPolarHBondContact CE2-OD2 3.38Å; Y34-D55 PolarHBondContact OH-OD2 2.97Å; K53-D55 IonicContact NZ-OD1 2.86Å; K53-D55 IonicContact NZ-OD2 2.73Å; K53-D55 PolarHBondContact NZ-OD2 3.42Å; D55-L62 HydrophobicContact CB-CD1 4.39Å; D55-L62 PolarHBondContact N-O 3.27Å; D55-L62 PolarHBondContact O-N 3.17Å; D55-H233 IonicContact OD1-NE2 3.14Å; D55-H233 IonicContact OD2-CD2 3.31Å; D55-H233 IonicContact OD2-CE1 3.99Å; D55-H233 IonicContact OD2-NE2 2.59Å; D55-H233 PolarHBondContact OD2-NE2 3.04Å
56	S	92.3	Very high	88.8	Confident	67 Å²	67	52.3 Å²	52.3	47%	0.469	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.2	170.2	55.8	0	0	0	0	110.7	H60 H233	S56-H60 WeakPolarHBondContact CA-O 3.27Å; S56-H233 PolarHBondContact O-CE1 3.39Å
57	V	92.5	Very high	90.1	Very high	1 Å²	1	45 Å²	45	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.5	177.8	-175.5	0	0	0	0	107.7	G59 H60 L62 H233 A236 R237	V57-G59 PolarHBondContact O-N 3Å; V57-G59 VanDerWaalsContact O-N 3.11Å; V57-H60 PolarHBondContact N-O 3.2Å; V57-H60 WeakPolarHBondContact O-CB 3.39Å; V57-H60 PolarHBondContact O-N 3.12Å; V57-L62 HydrophobicContact CB-CD2 3.77Å; V57-L62 HydrophobicContact CG2-CD1 4.36Å; V57-L62 HydrophobicContact CG2-CD2 3.64Å; V57-L62 HydrophobicContact CG2-CG 4.22Å; V57-H233 HydrophobicContact CG1-CB 4.15Å; V57-H233 HydrophobicContact CG2-CB 4.36Å; V57-A236 HydrophobicContact CG1-CB 4.41Å; V57-A236 HydrophobicContact CG2-CB 4Å; V57-R237 HydrophobicContact CG1-CG 4.13Å
58	D	88.8	Confident	91.1	Very high	98 Å²	98	42.2 Å²	42.2	52%	0.524	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	41.3	179.9	-48.5	-28.3	0	0	0	113.3	H60 R237	D58-H60 VanDerWaalsContact C-N 3.31Å; D58-H60 PolarHBondContact O-CE1 3.41Å; D58-H60 PolarHBondContact O-N 3.22Å; D58-H60 PolarHBondContact O-ND1 2.99Å; D58-R237 IonicContact OD1-NE 2.99Å; D58-R237 WeakPolarHBondContact OD2-CD 3.29Å; D58-R237 WeakPolarHBondContact OD2-CG 3.18Å; D58-R237 IonicContact OD2-NE 2.65Å
59	G	85.9	Confident	91.6	Very high	69 Å²	69	39.8 Å²	39.8	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	-0.2	-178.6	0	0	0	0	0	116.1	V57	V57-G59 PolarHBondContact O-N 3Å; V57-G59 VanDerWaalsContact O-N 3.11Å
60	H	85.1	Confident	91.4	Very high	46 Å²	46	39.6 Å²	39.6	21%	0.213	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.5	179.1	-58.7	74	0	0	0	110.2	S56 V57 D58	S56-H60 WeakPolarHBondContact CA-O 3.27Å; V57-H60 PolarHBondContact N-O 3.2Å; V57-H60 WeakPolarHBondContact O-CB 3.39Å; V57-H60 PolarHBondContact O-N 3.12Å; D58-H60 VanDerWaalsContact C-N 3.31Å; D58-H60 PolarHBondContact O-CE1 3.41Å; D58-H60 PolarHBondContact O-N 3.22Å; D58-H60 PolarHBondContact O-ND1 2.99Å
61	E	90.9	Very high	90.4	Very high	121 Å²	121	37 Å²	37	57%	0.565	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.2	172	-65.3	175	-160.3	0	0	109.3	K7	K7-E61 IonicContact NZ-OE1 3.89Å; K7-E61 PolarHBondContact NZ-OE1 3.19Å
62	L	92.9	Very high	89.3	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.3	-173.6	64.2	76.9	0	0	0	113	N13 I15 A54 D55 V57 V64 A236 L240	N13-L62 HydrophobicContact CB-CB 4.05Å; N13-L62 WeakPolarHBondContact O-CA 3.24Å; N13-L62 VanDerWaalsContact O-CB 3.23Å; N13-L62 WeakPolarHBondContact O-CB 3.41Å; I15-L62 HydrophobicContact CD1-CD2 3.96Å; A54-L62 WeakPolarHBondContact CA-O 3.39Å; D55-L62 HydrophobicContact CB-CD1 4.39Å; D55-L62 PolarHBondContact N-O 3.27Å; D55-L62 PolarHBondContact O-N 3.17Å; V57-L62 HydrophobicContact CB-CD2 3.77Å; V57-L62 HydrophobicContact CG2-CD1 4.36Å; V57-L62 HydrophobicContact CG2-CD2 3.64Å; V57-L62 HydrophobicContact CG2-CG 4.22Å; L62-V64 HydrophobicContact CD1-CG2 3.38Å; L62-A236 HydrophobicContact CD2-CB 4.13Å; L62-L240 HydrophobicContact CD2-CD1 3.84Å
63	T	94.5	Very high	87.9	Confident	31 Å²	31	39.8 Å²	39.8	19%	0.19	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111	177.4	-63.5	0	0	0	0	108.9	V12 N13 T14 I15 T52	V12-T63 VanDerWaalsContact CG1-OG1 3.25Å; V12-T63 WeakPolarHBondContact CG1-OG1 3.15Å; N13-T63 PolarHBondContact O-N 3.18Å; T14-T63 WeakPolarHBondContact CA-O 3.28Å; T14-T63 HydrophobicContact CG2-CG2 4.48Å; I15-T63 PolarHBondContact N-O 3.25Å; T52-T63 HydrophobicContact CG2-CG2 3.41Å; T52-T63 VanDerWaalsContact CG2-CG2 3.41Å
64	V	95.5	Very high	87.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.7	171.4	-168.8	0	0	0	0	108.7	I17 T52 K53 L62 I66	I17-V64 HydrophobicContact CD1-CG1 3.67Å; I17-V64 HydrophobicContact CG1-CG1 4.1Å; T52-V64 CarbonylContact C-O 3.6Å; T52-V64 WeakPolarHBondContact CA-O 3.38Å; K53-V64 PolarHBondContact N-O 3.23Å; K53-V64 PolarHBondContact O-N 3.32Å; L62-V64 HydrophobicContact CD1-CG2 3.38Å; V64-I66 HydrophobicContact CG1-CD1 4.34Å; V64-I66 HydrophobicContact CG1-CG1 3.69Å
65	N	96.6	Very high	86.5	Confident	35 Å²	35	45.4 Å²	45.4	19%	0.187	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.7	160.1	-64.4	-32.7	0	0	0	108.2	T14 I15 N16 I17 Y51 T52 W83	T14-N65 VanDerWaalsContact CG2-ND2 3.28Å; T14-N65 WeakPolarHBondContact CG2-ND2 3.42Å; I15-N65 PolarHBondContact O-N 3.49Å; N16-N65 PolarHBondContact OD1-ND2 3.42Å; I17-N65 PolarHBondContact N-O 2.85Å; Y51-N65 CarbonylContact O-C 3.45Å; Y51-N65 WeakPolarHBondContact O-CA 3.42Å; T52-N65 WeakPolarHBondContact CG2-OD1 3.34Å; T52-N65 PolarHBondContact OG1-OD1 2.93Å; N65-W83 HydrophobicContact CB-CH2 3.84Å; N65-W83 HydrophobicContact CB-CZ2 3.93Å
66	I	96.2	Very high	86.2	Confident	1 Å²	1	49 Å²	49	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.5	-176.9	-50	172.1	0	0	0	108.3	I17 I19 V31 Y34 L35 S50 Y51 V64 F232	I17-I66 CarbonylContact O-C 3.56Å; I17-I66 VanDerWaalsContact O-CA 3.27Å; I17-I66 WeakPolarHBondContact O-CA 3.34Å; I19-I66 HydrophobicContact CD1-CG2 3.59Å; V31-I66 HydrophobicContact CG1-CG2 4.38Å; V31-I66 HydrophobicContact CG2-CG2 4.01Å; Y34-I66 HydrophobicContact CD1-CD1 3.63Å; Y34-I66 HydrophobicContact CE1-CD1 3.88Å; L35-I66 HydrophobicContact CD2-CD1 3.97Å; L35-I66 HydrophobicContact CG-CD1 4.46Å; S50-I66 CarbonylContact C-O 3.6Å; S50-I66 WeakPolarHBondContact CA-O 3.37Å; Y51-I66 PolarHBondContact N-O 2.78Å; Y51-I66 PolarHBondContact O-N 3.46Å; V64-I66 HydrophobicContact CG1-CD1 4.34Å; V64-I66 HydrophobicContact CG1-CG1 3.69Å; I66-F232 HydrophobicContact CD1-CD1 4.42Å; I66-F232 HydrophobicContact CD1-CE1 3.75Å; I66-F232 HydrophobicContact CD1-CZ 4.28Å; I66-F232 HydrophobicContact CG1-CE1 4.09Å; I66-F232 HydrophobicContact CG2-CE1 4.25Å
67	Q	94.6	Very high	86.1	Confident	45 Å²	45	47 Å²	47	21%	0.21	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111	168.7	-175.1	-175.2	29.3	0	0	108.2	I17 S18 I19 W83	I17-Q67 PolarHBondContact O-N 3.01Å; S18-Q67 PolarHBondContact OG-OE1 3.18Å; I19-Q67 PolarHBondContact N-O 2.99Å; Q67-W83 HydrophobicContact CB-CE3 4.1Å; Q67-W83 HydrophobicContact CB-CH2 3.85Å; Q67-W83 HydrophobicContact CB-CZ3 3.57Å
68	D	91.1	Very high	85.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.8	175.3	-165.4	27.3	0	0	0	108	S28 V31 S48 D49 Y51	S28-D68 WeakPolarHBondContact CA-OD2 3.42Å; S28-D68 WeakPolarHBondContact CB-OD2 3.46Å; S28-D68 PolarHBondContact N-OD1 2.81Å; S28-D68 PolarHBondContact OG-OD2 3.11Å; V31-D68 HydrophobicContact CG2-CB 4.13Å; S48-D68 VanDerWaalsContact CA-O 3.29Å; S48-D68 WeakPolarHBondContact CA-O 3.27Å; S48-D68 WeakPolarHBondContact CB-O 3.45Å; S48-D68 PolarHBondContact OG-O 3.43Å; D49-D68 PolarHBondContact N-O 3.32Å; D49-D68 PolarHBondContact O-N 2.9Å; Y51-D68 HydrophobicContact CD2-CB 4.44Å; Y51-D68 HydrophobicContact CE2-CB 4.13Å
69	T	86.3	Confident	86	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.055	28%	0.28	C	S	.	.			trans	-78.7	149.6	179	67.3	0	0	0	0	110.8	I19 I20 K27 I80	I19-T69 PolarHBondContact O-N 3.13Å; I19-T69 PolarHBondContact O-OG1 3.4Å; I19-T69 VanDerWaalsContact O-OG1 3.14Å; I20-T69 HydrophobicContact CG2-CG2 3.99Å; K27-T69 WeakPolarHBondContact CE-O 3.1Å; K27-T69 VanDerWaalsContact CE-OG1 3.24Å; K27-T69 WeakPolarHBondContact CE-OG1 3.3Å; T69-I80 HydrophobicContact CG2-CD1 3.62Å
70	S	76.6	Confident	86.3	Confident	33 Å²	33	47.5 Å²	47.5	23%	0.231	25%	0.248	C	C	.	.			trans	-60.3	161.6	175.7	36.6	0	0	0	0	112	K27 S72	K27-S70 PolarHBondContact NZ-O 2.98Å; S70-S72 PolarHBondContact O-N 2.96Å; S70-S72 PolarHBondContact OG-OG 2.88Å
71	D	67.8	Low	86.6	Confident	20 Å²	20	45.5 Å²	45.5	11%	0.107	24%	0.239	C	C	.	.	S	Bend	trans	-76.3	45.2	167.4	-83.7	-18.1	0	0	0	112.5	N23 G24 K27 P45	N23-D71 WeakPolarHBondContact CA-OD1 3.45Å; N23-D71 HydrophobicContact CB-CB 3.98Å; N23-D71 PolarHBondContact ND2-O 2.76Å; G24-D71 PolarHBondContact N-OD2 3.38Å; K27-D71 IonicContact NZ-OD1 2.72Å; K27-D71 PolarHBondContact NZ-OD1 2.86Å; P45-D71 HydrophobicContact CB-CB 4.42Å; P45-D71 PolarHBondContact O-N 3.03Å
72	S	70.6	Confident	86.7	Confident	46 Å²	46	45.1 Å²	45.1	32%	0.322	24%	0.236	S	C	.	.			trans	-100.1	139.2	169.9	54	0	0	0	0	110.5	S70 E74	S70-S72 PolarHBondContact O-N 2.96Å; S70-S72 PolarHBondContact OG-OG 2.88Å; S72-E74 PolarHBondContact OG-O 3.16Å
73	D	65.7	Low	86.6	Confident	96 Å²	96	49.1 Å²	49.1	51%	0.513	25%	0.251	S	S	.	.	S	Bend	trans	-78	-27.7	-178.5	-59	-57.6	0	0	0	112.9	R101	D73-R101 PolarHBondContact O-NH2 3.05Å
74	E	76.5	Confident	86.6	Confident	178 Å²	178	47.8 Å²	47.8	83%	0.832	24%	0.243	S	C	*	.			trans	-75.1	122.2	165.4	-69.6	178.5	-162.7	0	0	109.7	S72	S72-E74 PolarHBondContact OG-O 3.16Å
75	I	81.8	Confident	86.5	Confident	34 Å²	34	50.8 Å²	50.8	17%	0.174	26%	0.257	C	S	.	.			trans	-142.2	127.6	-179.4	-57.5	-180	0	0	0	106.9	L77 I80	I75-L77 HydrophobicContact CB-CD2 4.34Å; I75-L77 HydrophobicContact CG2-CD2 4.04Å; I75-L77 PolarHBondContact O-N 2.93Å; I75-L77 VanDerWaalsContact O-N 3.08Å; I75-I80 HydrophobicContact CG2-CD1 3.3Å
76	D	87.3	Confident	86.5	Confident	96 Å²	96	49.1 Å²	49.1	51%	0.513	25%	0.248	S	C	.	.			trans	-74.4	96.9	171.2	-166	-47.7	0	0	0	109.4	D78 D79 I80	D76-D78 VanDerWaalsContact C-N 3.26Å; D76-D78 PolarHBondContact O-N 3.29Å; D76-D78 WeakPolarHBondContact OD1-CA 3.23Å; D76-D78 WeakPolarHBondContact OD1-CB 3.38Å; D76-D78 PolarHBondContact OD1-N 2.91Å; D76-D78 VanDerWaalsContact OD1-N 3.08Å; D76-D79 PolarHBondContact OD1-N 3.36Å; D76-I80 WeakPolarHBondContact O-CG1 3.29Å; D76-I80 PolarHBondContact O-N 3.28Å
77	L	90	Very high	86.5	Confident	26 Å²	26	49 Å²	49	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-30.4	180	-58.6	-177.1	0	0	0	111.9	I75 I80 I81 L105 A108	I75-L77 HydrophobicContact CB-CD2 4.34Å; I75-L77 HydrophobicContact CG2-CD2 4.04Å; I75-L77 PolarHBondContact O-N 2.93Å; I75-L77 VanDerWaalsContact O-N 3.08Å; L77-I80 PolarHBondContact O-N 3.09Å; L77-I81 WeakPolarHBondContact O-CB 3.45Å; L77-I81 WeakPolarHBondContact O-CG1 3.32Å; L77-I81 PolarHBondContact O-N 3.38Å; L77-L105 HydrophobicContact CD1-CD2 4.08Å; L77-L105 HydrophobicContact CD2-CD2 3.56Å; L77-L105 HydrophobicContact CG-CD2 4.45Å; L77-A108 HydrophobicContact CD1-CB 3.84Å
78	D	90.1	Very high	86.7	Confident	77 Å²	77	47 Å²	47	41%	0.412	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-51.5	-178.7	-123.7	61.8	0	0	0	110	D76 I81 K82 Q112	D76-D78 VanDerWaalsContact C-N 3.26Å; D76-D78 PolarHBondContact O-N 3.29Å; D76-D78 WeakPolarHBondContact OD1-CA 3.23Å; D76-D78 WeakPolarHBondContact OD1-CB 3.38Å; D76-D78 PolarHBondContact OD1-N 2.91Å; D76-D78 VanDerWaalsContact OD1-N 3.08Å; D78-I81 PolarHBondContact O-N 3.3Å; D78-K82 VanDerWaalsContact C-CE 3.45Å; D78-K82 VanDerWaalsContact O-CD 3.31Å; D78-K82 WeakPolarHBondContact O-CD 3.45Å; D78-K82 WeakPolarHBondContact O-CE 3.35Å; D78-K82 WeakPolarHBondContact O-CG 3.37Å; D78-K82 PolarHBondContact O-N 2.93Å; D78-K82 VanDerWaalsContact OD2-CE 3.32Å; D78-K82 WeakPolarHBondContact OD2-CE 3.42Å; D78-K82 IonicContact OD2-NZ 2.78Å; D78-K82 PolarHBondContact OD2-NZ 3.47Å; D78-Q112 PolarHBondContact OD1-NE2 3.38Å
79	D	89.6	Confident	87	Confident	93 Å²	93	47 Å²	47	50%	0.497	24%	0.238	S	C	.	.	H	α-helix	trans	-71.4	-30.6	178.4	-84.3	11.1	0	0	0	113.2	D76 K82 W83	D76-D79 PolarHBondContact OD1-N 3.36Å; D79-K82 IonicContact OD1-NZ 3.54Å; D79-K82 PolarHBondContact OD1-NZ 3.04Å; D79-W83 WeakPolarHBondContact O-CB 3.2Å; D79-W83 PolarHBondContact O-N 3.16Å; D79-W83 VanDerWaalsContact O-N 3.09Å
80	I	92.3	Very high	87.5	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-45.7	171.9	-71.6	-179.9	0	0	0	111.5	I20 T69 I75 D76 L77 K82 W83 S84 I87	I20-I80 HydrophobicContact CG2-CD1 3.65Å; I20-I80 HydrophobicContact CG2-CG2 4.32Å; T69-I80 HydrophobicContact CG2-CD1 3.62Å; I75-I80 HydrophobicContact CG2-CD1 3.3Å; D76-I80 WeakPolarHBondContact O-CG1 3.29Å; D76-I80 PolarHBondContact O-N 3.28Å; L77-I80 PolarHBondContact O-N 3.09Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 2.84Å; I80-W83 PolarHBondContact O-N 2.93Å; I80-S84 WeakPolarHBondContact O-CB 3.4Å; I80-S84 PolarHBondContact O-N 2.93Å; I80-S84 PolarHBondContact O-OG 3.03Å; I80-I87 HydrophobicContact CG2-CD1 3.87Å; I80-I87 HydrophobicContact CG2-CG1 4.23Å
81	I	92.5	Very high	88.6	Confident	5 Å²	5	45 Å²	45	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-40.6	178.2	-70	167.9	0	0	0	110.7	L77 D78 W83 I87 I109 Q112 M116 P183	L77-I81 WeakPolarHBondContact O-CB 3.45Å; L77-I81 WeakPolarHBondContact O-CG1 3.32Å; L77-I81 PolarHBondContact O-N 3.38Å; D78-I81 PolarHBondContact O-N 3.3Å; I81-W83 VanDerWaalsContact C-N 3.35Å; I81-W83 PolarHBondContact O-N 3.44Å; I81-I87 HydrophobicContact CG1-CD1 4.21Å; I81-I109 HydrophobicContact CD1-CB 4.25Å; I81-I109 HydrophobicContact CD1-CG1 4Å; I81-I109 HydrophobicContact CD1-CG2 4.05Å; I81-I109 HydrophobicContact CG1-CG1 4.24Å; I81-I109 HydrophobicContact CG1-CG2 4.13Å; I81-Q112 HydrophobicContact CD1-CB 3.8Å; I81-Q112 HydrophobicContact CD1-CG 4.47Å; I81-Q112 VanDerWaalsContact CD1-OE1 3.26Å; I81-M116 HydrophobicContact CG2-SD 3.88Å; I81-P183 HydrophobicContact CG2-CG 4.31Å
82	K	91.2	Very high	90	Very high	112 Å²	112	44.1 Å²	44.1	49%	0.487	22%	0.22	S	C	.	.	H	α-helix	trans	-63.4	-35.7	176.2	-68.5	161	-145.9	155.6	0	113.1	D78 D79 I80	D78-K82 VanDerWaalsContact C-CE 3.45Å; D78-K82 VanDerWaalsContact O-CD 3.31Å; D78-K82 WeakPolarHBondContact O-CD 3.45Å; D78-K82 WeakPolarHBondContact O-CE 3.35Å; D78-K82 WeakPolarHBondContact O-CG 3.37Å; D78-K82 PolarHBondContact O-N 2.93Å; D78-K82 VanDerWaalsContact OD2-CE 3.32Å; D78-K82 WeakPolarHBondContact OD2-CE 3.42Å; D78-K82 IonicContact OD2-NZ 2.78Å; D78-K82 PolarHBondContact OD2-NZ 3.47Å; D79-K82 IonicContact OD1-NZ 3.54Å; D79-K82 PolarHBondContact OD1-NZ 3.04Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 2.84Å
83	W	91.8	Very high	91.3	Very high	86 Å²	86	42 Å²	42	33%	0.326	21%	0.205	S	C	.	.	H	α-helix	trans	-87.9	-32.5	-176.4	-174.3	92	0	0	0	113.7	N16 S18 N65 Q67 D79 I80 I81	N16-W83 HydrophobicContact CB-CD2 4.11Å; N16-W83 HydrophobicContact CB-CE3 3.8Å; N16-W83 HydrophobicContact CB-CH2 3.82Å; N16-W83 HydrophobicContact CB-CZ2 4.11Å; N16-W83 HydrophobicContact CB-CZ3 3.66Å; N16-W83 WeakPolarHBondContact CB-O 3.45Å; N16-W83 PolarHBondContact ND2-O 3.44Å; S18-W83 WeakPolarHBondContact OG-CZ3 3.44Å; N65-W83 HydrophobicContact CB-CH2 3.84Å; N65-W83 HydrophobicContact CB-CZ2 3.93Å; Q67-W83 HydrophobicContact CB-CE3 4.1Å; Q67-W83 HydrophobicContact CB-CH2 3.85Å; Q67-W83 HydrophobicContact CB-CZ3 3.57Å; D79-W83 WeakPolarHBondContact O-CB 3.2Å; D79-W83 PolarHBondContact O-N 3.16Å; D79-W83 VanDerWaalsContact O-N 3.09Å; I80-W83 PolarHBondContact O-N 2.93Å; I81-W83 VanDerWaalsContact C-N 3.35Å; I81-W83 PolarHBondContact O-N 3.44Å
84	S	94.2	Very high	92.8	Very high	4 Å²	4	39 Å²	39	3%	0.028	19%	0.19	C	C	.	.			trans	-73.2	146.6	-173.2	-64.4	0	0	0	0	113.8	S18 I80 I87	S18-S84 WeakPolarHBondContact CB-OG 3.45Å; S18-S84 PolarHBondContact OG-OG 2.87Å; I80-S84 WeakPolarHBondContact O-CB 3.4Å; I80-S84 PolarHBondContact O-N 2.93Å; I80-S84 PolarHBondContact O-OG 3.03Å; S84-I87 WeakPolarHBondContact OG-CG1 3.4Å
85	Q	93.7	Very high	93.8	Very high	62 Å²	62	31.9 Å²	31.9	29%	0.29	16%	0.16	S	C	.	.	S	Bend	trans	-105.7	-27.5	158.4	-63.9	171.6	26.6	0	0	110.7	I15 N16 P183 S184 C239	I15-Q85 HydrophobicContact CG2-CB 4.33Å; N16-Q85 HydrophobicContact CB-CG 4.4Å; N16-Q85 WeakPolarHBondContact O-CB 3.26Å; N16-Q85 PolarHBondContact O-N 3.07Å; Q85-P183 WeakPolarHBondContact O-CA 3.25Å; Q85-S184 PolarHBondContact O-N 2.85Å; Q85-C239 VanDerWaalsContact CB-SG 3.58Å; Q85-C239 PolarHBondContact O-SG 3.46Å; Q85-C239 VanDerWaalsContact O-SG 3.38Å
86	A	96.1	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.3	164.5	0	0	0	0	0	110.8	N16 I17 S18 S184 A235	N16-A86 PolarHBondContact O-N 2.68Å; I17-A86 WeakPolarHBondContact CA-O 3.4Å; I17-A86 HydrophobicContact CG1-CB 4.47Å; S18-A86 PolarHBondContact N-O 3.27Å; S18-A86 VanDerWaalsContact N-O 3.16Å; A86-S184 CarbonylContact C-O 3.57Å; A86-S184 WeakPolarHBondContact CA-O 3.13Å; A86-S184 VanDerWaalsContact CB-O 3.28Å; A86-S184 WeakPolarHBondContact CB-O 3.31Å; A86-A235 HydrophobicContact CB-CB 3.87Å
87	I	97.1	Very high	95	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.5	174.5	-64.6	172.6	0	0	0	108.1	S18 I20 I80 I81 S84 I89 I109 P183 S184 I185 I186	S18-I87 WeakPolarHBondContact O-CA 3.2Å; I20-I87 HydrophobicContact CD1-CG2 3.6Å; I20-I87 HydrophobicContact CG1-CG2 3.74Å; I80-I87 HydrophobicContact CG2-CD1 3.87Å; I80-I87 HydrophobicContact CG2-CG1 4.23Å; I81-I87 HydrophobicContact CG1-CD1 4.21Å; S84-I87 WeakPolarHBondContact OG-CG1 3.4Å; I87-I89 HydrophobicContact CG2-CD1 4.46Å; I87-I89 HydrophobicContact CG2-CG1 3.82Å; I87-I109 HydrophobicContact CD1-CD1 3.83Å; I87-I109 HydrophobicContact CD1-CG1 4.45Å; I87-I109 HydrophobicContact CD1-CG2 4.35Å; I87-I109 HydrophobicContact CG2-CD1 4.13Å; I87-P183 HydrophobicContact CD1-CB 4.05Å; I87-P183 HydrophobicContact CD1-CG 3.57Å; I87-P183 HydrophobicContact CG1-CB 4.01Å; I87-P183 HydrophobicContact CG1-CG 4.11Å; I87-S184 PolarHBondContact N-O 2.85Å; I87-I185 CarbonylContact O-C 3.56Å; I87-I185 WeakPolarHBondContact O-CA 3.15Å; I87-I186 PolarHBondContact O-N 3.22Å
88	I	98.2	Very high	95.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.4	172.2	-63.4	166	0	0	0	107.3	I17 S18 I19 I20 V188 I231 F232	I17-I88 HydrophobicContact CG2-CD1 3.61Å; I17-I88 HydrophobicContact CG2-CG1 3.97Å; S18-I88 PolarHBondContact O-N 3.14Å; I19-I88 WeakPolarHBondContact CA-O 3.21Å; I19-I88 HydrophobicContact CD1-CD1 4.5Å; I19-I88 HydrophobicContact CG1-CB 3.93Å; I19-I88 HydrophobicContact CG1-CD1 4.04Å; I19-I88 HydrophobicContact CG1-CG1 4.49Å; I19-I88 HydrophobicContact CG1-CG2 4.44Å; I20-I88 PolarHBondContact N-O 2.92Å; I88-V188 HydrophobicContact CG2-CB 4.39Å; I88-V188 HydrophobicContact CG2-CG2 3.77Å; I88-I231 HydrophobicContact CD1-CG2 3.69Å; I88-I231 HydrophobicContact CG1-CG2 4.02Å; I88-I231 HydrophobicContact CG2-CG2 4.2Å; I88-F232 HydrophobicContact CD1-CD1 4.25Å; I88-F232 HydrophobicContact CD1-CE1 4.17Å; I88-F232 HydrophobicContact CD1-CZ 4.48Å
89	I	97.7	Very high	95.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.5	179.2	-53.4	-177.5	0	0	0	107.7	I20 I87 A102 L105 V106 I109 I185 I186 L187 V188	I20-I89 HydrophobicContact CD1-CD1 4.36Å; I20-I89 HydrophobicContact CD1-CG1 4.01Å; I20-I89 HydrophobicContact CG1-CB 4.42Å; I20-I89 HydrophobicContact CG1-CG1 3.87Å; I20-I89 HydrophobicContact CG1-CG2 4.47Å; I20-I89 WeakPolarHBondContact O-CA 3.34Å; I87-I89 HydrophobicContact CG2-CD1 4.46Å; I87-I89 HydrophobicContact CG2-CG1 3.82Å; I89-A102 HydrophobicContact CG2-CB 3.67Å; I89-L105 HydrophobicContact CD1-CB 4.27Å; I89-L105 HydrophobicContact CG2-CB 4.27Å; I89-L105 HydrophobicContact CG2-CD1 4.35Å; I89-V106 HydrophobicContact CD1-CB 4.47Å; I89-V106 HydrophobicContact CD1-CG2 3.55Å; I89-I109 HydrophobicContact CD1-CD1 3.96Å; I89-I185 HydrophobicContact CD1-CG2 3.56Å; I89-I185 HydrophobicContact CG1-CG2 4.06Å; I89-I186 PolarHBondContact N-O 3.08Å; I89-L187 HydrophobicContact CB-CD1 4.36Å; I89-L187 HydrophobicContact CG2-CD1 4.31Å; I89-V188 PolarHBondContact O-N 3.39Å
90	L	97.4	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.3	-172.6	-165.4	73.2	0	0	0	111.4	I20 G21 S25 G26 K27 V30 V188 N190	I20-L90 PolarHBondContact O-N 3.25Å; G21-L90 WeakPolarHBondContact CA-O 3.36Å; S25-L90 WeakPolarHBondContact CB-O 3.25Å; G26-L90 VanDerWaalsContact C-CD2 3.4Å; K27-L90 HydrophobicContact CB-CD2 4.46Å; K27-L90 HydrophobicContact CG-CD2 4.21Å; K27-L90 VanDerWaalsContact N-CD2 3.31Å; V30-L90 HydrophobicContact CG2-CD1 4Å; V30-L90 HydrophobicContact CG2-CD2 3.7Å; L90-V188 WeakPolarHBondContact CA-O 3.26Å; L90-V188 HydrophobicContact CD1-CB 3.64Å; L90-V188 HydrophobicContact CD1-CG1 3.43Å; L90-V188 VanDerWaalsContact CD1-CG1 3.43Å; L90-N190 HydrophobicContact CD1-CB 3.99Å; L90-N190 HydrophobicContact CG-CB 4.31Å
91	F	98	Very high	96.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	168.6	168.5	75.5	-80.9	0	0	0	111.6	M93 S98 F99 A102 L187 V188 A189 N190 V200 A205 Y216	F91-M93 HydrophobicContact CD2-CE 4.49Å; F91-M93 HydrophobicContact CE2-CE 3.43Å; F91-M93 VanDerWaalsContact CE2-CE 3.43Å; F91-M93 HydrophobicContact CZ-CE 3.67Å; F91-S98 VanDerWaalsContact CB-O 3.31Å; F91-S98 WeakPolarHBondContact CB-O 3.17Å; F91-F99 HydrophobicContact CD1-CD2 4.23Å; F91-F99 HydrophobicContact CD2-CB 3.63Å; F91-F99 AromaticContact CD2-CD2 3.9Å; F91-F99 HydrophobicContact CD2-CD2 3.9Å; F91-F99 HydrophobicContact CD2-CG 4.19Å; F91-F99 AromaticContact CE1-CD2 3.93Å; F91-F99 HydrophobicContact CE1-CD2 3.93Å; F91-F99 HydrophobicContact CE1-CE2 4.4Å; F91-F99 HydrophobicContact CE2-CB 3.89Å; F91-F99 AromaticContact CE2-CD2 3.55Å; F91-F99 HydrophobicContact CE2-CD2 3.55Å; F91-F99 HydrophobicContact CE2-CE2 4.43Å; F91-F99 HydrophobicContact CE2-CG 4.01Å; F91-F99 HydrophobicContact CG-CB 4.28Å; F91-F99 HydrophobicContact CG-CD2 4.22Å; F91-F99 AromaticContact CZ-CD2 3.57Å; F91-F99 HydrophobicContact CZ-CD2 3.57Å; F91-F99 HydrophobicContact CZ-CE2 4.08Å; F91-F99 HydrophobicContact CZ-CG 4.46Å; F91-A102 HydrophobicContact CB-CB 4.07Å; F91-A102 HydrophobicContact CD1-CB 4.32Å; F91-A102 HydrophobicContact CG-CB 4.46Å; F91-L187 HydrophobicContact CD1-CD1 3.87Å; F91-L187 HydrophobicContact CD1-CG 4.32Å; F91-L187 HydrophobicContact CE1-CD1 3.95Å; F91-L187 HydrophobicContact CE1-CD2 4.19Å; F91-L187 HydrophobicContact CE1-CG 3.92Å; F91-V188 VanDerWaalsContact CD1-O 3.25Å; F91-V188 WeakPolarHBondContact CD1-O 3.41Å; F91-V188 PolarHBondContact N-O 2.91Å; F91-A189 HydrophobicContact CE1-CB 3.8Å; F91-A189 HydrophobicContact CE2-CB 4.23Å; F91-A189 HydrophobicContact CZ-CB 3.61Å; F91-N190 WeakPolarHBondContact O-CB 3.44Å; F91-N190 PolarHBondContact O-N 3.27Å; F91-V200 HydrophobicContact CE2-CB 4.25Å; F91-V200 HydrophobicContact CE2-CG1 3.94Å; F91-V200 HydrophobicContact CE2-CG2 4.42Å; F91-V200 HydrophobicContact CZ-CG1 4.49Å; F91-A205 HydrophobicContact CE1-CB 4.45Å; F91-A205 HydrophobicContact CZ-CB 3.69Å; F91-Y216 HydrophobicContact CE1-CE2 4.09Å; F91-Y216 HydrophobicContact CZ-CE2 4.14Å
92	S	97.6	Very high	96.6	Very high	2 Å²	2	37 Å²	37	1%	0.014	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.2	-178.9	-169.9	0	0	0	0	109.3	T94 S95 S98 K191	S92-T94 PolarHBondContact O-N 3.13Å; S92-T94 PolarHBondContact OG-OG1 3.04Å; S92-S95 PolarHBondContact O-N 2.89Å; S92-S98 PolarHBondContact N-OG 3.31Å; S92-S98 PolarHBondContact O-OG 3.04Å; S92-K191 WeakPolarHBondContact OG-CD 3.36Å; S92-K191 WeakPolarHBondContact OG-CE 3.5Å; S92-K191 PolarHBondContact OG-NZ 2.94Å
93	M	97.6	Very high	96.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-32	173.9	-65.1	-87.5	72.6	0	0	112	F91 S95 A189 N190 R198 L199 V200 E218	F91-M93 HydrophobicContact CD2-CE 4.49Å; F91-M93 HydrophobicContact CE2-CE 3.43Å; F91-M93 VanDerWaalsContact CE2-CE 3.43Å; F91-M93 HydrophobicContact CZ-CE 3.67Å; M93-S95 VanDerWaalsContact C-N 3.34Å; M93-S95 PolarHBondContact O-N 3.48Å; M93-A189 HydrophobicContact CE-CB 3.49Å; M93-A189 VanDerWaalsContact CE-CB 3.49Å; M93-A189 HydrophobicContact CG-CB 4.07Å; M93-A189 HydrophobicContact SD-CB 3.68Å; M93-N190 VanDerWaalsContact CG-O 3.26Å; M93-N190 WeakPolarHBondContact CG-O 3.46Å; M93-N190 PolarHBondContact N-O 3.01Å; M93-R198 PolarHBondContact SD-NH1 3.39Å; M93-L199 PolarHBondContact O-N 3.07Å; M93-V200 HydrophobicContact CE-CB 4.12Å; M93-V200 HydrophobicContact CE-CG1 4.28Å; M93-V200 PolarHBondContact O-N 2.78Å; M93-E218 VanDerWaalsContact SD-CD 3.59Å; M93-E218 HydrophobicContact SD-CG 4.35Å; M93-E218 VanDerWaalsContact SD-OE1 3.35Å
94	T	97.7	Very high	97.1	Very high	33 Å²	33	34.3 Å²	34.3	20%	0.202	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	9	177.8	70.9	0	0	0	0	115.6	S92 L194 F197 L199	S92-T94 PolarHBondContact O-N 3.13Å; S92-T94 PolarHBondContact OG-OG1 3.04Å; T94-L194 HydrophobicContact CG2-CB 3.46Å; T94-L194 VanDerWaalsContact CG2-CB 3.46Å; T94-L194 HydrophobicContact CG2-CD1 3.87Å; T94-L194 HydrophobicContact CG2-CG 4.31Å; T94-F197 VanDerWaalsContact CA-O 3.27Å; T94-F197 WeakPolarHBondContact CA-O 3.37Å; T94-F197 WeakPolarHBondContact CB-O 3.34Å; T94-F197 HydrophobicContact CG2-CB 3.76Å; T94-L199 WeakPolarHBondContact O-CD1 3.07Å
95	S	97.6	Very high	97.2	Very high	30 Å²	30	34.1 Å²	34.1	21%	0.21	15%	0.147	C	C	.	.			trans	-144	98.3	-179.6	-179.3	0	0	0	0	112.1	S92 M93 R97 S98 F99	S92-S95 PolarHBondContact O-N 2.89Å; M93-S95 VanDerWaalsContact C-N 3.34Å; M93-S95 PolarHBondContact O-N 3.48Å; S95-R97 PolarHBondContact O-N 2.74Å; S95-S98 WeakPolarHBondContact CB-OG 3.37Å; S95-S98 PolarHBondContact O-N 3.14Å; S95-S98 PolarHBondContact O-OG 3.42Å; S95-S98 PolarHBondContact OG-N 2.59Å; S95-F99 PolarHBondContact O-N 3.23Å
96	R	97.9	Very high	97.4	Very high	74 Å²	74	31.2 Å²	31.2	28%	0.279	13%	0.134	S	C	.	.	H	α-helix	trans	-51.5	-38.4	173.7	179.5	60.2	66.3	135.2	-11.2	112.9	S98 F99 Y100 L199 V200 E204	R96-S98 VanDerWaalsContact C-N 3.35Å; R96-S98 PolarHBondContact O-N 3.29Å; R96-F99 PolarHBondContact O-N 3.37Å; R96-Y100 VanDerWaalsContact CD-CE1 3.44Å; R96-Y100 HydrophobicContact CG-CD2 4.49Å; R96-Y100 HydrophobicContact CG-CE1 4.02Å; R96-Y100 HydrophobicContact CG-CE2 3.89Å; R96-Y100 PolarHBondContact O-N 3.23Å; R96-Y100 VanDerWaalsContact O-N 3.08Å; R96-L199 HydrophobicContact CB-CB 4.22Å; R96-L199 VanDerWaalsContact CZ-O 3.27Å; R96-L199 PolarHBondContact NE-O 3.49Å; R96-L199 PolarHBondContact NH2-O 2.73Å; R96-V200 HydrophobicContact CB-CG2 4.47Å; R96-E204 IonicContact CZ-OE1 2.9Å; R96-E204 IonicContact CZ-OE2 2.84Å; R96-E204 IonicContact NH1-OE1 3.97Å; R96-E204 PolarHBondContact NH1-OE1 2.94Å; R96-E204 IonicContact NH1-OE2 3.93Å; R96-E204 IonicContact NH2-OE1 2.83Å; R96-E204 PolarHBondContact NH2-OE1 2.84Å; R96-E204 IonicContact NH2-OE2 3.87Å; R96-E204 PolarHBondContact NH2-OE2 2.96Å
97	R	97.5	Very high	97.3	Very high	196 Å²	196	35.7 Å²	35.7	74%	0.74	16%	0.155	S	C	*	.	H	α-helix	trans	-62.3	-38.6	175.5	-67.7	-171.4	-179.8	108.9	0.2	112.8	M22 S95 F99 Y100 R101	M22-R97 HydrophobicContact CE-CB 4.28Å; M22-R97 HydrophobicContact SD-CB 3.84Å; S95-R97 PolarHBondContact O-N 2.74Å; R97-F99 VanDerWaalsContact C-N 3.28Å; R97-F99 PolarHBondContact O-N 2.75Å; R97-Y100 PolarHBondContact O-N 2.91Å; R97-R101 PolarHBondContact O-N 3.02Å
98	S	96.9	Very high	97.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-68.1	-29.3	177.8	69.9	0	0	0	0	112.7	F91 S92 S95 R96 A102	F91-S98 VanDerWaalsContact CB-O 3.31Å; F91-S98 WeakPolarHBondContact CB-O 3.17Å; S92-S98 PolarHBondContact N-OG 3.31Å; S92-S98 PolarHBondContact O-OG 3.04Å; S95-S98 WeakPolarHBondContact CB-OG 3.37Å; S95-S98 PolarHBondContact O-N 3.14Å; S95-S98 PolarHBondContact O-OG 3.42Å; S95-S98 PolarHBondContact OG-N 2.59Å; R96-S98 VanDerWaalsContact C-N 3.35Å; R96-S98 PolarHBondContact O-N 3.29Å; S98-A102 WeakPolarHBondContact O-CB 3.35Å; S98-A102 PolarHBondContact O-N 3.05Å
99	F	98.4	Very high	97	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-70.8	-49.1	172.6	179.4	-119.7	0	0	0	111.2	F91 S95 R96 R97 R101 A102 Q103 V200 E204 A205 F208	F91-F99 HydrophobicContact CD1-CD2 4.23Å; F91-F99 HydrophobicContact CD2-CB 3.63Å; F91-F99 AromaticContact CD2-CD2 3.9Å; F91-F99 HydrophobicContact CD2-CD2 3.9Å; F91-F99 HydrophobicContact CD2-CG 4.19Å; F91-F99 AromaticContact CE1-CD2 3.93Å; F91-F99 HydrophobicContact CE1-CD2 3.93Å; F91-F99 HydrophobicContact CE1-CE2 4.4Å; F91-F99 HydrophobicContact CE2-CB 3.89Å; F91-F99 AromaticContact CE2-CD2 3.55Å; F91-F99 HydrophobicContact CE2-CD2 3.55Å; F91-F99 HydrophobicContact CE2-CE2 4.43Å; F91-F99 HydrophobicContact CE2-CG 4.01Å; F91-F99 HydrophobicContact CG-CB 4.28Å; F91-F99 HydrophobicContact CG-CD2 4.22Å; F91-F99 AromaticContact CZ-CD2 3.57Å; F91-F99 HydrophobicContact CZ-CD2 3.57Å; F91-F99 HydrophobicContact CZ-CE2 4.08Å; F91-F99 HydrophobicContact CZ-CG 4.46Å; S95-F99 PolarHBondContact O-N 3.23Å; R96-F99 PolarHBondContact O-N 3.37Å; R97-F99 VanDerWaalsContact C-N 3.28Å; R97-F99 PolarHBondContact O-N 2.75Å; F99-R101 VanDerWaalsContact C-N 3.27Å; F99-R101 PolarHBondContact O-N 2.98Å; F99-A102 CarbonylContact O-C 3.51Å; F99-A102 WeakPolarHBondContact O-CA 3.36Å; F99-A102 WeakPolarHBondContact O-CB 3.5Å; F99-A102 PolarHBondContact O-N 3.13Å; F99-Q103 HydrophobicContact CD2-CG 4.47Å; F99-Q103 HydrophobicContact CE1-CG 4.28Å; F99-Q103 HydrophobicContact CE2-CG 4.19Å; F99-Q103 HydrophobicContact CZ-CG 4.09Å; F99-Q103 WeakPolarHBondContact O-CG 3.48Å; F99-Q103 PolarHBondContact O-N 3.43Å; F99-V200 HydrophobicContact CB-CG1 4.26Å; F99-V200 HydrophobicContact CB-CG2 3.7Å; F99-V200 HydrophobicContact CD1-CG1 3.78Å; F99-V200 HydrophobicContact CD1-CG2 4.27Å; F99-V200 HydrophobicContact CD2-CG1 4.14Å; F99-V200 HydrophobicContact CE1-CG1 4.11Å; F99-V200 HydrophobicContact CE2-CG1 4.45Å; F99-V200 HydrophobicContact CG-CG1 3.8Å; F99-V200 HydrophobicContact CG-CG2 4.13Å; F99-V200 HydrophobicContact CZ-CG1 4.44Å; F99-E204 HydrophobicContact CE1-CG 3.88Å; F99-E204 HydrophobicContact CZ-CG 4.24Å; F99-A205 HydrophobicContact CD2-CB 4.42Å; F99-A205 HydrophobicContact CE2-CB 3.72Å; F99-A205 HydrophobicContact CZ-CB 4.12Å; F99-F208 HydrophobicContact CE2-CD1 4.49Å; F99-F208 HydrophobicContact CZ-CB 4.13Å; F99-F208 HydrophobicContact CZ-CG 4.36Å
100	Y	98	Very high	96.7	Very high	115 Å²	115	40.4 Å²	40.4	45%	0.451	18%	0.182	S	C	.	.	H	α-helix	trans	-53.5	-45.3	173.9	-63.4	-17.5	0	0	0	111.8	R96 R97 A102 Q103 E104	R96-Y100 VanDerWaalsContact CD-CE1 3.44Å; R96-Y100 HydrophobicContact CG-CD2 4.49Å; R96-Y100 HydrophobicContact CG-CE1 4.02Å; R96-Y100 HydrophobicContact CG-CE2 3.89Å; R96-Y100 PolarHBondContact O-N 3.23Å; R96-Y100 VanDerWaalsContact O-N 3.08Å; R97-Y100 PolarHBondContact O-N 2.91Å; Y100-A102 VanDerWaalsContact C-N 3.3Å; Y100-A102 PolarHBondContact O-N 2.9Å; Y100-Q103 WeakPolarHBondContact O-CB 3.37Å; Y100-Q103 PolarHBondContact O-N 3.46Å; Y100-Q103 VanDerWaalsContact O-N 3.11Å; Y100-E104 WeakPolarHBondContact O-CG 3.25Å; Y100-E104 PolarHBondContact O-N 3.29Å
101	R	96.5	Very high	96.4	Very high	58 Å²	58	44.2 Å²	44.2	22%	0.219	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-31.5	175.2	-172.6	54.1	174.9	151.4	2.2	113	M22 D73 R97 F99 E104 L105	M22-R101 HydrophobicContact CB-CB 4.09Å; M22-R101 HydrophobicContact CB-CG 4.06Å; M22-R101 HydrophobicContact CG-CB 4.29Å; M22-R101 HydrophobicContact CG-CG 4.27Å; D73-R101 PolarHBondContact O-NH2 3.05Å; R97-R101 PolarHBondContact O-N 3.02Å; F99-R101 VanDerWaalsContact C-N 3.27Å; F99-R101 PolarHBondContact O-N 2.98Å; R101-E104 WeakPolarHBondContact CD-OE2 3.39Å; R101-E104 IonicContact CZ-OE2 3.58Å; R101-E104 IonicContact NE-OE2 3.68Å; R101-E104 IonicContact NH1-OE2 2.74Å; R101-E104 PolarHBondContact NH1-OE2 2.84Å; R101-L105 HydrophobicContact CG-CD1 4.37Å; R101-L105 WeakPolarHBondContact O-CB 3.21Å; R101-L105 WeakPolarHBondContact O-CD1 3.28Å; R101-L105 WeakPolarHBondContact O-CG 3.38Å; R101-L105 PolarHBondContact O-N 3.31Å
102	A	97.4	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.5	-34.4	172.6	0	0	0	0	0	112.5	I89 F91 S98 F99 Y100 L105 V106 L187	I89-A102 HydrophobicContact CG2-CB 3.67Å; F91-A102 HydrophobicContact CB-CB 4.07Å; F91-A102 HydrophobicContact CD1-CB 4.32Å; F91-A102 HydrophobicContact CG-CB 4.46Å; S98-A102 WeakPolarHBondContact O-CB 3.35Å; S98-A102 PolarHBondContact O-N 3.05Å; F99-A102 CarbonylContact O-C 3.51Å; F99-A102 WeakPolarHBondContact O-CA 3.36Å; F99-A102 WeakPolarHBondContact O-CB 3.5Å; F99-A102 PolarHBondContact O-N 3.13Å; Y100-A102 VanDerWaalsContact C-N 3.3Å; Y100-A102 PolarHBondContact O-N 2.9Å; A102-L105 PolarHBondContact O-N 3.07Å; A102-V106 WeakPolarHBondContact O-CG2 3.38Å; A102-V106 PolarHBondContact O-N 2.83Å; A102-L187 HydrophobicContact CB-CD1 3.97Å
103	Q	97.9	Very high	94.9	Very high	43 Å²	43	47.1 Å²	47.1	20%	0.201	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-50	174.4	-60.7	179.5	-90.9	0	0	111	F99 Y100 L105 V106 E107 F208	F99-Q103 HydrophobicContact CD2-CG 4.47Å; F99-Q103 HydrophobicContact CE1-CG 4.28Å; F99-Q103 HydrophobicContact CE2-CG 4.19Å; F99-Q103 HydrophobicContact CZ-CG 4.09Å; F99-Q103 WeakPolarHBondContact O-CG 3.48Å; F99-Q103 PolarHBondContact O-N 3.43Å; Y100-Q103 WeakPolarHBondContact O-CB 3.37Å; Y100-Q103 PolarHBondContact O-N 3.46Å; Y100-Q103 VanDerWaalsContact O-N 3.11Å; Q103-L105 PolarHBondContact O-N 2.7Å; Q103-V106 PolarHBondContact O-N 3.23Å; Q103-V106 VanDerWaalsContact O-N 3.13Å; Q103-E107 WeakPolarHBondContact O-CG 3.4Å; Q103-E107 PolarHBondContact O-N 2.86Å; Q103-F208 VanDerWaalsContact CA-CZ 3.48Å; Q103-F208 HydrophobicContact CB-CE1 4.13Å; Q103-F208 HydrophobicContact CB-CE2 3.74Å; Q103-F208 HydrophobicContact CB-CZ 3.53Å; Q103-F208 HydrophobicContact CG-CD1 4.04Å; Q103-F208 HydrophobicContact CG-CD2 3.93Å; Q103-F208 HydrophobicContact CG-CE1 3.77Å; Q103-F208 HydrophobicContact CG-CE2 3.61Å; Q103-F208 HydrophobicContact CG-CG 4.13Å; Q103-F208 HydrophobicContact CG-CZ 3.56Å
104	E	96.4	Very high	93.9	Very high	98 Å²	98	52.6 Å²	52.6	46%	0.458	25%	0.249	S	C	.	.	H	α-helix	trans	-52	-42.1	173	-68.8	169.2	-162.8	0	0	112.5	Y100 R101 A108	Y100-E104 WeakPolarHBondContact O-CG 3.25Å; Y100-E104 PolarHBondContact O-N 3.29Å; R101-E104 WeakPolarHBondContact CD-OE2 3.39Å; R101-E104 IonicContact CZ-OE2 3.58Å; R101-E104 IonicContact NE-OE2 3.68Å; R101-E104 IonicContact NH1-OE2 2.74Å; R101-E104 PolarHBondContact NH1-OE2 2.84Å; E104-A108 WeakPolarHBondContact O-CB 3.15Å; E104-A108 PolarHBondContact O-N 2.86Å
105	L	96.1	Very high	92.5	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-39.1	-179.6	-72	169.8	0	0	0	112.4	I20 L77 I89 R101 A102 Q103 I109	I20-L105 HydrophobicContact CD1-CB 4.27Å; I20-L105 HydrophobicContact CD1-CD1 4.11Å; I20-L105 HydrophobicContact CD1-CD2 4.19Å; I20-L105 HydrophobicContact CD1-CG 4.43Å; I20-L105 HydrophobicContact CG1-CD1 4.22Å; L77-L105 HydrophobicContact CD1-CD2 4.08Å; L77-L105 HydrophobicContact CD2-CD2 3.56Å; L77-L105 HydrophobicContact CG-CD2 4.45Å; I89-L105 HydrophobicContact CD1-CB 4.27Å; I89-L105 HydrophobicContact CG2-CB 4.27Å; I89-L105 HydrophobicContact CG2-CD1 4.35Å; R101-L105 HydrophobicContact CG-CD1 4.37Å; R101-L105 WeakPolarHBondContact O-CB 3.21Å; R101-L105 WeakPolarHBondContact O-CD1 3.28Å; R101-L105 WeakPolarHBondContact O-CG 3.38Å; R101-L105 PolarHBondContact O-N 3.31Å; A102-L105 PolarHBondContact O-N 3.07Å; Q103-L105 PolarHBondContact O-N 2.7Å; L105-I109 WeakPolarHBondContact O-CB 3.43Å; L105-I109 VanDerWaalsContact O-CD1 3.32Å; L105-I109 WeakPolarHBondContact O-CD1 3.35Å; L105-I109 WeakPolarHBondContact O-CG1 3.48Å; L105-I109 PolarHBondContact O-N 2.9Å
106	V	96.8	Very high	90.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-52.9	172.9	166.5	0	0	0	0	110.1	I89 A102 Q103 A108 I109 H110 I185 F208 H212 I214	I89-V106 HydrophobicContact CD1-CB 4.47Å; I89-V106 HydrophobicContact CD1-CG2 3.55Å; A102-V106 WeakPolarHBondContact O-CG2 3.38Å; A102-V106 PolarHBondContact O-N 2.83Å; Q103-V106 PolarHBondContact O-N 3.23Å; Q103-V106 VanDerWaalsContact O-N 3.13Å; V106-A108 PolarHBondContact O-N 2.92Å; V106-I109 PolarHBondContact O-N 2.83Å; V106-H110 PolarHBondContact O-CD2 3.16Å; V106-H110 PolarHBondContact O-N 2.86Å; V106-I185 HydrophobicContact CG2-CG2 4.34Å; V106-F208 HydrophobicContact CB-CE1 4.08Å; V106-F208 HydrophobicContact CB-CZ 4.06Å; V106-F208 HydrophobicContact CG1-CE1 4.11Å; V106-F208 HydrophobicContact CG1-CZ 4.04Å; V106-F208 HydrophobicContact CG2-CE1 4.06Å; V106-H212 HydrophobicContact CG1-CB 3.99Å; V106-I214 HydrophobicContact CG1-CD1 4.09Å; V106-I214 HydrophobicContact CG2-CD1 3.69Å
107	E	95.7	Very high	89.2	Confident	95 Å²	95	61.9 Å²	61.9	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-39.8	-177.3	-69.1	168.6	-160	0	0	112	Q103 S111	Q103-E107 WeakPolarHBondContact O-CG 3.4Å; Q103-E107 PolarHBondContact O-N 2.86Å; E107-S111 WeakPolarHBondContact O-CB 3.18Å; E107-S111 PolarHBondContact O-N 3.2Å; E107-S111 PolarHBondContact O-OG 2.88Å
108	A	93.9	Very high	87.3	Confident	31 Å²	31	61 Å²	61	26%	0.256	30%	0.295	S	S	.	.	H	α-helix	trans	-64.4	-47.2	174.8	0	0	0	0	0	112.6	L77 E104 V106 H110 S111 Q112	L77-A108 HydrophobicContact CD1-CB 3.84Å; E104-A108 WeakPolarHBondContact O-CB 3.15Å; E104-A108 PolarHBondContact O-N 2.86Å; V106-A108 PolarHBondContact O-N 2.92Å; A108-H110 PolarHBondContact O-N 2.9Å; A108-S111 PolarHBondContact O-N 2.86Å; A108-Q112 WeakPolarHBondContact O-CG 3.49Å; A108-Q112 PolarHBondContact O-N 3.39Å
109	I	93.8	Very high	85.1	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-39.1	-179.4	-67	162.1	0	0	0	111	I20 I81 I87 I89 L105 V106 S113 P183 I185	I20-I109 HydrophobicContact CD1-CD1 3.74Å; I81-I109 HydrophobicContact CD1-CB 4.25Å; I81-I109 HydrophobicContact CD1-CG1 4Å; I81-I109 HydrophobicContact CD1-CG2 4.05Å; I81-I109 HydrophobicContact CG1-CG1 4.24Å; I81-I109 HydrophobicContact CG1-CG2 4.13Å; I87-I109 HydrophobicContact CD1-CD1 3.83Å; I87-I109 HydrophobicContact CD1-CG1 4.45Å; I87-I109 HydrophobicContact CD1-CG2 4.35Å; I87-I109 HydrophobicContact CG2-CD1 4.13Å; I89-I109 HydrophobicContact CD1-CD1 3.96Å; L105-I109 WeakPolarHBondContact O-CB 3.43Å; L105-I109 VanDerWaalsContact O-CD1 3.32Å; L105-I109 WeakPolarHBondContact O-CD1 3.35Å; L105-I109 WeakPolarHBondContact O-CG1 3.48Å; L105-I109 PolarHBondContact O-N 2.9Å; V106-I109 PolarHBondContact O-N 2.83Å; I109-S113 VanDerWaalsContact O-CB 3.3Å; I109-S113 WeakPolarHBondContact O-CB 3.12Å; I109-S113 PolarHBondContact O-N 3.3Å; I109-S113 PolarHBondContact O-OG 2.9Å; I109-P183 HydrophobicContact CG2-CG 4.46Å; I109-I185 HydrophobicContact CB-CD1 4.02Å; I109-I185 HydrophobicContact CG2-CD1 3.66Å; I109-I185 HydrophobicContact CG2-CG1 4.17Å
110	H	92.1	Very high	82.9	Confident	67 Å²	67	73.5 Å²	73.5	31%	0.31	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-46.5	172.4	-76.9	-67.3	0	0	0	111.7	V106 A108 Q112 S113 E114 H212	V106-H110 PolarHBondContact O-CD2 3.16Å; V106-H110 PolarHBondContact O-N 2.86Å; A108-H110 PolarHBondContact O-N 2.9Å; H110-Q112 PolarHBondContact O-N 3.48Å; H110-S113 WeakPolarHBondContact O-CB 3.32Å; H110-S113 PolarHBondContact O-N 3.46Å; H110-E114 PolarHBondContact O-N 2.83Å; H110-H212 AromaticContact CD2-CD2 3.87Å
111	S	90.6	Very high	80.5	Confident	81 Å²	81	77.9 Å²	77.9	57%	0.566	38%	0.379	S	S	*	.	H	α-helix	trans	-60.6	-41.1	178.9	-59.4	0	0	0	0	112.9	E107 A108 L115	E107-S111 WeakPolarHBondContact O-CB 3.18Å; E107-S111 PolarHBondContact O-N 3.2Å; E107-S111 PolarHBondContact O-OG 2.88Å; A108-S111 PolarHBondContact O-N 2.86Å; S111-L115 PolarHBondContact O-N 2.87Å
112	Q	85	Confident	78.3	Confident	51 Å²	51	82.9 Å²	82.9	24%	0.238	41%	0.409	C	S	.	.	H	α-helix	trans	-71.8	-35.4	176.1	-70.2	179.7	-62.1	0	0	112	D78 I81 A108 H110 L115 M116	D78-Q112 PolarHBondContact OD1-NE2 3.38Å; I81-Q112 HydrophobicContact CD1-CB 3.8Å; I81-Q112 HydrophobicContact CD1-CG 4.47Å; I81-Q112 VanDerWaalsContact CD1-OE1 3.26Å; A108-Q112 WeakPolarHBondContact O-CG 3.49Å; A108-Q112 PolarHBondContact O-N 3.39Å; H110-Q112 PolarHBondContact O-N 3.48Å; Q112-L115 WeakPolarHBondContact O-CB 3.25Å; Q112-L115 PolarHBondContact O-N 2.9Å; Q112-M116 WeakPolarHBondContact O-CG 3.36Å; Q112-M116 PolarHBondContact O-N 3.34Å
113	S	79.3	Confident	75.6	Confident	12 Å²	12	88.9 Å²	88.9	8%	0.084	45%	0.452	C	S	.	.	H	α-helix	trans	-62.4	-44.2	174.8	-61.7	0	0	0	0	112.1	I109 H110 L115 M116 D117 P182	I109-S113 VanDerWaalsContact O-CB 3.3Å; I109-S113 WeakPolarHBondContact O-CB 3.12Å; I109-S113 PolarHBondContact O-N 3.3Å; I109-S113 PolarHBondContact O-OG 2.9Å; H110-S113 WeakPolarHBondContact O-CB 3.32Å; H110-S113 PolarHBondContact O-N 3.46Å; S113-L115 PolarHBondContact O-N 3.43Å; S113-M116 WeakPolarHBondContact O-CB 3.27Å; S113-M116 PolarHBondContact O-N 3.28Å; S113-M116 VanDerWaalsContact O-N 3.17Å; S113-D117 PolarHBondContact O-N 3.01Å; S113-P182 WeakPolarHBondContact OG-CB 3.09Å
114	E	75.8	Confident	73	Confident	115 Å²	115	90.1 Å²	90.1	54%	0.537	48%	0.476	S	S	.	.	H	α-helix	trans	-60.2	-34.1	174.7	-83.8	-158.3	-152.2	0	0	113.2	H110 M116 R118	H110-E114 PolarHBondContact O-N 2.83Å; E114-M116 VanDerWaalsContact C-N 3.32Å; E114-R118 WeakPolarHBondContact O-CG 3.31Å; E114-R118 PolarHBondContact O-N 3.35Å; E114-R118 IonicContact OE2-CZ 3.29Å; E114-R118 IonicContact OE2-NH2 3.23Å; E114-R118 PolarHBondContact OE2-NH2 3.29Å
115	L	70.1	Confident	70.7	Confident	130 Å²	130	89.9 Å²	89.9	68%	0.681	49%	0.491	S	S	*	.	H	α-helix	trans	-68	-34.2	178.5	-172.5	62.8	0	0	0	111.6	S111 Q112 S113 R118	S111-L115 PolarHBondContact O-N 2.87Å; Q112-L115 WeakPolarHBondContact O-CB 3.25Å; Q112-L115 PolarHBondContact O-N 2.9Å; S113-L115 PolarHBondContact O-N 3.43Å; L115-R118 PolarHBondContact O-N 3.34Å
116	M	62.6	Low	68	Low	86 Å²	86	98.9 Å²	98.9	42%	0.424	53%	0.533	S	S	.	.	H	α-helix	trans	-67.6	-35.6	178	-66.5	170.6	65.9	0	0	112.7	I81 Q112 S113 E114 R118 V180	I81-M116 HydrophobicContact CG2-SD 3.88Å; Q112-M116 WeakPolarHBondContact O-CG 3.36Å; Q112-M116 PolarHBondContact O-N 3.34Å; S113-M116 WeakPolarHBondContact O-CB 3.27Å; S113-M116 PolarHBondContact O-N 3.28Å; S113-M116 VanDerWaalsContact O-N 3.17Å; E114-M116 VanDerWaalsContact C-N 3.32Å; M116-R118 VanDerWaalsContact C-N 3.33Å; M116-V180 HydrophobicContact CE-CB 4.16Å
117	D	62	Low	65.6	Low	117 Å²	117	106.6 Å²	106.6	63%	0.626	57%	0.569	S	S	*	*	H	α-helix	trans	-76.1	-17.9	177.8	-81.8	-32.9	0	0	0	113.4	S113 K119	S113-D117 PolarHBondContact O-N 3.01Å; D117-K119 PolarHBondContact O-N 2.93Å
118	R	58.2	Low	62.9	Low	177 Å²	177	107.9 Å²	107.9	67%	0.668	59%	0.588	S	S	*	*	S	Bend	trans	-78.7	67.6	179.4	-71.9	-177.8	-165.1	-144.6	7.6	112.7	E114 L115 M116	E114-R118 WeakPolarHBondContact O-CG 3.31Å; E114-R118 PolarHBondContact O-N 3.35Å; E114-R118 IonicContact OE2-CZ 3.29Å; E114-R118 IonicContact OE2-NH2 3.23Å; E114-R118 PolarHBondContact OE2-NH2 3.29Å; L115-R118 PolarHBondContact O-N 3.34Å; M116-R118 VanDerWaalsContact C-N 3.33Å
119	K	50.2	Low	60.6	Low	177 Å²	177	114.5 Å²	114.5	77%	0.77	61%	0.611	S	S	*	*			trans	-38.1	120.6	171.7	-169.2	175	-170.8	171.8	0	112	D117 K121	D117-K119 PolarHBondContact O-N 2.93Å; K119-K121 PolarHBondContact O-N 2.85Å; K119-K121 VanDerWaalsContact O-N 3.13Å
120	P	52.1	Low	58.1	Low	88 Å²	88	119.3 Å²	119.3	57%	0.571	65%	0.645	S	S	*	*			trans	-66.3	115.5	-169.2	24	-33.8	0	0	0	111.8	L122	P120-L122 PolarHBondContact O-N 3.33Å
121	K	47.4	Very low	55.7	Low	207 Å²	207	124 Å²	124	90%	0.9	67%	0.672	S	S	*	*			trans	-74.6	87.5	170.9	-69.9	-175.7	-179.6	178.6	0	109.5	K119 S123	K119-K121 PolarHBondContact O-N 2.85Å; K119-K121 VanDerWaalsContact O-N 3.13Å; K121-S123 PolarHBondContact O-N 2.9Å; K121-S123 VanDerWaalsContact O-N 3.07Å
122	L	51.1	Low	53.5	Low	163 Å²	163	127.5 Å²	127.5	85%	0.853	69%	0.685	S	S	*	*			trans	-55.4	111.6	166.7	-81.7	140.8	0	0	0	109.6	P120 G124	P120-L122 PolarHBondContact O-N 3.33Å; L122-G124 PolarHBondContact O-N 3.28Å
123	S	39.9	Very low	51.6	Low	127 Å²	127	130.1 Å²	130.1	89%	0.888	71%	0.709	S	S	*	*			trans	-73.7	69.7	173.4	51.4	0	0	0	0	110.4	K121 A125	K121-S123 PolarHBondContact O-N 2.9Å; K121-S123 VanDerWaalsContact O-N 3.07Å; S123-A125 PolarHBondContact O-N 3.22Å
124	G	45	Very low	50.2	Low	69 Å²	69	137.8 Å²	137.8	71%	0.711	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-66.7	125.2	179.8	0	0	0	0	0	112.2	L122	L122-G124 PolarHBondContact O-N 3.28Å
125	A	46.2	Very low	48.8	Very low	93 Å²	93	140.5 Å²	140.5	77%	0.769	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-50	155.7	-172.8	0	0	0	0	0	116.6	S123	S123-A125 PolarHBondContact O-N 3.22Å
126	Q	40.3	Very low	47.3	Very low	189 Å²	189	140.2 Å²	140.2	88%	0.883	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-52.4	134.1	167.5	-61.5	172.3	-7.8	0	0	111.6
127	Q	46.4	Very low	46.4	Very low	163 Å²	163	142.4 Å²	142.4	76%	0.762	77%	0.767	S	S	*	*			trans	-160.3	75.6	158.8	-128.1	174.4	109.7	0	0	112.9
128	S	39.9	Very low	45.5	Very low	122 Å²	122	142.8 Å²	142.8	85%	0.853	77%	0.774	S	S	*	*			trans	-88.9	111.1	166.6	37.3	0	0	0	0	110
129	K	44	Very low	45	Very low	170 Å²	170	139.1 Å²	139.1	74%	0.739	78%	0.776	S	S	*	*			trans	-106.9	117.8	173.3	-78.1	-173.6	176.4	177.7	0	111.3
130	S	41.5	Very low	45.1	Very low	101 Å²	101	136 Å²	136	71%	0.706	78%	0.776	S	S	*	*			trans	33.9	125.2	143.7	60.7	0	0	0	0	120.3
131	N	42.8	Very low	44.8	Very low	165 Å²	165	136.3 Å²	136.3	88%	0.882	78%	0.78	S	S	*	*				-151.3	155.4	127.3	-99.6	-32.2	0	0	0	111.1
132	N	42.8	Very low	44.7	Very low	155 Å²	155	132.4 Å²	132.4	83%	0.829	77%	0.774	S	S	*	*			trans	-59	139.3	-167.7	-68.3	-32	0	0	0	115.3
133	S	47	Very low	44.5	Very low	107 Å²	107	129 Å²	129	75%	0.748	76%	0.764	S	S	*	*				-176.7	138.5	109.4	33.1	0	0	0	0	114.3
134	Q	49.6	Very low	44.8	Very low	173 Å²	173	130.8 Å²	130.8	81%	0.808	76%	0.762	S	S	*	*			trans	50.5	130.2	145.7	-64	177.9	-1.3	0	0	122.5
135	Q	45.3	Very low	44.7	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	75%	0.754	S	S	*	*			trans	69.1	152.9	148.5	-69.3	-171.9	-4.4	0	0	118.6
136	I	38.9	Very low	44.5	Very low	124 Å²	124	134 Å²	134	64%	0.636	76%	0.757	S	S	*	*			cis	-154.5	142.4	-24.2	-120.4	168	0	0	0	109.7
137	N	43.8	Very low	44.8	Very low	133 Å²	133	130 Å²	130	71%	0.711	75%	0.75	S	S	*	*			trans	53.8	156.1	155.3	-61.4	-4.9	0	0	0	125.1
138	T	42.7	Very low	44.8	Very low	125 Å²	125	126.9 Å²	126.9	77%	0.767	75%	0.746	S	S	*	*			trans	78	81.5	147.2	34.7	0	0	0	0	122.1
139	S	48.5	Very low	45.1	Very low	100 Å²	100	127.7 Å²	127.7	70%	0.699	75%	0.745	S	S	*	*				72.5	142.4	113.4	59.7	0	0	0	0	123.5
140	S	51.1	Low	45.1	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	74%	0.742	S	S	*	*			trans	65.3	138.4	165.6	35.4	0	0	0	0	117.8
141	S	46.6	Very low	45.1	Very low	95 Å²	95	125 Å²	125	66%	0.664	74%	0.743	S	S	*	*			cis	-166.2	156.6	-6.8	46.1	0	0	0	0	111.1
142	T	46	Very low	45.3	Very low	124 Å²	124	123 Å²	123	76%	0.761	74%	0.737	S	S	*	*			trans	39.1	136.9	145	55.6	0	0	0	0	120.6
143	S	47.1	Very low	45.3	Very low	93 Å²	93	122.6 Å²	122.6	65%	0.65	73%	0.734	S	S	*	*			cis	-177.6	147.9	19.7	26.4	0	0	0	0	113.2
144	L	46	Very low	44.9	Very low	163 Å²	163	121.7 Å²	121.7	85%	0.853	73%	0.726	S	S	*	*			trans	64.3	151.9	144.3	-61.9	167.9	0	0	0	120
145	S	42.1	Very low	44.5	Very low	78 Å²	78	120.6 Å²	120.6	55%	0.545	73%	0.726	S	S	.	*			cis	-177	162.7	-27.6	52.9	0	0	0	0	111.4
146	N	41.1	Very low	44.5	Very low	152 Å²	152	117.4 Å²	117.4	81%	0.813	72%	0.722	S	S	*	*			trans	71.6	151.5	162.3	-50.7	-22.9	0	0	0	116.9
147	S	46.8	Very low	44.9	Very low	106 Å²	106	119.4 Å²	119.4	74%	0.741	73%	0.732	S	S	*	*			cis	-170.7	175.5	-28.9	63.8	0	0	0	0	106.9
148	S	46.8	Very low	44.6	Very low	97 Å²	97	120.2 Å²	120.2	68%	0.678	74%	0.737	S	S	*	*			cis	-152.7	162.5	9.5	-51.5	0	0	0	0	111.2
149	V	45.8	Very low	44.8	Very low	138 Å²	138	121 Å²	121	84%	0.836	74%	0.741	S	S	*	*				27.9	137.4	128.8	-178.2	0	0	0	0	119.7
150	S	45.4	Very low	44.5	Very low	98 Å²	98	124.6 Å²	124.6	69%	0.685	75%	0.747	S	S	*	*			cis	-136.6	158.6	17.3	58.7	0	0	0	0	113.1
151	T	40.9	Very low	44.2	Very low	116 Å²	116	128 Å²	128	71%	0.712	75%	0.751	S	S	*	*				57.8	135	58.8	-1	0	0	0	0	114.1
152	V	47.2	Very low	43.7	Very low	125 Å²	125	128 Å²	128	76%	0.758	75%	0.75	S	S	*	*			cis	-136.1	177.4	0.8	-137	0	0	0	0	107.6
153	N	42.1	Very low	43.7	Very low	146 Å²	146	128.8 Å²	128.8	78%	0.781	75%	0.749	S	S	*	*			cis	-171.5	144.5	44.6	-164.9	30.9	0	0	0	111.2
154	P	39.8	Very low	43.1	Very low	88 Å²	88	130.2 Å²	130.2	57%	0.571	75%	0.754	S	S	*	*			trans	-108.4	-172.6	176	40.4	-33.5	0	0	0	114.7
155	N	39.6	Very low	43.1	Very low	150 Å²	150	132 Å²	132	80%	0.802	76%	0.758	S	S	*	*			trans	79	142.5	176.3	-55.2	-20.1	0	0	0	115.2
156	S	45.7	Very low	42.9	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	77%	0.771	S	S	*	*			cis	-164.1	-176.4	-0.8	-116.7	0	0	0	0	112.7
157	I	47.9	Very low	42.7	Very low	165 Å²	165	130 Å²	130	85%	0.846	77%	0.768	S	S	*	*			trans	95.7	124.4	162.7	-52.3	-176.7	0	0	0	117.5
158	N	38.1	Very low	42.8	Very low	151 Å²	151	128.6 Å²	128.6	81%	0.807	76%	0.758	S	S	*	*			trans	-80.5	150.1	172.2	-65.9	-51.4	0	0	0	112.4
159	T	46.2	Very low	42.7	Very low	140 Å²	140	132.2 Å²	132.2	86%	0.859	77%	0.769	S	S	*	*			trans	-143.5	137.9	130.3	-70.2	0	0	0	0	107.9
160	Q	41.8	Very low	43	Very low	177 Å²	177	135.1 Å²	135.1	83%	0.827	77%	0.765	S	S	*	*			trans	-81.6	143.2	177	-61.7	-173.6	18.4	0	0	111.2
161	H	44.2	Very low	42.8	Very low	183 Å²	183	142.4 Å²	142.4	85%	0.847	78%	0.777	S	S	*	*			trans	-141.1	133.3	146.9	-132.3	-80.9	0	0	0	109.9
162	S	36.6	Very low	42.8	Very low	93 Å²	93	142.5 Å²	142.5	65%	0.65	78%	0.783	S	S	*	*			trans	-93	-175.1	-178.8	58.6	0	0	0	0	111.5
163	L	47.4	Very low	42.8	Very low	141 Å²	141	140.2 Å²	140.2	74%	0.738	78%	0.777	S	S	*	*			trans	91.1	93.3	170.6	-59.1	154.1	0	0	0	117.2
164	T	32.5	Very low	42.6	Very low	124 Å²	124	140.1 Å²	140.1	76%	0.761	78%	0.776	S	S	*	*				49.8	103.8	129	59.5	0	0	0	0	119.6
165	Q	47.3	Very low	42.2	Very low	199 Å²	199	146.3 Å²	146.3	93%	0.93	79%	0.789	S	S	*	*				-151.8	145.9	129.6	-128.4	171.5	78.3	0	0	113.7	G167	Q165-G167 PolarHBondContact O-N 3.4Å
166	S	36.7	Very low	41.9	Very low	116 Å²	116	143.9 Å²	143.9	81%	0.811	78%	0.78	S	S	*	*			trans	-78.2	89	-178.8	-173	0	0	0	0	110.9	S168	S166-S168 PolarHBondContact O-N 2.83Å
167	G	38.8	Very low	41.6	Very low	74 Å²	74	144.2 Å²	144.2	76%	0.763	77%	0.772	S	S	*	*			trans	-70.5	67.1	178.4	0	0	0	0	0	113.4	Q165 L169	Q165-G167 PolarHBondContact O-N 3.4Å; G167-L169 PolarHBondContact O-N 3.29Å; G167-L169 VanDerWaalsContact O-N 3.11Å
168	S	47.1	Very low	41.1	Very low	75 Å²	75	142 Å²	142	52%	0.524	76%	0.762	S	S	.	*			trans	-60.7	111	-175.1	-166.1	0	0	0	0	112.6	S166 R170	S166-S168 PolarHBondContact O-N 2.83Å; S168-R170 PolarHBondContact O-N 2.86Å
169	L	46.1	Very low	41.3	Very low	174 Å²	174	140.9 Å²	140.9	91%	0.911	76%	0.761	S	S	*	*			trans	-70.4	70.2	176	-72.2	164.1	0	0	0	111.5	G167	G167-L169 PolarHBondContact O-N 3.29Å; G167-L169 VanDerWaalsContact O-N 3.11Å
170	R	51.1	Low	42.1	Very low	199 Å²	199	137.1 Å²	137.1	75%	0.751	74%	0.738	S	S	*	*			trans	-132.4	14.6	-176.5	-72.7	-171.1	174.7	-178.4	-0.4	115.3	S168	S168-R170 PolarHBondContact O-N 2.86Å
171	R	42.7	Very low	43.8	Very low	250 Å²	250	134.8 Å²	134.8	94%	0.943	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	3.8	-179.5	-78.4	-171.1	176	-91.4	1.7	115.9
172	S	40.8	Very low	45.9	Very low	118 Å²	118	128.1 Å²	128.1	83%	0.825	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	2.2	179.7	49.2	0	0	0	0	115.1
173	A	45.7	Very low	48.6	Very low	77 Å²	77	124.1 Å²	124.1	64%	0.636	67%	0.67	S	S	*	*	S	Bend	trans	-109.2	7.9	-169.8	0	0	0	0	0	115.5
174	L	38.1	Very low	50.8	Low	145 Å²	145	118.4 Å²	118.4	76%	0.759	64%	0.642	S	S	*	*			trans	-121.6	41.6	-173.9	-69.6	178.5	0	0	0	114.2
175	Y	32.2	Very low	53.9	Low	218 Å²	218	113.1 Å²	113.1	86%	0.855	61%	0.609	S	S	*	*			trans	-92.1	88.6	136.3	-72.3	-74.7	0	0	0	107.3	I177	Y175-I177 PolarHBondContact O-N 2.66Å
176	T	33.1	Very low	56.3	Low	98 Å²	98	103.7 Å²	103.7	60%	0.601	56%	0.564	S	S	*	*			trans	-64.8	95	162.2	-53.9	0	0	0	0	106.5	N178	T176-N178 WeakPolarHBondContact CG2-OD1 3.46Å; T176-N178 PolarHBondContact O-N 3.07Å
177	I	39	Very low	59.3	Low	111 Å²	111	98.1 Å²	98.1	57%	0.569	53%	0.526	S	S	*	.			trans	-61.3	96.9	158	-53.3	173.1	0	0	0	104	Y175 T179	Y175-I177 PolarHBondContact O-N 2.66Å; I177-T179 PolarHBondContact O-N 2.83Å
178	N	37.6	Very low	62.1	Low	120 Å²	120	94.6 Å²	94.6	64%	0.642	49%	0.489	S	S	*	.			trans	-57.6	111.6	169	-75.5	-23.1	0	0	0	105.2	T176 V180	T176-N178 WeakPolarHBondContact CG2-OD1 3.46Å; T176-N178 PolarHBondContact O-N 3.07Å; N178-V180 HydrophobicContact CB-CG2 4.12Å; N178-V180 PolarHBondContact O-N 2.86Å
179	T	43.5	Very low	64.6	Low	126 Å²	126	91 Å²	91	77%	0.773	46%	0.464	S	S	*	.			trans	-72.6	74.1	173.3	52.4	0	0	0	0	107.1	I177 K181	I177-T179 PolarHBondContact O-N 2.83Å; T179-K181 PolarHBondContact O-N 2.98Å
180	V	61.2	Low	67	Low	62 Å²	62	83 Å²	83	38%	0.376	42%	0.423	S	S	.	.			trans	-62	107.4	175.9	178.7	0	0	0	0	105.7	M116 N178	M116-V180 HydrophobicContact CE-CB 4.16Å; N178-V180 HydrophobicContact CB-CG2 4.12Å; N178-V180 PolarHBondContact O-N 2.86Å
181	K	78.7	Confident	69.2	Low	127 Å²	127	76.1 Å²	76.1	55%	0.552	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-52.5	130.4	174.9	179.4	-175.1	172.3	174.6	0	107.7	T179 S242	T179-K181 PolarHBondContact O-N 2.98Å; K181-S242 PolarHBondContact NZ-OG 3.25Å
182	P	87.4	Confident	71.8	Confident	43 Å²	43	65.3 Å²	65.3	28%	0.279	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-56.8	144.3	-179.5	22.1	-33.8	0	0	0	111.5	S113	S113-P182 WeakPolarHBondContact OG-CB 3.09Å
183	P	93.3	Very high	74.3	Confident	10 Å²	10	62.7 Å²	62.7	7%	0.065	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-65.2	145.4	-173.6	26.4	-34.7	0	0	0	111.6	I81 Q85 I87 I109 I185	I81-P183 HydrophobicContact CG2-CG 4.31Å; Q85-P183 WeakPolarHBondContact O-CA 3.25Å; I87-P183 HydrophobicContact CD1-CB 4.05Å; I87-P183 HydrophobicContact CD1-CG 3.57Å; I87-P183 HydrophobicContact CG1-CB 4.01Å; I87-P183 HydrophobicContact CG1-CG 4.11Å; I109-P183 HydrophobicContact CG2-CG 4.46Å; P183-I185 PolarHBondContact O-N 3.45Å
184	S	94.9	Very high	76.7	Confident	21 Å²	21	62.1 Å²	62.1	15%	0.147	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	113.3	177.6	-57.7	0	0	0	0	110.6	Q85 A86 I87	Q85-S184 PolarHBondContact O-N 2.85Å; A86-S184 CarbonylContact C-O 3.57Å; A86-S184 WeakPolarHBondContact CA-O 3.13Å; A86-S184 VanDerWaalsContact CB-O 3.28Å; A86-S184 WeakPolarHBondContact CB-O 3.31Å; I87-S184 PolarHBondContact N-O 2.85Å
185	I	96.9	Very high	79.3	Confident	13 Å²	13	60.1 Å²	60.1	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	139.8	-179.9	-55.1	174.8	0	0	0	110.5	I87 I89 V106 I109 P183 I214 P215	I87-I185 CarbonylContact O-C 3.56Å; I87-I185 WeakPolarHBondContact O-CA 3.15Å; I89-I185 HydrophobicContact CD1-CG2 3.56Å; I89-I185 HydrophobicContact CG1-CG2 4.06Å; V106-I185 HydrophobicContact CG2-CG2 4.34Å; I109-I185 HydrophobicContact CB-CD1 4.02Å; I109-I185 HydrophobicContact CG2-CD1 3.66Å; I109-I185 HydrophobicContact CG2-CG1 4.17Å; P183-I185 PolarHBondContact O-N 3.45Å; I185-I214 HydrophobicContact CB-CG2 3.89Å; I185-I214 HydrophobicContact CG2-CD1 4.06Å; I185-I214 HydrophobicContact CG2-CG2 4.13Å; I185-P215 WeakPolarHBondContact O-CD 3.24Å
186	I	98.2	Very high	82.4	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.4	165.9	-60.6	-175.8	0	0	0	108.8	I87 I89 V188 P215 Y217 A234 A235 L238	I87-I186 PolarHBondContact O-N 3.22Å; I89-I186 PolarHBondContact N-O 3.08Å; I186-V188 HydrophobicContact CG2-CG2 3.92Å; I186-P215 HydrophobicContact CG1-CB 4.49Å; I186-P215 HydrophobicContact CG1-CG 4.35Å; I186-P215 HydrophobicContact CG2-CB 4.41Å; I186-Y217 HydrophobicContact CG2-CD2 3.69Å; I186-Y217 HydrophobicContact CG2-CE2 3.87Å; I186-A234 HydrophobicContact CD1-CB 3.92Å; I186-A235 HydrophobicContact CD1-CB 3.93Å; I186-L238 HydrophobicContact CD1-CD1 3.96Å; I186-L238 HydrophobicContact CG1-CD1 3.97Å
187	L	98.6	Very high	85.4	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.1	173.4	-174.9	66.5	0	0	0	110.3	I89 F91 A102 F208 A209 I214 P215 Y216 Y217	I89-L187 HydrophobicContact CB-CD1 4.36Å; I89-L187 HydrophobicContact CG2-CD1 4.31Å; F91-L187 HydrophobicContact CD1-CD1 3.87Å; F91-L187 HydrophobicContact CD1-CG 4.32Å; F91-L187 HydrophobicContact CE1-CD1 3.95Å; F91-L187 HydrophobicContact CE1-CD2 4.19Å; F91-L187 HydrophobicContact CE1-CG 3.92Å; A102-L187 HydrophobicContact CB-CD1 3.97Å; L187-F208 HydrophobicContact CD2-CD1 4.03Å; L187-A209 HydrophobicContact CD2-CB 4.13Å; L187-I214 HydrophobicContact CB-CD1 3.86Å; L187-I214 HydrophobicContact CB-CG1 4.42Å; L187-P215 PolarHBondContact N-O 3.01Å; L187-Y216 HydrophobicContact CB-CD2 4.39Å; L187-Y216 HydrophobicContact CD2-CD2 4.03Å; L187-Y216 HydrophobicContact CD2-CE2 4.42Å; L187-Y216 HydrophobicContact CG-CD2 4.13Å; L187-Y216 WeakPolarHBondContact O-CA 2.88Å; L187-Y217 PolarHBondContact O-N 2.76Å; L187-Y217 VanDerWaalsContact O-N 3.16Å
188	V	98.6	Very high	88.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.4	-177.9	-177.6	0	0	0	0	111.4	I88 I89 L90 F91 I186 Y217 I219 I231	I88-V188 HydrophobicContact CG2-CB 4.39Å; I88-V188 HydrophobicContact CG2-CG2 3.77Å; I89-V188 PolarHBondContact O-N 3.39Å; L90-V188 WeakPolarHBondContact CA-O 3.26Å; L90-V188 HydrophobicContact CD1-CB 3.64Å; L90-V188 HydrophobicContact CD1-CG1 3.43Å; L90-V188 VanDerWaalsContact CD1-CG1 3.43Å; F91-V188 VanDerWaalsContact CD1-O 3.25Å; F91-V188 WeakPolarHBondContact CD1-O 3.41Å; F91-V188 PolarHBondContact N-O 2.91Å; I186-V188 HydrophobicContact CG2-CG2 3.92Å; V188-Y217 WeakPolarHBondContact CA-O 3.45Å; V188-I219 HydrophobicContact CG1-CD1 3.64Å; V188-I219 HydrophobicContact CG1-CG1 3.77Å; V188-I219 HydrophobicContact CG1-CG2 4.47Å; V188-I231 HydrophobicContact CB-CD1 4.33Å; V188-I231 HydrophobicContact CG1-CD1 3.52Å; V188-I231 HydrophobicContact CG2-CD1 3.77Å; V188-I231 HydrophobicContact CG2-CG1 4.08Å; V188-I231 HydrophobicContact CG2-CG2 3.9Å
189	A	98.4	Very high	91.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.5	171.8	0	0	0	0	0	110.4	F91 M93 Y216 Y217 E218 I219	F91-A189 HydrophobicContact CE1-CB 3.8Å; F91-A189 HydrophobicContact CE2-CB 4.23Å; F91-A189 HydrophobicContact CZ-CB 3.61Å; M93-A189 HydrophobicContact CE-CB 3.49Å; M93-A189 VanDerWaalsContact CE-CB 3.49Å; M93-A189 HydrophobicContact CG-CB 4.07Å; M93-A189 HydrophobicContact SD-CB 3.68Å; A189-Y216 HydrophobicContact CB-CE2 3.75Å; A189-Y216 VanDerWaalsContact CB-OH 3.25Å; A189-Y216 WeakPolarHBondContact CB-OH 3.16Å; A189-Y217 PolarHBondContact N-O 2.9Å; A189-E218 HydrophobicContact CB-CB 4.43Å; A189-E218 HydrophobicContact CB-CG 4.04Å; A189-E218 CarbonylContact O-C 3.59Å; A189-E218 WeakPolarHBondContact O-CA 3.13Å; A189-I219 PolarHBondContact O-N 3.46Å
190	N	98	Very high	93.7	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.032	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	155.5	177.1	-169.7	16.9	0	0	0	111.8	S25 L90 F91 M93 I219 V221	S25-N190 PolarHBondContact O-ND2 3.46Å; L90-N190 HydrophobicContact CD1-CB 3.99Å; L90-N190 HydrophobicContact CG-CB 4.31Å; F91-N190 WeakPolarHBondContact O-CB 3.44Å; F91-N190 PolarHBondContact O-N 3.27Å; M93-N190 VanDerWaalsContact CG-O 3.26Å; M93-N190 WeakPolarHBondContact CG-O 3.46Å; M93-N190 PolarHBondContact N-O 3.01Å; N190-I219 CarbonylContact C-O 3.52Å; N190-I219 HydrophobicContact CB-CG1 4.43Å; N190-V221 WeakPolarHBondContact OD1-CG2 3.4Å
191	K	96.6	Very high	95.4	Very high	53 Å²	53	56.4 Å²	56.4	23%	0.23	26%	0.263	C	S	.	.			trans	70.6	43.6	175.9	-42.6	178.9	-158	152.7	0	113.7	G24 S92 D193 L194 I219	G24-K191 PolarHBondContact O-NZ 3.36Å; S92-K191 WeakPolarHBondContact OG-CD 3.36Å; S92-K191 WeakPolarHBondContact OG-CE 3.5Å; S92-K191 PolarHBondContact OG-NZ 2.94Å; K191-D193 WeakPolarHBondContact CA-OD1 3.4Å; K191-D193 PolarHBondContact O-N 2.98Å; K191-L194 HydrophobicContact CB-CB 4.46Å; K191-L194 HydrophobicContact CB-CD1 4.02Å; K191-L194 HydrophobicContact CB-CG 4.19Å; K191-L194 HydrophobicContact CD-CD1 4.05Å; K191-L194 PolarHBondContact O-N 3.11Å; K191-I219 PolarHBondContact N-O 2.95Å
192	S	96.3	Very high	96.3	Very high	24 Å²	24	55.4 Å²	55.4	17%	0.168	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.2	172.6	36.2	0	0	0	0	114	L194 I219 T220	S192-L194 VanDerWaalsContact C-N 3.27Å; S192-L194 PolarHBondContact O-N 3.04Å; S192-I219 PolarHBondContact N-O 3.42Å; S192-I219 PolarHBondContact OG-O 2.74Å; S192-I219 VanDerWaalsContact OG-O 3.05Å; S192-T220 PolarHBondContact OG-OG1 3.17Å
193	D	95	Very high	96.7	Very high	62 Å²	62	56.8 Å²	56.8	33%	0.332	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-30.7	168	52.4	-25.4	0	0	0	113.3	K191 E195 T220 T222	K191-D193 WeakPolarHBondContact CA-OD1 3.4Å; K191-D193 PolarHBondContact O-N 2.98Å; D193-E195 PolarHBondContact O-N 2.98Å; D193-T220 HydrophobicContact CB-CG2 3.59Å; D193-T220 PolarHBondContact N-OG1 3.41Å; D193-T222 PolarHBondContact OD2-OG1 2.82Å
194	L	94.7	Very high	97	Very high	65 Å²	65	58.9 Å²	58.9	34%	0.34	28%	0.275	S	S	.	.			trans	-85	43.9	-175.2	-59.3	-174.1	0	0	0	112.8	T94 K191 S192 R196 F197 R198	T94-L194 HydrophobicContact CG2-CB 3.46Å; T94-L194 VanDerWaalsContact CG2-CB 3.46Å; T94-L194 HydrophobicContact CG2-CD1 3.87Å; T94-L194 HydrophobicContact CG2-CG 4.31Å; K191-L194 HydrophobicContact CB-CB 4.46Å; K191-L194 HydrophobicContact CB-CD1 4.02Å; K191-L194 HydrophobicContact CB-CG 4.19Å; K191-L194 HydrophobicContact CD-CD1 4.05Å; K191-L194 PolarHBondContact O-N 3.11Å; S192-L194 VanDerWaalsContact C-N 3.27Å; S192-L194 PolarHBondContact O-N 3.04Å; L194-R196 VanDerWaalsContact C-N 3.26Å; L194-R196 PolarHBondContact O-N 3.47Å; L194-F197 HydrophobicContact CB-CD2 4.28Å; L194-F197 CarbonylContact O-C 3.59Å; L194-F197 WeakPolarHBondContact O-CA 3.39Å; L194-F197 PolarHBondContact O-N 3.33Å; L194-R198 PolarHBondContact O-N 3.44Å
195	E	93.8	Very high	97.1	Very high	104 Å²	104	57.9 Å²	57.9	49%	0.486	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-55.3	-37.1	-174.7	-167.1	58.6	-138.2	0	0	113	D193 F197 R198	D193-E195 PolarHBondContact O-N 2.98Å; E195-F197 PolarHBondContact O-N 3.39Å; E195-R198 WeakPolarHBondContact O-CB 3.37Å; E195-R198 PolarHBondContact O-N 2.86Å; E195-R198 VanDerWaalsContact OE1-CD 3.25Å; E195-R198 WeakPolarHBondContact OE1-CD 3.27Å; E195-R198 IonicContact OE1-CZ 3.9Å; E195-R198 IonicContact OE1-NE 3.67Å; E195-R198 PolarHBondContact OE1-NE 2.83Å; E195-R198 IonicContact OE2-CZ 3.57Å; E195-R198 VanDerWaalsContact OE2-CZ 3.23Å; E195-R198 IonicContact OE2-NE 2.92Å; E195-R198 PolarHBondContact OE2-NE 3.28Å; E195-R198 IonicContact OE2-NH2 2.75Å; E195-R198 PolarHBondContact OE2-NH2 2.9Å
196	R	96.5	Very high	97.2	Very high	240 Å²	240	60.1 Å²	60.1	91%	0.906	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-60.8	-15.8	173.9	-68.5	-178.2	179.4	-92.3	0.3	114.3	L194	L194-R196 VanDerWaalsContact C-N 3.26Å; L194-R196 PolarHBondContact O-N 3.47Å
197	F	96.5	Very high	97.2	Very high	137 Å²	137	65.7 Å²	65.7	60%	0.601	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-118.7	10.4	179.4	-55.9	-75.8	0	0	0	112.1	T94 L194 E195 L199	T94-F197 VanDerWaalsContact CA-O 3.27Å; T94-F197 WeakPolarHBondContact CA-O 3.37Å; T94-F197 WeakPolarHBondContact CB-O 3.34Å; T94-F197 HydrophobicContact CG2-CB 3.76Å; L194-F197 HydrophobicContact CB-CD2 4.28Å; L194-F197 CarbonylContact O-C 3.59Å; L194-F197 WeakPolarHBondContact O-CA 3.39Å; L194-F197 PolarHBondContact O-N 3.33Å; E195-F197 PolarHBondContact O-N 3.39Å; F197-L199 PolarHBondContact O-N 3.08Å
198	R	97.9	Very high	97.2	Very high	55 Å²	55	66.6 Å²	66.6	21%	0.208	31%	0.308	C	S	.	.			trans	-62.3	121.9	179.8	-176.8	-176.2	-74.3	-107	6.5	110.3	M93 L194 E195 V200 E218	M93-R198 PolarHBondContact SD-NH1 3.39Å; L194-R198 PolarHBondContact O-N 3.44Å; E195-R198 WeakPolarHBondContact O-CB 3.37Å; E195-R198 PolarHBondContact O-N 2.86Å; E195-R198 VanDerWaalsContact OE1-CD 3.25Å; E195-R198 WeakPolarHBondContact OE1-CD 3.27Å; E195-R198 IonicContact OE1-CZ 3.9Å; E195-R198 IonicContact OE1-NE 3.67Å; E195-R198 PolarHBondContact OE1-NE 2.83Å; E195-R198 IonicContact OE2-CZ 3.57Å; E195-R198 VanDerWaalsContact OE2-CZ 3.23Å; E195-R198 IonicContact OE2-NE 2.92Å; E195-R198 PolarHBondContact OE2-NE 3.28Å; E195-R198 IonicContact OE2-NH2 2.75Å; E195-R198 PolarHBondContact OE2-NH2 2.9Å; R198-V200 VanDerWaalsContact CD-O 3.27Å; R198-V200 WeakPolarHBondContact CD-O 3.47Å; R198-V200 WeakPolarHBondContact CG-O 3.45Å; R198-E218 IonicContact CZ-OE1 3.04Å; R198-E218 IonicContact CZ-OE2 3.65Å; R198-E218 IonicContact NH1-OE1 3.59Å; R198-E218 PolarHBondContact NH1-OE1 3.31Å; R198-E218 IonicContact NH1-OE2 2.98Å; R198-E218 PolarHBondContact NH1-OE2 3.43Å; R198-E218 IonicContact NH2-OE1 3.4Å; R198-E218 IonicContact NH2-OE2 2.83Å; R198-E218 PolarHBondContact NH2-OE2 3.21Å
199	L	98	Very high	97.2	Very high	97 Å²	97	66.7 Å²	66.7	51%	0.508	31%	0.309	S	S	.	.			trans	-111.6	-2.7	177.2	-61.5	-174.2	0	0	0	113.1	M93 T94 R96 F197	M93-L199 PolarHBondContact O-N 3.07Å; T94-L199 WeakPolarHBondContact O-CD1 3.07Å; R96-L199 HydrophobicContact CB-CB 4.22Å; R96-L199 VanDerWaalsContact CZ-O 3.27Å; R96-L199 PolarHBondContact NE-O 3.49Å; R96-L199 PolarHBondContact NH2-O 2.73Å; F197-L199 PolarHBondContact O-N 3.08Å
200	V	98.1	Very high	97.2	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.006	34%	0.336	C	S	.	.	S	Bend	trans	-133.1	126.1	-179.9	-178.4	0	0	0	0	108	F91 M93 R96 F99 R198 A205	F91-V200 HydrophobicContact CE2-CB 4.25Å; F91-V200 HydrophobicContact CE2-CG1 3.94Å; F91-V200 HydrophobicContact CE2-CG2 4.42Å; F91-V200 HydrophobicContact CZ-CG1 4.49Å; M93-V200 HydrophobicContact CE-CB 4.12Å; M93-V200 HydrophobicContact CE-CG1 4.28Å; M93-V200 PolarHBondContact O-N 2.78Å; R96-V200 HydrophobicContact CB-CG2 4.47Å; F99-V200 HydrophobicContact CB-CG1 4.26Å; F99-V200 HydrophobicContact CB-CG2 3.7Å; F99-V200 HydrophobicContact CD1-CG1 3.78Å; F99-V200 HydrophobicContact CD1-CG2 4.27Å; F99-V200 HydrophobicContact CD2-CG1 4.14Å; F99-V200 HydrophobicContact CE1-CG1 4.11Å; F99-V200 HydrophobicContact CE2-CG1 4.45Å; F99-V200 HydrophobicContact CG-CG1 3.8Å; F99-V200 HydrophobicContact CG-CG2 4.13Å; F99-V200 HydrophobicContact CZ-CG1 4.44Å; R198-V200 VanDerWaalsContact CD-O 3.27Å; R198-V200 WeakPolarHBondContact CD-O 3.47Å; R198-V200 WeakPolarHBondContact CG-O 3.45Å; V200-A205 HydrophobicContact CG1-CB 4.26Å
201	Q	97.1	Very high	97.1	Very high	126 Å²	126	76.9 Å²	76.9	59%	0.589	36%	0.364	S	S	*	.			trans	-75.7	149.2	-177.9	-61.9	-171.1	14.5	0	0	110.6	T203 E204 A205	Q201-T203 VanDerWaalsContact C-N 3.33Å; Q201-T203 PolarHBondContact O-N 3.06Å; Q201-E204 HydrophobicContact CB-CB 4.03Å; Q201-E204 PolarHBondContact N-OE2 3.04Å; Q201-E204 VanDerWaalsContact N-OE2 3.14Å; Q201-E204 PolarHBondContact O-N 2.86Å; Q201-A205 PolarHBondContact O-N 2.69Å
202	K	96.6	Very high	97.2	Very high	107 Å²	107	77 Å²	77	47%	0.465	37%	0.365	S	S	.	.	H	α-helix	trans	-58.8	-46.4	176.4	177.3	167.2	179.6	178.4	0	111.7	A205 E206 Y216 E218	K202-A205 PolarHBondContact O-N 2.92Å; K202-E206 WeakPolarHBondContact CE-OE2 3.39Å; K202-E206 WeakPolarHBondContact O-CB 3.44Å; K202-E206 PolarHBondContact O-N 3.28Å; K202-Y216 HydrophobicContact CG-CE1 4.23Å; K202-E218 WeakPolarHBondContact CA-OE1 3.44Å; K202-E218 WeakPolarHBondContact CB-OE1 3.27Å; K202-E218 HydrophobicContact CD-CG 4.46Å; K202-E218 VanDerWaalsContact CG-OE1 3.27Å; K202-E218 WeakPolarHBondContact CG-OE1 3.43Å
203	T	97.6	Very high	97.1	Very high	72 Å²	72	79.1 Å²	79.1	44%	0.442	39%	0.391	S	S	.	.	H	α-helix	trans	-55.6	-53.3	177.4	40.1	0	0	0	0	111.5	Q201 A205 E206 E207	Q201-T203 VanDerWaalsContact C-N 3.33Å; Q201-T203 PolarHBondContact O-N 3.06Å; T203-A205 PolarHBondContact O-N 2.99Å; T203-E206 PolarHBondContact O-N 3.09Å; T203-E207 VanDerWaalsContact O-CB 3.27Å; T203-E207 WeakPolarHBondContact O-CB 3.27Å; T203-E207 VanDerWaalsContact O-CG 3.26Å; T203-E207 WeakPolarHBondContact O-CG 3.5Å; T203-E207 PolarHBondContact O-N 3.38Å
204	E	98.1	Very high	97.3	Very high	53 Å²	53	77 Å²	77	25%	0.248	38%	0.379	C	S	.	.	H	α-helix	trans	-51	-48.2	177.5	174.4	-178.2	-162.7	0	0	113.1	R96 F99 Q201 F208	R96-E204 IonicContact CZ-OE1 2.9Å; R96-E204 IonicContact CZ-OE2 2.84Å; R96-E204 IonicContact NH1-OE1 3.97Å; R96-E204 PolarHBondContact NH1-OE1 2.94Å; R96-E204 IonicContact NH1-OE2 3.93Å; R96-E204 IonicContact NH2-OE1 2.83Å; R96-E204 PolarHBondContact NH2-OE1 2.84Å; R96-E204 IonicContact NH2-OE2 3.87Å; R96-E204 PolarHBondContact NH2-OE2 2.96Å; F99-E204 HydrophobicContact CE1-CG 3.88Å; F99-E204 HydrophobicContact CZ-CG 4.24Å; Q201-E204 HydrophobicContact CB-CB 4.03Å; Q201-E204 PolarHBondContact N-OE2 3.04Å; Q201-E204 VanDerWaalsContact N-OE2 3.14Å; Q201-E204 PolarHBondContact O-N 2.86Å; E204-F208 WeakPolarHBondContact O-CB 3.36Å; E204-F208 PolarHBondContact O-N 2.81Å; E204-F208 VanDerWaalsContact O-N 3.16Å
205	A	98.2	Very high	97.4	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-75.2	-35.7	179.3	0	0	0	0	0	113.4	F91 F99 V200 Q201 K202 T203 A209 Y216	F91-A205 HydrophobicContact CE1-CB 4.45Å; F91-A205 HydrophobicContact CZ-CB 3.69Å; F99-A205 HydrophobicContact CD2-CB 4.42Å; F99-A205 HydrophobicContact CE2-CB 3.72Å; F99-A205 HydrophobicContact CZ-CB 4.12Å; V200-A205 HydrophobicContact CG1-CB 4.26Å; Q201-A205 PolarHBondContact O-N 2.69Å; K202-A205 PolarHBondContact O-N 2.92Å; T203-A205 PolarHBondContact O-N 2.99Å; A205-A209 WeakPolarHBondContact O-CB 3.47Å; A205-A209 PolarHBondContact O-N 3.05Å; A205-Y216 HydrophobicContact CB-CD2 4.49Å; A205-Y216 HydrophobicContact CB-CE2 3.62Å; A205-Y216 WeakPolarHBondContact CB-OH 3.01Å
206	E	98.3	Very high	97.6	Very high	60 Å²	60	72.5 Å²	72.5	28%	0.28	36%	0.359	S	S	.	.	H	α-helix	trans	-71.8	-32.9	177.8	-163.3	-176.9	124.5	0	0	111.8	K202 T203 K210 Y216	K202-E206 WeakPolarHBondContact CE-OE2 3.39Å; K202-E206 WeakPolarHBondContact O-CB 3.44Å; K202-E206 PolarHBondContact O-N 3.28Å; T203-E206 PolarHBondContact O-N 3.09Å; E206-K210 WeakPolarHBondContact O-CB 3.2Å; E206-K210 WeakPolarHBondContact O-CD 3.38Å; E206-K210 WeakPolarHBondContact O-CG 3.43Å; E206-K210 PolarHBondContact O-N 3.43Å; E206-K210 WeakPolarHBondContact OE1-CE 3.38Å; E206-K210 IonicContact OE1-NZ 3.97Å; E206-K210 PolarHBondContact OE1-NZ 2.89Å; E206-Y216 HydrophobicContact CB-CD1 3.76Å; E206-Y216 HydrophobicContact CB-CE1 4.02Å; E206-Y216 HydrophobicContact CB-CG 4.43Å; E206-Y216 HydrophobicContact CG-CD1 3.81Å; E206-Y216 HydrophobicContact CG-CE1 4.48Å; E206-Y216 HydrophobicContact CG-CG 4.47Å
207	E	98.4	Very high	97.7	Very high	117 Å²	117	64.2 Å²	64.2	55%	0.547	33%	0.328	S	S	.	.	H	α-helix	trans	-70	-44.5	173.2	-75.4	164.5	-148.7	0	0	111.7	T203 A209 K210 S211	T203-E207 VanDerWaalsContact O-CB 3.27Å; T203-E207 WeakPolarHBondContact O-CB 3.27Å; T203-E207 VanDerWaalsContact O-CG 3.26Å; T203-E207 WeakPolarHBondContact O-CG 3.5Å; T203-E207 PolarHBondContact O-N 3.38Å; E207-A209 VanDerWaalsContact C-N 3.3Å; E207-A209 PolarHBondContact O-N 3.29Å; E207-K210 PolarHBondContact O-N 3.48Å; E207-S211 PolarHBondContact O-N 2.98Å
208	F	98.6	Very high	97.7	Very high	20 Å²	20	59.7 Å²	59.7	9%	0.088	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-37.4	173	176.9	-92.9	0	0	0	112.7	F99 Q103 V106 L187 E204 S211 H212	F99-F208 HydrophobicContact CE2-CD1 4.49Å; F99-F208 HydrophobicContact CZ-CB 4.13Å; F99-F208 HydrophobicContact CZ-CG 4.36Å; Q103-F208 VanDerWaalsContact CA-CZ 3.48Å; Q103-F208 HydrophobicContact CB-CE1 4.13Å; Q103-F208 HydrophobicContact CB-CE2 3.74Å; Q103-F208 HydrophobicContact CB-CZ 3.53Å; Q103-F208 HydrophobicContact CG-CD1 4.04Å; Q103-F208 HydrophobicContact CG-CD2 3.93Å; Q103-F208 HydrophobicContact CG-CE1 3.77Å; Q103-F208 HydrophobicContact CG-CE2 3.61Å; Q103-F208 HydrophobicContact CG-CG 4.13Å; Q103-F208 HydrophobicContact CG-CZ 3.56Å; V106-F208 HydrophobicContact CB-CE1 4.08Å; V106-F208 HydrophobicContact CB-CZ 4.06Å; V106-F208 HydrophobicContact CG1-CE1 4.11Å; V106-F208 HydrophobicContact CG1-CZ 4.04Å; V106-F208 HydrophobicContact CG2-CE1 4.06Å; L187-F208 HydrophobicContact CD2-CD1 4.03Å; E204-F208 WeakPolarHBondContact O-CB 3.36Å; E204-F208 PolarHBondContact O-N 2.81Å; E204-F208 VanDerWaalsContact O-N 3.16Å; F208-S211 PolarHBondContact O-OG 2.97Å; F208-H212 AromaticContact CD2-CE1 3.84Å; F208-H212 AromaticContact CD2-ND1 3.9Å; F208-H212 AromaticContact CE1-ND1 3.86Å; F208-H212 AromaticContact CE2-CE1 3.19Å; F208-H212 WeakPolarHBondContact CE2-CE1 3.38Å; F208-H212 AromaticContact CE2-ND1 3.55Å; F208-H212 AromaticContact CZ-CE1 3.38Å; F208-H212 WeakPolarHBondContact CZ-CE1 3.36Å; F208-H212 AromaticContact CZ-ND1 3.49Å; F208-H212 WeakPolarHBondContact CZ-ND1 3.35Å; F208-H212 PolarHBondContact O-N 2.83Å; F208-H212 PolarHBondContact O-ND1 3.17Å
209	A	98.3	Very high	97.7	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-42.7	173.8	0	0	0	0	0	111.9	L187 A205 E207 H212 G213 I214 Y216	L187-A209 HydrophobicContact CD2-CB 4.13Å; A205-A209 WeakPolarHBondContact O-CB 3.47Å; A205-A209 PolarHBondContact O-N 3.05Å; E207-A209 VanDerWaalsContact C-N 3.3Å; E207-A209 PolarHBondContact O-N 3.29Å; A209-H212 PolarHBondContact O-N 3.14Å; A209-G213 PolarHBondContact O-N 3.28Å; A209-I214 HydrophobicContact CB-CG1 3.98Å; A209-I214 PolarHBondContact O-N 2.76Å; A209-Y216 HydrophobicContact CB-CG 4.42Å
210	K	97.9	Very high	97.6	Very high	131 Å²	131	53 Å²	53	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-62.6	-40.3	175.6	-75.6	162.6	-173.5	160.7	0	112.6	E206 E207 H212 G213	E206-K210 WeakPolarHBondContact O-CB 3.2Å; E206-K210 WeakPolarHBondContact O-CD 3.38Å; E206-K210 WeakPolarHBondContact O-CG 3.43Å; E206-K210 PolarHBondContact O-N 3.43Å; E206-K210 WeakPolarHBondContact OE1-CE 3.38Å; E206-K210 IonicContact OE1-NZ 3.97Å; E206-K210 PolarHBondContact OE1-NZ 2.89Å; E207-K210 PolarHBondContact O-N 3.48Å; K210-H212 PolarHBondContact O-N 3.22Å; K210-G213 PolarHBondContact O-N 3.01Å; K210-G213 VanDerWaalsContact O-N 3.11Å
211	S	97.6	Very high	97.5	Very high	90 Å²	90	53.1 Å²	53.1	63%	0.629	28%	0.279	S	S	*	.	H	α-helix	trans	-65.4	-29.1	179.1	67.8	0	0	0	0	112.9	E207 F208	E207-S211 PolarHBondContact O-N 2.98Å; F208-S211 PolarHBondContact O-OG 2.97Å
212	H	96.7	Very high	97.4	Very high	55 Å²	55	49.8 Å²	49.8	26%	0.255	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-3.8	174.4	-69.1	90.9	0	0	0	114	V106 H110 F208 A209 K210 I214	V106-H212 HydrophobicContact CG1-CB 3.99Å; H110-H212 AromaticContact CD2-CD2 3.87Å; F208-H212 AromaticContact CD2-CE1 3.84Å; F208-H212 AromaticContact CD2-ND1 3.9Å; F208-H212 AromaticContact CE1-ND1 3.86Å; F208-H212 AromaticContact CE2-CE1 3.19Å; F208-H212 WeakPolarHBondContact CE2-CE1 3.38Å; F208-H212 AromaticContact CE2-ND1 3.55Å; F208-H212 AromaticContact CZ-CE1 3.38Å; F208-H212 WeakPolarHBondContact CZ-CE1 3.36Å; F208-H212 AromaticContact CZ-ND1 3.49Å; F208-H212 WeakPolarHBondContact CZ-ND1 3.35Å; F208-H212 PolarHBondContact O-N 2.83Å; F208-H212 PolarHBondContact O-ND1 3.17Å; A209-H212 PolarHBondContact O-N 3.14Å; K210-H212 PolarHBondContact O-N 3.22Å; H212-I214 VanDerWaalsContact C-N 3.25Å; H212-I214 HydrophobicContact CB-CD1 4.29Å; H212-I214 HydrophobicContact CB-CG1 4.17Å; H212-I214 HydrophobicContact CB-CG2 4.29Å; H212-I214 PolarHBondContact O-N 2.95Å
213	G	96.2	Very high	97.2	Very high	68 Å²	68	50.8 Å²	50.8	70%	0.701	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	18.8	-177.6	0	0	0	0	0	114.8	A209 K210	A209-G213 PolarHBondContact O-N 3.28Å; K210-G213 PolarHBondContact O-N 3.01Å; K210-G213 VanDerWaalsContact O-N 3.11Å
214	I	97.1	Very high	97	Very high	17 Å²	17	50.2 Å²	50.2	9%	0.087	27%	0.27	C	S	.	.			trans	-98.5	145.5	-176.7	63.8	179.7	0	0	0	111.4	V106 I185 L187 A209 H212	V106-I214 HydrophobicContact CG1-CD1 4.09Å; V106-I214 HydrophobicContact CG2-CD1 3.69Å; I185-I214 HydrophobicContact CB-CG2 3.89Å; I185-I214 HydrophobicContact CG2-CD1 4.06Å; I185-I214 HydrophobicContact CG2-CG2 4.13Å; L187-I214 HydrophobicContact CB-CD1 3.86Å; L187-I214 HydrophobicContact CB-CG1 4.42Å; A209-I214 HydrophobicContact CB-CG1 3.98Å; A209-I214 PolarHBondContact O-N 2.76Å; H212-I214 VanDerWaalsContact C-N 3.25Å; H212-I214 HydrophobicContact CB-CD1 4.29Å; H212-I214 HydrophobicContact CB-CG1 4.17Å; H212-I214 HydrophobicContact CB-CG2 4.29Å; H212-I214 PolarHBondContact O-N 2.95Å
215	P	97.8	Very high	96.9	Very high	43 Å²	43	49.2 Å²	49.2	28%	0.279	26%	0.264	S	S	.	.			trans	-66.6	143.6	174.8	-21.1	34.3	0	0	0	112.6	I185 I186 L187 Y217 L238	I185-P215 WeakPolarHBondContact O-CD 3.24Å; I186-P215 HydrophobicContact CG1-CB 4.49Å; I186-P215 HydrophobicContact CG1-CG 4.35Å; I186-P215 HydrophobicContact CG2-CB 4.41Å; L187-P215 PolarHBondContact N-O 3.01Å; P215-Y217 HydrophobicContact CB-CE2 4.01Å; P215-L238 HydrophobicContact CG-CD1 4.24Å
216	Y	98.4	Very high	96.8	Very high	32 Å²	32	56.5 Å²	56.5	13%	0.125	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141	176.2	179.9	-115.5	0	0	0	111.6	F91 L187 A189 K202 A205 E206 A209 E218	F91-Y216 HydrophobicContact CE1-CE2 4.09Å; F91-Y216 HydrophobicContact CZ-CE2 4.14Å; L187-Y216 HydrophobicContact CB-CD2 4.39Å; L187-Y216 HydrophobicContact CD2-CD2 4.03Å; L187-Y216 HydrophobicContact CD2-CE2 4.42Å; L187-Y216 HydrophobicContact CG-CD2 4.13Å; L187-Y216 WeakPolarHBondContact O-CA 2.88Å; A189-Y216 HydrophobicContact CB-CE2 3.75Å; A189-Y216 VanDerWaalsContact CB-OH 3.25Å; A189-Y216 WeakPolarHBondContact CB-OH 3.16Å; K202-Y216 HydrophobicContact CG-CE1 4.23Å; A205-Y216 HydrophobicContact CB-CD2 4.49Å; A205-Y216 HydrophobicContact CB-CE2 3.62Å; A205-Y216 WeakPolarHBondContact CB-OH 3.01Å; E206-Y216 HydrophobicContact CB-CD1 3.76Å; E206-Y216 HydrophobicContact CB-CE1 4.02Å; E206-Y216 HydrophobicContact CB-CG 4.43Å; E206-Y216 HydrophobicContact CG-CD1 3.81Å; E206-Y216 HydrophobicContact CG-CE1 4.48Å; E206-Y216 HydrophobicContact CG-CG 4.47Å; A209-Y216 HydrophobicContact CB-CG 4.42Å; Y216-E218 HydrophobicContact CE1-CG 3.67Å; Y216-E218 WeakPolarHBondContact OH-CG 3.48Å; Y216-E218 PolarHBondContact OH-OE1 2.87Å
217	Y	98.4	Very high	96.8	Very high	67 Å²	67	56.8 Å²	56.8	26%	0.263	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.1	172.3	-63	-80.7	0	0	0	111	I186 L187 V188 A189 P215 T230 I231 A234	I186-Y217 HydrophobicContact CG2-CD2 3.69Å; I186-Y217 HydrophobicContact CG2-CE2 3.87Å; L187-Y217 PolarHBondContact O-N 2.76Å; L187-Y217 VanDerWaalsContact O-N 3.16Å; V188-Y217 WeakPolarHBondContact CA-O 3.45Å; A189-Y217 PolarHBondContact N-O 2.9Å; P215-Y217 HydrophobicContact CB-CE2 4.01Å; Y217-T230 HydrophobicContact CE1-CG2 4.23Å; Y217-I231 HydrophobicContact CD2-CG1 3.99Å; Y217-I231 HydrophobicContact CG-CG1 4.02Å; Y217-A234 HydrophobicContact CE2-CB 4.14Å
218	E	97.3	Very high	96.7	Very high	41 Å²	41	51.2 Å²	51.2	19%	0.192	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139	159.1	-55.2	-153.6	162.4	0	0	109.1	M93 A189 R198 K202 Y216	M93-E218 VanDerWaalsContact SD-CD 3.59Å; M93-E218 HydrophobicContact SD-CG 4.35Å; M93-E218 VanDerWaalsContact SD-OE1 3.35Å; A189-E218 HydrophobicContact CB-CB 4.43Å; A189-E218 HydrophobicContact CB-CG 4.04Å; A189-E218 CarbonylContact O-C 3.59Å; A189-E218 WeakPolarHBondContact O-CA 3.13Å; R198-E218 IonicContact CZ-OE1 3.04Å; R198-E218 IonicContact CZ-OE2 3.65Å; R198-E218 IonicContact NH1-OE1 3.59Å; R198-E218 PolarHBondContact NH1-OE1 3.31Å; R198-E218 IonicContact NH1-OE2 2.98Å; R198-E218 PolarHBondContact NH1-OE2 3.43Å; R198-E218 IonicContact NH2-OE1 3.4Å; R198-E218 IonicContact NH2-OE2 2.83Å; R198-E218 PolarHBondContact NH2-OE2 3.21Å; K202-E218 WeakPolarHBondContact CA-OE1 3.44Å; K202-E218 WeakPolarHBondContact CB-OE1 3.27Å; K202-E218 HydrophobicContact CD-CG 4.46Å; K202-E218 VanDerWaalsContact CG-OE1 3.27Å; K202-E218 WeakPolarHBondContact CG-OE1 3.43Å; Y216-E218 HydrophobicContact CE1-CG 3.67Å; Y216-E218 WeakPolarHBondContact OH-CG 3.48Å; Y216-E218 PolarHBondContact OH-OE1 2.87Å
219	I	97.5	Very high	96.7	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.6	179.9	63.8	168.8	0	0	0	113.8	V30 V188 A189 N190 K191 S192 V221 E227 V228 I231	V30-I219 HydrophobicContact CG2-CD1 3.93Å; V188-I219 HydrophobicContact CG1-CD1 3.64Å; V188-I219 HydrophobicContact CG1-CG1 3.77Å; V188-I219 HydrophobicContact CG1-CG2 4.47Å; A189-I219 PolarHBondContact O-N 3.46Å; N190-I219 CarbonylContact C-O 3.52Å; N190-I219 HydrophobicContact CB-CG1 4.43Å; K191-I219 PolarHBondContact N-O 2.95Å; S192-I219 PolarHBondContact N-O 3.42Å; S192-I219 PolarHBondContact OG-O 2.74Å; S192-I219 VanDerWaalsContact OG-O 3.05Å; I219-V221 HydrophobicContact CD1-CG2 3.58Å; I219-V221 HydrophobicContact CG1-CG2 4.19Å; I219-E227 HydrophobicContact CB-CB 4.26Å; I219-E227 HydrophobicContact CG2-CB 3.87Å; I219-V228 HydrophobicContact CD1-CG2 4.19Å; I219-I231 HydrophobicContact CD1-CD1 3.7Å; I219-I231 HydrophobicContact CG1-CD1 4.37Å; I219-I231 HydrophobicContact CG2-CD1 3.49Å; I219-I231 VanDerWaalsContact CG2-CD1 3.49Å; I219-I231 HydrophobicContact CG2-CG1 4.42Å
220	T	96.4	Very high	96.6	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.049	29%	0.291	C	S	.	.			trans	-114.2	89.6	172.8	-63.8	0	0	0	0	109.4	S192 D193 T222 E223 T224 E227	S192-T220 PolarHBondContact OG-OG1 3.17Å; D193-T220 HydrophobicContact CB-CG2 3.59Å; D193-T220 PolarHBondContact N-OG1 3.41Å; T220-T222 WeakPolarHBondContact CG2-OG1 3.49Å; T220-T222 PolarHBondContact O-N 3.18Å; T220-E223 HydrophobicContact CG2-CB 3.7Å; T220-E223 HydrophobicContact CG2-CG 3.53Å; T220-E223 PolarHBondContact O-N 3.08Å; T220-E223 VanDerWaalsContact O-N 3.14Å; T220-T224 PolarHBondContact O-N 3.25Å; T220-E227 PolarHBondContact N-OE2 2.97Å
221	V	96	Very high	96.6	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.3	-176.7	173.1	0	0	0	0	113.2	A29 V30 K33 F39 N190 I219 V228	A29-V221 HydrophobicContact CB-CG1 3.91Å; A29-V221 WeakPolarHBondContact O-CG1 3.47Å; V30-V221 HydrophobicContact CB-CG2 4.49Å; V30-V221 HydrophobicContact CG2-CG2 3.52Å; K33-V221 HydrophobicContact CB-CG1 4.08Å; K33-V221 WeakPolarHBondContact CE-O 3.37Å; K33-V221 HydrophobicContact CG-CG1 4.39Å; K33-V221 PolarHBondContact NZ-O 3.05Å; F39-V221 HydrophobicContact CD2-CG1 3.98Å; F39-V221 HydrophobicContact CE2-CG1 4.13Å; N190-V221 WeakPolarHBondContact OD1-CG2 3.4Å; I219-V221 HydrophobicContact CD1-CG2 3.58Å; I219-V221 HydrophobicContact CG1-CG2 4.19Å; V221-V228 HydrophobicContact CG2-CG2 3.98Å
222	T	94.7	Very high	96.6	Very high	57 Å²	57	44.2 Å²	44.2	35%	0.35	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-50.6	173.5	42	0	0	0	0	110.9	K33 F39 D193 T220	K33-T222 PolarHBondContact NZ-O 2.69Å; F39-T222 HydrophobicContact CD1-CG2 4.27Å; F39-T222 HydrophobicContact CE1-CG2 3.81Å; F39-T222 HydrophobicContact CE2-CG2 4.2Å; F39-T222 HydrophobicContact CZ-CG2 3.78Å; D193-T222 PolarHBondContact OD2-OG1 2.82Å; T220-T222 WeakPolarHBondContact CG2-OG1 3.49Å; T220-T222 PolarHBondContact O-N 3.18Å
223	E	91.8	Very high	96.7	Very high	127 Å²	127	42.6 Å²	42.6	59%	0.593	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-88.3	-176.5	-64.9	173.4	-165.2	0	0	113.3	K33 T220	K33-E223 PolarHBondContact NZ-O 2.88Å; T220-E223 HydrophobicContact CG2-CB 3.7Å; T220-E223 HydrophobicContact CG2-CG 3.53Å; T220-E223 PolarHBondContact O-N 3.08Å; T220-E223 VanDerWaalsContact O-N 3.14Å
224	T	93.1	Very high	96.7	Very high	60 Å²	60	39.5 Å²	39.5	37%	0.368	20%	0.195	S	C	.	.			trans	-104.3	116.9	-152.3	-72.5	0	0	0	0	113.8	T220 K226 E227	T220-T224 PolarHBondContact O-N 3.25Å; T224-K226 HydrophobicContact CG2-CB 3.68Å; T224-K226 PolarHBondContact O-N 3.05Å; T224-E227 HydrophobicContact CG2-CG 4.05Å; T224-E227 PolarHBondContact O-N 3.3Å
225	Y	96.6	Very high	96.7	Very high	32 Å²	32	38.7 Å²	38.7	13%	0.125	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-32.6	176.1	170.3	-97.9	0	0	0	113.4	K33 Y34 R37 E227 V228 Q229	K33-Y225 VanDerWaalsContact O-CD2 3.27Å; K33-Y225 WeakPolarHBondContact O-CD2 3.45Å; K33-Y225 WeakPolarHBondContact O-CE2 3.31Å; Y34-Y225 HydrophobicContact CD2-CE2 4.48Å; R37-Y225 HydrophobicContact CB-CD2 3.95Å; R37-Y225 HydrophobicContact CB-CE2 4.16Å; R37-Y225 HydrophobicContact CB-CG 4.34Å; R37-Y225 HydrophobicContact CG-CD2 3.97Å; R37-Y225 HydrophobicContact CG-CE1 4.42Å; R37-Y225 HydrophobicContact CG-CE2 3.66Å; R37-Y225 HydrophobicContact CG-CG 4.47Å; Y225-E227 VanDerWaalsContact C-N 3.28Å; Y225-E227 PolarHBondContact O-N 2.89Å; Y225-V228 PolarHBondContact O-N 2.82Å; Y225-Q229 HydrophobicContact CD1-CB 4.37Å; Y225-Q229 HydrophobicContact CE1-CB 3.86Å; Y225-Q229 HydrophobicContact CE1-CG 4.15Å; Y225-Q229 WeakPolarHBondContact O-CB 3.28Å; Y225-Q229 PolarHBondContact O-N 3.18Å
226	K	96.6	Very high	96.5	Very high	153 Å²	153	36.7 Å²	36.7	67%	0.665	18%	0.177	S	C	*	.	H	α-helix	trans	-60.5	-34.9	-178.9	-171.3	-175.9	176.5	-173.3	0	112.6	T224 T230	T224-K226 HydrophobicContact CG2-CB 3.68Å; T224-K226 PolarHBondContact O-N 3.05Å; K226-T230 WeakPolarHBondContact O-CB 3.38Å; K226-T230 PolarHBondContact O-N 2.93Å; K226-T230 PolarHBondContact O-OG1 3.37Å
227	E	96.8	Very high	96.3	Very high	66 Å²	66	38.7 Å²	38.7	31%	0.308	19%	0.185	S	C	.	.	H	α-helix	trans	-67.7	-53	178.9	-61.3	-176.7	158.5	0	0	110.6	I219 T220 T224 Y225 Q229 T230 I231	I219-E227 HydrophobicContact CB-CB 4.26Å; I219-E227 HydrophobicContact CG2-CB 3.87Å; T220-E227 PolarHBondContact N-OE2 2.97Å; T224-E227 HydrophobicContact CG2-CG 4.05Å; T224-E227 PolarHBondContact O-N 3.3Å; Y225-E227 VanDerWaalsContact C-N 3.28Å; Y225-E227 PolarHBondContact O-N 2.89Å; E227-Q229 VanDerWaalsContact C-N 3.33Å; E227-Q229 PolarHBondContact O-N 2.69Å; E227-T230 WeakPolarHBondContact O-CB 3.47Å; E227-T230 PolarHBondContact O-N 3.43Å; E227-I231 PolarHBondContact O-N 3.12Å
228	V	97.7	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.4	-47.2	174.1	169.3	0	0	0	0	111	V30 K33 I219 V221 Y225 T230 I231 F232	V30-V228 HydrophobicContact CG1-CG1 4.17Å; V30-V228 WeakPolarHBondContact O-CG1 3.17Å; K33-V228 HydrophobicContact CB-CG1 4.32Å; K33-V228 HydrophobicContact CB-CG2 4.39Å; K33-V228 HydrophobicContact CG-CB 4.32Å; K33-V228 HydrophobicContact CG-CG1 4.38Å; K33-V228 HydrophobicContact CG-CG2 3.99Å; I219-V228 HydrophobicContact CD1-CG2 4.19Å; V221-V228 HydrophobicContact CG2-CG2 3.98Å; Y225-V228 PolarHBondContact O-N 2.82Å; V228-T230 VanDerWaalsContact C-N 3.28Å; V228-T230 PolarHBondContact O-N 2.87Å; V228-I231 PolarHBondContact O-N 2.84Å; V228-F232 HydrophobicContact CG1-CD2 4.22Å; V228-F232 HydrophobicContact CG1-CE2 4.06Å; V228-F232 WeakPolarHBondContact O-CD2 3.19Å; V228-F232 PolarHBondContact O-N 3.49Å
229	Q	97.5	Very high	95.7	Very high	43 Å²	43	35.9 Å²	35.9	20%	0.201	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-39.3	175.6	-174.1	178.8	20	0	0	112.1	Y34 Y225 E227 I231 F232 H233	Y34-Q229 HydrophobicContact CE2-CG 4.48Å; Y225-Q229 HydrophobicContact CD1-CB 4.37Å; Y225-Q229 HydrophobicContact CE1-CB 3.86Å; Y225-Q229 HydrophobicContact CE1-CG 4.15Å; Y225-Q229 WeakPolarHBondContact O-CB 3.28Å; Y225-Q229 PolarHBondContact O-N 3.18Å; E227-Q229 VanDerWaalsContact C-N 3.33Å; E227-Q229 PolarHBondContact O-N 2.69Å; Q229-I231 VanDerWaalsContact C-N 3.29Å; Q229-I231 PolarHBondContact O-N 3.14Å; Q229-F232 PolarHBondContact O-N 2.7Å; Q229-H233 PolarHBondContact NE2-CE1 3.45Å; Q229-H233 VanDerWaalsContact NE2-CE1 3.27Å; Q229-H233 PolarHBondContact NE2-NE2 3.08Å; Q229-H233 VanDerWaalsContact O-CB 3.29Å; Q229-H233 WeakPolarHBondContact O-CB 3.39Å; Q229-H233 PolarHBondContact O-CD2 3.01Å; Q229-H233 VanDerWaalsContact O-CD2 3.29Å; Q229-H233 VanDerWaalsContact O-CG 3.32Å; Q229-H233 PolarHBondContact O-N 2.95Å
230	T	97.5	Very high	95.1	Very high	52 Å²	52	36.3 Å²	36.3	32%	0.319	18%	0.178	S	C	.	.	H	α-helix	trans	-61.7	-36	-178.4	-62.6	0	0	0	0	111.9	Y217 K226 E227 V228 A234	Y217-T230 HydrophobicContact CE1-CG2 4.23Å; K226-T230 WeakPolarHBondContact O-CB 3.38Å; K226-T230 PolarHBondContact O-N 2.93Å; K226-T230 PolarHBondContact O-OG1 3.37Å; E227-T230 WeakPolarHBondContact O-CB 3.47Å; E227-T230 PolarHBondContact O-N 3.43Å; V228-T230 VanDerWaalsContact C-N 3.28Å; V228-T230 PolarHBondContact O-N 2.87Å; T230-A234 VanDerWaalsContact O-CB 3.27Å; T230-A234 WeakPolarHBondContact O-CB 3.19Å; T230-A234 PolarHBondContact O-N 3.05Å
231	I	97.6	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-53.2	175.4	-65.8	158.2	0	0	0	111.4	I88 V188 Y217 I219 E227 V228 Q229 H233 A234 A235	I88-I231 HydrophobicContact CD1-CG2 3.69Å; I88-I231 HydrophobicContact CG1-CG2 4.02Å; I88-I231 HydrophobicContact CG2-CG2 4.2Å; V188-I231 HydrophobicContact CB-CD1 4.33Å; V188-I231 HydrophobicContact CG1-CD1 3.52Å; V188-I231 HydrophobicContact CG2-CD1 3.77Å; V188-I231 HydrophobicContact CG2-CG1 4.08Å; V188-I231 HydrophobicContact CG2-CG2 3.9Å; Y217-I231 HydrophobicContact CD2-CG1 3.99Å; Y217-I231 HydrophobicContact CG-CG1 4.02Å; I219-I231 HydrophobicContact CD1-CD1 3.7Å; I219-I231 HydrophobicContact CG1-CD1 4.37Å; I219-I231 HydrophobicContact CG2-CD1 3.49Å; I219-I231 VanDerWaalsContact CG2-CD1 3.49Å; I219-I231 HydrophobicContact CG2-CG1 4.42Å; E227-I231 PolarHBondContact O-N 3.12Å; V228-I231 PolarHBondContact O-N 2.84Å; Q229-I231 VanDerWaalsContact C-N 3.29Å; Q229-I231 PolarHBondContact O-N 3.14Å; I231-H233 PolarHBondContact O-N 3.25Å; I231-A234 WeakPolarHBondContact O-CB 3.47Å; I231-A234 PolarHBondContact O-N 3.05Å; I231-A235 PolarHBondContact O-N 2.73Å
232	F	97.8	Very high	93.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-35.6	179.1	-76.2	-85.8	0	0	0	111.6	I17 I19 V30 Y34 I66 I88 V228 Q229 A236	I17-F232 HydrophobicContact CD1-CD1 4.19Å; I19-F232 HydrophobicContact CD1-CE1 3.86Å; I19-F232 HydrophobicContact CD1-CZ 3.6Å; V30-F232 HydrophobicContact CG1-CE2 3.79Å; V30-F232 HydrophobicContact CG1-CZ 4.28Å; Y34-F232 HydrophobicContact CD1-CB 4.36Å; Y34-F232 AromaticContact CD1-CD1 3.69Å; Y34-F232 HydrophobicContact CD1-CD1 3.69Å; Y34-F232 AromaticContact CD1-CD2 3.69Å; Y34-F232 HydrophobicContact CD1-CD2 3.69Å; Y34-F232 AromaticContact CD1-CE1 3.77Å; Y34-F232 HydrophobicContact CD1-CE1 3.77Å; Y34-F232 AromaticContact CD1-CE2 3.78Å; Y34-F232 HydrophobicContact CD1-CE2 3.78Å; Y34-F232 AromaticContact CD1-CG 3.65Å; Y34-F232 HydrophobicContact CD1-CG 3.65Å; Y34-F232 AromaticContact CD1-CZ 3.81Å; Y34-F232 HydrophobicContact CD1-CZ 3.81Å; Y34-F232 HydrophobicContact CD2-CB 3.96Å; Y34-F232 AromaticContact CD2-CD2 3.51Å; Y34-F232 HydrophobicContact CD2-CD2 3.51Å; Y34-F232 HydrophobicContact CD2-CE2 4.14Å; Y34-F232 AromaticContact CD2-CG 3.81Å; Y34-F232 HydrophobicContact CD2-CG 3.81Å; Y34-F232 HydrophobicContact CE1-CB 3.99Å; Y34-F232 AromaticContact CE1-CD1 3.66Å; Y34-F232 HydrophobicContact CE1-CD1 3.66Å; Y34-F232 HydrophobicContact CE1-CD2 4.18Å; Y34-F232 HydrophobicContact CE1-CE1 4.13Å; Y34-F232 AromaticContact CE1-CG 3.68Å; Y34-F232 HydrophobicContact CE1-CG 3.68Å; Y34-F232 HydrophobicContact CE2-CB 3.56Å; Y34-F232 HydrophobicContact CE2-CD2 4.04Å; Y34-F232 AromaticContact CE2-CG 3.86Å; Y34-F232 HydrophobicContact CE2-CG 3.86Å; Y34-F232 HydrophobicContact CG-CB 4.35Å; Y34-F232 HydrophobicContact CG-CD1 4.21Å; Y34-F232 AromaticContact CG-CD2 3.31Å; Y34-F232 HydrophobicContact CG-CD2 3.31Å; Y34-F232 HydrophobicContact CG-CE1 4.34Å; Y34-F232 AromaticContact CG-CE2 3.49Å; Y34-F232 HydrophobicContact CG-CE2 3.49Å; Y34-F232 VanDerWaalsContact CG-CE2 3.49Å; Y34-F232 AromaticContact CG-CG 3.71Å; Y34-F232 HydrophobicContact CG-CG 3.71Å; Y34-F232 HydrophobicContact CG-CZ 4Å; Y34-F232 AromaticContact CZ-CG 3.78Å; I66-F232 HydrophobicContact CD1-CD1 4.42Å; I66-F232 HydrophobicContact CD1-CE1 3.75Å; I66-F232 HydrophobicContact CD1-CZ 4.28Å; I66-F232 HydrophobicContact CG1-CE1 4.09Å; I66-F232 HydrophobicContact CG2-CE1 4.25Å; I88-F232 HydrophobicContact CD1-CD1 4.25Å; I88-F232 HydrophobicContact CD1-CE1 4.17Å; I88-F232 HydrophobicContact CD1-CZ 4.48Å; V228-F232 HydrophobicContact CG1-CD2 4.22Å; V228-F232 HydrophobicContact CG1-CE2 4.06Å; V228-F232 WeakPolarHBondContact O-CD2 3.19Å; V228-F232 PolarHBondContact O-N 3.49Å; Q229-F232 PolarHBondContact O-N 2.7Å; F232-A236 VanDerWaalsContact O-CB 3.3Å; F232-A236 WeakPolarHBondContact O-CB 3.37Å; F232-A236 PolarHBondContact O-N 3.42Å
233	H	97.1	Very high	92	Very high	22 Å²	22	46 Å²	46	10%	0.102	22%	0.223	C	C	.	.	H	α-helix	trans	-71.4	-32.2	174.8	-75.1	-144.8	0	0	0	112.4	D55 S56 V57 Q229 I231 R237	D55-H233 IonicContact OD1-NE2 3.14Å; D55-H233 IonicContact OD2-CD2 3.31Å; D55-H233 IonicContact OD2-CE1 3.99Å; D55-H233 IonicContact OD2-NE2 2.59Å; D55-H233 PolarHBondContact OD2-NE2 3.04Å; S56-H233 PolarHBondContact O-CE1 3.39Å; V57-H233 HydrophobicContact CG1-CB 4.15Å; V57-H233 HydrophobicContact CG2-CB 4.36Å; Q229-H233 PolarHBondContact NE2-CE1 3.45Å; Q229-H233 VanDerWaalsContact NE2-CE1 3.27Å; Q229-H233 PolarHBondContact NE2-NE2 3.08Å; Q229-H233 VanDerWaalsContact O-CB 3.29Å; Q229-H233 WeakPolarHBondContact O-CB 3.39Å; Q229-H233 PolarHBondContact O-CD2 3.01Å; Q229-H233 VanDerWaalsContact O-CD2 3.29Å; Q229-H233 VanDerWaalsContact O-CG 3.32Å; Q229-H233 PolarHBondContact O-N 2.95Å; I231-H233 PolarHBondContact O-N 3.25Å; H233-R237 WeakPolarHBondContact O-CB 3.49Å; H233-R237 WeakPolarHBondContact O-CG 3.43Å; H233-R237 PolarHBondContact O-N 2.97Å; H233-R237 PolarHBondContact O-NE 3.26Å
234	A	96.9	Very high	90.6	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-46.6	172.1	0	0	0	0	0	111.8	I186 Y217 T230 I231 A236 R237 L238	I186-A234 HydrophobicContact CD1-CB 3.92Å; Y217-A234 HydrophobicContact CE2-CB 4.14Å; T230-A234 VanDerWaalsContact O-CB 3.27Å; T230-A234 WeakPolarHBondContact O-CB 3.19Å; T230-A234 PolarHBondContact O-N 3.05Å; I231-A234 WeakPolarHBondContact O-CB 3.47Å; I231-A234 PolarHBondContact O-N 3.05Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 3.46Å; A234-R237 WeakPolarHBondContact O-CB 3.22Å; A234-R237 PolarHBondContact O-N 2.95Å; A234-R237 VanDerWaalsContact O-N 3.16Å; A234-L238 WeakPolarHBondContact O-CG 3.28Å; A234-L238 PolarHBondContact O-N 2.69Å
235	A	96.4	Very high	88.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.6	-46.1	173.4	0	0	0	0	0	111.2	I17 A86 I186 I231 R237 L238 C239	I17-A235 HydrophobicContact CD1-CB 3.78Å; A86-A235 HydrophobicContact CB-CB 3.87Å; I186-A235 HydrophobicContact CD1-CB 3.93Å; I231-A235 PolarHBondContact O-N 2.73Å; A235-R237 PolarHBondContact O-N 2.81Å; A235-L238 PolarHBondContact O-N 2.87Å; A235-C239 PolarHBondContact O-N 3.35Å; A235-C239 VanDerWaalsContact O-N 3.09Å; A235-C239 PolarHBondContact O-SG 3.09Å
236	A	94.8	Very high	86.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-43.7	174.2	0	0	0	0	0	112.6	I15 V57 L62 F232 A234 C239 L240	I15-A236 HydrophobicContact CD1-CB 3.83Å; V57-A236 HydrophobicContact CG1-CB 4.41Å; V57-A236 HydrophobicContact CG2-CB 4Å; L62-A236 HydrophobicContact CD2-CB 4.13Å; F232-A236 VanDerWaalsContact O-CB 3.3Å; F232-A236 WeakPolarHBondContact O-CB 3.37Å; F232-A236 PolarHBondContact O-N 3.42Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 3.46Å; A236-C239 PolarHBondContact O-N 3.1Å; A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 VanDerWaalsContact O-CG 3.26Å; A236-L240 WeakPolarHBondContact O-CG 3.41Å; A236-L240 PolarHBondContact O-N 3.03Å
237	R	93.9	Very high	84.7	Confident	74 Å²	74	48.3 Å²	48.3	28%	0.279	26%	0.257	S	S	.	.	H	α-helix	trans	-58.3	-47	175.6	-89.3	-179.3	-101.9	111.9	4.3	112.6	V57 D58 H233 A234 A235 C239 L240 Q241	V57-R237 HydrophobicContact CG1-CG 4.13Å; D58-R237 IonicContact OD1-NE 2.99Å; D58-R237 WeakPolarHBondContact OD2-CD 3.29Å; D58-R237 WeakPolarHBondContact OD2-CG 3.18Å; D58-R237 IonicContact OD2-NE 2.65Å; H233-R237 WeakPolarHBondContact O-CB 3.49Å; H233-R237 WeakPolarHBondContact O-CG 3.43Å; H233-R237 PolarHBondContact O-N 2.97Å; H233-R237 PolarHBondContact O-NE 3.26Å; A234-R237 WeakPolarHBondContact O-CB 3.22Å; A234-R237 PolarHBondContact O-N 2.95Å; A234-R237 VanDerWaalsContact O-N 3.16Å; A235-R237 PolarHBondContact O-N 2.81Å; R237-C239 VanDerWaalsContact C-N 3.33Å; R237-C239 PolarHBondContact O-N 2.89Å; R237-L240 PolarHBondContact O-N 2.89Å; R237-Q241 WeakPolarHBondContact O-CB 3.08Å; R237-Q241 VanDerWaalsContact O-CG 3.24Å; R237-Q241 WeakPolarHBondContact O-CG 3.22Å; R237-Q241 PolarHBondContact O-N 2.84Å
238	L	92.8	Very high	82.3	Confident	45 Å²	45	55 Å²	55	24%	0.236	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-42	177.9	-64	170.9	0	0	0	111.5	I186 P215 A234 A235 S242	I186-L238 HydrophobicContact CD1-CD1 3.96Å; I186-L238 HydrophobicContact CG1-CD1 3.97Å; P215-L238 HydrophobicContact CG-CD1 4.24Å; A234-L238 WeakPolarHBondContact O-CG 3.28Å; A234-L238 PolarHBondContact O-N 2.69Å; A235-L238 PolarHBondContact O-N 2.87Å; L238-S242 WeakPolarHBondContact O-CB 3.16Å; L238-S242 PolarHBondContact O-N 3.18Å; L238-S242 VanDerWaalsContact O-N 3.14Å; L238-S242 PolarHBondContact O-OG 2.77Å
239	C	89.9	Confident	80	Confident	4 Å²	4	63 Å²	63	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-36.6	174.8	-69	0	0	0	0	113.7	I15 Q85 A235 A236 R237 K243	I15-C239 HydrophobicContact CD1-CB 4.09Å; I15-C239 HydrophobicContact CG1-CB 4.4Å; I15-C239 HydrophobicContact CG2-CB 3.66Å; Q85-C239 VanDerWaalsContact CB-SG 3.58Å; Q85-C239 PolarHBondContact O-SG 3.46Å; Q85-C239 VanDerWaalsContact O-SG 3.38Å; A235-C239 PolarHBondContact O-N 3.35Å; A235-C239 VanDerWaalsContact O-N 3.09Å; A235-C239 PolarHBondContact O-SG 3.09Å; A236-C239 PolarHBondContact O-N 3.1Å; R237-C239 VanDerWaalsContact C-N 3.33Å; R237-C239 PolarHBondContact O-N 2.89Å; C239-K243 WeakPolarHBondContact O-CG 3.08Å
240	L	86.2	Confident	77.6	Confident	13 Å²	13	68.9 Å²	68.9	7%	0.068	35%	0.346	C	S	.	.	H	α-helix	trans	-78.5	-41	-179.7	-70.7	169.8	0	0	0	112.6	N13 I15 L62 A236 R237 S242 K243 L245	N13-L240 HydrophobicContact CB-CD2 4.06Å; I15-L240 HydrophobicContact CD1-CD1 4.4Å; I15-L240 HydrophobicContact CD1-CD2 4.18Å; I15-L240 HydrophobicContact CD1-CG 3.94Å; L62-L240 HydrophobicContact CD2-CD1 3.84Å; A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 VanDerWaalsContact O-CG 3.26Å; A236-L240 WeakPolarHBondContact O-CG 3.41Å; A236-L240 PolarHBondContact O-N 3.03Å; R237-L240 PolarHBondContact O-N 2.89Å; L240-S242 PolarHBondContact O-N 2.92Å; L240-K243 WeakPolarHBondContact O-CA 3.43Å; L240-K243 PolarHBondContact O-N 3.2Å; L240-L245 HydrophobicContact CD2-CD1 3.83Å; L240-L245 PolarHBondContact O-N 2.87Å
241	Q	81.1	Confident	74.6	Confident	130 Å²	130	73.7 Å²	73.7	61%	0.607	37%	0.37	S	S	*	.	H	α-helix	trans	-57.2	-41.1	171.7	-71.5	170.4	11.5	0	0	110.7	R237 K243 G244	R237-Q241 WeakPolarHBondContact O-CB 3.08Å; R237-Q241 VanDerWaalsContact O-CG 3.24Å; R237-Q241 WeakPolarHBondContact O-CG 3.22Å; R237-Q241 PolarHBondContact O-N 2.84Å; Q241-K243 PolarHBondContact O-N 3.23Å; Q241-G244 PolarHBondContact O-N 2.84Å
242	S	71.5	Confident	72.1	Confident	52 Å²	52	77 Å²	77	36%	0.364	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.6	174.8	-60.6	0	0	0	0	114.5	K181 L238 L240	K181-S242 PolarHBondContact NZ-OG 3.25Å; L238-S242 WeakPolarHBondContact O-CB 3.16Å; L238-S242 PolarHBondContact O-N 3.18Å; L238-S242 VanDerWaalsContact O-N 3.14Å; L238-S242 PolarHBondContact O-OG 2.77Å; L240-S242 PolarHBondContact O-N 2.92Å
243	K	69.2	Low	69.5	Low	91 Å²	91	85.6 Å²	85.6	40%	0.396	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	8.2	176.4	-66.8	169.5	-172.4	174.6	0	112.8	T14 C239 L240 Q241 L245	T14-K243 PolarHBondContact O-NZ 3.27Å; C239-K243 WeakPolarHBondContact O-CG 3.08Å; L240-K243 WeakPolarHBondContact O-CA 3.43Å; L240-K243 PolarHBondContact O-N 3.2Å; Q241-K243 PolarHBondContact O-N 3.23Å; K243-L245 PolarHBondContact O-N 3.23Å
244	G	61.4	Low	66.8	Low	61 Å²	61	89.5 Å²	89.5	63%	0.629	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	5.5	178.1	0	0	0	0	0	115.1	Q241 K246	Q241-G244 PolarHBondContact O-N 2.84Å; G244-K246 PolarHBondContact O-N 2.72Å
245	L	58	Low	64.2	Low	73 Å²	73	95.7 Å²	95.7	38%	0.382	52%	0.518	S	S	.	.			trans	-75.5	90.2	179.3	-66.6	173	0	0	0	110.1	L240 K243	L240-L245 HydrophobicContact CD2-CD1 3.83Å; L240-L245 PolarHBondContact O-N 2.87Å; K243-L245 PolarHBondContact O-N 3.23Å
246	K	51.1	Low	61.9	Low	186 Å²	186	100.9 Å²	100.9	81%	0.809	55%	0.554	S	S	*	*			trans	-61.1	139.8	170.6	-66.8	-177.2	179.2	-179.5	0	109.7	G244 R248	G244-K246 PolarHBondContact O-N 2.72Å; K246-R248 PolarHBondContact O-N 2.64Å
247	P	52.9	Low	59.6	Low	99 Å²	99	106.8 Å²	106.8	64%	0.643	60%	0.595	S	S	*	*			trans	-60.5	122.4	179.9	24.5	-33.7	0	0	0	110.6	Q249	P247-Q249 PolarHBondContact O-N 3.24Å
248	R	47.7	Very low	57.2	Low	207 Å²	207	106.6 Å²	106.6	78%	0.781	62%	0.617	S	S	*	*			trans	-66.7	100	178.6	179.5	-178.3	174.1	177.1	-1.6	110.2	K246 M250	K246-R248 PolarHBondContact O-N 2.64Å; R248-M250 PolarHBondContact O-N 2.68Å
249	Q	49	Very low	55	Low	168 Å²	168	115.1 Å²	115.1	79%	0.785	65%	0.652	S	S	*	*			trans	-59.4	123.3	170.8	-64.8	-174.2	15	0	0	110	P247 N251	P247-Q249 PolarHBondContact O-N 3.24Å; Q249-N251 PolarHBondContact O-N 3.18Å
250	M	46.9	Very low	52.6	Low	166 Å²	166	118.2 Å²	118.2	82%	0.818	68%	0.684	S	S	*	*			trans	-88.7	76.4	-179.2	-70.2	177.4	59.2	0	0	110.5	R248 G252	R248-M250 PolarHBondContact O-N 2.68Å; M250-G252 PolarHBondContact O-N 2.74Å
251	N	34.5	Very low	50.8	Low	154 Å²	154	125.1 Å²	125.1	82%	0.824	72%	0.719	S	S	*	*			trans	-70	79.9	169.2	-85	11.4	0	0	0	110.5	Q249 Q253	Q249-N251 PolarHBondContact O-N 3.18Å; N251-Q253 PolarHBondContact O-N 3.02Å
252	G	44.9	Very low	49.1	Very low	68 Å²	68	126.9 Å²	126.9	70%	0.701	73%	0.732	S	S	*	*			trans	-90.7	89.3	179.1	0	0	0	0	0	112.8	M250	M250-G252 PolarHBondContact O-N 2.74Å
253	Q	43.6	Very low	47.7	Very low	181 Å²	181	130.6 Å²	130.6	85%	0.846	76%	0.755	S	S	*	*			trans	38.2	97.4	148.9	-65.1	174.7	-25	0	0	118.1	N251	N251-Q253 PolarHBondContact O-N 3.02Å
254	A	40.6	Very low	46.5	Very low	104 Å²	104	130.2 Å²	130.2	86%	0.86	78%	0.777	S	S	*	*			trans	-89.5	135.6	150	0	0	0	0	0	109.7
255	T	41.9	Very low	45.6	Very low	134 Å²	134	130.9 Å²	130.9	82%	0.822	78%	0.784	S	S	*	*			trans	-109.1	105.5	-174.2	51.7	0	0	0	0	113
256	S	48.3	Very low	45.1	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	81%	0.807	S	S	*	*			trans	-167.3	127.9	163.1	31.8	0	0	0	0	107.9
257	S	47	Very low	45.4	Very low	125 Å²	125	131.9 Å²	131.9	87%	0.874	81%	0.805	S	S	*	*			cis	99.2	73.9	39.8	74.5	0	0	0	0	114
258	G	43.3	Very low	45.1	Very low	70 Å²	70	132.7 Å²	132.7	72%	0.722	81%	0.81	S	S	*	*			trans	166.3	108	169.3	0	0	0	0	0	110.2
259	K	45.8	Very low	45.2	Very low	224 Å²	224	128 Å²	128	97%	0.974	81%	0.809	S	S	*	*				77.7	120.7	77.7	-87.4	-172.7	171.8	179.3	0	114.4
260	G	39.8	Very low	45	Very low	68 Å²	68	126.4 Å²	126.4	70%	0.701	81%	0.811	S	S	*	*			trans	111.8	96.8	-177.9	0	0	0	0	0	111.1
261	I	48.7	Very low	44.4	Very low	159 Å²	159	126.8 Å²	126.8	82%	0.815	82%	0.815	S	S	*	*				79.4	86.2	50.1	-53.7	169.1	0	0	0	113.1
262	L	46	Very low	44.9	Very low	167 Å²	167	124.9 Å²	124.9	87%	0.874	81%	0.809	S	S	*	*				174	141.4	124.8	-93.5	175	0	0	0	110.8
263	P	40.8	Very low	44.7	Very low	129 Å²	129	127.4 Å²	127.4	84%	0.838	82%	0.816	S	S	*	*			trans	-110.8	147.5	175.9	38.1	-29.9	0	0	0	114.1
264	G	44.1	Very low	44.8	Very low	84 Å²	84	125.9 Å²	125.9	87%	0.866	81%	0.813	S	S	*	*			trans	153.9	136	163.8	0	0	0	0	0	115.1
265	G	43.6	Very low	45.2	Very low	75 Å²	75	125.6 Å²	125.6	77%	0.773	81%	0.81	S	S	*	*			trans	114.3	114.6	171.2	0	0	0	0	0	114.7
266	N	47.8	Very low	45.2	Very low	163 Å²	163	125.7 Å²	125.7	87%	0.872	81%	0.81	S	S	*	*			trans	-90.5	142.6	175.1	-63.9	-33.1	0	0	0	111.2
267	P	55.5	Low	45	Very low	117 Å²	117	125.9 Å²	125.9	76%	0.76	81%	0.812	S	S	*	*			trans	-81.8	163.1	166.9	37.4	-36.2	0	0	0	110.9
268	P	48.5	Very low	44.8	Very low	115 Å²	115	125.5 Å²	125.5	75%	0.747	81%	0.806	S	S	*	*				-151.4	175.6	95.7	40.4	-23.6	0	0	0	116.1
269	S	49.4	Very low	44.6	Very low	109 Å²	109	127.4 Å²	127.4	76%	0.762	81%	0.808	S	S	*	*			trans	72.5	154.6	164.9	-51.1	0	0	0	0	116.2
270	V	44.3	Very low	44.6	Very low	135 Å²	135	124.5 Å²	124.5	82%	0.818	80%	0.803	S	S	*	*			cis	-136	163.5	4.9	-137.9	0	0	0	0	110.8
271	L	34.9	Very low	44.8	Very low	174 Å²	174	129.3 Å²	129.3	91%	0.911	81%	0.812	S	S	*	*			trans	-76.1	125.2	167.3	-72	167.7	0	0	0	111.1
272	T	43.3	Very low	44.7	Very low	113 Å²	113	129 Å²	129	69%	0.693	81%	0.811	S	S	*	*			trans	-138.5	103.2	163.6	-62.4	0	0	0	0	110.1	L274	T272-L274 HydrophobicContact CG2-CD1 3.84Å; T272-L274 HydrophobicContact CG2-CG 3.83Å
273	S	42.6	Very low	44.7	Very low	121 Å²	121	128.4 Å²	128.4	85%	0.846	80%	0.804	S	S	*	*			trans	-86.7	111.3	166.9	53.6	0	0	0	0	109.5
274	L	45.8	Very low	44.8	Very low	149 Å²	149	130.6 Å²	130.6	78%	0.78	80%	0.8	S	S	*	*			trans	-122.2	139.9	169.7	-77.7	172.2	0	0	0	110.5	T272	T272-L274 HydrophobicContact CG2-CD1 3.84Å; T272-L274 HydrophobicContact CG2-CG 3.83Å
275	A	47.7	Very low	44.5	Very low	98 Å²	98	135.5 Å²	135.5	81%	0.81	80%	0.797	S	S	*	*			trans	-76.9	153.4	176.1	0	0	0	0	0	111
276	V	42.2	Very low	44.3	Very low	136 Å²	136	135.8 Å²	135.8	82%	0.824	79%	0.787	S	S	*	*			trans	-123.5	111.1	171	-178.8	0	0	0	0	108.5
277	S	43.7	Very low	44	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	78%	0.779	S	S	*	*			trans	-82.9	129.2	167.3	-60.2	0	0	0	0	109
278	P	42.6	Very low	43.1	Very low	118 Å²	118	132.7 Å²	132.7	77%	0.766	78%	0.777	S	S	*	*			trans	-82.7	129.6	-173.3	31.5	-34.3	0	0	0	112.6
279	S	39.6	Very low	42.6	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	78%	0.778	S	S	*	*			trans	-165.3	150.9	163.2	-82.1	0	0	0	0	109.7
280	L	45.4	Very low	42.2	Very low	164 Å²	164	133.5 Å²	133.5	86%	0.859	78%	0.779	S	S	*	*			trans	67.9	146.5	-169.8	-42.9	170.4	0	0	0	112.3
281	L	45.1	Very low	42.1	Very low	169 Å²	169	133 Å²	133	89%	0.885	78%	0.779	S	S	*	*			cis	-114.1	170.9	4.2	-88	84.6	0	0	0	113.1
282	L	44.8	Very low	42.1	Very low	153 Å²	153	132 Å²	132	80%	0.801	78%	0.775	S	S	*	*			trans	-115.6	164.6	-179.4	-151.3	78.5	0	0	0	110.6
283	Q	47.8	Very low	41.9	Very low	154 Å²	154	133.3 Å²	133.3	72%	0.72	78%	0.777	S	S	*	*			trans	74.4	155.9	175.9	-38.9	179.6	29.1	0	0	114.2
284	K	41.9	Very low	41.6	Very low	175 Å²	175	136.4 Å²	136.4	76%	0.761	78%	0.778	S	S	*	*			cis	-159	156.1	10.1	-150.2	166.8	-175.9	164.4	0	113
285	K	37.4	Very low	40.9	Very low	186 Å²	186	134.7 Å²	134.7	81%	0.809	77%	0.773	S	S	*	*			trans	79.2	147.2	150.8	-152.7	67.6	177.1	-179.5	0	119.4
286	S	39.9	Very low	40.3	Very low	81 Å²	81	137.1 Å²	137.1	57%	0.566	77%	0.771	S	S	*	*			trans	-77.1	-179.7	-178.8	58.1	0	0	0	0	113.1
287	T	41.1	Very low	39.6	Very low	112 Å²	112	136.7 Å²	136.7	69%	0.687	77%	0.769	S	S	*	*			cis	-168.9	141.6	37.5	-26.3	0	0	0	0	114.3
288	S	36.6	Very low	39.3	Very low	103 Å²	103	136.9 Å²	136.9	72%	0.72	77%	0.77	S	S	*	*			trans	55.6	150.6	141.4	61.6	0	0	0	0	125.8
289	V	39.5	Very low	38.7	Very low	128 Å²	128	137.9 Å²	137.9	78%	0.776	77%	0.774	S	S	*	*			trans	98.6	92.8	154.6	-163.8	0	0	0	0	119.5
290	S	40.9	Very low	38.7	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	78%	0.782	S	S	*	*				31.7	153.2	129.6	-53.1	0	0	0	0	125.1
291	P	41.8	Very low	37.9	Very low	125 Å²	125	139.3 Å²	139.3	81%	0.812	78%	0.776	S	S	*	*			trans	-108.5	-178.8	-168.8	43.8	-36.6	0	0	0	115.2
292	N	34.8	Very low	37.5	Very low	153 Å²	153	139.5 Å²	139.5	82%	0.818	77%	0.772	S	S	*	*			trans	-149.4	168.9	156.1	-144.6	-19.5	0	0	0	113.1
293	L	38.3	Very low	37.1	Very low	141 Å²	141	138 Å²	138	74%	0.738	77%	0.765	S	S	*	*			trans	-81.5	161.1	-174.1	-77.9	61.7	0	0	0	113.4
294	E	36.7	Very low	36.1	Very low	185 Å²	185	137.1 Å²	137.1	86%	0.864	77%	0.765	S	S	*	*				-148.9	157.5	124.6	-134.4	168.4	-139.7	0	0	111.8
295	V	31.6	Very low	35.7	Very low	113 Å²	113	134.5 Å²	134.5	69%	0.685	76%	0.763	S	S	*	*			trans	-133.9	125.6	-173.8	172.7	0	0	0	0	109.3
296	I	35.1	Very low	35.3	Very low	150 Å²	150	131.4 Å²	131.4	77%	0.769	76%	0.76	S	S	*	*			trans	-134	111.8	168.3	-56.2	-179.3	0	0	0	109.4
297	T	27.5	Very low	35	Very low	127 Å²	127	134.6 Å²	134.6	78%	0.779	78%	0.776	S	S	*	*			trans	-96.5	131.7	162	43.3	0	0	0	0	109.5
298	S	36.7	Very low	34.4	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	78%	0.781	S	S	*	*			trans	-135.7	120.8	161.8	-64.5	0	0	0	0	109.4
299	T	30.1	Very low	34.4	Very low	139 Å²	139	137.6 Å²	137.6	85%	0.853	79%	0.791	S	S	*	*			trans	-94	134.4	171.7	48	0	0	0	0	109.5
300	E	39.2	Very low	34.1	Very low	200 Å²	200	135.4 Å²	135.4	94%	0.935	79%	0.794	S	S	*	*			trans	-142.7	154.5	163.6	-118.6	165.6	-144.4	0	0	110.2
301	S	29.7	Very low	33.8	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	79%	0.794	S	S	*	*			trans	-142.8	176.8	-166.8	53.4	0	0	0	0	110.6
302	E	35.7	Very low	33.8	Very low	174 Å²	174	134.2 Å²	134.2	81%	0.813	80%	0.798	S	S	*	*			trans	71.3	161.1	176.4	-59.4	-160	109.6	0	0	115.7
303	L	36.5	Very low	33.7	Very low	122 Å²	122	131.5 Å²	131.5	64%	0.639	80%	0.796	S	S	*	*			cis	-168.8	124.1	-32.8	172.5	69.2	0	0	0	108.8
304	N	27.8	Very low	33.5	Very low	135 Å²	135	130.4 Å²	130.4	72%	0.722	80%	0.8	S	S	*	*			trans	57.6	173.2	168.8	-62	-26.5	0	0	0	115.3
305	T	32.7	Very low	33.8	Very low	119 Å²	119	127.4 Å²	127.4	73%	0.73	79%	0.789	S	S	*	*			cis	-145.7	156.2	7.8	-31.2	0	0	0	0	111.2
306	T	28.8	Very low	34.3	Very low	121 Å²	121	128.1 Å²	128.1	74%	0.742	79%	0.788	S	S	*	*			trans	-8.7	136.3	165.9	55.2	0	0	0	0	121.1
307	T	33.1	Very low	34.6	Very low	148 Å²	148	126.2 Å²	126.2	91%	0.908	79%	0.788	S	S	*	*				-156.6	155.9	124	3.3	0	0	0	0	112.1
308	T	29.5	Very low	35.3	Very low	127 Å²	127	124.8 Å²	124.8	78%	0.779	78%	0.776	S	S	*	*			trans	-106.1	142.7	-167.8	48.2	0	0	0	0	114.3
309	T	36.1	Very low	35.7	Very low	152 Å²	152	121.3 Å²	121.3	93%	0.933	75%	0.748	S	S	*	*			trans	-161.5	92.6	153.2	5.2	0	0	0	0	115.3
310	G	32.9	Very low	36.6	Very low	82 Å²	82	122.5 Å²	122.5	85%	0.845	74%	0.741	S	S	*	*			trans	52.1	82.2	133.7	0	0	0	0	0	124.7
311	G	34.2	Very low	36.8	Very low	76 Å²	76	117.7 Å²	117.7	78%	0.784	72%	0.721	S	S	*	*			trans	72.1	-173.3	131.2	0	0	0	0	0	120.3
312	P	43.5	Very low	36.9	Very low	137 Å²	137	122.8 Å²	122.8	89%	0.89	73%	0.725	S	S	*	*			cis	-99.9	165.4	-1.6	39.1	-33.2	0	0	0	114.1
313	A	31.9	Very low	36.8	Very low	96 Å²	96	117.8 Å²	117.8	79%	0.793	71%	0.714	S	S	*	*			trans	-112.3	142.7	176.3	0	0	0	0	0	112.3
314	S	33.2	Very low	36.8	Very low	117 Å²	117	117.5 Å²	117.5	82%	0.818	72%	0.717	S	S	*	*			trans	-171.2	173.1	163.7	-85.4	0	0	0	0	110.4
315	I	43.9	Very low	37.1	Very low	123 Å²	123	116.1 Å²	116.1	63%	0.631	72%	0.718	S	S	*	*			trans	69.2	71.3	179.2	-43.7	164	0	0	0	114.1
316	L	41.8	Very low	37.5	Very low	128 Å²	128	115.8 Å²	115.8	67%	0.67	72%	0.718	S	S	*	*			trans	-138.5	10.4	164.1	-89.9	175.2	0	0	0	113.4	T36 N318	T36-L316 HydrophobicContact CG2-CD2 4.37Å; L316-N318 VanDerWaalsContact C-N 3.27Å; L316-N318 PolarHBondContact O-N 3.04Å
317	S	40.8	Very low	37.6	Very low	110 Å²	110	116.5 Å²	116.5	77%	0.769	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-19	-169	50.3	0	0	0	0	116.1
318	N	42	Very low	37.9	Very low	96 Å²	96	116.6 Å²	116.6	51%	0.513	72%	0.716	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.1	-7.6	-167.3	-62.7	17.4	0	0	0	113.4	L316 K320	L316-N318 VanDerWaalsContact C-N 3.27Å; L316-N318 PolarHBondContact O-N 3.04Å; N318-K320 PolarHBondContact O-N 2.98Å
319	L	46.8	Very low	38	Very low	42 Å²	42	115.2 Å²	115.2	22%	0.22	72%	0.718	C	S	.	*			trans	-74.8	88.4	-173.1	-154.4	80.4	0	0	0	111.3	V32 T36 I40 L321	V32-L319 HydrophobicContact CG2-CD1 4.29Å; T36-L319 HydrophobicContact CG2-CD2 3.76Å; I40-L319 HydrophobicContact CD1-CD2 4.11Å; L319-L321 HydrophobicContact CD2-CD1 4.21Å; L319-L321 HydrophobicContact CD2-CD2 4.27Å; L319-L321 HydrophobicContact CD2-CG 4.16Å; L319-L321 HydrophobicContact CG-CD2 4.45Å; L319-L321 HydrophobicContact CG-CG 4.36Å; L319-L321 PolarHBondContact O-N 2.86Å
320	K	49.1	Very low	38.2	Very low	164 Å²	164	114.3 Å²	114.3	71%	0.713	71%	0.712	S	S	*	*			trans	-80.8	60	-169.9	-162.7	153	-175.5	169.7	0	113.5	N318 R322	N318-K320 PolarHBondContact O-N 2.98Å; K320-R322 PolarHBondContact O-N 3.28Å
321	L	42.6	Very low	38.3	Very low	99 Å²	99	116 Å²	116	52%	0.518	71%	0.711	S	S	.	*			trans	-60	121.6	170.7	-58.7	179.4	0	0	0	109.7	I40 L319	I40-L321 HydrophobicContact CD1-CD1 4.02Å; I40-L321 HydrophobicContact CD1-CD2 4.05Å; I40-L321 HydrophobicContact CG2-CD2 4.13Å; L319-L321 HydrophobicContact CD2-CD1 4.21Å; L319-L321 HydrophobicContact CD2-CD2 4.27Å; L319-L321 HydrophobicContact CD2-CG 4.16Å; L319-L321 HydrophobicContact CG-CD2 4.45Å; L319-L321 HydrophobicContact CG-CG 4.36Å; L319-L321 PolarHBondContact O-N 2.86Å
322	R	32.2	Very low	38.6	Very low	210 Å²	210	115.9 Å²	115.9	79%	0.792	71%	0.71	S	S	*	*			trans	-130.1	85.6	174.3	-167.1	175.8	-160.9	155.8	6.5	109.1	K320	K320-R322 PolarHBondContact O-N 3.28Å
323	A	34.3	Very low	38.3	Very low	70 Å²	70	117.2 Å²	117.2	58%	0.579	71%	0.708	S	S	*	*			trans	-59.4	136.4	176.6	0	0	0	0	0	111	E42	E42-A323 WeakPolarHBondContact OE2-CA 3.3Å; E42-A323 WeakPolarHBondContact OE2-CB 3.48Å
324	T	35.4	Very low	38.6	Very low	115 Å²	115	122.4 Å²	122.4	71%	0.706	71%	0.713	S	S	*	*			trans	-126	83.5	178.5	54.1	0	0	0	0	109.7
325	S	35.1	Very low	38.8	Very low	106 Å²	106	121 Å²	121	74%	0.741	71%	0.708	S	S	*	*			trans	-58.3	126.4	178.8	-46.3	0	0	0	0	111.5	T327	S325-T327 PolarHBondContact O-N 2.87Å
326	P	39.5	Very low	38.9	Very low	112 Å²	112	120 Å²	120	73%	0.727	71%	0.71	S	S	*	*			trans	-78.5	117.6	172.2	30.4	-32	0	0	0	110.3	L328	P326-L328 HydrophobicContact CB-CD1 4.4Å; P326-L328 PolarHBondContact O-N 3.18Å; P326-L328 VanDerWaalsContact O-N 3.08Å
327	T	32	Very low	38.8	Very low	137 Å²	137	120.9 Å²	120.9	84%	0.84	72%	0.715	S	S	*	*			trans	-74.2	96.9	174.2	-54.5	0	0	0	0	110.4	S325	S325-T327 PolarHBondContact O-N 2.87Å
328	L	38.9	Very low	38.9	Very low	149 Å²	149	120.2 Å²	120.2	78%	0.78	71%	0.711	S	S	*	*			trans	-82.6	124.4	161.3	-90	73.1	0	0	0	109.4	P326	P326-L328 HydrophobicContact CB-CD1 4.4Å; P326-L328 PolarHBondContact O-N 3.18Å; P326-L328 VanDerWaalsContact O-N 3.08Å
329	A	31.6	Very low	38.8	Very low	98 Å²	98	122.2 Å²	122.2	81%	0.81	72%	0.721	S	S	*	*			trans	-91.2	132.8	170	0	0	0	0	0	110.1
330	T	40.6	Very low	38.2	Very low	133 Å²	133	129.8 Å²	129.8	82%	0.816	75%	0.747	S	S	*	*			trans	-130.8	137.8	172.4	-54.5	0	0	0	0	109.3
331	S	35.9	Very low	37.6	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	75%	0.747	S	S	*	*			trans	-78.3	148.6	-174.9	44.2	0	0	0	0	113.2
332	G	39.4	Very low	37.4	Very low	74 Å²	74	131.9 Å²	131.9	76%	0.763	76%	0.757	S	S	*	*			trans	-162.1	39.7	-167.5	0	0	0	0	0	118.2
333	I	37.4	Very low	37.6	Very low	164 Å²	164	125 Å²	125	84%	0.841	75%	0.752	S	S	*	*			trans	22.4	104.1	153.8	-48.5	167.4	0	0	0	118.4
334	K	37.1	Very low	37.9	Very low	206 Å²	206	127.4 Å²	127.4	90%	0.896	76%	0.764	S	S	*	*				-171.8	156.9	123.4	-113.5	174.5	179.7	176.1	0	113.8
335	A	39.2	Very low	38.1	Very low	87 Å²	87	129.4 Å²	129.4	72%	0.719	77%	0.766	S	S	*	*			trans	-141	-172.3	174.6	0	0	0	0	0	107.5
336	P	44.9	Very low	38.3	Very low	102 Å²	102	130 Å²	130	66%	0.662	77%	0.769	S	S	*	*			cis	-134.4	177.1	-5.2	37.1	-17.9	0	0	0	115
337	N	40.4	Very low	38.2	Very low	146 Å²	146	131 Å²	131	78%	0.781	77%	0.767	S	S	*	*				172.4	135.6	116.6	-91.3	-27.9	0	0	0	117.1
338	S	41.9	Very low	38.6	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	77%	0.77	S	S	*	*			trans	66.3	129.8	143.6	-71.9	0	0	0	0	125.1
339	N	39.4	Very low	38.3	Very low	138 Å²	138	131 Å²	131	74%	0.738	77%	0.767	S	S	*	*			trans	74.6	145.8	146.2	-64.6	-26.9	0	0	0	120.1
340	R	36.2	Very low	38.7	Very low	200 Å²	200	131.8 Å²	131.8	76%	0.755	77%	0.766	S	S	*	*			cis	-168	166.8	-27.2	-161.5	-174.6	-99.3	-159	-7.1	107.7
341	F	36.3	Very low	38.7	Very low	166 Å²	166	135.1 Å²	135.1	73%	0.728	77%	0.769	S	S	*	*			trans	73.4	157.7	172.1	-82.7	-103.4	0	0	0	117.4
342	I	36.6	Very low	39.2	Very low	142 Å²	142	137.3 Å²	137.3	73%	0.728	77%	0.771	S	S	*	*				-178.2	140.8	-55.7	-100.5	160.2	0	0	0	108.6
343	G	37.5	Very low	40.4	Very low	66 Å²	66	139.2 Å²	139.2	68%	0.68	77%	0.77	S	S	*	*			trans	86.2	151.8	166.8	0	0	0	0	0	116.1
344	S	39.5	Very low	41	Very low	119 Å²	119	136.4 Å²	136.4	83%	0.832	76%	0.762	S	S	*	*			cis	-157.1	155.9	-7.5	-79.2	0	0	0	0	111.3
345	Q	40	Very low	41.4	Very low	158 Å²	158	132.6 Å²	132.6	74%	0.738	76%	0.756	S	S	*	*			trans	-1.3	143.1	160.9	-52.3	-64.9	6.1	0	0	118.5
346	S	40.6	Very low	42	Very low	117 Å²	117	134.3 Å²	134.3	82%	0.818	76%	0.76	S	S	*	*				-164.5	146.1	64.8	-62.1	0	0	0	0	117.5
347	I	37.3	Very low	41.9	Very low	134 Å²	134	134.6 Å²	134.6	69%	0.687	76%	0.762	S	S	*	*			trans	-40.6	144.7	167.4	-63.8	149.8	0	0	0	116.9
348	L	39.4	Very low	42.1	Very low	169 Å²	169	134.5 Å²	134.5	89%	0.885	76%	0.762	S	S	*	*			trans	-162.1	152.4	130.7	-107.8	167.8	0	0	0	111.8
349	T	32.7	Very low	42	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	77%	0.768	S	S	*	*			trans	-145.9	149.3	-164.6	56.4	0	0	0	0	114.7
350	S	40.7	Very low	42	Very low	113 Å²	113	137 Å²	137	79%	0.79	77%	0.77	S	S	*	*			trans	168.2	158	156.1	44.6	0	0	0	0	110.2
351	K	39.6	Very low	42.1	Very low	204 Å²	204	133.3 Å²	133.3	89%	0.887	77%	0.77	S	S	*	*			cis	-156.5	152.1	-27.5	-112.7	-177.5	177.9	179.7	0	107.2
352	L	46.5	Very low	42.2	Very low	164 Å²	164	131.7 Å²	131.7	86%	0.859	77%	0.774	S	S	*	*			trans	-119.1	159.9	177.1	-123.4	83.7	0	0	0	111.9
353	P	64.9	Low	42.3	Very low	114 Å²	114	132 Å²	132	74%	0.74	77%	0.772	S	S	*	*			trans	-116.6	159.9	152.6	25.3	-7.7	0	0	0	113.4
354	P	50.7	Low	42.4	Very low	104 Å²	104	135.8 Å²	135.8	68%	0.675	78%	0.776	S	S	*	*			trans	-141	170.2	-150.7	40.3	-20.6	0	0	0	119.5
355	T	44.4	Very low	42.5	Very low	127 Å²	127	135 Å²	135	78%	0.779	77%	0.77	S	S	*	*			trans	67	168.9	151.3	36.5	0	0	0	0	119
356	P	53	Low	42.6	Very low	123 Å²	123	132.1 Å²	132.1	80%	0.799	77%	0.768	S	S	*	*			cis	-130.5	176.8	9.7	43.1	-27	0	0	0	118
357	P	43.3	Very low	42.6	Very low	108 Å²	108	131.1 Å²	131.1	70%	0.701	76%	0.761	S	S	*	*			trans	-120.7	161.9	176.9	41.7	-30.7	0	0	0	116.4
358	N	43.6	Very low	42.8	Very low	144 Å²	144	132.9 Å²	132.9	77%	0.77	77%	0.766	S	S	*	*			trans	-169.6	136	154.7	-97.8	-22.8	0	0	0	108.1
359	Q	39.4	Very low	42.9	Very low	175 Å²	175	132.3 Å²	132.3	82%	0.818	76%	0.759	S	S	*	*				88.8	103	51.3	-77.4	-155.4	68	0	0	116
360	S	39.7	Very low	43.2	Very low	112 Å²	112	132.9 Å²	132.9	78%	0.783	75%	0.753	S	S	*	*			trans	-169.7	117.8	138.3	26	0	0	0	0	110.5
361	V	38.7	Very low	43.1	Very low	123 Å²	123	134.7 Å²	134.7	75%	0.745	75%	0.749	S	S	*	*				47.4	113.3	103.1	-159.3	0	0	0	0	113.9
362	T	38.4	Very low	43	Very low	131 Å²	131	132.1 Å²	132.1	80%	0.804	74%	0.74	S	S	*	*				-177.9	176.5	87.6	-53.1	0	0	0	0	109
363	Q	38.5	Very low	42.7	Very low	148 Å²	148	133.3 Å²	133.3	69%	0.692	74%	0.742	S	S	*	*				-162.6	178	-75.7	-156.2	-167.9	96.4	0	0	108.2
364	L	40.1	Very low	41.5	Very low	147 Å²	147	135.6 Å²	135.6	77%	0.77	74%	0.742	S	S	*	*			trans	71.4	153.1	168.2	-54.8	159.3	0	0	0	115.8
365	S	40.7	Very low	41.1	Very low	101 Å²	101	138.7 Å²	138.7	71%	0.706	75%	0.748	S	S	*	*			cis	-179.2	157.1	-16.8	50.3	0	0	0	0	108.5
366	S	41.6	Very low	41.1	Very low	98 Å²	98	140.9 Å²	140.9	69%	0.685	75%	0.749	S	S	*	*			cis	-176	173.2	-18.7	55.4	0	0	0	0	109.5
367	S	40.7	Very low	40.6	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	74%	0.743	S	S	*	*			trans	63.4	156.4	159.6	37.9	0	0	0	0	119.2
368	Q	42.5	Very low	40.3	Very low	171 Å²	171	142.2 Å²	142.2	80%	0.799	75%	0.748	S	S	*	*			cis	-158.8	150.2	-13.6	-103.9	161.9	6.8	0	0	106.6
369	Q	40.6	Very low	40.3	Very low	157 Å²	157	140.7 Å²	140.7	73%	0.734	75%	0.748	S	S	*	*				47.9	139.5	83.1	-61.2	-166.9	20.6	0	0	115
370	Q	40	Very low	40.4	Very low	131 Å²	131	141.6 Å²	141.6	61%	0.612	75%	0.75	S	S	*	*			cis	-165.3	167.9	5	-119.2	-175	68.5	0	0	111.7
371	Q	39.4	Very low	40.5	Very low	150 Å²	150	141.3 Å²	141.3	70%	0.701	75%	0.745	S	S	*	*			trans	43.9	118.5	147.7	-64.2	-167.2	38.4	0	0	122.1
372	Q	37.3	Very low	40.6	Very low	151 Å²	151	141.4 Å²	141.4	71%	0.706	75%	0.746	S	S	*	*				82.1	112	82.2	-80.6	-162.1	57	0	0	119.1
373	Q	40.2	Very low	40.5	Very low	189 Å²	189	140.7 Å²	140.7	88%	0.883	74%	0.741	S	S	*	*			trans	-177.4	129	140.7	-100.7	155.8	95.4	0	0	107.1
374	Q	39.5	Very low	40.4	Very low	161 Å²	161	139 Å²	139	75%	0.752	74%	0.741	S	S	*	*			cis	85.1	93.1	45.6	-76.1	-150.9	53.9	0	0	116.5
375	Q	41.7	Very low	40	Very low	169 Å²	169	140.7 Å²	140.7	79%	0.79	75%	0.745	S	S	*	*			trans	-163.9	124.4	138.1	-106.2	149.8	100.9	0	0	108.2
376	Q	45.2	Very low	39.9	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	75%	0.749	S	S	*	*				70.5	127.7	96.6	-72.2	-168.4	42.9	0	0	114
377	T	40.5	Very low	39.7	Very low	108 Å²	108	142.7 Å²	142.7	66%	0.663	75%	0.754	S	S	*	*			cis	-148.7	151.4	4.4	52.1	0	0	0	0	114.6
378	N	38	Very low	39.6	Very low	151 Å²	151	142.3 Å²	142.3	81%	0.807	75%	0.751	S	S	*	*			trans	66.4	137.5	141.7	-70.3	-3.6	0	0	0	125.8
379	S	43.3	Very low	39.6	Very low	112 Å²	112	141.5 Å²	141.5	78%	0.783	75%	0.751	S	S	*	*			trans	58.2	83.2	143.2	58.7	0	0	0	0	122.6
380	K	40.9	Very low	39.4	Very low	195 Å²	195	138.7 Å²	138.7	85%	0.848	75%	0.745	S	S	*	*				-22.3	167.4	118.3	-82.1	-175.4	179.4	-180	0	116.7
381	P	43	Very low	39.5	Very low	105 Å²	105	140.7 Å²	140.7	68%	0.682	76%	0.755	S	S	*	*			cis	-147.6	-162.3	-26.5	39.9	-18.9	0	0	0	115.2
382	V	39.7	Very low	39.5	Very low	126 Å²	126	139 Å²	139	76%	0.764	76%	0.755	S	S	*	*			trans	95.1	138.1	139.8	150.4	0	0	0	0	121.5
383	T	36.2	Very low	39.7	Very low	116 Å²	116	136.3 Å²	136.3	71%	0.712	75%	0.752	S	S	*	*			trans	74	93.7	162.9	-61.1	0	0	0	0	121.6
384	T	36.8	Very low	39.6	Very low	113 Å²	113	132.9 Å²	132.9	69%	0.693	74%	0.744	S	S	*	*				54.6	115.5	114.9	-42.1	0	0	0	0	122.2
385	Q	32.2	Very low	39.2	Very low	181 Å²	181	131.3 Å²	131.3	85%	0.846	75%	0.746	S	S	*	*			trans	47.3	118.4	149.5	-61.5	-177.5	11	0	0	119.8
386	S	38.6	Very low	39.1	Very low	112 Å²	112	131.5 Å²	131.5	78%	0.783	75%	0.752	S	S	*	*			trans	-149.9	152.5	153.6	-79.9	0	0	0	0	110.9
387	T	38.4	Very low	38.5	Very low	129 Å²	129	128.4 Å²	128.4	79%	0.791	75%	0.749	S	S	*	*			trans	-11.7	152.4	144	35.6	0	0	0	0	116.9
388	S	38.1	Very low	38.2	Very low	88 Å²	88	134.4 Å²	134.4	62%	0.615	76%	0.76	S	S	*	*			cis	175.8	-172.5	4.7	45.3	0	0	0	0	109.8
389	L	42.7	Very low	37.9	Very low	154 Å²	154	135.2 Å²	135.2	81%	0.806	76%	0.756	S	S	*	*			trans	70.2	170.4	160.7	-56.4	164.7	0	0	0	115.8
390	T	35.9	Very low	37.7	Very low	99 Å²	99	135.8 Å²	135.8	61%	0.607	75%	0.746	S	S	*	*			cis	-175.6	134.5	-43.8	-81.4	0	0	0	0	106.7
391	Q	41.4	Very low	37.5	Very low	173 Å²	173	134.2 Å²	134.2	81%	0.808	74%	0.742	S	S	*	*			trans	173.1	113.8	142.1	-99.6	156	103	0	0	111.5
392	T	40	Very low	37.2	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	74%	0.741	S	S	*	*				74.8	141.6	94.4	60.6	0	0	0	0	115.6
393	S	42.4	Very low	37.2	Very low	94 Å²	94	133.5 Å²	133.5	66%	0.657	74%	0.739	S	S	*	*			cis	-164.2	146.1	-5.7	-107.2	0	0	0	0	115.2
394	T	37.8	Very low	37.4	Very low	117 Å²	117	132.6 Å²	132.6	72%	0.718	74%	0.738	S	S	*	*			trans	44.1	114.5	140.2	65.1	0	0	0	0	123
395	T	31.4	Very low	37.5	Very low	129 Å²	129	134.3 Å²	134.3	79%	0.791	74%	0.743	S	S	*	*				-4.1	142.5	122.9	34.7	0	0	0	0	119.8
396	L	38.3	Very low	37.9	Very low	173 Å²	173	130.7 Å²	130.7	91%	0.906	74%	0.738	S	S	*	*			trans	-154.2	149.3	147.2	-112.7	170.9	0	0	0	111.4
397	S	32.3	Very low	38.1	Very low	108 Å²	108	131 Å²	131	76%	0.755	74%	0.737	S	S	*	*			trans	-139	142.4	-177.9	-54.3	0	0	0	0	110.4
398	R	33.9	Very low	38.1	Very low	233 Å²	233	130.4 Å²	130.4	88%	0.879	74%	0.738	S	S	*	*			trans	161.5	102.7	143.3	178.6	174.2	-69.3	-179	-2.2	114.7
399	K	32.6	Very low	38.2	Very low	168 Å²	168	130.9 Å²	130.9	73%	0.73	74%	0.741	S	S	*	*				50.9	148	122.7	-154.7	-172.9	171.2	-142.7	0	121.9
400	H	39.7	Very low	38	Very low	125 Å²	125	129.2 Å²	129.2	58%	0.579	74%	0.738	S	S	*	*			trans	93.5	119.5	170.8	-64	-84.2	0	0	0	114.4
401	Q	36.5	Very low	38.1	Very low	161 Å²	161	132 Å²	132	75%	0.752	74%	0.744	S	S	*	*				91.3	126	57.2	-175	177.2	10.9	0	0	110.1
402	S	36.7	Very low	38	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	74%	0.74	S	S	*	*			cis	-172.6	-175.4	2.8	39.1	0	0	0	0	112.7
403	V	40.3	Very low	37.9	Very low	120 Å²	120	134 Å²	134	73%	0.727	75%	0.745	S	S	*	*			trans	97.6	122.1	153.2	-167.2	0	0	0	0	119.5
404	S	40.5	Very low	37.6	Very low	98 Å²	98	136.4 Å²	136.4	69%	0.685	76%	0.756	S	S	*	*			trans	65.5	156.4	155.1	70.5	0	0	0	0	119.8
405	N	37.6	Very low	37.5	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	76%	0.759	S	S	*	*			cis	-158.5	157.2	-15.8	-110.9	1.1	0	0	0	111.5
406	S	40.4	Very low	37.8	Very low	105 Å²	105	133.8 Å²	133.8	73%	0.734	75%	0.748	S	S	*	*			trans	45.3	133.8	147.2	-52.1	0	0	0	0	123.9
407	P	43	Very low	37.7	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	75%	0.747	S	S	*	*			trans	-107.1	-160.5	174.6	43	-36.5	0	0	0	114.9
408	S	39.1	Very low	38	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	75%	0.748	S	S	*	*			trans	90.5	153.3	-174.2	78.8	0	0	0	0	114.2
409	S	39.8	Very low	38.4	Very low	97 Å²	97	133.3 Å²	133.3	68%	0.678	74%	0.743	S	S	*	*			cis	-149.2	139.7	11.7	-50.4	0	0	0	0	110
410	T	39.2	Very low	38.6	Very low	119 Å²	119	130.7 Å²	130.7	73%	0.73	74%	0.743	S	S	*	*				90.5	124.1	98.7	-64.7	0	0	0	0	117.3
411	E	38.2	Very low	38.9	Very low	159 Å²	159	130.5 Å²	130.5	74%	0.743	75%	0.751	S	S	*	*			trans	65.1	164.1	159.7	-76.5	173.8	-166.5	0	0	119.2
412	Q	39.4	Very low	38.9	Very low	153 Å²	153	129.2 Å²	129.2	72%	0.715	75%	0.749	S	S	*	*			cis	-145.9	175.5	11.9	-142.9	161.6	72.4	0	0	114.4
413	Q	36.2	Very low	39.2	Very low	174 Å²	174	131.1 Å²	131.1	81%	0.813	75%	0.749	S	S	*	*			trans	-54.5	153.7	-170.6	-54.2	158.1	19.5	0	0	118.7
414	T	36.4	Very low	39	Very low	146 Å²	146	132.4 Å²	132.4	90%	0.896	75%	0.752	S	S	*	*				-147.5	148.5	128.7	44.2	0	0	0	0	111.7
415	S	36	Very low	38.9	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	75%	0.752	S	S	*	*			trans	-89.9	-179.8	175.2	70.6	0	0	0	0	111.3
416	S	37.5	Very low	38.7	Very low	81 Å²	81	134 Å²	134	57%	0.566	75%	0.753	S	S	*	*			cis	-167.7	165.4	3.2	16.8	0	0	0	0	108.9
417	F	36.4	Very low	38.7	Very low	200 Å²	200	136.3 Å²	136.3	88%	0.877	76%	0.756	S	S	*	*				152	155.3	127.7	-84.7	-68	0	0	0	113.8
418	I	37.8	Very low	38.4	Very low	150 Å²	150	136.5 Å²	136.5	77%	0.769	76%	0.755	S	S	*	*			trans	-126	138.5	-165.5	-70.2	170.4	0	0	0	109.6
419	I	43.2	Very low	38.1	Very low	153 Å²	153	137.2 Å²	137.2	79%	0.785	75%	0.754	S	S	*	*			trans	-141.5	118	166.2	-52.9	177.7	0	0	0	110.5	V421	I419-V421 HydrophobicContact CG2-CG2 3.84Å
420	P	37.4	Very low	38	Very low	114 Å²	114	138.1 Å²	138.1	74%	0.74	76%	0.76	S	S	*	*			trans	-116.4	126.9	154	34.8	-24.3	0	0	0	110.2
421	V	45.3	Very low	37.8	Very low	120 Å²	120	140.1 Å²	140.1	73%	0.727	76%	0.761	S	S	*	*			trans	-103.2	110.5	175.3	-176.2	0	0	0	0	109.8	I419 M423	I419-V421 HydrophobicContact CG2-CG2 3.84Å; V421-M423 HydrophobicContact CG1-CG 4Å
422	N	37.5	Very low	37.7	Very low	135 Å²	135	140.2 Å²	140.2	72%	0.722	77%	0.766	S	S	*	*			trans	-90.2	133.5	164.7	-177.4	9	0	0	0	109
423	M	42.6	Very low	37.4	Very low	135 Å²	135	140.8 Å²	140.8	67%	0.665	77%	0.769	S	S	*	*			trans	-132.4	74.6	-179.7	-93.8	-78.5	-80.9	0	0	111.1	V421 Q425	V421-M423 HydrophobicContact CG1-CG 4Å; M423-Q425 PolarHBondContact O-N 3.37Å
424	N	35	Very low	37.4	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	77%	0.768	S	S	*	*			trans	-72.9	113.1	157.1	-93.1	-12.5	0	0	0	109
425	Q	38.3	Very low	37.1	Very low	147 Å²	147	140.1 Å²	140.1	69%	0.687	77%	0.765	S	S	*	*			trans	-134	111.3	156.9	-87.5	-169.8	56.4	0	0	110.6	M423	M423-Q425 PolarHBondContact O-N 3.37Å
426	T	34.2	Very low	37.4	Very low	134 Å²	134	143.8 Å²	143.8	82%	0.822	77%	0.767	S	S	*	*			trans	-73.6	127.2	168.2	-51.4	0	0	0	0	109.1
427	I	40.3	Very low	37.4	Very low	153 Å²	153	149.1 Å²	149.1	79%	0.785	78%	0.78	S	S	*	*			trans	-116.5	131.5	168.4	-62.9	-177.5	0	0	0	108.6
428	T	36.2	Very low	38	Very low	124 Å²	124	144.8 Å²	144.8	76%	0.761	77%	0.772	S	S	*	*			trans	-83.5	148.6	-163.8	-52.7	0	0	0	0	113.4
429	T	33.1	Very low	38.2	Very low	130 Å²	130	143 Å²	143	80%	0.798	77%	0.77	S	S	*	*			trans	-56.7	134.9	176.9	-47.5	0	0	0	0	114.1
430	S	37.9	Very low	37.9	Very low	116 Å²	116	141 Å²	141	81%	0.811	77%	0.77	S	S	*	*			trans	-134.1	121.3	156.2	62.5	0	0	0	0	110.6
431	Q	35.2	Very low	38.1	Very low	161 Å²	161	142.6 Å²	142.6	75%	0.752	77%	0.77	S	S	*	*			trans	-61.7	141.3	-176.5	-64.6	-121.7	23.3	0	0	113.4
432	L	36.4	Very low	37.7	Very low	161 Å²	161	142.8 Å²	142.8	84%	0.843	77%	0.772	S	S	*	*			trans	-148.3	113.6	154.1	-109.1	172.1	0	0	0	110.6
433	Q	33.1	Very low	37.9	Very low	166 Å²	166	143.1 Å²	143.1	78%	0.776	77%	0.772	S	S	*	*			trans	-85.8	119.9	178.6	-65.3	175.3	-14.6	0	0	110.7
434	L	36.2	Very low	37.7	Very low	151 Å²	151	142 Å²	142	79%	0.791	78%	0.775	S	S	*	*			trans	-128	85	158.2	-95.5	99.4	0	0	0	111.4	K436	L434-K436 PolarHBondContact O-N 3.45Å
435	N	30.3	Very low	38	Very low	154 Å²	154	143.7 Å²	143.7	82%	0.824	78%	0.778	S	S	*	*			trans	-68.7	103.1	166.5	174.8	15.3	0	0	0	110.2
436	K	41.1	Very low	38.6	Very low	188 Å²	188	142.7 Å²	142.7	82%	0.817	79%	0.785	S	S	*	*			trans	-147	104	165.6	-108.9	163.8	-171.5	174.5	0	111.8	L434	L434-K436 PolarHBondContact O-N 3.45Å
437	K	37	Very low	39	Very low	192 Å²	192	145.9 Å²	145.9	84%	0.835	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.4	129.7	179.1	-170.7	178.8	-174.2	178.1	0	111.3
438	P	50.4	Low	38.9	Very low	109 Å²	109	148.8 Å²	148.8	71%	0.708	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.7	149.8	173.2	29.5	-34.3	0	0	0	111.1
439	P	42.4	Very low	39.4	Very low	113 Å²	113	147.8 Å²	147.8	73%	0.734	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.9	138.5	-178.6	30.5	-34.6	0	0	0	111.9	I441	P439-I441 PolarHBondContact O-N 3.22Å
440	S	35.3	Very low	39.7	Very low	112 Å²	112	145.3 Å²	145.3	78%	0.783	79%	0.793	S	S	*	*			trans	-72.5	105.5	172.6	52.4	0	0	0	0	110.8	T442	S440-T442 PolarHBondContact O-N 3.21Å
441	I	41.2	Very low	40.3	Very low	147 Å²	147	146.5 Å²	146.5	75%	0.754	79%	0.789	S	S	*	*			trans	-80.7	98.4	174.2	-61.7	178.5	0	0	0	109.1	P439 I443	P439-I441 PolarHBondContact O-N 3.22Å; I441-I443 PolarHBondContact O-N 3.23Å
442	T	37.5	Very low	40.5	Very low	123 Å²	123	146.1 Å²	146.1	76%	0.755	79%	0.792	S	S	*	*			trans	-72.1	106.9	174	-56.6	0	0	0	0	110.4	S440	S440-T442 PolarHBondContact O-N 3.21Å
443	I	42.5	Very low	41.1	Very low	143 Å²	143	146.5 Å²	146.5	73%	0.733	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.5	126.9	173.6	-58.6	177.7	0	0	0	109.2	I441	I441-I443 PolarHBondContact O-N 3.23Å
444	P	39	Very low	42	Very low	112 Å²	112	146.8 Å²	146.8	73%	0.727	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69.1	134.5	-179.5	-18.9	31.9	0	0	0	112.7
445	Q	41.3	Very low	42.7	Very low	182 Å²	182	149 Å²	149	85%	0.85	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72.3	135.6	170.3	-69	-165.5	0.5	0	0	111.3	K447	Q445-K447 PolarHBondContact O-N 3.42Å
446	P	50.9	Low	43.9	Very low	126 Å²	126	150.6 Å²	150.6	82%	0.818	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.4	126	177.2	28.2	-33.5	0	0	0	111.1
447	K	41.2	Very low	44.2	Very low	200 Å²	200	147.3 Å²	147.3	87%	0.87	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.8	136.4	177.2	-66.7	-179.7	179.3	178.3	0	110.6	Q445 S449	Q445-K447 PolarHBondContact O-N 3.42Å; K447-S449 PolarHBondContact O-N 3.11Å; K447-S449 VanDerWaalsContact O-N 3.11Å
448	K	38.3	Very low	45.3	Very low	214 Å²	214	148 Å²	148	93%	0.93	79%	0.793	S	S	*	*			trans	-68.1	103.8	174.5	-66.5	178.5	-179.9	176.9	0	110.7
449	S	47.3	Very low	44.9	Very low	103 Å²	103	152.8 Å²	152.8	72%	0.72	80%	0.803	S	S	*	*			trans	-105	108.8	163.9	55.5	0	0	0	0	109.6	K447 L451	K447-S449 PolarHBondContact O-N 3.11Å; K447-S449 VanDerWaalsContact O-N 3.11Å; S449-L451 PolarHBondContact O-N 3.08Å
450	G	39.6	Very low	45.3	Very low	79 Å²	79	160.7 Å²	160.7	81%	0.814	83%	0.826	S	S	*	*			trans	-79.3	116.2	179.5	0	0	0	0	0	112
451	L	49.9	Very low	45.8	Very low	141 Å²	141	163.2 Å²	163.2	74%	0.738	83%	0.828	S	S	*	*			trans	-101.3	124.2	162.6	-98.3	73.1	0	0	0	109.9	S449 F453	S449-L451 PolarHBondContact O-N 3.08Å; L451-F453 HydrophobicContact CB-CD2 4.45Å; L451-F453 HydrophobicContact CB-CE2 4.18Å; L451-F453 HydrophobicContact CD2-CE2 4.34Å
452	N	39.3	Very low	46.1	Very low	152 Å²	152	164 Å²	164	81%	0.813	83%	0.832	S	S	*	*			trans	-97.5	96.2	-169.5	-163.5	-8.8	0	0	0	110.3	K454	N452-K454 PolarHBondContact O-N 3.45Å
453	F	48.8	Very low	46.6	Very low	169 Å²	169	166.3 Å²	166.3	74%	0.741	84%	0.836	S	S	*	*			trans	-88.6	98.7	-178.2	-85.7	-83.3	0	0	0	112.3	L451 F455	L451-F453 HydrophobicContact CB-CD2 4.45Å; L451-F453 HydrophobicContact CB-CE2 4.18Å; L451-F453 HydrophobicContact CD2-CE2 4.34Å; F453-F455 PolarHBondContact O-N 3.4Å
454	K	51.7	Low	46.8	Very low	173 Å²	173	167.6 Å²	167.6	75%	0.752	84%	0.842	S	S	*	*			trans	-72	114	168.1	-75.7	-177.6	174.3	178.8	0	110.7	N452 F456	N452-K454 PolarHBondContact O-N 3.45Å; K454-F456 PolarHBondContact O-N 3.46Å
455	F	51	Low	47.3	Very low	198 Å²	198	171.1 Å²	171.1	87%	0.868	85%	0.849	S	S	*	*			trans	-73.1	121.9	164.8	-91.6	-96.2	0	0	0	110.6	F453	F453-F455 PolarHBondContact O-N 3.4Å
456	F	56.1	Low	47.7	Very low	187 Å²	187	170.4 Å²	170.4	82%	0.82	85%	0.849	S	S	*	*			trans	-100.6	103.5	167.3	-90.2	-84.1	0	0	0	110.1	K454 K458	K454-F456 PolarHBondContact O-N 3.46Å; F456-K458 PolarHBondContact O-N 3.49Å
457	S	48.7	Very low	47.5	Very low	118 Å²	118	173.6 Å²	173.6	83%	0.825	85%	0.851	S	S	*	*			trans	-76.9	115.8	165.1	-60.6	0	0	0	0	109.9
458	K	58.5	Low	47.9	Very low	207 Å²	207	171.5 Å²	171.5	90%	0.9	85%	0.85	S	S	*	*			trans	-90.8	122.1	160.6	-87.7	-174.9	173.1	178.4	0	109.3	F456	F456-K458 PolarHBondContact O-N 3.49Å
459	K	42	Very low	48.8	Very low	209 Å²	209	168 Å²	168	91%	0.909	84%	0.843	S	S	*	*			trans	-68.7	143.9	156.6	-75.3	-176.4	173.8	-177.7	0	109
460	K	52.4	Low	48.9	Very low	280 Å²	280	173.9 Å²	173.9	100%	1.217	85%	0.854	S	S	*	*			trans	-145.7	0	141.1	-143.6	-175.9	-177.5	-170	0	108.6

Retrieved 460 of 460 residues in 167.2 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).