A0A5K4F8X8_SCHMA Loading...

1-phosphatidylinositol-5-phosphate 4-kinase

AlphaFold DB , UniProt , Accession A0A5K4F8X8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 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	46.8	Very low	47.7	Very low	244 Å²	244	171.2 Å²	171.2	100%	1.202	87%	0.873	S	S	*	*				0	131	0	-67.2	176.1	176.7	0	0	107.7
2	A	43.1	Very low	47.8	Very low	103 Å²	103	170 Å²	170	85%	0.851	87%	0.867	S	S	*	*			trans	-106.7	122.3	177	0	0	0	0	0	109.6
3	T	49.8	Very low	47.4	Very low	141 Å²	141	169.8 Å²	169.8	87%	0.865	86%	0.864	S	S	*	*			trans	-112.6	117	-179.7	39.4	0	0	0	0	110.4
4	V	47.7	Very low	47	Very low	139 Å²	139	171.9 Å²	171.9	84%	0.842	86%	0.864	S	S	*	*			trans	-86.5	118.5	177.4	179.2	0	0	0	0	109.4
5	S	51.4	Low	46.4	Very low	99 Å²	99	171.7 Å²	171.7	69%	0.692	86%	0.859	S	S	*	*			trans	-88.2	129.8	175.4	-173.6	0	0	0	0	111.4
6	K	46.6	Very low	46.3	Very low	197 Å²	197	172.4 Å²	172.4	86%	0.857	86%	0.855	S	S	*	*			trans	-94.2	114	174.7	-70.6	-177.9	178.2	178.2	0	110.2	K8	K6-K8 PolarHBondContact O-N 3.07Å
7	H	48.8	Very low	46.8	Very low	185 Å²	185	169.7 Å²	169.7	86%	0.856	84%	0.844	S	S	*	*			trans	-72.3	116.5	174.2	-74.3	-47.2	0	0	0	112.3
8	K	47.3	Very low	47.6	Very low	198 Å²	198	165.4 Å²	165.4	86%	0.861	82%	0.819	S	S	*	*			trans	-85.4	120.1	170.1	-167.1	175.3	-176.2	179.7	0	109.3	K6 V10	K6-K8 PolarHBondContact O-N 3.07Å; K8-V10 PolarHBondContact O-N 3.17Å
9	K	46.6	Very low	48.6	Very low	212 Å²	212	160.8 Å²	160.8	92%	0.922	80%	0.798	S	S	*	*			trans	-77	103.2	-174.9	-146.6	173.5	-170.3	176.1	0	110.4
10	V	50.7	Low	50	Low	121 Å²	121	153.5 Å²	153.5	73%	0.733	76%	0.761	S	S	*	*			trans	-79.2	125.8	175.8	179.6	0	0	0	0	109.6	K8 I12	K8-V10 PolarHBondContact O-N 3.17Å; V10-I12 PolarHBondContact O-N 2.91Å
11	R	45.7	Very low	51.2	Low	244 Å²	244	153 Å²	153	92%	0.921	75%	0.75	S	S	*	*			trans	-80.3	114.2	169.7	-97.4	-174.5	169.7	-175.1	-2.4	109.2	M13	R11-M13 PolarHBondContact O-N 3.49Å
12	I	49.5	Very low	52.8	Low	157 Å²	157	142.5 Å²	142.5	81%	0.805	70%	0.702	S	S	*	*			trans	-77.6	113.4	172.2	-59.4	170.3	0	0	0	108.3	V10	V10-I12 PolarHBondContact O-N 2.91Å
13	M	42.1	Very low	54.7	Low	168 Å²	168	143 Å²	143	83%	0.828	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-76.9	126.8	166.8	-80.2	-176.4	159.9	0	0	109.6	R11 Q15	R11-M13 PolarHBondContact O-N 3.49Å; M13-Q15 PolarHBondContact O-N 3.18Å
14	K	41.9	Very low	56.5	Low	198 Å²	198	139.1 Å²	139.1	86%	0.861	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-75.3	121.5	171.5	-81.4	-175.2	174.3	-179.6	0	109.9	K16	K14-K16 PolarHBondContact O-N 3.24Å
15	Q	38.1	Very low	58.6	Low	169 Å²	169	135.3 Å²	135.3	79%	0.79	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-63.7	117	171.7	-172.1	172.7	2.1	0	0	110.1	M13 L17	M13-Q15 PolarHBondContact O-N 3.18Å; Q15-L17 HydrophobicContact CG-CD1 4.27Å; Q15-L17 PolarHBondContact O-N 2.86Å; Q15-L17 VanDerWaalsContact O-N 3.1Å
16	K	44.4	Very low	60.5	Low	184 Å²	184	131.9 Å²	131.9	80%	0.8	62%	0.615	S	S	*	*			trans	-76.8	89.6	173.9	-74.1	-174.9	176.6	-178.8	0	109.7	K14	K14-K16 PolarHBondContact O-N 3.24Å
17	L	54.4	Low	62.7	Low	126 Å²	126	122.8 Å²	122.8	66%	0.66	58%	0.575	S	S	*	*			trans	-70.8	138.5	164.9	-76.9	106.7	0	0	0	110.3	Q15 L19	Q15-L17 HydrophobicContact CG-CD1 4.27Å; Q15-L17 PolarHBondContact O-N 2.86Å; Q15-L17 VanDerWaalsContact O-N 3.1Å; L17-L19 PolarHBondContact O-N 2.85Å; L17-L19 VanDerWaalsContact O-N 3.15Å
18	K	62.7	Low	64.8	Low	92 Å²	92	114.1 Å²	114.1	40%	0.4	54%	0.536	S	S	.	.			trans	-61.3	113.9	171.2	-169.7	175.1	177	-170.9	0	107.7	F20 W102 T106	K18-F20 HydrophobicContact CB-CE1 4.2Å; K18-F20 HydrophobicContact CB-CZ 4.02Å; K18-F20 HydrophobicContact CD-CE1 3.6Å; K18-F20 HydrophobicContact CD-CZ 3.98Å; K18-F20 HydrophobicContact CG-CD1 4.4Å; K18-F20 HydrophobicContact CG-CE1 3.67Å; K18-F20 HydrophobicContact CG-CZ 4.01Å; K18-F20 PolarHBondContact O-N 3.01Å; K18-W102 HydrophobicContact CD-CH2 4.11Å; K18-W102 HydrophobicContact CD-CZ2 4.24Å; K18-T106 WeakPolarHBondContact CE-O 3.48Å; K18-T106 PolarHBondContact NZ-O 3.08Å; K18-T106 PolarHBondContact NZ-OG1 3.09Å
19	L	65.6	Low	67	Low	79 Å²	79	104.7 Å²	104.7	41%	0.414	50%	0.495	S	S	.	.			trans	-86.1	101.5	-176.3	-81.7	143.8	0	0	0	109.5	L17 R21 N72	L17-L19 PolarHBondContact O-N 2.85Å; L17-L19 VanDerWaalsContact O-N 3.15Å; L19-R21 PolarHBondContact O-N 3.49Å; L19-N72 HydrophobicContact CD2-CB 4Å
20	F	76.1	Confident	69.3	Low	13 Å²	13	94.6 Å²	94.6	6%	0.057	45%	0.451	C	S	.	.			trans	-73.1	91.6	175.8	-55.1	-59.3	0	0	0	110.3	K18 M31 W32 N35 T106	K18-F20 HydrophobicContact CB-CE1 4.2Å; K18-F20 HydrophobicContact CB-CZ 4.02Å; K18-F20 HydrophobicContact CD-CE1 3.6Å; K18-F20 HydrophobicContact CD-CZ 3.98Å; K18-F20 HydrophobicContact CG-CD1 4.4Å; K18-F20 HydrophobicContact CG-CE1 3.67Å; K18-F20 HydrophobicContact CG-CZ 4.01Å; K18-F20 PolarHBondContact O-N 3.01Å; F20-M31 HydrophobicContact CB-CB 3.89Å; F20-M31 HydrophobicContact CD1-CB 4.24Å; F20-M31 HydrophobicContact CD1-CE 4.42Å; F20-M31 HydrophobicContact CG-CB 4.14Å; F20-W32 HydrophobicContact CB-CB 4.5Å; F20-W32 HydrophobicContact CD2-CB 3.9Å; F20-W32 HydrophobicContact CD2-CG 4.35Å; F20-N35 HydrophobicContact CE1-CB 4.42Å; F20-N35 HydrophobicContact CE2-CB 3.6Å; F20-N35 HydrophobicContact CZ-CB 3.54Å; F20-T106 HydrophobicContact CE1-CG2 4.14Å
21	R	75.8	Confident	71.4	Confident	143 Å²	143	89 Å²	89	54%	0.54	42%	0.417	S	S	.	.			trans	-101.6	131.1	177.4	-68	175.6	171.1	119	-0.4	109.7	L19 N72	L19-R21 PolarHBondContact O-N 3.49Å; R21-N72 HydrophobicContact CG-CB 4.24Å; R21-N72 VanDerWaalsContact CZ-OD1 3.26Å; R21-N72 PolarHBondContact NE-OD1 3.39Å; R21-N72 PolarHBondContact NH2-OD1 2.66Å
22	A	80.1	Confident	73.7	Confident	24 Å²	24	80.1 Å²	80.1	20%	0.198	38%	0.383	C	S	.	.			trans	-138.3	162.7	167.7	0	0	0	0	0	109.6	E24 K27 S28 M31 Q109	A22-E24 PolarHBondContact O-N 3.09Å; A22-K27 HydrophobicContact CB-CB 3.42Å; A22-K27 VanDerWaalsContact CB-CB 3.42Å; A22-K27 HydrophobicContact CB-CD 4.28Å; A22-S28 PolarHBondContact N-OG 3.46Å; A22-S28 VanDerWaalsContact N-OG 3.15Å; A22-M31 HydrophobicContact CB-SD 4.17Å; A22-Q109 HydrophobicContact CB-CB 3.75Å
23	N	84.4	Confident	75.9	Confident	113 Å²	113	72.7 Å²	72.7	60%	0.604	35%	0.345	S	S	*	.	S	Bend	trans	-69.9	-12.5	178.7	71.4	-20.8	0	0	0	113.8	K27 Q109	N23-K27 PolarHBondContact OD1-NZ 3.1Å; N23-Q109 PolarHBondContact OD1-OE1 3.34Å
24	E	87.4	Confident	78.4	Confident	60 Å²	60	64.7 Å²	64.7	28%	0.28	31%	0.306	S	S	.	.	S	Bend	trans	-130.8	139.8	177.7	-73.4	168.1	-126.3	0	0	110.9	A22 L26 K27 S28 W112	A22-E24 PolarHBondContact O-N 3.09Å; E24-L26 VanDerWaalsContact C-N 3.26Å; E24-L26 PolarHBondContact O-N 3.11Å; E24-K27 HydrophobicContact CB-CD 4.15Å; E24-K27 HydrophobicContact CB-CG 4.27Å; E24-K27 PolarHBondContact O-N 3.42Å; E24-K27 VanDerWaalsContact O-N 3.11Å; E24-K27 WeakPolarHBondContact OE1-CE 3.36Å; E24-K27 IonicContact OE1-NZ 3.23Å; E24-K27 PolarHBondContact OE1-NZ 3.3Å; E24-S28 PolarHBondContact O-N 2.83Å; E24-W112 PolarHBondContact OE1-NE1 2.89Å; E24-W112 PolarHBondContact OE2-NE1 3.35Å
25	P	90.7	Very high	80.9	Confident	60 Å²	60	56.9 Å²	56.9	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-30.3	-175.2	27	-35.7	0	0	0	113	S28 V29 P74 V175	P25-S28 PolarHBondContact O-N 3.37Å; P25-V29 WeakPolarHBondContact O-CB 3.44Å; P25-V29 VanDerWaalsContact O-CG2 3.31Å; P25-V29 WeakPolarHBondContact O-CG2 3.26Å; P25-V29 PolarHBondContact O-N 2.94Å; P25-P74 HydrophobicContact CB-CG 3.57Å; P25-V175 HydrophobicContact CB-CG1 3.84Å; P25-V175 HydrophobicContact CG-CG1 4.07Å
26	L	91.8	Very high	83.5	Confident	27 Å²	27	52.8 Å²	52.8	14%	0.141	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-43	175.5	-171.5	72.3	0	0	0	111.6	E24 V29 L30 W112 L173 V175	E24-L26 VanDerWaalsContact C-N 3.26Å; E24-L26 PolarHBondContact O-N 3.11Å; L26-V29 PolarHBondContact O-N 3.15Å; L26-L30 PolarHBondContact O-N 2.99Å; L26-W112 HydrophobicContact CD2-CH2 4.22Å; L26-W112 HydrophobicContact CD2-CZ2 4.19Å; L26-L173 HydrophobicContact CD1-CB 3.91Å; L26-L173 HydrophobicContact CD1-CD1 3.63Å; L26-L173 HydrophobicContact CD1-CG 4.34Å; L26-L173 HydrophobicContact CG-CD1 4.05Å; L26-V175 HydrophobicContact CD1-CG2 4.33Å
27	K	93	Very high	85.9	Confident	5 Å²	5	44 Å²	44	2%	0.022	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-47.6	177.9	-64.7	173.4	-171.1	161.6	0	110.7	A22 N23 E24 V29 L30 M31 P110 W112 L124	A22-K27 HydrophobicContact CB-CB 3.42Å; A22-K27 VanDerWaalsContact CB-CB 3.42Å; A22-K27 HydrophobicContact CB-CD 4.28Å; N23-K27 PolarHBondContact OD1-NZ 3.1Å; E24-K27 HydrophobicContact CB-CD 4.15Å; E24-K27 HydrophobicContact CB-CG 4.27Å; E24-K27 PolarHBondContact O-N 3.42Å; E24-K27 VanDerWaalsContact O-N 3.11Å; E24-K27 WeakPolarHBondContact OE1-CE 3.36Å; E24-K27 IonicContact OE1-NZ 3.23Å; E24-K27 PolarHBondContact OE1-NZ 3.3Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.38Å; K27-L30 WeakPolarHBondContact O-CB 3.45Å; K27-L30 PolarHBondContact O-N 2.88Å; K27-L30 VanDerWaalsContact O-N 3.12Å; K27-M31 VanDerWaalsContact O-CG 3.23Å; K27-M31 WeakPolarHBondContact O-CG 3.38Å; K27-M31 PolarHBondContact O-N 3.06Å; K27-P110 WeakPolarHBondContact CD-O 3.39Å; K27-P110 HydrophobicContact CG-CG 4.37Å; K27-W112 VanDerWaalsContact CE-NE1 3.32Å; K27-L124 HydrophobicContact CD-CD2 4.39Å; K27-L124 HydrophobicContact CG-CD1 4.43Å; K27-L124 HydrophobicContact CG-CD2 4.25Å
28	S	92.1	Very high	87.6	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.028	18%	0.184	C	C	.	.	H	α-helix	trans	-57	-41.4	176.9	-53.8	0	0	0	0	112	A22 E24 P25 W32	A22-S28 PolarHBondContact N-OG 3.46Å; A22-S28 VanDerWaalsContact N-OG 3.15Å; E24-S28 PolarHBondContact O-N 2.83Å; P25-S28 PolarHBondContact O-N 3.37Å; S28-W32 VanDerWaalsContact O-CB 3.25Å; S28-W32 WeakPolarHBondContact O-CB 3.22Å; S28-W32 PolarHBondContact O-N 2.72Å
29	V	94	Very high	88.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.1	-35.7	177.4	172.8	0	0	0	0	112.5	P25 L26 K27 G33 M73 P74 F77 L173 V175	P25-V29 WeakPolarHBondContact O-CB 3.44Å; P25-V29 VanDerWaalsContact O-CG2 3.31Å; P25-V29 WeakPolarHBondContact O-CG2 3.26Å; P25-V29 PolarHBondContact O-N 2.94Å; L26-V29 PolarHBondContact O-N 3.15Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.38Å; V29-G33 PolarHBondContact O-N 2.81Å; V29-M73 HydrophobicContact CG2-CE 3.84Å; V29-P74 HydrophobicContact CG2-CG 3.84Å; V29-F77 HydrophobicContact CB-CD2 4.35Å; V29-F77 HydrophobicContact CG1-CB 4.31Å; V29-F77 HydrophobicContact CG1-CD2 3.62Å; V29-F77 HydrophobicContact CG1-CE2 4.23Å; V29-F77 HydrophobicContact CG1-CG 4.18Å; V29-F77 HydrophobicContact CG2-CB 3.88Å; V29-F77 HydrophobicContact CG2-CD1 4.04Å; V29-F77 HydrophobicContact CG2-CD2 3.78Å; V29-F77 HydrophobicContact CG2-CE2 4.29Å; V29-F77 HydrophobicContact CG2-CG 3.63Å; V29-L173 HydrophobicContact CG1-CB 4.43Å; V29-L173 HydrophobicContact CG1-CD2 4.3Å; V29-V175 HydrophobicContact CB-CG2 4.08Å; V29-V175 HydrophobicContact CG1-CG2 4.17Å; V29-V175 HydrophobicContact CG2-CG2 3.94Å
30	L	95.2	Very high	90.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-51.3	171.4	-177.6	59.7	0	0	0	111.5	L26 K27 W32 G33 I34 F105 L124 Y171 L173 I182	L26-L30 PolarHBondContact O-N 2.99Å; K27-L30 WeakPolarHBondContact O-CB 3.45Å; K27-L30 PolarHBondContact O-N 2.88Å; K27-L30 VanDerWaalsContact O-N 3.12Å; L30-W32 PolarHBondContact O-N 3.26Å; L30-G33 PolarHBondContact O-N 3.01Å; L30-I34 HydrophobicContact CD1-CD1 3.79Å; L30-I34 HydrophobicContact CD1-CG1 4.22Å; L30-I34 HydrophobicContact CG-CD1 4.03Å; L30-I34 WeakPolarHBondContact O-CG1 3.36Å; L30-I34 PolarHBondContact O-N 3.18Å; L30-F105 HydrophobicContact CD2-CD1 4.49Å; L30-F105 HydrophobicContact CD2-CE1 4.4Å; L30-L124 HydrophobicContact CD2-CD1 4.01Å; L30-Y171 HydrophobicContact CD1-CD2 4.25Å; L30-L173 HydrophobicContact CB-CD1 3.86Å; L30-L173 HydrophobicContact CD1-CD1 4.31Å; L30-I182 HydrophobicContact CD1-CD1 4.32Å; L30-I182 HydrophobicContact CD2-CD1 4.08Å
31	M	94.6	Very high	90.6	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.02	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-47.5	-179.9	-62.2	173.7	76.3	0	0	111.4	F20 A22 K27 N35 F105 Q109	F20-M31 HydrophobicContact CB-CB 3.89Å; F20-M31 HydrophobicContact CD1-CB 4.24Å; F20-M31 HydrophobicContact CD1-CE 4.42Å; F20-M31 HydrophobicContact CG-CB 4.14Å; A22-M31 HydrophobicContact CB-SD 4.17Å; K27-M31 VanDerWaalsContact O-CG 3.23Å; K27-M31 WeakPolarHBondContact O-CG 3.38Å; K27-M31 PolarHBondContact O-N 3.06Å; M31-N35 WeakPolarHBondContact O-CB 3.33Å; M31-N35 PolarHBondContact O-N 2.97Å; M31-N35 VanDerWaalsContact O-N 3.11Å; M31-F105 VanDerWaalsContact CG-O 3.31Å; M31-F105 WeakPolarHBondContact CG-O 3.31Å; M31-Q109 HydrophobicContact SD-CB 4.11Å
32	W	93.5	Very high	90.9	Very high	57 Å²	57	32.3 Å²	32.3	22%	0.216	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-41.7	176.3	178.8	95.3	0	0	0	112	F20 S28 L30 N35 Y36 V61 V63 M73 F77 F79	F20-W32 HydrophobicContact CB-CB 4.5Å; F20-W32 HydrophobicContact CD2-CB 3.9Å; F20-W32 HydrophobicContact CD2-CG 4.35Å; S28-W32 VanDerWaalsContact O-CB 3.25Å; S28-W32 WeakPolarHBondContact O-CB 3.22Å; S28-W32 PolarHBondContact O-N 2.72Å; L30-W32 PolarHBondContact O-N 3.26Å; W32-N35 WeakPolarHBondContact O-CB 3.27Å; W32-N35 PolarHBondContact O-N 3.39Å; W32-Y36 AromaticContact CH2-CD2 3.97Å; W32-Y36 HydrophobicContact CH2-CD2 3.97Å; W32-Y36 AromaticContact CH2-CG 3.92Å; W32-Y36 HydrophobicContact CH2-CG 3.92Å; W32-Y36 HydrophobicContact CZ2-CD2 4.24Å; W32-Y36 HydrophobicContact CZ2-CG 4.47Å; W32-Y36 HydrophobicContact CZ3-CG 4.19Å; W32-Y36 WeakPolarHBondContact O-CB 3.46Å; W32-Y36 PolarHBondContact O-N 3.18Å; W32-V61 HydrophobicContact CH2-CG1 3.79Å; W32-V61 HydrophobicContact CH2-CG2 4.13Å; W32-V61 HydrophobicContact CZ3-CG1 3.67Å; W32-V63 HydrophobicContact CH2-CG2 3.57Å; W32-V63 HydrophobicContact CZ2-CG2 3.88Å; W32-V63 HydrophobicContact CZ3-CG2 4.19Å; W32-M73 HydrophobicContact CB-CE 3.58Å; W32-M73 HydrophobicContact CB-SD 4.18Å; W32-M73 HydrophobicContact CD2-CE 4.26Å; W32-M73 HydrophobicContact CG-CE 3.67Å; W32-F77 AromaticContact CD2-CE2 3.99Å; W32-F77 HydrophobicContact CD2-CE2 3.99Å; W32-F77 AromaticContact CD2-CZ 3.98Å; W32-F77 HydrophobicContact CD2-CZ 3.98Å; W32-F77 AromaticContact CE3-CE2 3.51Å; W32-F77 HydrophobicContact CE3-CE2 3.51Å; W32-F77 AromaticContact CE3-CZ 3.99Å; W32-F77 HydrophobicContact CE3-CZ 3.99Å; W32-F77 HydrophobicContact CH2-CE2 4.23Å; W32-F77 HydrophobicContact CZ2-CZ 4.46Å; W32-F77 AromaticContact CZ3-CE2 3.66Å; W32-F77 HydrophobicContact CZ3-CE2 3.66Å; W32-F77 HydrophobicContact CZ3-CZ 4.28Å; W32-F79 HydrophobicContact CZ3-CB 4.39Å
33	G	95.2	Very high	91	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-43.6	-177.4	0	0	0	0	0	113.3	V29 L30 N35 Y36 S37 F79	V29-G33 PolarHBondContact O-N 2.81Å; L30-G33 PolarHBondContact O-N 3.01Å; G33-N35 VanDerWaalsContact C-N 3.32Å; G33-N35 PolarHBondContact O-N 3.06Å; G33-Y36 PolarHBondContact O-N 3.07Å; G33-S37 WeakPolarHBondContact O-CB 3.27Å; G33-S37 PolarHBondContact O-N 3.37Å; G33-F79 VanDerWaalsContact CA-CD2 3.48Å; G33-F79 VanDerWaalsContact CA-CE2 3.47Å; G33-F79 WeakPolarHBondContact O-CE1 3.31Å; G33-F79 WeakPolarHBondContact O-CZ 3.23Å
34	I	95.2	Very high	90.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-42.5	172.2	-69.6	172.5	0	0	0	110.1	L30 S37 F38 Y101 F105 Y171	L30-I34 HydrophobicContact CD1-CD1 3.79Å; L30-I34 HydrophobicContact CD1-CG1 4.22Å; L30-I34 HydrophobicContact CG-CD1 4.03Å; L30-I34 WeakPolarHBondContact O-CG1 3.36Å; L30-I34 PolarHBondContact O-N 3.18Å; I34-S37 PolarHBondContact O-N 3.23Å; I34-F38 HydrophobicContact CG2-CD2 4.12Å; I34-F38 HydrophobicContact CG2-CE2 4.15Å; I34-F38 VanDerWaalsContact O-CD2 3.23Å; I34-F38 WeakPolarHBondContact O-CD2 3.35Å; I34-F38 PolarHBondContact O-N 3.43Å; I34-Y101 HydrophobicContact CG2-CD1 4.47Å; I34-Y101 HydrophobicContact CG2-CE1 4.12Å; I34-F105 HydrophobicContact CD1-CB 3.85Å; I34-F105 HydrophobicContact CD1-CD1 3.61Å; I34-F105 HydrophobicContact CD1-CD2 3.94Å; I34-F105 HydrophobicContact CD1-CE1 4.15Å; I34-F105 HydrophobicContact CD1-CE2 4.45Å; I34-F105 HydrophobicContact CD1-CG 3.5Å; I34-F105 HydrophobicContact CG2-CB 4.27Å; I34-Y171 HydrophobicContact CD1-CE2 4.34Å; I34-Y171 HydrophobicContact CG1-CE1 4.46Å; I34-Y171 HydrophobicContact CG1-CE2 4.3Å
35	N	94.2	Very high	90.5	Very high	35 Å²	35	41.7 Å²	41.7	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-47.6	174.6	178.6	85.5	0	0	0	112.4	F20 M31 W32 G33 S37 F38 S39 W102 T106	F20-N35 HydrophobicContact CE1-CB 4.42Å; F20-N35 HydrophobicContact CE2-CB 3.6Å; F20-N35 HydrophobicContact CZ-CB 3.54Å; M31-N35 WeakPolarHBondContact O-CB 3.33Å; M31-N35 PolarHBondContact O-N 2.97Å; M31-N35 VanDerWaalsContact O-N 3.11Å; W32-N35 WeakPolarHBondContact O-CB 3.27Å; W32-N35 PolarHBondContact O-N 3.39Å; G33-N35 VanDerWaalsContact C-N 3.32Å; G33-N35 PolarHBondContact O-N 3.06Å; N35-S37 PolarHBondContact O-N 3.31Å; N35-F38 PolarHBondContact O-N 3.02Å; N35-S39 PolarHBondContact O-N 3.49Å; N35-S39 PolarHBondContact O-OG 2.82Å; N35-W102 WeakPolarHBondContact OD1-CZ2 3.21Å; N35-W102 PolarHBondContact OD1-NE1 2.83Å; N35-T106 HydrophobicContact CB-CG2 4.18Å
36	Y	93	Very high	89.7	Confident	82 Å²	82	44.3 Å²	44.3	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-59.3	-45.7	177.4	174.6	-94.4	0	0	0	111.8	W32 G33 F38 S39 A40 M59 V61	W32-Y36 AromaticContact CH2-CD2 3.97Å; W32-Y36 HydrophobicContact CH2-CD2 3.97Å; W32-Y36 AromaticContact CH2-CG 3.92Å; W32-Y36 HydrophobicContact CH2-CG 3.92Å; W32-Y36 HydrophobicContact CZ2-CD2 4.24Å; W32-Y36 HydrophobicContact CZ2-CG 4.47Å; W32-Y36 HydrophobicContact CZ3-CG 4.19Å; W32-Y36 WeakPolarHBondContact O-CB 3.46Å; W32-Y36 PolarHBondContact O-N 3.18Å; G33-Y36 PolarHBondContact O-N 3.07Å; Y36-F38 PolarHBondContact O-N 3.49Å; Y36-S39 WeakPolarHBondContact O-CB 3.25Å; Y36-S39 PolarHBondContact O-N 3Å; Y36-A40 PolarHBondContact O-N 3.08Å; Y36-M59 HydrophobicContact CE1-CG 4.43Å; Y36-M59 HydrophobicContact CE1-SD 4.17Å; Y36-V61 HydrophobicContact CD1-CG1 3.91Å; Y36-V61 HydrophobicContact CE1-CB 3.9Å; Y36-V61 HydrophobicContact CE1-CG1 3.79Å; Y36-V61 HydrophobicContact CE1-CG2 4.38Å; Y36-V61 HydrophobicContact CE2-CG2 4.48Å
37	S	94.1	Very high	89.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-55	-50.5	175	157.1	0	0	0	0	111.6	G33 I34 N35 S39 A40 L41 M59 E81	G33-S37 WeakPolarHBondContact O-CB 3.27Å; G33-S37 PolarHBondContact O-N 3.37Å; I34-S37 PolarHBondContact O-N 3.23Å; N35-S37 PolarHBondContact O-N 3.31Å; S37-S39 VanDerWaalsContact C-N 3.28Å; S37-S39 PolarHBondContact O-N 2.76Å; S37-A40 PolarHBondContact O-N 3.26Å; S37-L41 WeakPolarHBondContact O-CB 3.32Å; S37-L41 WeakPolarHBondContact O-CG 3.29Å; S37-L41 PolarHBondContact O-N 3.01Å; S37-M59 VanDerWaalsContact CA-CE 3.5Å; S37-E81 VanDerWaalsContact CB-OE2 3.24Å; S37-E81 WeakPolarHBondContact CB-OE2 3.28Å; S37-E81 PolarHBondContact OG-OE1 3.32Å; S37-E81 PolarHBondContact OG-OE2 2.88Å
38	F	91.8	Very high	88.6	Confident	11 Å²	11	53.1 Å²	53.1	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-67.2	-29.3	-178.9	-85.6	-120.9	0	0	0	112.5	I34 N35 Y36 N42 K98 Y101 W102	I34-F38 HydrophobicContact CG2-CD2 4.12Å; I34-F38 HydrophobicContact CG2-CE2 4.15Å; I34-F38 VanDerWaalsContact O-CD2 3.23Å; I34-F38 WeakPolarHBondContact O-CD2 3.35Å; I34-F38 PolarHBondContact O-N 3.43Å; N35-F38 PolarHBondContact O-N 3.02Å; Y36-F38 PolarHBondContact O-N 3.49Å; F38-N42 PolarHBondContact O-ND2 2.85Å; F38-N42 PolarHBondContact O-OD1 3.28Å; F38-K98 HydrophobicContact CD1-CD 4.46Å; F38-K98 HydrophobicContact CD1-CG 3.64Å; F38-K98 HydrophobicContact CE1-CB 4.36Å; F38-K98 HydrophobicContact CE1-CG 3.51Å; F38-K98 VanDerWaalsContact CE1-O 3.28Å; F38-K98 WeakPolarHBondContact CE1-O 3.46Å; F38-Y101 HydrophobicContact CE1-CD1 4.19Å; F38-Y101 AromaticContact CE2-CD1 3.77Å; F38-Y101 HydrophobicContact CE2-CD1 3.77Å; F38-Y101 AromaticContact CE2-CE1 3.89Å; F38-Y101 HydrophobicContact CE2-CE1 3.89Å; F38-Y101 AromaticContact CZ-CD1 3.32Å; F38-Y101 HydrophobicContact CZ-CD1 3.32Å; F38-Y101 AromaticContact CZ-CE1 3.89Å; F38-Y101 HydrophobicContact CZ-CE1 3.89Å; F38-Y101 HydrophobicContact CZ-CG 4.18Å; F38-W102 HydrophobicContact CD1-CB 3.85Å; F38-W102 HydrophobicContact CD1-CG 4.38Å; F38-W102 HydrophobicContact CE1-CB 4.07Å; F38-W102 HydrophobicContact CG-CB 4.47Å
39	S	89.7	Confident	88.4	Confident	55 Å²	55	59.6 Å²	59.6	39%	0.385	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-51.3	169.2	-63.1	0	0	0	0	111.4	N35 Y36 S37 L41 N42 H43	N35-S39 PolarHBondContact O-N 3.49Å; N35-S39 PolarHBondContact O-OG 2.82Å; Y36-S39 WeakPolarHBondContact O-CB 3.25Å; Y36-S39 PolarHBondContact O-N 3Å; S37-S39 VanDerWaalsContact C-N 3.28Å; S37-S39 PolarHBondContact O-N 2.76Å; S39-L41 PolarHBondContact O-N 3.2Å; S39-N42 PolarHBondContact O-N 3.06Å; S39-H43 PolarHBondContact O-CD2 2.91Å; S39-H43 VanDerWaalsContact O-CD2 3.22Å
40	A	89.6	Confident	88.3	Confident	28 Å²	28	61.4 Å²	61.4	23%	0.231	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-45.2	-178.7	0	0	0	0	0	112.7	Y36 S37 N42 H43 M59	Y36-A40 PolarHBondContact O-N 3.08Å; S37-A40 PolarHBondContact O-N 3.26Å; A40-N42 PolarHBondContact O-N 2.71Å; A40-H43 PolarHBondContact O-N 2.6Å; A40-H43 VanDerWaalsContact O-N 3.12Å; A40-M59 HydrophobicContact CB-SD 3.62Å
41	L	87	Confident	88.1	Confident	23 Å²	23	65.4 Å²	65.4	12%	0.12	34%	0.336	C	S	.	.	H	α-helix	trans	-66.3	-19.3	-178.4	-69	172.7	0	0	0	114	S37 S39 H43 V44 P84 M85	S37-L41 WeakPolarHBondContact O-CB 3.32Å; S37-L41 WeakPolarHBondContact O-CG 3.29Å; S37-L41 PolarHBondContact O-N 3.01Å; S39-L41 PolarHBondContact O-N 3.2Å; L41-H43 PolarHBondContact O-N 3.02Å; L41-V44 HydrophobicContact CD2-CG2 4.38Å; L41-V44 PolarHBondContact O-N 3.4Å; L41-P84 HydrophobicContact CD1-CB 4.26Å; L41-P84 HydrophobicContact CD2-CB 4.06Å; L41-M85 HydrophobicContact CD2-SD 4.03Å
42	N	82.7	Confident	88.1	Confident	90 Å²	90	71.9 Å²	71.9	48%	0.481	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.7	174.8	-64.7	-31.1	0	0	0	113.5	F38 S39 A40 K98	F38-N42 PolarHBondContact O-ND2 2.85Å; F38-N42 PolarHBondContact O-OD1 3.28Å; S39-N42 PolarHBondContact O-N 3.06Å; A40-N42 PolarHBondContact O-N 2.71Å; N42-K98 VanDerWaalsContact CG-NZ 3.28Å; N42-K98 PolarHBondContact ND2-NZ 2.93Å; N42-K98 VanDerWaalsContact OD1-CE 3.28Å; N42-K98 WeakPolarHBondContact OD1-CE 3.38Å; N42-K98 PolarHBondContact OD1-NZ 3.13Å
43	H	81.8	Confident	88.1	Confident	154 Å²	154	74.7 Å²	74.7	71%	0.713	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.1	177.4	-57.9	-67.4	0	0	0	112.4	S39 A40 L41	S39-H43 PolarHBondContact O-CD2 2.91Å; S39-H43 VanDerWaalsContact O-CD2 3.22Å; A40-H43 PolarHBondContact O-N 2.6Å; A40-H43 VanDerWaalsContact O-N 3.12Å; L41-H43 PolarHBondContact O-N 3.02Å
44	V	82.6	Confident	88.1	Confident	50 Å²	50	75.3 Å²	75.3	30%	0.303	39%	0.387	S	S	.	.	S	Bend	trans	-83.7	125.8	177.2	-177.2	0	0	0	0	109.6	L41 Q46 M85 I383	L41-V44 HydrophobicContact CD2-CG2 4.38Å; L41-V44 PolarHBondContact O-N 3.4Å; V44-Q46 PolarHBondContact O-N 3Å; V44-M85 HydrophobicContact CG1-CE 4.24Å; V44-M85 HydrophobicContact CG1-SD 3.97Å; V44-I383 HydrophobicContact CG2-CD1 4Å
45	K	78.6	Confident	88.2	Confident	190 Å²	190	76.4 Å²	76.4	83%	0.826	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-63.5	121.4	174.4	-69.4	-177.3	179.2	179.1	0	109.8	R47	K45-R47 PolarHBondContact O-N 3.18Å
46	Q	73.8	Confident	88.2	Confident	116 Å²	116	82.8 Å²	82.8	54%	0.542	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-60.6	121.4	175.2	-175	68.5	31.2	0	0	109.9	V44	V44-Q46 PolarHBondContact O-N 3Å
47	R	82.1	Confident	88.4	Confident	111 Å²	111	80.7 Å²	80.7	42%	0.419	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-93.9	151.7	171.2	-62	-172.6	-60.3	-142.7	-6	109.9	K45 D54	K45-R47 PolarHBondContact O-N 3.18Å; R47-D54 IonicContact CZ-OD1 3.48Å; R47-D54 IonicContact CZ-OD2 3.64Å; R47-D54 IonicContact NH2-OD1 3.05Å; R47-D54 PolarHBondContact NH2-OD1 3.18Å; R47-D54 IonicContact NH2-OD2 3.23Å; R47-D54 PolarHBondContact NH2-OD2 3.25Å
48	A	79.8	Confident	88.5	Confident	106 Å²	106	83.4 Å²	83.4	88%	0.876	43%	0.428	S	S	*	.	S	Bend	trans	-75	-27	179.9	0	0	0	0	0	113.5
49	L	87.2	Confident	88.7	Confident	140 Å²	140	84.4 Å²	84.4	73%	0.733	43%	0.433	S	S	*	.	S	Bend	trans	-128.9	149	178.9	-62.4	175	0	0	0	109.8
50	L	91.7	Very high	89	Confident	38 Å²	38	87.5 Å²	87.5	20%	0.199	44%	0.44	C	S	.	.			trans	-79.5	144.5	167.7	-62.5	177.7	0	0	0	109.6	D54 F55 M85 V86 Y152	L50-D54 WeakPolarHBondContact CA-OD2 3.42Å; L50-D54 HydrophobicContact CD2-CB 4.39Å; L50-F55 HydrophobicContact CB-CE2 4.14Å; L50-F55 HydrophobicContact CD1-CE2 4.31Å; L50-F55 HydrophobicContact CD1-CZ 4.05Å; L50-M85 HydrophobicContact CD2-CB 4.02Å; L50-V86 HydrophobicContact CD1-CB 4.31Å; L50-V86 HydrophobicContact CD1-CG1 4.2Å; L50-V86 HydrophobicContact CD1-CG2 4.17Å; L50-Y152 HydrophobicContact CD1-CD1 4.28Å; L50-Y152 HydrophobicContact CD1-CD2 4.04Å; L50-Y152 HydrophobicContact CD1-CE1 3.79Å; L50-Y152 HydrophobicContact CD1-CE2 3.54Å; L50-Y152 HydrophobicContact CD1-CG 4.39Å
51	L	92.7	Very high	89.2	Confident	84 Å²	84	87.4 Å²	87.4	44%	0.44	44%	0.436	S	S	.	.			trans	-97	160	171.7	-57.9	-179	0	0	0	109.8	D53 D54 F55	L51-D53 PolarHBondContact O-N 2.98Å; L51-D54 PolarHBondContact N-OD2 3.17Å; L51-D54 VanDerWaalsContact O-CB 3.31Å; L51-D54 WeakPolarHBondContact O-CB 3.44Å; L51-D54 PolarHBondContact O-N 3.33Å; L51-F55 WeakPolarHBondContact O-CD2 3.22Å
52	K	92.9	Very high	89.5	Confident	139 Å²	139	92.3 Å²	92.3	60%	0.604	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-57.7	-32.1	175.8	-70.4	-164.2	170.3	-106.3	0	112.7	D54 F55 E149	K52-D54 PolarHBondContact O-N 3.08Å; K52-F55 PolarHBondContact O-N 3Å; K52-E149 IonicContact NZ-OE1 3.57Å; K52-E149 PolarHBondContact NZ-OE1 2.83Å; K52-E149 IonicContact NZ-OE2 2.72Å
53	D	94.3	Very high	89.8	Confident	116 Å²	116	89 Å²	89	62%	0.62	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-66.2	-24.7	177	-54.3	-35.1	0	0	0	112.6	L51 F55 K56 A57	L51-D53 PolarHBondContact O-N 2.98Å; D53-F55 PolarHBondContact O-N 3.04Å; D53-K56 CarbonylContact O-C 3.5Å; D53-K56 PolarHBondContact O-N 2.95Å; D53-A57 WeakPolarHBondContact O-CB 3.04Å; D53-A57 PolarHBondContact O-N 3.39Å
54	D	95.6	Very high	90	Very high	13 Å²	13	85.8 Å²	85.8	7%	0.07	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-65.6	-26	177.5	-64.6	-31.2	0	0	0	112.2	R47 L50 L51 K52 K56 C83 M85 V86	R47-D54 IonicContact CZ-OD1 3.48Å; R47-D54 IonicContact CZ-OD2 3.64Å; R47-D54 IonicContact NH2-OD1 3.05Å; R47-D54 PolarHBondContact NH2-OD1 3.18Å; R47-D54 IonicContact NH2-OD2 3.23Å; R47-D54 PolarHBondContact NH2-OD2 3.25Å; L50-D54 WeakPolarHBondContact CA-OD2 3.42Å; L50-D54 HydrophobicContact CD2-CB 4.39Å; L51-D54 PolarHBondContact N-OD2 3.17Å; L51-D54 VanDerWaalsContact O-CB 3.31Å; L51-D54 WeakPolarHBondContact O-CB 3.44Å; L51-D54 PolarHBondContact O-N 3.33Å; K52-D54 PolarHBondContact O-N 3.08Å; D54-K56 VanDerWaalsContact C-N 3.28Å; D54-C83 WeakPolarHBondContact O-CA 3.38Å; D54-M85 HydrophobicContact CB-CB 4.37Å; D54-V86 HydrophobicContact CB-CG2 4.03Å; D54-V86 WeakPolarHBondContact O-CG2 3.3Å
55	F	96.7	Very high	89.8	Confident	24 Å²	24	84.9 Å²	84.9	11%	0.105	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-78.9	-9.5	175.4	-65.1	-92.3	0	0	0	113.3	L50 L51 K52 D53 C83 V86 L148 E149 Y152	L50-F55 HydrophobicContact CB-CE2 4.14Å; L50-F55 HydrophobicContact CD1-CE2 4.31Å; L50-F55 HydrophobicContact CD1-CZ 4.05Å; L51-F55 WeakPolarHBondContact O-CD2 3.22Å; K52-F55 PolarHBondContact O-N 3Å; D53-F55 PolarHBondContact O-N 3.04Å; F55-C83 VanDerWaalsContact C-SG 3.59Å; F55-C83 PolarHBondContact O-SG 3.02Å; F55-V86 HydrophobicContact CD1-CG1 4.12Å; F55-V86 HydrophobicContact CD1-CG2 3.91Å; F55-V86 HydrophobicContact CD2-CG2 4.28Å; F55-V86 HydrophobicContact CE1-CB 4.47Å; F55-V86 HydrophobicContact CE1-CG1 3.61Å; F55-V86 HydrophobicContact CE1-CG2 3.97Å; F55-V86 HydrophobicContact CE2-CG2 4.35Å; F55-V86 HydrophobicContact CG-CG2 4.06Å; F55-V86 HydrophobicContact CZ-CG1 4.13Å; F55-V86 HydrophobicContact CZ-CG2 4.2Å; F55-L148 HydrophobicContact CD1-CB 4.28Å; F55-L148 HydrophobicContact CD1-CD2 4Å; F55-L148 HydrophobicContact CD1-CG 3.79Å; F55-L148 HydrophobicContact CE1-CG 4.13Å; F55-E149 HydrophobicContact CD1-CB 4.09Å; F55-E149 HydrophobicContact CE1-CB 4.22Å; F55-E149 HydrophobicContact CE1-CG 4.48Å; F55-E149 HydrophobicContact CG-CB 4.5Å; F55-E149 HydrophobicContact CZ-CG 4.49Å; F55-Y152 HydrophobicContact CE1-CG 4.2Å; F55-Y152 AromaticContact CZ-CD1 3.92Å; F55-Y152 HydrophobicContact CZ-CD1 3.92Å; F55-Y152 AromaticContact CZ-CG 3.99Å; F55-Y152 HydrophobicContact CZ-CG 3.99Å
56	K	95.5	Very high	89.2	Confident	168 Å²	168	83.6 Å²	83.6	73%	0.73	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-22.3	173.7	-61	-177.6	-178.9	-179.5	0	112.8	D53 D54	D53-K56 CarbonylContact O-C 3.5Å; D53-K56 PolarHBondContact O-N 2.95Å; D54-K56 VanDerWaalsContact C-N 3.28Å
57	A	95.9	Very high	88.5	Confident	38 Å²	38	84.6 Å²	84.6	31%	0.314	42%	0.422	S	S	.	.			trans	-57.6	148.9	-179	0	0	0	0	0	112.6	D53 C83	D53-A57 WeakPolarHBondContact O-CB 3.04Å; D53-A57 PolarHBondContact O-N 3.39Å; A57-C83 WeakPolarHBondContact O-CA 3.49Å; A57-C83 PolarHBondContact O-N 3.14Å
58	Y	96.3	Very high	87.4	Confident	57 Å²	57	86.2 Å²	86.2	22%	0.224	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.2	172.8	61.6	-102.8	0	0	0	110.9	K60 K80 E81 E378	Y58-K60 HydrophobicContact CD2-CB 4.08Å; Y58-K60 HydrophobicContact CE2-CB 4.19Å; Y58-K80 VanDerWaalsContact CD1-NZ 3.32Å; Y58-K80 HydrophobicContact CD2-CD 4.31Å; Y58-K80 HydrophobicContact CD2-CG 4.47Å; Y58-K80 HydrophobicContact CG-CD 4.34Å; Y58-E81 CarbonylContact C-O 3.59Å; Y58-E81 VanDerWaalsContact CA-O 3.28Å; Y58-E81 WeakPolarHBondContact CA-O 3.39Å; Y58-E81 WeakPolarHBondContact CB-O 3.44Å; Y58-E378 WeakPolarHBondContact CE1-OE2 3.28Å; Y58-E378 WeakPolarHBondContact OH-CB 3.4Å
59	M	95.8	Very high	86.6	Confident	32 Å²	32	83.5 Å²	83.5	16%	0.158	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.3	171.4	171.5	172.2	51.5	0	0	108.2	Y36 S37 A40 K80 E81	Y36-M59 HydrophobicContact CE1-CG 4.43Å; Y36-M59 HydrophobicContact CE1-SD 4.17Å; S37-M59 VanDerWaalsContact CA-CE 3.5Å; A40-M59 HydrophobicContact CB-SD 3.62Å; M59-K80 CarbonylContact O-C 3.49Å; M59-K80 WeakPolarHBondContact O-CA 3.25Å; M59-E81 HydrophobicContact CE-CB 4.23Å; M59-E81 WeakPolarHBondContact CE-OE2 3.26Å; M59-E81 PolarHBondContact N-O 3.33Å; M59-E81 PolarHBondContact O-N 2.78Å
60	K	95.9	Very high	85.5	Confident	121 Å²	121	82.4 Å²	82.4	53%	0.526	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.8	-174.5	-179.2	-175	177	-172.2	0	110.1	Y58 F79 K80	Y58-K60 HydrophobicContact CD2-CB 4.08Å; Y58-K60 HydrophobicContact CE2-CB 4.19Å; K60-F79 CarbonylContact C-O 3.58Å; K60-F79 WeakPolarHBondContact CA-O 3.24Å; K60-K80 HydrophobicContact CB-CB 4.37Å; K60-K80 HydrophobicContact CB-CG 4.34Å; K60-K80 HydrophobicContact CG-CB 4.41Å
61	V	94.3	Very high	84.2	Confident	25 Å²	25	89.2 Å²	89.2	15%	0.152	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.2	174.8	62.2	0	0	0	0	110.4	W32 Y36 V63 K78 F79	W32-V61 HydrophobicContact CH2-CG1 3.79Å; W32-V61 HydrophobicContact CH2-CG2 4.13Å; W32-V61 HydrophobicContact CZ3-CG1 3.67Å; Y36-V61 HydrophobicContact CD1-CG1 3.91Å; Y36-V61 HydrophobicContact CE1-CB 3.9Å; Y36-V61 HydrophobicContact CE1-CG1 3.79Å; Y36-V61 HydrophobicContact CE1-CG2 4.38Å; Y36-V61 HydrophobicContact CE2-CG2 4.48Å; V61-V63 HydrophobicContact CG2-CG2 4.23Å; V61-K78 CarbonylContact O-C 3.55Å; V61-K78 WeakPolarHBondContact O-CA 3.49Å; V61-F79 HydrophobicContact CG1-CB 3.88Å; V61-F79 HydrophobicContact CG1-CD1 4.23Å; V61-F79 PolarHBondContact N-O 2.94Å; V61-F79 PolarHBondContact O-N 2.73Å
62	K	93.8	Very high	83	Confident	126 Å²	126	86.4 Å²	86.4	55%	0.548	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.2	178.5	178.3	178.3	-177.5	-179.1	0	108	K78	K62-K78 HydrophobicContact CB-CG 4.48Å; K62-K78 HydrophobicContact CG-CG 4.28Å
63	V	89.4	Confident	82.5	Confident	22 Å²	22	80.2 Å²	80.2	13%	0.133	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.1	-177.3	-179.8	0	0	0	0	109.3	W32 V61 N65 R76 F77	W32-V63 HydrophobicContact CH2-CG2 3.57Å; W32-V63 HydrophobicContact CZ2-CG2 3.88Å; W32-V63 HydrophobicContact CZ3-CG2 4.19Å; V61-V63 HydrophobicContact CG2-CG2 4.23Å; V63-N65 WeakPolarHBondContact CG1-OD1 3.36Å; V63-R76 WeakPolarHBondContact O-CA 3.46Å; V63-F77 HydrophobicContact CB-CD1 4.09Å; V63-F77 HydrophobicContact CB-CD2 4.23Å; V63-F77 HydrophobicContact CB-CE1 3.63Å; V63-F77 HydrophobicContact CB-CE2 3.79Å; V63-F77 HydrophobicContact CB-CG 4.37Å; V63-F77 HydrophobicContact CB-CZ 3.47Å; V63-F77 VanDerWaalsContact CB-CZ 3.47Å; V63-F77 HydrophobicContact CG1-CD1 4.35Å; V63-F77 HydrophobicContact CG1-CE1 3.59Å; V63-F77 HydrophobicContact CG1-CE2 4.48Å; V63-F77 HydrophobicContact CG1-CZ 3.67Å; V63-F77 HydrophobicContact CG2-CD2 4.36Å; V63-F77 HydrophobicContact CG2-CE1 4.23Å; V63-F77 HydrophobicContact CG2-CE2 3.61Å; V63-F77 HydrophobicContact CG2-CZ 3.53Å; V63-F77 PolarHBondContact N-O 3.2Å; V63-F77 PolarHBondContact O-N 2.62Å; V63-F77 VanDerWaalsContact O-N 3.11Å
64	N	85.8	Confident	82	Confident	85 Å²	85	75.4 Å²	75.4	46%	0.455	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	83.2	-179.7	-55.2	-47.5	0	0	0	109.1	H66 S75 R76	N64-H66 PolarHBondContact O-N 3Å; N64-H66 VanDerWaalsContact O-N 3.12Å; N64-S75 CarbonylContact C-O 3.57Å; N64-R76 PolarHBondContact OD1-NH1 3.27Å
65	N	77.5	Confident	81.5	Confident	32 Å²	32	77.4 Å²	77.4	17%	0.171	37%	0.372	C	S	.	.			trans	-80.4	88.4	-177.9	-69.6	-33.7	0	0	0	111.2	V63 H67 F68 S75	V63-N65 WeakPolarHBondContact CG1-OD1 3.36Å; N65-H67 PolarHBondContact O-N 3.34Å; N65-F68 WeakPolarHBondContact CB-O 3.45Å; N65-S75 PolarHBondContact N-O 3.3Å
66	H	66	Low	81.1	Confident	163 Å²	163	82.3 Å²	82.3	76%	0.755	39%	0.39	S	S	*	.	S	Bend	trans	-76.2	108.3	172.4	-164	-109.8	0	0	0	110.4	N64 F68	N64-H66 PolarHBondContact O-N 3Å; N64-H66 VanDerWaalsContact O-N 3.12Å; H66-F68 PolarHBondContact O-N 3.12Å
67	H	60.2	Low	81	Confident	136 Å²	136	74.4 Å²	74.4	63%	0.63	36%	0.356	S	S	*	.	S	Bend	trans	60.6	10.4	178	-66.9	82.8	0	0	0	116.9	N65 K70	N65-H67 PolarHBondContact O-N 3.34Å; H67-K70 PolarHBondContact NE2-NZ 2.9Å
68	F	58.3	Low	81	Confident	145 Å²	145	75.5 Å²	75.5	64%	0.636	35%	0.353	S	S	*	.	S	Bend	trans	-109.1	141.5	175.6	-172.2	-110.3	0	0	0	111	N65 H66 K70	N65-F68 WeakPolarHBondContact CB-O 3.45Å; H66-F68 PolarHBondContact O-N 3.12Å; F68-K70 PolarHBondContact O-N 2.88Å
69	N	62.1	Low	81.1	Confident	49 Å²	49	72.9 Å²	72.9	26%	0.262	34%	0.343	S	S	.	.	S	Bend	trans	55.1	19.8	169.4	-154.2	32.9	0	0	0	117.8	E71 N72 M73	N69-E71 PolarHBondContact O-N 3.19Å; N69-E71 VanDerWaalsContact O-N 3.1Å; N69-N72 PolarHBondContact O-N 3.37Å; N69-N72 WeakPolarHBondContact OD1-CB 3.47Å; N69-N72 PolarHBondContact OD1-ND2 3.26Å; N69-M73 WeakPolarHBondContact ND2-CG 3.18Å; N69-M73 PolarHBondContact O-N 2.77Å; N69-M73 VanDerWaalsContact O-N 3.13Å
70	K	64.1	Low	81.2	Confident	117 Å²	117	72.1 Å²	72.1	51%	0.509	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.6	-174.5	-73.5	-170.6	172.8	176	0	115	H67 F68 N72	H67-K70 PolarHBondContact NE2-NZ 2.9Å; F68-K70 PolarHBondContact O-N 2.88Å; K70-N72 VanDerWaalsContact C-N 3.32Å
71	E	64.4	Low	81.3	Confident	182 Å²	182	66.4 Å²	66.4	85%	0.85	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.5	-180	-64.9	172.1	175.3	0	0	113.5	N69	N69-E71 PolarHBondContact O-N 3.19Å; N69-E71 VanDerWaalsContact O-N 3.1Å
72	N	69.2	Low	81.5	Confident	24 Å²	24	66.3 Å²	66.3	13%	0.128	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-26.8	-167.3	-46.6	-68.4	0	0	0	112.9	L19 R21 N69 K70	L19-N72 HydrophobicContact CD2-CB 4Å; R21-N72 HydrophobicContact CG-CB 4.24Å; R21-N72 VanDerWaalsContact CZ-OD1 3.26Å; R21-N72 PolarHBondContact NE-OD1 3.39Å; R21-N72 PolarHBondContact NH2-OD1 2.66Å; N69-N72 PolarHBondContact O-N 3.37Å; N69-N72 WeakPolarHBondContact OD1-CB 3.47Å; N69-N72 PolarHBondContact OD1-ND2 3.26Å; K70-N72 VanDerWaalsContact C-N 3.32Å
73	M	82.3	Confident	81.7	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.049	29%	0.285	C	S	.	.	S	Bend	trans	-137.4	149.5	-179.8	-70.6	-66.1	-68.7	0	0	110.7	V29 W32 N69 F77	V29-M73 HydrophobicContact CG2-CE 3.84Å; W32-M73 HydrophobicContact CB-CE 3.58Å; W32-M73 HydrophobicContact CB-SD 4.18Å; W32-M73 HydrophobicContact CD2-CE 4.26Å; W32-M73 HydrophobicContact CG-CE 3.67Å; N69-M73 WeakPolarHBondContact ND2-CG 3.18Å; N69-M73 PolarHBondContact O-N 2.77Å; N69-M73 VanDerWaalsContact O-N 3.13Å; M73-F77 HydrophobicContact CB-CE1 4.34Å; M73-F77 HydrophobicContact CE-CD1 4.25Å; M73-F77 HydrophobicContact CE-CE1 3.47Å; M73-F77 VanDerWaalsContact CE-CE1 3.47Å; M73-F77 HydrophobicContact CE-CE2 3.96Å; M73-F77 HydrophobicContact CE-CZ 3.29Å
74	P	82.8	Confident	82	Confident	15 Å²	15	59.8 Å²	59.8	10%	0.097	28%	0.282	C	S	.	.			trans	-54.2	146.2	171.5	-26	36.5	0	0	0	112.1	P25 V29 R76 F77 V175	P25-P74 HydrophobicContact CB-CG 3.57Å; V29-P74 HydrophobicContact CG2-CG 3.84Å; P74-R76 VanDerWaalsContact C-N 3.26Å; P74-R76 PolarHBondContact O-N 3.37Å; P74-F77 HydrophobicContact CB-CB 4.42Å; P74-F77 HydrophobicContact CB-CD1 4.13Å; P74-F77 HydrophobicContact CG-CD1 4.5Å; P74-F77 WeakPolarHBondContact O-CD1 3.46Å; P74-V175 HydrophobicContact CB-CG1 4.46Å; P74-V175 HydrophobicContact CG-CG1 4.02Å
75	S	84.2	Confident	82.4	Confident	55 Å²	55	56.9 Å²	56.9	39%	0.385	27%	0.266	S	S	.	.	S	Bend	trans	-66.9	-29.5	178.1	-64.6	0	0	0	0	112.3	N64 N65	N64-S75 CarbonylContact C-O 3.57Å; N65-S75 PolarHBondContact N-O 3.3Å
76	R	89.7	Confident	83.3	Confident	126 Å²	126	55.3 Å²	55.3	48%	0.475	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129	172.9	-170.4	-174.6	-58.7	-86.5	17.4	109.4	V63 N64 P74	V63-R76 WeakPolarHBondContact O-CA 3.46Å; N64-R76 PolarHBondContact OD1-NH1 3.27Å; P74-R76 VanDerWaalsContact C-N 3.26Å; P74-R76 PolarHBondContact O-N 3.37Å
77	F	93.7	Very high	84.8	Confident	3 Å²	3	47.6 Å²	47.6	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	161.7	170	63.2	-89.5	0	0	0	111.5	V29 W32 V63 M73 P74 T174 V175	V29-F77 HydrophobicContact CB-CD2 4.35Å; V29-F77 HydrophobicContact CG1-CB 4.31Å; V29-F77 HydrophobicContact CG1-CD2 3.62Å; V29-F77 HydrophobicContact CG1-CE2 4.23Å; V29-F77 HydrophobicContact CG1-CG 4.18Å; V29-F77 HydrophobicContact CG2-CB 3.88Å; V29-F77 HydrophobicContact CG2-CD1 4.04Å; V29-F77 HydrophobicContact CG2-CD2 3.78Å; V29-F77 HydrophobicContact CG2-CE2 4.29Å; V29-F77 HydrophobicContact CG2-CG 3.63Å; W32-F77 AromaticContact CD2-CE2 3.99Å; W32-F77 HydrophobicContact CD2-CE2 3.99Å; W32-F77 AromaticContact CD2-CZ 3.98Å; W32-F77 HydrophobicContact CD2-CZ 3.98Å; W32-F77 AromaticContact CE3-CE2 3.51Å; W32-F77 HydrophobicContact CE3-CE2 3.51Å; W32-F77 AromaticContact CE3-CZ 3.99Å; W32-F77 HydrophobicContact CE3-CZ 3.99Å; W32-F77 HydrophobicContact CH2-CE2 4.23Å; W32-F77 HydrophobicContact CZ2-CZ 4.46Å; W32-F77 AromaticContact CZ3-CE2 3.66Å; W32-F77 HydrophobicContact CZ3-CE2 3.66Å; W32-F77 HydrophobicContact CZ3-CZ 4.28Å; V63-F77 HydrophobicContact CB-CD1 4.09Å; V63-F77 HydrophobicContact CB-CD2 4.23Å; V63-F77 HydrophobicContact CB-CE1 3.63Å; V63-F77 HydrophobicContact CB-CE2 3.79Å; V63-F77 HydrophobicContact CB-CG 4.37Å; V63-F77 HydrophobicContact CB-CZ 3.47Å; V63-F77 VanDerWaalsContact CB-CZ 3.47Å; V63-F77 HydrophobicContact CG1-CD1 4.35Å; V63-F77 HydrophobicContact CG1-CE1 3.59Å; V63-F77 HydrophobicContact CG1-CE2 4.48Å; V63-F77 HydrophobicContact CG1-CZ 3.67Å; V63-F77 HydrophobicContact CG2-CD2 4.36Å; V63-F77 HydrophobicContact CG2-CE1 4.23Å; V63-F77 HydrophobicContact CG2-CE2 3.61Å; V63-F77 HydrophobicContact CG2-CZ 3.53Å; V63-F77 PolarHBondContact N-O 3.2Å; V63-F77 PolarHBondContact O-N 2.62Å; V63-F77 VanDerWaalsContact O-N 3.11Å; M73-F77 HydrophobicContact CB-CE1 4.34Å; M73-F77 HydrophobicContact CE-CD1 4.25Å; M73-F77 HydrophobicContact CE-CE1 3.47Å; M73-F77 VanDerWaalsContact CE-CE1 3.47Å; M73-F77 HydrophobicContact CE-CE2 3.96Å; M73-F77 HydrophobicContact CE-CZ 3.29Å; P74-F77 HydrophobicContact CB-CB 4.42Å; P74-F77 HydrophobicContact CB-CD1 4.13Å; P74-F77 HydrophobicContact CG-CD1 4.5Å; P74-F77 WeakPolarHBondContact O-CD1 3.46Å; F77-T174 CarbonylContact C-O 3.53Å; F77-T174 WeakPolarHBondContact CA-O 3.47Å; F77-T174 VanDerWaalsContact CB-O 3.29Å; F77-T174 WeakPolarHBondContact CB-O 3.48Å; F77-V175 HydrophobicContact CB-CG2 4.42Å
78	K	95.7	Very high	86.5	Confident	61 Å²	61	43.5 Å²	43.5	27%	0.265	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.6	171.5	-43.8	172.6	-164.5	163.3	0	109.1	V61 K62 T174	V61-K78 CarbonylContact O-C 3.55Å; V61-K78 WeakPolarHBondContact O-CA 3.49Å; K62-K78 HydrophobicContact CB-CG 4.48Å; K62-K78 HydrophobicContact CG-CG 4.28Å; K78-T174 HydrophobicContact CD-CG2 4.15Å; K78-T174 HydrophobicContact CG-CG2 4.37Å; K78-T174 PolarHBondContact N-O 3.47Å; K78-T174 PolarHBondContact O-N 2.91Å
79	F	97.5	Very high	88.2	Confident	1 Å²	1	37.3 Å²	37.3	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.7	170	174.2	-92.4	0	0	0	108.4	W32 G33 K60 V61 E81 Y171 L173	W32-F79 HydrophobicContact CZ3-CB 4.39Å; G33-F79 VanDerWaalsContact CA-CD2 3.48Å; G33-F79 VanDerWaalsContact CA-CE2 3.47Å; G33-F79 WeakPolarHBondContact O-CE1 3.31Å; G33-F79 WeakPolarHBondContact O-CZ 3.23Å; K60-F79 CarbonylContact C-O 3.58Å; K60-F79 WeakPolarHBondContact CA-O 3.24Å; V61-F79 HydrophobicContact CG1-CB 3.88Å; V61-F79 HydrophobicContact CG1-CD1 4.23Å; V61-F79 PolarHBondContact N-O 2.94Å; V61-F79 PolarHBondContact O-N 2.73Å; F79-E81 HydrophobicContact CE1-CB 3.96Å; F79-E81 HydrophobicContact CZ-CB 4.21Å; F79-Y171 HydrophobicContact CE1-CD1 4.36Å; F79-Y171 AromaticContact CE2-CD1 3.58Å; F79-Y171 HydrophobicContact CE2-CD1 3.58Å; F79-Y171 HydrophobicContact CE2-CE1 4.24Å; F79-Y171 HydrophobicContact CE2-CG 4.14Å; F79-Y171 AromaticContact CZ-CD1 3.33Å; F79-Y171 HydrophobicContact CZ-CD1 3.33Å; F79-Y171 AromaticContact CZ-CE1 3.65Å; F79-Y171 HydrophobicContact CZ-CE1 3.65Å; F79-Y171 HydrophobicContact CZ-CG 4.31Å; F79-L173 HydrophobicContact CD2-CD2 3.42Å; F79-L173 VanDerWaalsContact CD2-CD2 3.42Å; F79-L173 HydrophobicContact CE2-CD2 3.9Å
80	K	98.1	Very high	89.9	Confident	17 Å²	17	35 Å²	35	7%	0.074	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.6	171.2	179.5	172.1	177.5	164.9	0	108.5	Y58 M59 K60 Y82 Y171 R172 E378	Y58-K80 VanDerWaalsContact CD1-NZ 3.32Å; Y58-K80 HydrophobicContact CD2-CD 4.31Å; Y58-K80 HydrophobicContact CD2-CG 4.47Å; Y58-K80 HydrophobicContact CG-CD 4.34Å; M59-K80 CarbonylContact O-C 3.49Å; M59-K80 WeakPolarHBondContact O-CA 3.25Å; K60-K80 HydrophobicContact CB-CB 4.37Å; K60-K80 HydrophobicContact CB-CG 4.34Å; K60-K80 HydrophobicContact CG-CB 4.41Å; K80-Y82 HydrophobicContact CD-CE1 4.05Å; K80-Y82 HydrophobicContact CD-CE2 4.32Å; K80-Y82 VanDerWaalsContact CE-CE1 3.48Å; K80-Y82 HydrophobicContact CG-CD2 4.45Å; K80-Y82 HydrophobicContact CG-CE2 4.15Å; K80-Y171 CarbonylContact O-C 3.55Å; K80-Y171 WeakPolarHBondContact O-CA 3.43Å; K80-R172 HydrophobicContact CB-CB 4.3Å; K80-R172 PolarHBondContact N-O 3.23Å; K80-R172 PolarHBondContact O-N 3.24Å; K80-E378 IonicContact NZ-OE2 2.77Å
81	E	98.2	Very high	91.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.8	165.2	-179	171.3	-138.7	0	0	108.5	S37 Y58 M59 F79 P84 Y171	S37-E81 VanDerWaalsContact CB-OE2 3.24Å; S37-E81 WeakPolarHBondContact CB-OE2 3.28Å; S37-E81 PolarHBondContact OG-OE1 3.32Å; S37-E81 PolarHBondContact OG-OE2 2.88Å; Y58-E81 CarbonylContact C-O 3.59Å; Y58-E81 VanDerWaalsContact CA-O 3.28Å; Y58-E81 WeakPolarHBondContact CA-O 3.39Å; Y58-E81 WeakPolarHBondContact CB-O 3.44Å; M59-E81 HydrophobicContact CE-CB 4.23Å; M59-E81 WeakPolarHBondContact CE-OE2 3.26Å; M59-E81 PolarHBondContact N-O 3.33Å; M59-E81 PolarHBondContact O-N 2.78Å; F79-E81 HydrophobicContact CE1-CB 3.96Å; F79-E81 HydrophobicContact CZ-CB 4.21Å; E81-P84 HydrophobicContact CG-CB 4.04Å; E81-Y171 HydrophobicContact CB-CD1 3.9Å; E81-Y171 HydrophobicContact CB-CE1 3.87Å; E81-Y171 HydrophobicContact CG-CD1 3.96Å; E81-Y171 HydrophobicContact CG-CE1 3.53Å; E81-Y171 VanDerWaalsContact OE1-CE1 3.24Å; E81-Y171 WeakPolarHBondContact OE1-CE1 3.34Å; E81-Y171 PolarHBondContact OE1-OH 3.43Å
82	Y	98.3	Very high	92.8	Very high	23 Å²	23	25.1 Å²	25.1	9%	0.09	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	143.4	177.4	-64.2	-97.1	0	0	0	109.8	K80 F87 H145 L170 R172	K80-Y82 HydrophobicContact CD-CE1 4.05Å; K80-Y82 HydrophobicContact CD-CE2 4.32Å; K80-Y82 VanDerWaalsContact CE-CE1 3.48Å; K80-Y82 HydrophobicContact CG-CD2 4.45Å; K80-Y82 HydrophobicContact CG-CE2 4.15Å; Y82-F87 WeakPolarHBondContact O-CD2 3.34Å; Y82-F87 WeakPolarHBondContact O-CE2 3.39Å; Y82-H145 AromaticContact CD1-CE1 3.71Å; Y82-H145 AromaticContact CD1-NE2 3.13Å; Y82-H145 WeakPolarHBondContact CD1-NE2 3.48Å; Y82-H145 AromaticContact CE1-NE2 3.76Å; Y82-H145 AromaticContact CG-NE2 3.73Å; Y82-L170 HydrophobicContact CD2-CD2 4.3Å; Y82-L170 HydrophobicContact CD2-CG 3.92Å; Y82-L170 HydrophobicContact CG-CD2 4.22Å; Y82-L170 HydrophobicContact CG-CG 4.27Å; Y82-L170 PolarHBondContact N-O 3.3Å; Y82-R172 HydrophobicContact CE2-CB 3.72Å
83	C	97.3	Very high	94	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	46.4	48	174.1	-48.1	0	0	0	0	114.6	D54 F55 A57 M85 V86 F87 H145 L148	D54-C83 WeakPolarHBondContact O-CA 3.38Å; F55-C83 VanDerWaalsContact C-SG 3.59Å; F55-C83 PolarHBondContact O-SG 3.02Å; A57-C83 WeakPolarHBondContact O-CA 3.49Å; A57-C83 PolarHBondContact O-N 3.14Å; C83-M85 VanDerWaalsContact C-N 3.28Å; C83-M85 PolarHBondContact O-N 2.93Å; C83-M85 VanDerWaalsContact O-N 3.16Å; C83-V86 HydrophobicContact CB-CB 3.94Å; C83-V86 HydrophobicContact CB-CG2 3.83Å; C83-V86 WeakPolarHBondContact O-CA 3.24Å; C83-V86 WeakPolarHBondContact O-CB 3.41Å; C83-V86 PolarHBondContact O-N 3.47Å; C83-F87 HydrophobicContact CB-CD2 4.08Å; C83-F87 HydrophobicContact CB-CE2 4.03Å; C83-F87 WeakPolarHBondContact O-CD2 3.41Å; C83-F87 PolarHBondContact O-N 3.27Å; C83-H145 PolarHBondContact SG-CE1 2.87Å; C83-L148 HydrophobicContact CB-CD2 3.68Å; C83-L148 WeakPolarHBondContact SG-CD2 3.49Å
84	P	96.5	Very high	94.6	Very high	12 Å²	12	29 Å²	29	8%	0.078	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-32.9	-164.9	25	-35.9	0	0	0	113.6	L41 E81 K88	L41-P84 HydrophobicContact CD1-CB 4.26Å; L41-P84 HydrophobicContact CD2-CB 4.06Å; E81-P84 HydrophobicContact CG-CB 4.04Å; P84-K88 VanDerWaalsContact O-CB 3.3Å; P84-K88 WeakPolarHBondContact O-CB 3.2Å; P84-K88 PolarHBondContact O-N 3.14Å
85	M	94.9	Very high	95.1	Very high	23 Å²	23	30.4 Å²	30.4	11%	0.113	15%	0.153	C	C	.	.	H	α-helix	trans	-71.3	-34	174.8	-63.8	-54.7	-65.5	0	0	112.7	L41 V44 L50 D54 C83 S89	L41-M85 HydrophobicContact CD2-SD 4.03Å; V44-M85 HydrophobicContact CG1-CE 4.24Å; V44-M85 HydrophobicContact CG1-SD 3.97Å; L50-M85 HydrophobicContact CD2-CB 4.02Å; D54-M85 HydrophobicContact CB-CB 4.37Å; C83-M85 VanDerWaalsContact C-N 3.28Å; C83-M85 PolarHBondContact O-N 2.93Å; C83-M85 VanDerWaalsContact O-N 3.16Å; M85-S89 PolarHBondContact O-N 3.29Å
86	V	96.8	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.3	-50.9	175.8	-171.1	0	0	0	0	109.8	L50 D54 F55 C83 K88 S89 L90 L148 Y152	L50-V86 HydrophobicContact CD1-CB 4.31Å; L50-V86 HydrophobicContact CD1-CG1 4.2Å; L50-V86 HydrophobicContact CD1-CG2 4.17Å; D54-V86 HydrophobicContact CB-CG2 4.03Å; D54-V86 WeakPolarHBondContact O-CG2 3.3Å; F55-V86 HydrophobicContact CD1-CG1 4.12Å; F55-V86 HydrophobicContact CD1-CG2 3.91Å; F55-V86 HydrophobicContact CD2-CG2 4.28Å; F55-V86 HydrophobicContact CE1-CB 4.47Å; F55-V86 HydrophobicContact CE1-CG1 3.61Å; F55-V86 HydrophobicContact CE1-CG2 3.97Å; F55-V86 HydrophobicContact CE2-CG2 4.35Å; F55-V86 HydrophobicContact CG-CG2 4.06Å; F55-V86 HydrophobicContact CZ-CG1 4.13Å; F55-V86 HydrophobicContact CZ-CG2 4.2Å; C83-V86 HydrophobicContact CB-CB 3.94Å; C83-V86 HydrophobicContact CB-CG2 3.83Å; C83-V86 WeakPolarHBondContact O-CA 3.24Å; C83-V86 WeakPolarHBondContact O-CB 3.41Å; C83-V86 PolarHBondContact O-N 3.47Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 2.89Å; V86-S89 CarbonylContact O-C 3.48Å; V86-S89 PolarHBondContact O-N 3.07Å; V86-S89 VanDerWaalsContact O-N 3.09Å; V86-L90 HydrophobicContact CG1-CD1 4.31Å; V86-L90 WeakPolarHBondContact O-CG 3.46Å; V86-L90 PolarHBondContact O-N 3.46Å; V86-L148 HydrophobicContact CB-CD2 4.43Å; V86-L148 HydrophobicContact CG1-CD1 4.07Å; V86-L148 HydrophobicContact CG1-CD2 4.13Å; V86-L148 HydrophobicContact CG1-CG 4.08Å; V86-Y152 HydrophobicContact CG1-CD2 4.02Å; V86-Y152 HydrophobicContact CG1-CG 4.43Å
87	F	97.2	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-32.1	177.7	-72.5	-70.7	0	0	0	113.2	Y82 C83 L90 R91 M144 L148 F167 L170	Y82-F87 WeakPolarHBondContact O-CD2 3.34Å; Y82-F87 WeakPolarHBondContact O-CE2 3.39Å; C83-F87 HydrophobicContact CB-CD2 4.08Å; C83-F87 HydrophobicContact CB-CE2 4.03Å; C83-F87 WeakPolarHBondContact O-CD2 3.41Å; C83-F87 PolarHBondContact O-N 3.27Å; F87-L90 HydrophobicContact CD1-CD1 3.9Å; F87-L90 HydrophobicContact CE1-CD1 4.18Å; F87-L90 PolarHBondContact O-N 2.64Å; F87-R91 WeakPolarHBondContact O-CG 3.29Å; F87-R91 PolarHBondContact O-N 2.75Å; F87-M144 HydrophobicContact CZ-CE 4.35Å; F87-L148 HydrophobicContact CZ-CD1 4.25Å; F87-F167 HydrophobicContact CE1-CB 3.95Å; F87-L170 HydrophobicContact CD2-CB 4.47Å; F87-L170 HydrophobicContact CE2-CB 3.57Å; F87-L170 HydrophobicContact CZ-CB 3.62Å
88	K	95	Very high	95.7	Very high	50 Å²	50	32.7 Å²	32.7	22%	0.217	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-51.9	166.7	-173.3	-169.2	176.2	-67.9	0	110.6	P84 V86 L90 R91 D92	P84-K88 VanDerWaalsContact O-CB 3.3Å; P84-K88 WeakPolarHBondContact O-CB 3.2Å; P84-K88 PolarHBondContact O-N 3.14Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 2.89Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 3.01Å; K88-R91 PolarHBondContact O-N 3.28Å; K88-D92 IonicContact NZ-OD1 2.83Å; K88-D92 IonicContact NZ-OD2 2.81Å; K88-D92 PolarHBondContact NZ-OD2 3.38Å; K88-D92 PolarHBondContact O-N 3.01Å
89	S	94.8	Very high	95.6	Very high	16 Å²	16	35 Å²	35	11%	0.112	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-29.3	-179.8	-173.7	0	0	0	0	113.3	M85 V86 R93 Y152	M85-S89 PolarHBondContact O-N 3.29Å; V86-S89 CarbonylContact O-C 3.48Å; V86-S89 PolarHBondContact O-N 3.07Å; V86-S89 VanDerWaalsContact O-N 3.09Å; S89-R93 WeakPolarHBondContact O-CB 3.28Å; S89-R93 VanDerWaalsContact O-CG 3.25Å; S89-R93 WeakPolarHBondContact O-CG 3.2Å; S89-R93 PolarHBondContact O-N 2.87Å; S89-Y152 PolarHBondContact OG-OH 2.88Å; S89-Y152 VanDerWaalsContact OG-OH 3.06Å
90	L	96.9	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-46.6	172.1	-74.1	169.6	0	0	0	111.1	V86 F87 K88 D92 R93 F94 L148 Y151 Y152 I155	V86-L90 HydrophobicContact CG1-CD1 4.31Å; V86-L90 WeakPolarHBondContact O-CG 3.46Å; V86-L90 PolarHBondContact O-N 3.46Å; F87-L90 HydrophobicContact CD1-CD1 3.9Å; F87-L90 HydrophobicContact CE1-CD1 4.18Å; F87-L90 PolarHBondContact O-N 2.64Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 3.01Å; L90-D92 VanDerWaalsContact C-N 3.32Å; L90-D92 PolarHBondContact O-N 3.1Å; L90-R93 PolarHBondContact O-N 3.39Å; L90-F94 HydrophobicContact CB-CD2 4.22Å; L90-F94 HydrophobicContact CB-CE2 3.97Å; L90-F94 HydrophobicContact CD2-CE2 4.05Å; L90-F94 HydrophobicContact CD2-CZ 4.32Å; L90-F94 WeakPolarHBondContact O-CD2 3.31Å; L90-F94 WeakPolarHBondContact O-CG 3.5Å; L90-F94 PolarHBondContact O-N 3.36Å; L90-L148 HydrophobicContact CD1-CD1 4.32Å; L90-Y151 HydrophobicContact CD1-CD1 4.31Å; L90-Y151 HydrophobicContact CD1-CE1 3.96Å; L90-Y151 HydrophobicContact CD2-CD1 4.31Å; L90-Y151 HydrophobicContact CD2-CE1 3.88Å; L90-Y152 HydrophobicContact CD2-CD2 3.82Å; L90-Y152 HydrophobicContact CD2-CE2 4.47Å; L90-Y152 HydrophobicContact CG-CD2 4.05Å; L90-I155 HydrophobicContact CD2-CB 4.2Å; L90-I155 HydrophobicContact CD2-CG1 4.24Å; L90-I155 HydrophobicContact CD2-CG2 4.01Å
91	R	96.1	Very high	95.2	Very high	9 Å²	9	37.9 Å²	37.9	3%	0.034	19%	0.191	C	C	.	.	H	α-helix	trans	-55.2	-47.3	172.8	-73.9	-177	-66.7	-127.8	4.4	111.7	F87 K88 R93 F94 G95 V96 L168	F87-R91 WeakPolarHBondContact O-CG 3.29Å; F87-R91 PolarHBondContact O-N 2.75Å; K88-R91 PolarHBondContact O-N 3.28Å; R91-R93 VanDerWaalsContact C-N 3.28Å; R91-R93 PolarHBondContact O-N 2.89Å; R91-F94 PolarHBondContact O-N 3.24Å; R91-G95 PolarHBondContact O-N 2.78Å; R91-V96 HydrophobicContact CB-CB 4.07Å; R91-V96 HydrophobicContact CB-CG1 4.32Å; R91-V96 HydrophobicContact CG-CB 4.31Å; R91-V96 HydrophobicContact CG-CG1 4.17Å; R91-V96 PolarHBondContact O-N 3.04Å; R91-L168 HydrophobicContact CG-CB 4Å; R91-L168 HydrophobicContact CG-CD2 4.04Å; R91-L168 PolarHBondContact NH1-O 3.17Å
92	D	93.7	Very high	95.1	Very high	83 Å²	83	40.4 Å²	40.4	44%	0.444	20%	0.201	S	C	.	.	H	α-helix	trans	-58.9	-37.7	176.7	-60.8	-27.4	0	0	0	111.5	K88 L90	K88-D92 IonicContact NZ-OD1 2.83Å; K88-D92 IonicContact NZ-OD2 2.81Å; K88-D92 PolarHBondContact NZ-OD2 3.38Å; K88-D92 PolarHBondContact O-N 3.01Å; L90-D92 VanDerWaalsContact C-N 3.32Å; L90-D92 PolarHBondContact O-N 3.1Å
93	R	93.9	Very high	94.8	Very high	102 Å²	102	40.9 Å²	40.9	39%	0.385	21%	0.205	S	C	.	.	H	α-helix	trans	-75.8	-30.1	177.7	-75	174.8	-171.3	-67.3	-7.7	114.6	S89 L90 R91 G95 Y152 I155 V156	S89-R93 WeakPolarHBondContact O-CB 3.28Å; S89-R93 VanDerWaalsContact O-CG 3.25Å; S89-R93 WeakPolarHBondContact O-CG 3.2Å; S89-R93 PolarHBondContact O-N 2.87Å; L90-R93 PolarHBondContact O-N 3.39Å; R91-R93 VanDerWaalsContact C-N 3.28Å; R91-R93 PolarHBondContact O-N 2.89Å; R93-G95 VanDerWaalsContact C-N 3.28Å; R93-Y152 PolarHBondContact NE-OH 3.13Å; R93-Y152 PolarHBondContact NH2-OH 2.88Å; R93-I155 HydrophobicContact CB-CG2 4.31Å; R93-V156 VanDerWaalsContact CZ-CG2 3.45Å
94	F	95.5	Very high	94.7	Very high	13 Å²	13	41 Å²	41	6%	0.057	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	7	178.6	-65.8	-49.5	0	0	0	113.7	L90 R91 V96 Y151 I155 Q166 L168 R186	L90-F94 HydrophobicContact CB-CD2 4.22Å; L90-F94 HydrophobicContact CB-CE2 3.97Å; L90-F94 HydrophobicContact CD2-CE2 4.05Å; L90-F94 HydrophobicContact CD2-CZ 4.32Å; L90-F94 WeakPolarHBondContact O-CD2 3.31Å; L90-F94 WeakPolarHBondContact O-CG 3.5Å; L90-F94 PolarHBondContact O-N 3.36Å; R91-F94 PolarHBondContact O-N 3.24Å; F94-V96 HydrophobicContact CB-CG2 4.13Å; F94-V96 PolarHBondContact O-N 3.28Å; F94-Y151 HydrophobicContact CZ-CE1 4.5Å; F94-Y151 WeakPolarHBondContact CZ-OH 3.3Å; F94-I155 HydrophobicContact CD1-CG2 4.4Å; F94-I155 HydrophobicContact CE1-CD1 3.82Å; F94-I155 HydrophobicContact CE1-CG1 4.19Å; F94-I155 HydrophobicContact CE1-CG2 3.62Å; F94-I155 HydrophobicContact CZ-CB 4.42Å; F94-I155 HydrophobicContact CZ-CD1 3.74Å; F94-I155 HydrophobicContact CZ-CG1 3.79Å; F94-I155 HydrophobicContact CZ-CG2 3.71Å; F94-Q166 HydrophobicContact CD1-CB 4.09Å; F94-Q166 HydrophobicContact CD1-CG 3.65Å; F94-Q166 HydrophobicContact CD2-CB 3.91Å; F94-Q166 HydrophobicContact CD2-CG 4.39Å; F94-Q166 HydrophobicContact CE1-CB 4Å; F94-Q166 HydrophobicContact CE1-CG 3.52Å; F94-Q166 HydrophobicContact CE2-CB 3.79Å; F94-Q166 HydrophobicContact CE2-CG 4.27Å; F94-Q166 HydrophobicContact CG-CB 4.06Å; F94-Q166 HydrophobicContact CG-CG 4.1Å; F94-Q166 HydrophobicContact CZ-CB 3.84Å; F94-Q166 HydrophobicContact CZ-CG 3.84Å; F94-L168 HydrophobicContact CB-CD2 4.46Å; F94-L168 HydrophobicContact CD2-CD2 3.64Å; F94-L168 HydrophobicContact CE2-CD2 4.36Å; F94-L168 HydrophobicContact CG-CD2 4.46Å; F94-R186 PolarHBondContact O-NH2 3.4Å
95	G	94.4	Very high	94.5	Very high	45 Å²	45	40.4 Å²	40.4	46%	0.464	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	32.5	-175.8	0	0	0	0	0	112.7	R91 R93	R91-G95 PolarHBondContact O-N 2.78Å; R93-G95 VanDerWaalsContact C-N 3.28Å
96	V	94.6	Very high	94.3	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.055	20%	0.197	C	C	.	.			trans	-94.5	103.9	175.5	174.9	0	0	0	0	108.4	R91 F94 Y101 F131 L168	R91-V96 HydrophobicContact CB-CB 4.07Å; R91-V96 HydrophobicContact CB-CG1 4.32Å; R91-V96 HydrophobicContact CG-CB 4.31Å; R91-V96 HydrophobicContact CG-CG1 4.17Å; R91-V96 PolarHBondContact O-N 3.04Å; F94-V96 HydrophobicContact CB-CG2 4.13Å; F94-V96 PolarHBondContact O-N 3.28Å; V96-Y101 HydrophobicContact CG1-CD2 3.95Å; V96-Y101 HydrophobicContact CG1-CG 4.33Å; V96-F131 HydrophobicContact CG1-CE1 4.09Å; V96-F131 HydrophobicContact CG1-CZ 3.82Å; V96-F131 HydrophobicContact CG2-CE1 4.19Å; V96-L168 HydrophobicContact CG2-CD1 4.18Å; V96-L168 HydrophobicContact CG2-CD2 3.97Å
97	E	92.5	Very high	94	Very high	130 Å²	130	46.2 Å²	46.2	61%	0.607	22%	0.223	S	C	*	.			trans	-64	142.4	177.9	-68	-155.2	-170.4	0	0	112.1	M99 D100 Y101	E97-M99 VanDerWaalsContact C-N 3.29Å; E97-M99 PolarHBondContact O-N 2.93Å; E97-D100 HydrophobicContact CB-CB 4.25Å; E97-D100 PolarHBondContact O-N 3.27Å; E97-Y101 PolarHBondContact O-N 3.39Å
98	K	92.4	Very high	93.6	Very high	93 Å²	93	51.1 Å²	51.1	40%	0.404	25%	0.245	S	C	.	.	H	α-helix	trans	-55.4	-44.9	179	179.2	-162.5	157	-167.5	0	111.6	F38 N42 W102	F38-K98 HydrophobicContact CD1-CD 4.46Å; F38-K98 HydrophobicContact CD1-CG 3.64Å; F38-K98 HydrophobicContact CE1-CB 4.36Å; F38-K98 HydrophobicContact CE1-CG 3.51Å; F38-K98 VanDerWaalsContact CE1-O 3.28Å; F38-K98 WeakPolarHBondContact CE1-O 3.46Å; N42-K98 VanDerWaalsContact CG-NZ 3.28Å; N42-K98 PolarHBondContact ND2-NZ 2.93Å; N42-K98 VanDerWaalsContact OD1-CE 3.28Å; N42-K98 WeakPolarHBondContact OD1-CE 3.38Å; N42-K98 PolarHBondContact OD1-NZ 3.13Å; K98-W102 WeakPolarHBondContact O-CB 3.47Å; K98-W102 PolarHBondContact O-N 3.18Å; K98-W102 VanDerWaalsContact O-N 3.12Å
99	M	93.3	Very high	93.5	Very high	108 Å²	108	51.5 Å²	51.5	53%	0.532	25%	0.248	S	C	.	.	H	α-helix	trans	-71.6	-41.8	-175.9	-64.3	-56.8	-67.4	0	0	111.1	E97 W102 D103	E97-M99 VanDerWaalsContact C-N 3.29Å; E97-M99 PolarHBondContact O-N 2.93Å; M99-W102 PolarHBondContact O-N 2.87Å; M99-D103 VanDerWaalsContact O-CB 3.29Å; M99-D103 WeakPolarHBondContact O-CB 3.24Å; M99-D103 PolarHBondContact O-N 3.36Å
100	D	92.8	Very high	93.3	Very high	80 Å²	80	50.8 Å²	50.8	43%	0.428	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-46.2	177.3	-67.5	-8.1	0	0	0	112.1	E97 D103 S104	E97-D100 HydrophobicContact CB-CB 4.25Å; E97-D100 PolarHBondContact O-N 3.27Å; D100-D103 PolarHBondContact O-N 2.86Å; D100-S104 VanDerWaalsContact O-CB 3.26Å; D100-S104 WeakPolarHBondContact O-CB 3.5Å; D100-S104 PolarHBondContact O-N 3.31Å; D100-S104 PolarHBondContact O-OG 3.5Å
101	Y	95.4	Very high	93.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-47.1	175.9	-173.4	-87.4	0	0	0	111.7	I34 F38 V96 E97 D103 F105 F131 L168 Y171 V184	I34-Y101 HydrophobicContact CG2-CD1 4.47Å; I34-Y101 HydrophobicContact CG2-CE1 4.12Å; F38-Y101 HydrophobicContact CE1-CD1 4.19Å; F38-Y101 AromaticContact CE2-CD1 3.77Å; F38-Y101 HydrophobicContact CE2-CD1 3.77Å; F38-Y101 AromaticContact CE2-CE1 3.89Å; F38-Y101 HydrophobicContact CE2-CE1 3.89Å; F38-Y101 AromaticContact CZ-CD1 3.32Å; F38-Y101 HydrophobicContact CZ-CD1 3.32Å; F38-Y101 AromaticContact CZ-CE1 3.89Å; F38-Y101 HydrophobicContact CZ-CE1 3.89Å; F38-Y101 HydrophobicContact CZ-CG 4.18Å; V96-Y101 HydrophobicContact CG1-CD2 3.95Å; V96-Y101 HydrophobicContact CG1-CG 4.33Å; E97-Y101 PolarHBondContact O-N 3.39Å; Y101-D103 PolarHBondContact O-N 3.45Å; Y101-F105 HydrophobicContact CD1-CD2 4.29Å; Y101-F105 HydrophobicContact CD2-CE2 4.31Å; Y101-F105 HydrophobicContact CE1-CD2 4.04Å; Y101-F105 HydrophobicContact CE1-CE2 4.2Å; Y101-F105 HydrophobicContact CE2-CD2 4.35Å; Y101-F105 AromaticContact CE2-CE2 3.8Å; Y101-F105 HydrophobicContact CE2-CE2 3.8Å; Y101-F105 AromaticContact CZ-CE2 3.76Å; Y101-F105 WeakPolarHBondContact O-CD2 3.37Å; Y101-F105 PolarHBondContact O-N 3.38Å; Y101-F131 HydrophobicContact CD2-CD1 4.47Å; Y101-F131 HydrophobicContact CD2-CD2 4.24Å; Y101-F131 HydrophobicContact CD2-CE1 4.28Å; Y101-F131 HydrophobicContact CD2-CE2 4.03Å; Y101-F131 HydrophobicContact CD2-CG 4.47Å; Y101-F131 HydrophobicContact CD2-CZ 4.05Å; Y101-L168 HydrophobicContact CD2-CB 4.42Å; Y101-L168 HydrophobicContact CD2-CD1 4.27Å; Y101-L168 HydrophobicContact CE2-CB 3.66Å; Y101-L168 HydrophobicContact CE2-CD1 4.04Å; Y101-Y171 PolarHBondContact OH-OH 2.84Å; Y101-V184 HydrophobicContact CE2-CG1 3.83Å; Y101-V184 WeakPolarHBondContact OH-CG1 3.36Å
102	W	94.4	Very high	92.6	Very high	53 Å²	53	58.1 Å²	58.1	20%	0.201	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-41.2	178.3	176.5	89.4	0	0	0	112.1	K18 N35 F38 K98 M99 T106	K18-W102 HydrophobicContact CD-CH2 4.11Å; K18-W102 HydrophobicContact CD-CZ2 4.24Å; N35-W102 WeakPolarHBondContact OD1-CZ2 3.21Å; N35-W102 PolarHBondContact OD1-NE1 2.83Å; F38-W102 HydrophobicContact CD1-CB 3.85Å; F38-W102 HydrophobicContact CD1-CG 4.38Å; F38-W102 HydrophobicContact CE1-CB 4.07Å; F38-W102 HydrophobicContact CG-CB 4.47Å; K98-W102 WeakPolarHBondContact O-CB 3.47Å; K98-W102 PolarHBondContact O-N 3.18Å; K98-W102 VanDerWaalsContact O-N 3.12Å; M99-W102 PolarHBondContact O-N 2.87Å; W102-T106 HydrophobicContact CD2-CG2 4.41Å; W102-T106 HydrophobicContact CG-CG2 4.37Å; W102-T106 VanDerWaalsContact O-CB 3.23Å; W102-T106 WeakPolarHBondContact O-CB 3.39Å; W102-T106 WeakPolarHBondContact O-CG2 3.3Å; W102-T106 PolarHBondContact O-N 3.49Å; W102-T106 PolarHBondContact O-OG1 3.34Å
103	D	93.8	Very high	92	Very high	33 Å²	33	57.3 Å²	57.3	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-68.8	-44.5	-178.9	-161.7	55.7	0	0	0	111.1	M99 D100 Y101 F105 T106 R107 Y127	M99-D103 VanDerWaalsContact O-CB 3.29Å; M99-D103 WeakPolarHBondContact O-CB 3.24Å; M99-D103 PolarHBondContact O-N 3.36Å; D100-D103 PolarHBondContact O-N 2.86Å; Y101-D103 PolarHBondContact O-N 3.45Å; D103-F105 PolarHBondContact O-N 2.94Å; D103-F105 VanDerWaalsContact O-N 3.14Å; D103-T106 PolarHBondContact O-N 2.85Å; D103-R107 WeakPolarHBondContact O-CB 3.46Å; D103-R107 PolarHBondContact O-N 3.12Å; D103-R107 IonicContact OD1-CZ 3.17Å; D103-R107 IonicContact OD1-NE 2.74Å; D103-R107 PolarHBondContact OD1-NE 3.29Å; D103-R107 IonicContact OD1-NH2 2.76Å; D103-R107 PolarHBondContact OD1-NH2 2.91Å; D103-R107 IonicContact OD2-CZ 3.23Å; D103-R107 IonicContact OD2-NE 3.62Å; D103-R107 PolarHBondContact OD2-NE 3.49Å; D103-R107 IonicContact OD2-NH2 2.7Å; D103-R107 PolarHBondContact OD2-NH2 2.94Å; D103-Y127 WeakPolarHBondContact O-CE1 3.46Å; D103-Y127 PolarHBondContact OD2-OH 2.93Å
104	S	93.6	Very high	90.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-52.4	-36.2	177.2	-60.4	0	0	0	0	113.7	D100 T126 Y127 N128 F131	D100-S104 VanDerWaalsContact O-CB 3.26Å; D100-S104 WeakPolarHBondContact O-CB 3.5Å; D100-S104 PolarHBondContact O-N 3.31Å; D100-S104 PolarHBondContact O-OG 3.5Å; S104-T126 WeakPolarHBondContact O-CB 3.44Å; S104-T126 WeakPolarHBondContact O-CG2 2.97Å; S104-Y127 VanDerWaalsContact O-CD1 3.31Å; S104-Y127 WeakPolarHBondContact O-CD1 3.5Å; S104-Y127 WeakPolarHBondContact O-CE1 3.43Å; S104-N128 PolarHBondContact OG-ND2 2.88Å; S104-F131 WeakPolarHBondContact OG-CE2 3.3Å
105	F	92.9	Very high	88.7	Confident	1 Å²	1	59.3 Å²	59.3	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-92.8	-22.7	176.6	-79.6	-78.2	0	0	0	114.3	L30 M31 I34 Y101 D103 T126 F131 A133 V184	L30-F105 HydrophobicContact CD2-CD1 4.49Å; L30-F105 HydrophobicContact CD2-CE1 4.4Å; M31-F105 VanDerWaalsContact CG-O 3.31Å; M31-F105 WeakPolarHBondContact CG-O 3.31Å; I34-F105 HydrophobicContact CD1-CB 3.85Å; I34-F105 HydrophobicContact CD1-CD1 3.61Å; I34-F105 HydrophobicContact CD1-CD2 3.94Å; I34-F105 HydrophobicContact CD1-CE1 4.15Å; I34-F105 HydrophobicContact CD1-CE2 4.45Å; I34-F105 HydrophobicContact CD1-CG 3.5Å; I34-F105 HydrophobicContact CG2-CB 4.27Å; Y101-F105 HydrophobicContact CD1-CD2 4.29Å; Y101-F105 HydrophobicContact CD2-CE2 4.31Å; Y101-F105 HydrophobicContact CE1-CD2 4.04Å; Y101-F105 HydrophobicContact CE1-CE2 4.2Å; Y101-F105 HydrophobicContact CE2-CD2 4.35Å; Y101-F105 AromaticContact CE2-CE2 3.8Å; Y101-F105 HydrophobicContact CE2-CE2 3.8Å; Y101-F105 AromaticContact CZ-CE2 3.76Å; Y101-F105 WeakPolarHBondContact O-CD2 3.37Å; Y101-F105 PolarHBondContact O-N 3.38Å; D103-F105 PolarHBondContact O-N 2.94Å; D103-F105 VanDerWaalsContact O-N 3.14Å; F105-T126 HydrophobicContact CD1-CG2 3.88Å; F105-T126 HydrophobicContact CD2-CG2 4.04Å; F105-T126 HydrophobicContact CE1-CG2 3.63Å; F105-T126 HydrophobicContact CE2-CG2 3.79Å; F105-T126 HydrophobicContact CG-CG2 4.07Å; F105-T126 HydrophobicContact CZ-CG2 3.57Å; F105-F131 HydrophobicContact CE2-CB 3.94Å; F105-F131 HydrophobicContact CE2-CD2 4.07Å; F105-F131 HydrophobicContact CE2-CG 4.22Å; F105-F131 HydrophobicContact CZ-CB 4Å; F105-A133 HydrophobicContact CE1-CB 4.3Å; F105-V184 HydrophobicContact CE1-CG2 4.46Å; F105-V184 HydrophobicContact CE2-CG1 3.79Å; F105-V184 HydrophobicContact CZ-CB 4.42Å; F105-V184 HydrophobicContact CZ-CG1 3.54Å; F105-V184 HydrophobicContact CZ-CG2 3.94Å
106	T	90.9	Very high	86.6	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-115.6	-10.6	-167.6	73.7	0	0	0	0	115.5	K18 F20 N35 W102 D103	K18-T106 WeakPolarHBondContact CE-O 3.48Å; K18-T106 PolarHBondContact NZ-O 3.08Å; K18-T106 PolarHBondContact NZ-OG1 3.09Å; F20-T106 HydrophobicContact CE1-CG2 4.14Å; N35-T106 HydrophobicContact CB-CG2 4.18Å; W102-T106 HydrophobicContact CD2-CG2 4.41Å; W102-T106 HydrophobicContact CG-CG2 4.37Å; W102-T106 VanDerWaalsContact O-CB 3.23Å; W102-T106 WeakPolarHBondContact O-CB 3.39Å; W102-T106 WeakPolarHBondContact O-CG2 3.3Å; W102-T106 PolarHBondContact O-N 3.49Å; W102-T106 PolarHBondContact O-OG1 3.34Å; D103-T106 PolarHBondContact O-N 2.85Å
107	R	89.2	Confident	84.6	Confident	142 Å²	142	69.6 Å²	69.6	54%	0.536	34%	0.338	S	S	.	.	S	Bend	trans	-76.4	-50	175.9	-170.7	-174.8	-68.8	-98.3	-5.8	111.8	D103 Y127	D103-R107 WeakPolarHBondContact O-CB 3.46Å; D103-R107 PolarHBondContact O-N 3.12Å; D103-R107 IonicContact OD1-CZ 3.17Å; D103-R107 IonicContact OD1-NE 2.74Å; D103-R107 PolarHBondContact OD1-NE 3.29Å; D103-R107 IonicContact OD1-NH2 2.76Å; D103-R107 PolarHBondContact OD1-NH2 2.91Å; D103-R107 IonicContact OD2-CZ 3.23Å; D103-R107 IonicContact OD2-NE 3.62Å; D103-R107 PolarHBondContact OD2-NE 3.49Å; D103-R107 IonicContact OD2-NH2 2.7Å; D103-R107 PolarHBondContact OD2-NH2 2.94Å; R107-Y127 HydrophobicContact CB-CE1 3.77Å; R107-Y127 WeakPolarHBondContact CD-OH 2.81Å
108	H	90.1	Very high	82.5	Confident	103 Å²	103	73.2 Å²	73.2	48%	0.477	35%	0.352	S	S	.	.	S	Bend	trans	-130.3	156.9	175.2	-58.9	-83.1	0	0	0	110.1	Y127	H108-Y127 HydrophobicContact CB-CD1 3.79Å; H108-Y127 HydrophobicContact CB-CD2 4.49Å; H108-Y127 HydrophobicContact CB-CG 3.76Å; H108-Y127 AromaticContact CD2-CD2 3.66Å; H108-Y127 AromaticContact CD2-CE2 3.84Å; H108-Y127 AromaticContact CD2-CG 3.79Å
109	Q	91.6	Very high	80.7	Confident	59 Å²	59	73.6 Å²	73.6	28%	0.276	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-61.4	141.8	175.5	64.9	178.8	-8.9	0	0	111.1	A22 N23 M31	A22-Q109 HydrophobicContact CB-CB 3.75Å; N23-Q109 PolarHBondContact OD1-OE1 3.34Å; M31-Q109 HydrophobicContact SD-CB 4.11Å
110	P	92.4	Very high	79.2	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.006	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-68.5	145.7	168.9	29.8	-34.3	0	0	0	110.5	K27 L124 V125	K27-P110 WeakPolarHBondContact CD-O 3.39Å; K27-P110 HydrophobicContact CG-CG 4.37Å; P110-L124 HydrophobicContact CB-CB 4.21Å; P110-L124 HydrophobicContact CB-CD2 4.28Å; P110-L124 HydrophobicContact CG-CD1 4.25Å; P110-L124 HydrophobicContact CG-CD2 4.33Å; P110-V125 CarbonylContact C-O 3.56Å; P110-V125 VanDerWaalsContact CA-O 3.28Å; P110-V125 WeakPolarHBondContact CA-O 3.3Å; P110-V125 WeakPolarHBondContact CB-O 3.41Å
111	L	90.8	Very high	78.3	Confident	101 Å²	101	68.5 Å²	68.5	53%	0.529	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.7	-180	-58.6	179.2	0	0	0	109.6	L124 V125	L111-L124 CarbonylContact O-C 3.54Å; L111-L124 VanDerWaalsContact O-CA 3.3Å; L111-L124 WeakPolarHBondContact O-CA 3.44Å; L111-V125 PolarHBondContact N-O 2.99Å; L111-V125 PolarHBondContact O-N 3.35Å
112	W	87.5	Confident	77.8	Confident	62 Å²	62	73.9 Å²	73.9	24%	0.235	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134.7	167.8	-72.2	116.5	0	0	0	108.6	E24 L26 K27 S114 K122 L124	E24-W112 PolarHBondContact OE1-NE1 2.89Å; E24-W112 PolarHBondContact OE2-NE1 3.35Å; L26-W112 HydrophobicContact CD2-CH2 4.22Å; L26-W112 HydrophobicContact CD2-CZ2 4.19Å; K27-W112 VanDerWaalsContact CE-NE1 3.32Å; W112-S114 PolarHBondContact O-N 3.42Å; W112-K122 HydrophobicContact CE3-CB 3.71Å; W112-K122 HydrophobicContact CE3-CD 4.29Å; W112-K122 HydrophobicContact CH2-CB 4.12Å; W112-K122 HydrophobicContact CH2-CD 4.08Å; W112-K122 HydrophobicContact CZ3-CB 3.3Å; W112-K122 HydrophobicContact CZ3-CD 3.95Å; W112-K122 HydrophobicContact CZ3-CG 4.31Å; W112-L124 HydrophobicContact CD2-CD2 3.47Å; W112-L124 VanDerWaalsContact CD2-CD2 3.47Å; W112-L124 HydrophobicContact CD2-CG 4.06Å; W112-L124 HydrophobicContact CE3-CD2 3.61Å; W112-L124 HydrophobicContact CE3-CG 3.67Å; W112-L124 HydrophobicContact CG-CD2 3.94Å; W112-L124 HydrophobicContact CH2-CD1 4.15Å; W112-L124 HydrophobicContact CH2-CD2 4.19Å; W112-L124 HydrophobicContact CH2-CG 3.88Å; W112-L124 HydrophobicContact CZ2-CD1 4.48Å; W112-L124 HydrophobicContact CZ2-CD2 4.11Å; W112-L124 HydrophobicContact CZ2-CG 4.28Å; W112-L124 HydrophobicContact CZ3-CD1 4.29Å; W112-L124 HydrophobicContact CZ3-CD2 3.96Å; W112-L124 HydrophobicContact CZ3-CG 3.56Å
113	D	80.7	Confident	77.6	Confident	65 Å²	65	74.1 Å²	74.1	35%	0.348	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-69.6	123.1	165.1	-165.2	-31.8	0	0	0	108.7	T115 F123 V125	D113-T115 PolarHBondContact O-N 2.89Å; D113-T115 WeakPolarHBondContact OD1-CB 3.46Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.44Å; D113-T115 PolarHBondContact OD1-N 3.25Å; D113-T115 PolarHBondContact OD1-OG1 3.27Å; D113-T115 PolarHBondContact OD2-OG1 3.48Å; D113-F123 HydrophobicContact CB-CB 4.08Å; D113-F123 PolarHBondContact N-O 2.79Å; D113-V125 HydrophobicContact CB-CG2 4.25Å
114	S	62.3	Low	77.5	Confident	119 Å²	119	72.6 Å²	72.6	83%	0.832	38%	0.375	S	S	*	.	S	Bend	trans	-70.3	-12.3	178.5	-64.8	0	0	0	0	112.8	W112 R116	W112-S114 PolarHBondContact O-N 3.42Å; S114-R116 VanDerWaalsContact C-N 3.26Å; S114-R116 PolarHBondContact O-N 3.46Å
115	T	58.2	Low	77.5	Confident	38 Å²	38	73.5 Å²	73.5	23%	0.233	38%	0.381	C	S	.	.			trans	-69.8	81.9	175	61.9	0	0	0	0	110.9	D113 G117	D113-T115 PolarHBondContact O-N 2.89Å; D113-T115 WeakPolarHBondContact OD1-CB 3.46Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.44Å; D113-T115 PolarHBondContact OD1-N 3.25Å; D113-T115 PolarHBondContact OD1-OG1 3.27Å; D113-T115 PolarHBondContact OD2-OG1 3.48Å; T115-G117 VanDerWaalsContact C-N 3.3Å; T115-G117 PolarHBondContact O-N 3.08Å
116	R	50	Low	77.6	Confident	233 Å²	233	73.6 Å²	73.6	88%	0.879	38%	0.381	S	S	*	.			trans	-71.2	81	-176	-155.4	-177.6	-148.4	-116.3	10.9	111.3	S114	S114-R116 VanDerWaalsContact C-N 3.26Å; S114-R116 PolarHBondContact O-N 3.46Å
117	G	52.9	Low	77.6	Confident	37 Å²	37	77 Å²	77	38%	0.381	39%	0.394	S	S	.	.			trans	-54.5	144	178	0	0	0	0	0	112.8	T115 S119 G120	T115-G117 VanDerWaalsContact C-N 3.3Å; T115-G117 PolarHBondContact O-N 3.08Å; G117-S119 PolarHBondContact O-N 3.2Å; G117-G120 PolarHBondContact O-N 2.72Å
118	K	48.2	Very low	77.6	Confident	207 Å²	207	71.7 Å²	71.7	90%	0.9	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-14.1	-177.5	-65.8	-178.8	179.6	177.3	0	114.3
119	S	53.3	Low	77.7	Confident	100 Å²	100	74.1 Å²	74.1	70%	0.699	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.7	-175	-155	0	0	0	0	114.8	G117 S121	G117-S119 PolarHBondContact O-N 3.2Å; S119-S121 PolarHBondContact O-N 3.06Å
120	G	61.8	Low	77.8	Confident	61 Å²	61	73 Å²	73	63%	0.629	38%	0.377	S	S	*	.	S	Bend	trans	72.2	-21.5	-178.2	0	0	0	0	0	115.2	G117	G117-G120 PolarHBondContact O-N 2.72Å
121	S	74.2	Confident	78	Confident	20 Å²	20	73.1 Å²	73.1	14%	0.14	38%	0.377	C	S	.	.			trans	-54	133.7	162.1	-178.8	0	0	0	0	110.4	S119 K134 T135	S119-S121 PolarHBondContact O-N 3.06Å; S121-K134 WeakPolarHBondContact OG-CE 3.44Å; S121-K134 WeakPolarHBondContact OG-CG 3.34Å; S121-T135 WeakPolarHBondContact CB-O 3.43Å; S121-T135 PolarHBondContact OG-O 3.42Å
122	K	85.3	Confident	78.2	Confident	113 Å²	113	69 Å²	69	49%	0.491	36%	0.356	S	S	.	.			trans	-113.6	143.1	178.9	-57.3	178.3	-175.7	174.8	0	109.9	W112 T135	W112-K122 HydrophobicContact CE3-CB 3.71Å; W112-K122 HydrophobicContact CE3-CD 4.29Å; W112-K122 HydrophobicContact CH2-CB 4.12Å; W112-K122 HydrophobicContact CH2-CD 4.08Å; W112-K122 HydrophobicContact CZ3-CB 3.3Å; W112-K122 HydrophobicContact CZ3-CD 3.95Å; W112-K122 HydrophobicContact CZ3-CG 4.31Å; K122-T135 WeakPolarHBondContact O-CB 3.45Å; K122-T135 PolarHBondContact O-N 3.17Å; K122-T135 PolarHBondContact O-OG1 2.92Å
123	F	90.4	Very high	78.5	Confident	58 Å²	58	66.1 Å²	66.1	25%	0.254	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.4	177.9	-61.2	-86.5	0	0	0	110.9	D113 V132 K134	D113-F123 HydrophobicContact CB-CB 4.08Å; D113-F123 PolarHBondContact N-O 2.79Å; F123-V132 HydrophobicContact CB-CG1 4.16Å; F123-V132 HydrophobicContact CD1-CG1 3.6Å; F123-V132 HydrophobicContact CE1-CG1 4.46Å; F123-V132 HydrophobicContact CG-CG1 4.31Å; F123-K134 HydrophobicContact CD1-CB 3.83Å; F123-K134 HydrophobicContact CD1-CG 3.91Å; F123-K134 HydrophobicContact CE1-CB 3.76Å; F123-K134 HydrophobicContact CE1-CD 3.73Å; F123-K134 HydrophobicContact CE1-CG 3.49Å; F123-K134 VanDerWaalsContact CE1-CG 3.49Å; F123-K134 HydrophobicContact CZ-CD 4.13Å; F123-K134 HydrophobicContact CZ-CG 4.1Å
124	L	92.3	Very high	79.2	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.8	163	-78.3	171.6	0	0	0	108.7	K27 L30 P110 L111 W112 V132 A133	K27-L124 HydrophobicContact CD-CD2 4.39Å; K27-L124 HydrophobicContact CG-CD1 4.43Å; K27-L124 HydrophobicContact CG-CD2 4.25Å; L30-L124 HydrophobicContact CD2-CD1 4.01Å; P110-L124 HydrophobicContact CB-CB 4.21Å; P110-L124 HydrophobicContact CB-CD2 4.28Å; P110-L124 HydrophobicContact CG-CD1 4.25Å; P110-L124 HydrophobicContact CG-CD2 4.33Å; L111-L124 CarbonylContact O-C 3.54Å; L111-L124 VanDerWaalsContact O-CA 3.3Å; L111-L124 WeakPolarHBondContact O-CA 3.44Å; W112-L124 HydrophobicContact CD2-CD2 3.47Å; W112-L124 VanDerWaalsContact CD2-CD2 3.47Å; W112-L124 HydrophobicContact CD2-CG 4.06Å; W112-L124 HydrophobicContact CE3-CD2 3.61Å; W112-L124 HydrophobicContact CE3-CG 3.67Å; W112-L124 HydrophobicContact CG-CD2 3.94Å; W112-L124 HydrophobicContact CH2-CD1 4.15Å; W112-L124 HydrophobicContact CH2-CD2 4.19Å; W112-L124 HydrophobicContact CH2-CG 3.88Å; W112-L124 HydrophobicContact CZ2-CD1 4.48Å; W112-L124 HydrophobicContact CZ2-CD2 4.11Å; W112-L124 HydrophobicContact CZ2-CG 4.28Å; W112-L124 HydrophobicContact CZ3-CD1 4.29Å; W112-L124 HydrophobicContact CZ3-CD2 3.96Å; W112-L124 HydrophobicContact CZ3-CG 3.56Å; L124-V132 CarbonylContact O-C 3.59Å; L124-V132 WeakPolarHBondContact O-CA 3.49Å; L124-A133 HydrophobicContact CB-CB 3.91Å; L124-A133 PolarHBondContact N-O 2.79Å; L124-A133 PolarHBondContact O-N 3.04Å
125	V	93.1	Very high	80.7	Confident	21 Å²	21	59.5 Å²	59.5	13%	0.127	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.8	175.5	-175.7	0	0	0	0	108.5	P110 L111 D113 R129	P110-V125 CarbonylContact C-O 3.56Å; P110-V125 VanDerWaalsContact CA-O 3.28Å; P110-V125 WeakPolarHBondContact CA-O 3.3Å; P110-V125 WeakPolarHBondContact CB-O 3.41Å; L111-V125 PolarHBondContact N-O 2.99Å; L111-V125 PolarHBondContact O-N 3.35Å; D113-V125 HydrophobicContact CB-CG2 4.25Å; V125-R129 HydrophobicContact CG1-CB 4.31Å; V125-R129 HydrophobicContact CG1-CG 4.25Å
126	T	94.2	Very high	82.4	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.018	29%	0.293	C	S	.	.			trans	-64.6	154	175	54.8	0	0	0	0	110.9	S104 F105 N128 R129 Q130 F131	S104-T126 WeakPolarHBondContact O-CB 3.44Å; S104-T126 WeakPolarHBondContact O-CG2 2.97Å; F105-T126 HydrophobicContact CD1-CG2 3.88Å; F105-T126 HydrophobicContact CD2-CG2 4.04Å; F105-T126 HydrophobicContact CE1-CG2 3.63Å; F105-T126 HydrophobicContact CE2-CG2 3.79Å; F105-T126 HydrophobicContact CG-CG2 4.07Å; F105-T126 HydrophobicContact CZ-CG2 3.57Å; T126-N128 WeakPolarHBondContact CB-OD1 3.34Å; T126-N128 PolarHBondContact O-N 3.08Å; T126-N128 VanDerWaalsContact O-N 3.13Å; T126-N128 PolarHBondContact OG1-OD1 2.93Å; T126-R129 WeakPolarHBondContact O-CA 3.47Å; T126-R129 PolarHBondContact O-N 2.59Å; T126-Q130 PolarHBondContact OG1-N 2.53Å; T126-F131 HydrophobicContact CG2-CB 3.91Å; T126-F131 HydrophobicContact CG2-CD2 4.27Å; T126-F131 PolarHBondContact N-O 2.83Å; T126-F131 PolarHBondContact OG1-N 2.77Å; T126-F131 VanDerWaalsContact OG1-N 3.14Å; T126-F131 PolarHBondContact OG1-O 2.74Å
127	Y	90.7	Very high	84.5	Confident	73 Å²	73	49.4 Å²	49.4	29%	0.286	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.3	-175.3	72.2	-86.8	0	0	0	113.1	D103 S104 R107 H108 R129	D103-Y127 WeakPolarHBondContact O-CE1 3.46Å; D103-Y127 PolarHBondContact OD2-OH 2.93Å; S104-Y127 VanDerWaalsContact O-CD1 3.31Å; S104-Y127 WeakPolarHBondContact O-CD1 3.5Å; S104-Y127 WeakPolarHBondContact O-CE1 3.43Å; R107-Y127 HydrophobicContact CB-CE1 3.77Å; R107-Y127 WeakPolarHBondContact CD-OH 2.81Å; H108-Y127 HydrophobicContact CB-CD1 3.79Å; H108-Y127 HydrophobicContact CB-CD2 4.49Å; H108-Y127 HydrophobicContact CB-CG 3.76Å; H108-Y127 AromaticContact CD2-CD2 3.66Å; H108-Y127 AromaticContact CD2-CE2 3.84Å; H108-Y127 AromaticContact CD2-CG 3.79Å; Y127-R129 VanDerWaalsContact C-N 3.31Å
128	N	91	Very high	86.4	Confident	30 Å²	30	51 Å²	51	16%	0.16	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	9	175.6	67.9	-11.8	0	0	0	113.7	S104 T126 Q130 P191	S104-N128 PolarHBondContact OG-ND2 2.88Å; T126-N128 WeakPolarHBondContact CB-OD1 3.34Å; T126-N128 PolarHBondContact O-N 3.08Å; T126-N128 VanDerWaalsContact O-N 3.13Å; T126-N128 PolarHBondContact OG1-OD1 2.93Å; N128-Q130 HydrophobicContact CB-CG 4.49Å; N128-Q130 VanDerWaalsContact ND2-CD 3.28Å; N128-Q130 PolarHBondContact ND2-NE2 2.71Å; N128-Q130 PolarHBondContact O-N 2.82Å; N128-Q130 PolarHBondContact OD1-N 3.18Å; N128-P191 WeakPolarHBondContact O-CB 3.3Å
129	R	91.9	Very high	88.5	Confident	154 Å²	154	46.2 Å²	46.2	58%	0.581	25%	0.253	S	S	*	.	S	Bend	trans	57.3	10	177.8	-58.6	177.9	-179.6	-116.5	4.4	116.5	V125 T126 Y127 N187 P191	V125-R129 HydrophobicContact CG1-CB 4.31Å; V125-R129 HydrophobicContact CG1-CG 4.25Å; T126-R129 WeakPolarHBondContact O-CA 3.47Å; T126-R129 PolarHBondContact O-N 2.59Å; Y127-R129 VanDerWaalsContact C-N 3.31Å; R129-N187 VanDerWaalsContact O-CB 3.26Å; R129-N187 WeakPolarHBondContact O-CB 3.43Å; R129-N187 PolarHBondContact O-ND2 2.69Å; R129-P191 HydrophobicContact CB-CB 4Å
130	Q	93.3	Very high	90.5	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.173	23%	0.228	C	C	.	.	S	Bend	trans	-74.7	-31.1	-178.1	-67.4	-173.7	9.5	0	0	114	T126 N128 N187 P191 L419	T126-Q130 PolarHBondContact OG1-N 2.53Å; N128-Q130 HydrophobicContact CB-CG 4.49Å; N128-Q130 VanDerWaalsContact ND2-CD 3.28Å; N128-Q130 PolarHBondContact ND2-NE2 2.71Å; N128-Q130 PolarHBondContact O-N 2.82Å; N128-Q130 PolarHBondContact OD1-N 3.18Å; Q130-N187 WeakPolarHBondContact O-CB 3.17Å; Q130-N187 PolarHBondContact O-N 3.12Å; Q130-P191 HydrophobicContact CG-CB 4.3Å; Q130-P191 HydrophobicContact CG-CG 4.23Å; Q130-L419 HydrophobicContact CG-CD2 4.07Å
131	F	95.6	Very high	92.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.9	-174.3	-52.1	-63.7	0	0	0	112.1	V96 Y101 S104 F105 T126 L168 V184 M185	V96-F131 HydrophobicContact CG1-CE1 4.09Å; V96-F131 HydrophobicContact CG1-CZ 3.82Å; V96-F131 HydrophobicContact CG2-CE1 4.19Å; Y101-F131 HydrophobicContact CD2-CD1 4.47Å; Y101-F131 HydrophobicContact CD2-CD2 4.24Å; Y101-F131 HydrophobicContact CD2-CE1 4.28Å; Y101-F131 HydrophobicContact CD2-CE2 4.03Å; Y101-F131 HydrophobicContact CD2-CG 4.47Å; Y101-F131 HydrophobicContact CD2-CZ 4.05Å; S104-F131 WeakPolarHBondContact OG-CE2 3.3Å; F105-F131 HydrophobicContact CE2-CB 3.94Å; F105-F131 HydrophobicContact CE2-CD2 4.07Å; F105-F131 HydrophobicContact CE2-CG 4.22Å; F105-F131 HydrophobicContact CZ-CB 4Å; T126-F131 HydrophobicContact CG2-CB 3.91Å; T126-F131 HydrophobicContact CG2-CD2 4.27Å; T126-F131 PolarHBondContact N-O 2.83Å; T126-F131 PolarHBondContact OG1-N 2.77Å; T126-F131 VanDerWaalsContact OG1-N 3.14Å; T126-F131 PolarHBondContact OG1-O 2.74Å; F131-L168 HydrophobicContact CD1-CD1 3.27Å; F131-L168 HydrophobicContact CE1-CD1 3.35Å; F131-L168 HydrophobicContact CG-CD1 4.35Å; F131-L168 HydrophobicContact CZ-CD1 4.46Å; F131-V184 HydrophobicContact CB-CG1 4.25Å; F131-M185 WeakPolarHBondContact CA-O 3.43Å
132	V	94.8	Very high	93.1	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.097	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.2	176.6	-178.9	0	0	0	0	108.7	F123 L124 V184 M185 N187	F123-V132 HydrophobicContact CB-CG1 4.16Å; F123-V132 HydrophobicContact CD1-CG1 3.6Å; F123-V132 HydrophobicContact CE1-CG1 4.46Å; F123-V132 HydrophobicContact CG-CG1 4.31Å; L124-V132 CarbonylContact O-C 3.59Å; L124-V132 WeakPolarHBondContact O-CA 3.49Å; V132-V184 CarbonylContact O-C 3.59Å; V132-V184 WeakPolarHBondContact O-CA 3.38Å; V132-M185 HydrophobicContact CB-CG 4.27Å; V132-M185 PolarHBondContact N-O 3.14Å; V132-M185 PolarHBondContact O-N 2.97Å; V132-N187 HydrophobicContact CG2-CB 3.82Å
133	A	95.4	Very high	93.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	97.5	179.4	0	0	0	0	0	108.6	F105 L124 I182 V184	F105-A133 HydrophobicContact CE1-CB 4.3Å; L124-A133 HydrophobicContact CB-CB 3.91Å; L124-A133 PolarHBondContact N-O 2.79Å; L124-A133 PolarHBondContact O-N 3.04Å; A133-I182 HydrophobicContact CB-CG2 3.71Å; A133-V184 HydrophobicContact CB-CG2 4.02Å
134	K	94.2	Very high	93.7	Very high	12 Å²	12	38.1 Å²	38.1	5%	0.052	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.3	-178.9	-175.4	-176.7	179.5	-167.6	0	110.1	S121 F123 I136 E140 I182 L183 M185 D442	S121-K134 WeakPolarHBondContact OG-CE 3.44Å; S121-K134 WeakPolarHBondContact OG-CG 3.34Å; F123-K134 HydrophobicContact CD1-CB 3.83Å; F123-K134 HydrophobicContact CD1-CG 3.91Å; F123-K134 HydrophobicContact CE1-CB 3.76Å; F123-K134 HydrophobicContact CE1-CD 3.73Å; F123-K134 HydrophobicContact CE1-CG 3.49Å; F123-K134 VanDerWaalsContact CE1-CG 3.49Å; F123-K134 HydrophobicContact CZ-CD 4.13Å; F123-K134 HydrophobicContact CZ-CG 4.1Å; K134-I136 HydrophobicContact CB-CG2 4.38Å; K134-I136 HydrophobicContact CD-CG2 3.82Å; K134-I136 HydrophobicContact CG-CG2 3.88Å; K134-E140 IonicContact NZ-OE1 2.66Å; K134-E140 PolarHBondContact NZ-OE1 3.41Å; K134-I182 WeakPolarHBondContact O-CA 3.5Å; K134-L183 PolarHBondContact N-O 2.69Å; K134-L183 PolarHBondContact O-N 3.28Å; K134-M185 HydrophobicContact CB-CE 3.89Å; K134-D442 IonicContact NZ-OD1 3.83Å; K134-D442 PolarHBondContact NZ-OD1 3.03Å
135	T	94	Very high	93.9	Very high	32 Å²	32	40.9 Å²	40.9	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.8	167.4	-48.7	0	0	0	0	109.1	S121 K122 Y181	S121-T135 WeakPolarHBondContact CB-O 3.43Å; S121-T135 PolarHBondContact OG-O 3.42Å; K122-T135 WeakPolarHBondContact O-CB 3.45Å; K122-T135 PolarHBondContact O-N 3.17Å; K122-T135 PolarHBondContact O-OG1 2.92Å; T135-Y181 CarbonylContact C-O 3.55Å; T135-Y181 WeakPolarHBondContact CA-O 3.47Å
136	I	94.3	Very high	93.9	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	161.8	-178.1	62.6	166.9	0	0	0	112	K134 E140 V141 L170 Y181 L183 L444	K134-I136 HydrophobicContact CB-CG2 4.38Å; K134-I136 HydrophobicContact CD-CG2 3.82Å; K134-I136 HydrophobicContact CG-CG2 3.88Å; I136-E140 HydrophobicContact CB-CB 3.93Å; I136-E140 HydrophobicContact CD1-CB 4.14Å; I136-E140 HydrophobicContact CG1-CB 4.49Å; I136-V141 HydrophobicContact CD1-CG2 3.54Å; I136-V141 HydrophobicContact CG1-CG2 3.93Å; I136-L170 HydrophobicContact CD1-CD1 3.96Å; I136-Y181 PolarHBondContact N-O 3.06Å; I136-L183 HydrophobicContact CD1-CB 3.93Å; I136-L183 HydrophobicContact CD1-CD2 4.32Å; I136-L183 HydrophobicContact CG1-CB 4.35Å; I136-L183 HydrophobicContact CG2-CB 4.26Å; I136-L444 HydrophobicContact CD1-CD1 4.37Å
137	S	93.5	Very high	93.9	Very high	49 Å²	49	43.4 Å²	43.4	34%	0.343	21%	0.212	S	C	.	.			trans	-78.9	163.4	174.5	60.7	0	0	0	0	112.5	E139 E140 V141	S137-E139 VanDerWaalsContact C-N 3.27Å; S137-E139 PolarHBondContact O-N 3.44Å; S137-E140 WeakPolarHBondContact CB-OE2 3.45Å; S137-E140 PolarHBondContact N-OE2 2.87Å; S137-E140 PolarHBondContact O-N 3.15Å; S137-E140 WeakPolarHBondContact OG-CB 3.46Å; S137-E140 WeakPolarHBondContact OG-CG 3.3Å; S137-E140 PolarHBondContact OG-N 3.03Å; S137-E140 PolarHBondContact OG-OE2 3.01Å; S137-V141 WeakPolarHBondContact O-CG2 3.29Å; S137-V141 PolarHBondContact O-N 3.32Å; S137-V141 VanDerWaalsContact O-N 3.07Å
138	S	93.4	Very high	94.2	Very high	71 Å²	71	40 Å²	40	50%	0.497	20%	0.199	S	C	.	.	H	α-helix	trans	-62.3	-33.4	171.8	47.4	0	0	0	0	112.7	V141 E142	S138-V141 WeakPolarHBondContact O-CB 3.48Å; S138-V141 PolarHBondContact O-N 3.4Å; S138-E142 PolarHBondContact O-N 3.17Å
139	E	92.1	Very high	94.5	Very high	106 Å²	106	42.2 Å²	42.2	50%	0.495	21%	0.208	S	C	.	.	H	α-helix	trans	-64.5	-40.6	174.3	-58.1	-169.8	164.7	0	0	111.6	S137 E142 Q143 R450	S137-E139 VanDerWaalsContact C-N 3.27Å; S137-E139 PolarHBondContact O-N 3.44Å; E139-E142 PolarHBondContact O-N 3.27Å; E139-Q143 PolarHBondContact O-N 3.11Å; E139-R450 IonicContact OE1-CZ 3.14Å; E139-R450 VanDerWaalsContact OE1-CZ 3.23Å; E139-R450 IonicContact OE1-NH1 3.99Å; E139-R450 PolarHBondContact OE1-NH1 3.24Å; E139-R450 IonicContact OE1-NH2 3.23Å; E139-R450 PolarHBondContact OE1-NH2 3.11Å; E139-R450 IonicContact OE2-CZ 2.59Å; E139-R450 IonicContact OE2-NH1 2.71Å; E139-R450 PolarHBondContact OE2-NH1 3.23Å; E139-R450 IonicContact OE2-NH2 3.8Å
140	E	94.3	Very high	94.7	Very high	37 Å²	37	39.1 Å²	39.1	17%	0.173	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-32.7	173.5	-78.1	167.9	109.6	0	0	112.7	K134 I136 S137 Q143 M144 L444	K134-E140 IonicContact NZ-OE1 2.66Å; K134-E140 PolarHBondContact NZ-OE1 3.41Å; I136-E140 HydrophobicContact CB-CB 3.93Å; I136-E140 HydrophobicContact CD1-CB 4.14Å; I136-E140 HydrophobicContact CG1-CB 4.49Å; S137-E140 WeakPolarHBondContact CB-OE2 3.45Å; S137-E140 PolarHBondContact N-OE2 2.87Å; S137-E140 PolarHBondContact O-N 3.15Å; S137-E140 WeakPolarHBondContact OG-CB 3.46Å; S137-E140 WeakPolarHBondContact OG-CG 3.3Å; S137-E140 PolarHBondContact OG-N 3.03Å; S137-E140 PolarHBondContact OG-OE2 3.01Å; E140-Q143 PolarHBondContact O-N 3.36Å; E140-M144 WeakPolarHBondContact O-CB 3.24Å; E140-M144 PolarHBondContact O-N 2.9Å; E140-L444 HydrophobicContact CB-CB 4.24Å; E140-L444 HydrophobicContact CB-CD1 3.95Å; E140-L444 HydrophobicContact CG-CB 3.95Å; E140-L444 HydrophobicContact CG-CD1 4.31Å
141	V	95.9	Very high	94.9	Very high	10 Å²	10	37.4 Å²	37.4	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-45	174.4	171.1	0	0	0	0	111.1	I136 S137 S138 Q143 M144 H145 L170 Y181	I136-V141 HydrophobicContact CD1-CG2 3.54Å; I136-V141 HydrophobicContact CG1-CG2 3.93Å; S137-V141 WeakPolarHBondContact O-CG2 3.29Å; S137-V141 PolarHBondContact O-N 3.32Å; S137-V141 VanDerWaalsContact O-N 3.07Å; S138-V141 WeakPolarHBondContact O-CB 3.48Å; S138-V141 PolarHBondContact O-N 3.4Å; V141-Q143 VanDerWaalsContact C-N 3.3Å; V141-Q143 PolarHBondContact O-N 2.86Å; V141-M144 PolarHBondContact O-N 2.93Å; V141-H145 PolarHBondContact O-CD2 3.31Å; V141-H145 PolarHBondContact O-N 2.7Å; V141-L170 HydrophobicContact CG1-CD2 4.42Å; V141-L170 HydrophobicContact CG2-CD1 4.37Å; V141-Y181 HydrophobicContact CB-CD1 4.47Å; V141-Y181 HydrophobicContact CG1-CD1 4.44Å; V141-Y181 HydrophobicContact CG2-CD1 3.57Å; V141-Y181 HydrophobicContact CG2-CD2 4.39Å; V141-Y181 HydrophobicContact CG2-CE1 4.26Å; V141-Y181 HydrophobicContact CG2-CG 3.63Å
142	E	94.9	Very high	95	Very high	120 Å²	120	38.7 Å²	38.7	56%	0.561	20%	0.197	S	C	*	.	H	α-helix	trans	-60.2	-43.8	174.6	-162.9	-164.1	153.3	0	0	110.4	S138 E139 M144 H145 Q146	S138-E142 PolarHBondContact O-N 3.17Å; E139-E142 PolarHBondContact O-N 3.27Å; E142-M144 PolarHBondContact O-N 3.23Å; E142-H145 PolarHBondContact O-N 2.73Å; E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 2.87Å; E142-Q146 PolarHBondContact OE1-NE2 3.43Å
143	Q	94	Very high	95.1	Very high	13 Å²	13	40.2 Å²	40.2	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-39.7	176.2	-174.3	51.8	48	0	0	113	E139 E140 V141 H145 Q146 M147 L247 L444 R446	E139-Q143 PolarHBondContact O-N 3.11Å; E140-Q143 PolarHBondContact O-N 3.36Å; V141-Q143 VanDerWaalsContact C-N 3.3Å; V141-Q143 PolarHBondContact O-N 2.86Å; Q143-H145 VanDerWaalsContact C-N 3.31Å; Q143-H145 PolarHBondContact O-N 2.59Å; Q143-Q146 PolarHBondContact O-N 2.59Å; Q143-M147 WeakPolarHBondContact O-CG 3.11Å; Q143-M147 PolarHBondContact O-N 3.12Å; Q143-L247 HydrophobicContact CG-CD2 4.15Å; Q143-L444 WeakPolarHBondContact CG-O 3.44Å; Q143-R446 HydrophobicContact CG-CB 4.27Å
144	M	95.5	Very high	95.1	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-43.5	175.2	-174.7	67.7	-140.7	0	0	110.8	F87 E140 V141 E142 M147 L148 F167 L170 L183 L444	F87-M144 HydrophobicContact CZ-CE 4.35Å; E140-M144 WeakPolarHBondContact O-CB 3.24Å; E140-M144 PolarHBondContact O-N 2.9Å; V141-M144 PolarHBondContact O-N 2.93Å; E142-M144 PolarHBondContact O-N 3.23Å; M144-M147 HydrophobicContact CE-CE 4.31Å; M144-M147 PolarHBondContact O-N 3.12Å; M144-M147 HydrophobicContact SD-CE 3.86Å; M144-L148 HydrophobicContact CE-CD1 3.58Å; M144-L148 WeakPolarHBondContact O-CB 3.27Å; M144-L148 PolarHBondContact O-N 3.31Å; M144-L148 VanDerWaalsContact O-N 3.17Å; M144-F167 HydrophobicContact CE-CD2 3.59Å; M144-F167 HydrophobicContact CE-CE2 4.02Å; M144-F167 HydrophobicContact CE-CG 4.21Å; M144-F167 HydrophobicContact SD-CD2 3.92Å; M144-F167 HydrophobicContact SD-CE2 3.86Å; M144-F167 HydrophobicContact SD-CG 4.39Å; M144-F167 HydrophobicContact SD-CZ 4.29Å; M144-L170 HydrophobicContact CB-CD2 4.43Å; M144-L170 HydrophobicContact CG-CD2 4.04Å; M144-L183 HydrophobicContact SD-CD1 4.46Å; M144-L183 HydrophobicContact SD-CD2 4.48Å; M144-L444 HydrophobicContact CB-CD2 4.21Å; M144-L444 HydrophobicContact SD-CD2 3.92Å
145	H	95.4	Very high	95.3	Very high	59 Å²	59	41.6 Å²	41.6	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-64.8	-38.8	174.1	-83.2	-73.8	0	0	0	113.2	Y82 C83 V141 E142 Q143 M147	Y82-H145 AromaticContact CD1-CE1 3.71Å; Y82-H145 AromaticContact CD1-NE2 3.13Å; Y82-H145 WeakPolarHBondContact CD1-NE2 3.48Å; Y82-H145 AromaticContact CE1-NE2 3.76Å; Y82-H145 AromaticContact CG-NE2 3.73Å; C83-H145 PolarHBondContact SG-CE1 2.87Å; V141-H145 PolarHBondContact O-CD2 3.31Å; V141-H145 PolarHBondContact O-N 2.7Å; E142-H145 PolarHBondContact O-N 2.73Å; Q143-H145 VanDerWaalsContact C-N 3.31Å; Q143-H145 PolarHBondContact O-N 2.59Å; H145-M147 PolarHBondContact O-N 2.93Å
146	Q	93.9	Very high	95.3	Very high	77 Å²	77	42.3 Å²	42.3	36%	0.36	22%	0.218	S	C	.	.	H	α-helix	trans	-64.9	-22.1	178.7	-74.7	177.6	33.8	0	0	114	E142 Q143	E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 2.87Å; E142-Q146 PolarHBondContact OE1-NE2 3.43Å; Q143-Q146 PolarHBondContact O-N 2.59Å
147	M	94.5	Very high	95.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	2	-177.6	75	-175.5	-145.6	0	0	114.3	Q143 M144 H145 Y151 F167 L247 I443 L444	Q143-M147 WeakPolarHBondContact O-CG 3.11Å; Q143-M147 PolarHBondContact O-N 3.12Å; M144-M147 HydrophobicContact CE-CE 4.31Å; M144-M147 PolarHBondContact O-N 3.12Å; M144-M147 HydrophobicContact SD-CE 3.86Å; H145-M147 PolarHBondContact O-N 2.93Å; M147-Y151 WeakPolarHBondContact O-CB 3.49Å; M147-Y151 PolarHBondContact O-N 2.88Å; M147-F167 HydrophobicContact CE-CE2 3.71Å; M147-F167 HydrophobicContact CE-CZ 4.29Å; M147-L247 HydrophobicContact SD-CD1 3.76Å; M147-L247 HydrophobicContact SD-CD2 4.45Å; M147-I443 HydrophobicContact CE-CD1 3.84Å; M147-I443 HydrophobicContact CE-CG1 4.31Å; M147-L444 HydrophobicContact CE-CD2 3.5Å; M147-L444 HydrophobicContact SD-CD2 3.9Å
148	L	96.8	Very high	95.4	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-71.5	-33.8	-169.9	-177.2	64.6	0	0	0	113.1	F55 C83 V86 F87 L90 M144 Y152	F55-L148 HydrophobicContact CD1-CB 4.28Å; F55-L148 HydrophobicContact CD1-CD2 4Å; F55-L148 HydrophobicContact CD1-CG 3.79Å; F55-L148 HydrophobicContact CE1-CG 4.13Å; C83-L148 HydrophobicContact CB-CD2 3.68Å; C83-L148 WeakPolarHBondContact SG-CD2 3.49Å; V86-L148 HydrophobicContact CB-CD2 4.43Å; V86-L148 HydrophobicContact CG1-CD1 4.07Å; V86-L148 HydrophobicContact CG1-CD2 4.13Å; V86-L148 HydrophobicContact CG1-CG 4.08Å; F87-L148 HydrophobicContact CZ-CD1 4.25Å; L90-L148 HydrophobicContact CD1-CD1 4.32Å; M144-L148 HydrophobicContact CE-CD1 3.58Å; M144-L148 WeakPolarHBondContact O-CB 3.27Å; M144-L148 PolarHBondContact O-N 3.31Å; M144-L148 VanDerWaalsContact O-N 3.17Å; L148-Y152 VanDerWaalsContact O-CB 3.25Å; L148-Y152 WeakPolarHBondContact O-CB 3.47Å; L148-Y152 PolarHBondContact O-N 3.01Å
149	E	96.4	Very high	95.3	Very high	76 Å²	76	52.7 Å²	52.7	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-69.5	-44.4	178.7	-167.9	171.7	162.1	0	0	110.3	K52 F55 S153	K52-E149 IonicContact NZ-OE1 3.57Å; K52-E149 PolarHBondContact NZ-OE1 2.83Å; K52-E149 IonicContact NZ-OE2 2.72Å; F55-E149 HydrophobicContact CD1-CB 4.09Å; F55-E149 HydrophobicContact CE1-CB 4.22Å; F55-E149 HydrophobicContact CE1-CG 4.48Å; F55-E149 HydrophobicContact CG-CB 4.5Å; F55-E149 HydrophobicContact CZ-CG 4.49Å; E149-S153 PolarHBondContact O-N 2.86Å
150	E	96.2	Very high	95.3	Very high	90 Å²	90	47.8 Å²	47.8	42%	0.421	24%	0.236	S	C	.	.	H	α-helix	trans	-64.8	-48.7	174.9	-65.3	72.8	-163.5	0	0	111.4	Y152 S153 Y154 F241	E150-Y152 PolarHBondContact O-N 3.23Å; E150-S153 WeakPolarHBondContact O-CB 3.41Å; E150-S153 PolarHBondContact O-N 3.01Å; E150-Y154 WeakPolarHBondContact O-CB 3.3Å; E150-Y154 PolarHBondContact O-N 2.83Å; E150-F241 HydrophobicContact CB-CE2 4.11Å
151	Y	97.6	Very high	95.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-47.2	176.2	176	-96.1	0	0	0	110.9	L90 F94 M147 S153 Y154 I155 P165 Q166 F167 F241	L90-Y151 HydrophobicContact CD1-CD1 4.31Å; L90-Y151 HydrophobicContact CD1-CE1 3.96Å; L90-Y151 HydrophobicContact CD2-CD1 4.31Å; L90-Y151 HydrophobicContact CD2-CE1 3.88Å; F94-Y151 HydrophobicContact CZ-CE1 4.5Å; F94-Y151 WeakPolarHBondContact CZ-OH 3.3Å; M147-Y151 WeakPolarHBondContact O-CB 3.49Å; M147-Y151 PolarHBondContact O-N 2.88Å; Y151-S153 VanDerWaalsContact C-N 3.33Å; Y151-S153 PolarHBondContact O-N 2.7Å; Y151-Y154 WeakPolarHBondContact O-CB 3.27Å; Y151-Y154 PolarHBondContact O-N 2.79Å; Y151-Y154 VanDerWaalsContact O-N 3.16Å; Y151-I155 HydrophobicContact CD1-CG1 4.14Å; Y151-I155 HydrophobicContact CD2-CG1 4.41Å; Y151-I155 HydrophobicContact CE1-CD1 4.49Å; Y151-I155 HydrophobicContact CE1-CG1 3.76Å; Y151-I155 HydrophobicContact CE2-CD1 4.07Å; Y151-I155 HydrophobicContact CE2-CG1 4.08Å; Y151-I155 HydrophobicContact CG-CG1 4.45Å; Y151-I155 WeakPolarHBondContact O-CG1 3.43Å; Y151-I155 PolarHBondContact O-N 3.46Å; Y151-P165 PolarHBondContact OH-O 3.18Å; Y151-Q166 WeakPolarHBondContact OH-CA 3.38Å; Y151-F167 HydrophobicContact CD1-CD2 4.36Å; Y151-F167 HydrophobicContact CD2-CD2 4.41Å; Y151-F167 HydrophobicContact CD2-CE2 4.41Å; Y151-F167 HydrophobicContact CE1-CB 4.45Å; Y151-F167 AromaticContact CE1-CD2 3.8Å; Y151-F167 HydrophobicContact CE1-CD2 3.8Å; Y151-F167 AromaticContact CE2-CD2 3.83Å; Y151-F167 HydrophobicContact CE2-CD2 3.83Å; Y151-F167 AromaticContact CE2-CE2 3.97Å; Y151-F167 HydrophobicContact CE2-CE2 3.97Å; Y151-F167 AromaticContact CZ-CD2 3.48Å; Y151-F167 VanDerWaalsContact CZ-CD2 3.48Å; Y151-F167 PolarHBondContact OH-N 2.99Å; Y151-F241 HydrophobicContact CD2-CE1 4.33Å; Y151-F241 HydrophobicContact CD2-CZ 4.17Å
152	Y	97.3	Very high	95.2	Very high	30 Å²	30	50.2 Å²	50.2	12%	0.118	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-44.4	176.1	-178.9	-93.9	0	0	0	111.5	L50 F55 V86 S89 L90 R93 L148 E150 Y154 I155 V156	L50-Y152 HydrophobicContact CD1-CD1 4.28Å; L50-Y152 HydrophobicContact CD1-CD2 4.04Å; L50-Y152 HydrophobicContact CD1-CE1 3.79Å; L50-Y152 HydrophobicContact CD1-CE2 3.54Å; L50-Y152 HydrophobicContact CD1-CG 4.39Å; F55-Y152 HydrophobicContact CE1-CG 4.2Å; F55-Y152 AromaticContact CZ-CD1 3.92Å; F55-Y152 HydrophobicContact CZ-CD1 3.92Å; F55-Y152 AromaticContact CZ-CG 3.99Å; F55-Y152 HydrophobicContact CZ-CG 3.99Å; V86-Y152 HydrophobicContact CG1-CD2 4.02Å; V86-Y152 HydrophobicContact CG1-CG 4.43Å; S89-Y152 PolarHBondContact OG-OH 2.88Å; S89-Y152 VanDerWaalsContact OG-OH 3.06Å; L90-Y152 HydrophobicContact CD2-CD2 3.82Å; L90-Y152 HydrophobicContact CD2-CE2 4.47Å; L90-Y152 HydrophobicContact CG-CD2 4.05Å; R93-Y152 PolarHBondContact NE-OH 3.13Å; R93-Y152 PolarHBondContact NH2-OH 2.88Å; L148-Y152 VanDerWaalsContact O-CB 3.25Å; L148-Y152 WeakPolarHBondContact O-CB 3.47Å; L148-Y152 PolarHBondContact O-N 3.01Å; E150-Y152 PolarHBondContact O-N 3.23Å; Y152-Y154 VanDerWaalsContact C-N 3.32Å; Y152-Y154 PolarHBondContact O-N 2.83Å; Y152-I155 PolarHBondContact O-N 3.01Å; Y152-V156 HydrophobicContact CD1-CG2 3.86Å; Y152-V156 HydrophobicContact CE1-CG2 3.51Å; Y152-V156 HydrophobicContact CE2-CG2 4.35Å; Y152-V156 HydrophobicContact CG-CG2 4.42Å; Y152-V156 WeakPolarHBondContact O-CG2 3.21Å; Y152-V156 PolarHBondContact O-N 3.26Å
153	S	96.5	Very high	95.3	Very high	47 Å²	47	45.2 Å²	45.2	33%	0.329	22%	0.223	S	C	.	.	H	α-helix	trans	-59.7	-40.6	174.8	-168.9	0	0	0	0	112.6	E149 E150 Y151 V156 K157	E149-S153 PolarHBondContact O-N 2.86Å; E150-S153 WeakPolarHBondContact O-CB 3.41Å; E150-S153 PolarHBondContact O-N 3.01Å; Y151-S153 VanDerWaalsContact C-N 3.33Å; Y151-S153 PolarHBondContact O-N 2.7Å; S153-V156 PolarHBondContact O-N 2.87Å; S153-K157 VanDerWaalsContact O-CG 3.29Å; S153-K157 WeakPolarHBondContact O-CG 3.5Å; S153-K157 PolarHBondContact O-N 3.05Å; S153-K157 WeakPolarHBondContact OG-CE 3.42Å
154	Y	97.1	Very high	95.4	Very high	40 Å²	40	44.6 Å²	44.6	16%	0.157	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-50.1	177.6	-176	-104.7	0	0	0	111.5	E150 Y151 Y152 V156 K157 G158 L164 C237 D238 F241	E150-Y154 WeakPolarHBondContact O-CB 3.3Å; E150-Y154 PolarHBondContact O-N 2.83Å; Y151-Y154 WeakPolarHBondContact O-CB 3.27Å; Y151-Y154 PolarHBondContact O-N 2.79Å; Y151-Y154 VanDerWaalsContact O-N 3.16Å; Y152-Y154 VanDerWaalsContact C-N 3.32Å; Y152-Y154 PolarHBondContact O-N 2.83Å; Y154-V156 VanDerWaalsContact C-N 3.29Å; Y154-V156 PolarHBondContact O-N 2.82Å; Y154-K157 PolarHBondContact O-N 2.84Å; Y154-K157 VanDerWaalsContact O-N 3.14Å; Y154-G158 PolarHBondContact O-N 2.99Å; Y154-L164 HydrophobicContact CD1-CD1 3.89Å; Y154-L164 HydrophobicContact CE1-CD1 3.62Å; Y154-C237 VanDerWaalsContact OH-CB 3.3Å; Y154-C237 WeakPolarHBondContact OH-CB 3.26Å; Y154-C237 PolarHBondContact OH-O 3.36Å; Y154-D238 VanDerWaalsContact CE1-OD1 3.27Å; Y154-D238 WeakPolarHBondContact CE1-OD1 3.38Å; Y154-D238 VanDerWaalsContact CZ-OD1 3.31Å; Y154-D238 WeakPolarHBondContact OH-CA 3.25Å; Y154-D238 PolarHBondContact OH-N 2.95Å; Y154-D238 VanDerWaalsContact OH-N 3.12Å; Y154-D238 PolarHBondContact OH-OD1 2.84Å; Y154-F241 HydrophobicContact CD1-CD2 4.29Å; Y154-F241 HydrophobicContact CD1-CG 4.23Å; Y154-F241 HydrophobicContact CD2-CB 3.98Å; Y154-F241 AromaticContact CD2-CD2 3.92Å; Y154-F241 HydrophobicContact CD2-CD2 3.92Å; Y154-F241 HydrophobicContact CD2-CG 4.15Å; Y154-F241 HydrophobicContact CE2-CB 3.92Å; Y154-F241 HydrophobicContact CE2-CG 4.5Å; Y154-F241 HydrophobicContact CG-CB 4.32Å; Y154-F241 AromaticContact CG-CD2 3.71Å; Y154-F241 HydrophobicContact CG-CD2 3.71Å; Y154-F241 HydrophobicContact CG-CE2 4.28Å; Y154-F241 HydrophobicContact CG-CG 4.02Å
155	I	97.2	Very high	95.5	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-36.4	176.3	-63.2	-51.8	0	0	0	112.3	L90 R93 F94 Y151 Y152 H159 G160 T162	L90-I155 HydrophobicContact CD2-CB 4.2Å; L90-I155 HydrophobicContact CD2-CG1 4.24Å; L90-I155 HydrophobicContact CD2-CG2 4.01Å; R93-I155 HydrophobicContact CB-CG2 4.31Å; F94-I155 HydrophobicContact CD1-CG2 4.4Å; F94-I155 HydrophobicContact CE1-CD1 3.82Å; F94-I155 HydrophobicContact CE1-CG1 4.19Å; F94-I155 HydrophobicContact CE1-CG2 3.62Å; F94-I155 HydrophobicContact CZ-CB 4.42Å; F94-I155 HydrophobicContact CZ-CD1 3.74Å; F94-I155 HydrophobicContact CZ-CG1 3.79Å; F94-I155 HydrophobicContact CZ-CG2 3.71Å; Y151-I155 HydrophobicContact CD1-CG1 4.14Å; Y151-I155 HydrophobicContact CD2-CG1 4.41Å; Y151-I155 HydrophobicContact CE1-CD1 4.49Å; Y151-I155 HydrophobicContact CE1-CG1 3.76Å; Y151-I155 HydrophobicContact CE2-CD1 4.07Å; Y151-I155 HydrophobicContact CE2-CG1 4.08Å; Y151-I155 HydrophobicContact CG-CG1 4.45Å; Y151-I155 WeakPolarHBondContact O-CG1 3.43Å; Y151-I155 PolarHBondContact O-N 3.46Å; Y152-I155 PolarHBondContact O-N 3.01Å; I155-H159 PolarHBondContact O-N 2.93Å; I155-G160 PolarHBondContact O-N 2.95Å; I155-T162 HydrophobicContact CD1-CG2 3.65Å
156	V	95.5	Very high	95.6	Very high	48 Å²	48	42.3 Å²	42.3	29%	0.291	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-46.8	174.6	176.1	0	0	0	0	111.1	R93 Y152 S153 Y154	R93-V156 VanDerWaalsContact CZ-CG2 3.45Å; Y152-V156 HydrophobicContact CD1-CG2 3.86Å; Y152-V156 HydrophobicContact CE1-CG2 3.51Å; Y152-V156 HydrophobicContact CE2-CG2 4.35Å; Y152-V156 HydrophobicContact CG-CG2 4.42Å; Y152-V156 WeakPolarHBondContact O-CG2 3.21Å; Y152-V156 PolarHBondContact O-N 3.26Å; S153-V156 PolarHBondContact O-N 2.87Å; Y154-V156 VanDerWaalsContact C-N 3.29Å; Y154-V156 PolarHBondContact O-N 2.82Å
157	K	95.1	Very high	95.8	Very high	155 Å²	155	38.8 Å²	38.8	67%	0.674	20%	0.195	S	C	*	.	H	α-helix	trans	-68.7	-42.9	-178.5	-71.1	166	-178.5	170.4	0	112.5	S153 Y154 H159	S153-K157 VanDerWaalsContact O-CG 3.29Å; S153-K157 WeakPolarHBondContact O-CG 3.5Å; S153-K157 PolarHBondContact O-N 3.05Å; S153-K157 WeakPolarHBondContact OG-CE 3.42Å; Y154-K157 PolarHBondContact O-N 2.84Å; Y154-K157 VanDerWaalsContact O-N 3.14Å; K157-H159 VanDerWaalsContact C-N 3.27Å; K157-H159 PolarHBondContact O-N 3.24Å
158	G	92.9	Very high	95.9	Very high	29 Å²	29	38.8 Å²	38.8	30%	0.299	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	3.9	179	0	0	0	0	0	114.8	Y154 G160 Q161	Y154-G158 PolarHBondContact O-N 2.99Å; G158-G160 PolarHBondContact O-N 2.78Å; G158-G160 VanDerWaalsContact O-N 3.12Å; G158-Q161 WeakPolarHBondContact O-CB 3.41Å; G158-Q161 PolarHBondContact O-N 3.47Å
159	H	93.2	Very high	96	Very high	164 Å²	164	38.7 Å²	38.7	76%	0.759	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	35.3	-175.5	-61.3	-83.6	0	0	0	113.8	I155 K157 Q161	I155-H159 PolarHBondContact O-N 2.93Å; K157-H159 VanDerWaalsContact C-N 3.27Å; K157-H159 PolarHBondContact O-N 3.24Å; H159-Q161 PolarHBondContact O-N 3.26Å
160	G	90.2	Very high	96.1	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	1.3	-175.7	0	0	0	0	0	116	I155 G158 T162 H421	I155-G160 PolarHBondContact O-N 2.95Å; G158-G160 PolarHBondContact O-N 2.78Å; G158-G160 VanDerWaalsContact O-N 3.12Å; G160-T162 PolarHBondContact O-N 3.46Å; G160-H421 PolarHBondContact O-CE1 2.89Å
161	Q	92.4	Very high	96.2	Very high	96 Å²	96	30.9 Å²	30.9	45%	0.449	16%	0.158	S	C	.	.			trans	-79.9	98.3	173.1	-60.4	-65.7	-75.7	0	0	109.5	G158 H159	G158-Q161 WeakPolarHBondContact O-CB 3.41Å; G158-Q161 PolarHBondContact O-N 3.47Å; H159-Q161 PolarHBondContact O-N 3.26Å
162	T	96.3	Very high	96.2	Very high	3 Å²	3	33 Å²	33	2%	0.018	17%	0.166	C	C	.	.			trans	-156.9	152.8	-178.1	176.8	0	0	0	0	109.5	I155 G160 L164 D238 H421	I155-T162 HydrophobicContact CD1-CG2 3.65Å; G160-T162 PolarHBondContact O-N 3.46Å; T162-L164 HydrophobicContact CG2-CB 4.34Å; T162-L164 VanDerWaalsContact OG1-CB 3.27Å; T162-L164 WeakPolarHBondContact OG1-CB 3.37Å; T162-L164 VanDerWaalsContact OG1-CG 3.3Å; T162-L164 WeakPolarHBondContact OG1-CG 3.46Å; T162-L164 PolarHBondContact OG1-N 3.2Å; T162-D238 WeakPolarHBondContact CB-OD1 3.43Å; T162-D238 PolarHBondContact OG1-OD1 2.87Å; T162-D238 PolarHBondContact OG1-OD2 2.84Å; T162-H421 PolarHBondContact O-NE2 3.22Å
163	L	96.5	Very high	96.2	Very high	14 Å²	14	31.6 Å²	31.6	7%	0.073	16%	0.16	C	C	.	.	S	Bend	trans	-89.4	-7	168.2	-53	177.4	0	0	0	112	M231 T234 L235 D238 A439 I440	L163-M231 HydrophobicContact CD1-CG 4.2Å; L163-T234 HydrophobicContact CG-CG2 4.05Å; L163-L235 HydrophobicContact CD1-CB 3.96Å; L163-L235 HydrophobicContact CD1-CD1 4.2Å; L163-D238 WeakPolarHBondContact CA-OD2 3.49Å; L163-D238 VanDerWaalsContact CB-OD2 3.3Å; L163-D238 WeakPolarHBondContact CB-OD2 3.26Å; L163-D238 PolarHBondContact N-OD2 2.95Å; L163-A439 WeakPolarHBondContact O-CA 3.15Å; L163-I440 HydrophobicContact CB-CD1 4.5Å; L163-I440 HydrophobicContact CB-CG1 4.23Å; L163-I440 PolarHBondContact O-N 3.31Å
164	L	97.4	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-64	153.6	173.1	-62.1	171.8	0	0	0	111.2	Y154 T162 Q166 D238 F241 L242 Y422 I440 I443	Y154-L164 HydrophobicContact CD1-CD1 3.89Å; Y154-L164 HydrophobicContact CE1-CD1 3.62Å; T162-L164 HydrophobicContact CG2-CB 4.34Å; T162-L164 VanDerWaalsContact OG1-CB 3.27Å; T162-L164 WeakPolarHBondContact OG1-CB 3.37Å; T162-L164 VanDerWaalsContact OG1-CG 3.3Å; T162-L164 WeakPolarHBondContact OG1-CG 3.46Å; T162-L164 PolarHBondContact OG1-N 3.2Å; L164-Q166 PolarHBondContact O-N 3.47Å; L164-D238 HydrophobicContact CD1-CB 4.45Å; L164-D238 HydrophobicContact CD2-CB 4.16Å; L164-D238 HydrophobicContact CG-CB 3.97Å; L164-F241 HydrophobicContact CD1-CD1 3.52Å; L164-F241 HydrophobicContact CD1-CE1 3.93Å; L164-F241 HydrophobicContact CD1-CG 4.28Å; L164-L242 HydrophobicContact CD2-CD1 3.85Å; L164-L242 HydrophobicContact CD2-CD2 3.87Å; L164-L242 HydrophobicContact CD2-CG 3.91Å; L164-Y422 PolarHBondContact O-OH 3.37Å; L164-I440 HydrophobicContact CD2-CB 4.4Å; L164-I440 HydrophobicContact CD2-CD1 3.97Å; L164-I443 HydrophobicContact CD2-CD1 4.27Å; L164-I443 HydrophobicContact CD2-CG2 4.25Å
165	P	97	Very high	96	Very high	10 Å²	10	28.2 Å²	28.2	7%	0.065	14%	0.141	C	C	.	.			trans	-58.4	124	175.4	-21.3	32.7	0	0	0	111.1	Y151 F167 M185 I440 I443	Y151-P165 PolarHBondContact OH-O 3.18Å; P165-F167 HydrophobicContact CB-CD1 4.23Å; P165-F167 HydrophobicContact CB-CE1 3.66Å; P165-F167 HydrophobicContact CB-CZ 3.92Å; P165-F167 HydrophobicContact CG-CE1 4.35Å; P165-F167 HydrophobicContact CG-CZ 4.27Å; P165-F167 PolarHBondContact O-N 2.85Å; P165-M185 HydrophobicContact CB-SD 4.17Å; P165-I440 VanDerWaalsContact CD-O 3.23Å; P165-I440 WeakPolarHBondContact CD-O 3.23Å; P165-I440 VanDerWaalsContact CG-O 3.26Å; P165-I440 WeakPolarHBondContact CG-O 3.44Å; P165-I443 HydrophobicContact CG-CD1 4.48Å; P165-I443 HydrophobicContact CG-CG1 4.38Å
166	Q	97.4	Very high	95.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	17%	0.17	C	C	.	.			trans	-75.1	99.3	172.7	-64.7	-172.6	-5.6	0	0	110.2	F94 Y151 L164 L168 M185 R186 H421 Y422	F94-Q166 HydrophobicContact CD1-CB 4.09Å; F94-Q166 HydrophobicContact CD1-CG 3.65Å; F94-Q166 HydrophobicContact CD2-CB 3.91Å; F94-Q166 HydrophobicContact CD2-CG 4.39Å; F94-Q166 HydrophobicContact CE1-CB 4Å; F94-Q166 HydrophobicContact CE1-CG 3.52Å; F94-Q166 HydrophobicContact CE2-CB 3.79Å; F94-Q166 HydrophobicContact CE2-CG 4.27Å; F94-Q166 HydrophobicContact CG-CB 4.06Å; F94-Q166 HydrophobicContact CG-CG 4.1Å; F94-Q166 HydrophobicContact CZ-CB 3.84Å; F94-Q166 HydrophobicContact CZ-CG 3.84Å; Y151-Q166 WeakPolarHBondContact OH-CA 3.38Å; L164-Q166 PolarHBondContact O-N 3.47Å; Q166-L168 WeakPolarHBondContact O-CG 3.18Å; Q166-M185 CarbonylContact O-C 3.56Å; Q166-M185 WeakPolarHBondContact O-CA 3.42Å; Q166-M185 WeakPolarHBondContact O-CB 3.39Å; Q166-R186 HydrophobicContact CB-CB 4.07Å; Q166-R186 PolarHBondContact O-N 3.21Å; Q166-H421 PolarHBondContact NE2-CD2 2.92Å; Q166-H421 VanDerWaalsContact NE2-CD2 3.35Å; Q166-H421 PolarHBondContact NE2-CE1 3.12Å; Q166-H421 PolarHBondContact NE2-ND1 2.88Å; Q166-H421 PolarHBondContact NE2-NE2 2.94Å; Q166-H421 VanDerWaalsContact NE2-NE2 3.2Å; Q166-Y422 PolarHBondContact N-OH 2.93Å
167	F	98	Very high	95.2	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.7	-178.9	-55.6	-58.8	0	0	0	112.2	F87 M144 M147 Y151 P165 L183 M185 I443	F87-F167 HydrophobicContact CE1-CB 3.95Å; M144-F167 HydrophobicContact CE-CD2 3.59Å; M144-F167 HydrophobicContact CE-CE2 4.02Å; M144-F167 HydrophobicContact CE-CG 4.21Å; M144-F167 HydrophobicContact SD-CD2 3.92Å; M144-F167 HydrophobicContact SD-CE2 3.86Å; M144-F167 HydrophobicContact SD-CG 4.39Å; M144-F167 HydrophobicContact SD-CZ 4.29Å; M147-F167 HydrophobicContact CE-CE2 3.71Å; M147-F167 HydrophobicContact CE-CZ 4.29Å; Y151-F167 HydrophobicContact CD1-CD2 4.36Å; Y151-F167 HydrophobicContact CD2-CD2 4.41Å; Y151-F167 HydrophobicContact CD2-CE2 4.41Å; Y151-F167 HydrophobicContact CE1-CB 4.45Å; Y151-F167 AromaticContact CE1-CD2 3.8Å; Y151-F167 HydrophobicContact CE1-CD2 3.8Å; Y151-F167 AromaticContact CE2-CD2 3.83Å; Y151-F167 HydrophobicContact CE2-CD2 3.83Å; Y151-F167 AromaticContact CE2-CE2 3.97Å; Y151-F167 HydrophobicContact CE2-CE2 3.97Å; Y151-F167 AromaticContact CZ-CD2 3.48Å; Y151-F167 VanDerWaalsContact CZ-CD2 3.48Å; Y151-F167 PolarHBondContact OH-N 2.99Å; P165-F167 HydrophobicContact CB-CD1 4.23Å; P165-F167 HydrophobicContact CB-CE1 3.66Å; P165-F167 HydrophobicContact CB-CZ 3.92Å; P165-F167 HydrophobicContact CG-CE1 4.35Å; P165-F167 HydrophobicContact CG-CZ 4.27Å; P165-F167 PolarHBondContact O-N 2.85Å; F167-L183 HydrophobicContact CB-CD1 4.36Å; F167-L183 HydrophobicContact CD1-CD1 3.86Å; F167-L183 HydrophobicContact CD1-CD2 3.75Å; F167-L183 HydrophobicContact CD1-CG 3.87Å; F167-L183 HydrophobicContact CE1-CD1 4.48Å; F167-L183 HydrophobicContact CE1-CD2 3.54Å; F167-L183 HydrophobicContact CE1-CG 4.15Å; F167-L183 HydrophobicContact CG-CD1 4.28Å; F167-L183 HydrophobicContact CZ-CD2 4.31Å; F167-M185 HydrophobicContact CD1-CB 4.22Å; F167-M185 HydrophobicContact CD1-CE 4.37Å; F167-M185 HydrophobicContact CE1-CE 4.15Å; F167-I443 HydrophobicContact CE2-CD1 3.94Å; F167-I443 HydrophobicContact CZ-CD1 3.88Å; F167-I443 HydrophobicContact CZ-CG1 4Å
168	L	97.8	Very high	95.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-9.5	-167.6	-52	178.4	0	0	0	114.4	R91 F94 V96 Y101 F131 Q166 V184	R91-L168 HydrophobicContact CG-CB 4Å; R91-L168 HydrophobicContact CG-CD2 4.04Å; R91-L168 PolarHBondContact NH1-O 3.17Å; F94-L168 HydrophobicContact CB-CD2 4.46Å; F94-L168 HydrophobicContact CD2-CD2 3.64Å; F94-L168 HydrophobicContact CE2-CD2 4.36Å; F94-L168 HydrophobicContact CG-CD2 4.46Å; V96-L168 HydrophobicContact CG2-CD1 4.18Å; V96-L168 HydrophobicContact CG2-CD2 3.97Å; Y101-L168 HydrophobicContact CD2-CB 4.42Å; Y101-L168 HydrophobicContact CD2-CD1 4.27Å; Y101-L168 HydrophobicContact CE2-CB 3.66Å; Y101-L168 HydrophobicContact CE2-CD1 4.04Å; F131-L168 HydrophobicContact CD1-CD1 3.27Å; F131-L168 HydrophobicContact CE1-CD1 3.35Å; F131-L168 HydrophobicContact CG-CD1 4.35Å; F131-L168 HydrophobicContact CZ-CD1 4.46Å; Q166-L168 WeakPolarHBondContact O-CG 3.18Å; L168-V184 HydrophobicContact CB-CG1 4.32Å; L168-V184 PolarHBondContact N-O 3.32Å
169	G	98	Very high	95.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	144.1	176.9	0	0	0	0	0	112.2	V184	G169-V184 PolarHBondContact O-N 2.89Å
170	L	98.4	Very high	95.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.3	176.5	176.2	61.6	0	0	0	109.8	Y82 F87 I136 V141 M144 L183	Y82-L170 HydrophobicContact CD2-CD2 4.3Å; Y82-L170 HydrophobicContact CD2-CG 3.92Å; Y82-L170 HydrophobicContact CG-CD2 4.22Å; Y82-L170 HydrophobicContact CG-CG 4.27Å; Y82-L170 PolarHBondContact N-O 3.3Å; F87-L170 HydrophobicContact CD2-CB 4.47Å; F87-L170 HydrophobicContact CE2-CB 3.57Å; F87-L170 HydrophobicContact CZ-CB 3.62Å; I136-L170 HydrophobicContact CD1-CD1 3.96Å; V141-L170 HydrophobicContact CG1-CD2 4.42Å; V141-L170 HydrophobicContact CG2-CD1 4.37Å; M144-L170 HydrophobicContact CB-CD2 4.43Å; M144-L170 HydrophobicContact CG-CD2 4.04Å; L170-L183 HydrophobicContact CB-CD1 4.3Å; L170-L183 HydrophobicContact CD1-CB 4.27Å; L170-L183 HydrophobicContact CD1-CD1 4.17Å
171	Y	98.3	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.7	-169.7	-54.5	-68.5	0	0	0	111.5	L30 I34 F79 K80 E81 Y101 Y181 I182 V184	L30-Y171 HydrophobicContact CD1-CD2 4.25Å; I34-Y171 HydrophobicContact CD1-CE2 4.34Å; I34-Y171 HydrophobicContact CG1-CE1 4.46Å; I34-Y171 HydrophobicContact CG1-CE2 4.3Å; F79-Y171 HydrophobicContact CE1-CD1 4.36Å; F79-Y171 AromaticContact CE2-CD1 3.58Å; F79-Y171 HydrophobicContact CE2-CD1 3.58Å; F79-Y171 HydrophobicContact CE2-CE1 4.24Å; F79-Y171 HydrophobicContact CE2-CG 4.14Å; F79-Y171 AromaticContact CZ-CD1 3.33Å; F79-Y171 HydrophobicContact CZ-CD1 3.33Å; F79-Y171 AromaticContact CZ-CE1 3.65Å; F79-Y171 HydrophobicContact CZ-CE1 3.65Å; F79-Y171 HydrophobicContact CZ-CG 4.31Å; K80-Y171 CarbonylContact O-C 3.55Å; K80-Y171 WeakPolarHBondContact O-CA 3.43Å; E81-Y171 HydrophobicContact CB-CD1 3.9Å; E81-Y171 HydrophobicContact CB-CE1 3.87Å; E81-Y171 HydrophobicContact CG-CD1 3.96Å; E81-Y171 HydrophobicContact CG-CE1 3.53Å; E81-Y171 VanDerWaalsContact OE1-CE1 3.24Å; E81-Y171 WeakPolarHBondContact OE1-CE1 3.34Å; E81-Y171 PolarHBondContact OE1-OH 3.43Å; Y101-Y171 PolarHBondContact OH-OH 2.84Å; Y171-Y181 CarbonylContact O-C 3.54Å; Y171-Y181 VanDerWaalsContact O-CA 3.31Å; Y171-Y181 WeakPolarHBondContact O-CA 3.48Å; Y171-I182 PolarHBondContact N-O 3.41Å; Y171-I182 PolarHBondContact O-N 3.42Å; Y171-V184 HydrophobicContact CD2-CG2 3.99Å; Y171-V184 HydrophobicContact CE2-CB 4.45Å; Y171-V184 HydrophobicContact CE2-CG2 3.69Å
172	R	98.2	Very high	96	Very high	45 Å²	45	29.8 Å²	29.8	17%	0.17	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.1	159.2	173.6	175.5	69.7	169.1	-7.5	109.1	K80 Y82 E179 S180 Y181	K80-R172 HydrophobicContact CB-CB 4.3Å; K80-R172 PolarHBondContact N-O 3.23Å; K80-R172 PolarHBondContact O-N 3.24Å; Y82-R172 HydrophobicContact CE2-CB 3.72Å; R172-E179 VanDerWaalsContact CD-OE2 3.26Å; R172-E179 WeakPolarHBondContact CD-OE2 3.26Å; R172-E179 IonicContact CZ-OE1 3.54Å; R172-E179 IonicContact CZ-OE2 3.85Å; R172-E179 IonicContact NE-OE1 2.64Å; R172-E179 IonicContact NE-OE2 2.71Å; R172-E179 VanDerWaalsContact NH1-CD 3.34Å; R172-E179 IonicContact NH1-OE1 3.88Å; R172-E179 PolarHBondContact NH1-OE1 2.98Å; R172-E179 IonicContact NH1-OE2 3.83Å; R172-E179 PolarHBondContact NH1-OE2 3.41Å; R172-S180 WeakPolarHBondContact CA-O 3.23Å; R172-Y181 HydrophobicContact CB-CD1 3.8Å; R172-Y181 HydrophobicContact CB-CE1 4.02Å; R172-Y181 HydrophobicContact CG-CD1 4.06Å; R172-Y181 HydrophobicContact CG-CE1 3.95Å
173	L	97.4	Very high	96.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.9	172.6	-45.9	-173.7	0	0	0	108.2	L26 V29 L30 F79 E179 S180 I182	L26-L173 HydrophobicContact CD1-CB 3.91Å; L26-L173 HydrophobicContact CD1-CD1 3.63Å; L26-L173 HydrophobicContact CD1-CG 4.34Å; L26-L173 HydrophobicContact CG-CD1 4.05Å; V29-L173 HydrophobicContact CG1-CB 4.43Å; V29-L173 HydrophobicContact CG1-CD2 4.3Å; L30-L173 HydrophobicContact CB-CD1 3.86Å; L30-L173 HydrophobicContact CD1-CD1 4.31Å; F79-L173 HydrophobicContact CD2-CD2 3.42Å; F79-L173 VanDerWaalsContact CD2-CD2 3.42Å; F79-L173 HydrophobicContact CE2-CD2 3.9Å; L173-E179 CarbonylContact O-C 3.57Å; L173-E179 WeakPolarHBondContact O-CA 3.38Å; L173-S180 PolarHBondContact N-O 3.42Å; L173-S180 PolarHBondContact O-N 3.16Å; L173-I182 HydrophobicContact CD1-CD1 3.58Å; L173-I182 HydrophobicContact CD1-CG1 4.47Å; L173-I182 HydrophobicContact CG-CD1 4.28Å
174	T	96.3	Very high	96.1	Very high	5 Å²	5	29 Å²	29	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.8	167.8	-45.8	0	0	0	0	108.2	F77 K78 Q178 E179	F77-T174 CarbonylContact C-O 3.53Å; F77-T174 WeakPolarHBondContact CA-O 3.47Å; F77-T174 VanDerWaalsContact CB-O 3.29Å; F77-T174 WeakPolarHBondContact CB-O 3.48Å; K78-T174 HydrophobicContact CD-CG2 4.15Å; K78-T174 HydrophobicContact CG-CG2 4.37Å; K78-T174 PolarHBondContact N-O 3.47Å; K78-T174 PolarHBondContact O-N 2.91Å; T174-Q178 CarbonylContact C-O 3.52Å; T174-Q178 VanDerWaalsContact CA-O 3.32Å; T174-Q178 WeakPolarHBondContact CA-O 3.39Å; T174-E179 HydrophobicContact CG2-CG 4.05Å; T174-E179 PolarHBondContact OG1-OE1 2.92Å; T174-E179 VanDerWaalsContact OG1-OE1 3.05Å
175	V	92.8	Very high	96.1	Very high	10 Å²	10	30.2 Å²	30.2	6%	0.061	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.6	-177.5	178.9	0	0	0	0	108.2	P25 L26 V29 P74 F77 D177 Q178	P25-V175 HydrophobicContact CB-CG1 3.84Å; P25-V175 HydrophobicContact CG-CG1 4.07Å; L26-V175 HydrophobicContact CD1-CG2 4.33Å; V29-V175 HydrophobicContact CB-CG2 4.08Å; V29-V175 HydrophobicContact CG1-CG2 4.17Å; V29-V175 HydrophobicContact CG2-CG2 3.94Å; P74-V175 HydrophobicContact CB-CG1 4.46Å; P74-V175 HydrophobicContact CG-CG1 4.02Å; F77-V175 HydrophobicContact CB-CG2 4.42Å; V175-D177 PolarHBondContact O-N 3.48Å; V175-Q178 PolarHBondContact N-O 3.2Å; V175-Q178 PolarHBondContact O-N 2.93Å
176	N	88.2	Confident	96.1	Very high	114 Å²	114	30.2 Å²	30.2	61%	0.61	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	43	-174.5	-55.2	-22.8	0	0	0	112.1	Q178	N176-Q178 PolarHBondContact O-N 2.83Å
177	D	88.1	Confident	95.9	Very high	124 Å²	124	31.4 Å²	31.4	66%	0.663	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	8.8	-178.2	-52.1	-52.5	0	0	0	116.1	V175	V175-D177 PolarHBondContact O-N 3.48Å
178	Q	93.8	Very high	95.7	Very high	145 Å²	145	32 Å²	32	68%	0.678	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.3	166.3	-62.7	-173.4	-25	0	0	110.3	T174 V175 N176	T174-Q178 CarbonylContact C-O 3.52Å; T174-Q178 VanDerWaalsContact CA-O 3.32Å; T174-Q178 WeakPolarHBondContact CA-O 3.39Å; V175-Q178 PolarHBondContact N-O 3.2Å; V175-Q178 PolarHBondContact O-N 2.93Å; N176-Q178 PolarHBondContact O-N 2.83Å
179	E	95.7	Very high	95.4	Very high	74 Å²	74	33.5 Å²	33.5	35%	0.346	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	142.9	173.7	-52.6	-148.3	134.9	0	0	111.2	R172 L173 T174	R172-E179 VanDerWaalsContact CD-OE2 3.26Å; R172-E179 WeakPolarHBondContact CD-OE2 3.26Å; R172-E179 IonicContact CZ-OE1 3.54Å; R172-E179 IonicContact CZ-OE2 3.85Å; R172-E179 IonicContact NE-OE1 2.64Å; R172-E179 IonicContact NE-OE2 2.71Å; R172-E179 VanDerWaalsContact NH1-CD 3.34Å; R172-E179 IonicContact NH1-OE1 3.88Å; R172-E179 PolarHBondContact NH1-OE1 2.98Å; R172-E179 IonicContact NH1-OE2 3.83Å; R172-E179 PolarHBondContact NH1-OE2 3.41Å; L173-E179 CarbonylContact O-C 3.57Å; L173-E179 WeakPolarHBondContact O-CA 3.38Å; T174-E179 HydrophobicContact CG2-CG 4.05Å; T174-E179 PolarHBondContact OG1-OE1 2.92Å; T174-E179 VanDerWaalsContact OG1-OE1 3.05Å
180	S	95.6	Very high	95	Very high	32 Å²	32	33.8 Å²	33.8	22%	0.224	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	129.6	177.6	-69	0	0	0	0	109.5	R172 L173	R172-S180 WeakPolarHBondContact CA-O 3.23Å; L173-S180 PolarHBondContact N-O 3.42Å; L173-S180 PolarHBondContact O-N 3.16Å
181	Y	97.4	Very high	94.4	Very high	41 Å²	41	35 Å²	35	16%	0.161	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.5	179.9	-52	-91.8	0	0	0	109.7	T135 I136 V141 Y171 R172	T135-Y181 CarbonylContact C-O 3.55Å; T135-Y181 WeakPolarHBondContact CA-O 3.47Å; I136-Y181 PolarHBondContact N-O 3.06Å; V141-Y181 HydrophobicContact CB-CD1 4.47Å; V141-Y181 HydrophobicContact CG1-CD1 4.44Å; V141-Y181 HydrophobicContact CG2-CD1 3.57Å; V141-Y181 HydrophobicContact CG2-CD2 4.39Å; V141-Y181 HydrophobicContact CG2-CE1 4.26Å; V141-Y181 HydrophobicContact CG2-CG 3.63Å; Y171-Y181 CarbonylContact O-C 3.54Å; Y171-Y181 VanDerWaalsContact O-CA 3.31Å; Y171-Y181 WeakPolarHBondContact O-CA 3.48Å; R172-Y181 HydrophobicContact CB-CD1 3.8Å; R172-Y181 HydrophobicContact CB-CE1 4.02Å; R172-Y181 HydrophobicContact CG-CD1 4.06Å; R172-Y181 HydrophobicContact CG-CE1 3.95Å
182	I	97.2	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.3	-176	-61.1	-172.7	0	0	0	108.8	L30 A133 K134 Y171 L173 V184	L30-I182 HydrophobicContact CD1-CD1 4.32Å; L30-I182 HydrophobicContact CD2-CD1 4.08Å; A133-I182 HydrophobicContact CB-CG2 3.71Å; K134-I182 WeakPolarHBondContact O-CA 3.5Å; Y171-I182 PolarHBondContact N-O 3.41Å; Y171-I182 PolarHBondContact O-N 3.42Å; L173-I182 HydrophobicContact CD1-CD1 3.58Å; L173-I182 HydrophobicContact CD1-CG1 4.47Å; L173-I182 HydrophobicContact CG-CD1 4.28Å; I182-V184 HydrophobicContact CG2-CG2 4.29Å
183	L	97.7	Very high	93.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.5	173.7	179.7	61.9	0	0	0	108.9	K134 I136 M144 F167 L170 M185 L444	K134-L183 PolarHBondContact N-O 2.69Å; K134-L183 PolarHBondContact O-N 3.28Å; I136-L183 HydrophobicContact CD1-CB 3.93Å; I136-L183 HydrophobicContact CD1-CD2 4.32Å; I136-L183 HydrophobicContact CG1-CB 4.35Å; I136-L183 HydrophobicContact CG2-CB 4.26Å; M144-L183 HydrophobicContact SD-CD1 4.46Å; M144-L183 HydrophobicContact SD-CD2 4.48Å; F167-L183 HydrophobicContact CB-CD1 4.36Å; F167-L183 HydrophobicContact CD1-CD1 3.86Å; F167-L183 HydrophobicContact CD1-CD2 3.75Å; F167-L183 HydrophobicContact CD1-CG 3.87Å; F167-L183 HydrophobicContact CE1-CD1 4.48Å; F167-L183 HydrophobicContact CE1-CD2 3.54Å; F167-L183 HydrophobicContact CE1-CG 4.15Å; F167-L183 HydrophobicContact CG-CD1 4.28Å; F167-L183 HydrophobicContact CZ-CD2 4.31Å; L170-L183 HydrophobicContact CB-CD1 4.3Å; L170-L183 HydrophobicContact CD1-CB 4.27Å; L170-L183 HydrophobicContact CD1-CD1 4.17Å; L183-M185 HydrophobicContact CD2-CE 4.11Å; L183-M185 HydrophobicContact CG-CE 4.02Å; L183-L444 HydrophobicContact CD2-CD1 3.7Å
184	V	97.9	Very high	92.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.6	178.3	-178.1	0	0	0	0	110.1	Y101 F105 F131 V132 A133 L168 G169 Y171 I182	Y101-V184 HydrophobicContact CE2-CG1 3.83Å; Y101-V184 WeakPolarHBondContact OH-CG1 3.36Å; F105-V184 HydrophobicContact CE1-CG2 4.46Å; F105-V184 HydrophobicContact CE2-CG1 3.79Å; F105-V184 HydrophobicContact CZ-CB 4.42Å; F105-V184 HydrophobicContact CZ-CG1 3.54Å; F105-V184 HydrophobicContact CZ-CG2 3.94Å; F131-V184 HydrophobicContact CB-CG1 4.25Å; V132-V184 CarbonylContact O-C 3.59Å; V132-V184 WeakPolarHBondContact O-CA 3.38Å; A133-V184 HydrophobicContact CB-CG2 4.02Å; L168-V184 HydrophobicContact CB-CG1 4.32Å; L168-V184 PolarHBondContact N-O 3.32Å; G169-V184 PolarHBondContact O-N 2.89Å; Y171-V184 HydrophobicContact CD2-CG2 3.99Å; Y171-V184 HydrophobicContact CE2-CB 4.45Å; Y171-V184 HydrophobicContact CE2-CG2 3.69Å; I182-V184 HydrophobicContact CG2-CG2 4.29Å
185	M	97.2	Very high	92.4	Very high	26 Å²	26	40 Å²	40	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	162.8	176.6	62.7	-160.6	75.2	0	0	111.4	F131 V132 K134 P165 Q166 F167 L183	F131-M185 WeakPolarHBondContact CA-O 3.43Å; V132-M185 HydrophobicContact CB-CG 4.27Å; V132-M185 PolarHBondContact N-O 3.14Å; V132-M185 PolarHBondContact O-N 2.97Å; K134-M185 HydrophobicContact CB-CE 3.89Å; P165-M185 HydrophobicContact CB-SD 4.17Å; Q166-M185 CarbonylContact O-C 3.56Å; Q166-M185 WeakPolarHBondContact O-CA 3.42Å; Q166-M185 WeakPolarHBondContact O-CB 3.39Å; F167-M185 HydrophobicContact CD1-CB 4.22Å; F167-M185 HydrophobicContact CD1-CE 4.37Å; F167-M185 HydrophobicContact CE1-CE 4.15Å; L183-M185 HydrophobicContact CD2-CE 4.11Å; L183-M185 HydrophobicContact CG-CE 4.02Å
186	R	96.3	Very high	92	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.038	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	140.6	168.2	-171.1	-178	-67.7	-76.2	13.4	110	F94 Q166 T418 Y422	F94-R186 PolarHBondContact O-NH2 3.4Å; Q166-R186 HydrophobicContact CB-CB 4.07Å; Q166-R186 PolarHBondContact O-N 3.21Å; R186-T418 PolarHBondContact NH1-O 3.45Å; R186-T418 PolarHBondContact NH2-O 2.83Å; R186-Y422 HydrophobicContact CG-CE2 4.48Å
187	N	93.9	Very high	91.8	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.144	21%	0.214	C	C	.	.			trans	-63.1	140.8	169.9	-166.4	-3	0	0	0	110.5	R129 Q130 V132 F189	R129-N187 VanDerWaalsContact O-CB 3.26Å; R129-N187 WeakPolarHBondContact O-CB 3.43Å; R129-N187 PolarHBondContact O-ND2 2.69Å; Q130-N187 WeakPolarHBondContact O-CB 3.17Å; Q130-N187 PolarHBondContact O-N 3.12Å; V132-N187 HydrophobicContact CG2-CB 3.82Å; N187-F189 PolarHBondContact ND2-O 2.82Å; N187-F189 PolarHBondContact OD1-N 2.89Å
188	V	93.8	Very high	91.6	Very high	17 Å²	17	39.6 Å²	39.6	10%	0.103	20%	0.197	C	C	.	.	S	Bend	trans	-72.1	-37.2	175.6	173.4	0	0	0	0	110.6	L253 Y422 F437 A439 I441	V188-L253 HydrophobicContact CB-CD2 4.06Å; V188-L253 HydrophobicContact CG1-CD2 4.05Å; V188-L253 HydrophobicContact CG1-CG 4.5Å; V188-L253 HydrophobicContact CG2-CD2 4.13Å; V188-Y422 HydrophobicContact CB-CD2 4.4Å; V188-Y422 HydrophobicContact CG1-CD2 4.44Å; V188-Y422 HydrophobicContact CG1-CG 4.45Å; V188-Y422 HydrophobicContact CG2-CE2 4.36Å; V188-F437 HydrophobicContact CG1-CB 4.46Å; V188-F437 WeakPolarHBondContact O-CD1 3.3Å; V188-A439 HydrophobicContact CB-CB 4.15Å; V188-A439 HydrophobicContact CG1-CB 3.52Å; V188-A439 HydrophobicContact CG2-CB 3.53Å; V188-I441 HydrophobicContact CG2-CG2 4.46Å
189	F	92	Very high	91	Very high	31 Å²	31	33.9 Å²	33.9	14%	0.136	17%	0.169	C	C	.	.	S	Bend	trans	-90.4	148.4	-178.4	-53.3	-42.2	0	0	0	111.5	N187 I195 K198 L253 F437	N187-F189 PolarHBondContact ND2-O 2.82Å; N187-F189 PolarHBondContact OD1-N 2.89Å; F189-I195 HydrophobicContact CB-CD1 4.05Å; F189-I195 HydrophobicContact CB-CG1 3.82Å; F189-I195 HydrophobicContact CD1-CD1 3.97Å; F189-I195 HydrophobicContact CD1-CG1 3.98Å; F189-I195 HydrophobicContact CD2-CG1 4.18Å; F189-I195 HydrophobicContact CG-CD1 4.1Å; F189-I195 HydrophobicContact CG-CG1 3.72Å; F189-K198 HydrophobicContact CE2-CD 4.07Å; F189-K198 HydrophobicContact CE2-CG 4.4Å; F189-K198 HydrophobicContact CZ-CD 4.3Å; F189-K198 HydrophobicContact CZ-CG 4.15Å; F189-L253 HydrophobicContact CE1-CD2 4.21Å; F189-L253 HydrophobicContact CE1-CG 4.21Å; F189-L253 HydrophobicContact CE2-CD2 4.31Å; F189-L253 HydrophobicContact CZ-CD1 4.01Å; F189-L253 HydrophobicContact CZ-CD2 3.73Å; F189-L253 HydrophobicContact CZ-CG 3.86Å; F189-F437 HydrophobicContact CD1-CB 3.78Å; F189-F437 HydrophobicContact CD1-CG 4.25Å; F189-F437 HydrophobicContact CE1-CB 4.25Å
190	S	88.8	Confident	90.3	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.042	16%	0.163	C	C	.	.			trans	-55.7	140.6	174	176.9	0	0	0	0	111.5	R192 L193 E420 F437	S190-R192 PolarHBondContact O-N 2.79Å; S190-R192 PolarHBondContact OG-N 2.81Å; S190-L193 PolarHBondContact OG-N 2.68Å; S190-E420 VanDerWaalsContact CB-OE1 3.25Å; S190-E420 WeakPolarHBondContact CB-OE1 3.27Å; S190-E420 PolarHBondContact OG-OE1 3.36Å; S190-F437 VanDerWaalsContact CB-CZ 3.49Å
191	P	85.8	Confident	89.2	Confident	28 Å²	28	30.8 Å²	30.8	18%	0.182	15%	0.152	C	C	.	.	S	Bend	trans	-70	-14	168	30.8	-35.7	0	0	0	113.2	N128 R129 Q130 L419	N128-P191 WeakPolarHBondContact O-CB 3.3Å; R129-P191 HydrophobicContact CB-CB 4Å; Q130-P191 HydrophobicContact CG-CB 4.3Å; Q130-P191 HydrophobicContact CG-CG 4.23Å; P191-L419 HydrophobicContact CG-CB 4.39Å; P191-L419 HydrophobicContact CG-CD2 4.4Å
192	R	86.8	Confident	87.9	Confident	57 Å²	57	31.2 Å²	31.2	22%	0.215	16%	0.155	C	C	.	.	S	Bend	trans	-107.8	-24.9	-173.9	-68.7	171.7	60.1	-165.5	0.7	114.4	S190 Q409	S190-R192 PolarHBondContact O-N 2.79Å; S190-R192 PolarHBondContact OG-N 2.81Å; R192-Q409 PolarHBondContact NH2-O 3.48Å
193	L	87.9	Confident	85.9	Confident	15 Å²	15	31.6 Å²	31.6	8%	0.079	16%	0.158	C	C	.	.	S	Bend	trans	-108.3	124.4	-172.2	-57.5	180	0	0	0	111.4	S190 H257 F411 L415 E420 I435 F437	S190-L193 PolarHBondContact OG-N 2.68Å; L193-H257 HydrophobicContact CB-CB 4.36Å; L193-F411 HydrophobicContact CD1-CD2 4.12Å; L193-F411 HydrophobicContact CD1-CE2 4.06Å; L193-F411 HydrophobicContact CD2-CB 4.05Å; L193-F411 HydrophobicContact CD2-CD2 3.8Å; L193-F411 HydrophobicContact CD2-CG 4.04Å; L193-F411 HydrophobicContact CG-CD2 4.5Å; L193-L415 HydrophobicContact CD1-CD2 4.15Å; L193-E420 WeakPolarHBondContact CD1-OE1 3.12Å; L193-I435 HydrophobicContact CD1-CD1 3.89Å; L193-I435 HydrophobicContact CD1-CG2 4.45Å; L193-F437 HydrophobicContact CD1-CE2 4.49Å; L193-F437 HydrophobicContact CD1-CZ 4.1Å
194	A	86.3	Confident	83.8	Confident	54 Å²	54	36.5 Å²	36.5	45%	0.446	18%	0.179	S	C	.	.			trans	-66.1	134	176.6	0	0	0	0	0	111.1	H196 H257	A194-H196 PolarHBondContact O-CE1 2.69Å; A194-H257 WeakPolarHBondContact O-CB 3.37Å; A194-H257 PolarHBondContact O-ND1 3.26Å
195	I	87.1	Confident	81.2	Confident	28 Å²	28	40 Å²	40	14%	0.144	20%	0.202	C	C	.	.			trans	-98.6	115	179	-54.3	-61.7	0	0	0	108.7	F189 K197 K198 H257 F437	F189-I195 HydrophobicContact CB-CD1 4.05Å; F189-I195 HydrophobicContact CB-CG1 3.82Å; F189-I195 HydrophobicContact CD1-CD1 3.97Å; F189-I195 HydrophobicContact CD1-CG1 3.98Å; F189-I195 HydrophobicContact CD2-CG1 4.18Å; F189-I195 HydrophobicContact CG-CD1 4.1Å; F189-I195 HydrophobicContact CG-CG1 3.72Å; I195-K197 WeakPolarHBondContact CG2-O 3.43Å; I195-K198 HydrophobicContact CG2-CD 4.26Å; I195-K198 HydrophobicContact CG2-CG 3.51Å; I195-H257 HydrophobicContact CD1-CB 4.4Å; I195-F437 HydrophobicContact CD1-CD2 3.49Å; I195-F437 VanDerWaalsContact CD1-CD2 3.49Å; I195-F437 HydrophobicContact CD1-CE2 3.75Å; I195-F437 HydrophobicContact CD1-CG 4.38Å
196	H	84.2	Confident	78.5	Confident	64 Å²	64	45 Å²	45	30%	0.296	23%	0.228	S	C	.	.	S	Bend	trans	-92.1	-25.3	-175.5	-51.2	116.1	0	0	0	113.1	A194 V256 H257 D258	A194-H196 PolarHBondContact O-CE1 2.69Å; H196-V256 PolarHBondContact N-O 3.07Å; H196-H257 AromaticContact CE1-ND1 3.76Å; H196-D258 PolarHBondContact CE1-O 3.06Å; H196-D258 VanDerWaalsContact ND1-CB 3.34Å; H196-D258 WeakPolarHBondContact ND1-CB 3.31Å; H196-D258 PolarHBondContact ND1-N 3.23Å; H196-D258 PolarHBondContact ND1-O 3.26Å
197	K	84	Confident	75.6	Confident	108 Å²	108	48.6 Å²	48.6	47%	0.47	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.6	173.3	-48.7	-171.6	-175.7	-177.6	0	110.5	I195 Y199 G255 V256	I195-K197 WeakPolarHBondContact CG2-O 3.43Å; K197-Y199 HydrophobicContact CB-CE2 3.64Å; K197-Y199 HydrophobicContact CD-CE2 4.45Å; K197-Y199 WeakPolarHBondContact CD-OH 3.38Å; K197-G255 CarbonylContact O-C 3.45Å; K197-G255 WeakPolarHBondContact O-CA 3.43Å; K197-V256 HydrophobicContact CB-CB 4.1Å; K197-V256 HydrophobicContact CB-CG2 4.2Å; K197-V256 PolarHBondContact N-O 3.37Å; K197-V256 PolarHBondContact O-N 3.4Å
198	K	84.2	Confident	72.8	Confident	67 Å²	67	49.5 Å²	49.5	29%	0.291	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.6	-179.7	-67.3	175	-174.1	163.8	0	110.2	F189 I195 I254 D311	F189-K198 HydrophobicContact CE2-CD 4.07Å; F189-K198 HydrophobicContact CE2-CG 4.4Å; F189-K198 HydrophobicContact CZ-CD 4.3Å; F189-K198 HydrophobicContact CZ-CG 4.15Å; I195-K198 HydrophobicContact CG2-CD 4.26Å; I195-K198 HydrophobicContact CG2-CG 3.51Å; K198-I254 CarbonylContact C-O 3.56Å; K198-I254 WeakPolarHBondContact CA-O 3.41Å; K198-D311 IonicContact NZ-OD1 2.7Å; K198-D311 PolarHBondContact NZ-OD1 2.87Å; K198-D311 IonicContact NZ-OD2 3.77Å; K198-D311 PolarHBondContact NZ-OD2 2.84Å
199	Y	81.6	Confident	70.2	Confident	26 Å²	26	53.2 Å²	53.2	10%	0.102	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.1	-177.6	-54.3	-84.9	0	0	0	111.2	K197 F214 L218 L253 I254 V256	K197-Y199 HydrophobicContact CB-CE2 3.64Å; K197-Y199 HydrophobicContact CD-CE2 4.45Å; K197-Y199 WeakPolarHBondContact CD-OH 3.38Å; Y199-F214 HydrophobicContact CD1-CB 4.4Å; Y199-F214 AromaticContact CD1-CD2 3.64Å; Y199-F214 HydrophobicContact CD1-CD2 3.64Å; Y199-F214 HydrophobicContact CD1-CE2 4.4Å; Y199-F214 HydrophobicContact CD1-CG 4.47Å; Y199-F214 HydrophobicContact CD2-CD2 4.05Å; Y199-F214 AromaticContact CD2-CE2 3.99Å; Y199-F214 HydrophobicContact CD2-CE2 3.99Å; Y199-F214 HydrophobicContact CE1-CD2 4.27Å; Y199-F214 AromaticContact CG-CD2 3.49Å; Y199-F214 HydrophobicContact CG-CD2 3.49Å; Y199-F214 VanDerWaalsContact CG-CD2 3.49Å; Y199-F214 AromaticContact CG-CE2 3.86Å; Y199-F214 HydrophobicContact CG-CE2 3.86Å; Y199-L218 HydrophobicContact CD1-CD1 4.05Å; Y199-L218 HydrophobicContact CD2-CD1 4.08Å; Y199-L218 HydrophobicContact CE1-CD1 3.53Å; Y199-L218 HydrophobicContact CE2-CD1 3.58Å; Y199-L218 HydrophobicContact CE2-CD2 4.3Å; Y199-L218 HydrophobicContact CE2-CG 4.22Å; Y199-L218 HydrophobicContact CG-CD1 4.29Å; Y199-L218 WeakPolarHBondContact OH-CD1 3.33Å; Y199-L253 WeakPolarHBondContact O-CA 3.46Å; Y199-L253 WeakPolarHBondContact O-CD1 3.29Å; Y199-I254 PolarHBondContact N-O 3.02Å; Y199-I254 PolarHBondContact O-N 3.31Å; Y199-V256 HydrophobicContact CE2-CG2 4.14Å
200	D	79.9	Confident	68.3	Low	39 Å²	39	56.1 Å²	56.1	21%	0.209	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	90.5	-177.6	168.1	33.3	0	0	0	108.6	K210 S251	D200-K210 HydrophobicContact CB-CD 4.41Å; D200-K210 WeakPolarHBondContact O-CD 3.1Å; D200-K210 IonicContact OD2-NZ 2.64Å; D200-K210 PolarHBondContact OD2-NZ 3Å; D200-S251 WeakPolarHBondContact OD1-CB 3.43Å; D200-S251 PolarHBondContact OD1-OG 3.42Å
201	L	72.4	Confident	66.8	Low	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.4	-168.9	-66.6	171.3	0	0	0	111.8	F214 S251 L252 I254 F481	L201-F214 HydrophobicContact CD1-CD2 4.03Å; L201-F214 HydrophobicContact CD1-CE2 3.82Å; L201-F214 HydrophobicContact CD1-CG 4.47Å; L201-F214 HydrophobicContact CD1-CZ 4.09Å; L201-F214 HydrophobicContact CD2-CB 3.78Å; L201-F214 HydrophobicContact CD2-CD1 4.27Å; L201-F214 HydrophobicContact CD2-CD2 3.65Å; L201-F214 HydrophobicContact CD2-CE2 4.33Å; L201-F214 HydrophobicContact CD2-CG 3.62Å; L201-F214 HydrophobicContact CG-CD2 4.1Å; L201-F214 HydrophobicContact CG-CE2 4.36Å; L201-F214 HydrophobicContact CG-CG 4.49Å; L201-S251 CarbonylContact O-C 3.57Å; L201-S251 WeakPolarHBondContact O-CA 3.39Å; L201-S251 VanDerWaalsContact O-CB 3.28Å; L201-S251 WeakPolarHBondContact O-CB 3.08Å; L201-L252 HydrophobicContact CB-CB 4.36Å; L201-L252 PolarHBondContact N-O 3.16Å; L201-L252 PolarHBondContact O-N 3.46Å; L201-I254 HydrophobicContact CD1-CD1 3.56Å; L201-I254 HydrophobicContact CD1-CG1 4.2Å; L201-F481 HydrophobicContact CB-CE1 4.43Å; L201-F481 HydrophobicContact CD1-CD1 4.41Å; L201-F481 HydrophobicContact CD1-CE1 3.79Å; L201-F481 HydrophobicContact CD2-CE1 3.58Å; L201-F481 HydrophobicContact CD2-CZ 3.93Å; L201-F481 HydrophobicContact CG-CE1 4.13Å
202	K	70.9	Confident	65.1	Low	51 Å²	51	56.2 Å²	56.2	22%	0.222	29%	0.294	C	S	.	.			trans	-128.4	140.3	174.1	-67.1	-160.7	172.8	-160.5	0	111.4	K204 D211 D249 S251	K202-K204 HydrophobicContact CB-CG 4.41Å; K202-K204 PolarHBondContact O-N 3.01Å; K202-D211 PolarHBondContact N-OD1 2.62Å; K202-D249 WeakPolarHBondContact CE-O 3.4Å; K202-D249 PolarHBondContact NZ-O 3.24Å; K202-S251 WeakPolarHBondContact CE-OG 3.33Å
203	S	54.8	Low	63.8	Low	8 Å²	8	55.8 Å²	55.8	6%	0.056	30%	0.296	C	S	.	.			trans	-74.1	43.9	-176	60.3	0	0	0	0	115.5	Y474	S203-Y474 WeakPolarHBondContact OG-CD2 3.3Å; S203-Y474 WeakPolarHBondContact OG-CE2 3.5Å; S203-Y474 VanDerWaalsContact OG-CZ 3.31Å; S203-Y474 PolarHBondContact OG-O 3.1Å
204	K	54.3	Low	62.4	Low	103 Å²	103	55.2 Å²	55.2	45%	0.448	29%	0.293	S	S	.	.			trans	-71.3	148.4	-179.7	-72.1	179.9	-169.1	159.5	0	111.4	K202 L206 T208	K202-K204 HydrophobicContact CB-CG 4.41Å; K202-K204 PolarHBondContact O-N 3.01Å; K204-L206 PolarHBondContact O-N 3.36Å; K204-L206 VanDerWaalsContact O-N 3.09Å; K204-T208 HydrophobicContact CD-CG2 3.46Å; K204-T208 VanDerWaalsContact CD-CG2 3.46Å; K204-T208 PolarHBondContact NZ-OG1 3.49Å
205	P	42.8	Very low	61.1	Low	74 Å²	74	57.2 Å²	57.2	48%	0.481	30%	0.295	S	S	.	.	S	Bend	trans	-69.2	-5.7	-173.8	27.2	-35.6	0	0	0	115.5
206	L	40	Very low	59.6	Low	130 Å²	130	61.1 Å²	61.1	68%	0.681	32%	0.32	S	S	*	.	S	Bend	trans	-136.5	147.8	172.5	-69.3	168.9	0	0	0	106	K204 T208	K204-L206 PolarHBondContact O-N 3.36Å; K204-L206 VanDerWaalsContact O-N 3.09Å; L206-T208 PolarHBondContact O-N 3.04Å
207	P	36.4	Very low	58.5	Low	86 Å²	86	62.6 Å²	62.6	56%	0.558	33%	0.331	S	S	*	.			trans	-55.3	107.7	169.1	-19.9	31.6	0	0	0	108	A212	P207-A212 HydrophobicContact CB-CB 3.8Å
208	T	35.6	Very low	57.1	Low	46 Å²	46	58.9 Å²	58.9	28%	0.282	32%	0.316	S	S	.	.			trans	-73.7	155.1	160.7	52.1	0	0	0	0	107.2	K204 L206 K210 D211 A212	K204-T208 HydrophobicContact CD-CG2 3.46Å; K204-T208 VanDerWaalsContact CD-CG2 3.46Å; K204-T208 PolarHBondContact NZ-OG1 3.49Å; L206-T208 PolarHBondContact O-N 3.04Å; T208-K210 CarbonylContact O-C 3.57Å; T208-K210 PolarHBondContact O-N 3.34Å; T208-D211 WeakPolarHBondContact CB-OD2 3.46Å; T208-D211 PolarHBondContact N-OD2 2.73Å; T208-D211 WeakPolarHBondContact O-CA 3.49Å; T208-D211 PolarHBondContact O-N 2.77Å; T208-D211 PolarHBondContact OG1-OD2 3.06Å; T208-A212 PolarHBondContact O-N 3.2Å; T208-A212 VanDerWaalsContact O-N 3.07Å
209	L	37.5	Very low	55.8	Low	96 Å²	96	60.2 Å²	60.2	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-40.3	-48.4	-172.1	-72.8	158.1	0	0	0	112.4	D211 A212 D213	L209-D211 PolarHBondContact O-N 2.81Å; L209-A212 WeakPolarHBondContact O-CB 3.33Å; L209-A212 PolarHBondContact O-N 3.43Å; L209-D213 VanDerWaalsContact C-OD2 3.3Å; L209-D213 WeakPolarHBondContact O-CB 3.36Å; L209-D213 PolarHBondContact O-N 3.49Å; L209-D213 VanDerWaalsContact O-OD2 3.06Å
210	K	53.5	Low	55.4	Low	91 Å²	91	63.5 Å²	63.5	40%	0.396	35%	0.347	S	S	.	.	H	α-helix	trans	-45.7	-46.9	171.8	-60.6	-165.3	172.3	-140.6	0	116.9	D200 T208 F214	D200-K210 HydrophobicContact CB-CD 4.41Å; D200-K210 WeakPolarHBondContact O-CD 3.1Å; D200-K210 IonicContact OD2-NZ 2.64Å; D200-K210 PolarHBondContact OD2-NZ 3Å; T208-K210 CarbonylContact O-C 3.57Å; T208-K210 PolarHBondContact O-N 3.34Å; K210-F214 PolarHBondContact O-N 2.67Å
211	D	56.2	Low	55.4	Low	6 Å²	6	61.7 Å²	61.7	3%	0.032	34%	0.338	C	S	.	.	H	α-helix	trans	-83.4	-26.8	-175.5	-34.1	-70.2	0	0	0	110.4	K202 T208 L209 L215	K202-D211 PolarHBondContact N-OD1 2.62Å; T208-D211 WeakPolarHBondContact CB-OD2 3.46Å; T208-D211 PolarHBondContact N-OD2 2.73Å; T208-D211 WeakPolarHBondContact O-CA 3.49Å; T208-D211 PolarHBondContact O-N 2.77Å; T208-D211 PolarHBondContact OG1-OD2 3.06Å; L209-D211 PolarHBondContact O-N 2.81Å; D211-L215 PolarHBondContact O-N 3.22Å
212	A	51.8	Low	56	Low	31 Å²	31	63.9 Å²	63.9	26%	0.256	35%	0.348	S	S	.	.	H	α-helix	trans	-72.1	-49.6	172	0	0	0	0	0	111.3	P207 T208 L209 F214 L215 T216	P207-A212 HydrophobicContact CB-CB 3.8Å; T208-A212 PolarHBondContact O-N 3.2Å; T208-A212 VanDerWaalsContact O-N 3.07Å; L209-A212 WeakPolarHBondContact O-CB 3.33Å; L209-A212 PolarHBondContact O-N 3.43Å; A212-F214 PolarHBondContact O-N 2.99Å; A212-L215 PolarHBondContact O-N 3.26Å; A212-T216 PolarHBondContact O-N 3.07Å; A212-T216 PolarHBondContact O-OG1 2.87Å
213	D	58.8	Low	56.8	Low	48 Å²	48	61.7 Å²	61.7	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-54.2	-39.7	176.1	-58.5	-24.5	0	0	0	110.2	L209 T216 D217	L209-D213 VanDerWaalsContact C-OD2 3.3Å; L209-D213 WeakPolarHBondContact O-CB 3.36Å; L209-D213 PolarHBondContact O-N 3.49Å; L209-D213 VanDerWaalsContact O-OD2 3.06Å; D213-T216 WeakPolarHBondContact CA-OG1 3.45Å; D213-T216 PolarHBondContact O-N 3.35Å; D213-T216 PolarHBondContact O-OG1 3.46Å; D213-D217 VanDerWaalsContact O-CB 3.24Å; D213-D217 WeakPolarHBondContact O-CB 3.47Å; D213-D217 PolarHBondContact O-N 2.84Å
214	F	58.2	Low	58.5	Low	3 Å²	3	62.3 Å²	62.3	1%	0.013	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-51.9	173.4	-169.8	-83.4	0	0	0	112.3	Y199 L201 K210 A212 T216 D217 L218 I254 F481 C485	Y199-F214 HydrophobicContact CD1-CB 4.4Å; Y199-F214 AromaticContact CD1-CD2 3.64Å; Y199-F214 HydrophobicContact CD1-CD2 3.64Å; Y199-F214 HydrophobicContact CD1-CE2 4.4Å; Y199-F214 HydrophobicContact CD1-CG 4.47Å; Y199-F214 HydrophobicContact CD2-CD2 4.05Å; Y199-F214 AromaticContact CD2-CE2 3.99Å; Y199-F214 HydrophobicContact CD2-CE2 3.99Å; Y199-F214 HydrophobicContact CE1-CD2 4.27Å; Y199-F214 AromaticContact CG-CD2 3.49Å; Y199-F214 HydrophobicContact CG-CD2 3.49Å; Y199-F214 VanDerWaalsContact CG-CD2 3.49Å; Y199-F214 AromaticContact CG-CE2 3.86Å; Y199-F214 HydrophobicContact CG-CE2 3.86Å; L201-F214 HydrophobicContact CD1-CD2 4.03Å; L201-F214 HydrophobicContact CD1-CE2 3.82Å; L201-F214 HydrophobicContact CD1-CG 4.47Å; L201-F214 HydrophobicContact CD1-CZ 4.09Å; L201-F214 HydrophobicContact CD2-CB 3.78Å; L201-F214 HydrophobicContact CD2-CD1 4.27Å; L201-F214 HydrophobicContact CD2-CD2 3.65Å; L201-F214 HydrophobicContact CD2-CE2 4.33Å; L201-F214 HydrophobicContact CD2-CG 3.62Å; L201-F214 HydrophobicContact CG-CD2 4.1Å; L201-F214 HydrophobicContact CG-CE2 4.36Å; L201-F214 HydrophobicContact CG-CG 4.49Å; K210-F214 PolarHBondContact O-N 2.67Å; A212-F214 PolarHBondContact O-N 2.99Å; F214-T216 VanDerWaalsContact C-N 3.28Å; F214-T216 PolarHBondContact O-N 3.04Å; F214-D217 PolarHBondContact O-N 3.18Å; F214-L218 HydrophobicContact CB-CD1 4.19Å; F214-L218 HydrophobicContact CD1-CD1 3.85Å; F214-L218 HydrophobicContact CD2-CD1 3.25Å; F214-L218 HydrophobicContact CD2-CG 4.44Å; F214-L218 HydrophobicContact CE1-CB 4.25Å; F214-L218 HydrophobicContact CE1-CD1 3.92Å; F214-L218 HydrophobicContact CE1-CD2 4.17Å; F214-L218 HydrophobicContact CE1-CG 4.34Å; F214-L218 HydrophobicContact CE2-CD1 3.37Å; F214-L218 HydrophobicContact CE2-CD2 3.77Å; F214-L218 HydrophobicContact CE2-CG 4.16Å; F214-L218 HydrophobicContact CG-CD1 3.51Å; F214-L218 HydrophobicContact CZ-CB 4.48Å; F214-L218 HydrophobicContact CZ-CD1 3.71Å; F214-L218 HydrophobicContact CZ-CD2 3.57Å; F214-L218 HydrophobicContact CZ-CG 4.11Å; F214-L218 WeakPolarHBondContact O-CB 3.39Å; F214-L218 WeakPolarHBondContact O-CD1 3.34Å; F214-L218 PolarHBondContact O-N 3.07Å; F214-I254 HydrophobicContact CE2-CD1 3.86Å; F214-I254 HydrophobicContact CZ-CD1 3.91Å; F214-F481 HydrophobicContact CD1-CE1 4.44Å; F214-F481 HydrophobicContact CD1-CZ 4.3Å; F214-C485 HydrophobicContact CE1-CB 3.76Å; F214-C485 WeakPolarHBondContact CE1-SG 3.37Å; F214-C485 HydrophobicContact CZ-CB 4.31Å
215	L	59.1	Low	60.2	Low	95 Å²	95	65.3 Å²	65.3	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-69.6	-22.2	-178.4	-69.2	174	0	0	0	113.4	D211 A212 F481	D211-L215 PolarHBondContact O-N 3.22Å; A212-L215 PolarHBondContact O-N 3.26Å; L215-F481 HydrophobicContact CD1-CE2 4.08Å; L215-F481 HydrophobicContact CD2-CE2 4.36Å; L215-F481 HydrophobicContact CD2-CZ 4.4Å; L215-F481 HydrophobicContact CG-CE2 4.25Å; L215-F481 HydrophobicContact CG-CZ 4.32Å
216	T	56.1	Low	62.6	Low	110 Å²	110	69.8 Å²	69.8	68%	0.675	38%	0.376	S	S	*	.	H	α-helix	trans	-87.4	-35.3	174.3	50.7	0	0	0	0	113.6	A212 D213 F214	A212-T216 PolarHBondContact O-N 3.07Å; A212-T216 PolarHBondContact O-OG1 2.87Å; D213-T216 WeakPolarHBondContact CA-OG1 3.45Å; D213-T216 PolarHBondContact O-N 3.35Å; D213-T216 PolarHBondContact O-OG1 3.46Å; F214-T216 VanDerWaalsContact C-N 3.28Å; F214-T216 PolarHBondContact O-N 3.04Å
217	D	60	Low	65	Low	95 Å²	95	66.1 Å²	66.1	51%	0.508	36%	0.362	S	S	.	.	H	α-helix	trans	-95.1	-18.6	-174.9	-71.3	-4.2	0	0	0	114	D213 F214	D213-D217 VanDerWaalsContact O-CB 3.24Å; D213-D217 WeakPolarHBondContact O-CB 3.47Å; D213-D217 PolarHBondContact O-N 2.84Å; F214-D217 PolarHBondContact O-N 3.18Å
218	L	55.3	Low	67.7	Low	30 Å²	30	64.1 Å²	64.1	16%	0.157	34%	0.344	C	S	.	.			trans	-95.6	105.1	174.2	-74.7	100.2	0	0	0	112.8	Y199 F214 K220 M221	Y199-L218 HydrophobicContact CD1-CD1 4.05Å; Y199-L218 HydrophobicContact CD2-CD1 4.08Å; Y199-L218 HydrophobicContact CE1-CD1 3.53Å; Y199-L218 HydrophobicContact CE2-CD1 3.58Å; Y199-L218 HydrophobicContact CE2-CD2 4.3Å; Y199-L218 HydrophobicContact CE2-CG 4.22Å; Y199-L218 HydrophobicContact CG-CD1 4.29Å; Y199-L218 WeakPolarHBondContact OH-CD1 3.33Å; F214-L218 HydrophobicContact CB-CD1 4.19Å; F214-L218 HydrophobicContact CD1-CD1 3.85Å; F214-L218 HydrophobicContact CD2-CD1 3.25Å; F214-L218 HydrophobicContact CD2-CG 4.44Å; F214-L218 HydrophobicContact CE1-CB 4.25Å; F214-L218 HydrophobicContact CE1-CD1 3.92Å; F214-L218 HydrophobicContact CE1-CD2 4.17Å; F214-L218 HydrophobicContact CE1-CG 4.34Å; F214-L218 HydrophobicContact CE2-CD1 3.37Å; F214-L218 HydrophobicContact CE2-CD2 3.77Å; F214-L218 HydrophobicContact CE2-CG 4.16Å; F214-L218 HydrophobicContact CG-CD1 3.51Å; F214-L218 HydrophobicContact CZ-CB 4.48Å; F214-L218 HydrophobicContact CZ-CD1 3.71Å; F214-L218 HydrophobicContact CZ-CD2 3.57Å; F214-L218 HydrophobicContact CZ-CG 4.11Å; F214-L218 WeakPolarHBondContact O-CB 3.39Å; F214-L218 WeakPolarHBondContact O-CD1 3.34Å; F214-L218 PolarHBondContact O-N 3.07Å; L218-K220 PolarHBondContact O-N 2.67Å; L218-M221 HydrophobicContact CD2-CG 4.37Å
219	C	57	Low	70.5	Confident	96 Å²	96	69.2 Å²	69.2	65%	0.649	36%	0.362	S	S	*	.				-36.3	122.3	127.9	-151.5	0	0	0	0	109.2
220	K	72	Confident	73.2	Confident	94 Å²	94	70.3 Å²	70.3	41%	0.409	36%	0.363	S	S	.	.			trans	-47.1	151.1	-174.6	-74.8	88.9	145.1	-77.1	0	111.6	L218 H222 D487	L218-K220 PolarHBondContact O-N 2.67Å; K220-H222 PolarHBondContact O-CE1 3.2Å; K220-H222 PolarHBondContact O-N 3.15Å; K220-H222 PolarHBondContact O-ND1 3.27Å; K220-D487 HydrophobicContact CB-CB 3.78Å; K220-D487 WeakPolarHBondContact CB-OD2 3.48Å; K220-D487 VanDerWaalsContact CD-OD2 3.3Å; K220-D487 WeakPolarHBondContact CD-OD2 3.34Å; K220-D487 HydrophobicContact CG-CB 4.39Å; K220-D487 WeakPolarHBondContact CG-OD1 3.41Å; K220-D487 WeakPolarHBondContact CG-OD2 3.46Å; K220-D487 IonicContact NZ-OD1 2.69Å; K220-D487 PolarHBondContact NZ-OD1 3.49Å; K220-D487 IonicContact NZ-OD2 2.69Å; K220-D487 PolarHBondContact NZ-OD2 3.21Å
221	M	81.2	Confident	75.1	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-66.8	97.5	174.4	-63.8	176.7	76.5	0	0	109.2	L218 I223 I254 Y436 V438 C485 I486 D487	L218-M221 HydrophobicContact CD2-CG 4.37Å; M221-I223 HydrophobicContact CB-CD1 4.03Å; M221-I223 HydrophobicContact CB-CG1 4.26Å; M221-I223 HydrophobicContact CE-CD1 3.84Å; M221-I223 PolarHBondContact O-N 3.35Å; M221-I254 HydrophobicContact CE-CD1 4.35Å; M221-I254 HydrophobicContact CE-CG2 4.19Å; M221-I254 HydrophobicContact SD-CD1 3.81Å; M221-Y436 HydrophobicContact CB-CE1 4.38Å; M221-Y436 HydrophobicContact CE-CD1 3.7Å; M221-Y436 HydrophobicContact CE-CD2 4.31Å; M221-Y436 HydrophobicContact CE-CE1 4.43Å; M221-Y436 HydrophobicContact CE-CG 3.63Å; M221-Y436 HydrophobicContact CG-CD1 4.31Å; M221-Y436 HydrophobicContact CG-CE1 4.15Å; M221-V438 HydrophobicContact CE-CG2 3.73Å; M221-C485 PolarHBondContact N-O 3.36Å; M221-I486 HydrophobicContact CB-CG1 4.33Å; M221-I486 WeakPolarHBondContact O-CA 3.08Å; M221-I486 VanDerWaalsContact O-CG2 3.29Å; M221-I486 WeakPolarHBondContact O-CG2 3.47Å; M221-I486 HydrophobicContact SD-CG1 4.46Å; M221-D487 PolarHBondContact O-N 3.14Å; M221-D487 VanDerWaalsContact O-N 3.1Å
222	H	84.8	Confident	76.9	Confident	47 Å²	47	67.1 Å²	67.1	22%	0.218	35%	0.35	C	S	.	.			trans	-72.9	93.2	178.8	-66.7	78.4	0	0	0	108.9	K220 S426 S427 Y436	K220-H222 PolarHBondContact O-CE1 3.2Å; K220-H222 PolarHBondContact O-N 3.15Å; K220-H222 PolarHBondContact O-ND1 3.27Å; H222-S426 CarbonylContact O-C 3.56Å; H222-S426 WeakPolarHBondContact O-CA 3.24Å; H222-S426 WeakPolarHBondContact O-CB 3.32Å; H222-S427 PolarHBondContact O-N 2.91Å; H222-Y436 PolarHBondContact N-OH 3.22Å
223	I	88	Confident	78.9	Confident	4 Å²	4	68 Å²	68	2%	0.021	35%	0.354	C	S	.	.			trans	-122.6	126.7	-175.8	-65.5	173.4	0	0	0	108.4	M221 S227 K228 M231 I424 Y436 I486 D487	M221-I223 HydrophobicContact CB-CD1 4.03Å; M221-I223 HydrophobicContact CB-CG1 4.26Å; M221-I223 HydrophobicContact CE-CD1 3.84Å; M221-I223 PolarHBondContact O-N 3.35Å; I223-S227 VanDerWaalsContact CG2-CB 3.46Å; I223-K228 HydrophobicContact CG2-CB 4.33Å; I223-M231 HydrophobicContact CD1-CE 3.93Å; I223-I424 HydrophobicContact CD1-CG2 4.11Å; I223-I424 HydrophobicContact CG1-CG2 4.28Å; I223-I424 HydrophobicContact CG2-CG2 3.81Å; I223-Y436 HydrophobicContact CD1-CD2 4.11Å; I223-Y436 HydrophobicContact CG1-CD2 3.93Å; I223-Y436 HydrophobicContact CG1-CE2 3.95Å; I223-I486 HydrophobicContact CB-CG2 4.08Å; I223-I486 HydrophobicContact CD1-CG2 4.36Å; I223-I486 HydrophobicContact CG1-CG2 4.49Å; I223-D487 PolarHBondContact N-O 3.42Å
224	G	89.1	Confident	80.7	Confident	21 Å²	21	67 Å²	67	22%	0.216	35%	0.35	C	S	.	.			trans	-55.2	143.7	-179.4	0	0	0	0	0	112.9	E226 S227 K228	G224-E226 VanDerWaalsContact C-N 3.28Å; G224-E226 PolarHBondContact O-N 3.25Å; G224-E226 VanDerWaalsContact O-N 3.08Å; G224-S227 WeakPolarHBondContact O-CA 3.48Å; G224-S227 WeakPolarHBondContact O-CB 3.36Å; G224-S227 PolarHBondContact O-N 3.04Å; G224-K228 PolarHBondContact O-N 3.17Å
225	E	91.3	Very high	82.5	Confident	167 Å²	167	66.9 Å²	66.9	78%	0.78	35%	0.349	S	S	*	.	H	α-helix	trans	-49.8	-42.1	-167.8	-168.6	-172.1	161.9	0	0	114	S227 K228 K229	E225-S227 PolarHBondContact O-N 3.31Å; E225-K228 PolarHBondContact O-N 3.12Å; E225-K229 VanDerWaalsContact O-CB 3.3Å; E225-K229 WeakPolarHBondContact O-CB 3.33Å; E225-K229 PolarHBondContact O-N 2.88Å
226	E	92.3	Very high	84.2	Confident	168 Å²	168	67.1 Å²	67.1	79%	0.785	35%	0.348	S	S	*	.	H	α-helix	trans	-61.6	-44.1	176.7	-174.4	-177.9	-175.3	0	0	112.3	G224 K230	G224-E226 VanDerWaalsContact C-N 3.28Å; G224-E226 PolarHBondContact O-N 3.25Å; G224-E226 VanDerWaalsContact O-N 3.08Å; E226-K230 WeakPolarHBondContact O-CB 3.43Å; E226-K230 PolarHBondContact O-N 3.42Å
227	S	91.8	Very high	86.1	Confident	53 Å²	53	65 Å²	65	37%	0.371	34%	0.337	S	S	.	.	H	α-helix	trans	-71.1	-37.7	178.2	-69.8	0	0	0	0	111.7	I223 G224 E225 K230 M231	I223-S227 VanDerWaalsContact CG2-CB 3.46Å; G224-S227 WeakPolarHBondContact O-CA 3.48Å; G224-S227 WeakPolarHBondContact O-CB 3.36Å; G224-S227 PolarHBondContact O-N 3.04Å; E225-S227 PolarHBondContact O-N 3.31Å; S227-K230 PolarHBondContact O-N 2.96Å; S227-M231 VanDerWaalsContact O-CB 3.3Å; S227-M231 WeakPolarHBondContact O-CB 3.47Å; S227-M231 PolarHBondContact O-N 2.66Å
228	K	92.2	Very high	87.9	Confident	44 Å²	44	60.5 Å²	60.5	19%	0.191	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-50.8	172.3	178.2	170.9	-173.6	166.1	0	110.7	I223 G224 E225 K230 M231 L232 I486 D487	I223-K228 HydrophobicContact CG2-CB 4.33Å; G224-K228 PolarHBondContact O-N 3.17Å; E225-K228 PolarHBondContact O-N 3.12Å; K228-K230 PolarHBondContact O-N 3.31Å; K228-M231 PolarHBondContact O-N 3.32Å; K228-L232 HydrophobicContact CG-CD1 4.04Å; K228-L232 WeakPolarHBondContact O-CB 3.02Å; K228-L232 WeakPolarHBondContact O-CG 3.46Å; K228-L232 PolarHBondContact O-N 3.29Å; K228-I486 HydrophobicContact CB-CG2 4.35Å; K228-I486 HydrophobicContact CD-CB 4.39Å; K228-I486 HydrophobicContact CD-CG2 3.62Å; K228-I486 HydrophobicContact CG-CG2 3.84Å; K228-I486 PolarHBondContact NZ-O 3.47Å; K228-D487 PolarHBondContact NZ-OXT 3.32Å
229	K	93.8	Very high	89.7	Confident	153 Å²	153	59.3 Å²	59.3	67%	0.665	31%	0.307	S	S	*	.	H	α-helix	trans	-61.7	-43.1	177.3	-174.5	175.6	-177.6	175	0	112.8	E225 S233	E225-K229 VanDerWaalsContact O-CB 3.3Å; E225-K229 WeakPolarHBondContact O-CB 3.33Å; E225-K229 PolarHBondContact O-N 2.88Å; K229-S233 WeakPolarHBondContact O-CB 3.44Å; K229-S233 PolarHBondContact O-N 3.2Å; K229-S233 PolarHBondContact O-OG 3.01Å
230	K	93.9	Very high	91.5	Very high	118 Å²	118	59.8 Å²	59.8	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-43.9	175.6	-174.1	-176.2	175.8	-169.9	0	111.7	E226 S227 K228 S233 T234	E226-K230 WeakPolarHBondContact O-CB 3.43Å; E226-K230 PolarHBondContact O-N 3.42Å; S227-K230 PolarHBondContact O-N 2.96Å; K228-K230 PolarHBondContact O-N 3.31Å; K230-S233 PolarHBondContact O-OG 2.85Å; K230-T234 WeakPolarHBondContact O-CB 3.34Å; K230-T234 PolarHBondContact O-N 2.89Å; K230-T234 VanDerWaalsContact O-N 3.08Å; K230-T234 PolarHBondContact O-OG1 2.93Å
231	M	93.5	Very high	92.6	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-47.8	179.1	-174.7	177.4	60.9	0	0	111.7	L163 I223 S227 K228 T234 L235 I424 V438 I486	L163-M231 HydrophobicContact CD1-CG 4.2Å; I223-M231 HydrophobicContact CD1-CE 3.93Å; S227-M231 VanDerWaalsContact O-CB 3.3Å; S227-M231 WeakPolarHBondContact O-CB 3.47Å; S227-M231 PolarHBondContact O-N 2.66Å; K228-M231 PolarHBondContact O-N 3.32Å; M231-T234 PolarHBondContact O-N 3.31Å; M231-L235 VanDerWaalsContact O-CB 3.3Å; M231-L235 WeakPolarHBondContact O-CB 3.39Å; M231-L235 PolarHBondContact O-N 2.91Å; M231-I424 HydrophobicContact CB-CD1 4.1Å; M231-I424 HydrophobicContact CG-CD1 3.93Å; M231-I424 HydrophobicContact SD-CD1 3.34Å; M231-I424 WeakPolarHBondContact SD-CD1 3.25Å; M231-V438 HydrophobicContact SD-CB 4.25Å; M231-V438 HydrophobicContact SD-CG1 4.05Å; M231-V438 HydrophobicContact SD-CG2 4.15Å; M231-I486 HydrophobicContact CE-CD1 3.25Å; M231-I486 HydrophobicContact CE-CG1 3.93Å
232	L	94.1	Very high	93.3	Very high	22 Å²	22	55.6 Å²	55.6	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-46.3	179.6	-70.8	173.4	0	0	0	111.8	K228 T234 L235 E236 L479 V482 E483 I486	K228-L232 HydrophobicContact CG-CD1 4.04Å; K228-L232 WeakPolarHBondContact O-CB 3.02Å; K228-L232 WeakPolarHBondContact O-CG 3.46Å; K228-L232 PolarHBondContact O-N 3.29Å; L232-T234 VanDerWaalsContact C-N 3.31Å; L232-T234 PolarHBondContact O-N 3.1Å; L232-L235 WeakPolarHBondContact O-CB 3.43Å; L232-L235 PolarHBondContact O-N 2.86Å; L232-E236 WeakPolarHBondContact O-CG 3.4Å; L232-E236 PolarHBondContact O-N 3.08Å; L232-L479 HydrophobicContact CD2-CD1 4.25Å; L232-V482 HydrophobicContact CD2-CG1 4.35Å; L232-E483 HydrophobicContact CD2-CB 4.45Å; L232-I486 HydrophobicContact CD2-CD1 4.12Å; L232-I486 HydrophobicContact CG-CD1 4.49Å
233	S	95.3	Very high	93.7	Very high	50 Å²	50	55.4 Å²	55.4	35%	0.35	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-32.5	176.8	52.8	0	0	0	0	113.6	K229 K230 C237	K229-S233 WeakPolarHBondContact O-CB 3.44Å; K229-S233 PolarHBondContact O-N 3.2Å; K229-S233 PolarHBondContact O-OG 3.01Å; K230-S233 PolarHBondContact O-OG 2.85Å; S233-C237 PolarHBondContact O-N 2.83Å; S233-C237 PolarHBondContact O-SG 2.74Å
234	T	95.9	Very high	93.8	Very high	25 Å²	25	61.1 Å²	61.1	15%	0.153	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-45.4	172.6	-52.8	0	0	0	0	110.4	L163 K230 M231 L232 E236 C237 D238	L163-T234 HydrophobicContact CG-CG2 4.05Å; K230-T234 WeakPolarHBondContact O-CB 3.34Å; K230-T234 PolarHBondContact O-N 2.89Å; K230-T234 VanDerWaalsContact O-N 3.08Å; K230-T234 PolarHBondContact O-OG1 2.93Å; M231-T234 PolarHBondContact O-N 3.31Å; L232-T234 VanDerWaalsContact C-N 3.31Å; L232-T234 PolarHBondContact O-N 3.1Å; T234-E236 PolarHBondContact O-N 2.76Å; T234-C237 PolarHBondContact O-N 3.2Å; T234-D238 WeakPolarHBondContact O-CB 3.31Å; T234-D238 PolarHBondContact O-N 2.95Å
235	L	95.1	Very high	93.9	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-38.7	178.5	-178.5	59	0	0	0	112.4	L163 M231 L232 D238 I239 L252 I440 L479 V482	L163-L235 HydrophobicContact CD1-CB 3.96Å; L163-L235 HydrophobicContact CD1-CD1 4.2Å; M231-L235 VanDerWaalsContact O-CB 3.3Å; M231-L235 WeakPolarHBondContact O-CB 3.39Å; M231-L235 PolarHBondContact O-N 2.91Å; L232-L235 WeakPolarHBondContact O-CB 3.43Å; L232-L235 PolarHBondContact O-N 2.86Å; L235-D238 PolarHBondContact O-N 2.88Å; L235-I239 HydrophobicContact CD1-CD1 3.73Å; L235-I239 HydrophobicContact CD1-CG1 4.05Å; L235-I239 HydrophobicContact CG-CD1 3.76Å; L235-I239 HydrophobicContact CG-CG1 4.44Å; L235-I239 VanDerWaalsContact O-CB 3.24Å; L235-I239 WeakPolarHBondContact O-CB 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.13Å; L235-I239 PolarHBondContact O-N 3.07Å; L235-L252 HydrophobicContact CD1-CD1 4.46Å; L235-I440 HydrophobicContact CD1-CD1 3.85Å; L235-I440 HydrophobicContact CD1-CG1 4.21Å; L235-L479 HydrophobicContact CD2-CD1 4Å; L235-L479 HydrophobicContact CG-CD1 4.09Å; L235-V482 HydrophobicContact CD2-CB 3.94Å; L235-V482 HydrophobicContact CD2-CG1 3.67Å; L235-V482 HydrophobicContact CD2-CG2 4.1Å
236	E	95.5	Very high	93.9	Very high	101 Å²	101	56.5 Å²	56.5	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-58.7	-50.1	172.1	-78.5	171.7	-179.8	0	0	111.8	L232 T234 D238 I239 Q240 L479	L232-E236 WeakPolarHBondContact O-CG 3.4Å; L232-E236 PolarHBondContact O-N 3.08Å; T234-E236 PolarHBondContact O-N 2.76Å; E236-D238 PolarHBondContact O-N 3.47Å; E236-I239 PolarHBondContact O-N 2.88Å; E236-Q240 WeakPolarHBondContact O-CB 3.49Å; E236-Q240 PolarHBondContact O-N 2.76Å; E236-L479 HydrophobicContact CG-CD1 3.87Å; E236-L479 HydrophobicContact CG-CD2 3.63Å; E236-L479 HydrophobicContact CG-CG 4.42Å
237	C	96.2	Very high	93.9	Very high	65 Å²	65	48.5 Å²	48.5	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-42.6	178.3	-65.5	0	0	0	0	111.8	Y154 S233 T234 Q240 F241	Y154-C237 VanDerWaalsContact OH-CB 3.3Å; Y154-C237 WeakPolarHBondContact OH-CB 3.26Å; Y154-C237 PolarHBondContact OH-O 3.36Å; S233-C237 PolarHBondContact O-N 2.83Å; S233-C237 PolarHBondContact O-SG 2.74Å; T234-C237 PolarHBondContact O-N 3.2Å; C237-Q240 PolarHBondContact O-N 3.12Å; C237-F241 PolarHBondContact O-N 2.82Å
238	D	97	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-42.9	178.9	-69.4	-25	0	0	0	111.4	Y154 T162 L163 L164 T234 L235 E236 F241 L242 I440	Y154-D238 VanDerWaalsContact CE1-OD1 3.27Å; Y154-D238 WeakPolarHBondContact CE1-OD1 3.38Å; Y154-D238 VanDerWaalsContact CZ-OD1 3.31Å; Y154-D238 WeakPolarHBondContact OH-CA 3.25Å; Y154-D238 PolarHBondContact OH-N 2.95Å; Y154-D238 VanDerWaalsContact OH-N 3.12Å; Y154-D238 PolarHBondContact OH-OD1 2.84Å; T162-D238 WeakPolarHBondContact CB-OD1 3.43Å; T162-D238 PolarHBondContact OG1-OD1 2.87Å; T162-D238 PolarHBondContact OG1-OD2 2.84Å; L163-D238 WeakPolarHBondContact CA-OD2 3.49Å; L163-D238 VanDerWaalsContact CB-OD2 3.3Å; L163-D238 WeakPolarHBondContact CB-OD2 3.26Å; L163-D238 PolarHBondContact N-OD2 2.95Å; L164-D238 HydrophobicContact CD1-CB 4.45Å; L164-D238 HydrophobicContact CD2-CB 4.16Å; L164-D238 HydrophobicContact CG-CB 3.97Å; T234-D238 WeakPolarHBondContact O-CB 3.31Å; T234-D238 PolarHBondContact O-N 2.95Å; L235-D238 PolarHBondContact O-N 2.88Å; E236-D238 PolarHBondContact O-N 3.47Å; D238-F241 WeakPolarHBondContact O-CB 3.13Å; D238-F241 PolarHBondContact O-N 3.19Å; D238-L242 VanDerWaalsContact O-CG 3.27Å; D238-L242 WeakPolarHBondContact O-CG 3.47Å; D238-L242 PolarHBondContact O-N 2.8Å; D238-I440 HydrophobicContact CB-CD1 3.69Å
239	I	94.7	Very high	93.4	Very high	6 Å²	6	47 Å²	47	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-40.5	175.6	-75.6	170.8	0	0	0	110.9	L235 E236 L242 Q243 L478 L479	L235-I239 HydrophobicContact CD1-CD1 3.73Å; L235-I239 HydrophobicContact CD1-CG1 4.05Å; L235-I239 HydrophobicContact CG-CD1 3.76Å; L235-I239 HydrophobicContact CG-CG1 4.44Å; L235-I239 VanDerWaalsContact O-CB 3.24Å; L235-I239 WeakPolarHBondContact O-CB 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.13Å; L235-I239 PolarHBondContact O-N 3.07Å; E236-I239 PolarHBondContact O-N 2.88Å; I239-L242 PolarHBondContact O-N 2.56Å; I239-Q243 HydrophobicContact CG2-CG 4.39Å; I239-Q243 VanDerWaalsContact CG2-NE2 3.27Å; I239-Q243 VanDerWaalsContact O-CG 3.25Å; I239-Q243 WeakPolarHBondContact O-CG 3.47Å; I239-Q243 PolarHBondContact O-N 3.33Å; I239-L478 HydrophobicContact CD1-CB 4.43Å; I239-L478 HydrophobicContact CD1-CD2 4.44Å; I239-L479 HydrophobicContact CD1-CB 3.99Å
240	Q	94.6	Very high	93.3	Very high	106 Å²	106	39.8 Å²	39.8	50%	0.495	20%	0.203	S	C	.	.	H	α-helix	trans	-60	-47.2	174.4	-177.6	-178.2	-21.6	0	0	111	E236 C237 L242 Q243 E244	E236-Q240 WeakPolarHBondContact O-CB 3.49Å; E236-Q240 PolarHBondContact O-N 2.76Å; C237-Q240 PolarHBondContact O-N 3.12Å; Q240-L242 VanDerWaalsContact C-N 3.31Å; Q240-L242 PolarHBondContact O-N 3.04Å; Q240-Q243 WeakPolarHBondContact O-CB 3.45Å; Q240-Q243 PolarHBondContact O-N 2.8Å; Q240-Q243 VanDerWaalsContact O-N 3.13Å; Q240-E244 HydrophobicContact CG-CG 4.47Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.34Å; Q240-E244 PolarHBondContact NE2-OE1 2.99Å; Q240-E244 WeakPolarHBondContact O-CG 3.47Å; Q240-E244 PolarHBondContact O-N 2.85Å
241	F	95.2	Very high	93.1	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-43.5	175.3	168.5	-93.4	0	0	0	112.3	E150 Y151 Y154 L164 C237 D238 E244 N245	E150-F241 HydrophobicContact CB-CE2 4.11Å; Y151-F241 HydrophobicContact CD2-CE1 4.33Å; Y151-F241 HydrophobicContact CD2-CZ 4.17Å; Y154-F241 HydrophobicContact CD1-CD2 4.29Å; Y154-F241 HydrophobicContact CD1-CG 4.23Å; Y154-F241 HydrophobicContact CD2-CB 3.98Å; Y154-F241 AromaticContact CD2-CD2 3.92Å; Y154-F241 HydrophobicContact CD2-CD2 3.92Å; Y154-F241 HydrophobicContact CD2-CG 4.15Å; Y154-F241 HydrophobicContact CE2-CB 3.92Å; Y154-F241 HydrophobicContact CE2-CG 4.5Å; Y154-F241 HydrophobicContact CG-CB 4.32Å; Y154-F241 AromaticContact CG-CD2 3.71Å; Y154-F241 HydrophobicContact CG-CD2 3.71Å; Y154-F241 HydrophobicContact CG-CE2 4.28Å; Y154-F241 HydrophobicContact CG-CG 4.02Å; L164-F241 HydrophobicContact CD1-CD1 3.52Å; L164-F241 HydrophobicContact CD1-CE1 3.93Å; L164-F241 HydrophobicContact CD1-CG 4.28Å; C237-F241 PolarHBondContact O-N 2.82Å; D238-F241 WeakPolarHBondContact O-CB 3.13Å; D238-F241 PolarHBondContact O-N 3.19Å; F241-E244 PolarHBondContact O-N 2.89Å; F241-N245 WeakPolarHBondContact CD2-ND2 3.19Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.4Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.47Å; F241-N245 PolarHBondContact O-N 3.16Å; F241-N245 VanDerWaalsContact O-N 3.12Å; F241-N245 PolarHBondContact O-ND2 3Å
242	L	94.8	Very high	92.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-37.7	177.3	-66.5	170.6	0	0	0	112.2	L164 D238 I239 Q240 N246 L247 Y250 I440 I443	L164-L242 HydrophobicContact CD2-CD1 3.85Å; L164-L242 HydrophobicContact CD2-CD2 3.87Å; L164-L242 HydrophobicContact CD2-CG 3.91Å; D238-L242 VanDerWaalsContact O-CG 3.27Å; D238-L242 WeakPolarHBondContact O-CG 3.47Å; D238-L242 PolarHBondContact O-N 2.8Å; I239-L242 PolarHBondContact O-N 2.56Å; Q240-L242 VanDerWaalsContact C-N 3.31Å; Q240-L242 PolarHBondContact O-N 3.04Å; L242-N246 PolarHBondContact O-N 3.46Å; L242-L247 HydrophobicContact CB-CB 4.39Å; L242-L247 HydrophobicContact CD2-CB 4.1Å; L242-L247 HydrophobicContact CD2-CD1 3.67Å; L242-L247 PolarHBondContact O-N 3.16Å; L242-Y250 HydrophobicContact CB-CD1 4.46Å; L242-Y250 HydrophobicContact CB-CE1 3.81Å; L242-Y250 HydrophobicContact CD1-CD1 3.85Å; L242-Y250 HydrophobicContact CD1-CD2 3.92Å; L242-Y250 HydrophobicContact CD1-CE1 3.71Å; L242-Y250 HydrophobicContact CD1-CE2 3.79Å; L242-Y250 HydrophobicContact CD1-CG 3.95Å; L242-Y250 HydrophobicContact CG-CE1 4.27Å; L242-I440 HydrophobicContact CD1-CD1 4.11Å; L242-I440 HydrophobicContact CD1-CG2 4.07Å; L242-I443 HydrophobicContact CD1-CG2 4.31Å; L242-I443 HydrophobicContact CD2-CB 3.75Å; L242-I443 HydrophobicContact CD2-CD1 4.24Å; L242-I443 HydrophobicContact CD2-CG2 3.78Å
243	Q	92.3	Very high	92.8	Very high	43 Å²	43	34.1 Å²	34.1	20%	0.201	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-48.1	176	-71.9	173.8	13.2	0	0	111.9	I239 Q240 N245 N246 P471	I239-Q243 HydrophobicContact CG2-CG 4.39Å; I239-Q243 VanDerWaalsContact CG2-NE2 3.27Å; I239-Q243 VanDerWaalsContact O-CG 3.25Å; I239-Q243 WeakPolarHBondContact O-CG 3.47Å; I239-Q243 PolarHBondContact O-N 3.33Å; Q240-Q243 WeakPolarHBondContact O-CB 3.45Å; Q240-Q243 PolarHBondContact O-N 2.8Å; Q240-Q243 VanDerWaalsContact O-N 3.13Å; Q243-N245 VanDerWaalsContact C-N 3.27Å; Q243-N245 PolarHBondContact O-N 3.1Å; Q243-N246 WeakPolarHBondContact O-CA 3.47Å; Q243-N246 PolarHBondContact O-N 3.16Å; Q243-P471 HydrophobicContact CG-CB 4.41Å
244	E	91.8	Very high	92.6	Very high	124 Å²	124	31.9 Å²	31.9	58%	0.579	16%	0.163	S	C	*	.	H	α-helix	trans	-57.7	-40.9	177.4	-71.4	174.6	-173.8	0	0	111.4	Q240 F241 N246	Q240-E244 HydrophobicContact CG-CG 4.47Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.34Å; Q240-E244 PolarHBondContact NE2-OE1 2.99Å; Q240-E244 WeakPolarHBondContact O-CG 3.47Å; Q240-E244 PolarHBondContact O-N 2.85Å; F241-E244 PolarHBondContact O-N 2.89Å; E244-N246 PolarHBondContact O-N 2.79Å; E244-N246 PolarHBondContact O-ND2 3.03Å; E244-N246 VanDerWaalsContact O-ND2 3.09Å
245	N	91.4	Very high	92.3	Very high	22 Å²	22	30.7 Å²	30.7	12%	0.118	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.2	175.9	-74.2	-88.6	0	0	0	114.4	F241 Q243 L247	F241-N245 WeakPolarHBondContact CD2-ND2 3.19Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.4Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.47Å; F241-N245 PolarHBondContact O-N 3.16Å; F241-N245 VanDerWaalsContact O-N 3.12Å; F241-N245 PolarHBondContact O-ND2 3Å; Q243-N245 VanDerWaalsContact C-N 3.27Å; Q243-N245 PolarHBondContact O-N 3.1Å; N245-L247 VanDerWaalsContact C-N 3.27Å; N245-L247 HydrophobicContact CB-CD1 3.69Å; N245-L247 HydrophobicContact CB-CG 3.76Å; N245-L247 PolarHBondContact O-N 2.93Å
246	N	90.9	Very high	92	Very high	69 Å²	69	31.1 Å²	31.1	37%	0.369	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	36.3	-178	-67	-110.2	0	0	0	113.3	L242 Q243 E244 Y447 P471	L242-N246 PolarHBondContact O-N 3.46Å; Q243-N246 WeakPolarHBondContact O-CA 3.47Å; Q243-N246 PolarHBondContact O-N 3.16Å; E244-N246 PolarHBondContact O-N 2.79Å; E244-N246 PolarHBondContact O-ND2 3.03Å; E244-N246 VanDerWaalsContact O-ND2 3.09Å; N246-Y447 VanDerWaalsContact O-CB 3.31Å; N246-Y447 WeakPolarHBondContact O-CB 3.26Å; N246-Y447 PolarHBondContact O-N 2.56Å; N246-P471 HydrophobicContact CB-CG 4.49Å
247	L	91.6	Very high	91.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-92.7	141.2	179.9	-57.2	171.9	0	0	0	110	Q143 M147 L242 N245 Y250 I443 R446	Q143-L247 HydrophobicContact CG-CD2 4.15Å; M147-L247 HydrophobicContact SD-CD1 3.76Å; M147-L247 HydrophobicContact SD-CD2 4.45Å; L242-L247 HydrophobicContact CB-CB 4.39Å; L242-L247 HydrophobicContact CD2-CB 4.1Å; L242-L247 HydrophobicContact CD2-CD1 3.67Å; L242-L247 PolarHBondContact O-N 3.16Å; N245-L247 VanDerWaalsContact C-N 3.27Å; N245-L247 HydrophobicContact CB-CD1 3.69Å; N245-L247 HydrophobicContact CB-CG 3.76Å; N245-L247 PolarHBondContact O-N 2.93Å; L247-Y250 WeakPolarHBondContact O-CE1 3.38Å; L247-I443 WeakPolarHBondContact CD1-O 3.33Å; L247-I443 WeakPolarHBondContact CD2-O 3.44Å; L247-R446 HydrophobicContact CD2-CB 4.3Å
248	I	88.5	Confident	91.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.124	C	C	.	.			trans	-146.9	-177.1	177	63.6	158.3	0	0	0	111.5	Y250 T445 Y447 K451 P471 Y474	I248-Y250 PolarHBondContact O-N 3.23Å; I248-Y250 VanDerWaalsContact O-N 3.15Å; I248-T445 PolarHBondContact N-O 2.96Å; I248-T445 WeakPolarHBondContact O-CB 3.38Å; I248-Y447 HydrophobicContact CD1-CD2 3.62Å; I248-Y447 HydrophobicContact CD1-CE2 4.26Å; I248-Y447 HydrophobicContact CG1-CD2 4.27Å; I248-K451 HydrophobicContact CD1-CD 3.67Å; I248-K451 HydrophobicContact CG1-CD 4.09Å; I248-P471 HydrophobicContact CG2-CB 3.86Å; I248-P471 HydrophobicContact CG2-CG 3.8Å; I248-Y474 HydrophobicContact CB-CD1 4.34Å; I248-Y474 HydrophobicContact CB-CG 4.3Å; I248-Y474 HydrophobicContact CG2-CG 4.33Å
249	D	85.4	Confident	91	Very high	65 Å²	65	26.7 Å²	26.7	35%	0.348	14%	0.136	S	C	.	.	S	Bend	trans	62	7.7	-176.5	-65.7	15.1	0	0	0	115.2	K202 K451 Y474	K202-D249 WeakPolarHBondContact CE-O 3.4Å; K202-D249 PolarHBondContact NZ-O 3.24Å; D249-K451 IonicContact OD1-NZ 2.6Å; D249-K451 PolarHBondContact OD1-NZ 3.27Å; D249-K451 VanDerWaalsContact OD1-NZ 3.14Å; D249-K451 IonicContact OD2-NZ 2.71Å; D249-K451 PolarHBondContact OD2-NZ 2.81Å; D249-Y474 WeakPolarHBondContact CA-OH 3.06Å
250	Y	91.6	Very high	90.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-65.4	145.5	171.4	51.8	-97.9	0	0	0	111.8	L242 L247 I248 I440 I441 Y474 G475 L478	L242-Y250 HydrophobicContact CB-CD1 4.46Å; L242-Y250 HydrophobicContact CB-CE1 3.81Å; L242-Y250 HydrophobicContact CD1-CD1 3.85Å; L242-Y250 HydrophobicContact CD1-CD2 3.92Å; L242-Y250 HydrophobicContact CD1-CE1 3.71Å; L242-Y250 HydrophobicContact CD1-CE2 3.79Å; L242-Y250 HydrophobicContact CD1-CG 3.95Å; L242-Y250 HydrophobicContact CG-CE1 4.27Å; L247-Y250 WeakPolarHBondContact O-CE1 3.38Å; I248-Y250 PolarHBondContact O-N 3.23Å; I248-Y250 VanDerWaalsContact O-N 3.15Å; Y250-I440 HydrophobicContact CD2-CG2 3.93Å; Y250-I440 HydrophobicContact CG-CG2 4.21Å; Y250-I441 VanDerWaalsContact CA-O 3.24Å; Y250-I441 WeakPolarHBondContact CA-O 3.36Å; Y250-I441 VanDerWaalsContact CB-O 3.3Å; Y250-I441 WeakPolarHBondContact CB-O 3.31Å; Y250-Y474 HydrophobicContact CD1-CD1 4.28Å; Y250-Y474 HydrophobicContact CD1-CE1 4.01Å; Y250-Y474 HydrophobicContact CD2-CD1 4.47Å; Y250-Y474 AromaticContact CD2-CE1 3.88Å; Y250-Y474 HydrophobicContact CD2-CE1 3.88Å; Y250-Y474 AromaticContact CE1-CD1 3.75Å; Y250-Y474 HydrophobicContact CE1-CD1 3.75Å; Y250-Y474 AromaticContact CE1-CE1 3.93Å; Y250-Y474 HydrophobicContact CE1-CE1 3.93Å; Y250-Y474 AromaticContact CE2-CD1 3.96Å; Y250-Y474 HydrophobicContact CE2-CD1 3.96Å; Y250-Y474 AromaticContact CE2-CE1 3.79Å; Y250-Y474 HydrophobicContact CE2-CE1 3.79Å; Y250-Y474 AromaticContact CG-CE1 4Å; Y250-Y474 HydrophobicContact CG-CE1 4Å; Y250-Y474 AromaticContact CZ-CD1 3.58Å; Y250-Y474 AromaticContact CZ-CE1 3.83Å; Y250-Y474 PolarHBondContact O-OH 3.45Å; Y250-G475 VanDerWaalsContact OH-CA 3.23Å; Y250-G475 WeakPolarHBondContact OH-CA 3.08Å; Y250-L478 HydrophobicContact CD2-CD2 3.89Å; Y250-L478 HydrophobicContact CE2-CD2 3.65Å
251	S	89	Confident	90.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	164.2	174	-39.3	0	0	0	0	111.9	D200 L201 K202 I440 I441	D200-S251 WeakPolarHBondContact OD1-CB 3.43Å; D200-S251 PolarHBondContact OD1-OG 3.42Å; L201-S251 CarbonylContact O-C 3.57Å; L201-S251 WeakPolarHBondContact O-CA 3.39Å; L201-S251 VanDerWaalsContact O-CB 3.28Å; L201-S251 WeakPolarHBondContact O-CB 3.08Å; K202-S251 WeakPolarHBondContact CE-OG 3.33Å; S251-I440 CarbonylContact O-C 3.59Å; S251-I440 VanDerWaalsContact O-CA 3.29Å; S251-I440 WeakPolarHBondContact O-CA 3.44Å; S251-I440 WeakPolarHBondContact O-CG2 3.48Å; S251-I441 PolarHBondContact N-O 2.89Å; S251-I441 PolarHBondContact O-N 3.34Å
252	L	90.9	Very high	89.8	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.7	151.3	-162.2	74.4	0	0	0	109.4	L201 L235 I254 V438 I440 L478 V482	L201-L252 HydrophobicContact CB-CB 4.36Å; L201-L252 PolarHBondContact N-O 3.16Å; L201-L252 PolarHBondContact O-N 3.46Å; L235-L252 HydrophobicContact CD1-CD1 4.46Å; L252-I254 HydrophobicContact CD2-CD1 4.07Å; L252-I254 HydrophobicContact CD2-CG1 4.18Å; L252-I254 HydrophobicContact CG-CG1 4.32Å; L252-V438 HydrophobicContact CD1-CG1 3.81Å; L252-V438 HydrophobicContact CD2-CG1 3.8Å; L252-V438 HydrophobicContact CG-CG1 3.95Å; L252-I440 HydrophobicContact CD1-CG1 3.93Å; L252-L478 HydrophobicContact CB-CD1 4.28Å; L252-V482 HydrophobicContact CD2-CG1 4.33Å; L252-V482 HydrophobicContact CD2-CG2 3.49Å; L252-V482 VanDerWaalsContact CD2-CG2 3.49Å
253	L	91	Very high	89.3	Confident	29 Å²	29	35.6 Å²	35.6	15%	0.152	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.1	171.3	-178.5	63.3	0	0	0	108.5	V188 F189 Y199 V438 A439 I441	V188-L253 HydrophobicContact CB-CD2 4.06Å; V188-L253 HydrophobicContact CG1-CD2 4.05Å; V188-L253 HydrophobicContact CG1-CG 4.5Å; V188-L253 HydrophobicContact CG2-CD2 4.13Å; F189-L253 HydrophobicContact CE1-CD2 4.21Å; F189-L253 HydrophobicContact CE1-CG 4.21Å; F189-L253 HydrophobicContact CE2-CD2 4.31Å; F189-L253 HydrophobicContact CZ-CD1 4.01Å; F189-L253 HydrophobicContact CZ-CD2 3.73Å; F189-L253 HydrophobicContact CZ-CG 3.86Å; Y199-L253 WeakPolarHBondContact O-CA 3.46Å; Y199-L253 WeakPolarHBondContact O-CD1 3.29Å; L253-V438 WeakPolarHBondContact O-CA 3.25Å; L253-A439 PolarHBondContact N-O 2.95Å; L253-A439 PolarHBondContact O-N 3.33Å; L253-I441 HydrophobicContact CB-CD1 4.02Å; L253-I441 HydrophobicContact CB-CG1 4.14Å; L253-I441 HydrophobicContact CB-CG2 3.88Å; L253-I441 HydrophobicContact CD2-CG2 4.05Å
254	I	90.2	Very high	89.1	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.8	174.7	-57.2	-175.6	0	0	0	109	K198 Y199 L201 F214 M221 L252 F437 V438	K198-I254 CarbonylContact C-O 3.56Å; K198-I254 WeakPolarHBondContact CA-O 3.41Å; Y199-I254 PolarHBondContact N-O 3.02Å; Y199-I254 PolarHBondContact O-N 3.31Å; L201-I254 HydrophobicContact CD1-CD1 3.56Å; L201-I254 HydrophobicContact CD1-CG1 4.2Å; F214-I254 HydrophobicContact CE2-CD1 3.86Å; F214-I254 HydrophobicContact CZ-CD1 3.91Å; M221-I254 HydrophobicContact CE-CD1 4.35Å; M221-I254 HydrophobicContact CE-CG2 4.19Å; M221-I254 HydrophobicContact SD-CD1 3.81Å; L252-I254 HydrophobicContact CD2-CD1 4.07Å; L252-I254 HydrophobicContact CD2-CG1 4.18Å; L252-I254 HydrophobicContact CG-CG1 4.32Å; I254-F437 CarbonylContact C-O 3.56Å; I254-F437 VanDerWaalsContact CA-O 3.3Å; I254-F437 WeakPolarHBondContact CA-O 3.48Å; I254-V438 HydrophobicContact CG1-CG2 4.43Å
255	G	90	Very high	88.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.5	167	0	0	0	0	0	110.5	K197 Y436 F437	K197-G255 CarbonylContact O-C 3.45Å; K197-G255 WeakPolarHBondContact O-CA 3.43Å; G255-Y436 CarbonylContact O-C 3.51Å; G255-Y436 WeakPolarHBondContact O-CA 3.3Å; G255-F437 PolarHBondContact N-O 3.29Å; G255-F437 PolarHBondContact O-N 2.85Å
256	V	90	Very high	88	Confident	10 Å²	10	34 Å²	34	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	119	174	-169.4	0	0	0	0	108.8	H196 K197 Y199 L434 Y436	H196-V256 PolarHBondContact N-O 3.07Å; K197-V256 HydrophobicContact CB-CB 4.1Å; K197-V256 HydrophobicContact CB-CG2 4.2Å; K197-V256 PolarHBondContact N-O 3.37Å; K197-V256 PolarHBondContact O-N 3.4Å; Y199-V256 HydrophobicContact CE2-CG2 4.14Å; V256-L434 HydrophobicContact CG1-CB 4.45Å; V256-L434 HydrophobicContact CG1-CD1 4.13Å; V256-L434 HydrophobicContact CG1-CD2 4.25Å; V256-Y436 HydrophobicContact CG1-CD1 4.4Å; V256-Y436 HydrophobicContact CG1-CE1 4.35Å; V256-Y436 HydrophobicContact CG2-CD1 4.2Å; V256-Y436 HydrophobicContact CG2-CE1 4.5Å
257	H	90	Very high	87.5	Confident	5 Å²	5	36.4 Å²	36.4	2%	0.023	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	140.9	163.7	169.8	77.5	0	0	0	109.4	L193 A194 I195 H196 I435 F437	L193-H257 HydrophobicContact CB-CB 4.36Å; A194-H257 WeakPolarHBondContact O-CB 3.37Å; A194-H257 PolarHBondContact O-ND1 3.26Å; I195-H257 HydrophobicContact CD1-CB 4.4Å; H196-H257 AromaticContact CE1-ND1 3.76Å; H257-I435 HydrophobicContact CB-CB 4.18Å; H257-I435 PolarHBondContact N-O 2.8Å; H257-I435 PolarHBondContact O-N 3.02Å; H257-F437 HydrophobicContact CB-CE2 4.2Å
258	D	89.7	Confident	86.9	Confident	31 Å²	31	43.6 Å²	43.6	17%	0.166	24%	0.243	C	C	.	.			trans	-125.5	106.3	-178.4	-175.7	-43.1	0	0	0	107	H196 E260 I261 A262 L434	H196-D258 PolarHBondContact CE1-O 3.06Å; H196-D258 VanDerWaalsContact ND1-CB 3.34Å; H196-D258 WeakPolarHBondContact ND1-CB 3.31Å; H196-D258 PolarHBondContact ND1-N 3.23Å; H196-D258 PolarHBondContact ND1-O 3.26Å; D258-E260 PolarHBondContact O-N 3.06Å; D258-E260 WeakPolarHBondContact OD1-CB 3.39Å; D258-E260 PolarHBondContact OD1-N 2.84Å; D258-I261 HydrophobicContact CB-CB 4.14Å; D258-I261 HydrophobicContact CB-CD1 3.96Å; D258-I261 HydrophobicContact CB-CG1 4.13Å; D258-I261 PolarHBondContact O-N 3.19Å; D258-I261 PolarHBondContact OD1-N 2.89Å; D258-I261 VanDerWaalsContact OD1-N 3.1Å; D258-I261 WeakPolarHBondContact OD2-CD1 3.41Å; D258-A262 WeakPolarHBondContact O-CB 3.3Å; D258-A262 PolarHBondContact O-N 3.2Å; D258-L434 HydrophobicContact CB-CD2 3.82Å
259	P	87.5	Confident	86.1	Confident	38 Å²	38	49.6 Å²	49.6	25%	0.247	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-29	-177.3	-23.1	34.4	0	0	0	113.8	L263 P433	P259-L263 VanDerWaalsContact O-CB 3.3Å; P259-L263 WeakPolarHBondContact O-CB 3.32Å; P259-L263 PolarHBondContact O-N 3.36Å; P259-P433 WeakPolarHBondContact CD-O 3.49Å
260	E	86.2	Confident	85.2	Confident	107 Å²	107	50.1 Å²	50.1	50%	0.5	29%	0.288	S	S	.	.	H	α-helix	trans	-72.4	-46.3	-178.8	-62	-178.8	-175.1	0	0	110.1	D258 L263 A264	D258-E260 PolarHBondContact O-N 3.06Å; D258-E260 WeakPolarHBondContact OD1-CB 3.39Å; D258-E260 PolarHBondContact OD1-N 2.84Å; E260-L263 PolarHBondContact O-N 3.05Å; E260-A264 PolarHBondContact O-N 3.09Å
261	I	86.5	Confident	83.6	Confident	79 Å²	79	52.9 Å²	52.9	41%	0.405	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-44.4	174.9	-62.5	176.3	0	0	0	110.8	D258 L263 A264 S265	D258-I261 HydrophobicContact CB-CB 4.14Å; D258-I261 HydrophobicContact CB-CD1 3.96Å; D258-I261 HydrophobicContact CB-CG1 4.13Å; D258-I261 PolarHBondContact O-N 3.19Å; D258-I261 PolarHBondContact OD1-N 2.89Å; D258-I261 VanDerWaalsContact OD1-N 3.1Å; D258-I261 WeakPolarHBondContact OD2-CD1 3.41Å; I261-L263 VanDerWaalsContact C-N 3.33Å; I261-L263 PolarHBondContact O-N 2.72Å; I261-A264 PolarHBondContact O-N 2.96Å; I261-S265 PolarHBondContact O-N 3.5Å; I261-S265 PolarHBondContact O-OG 3.12Å
262	A	85.9	Confident	82.1	Confident	20 Å²	20	60.1 Å²	60.1	17%	0.165	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-38	179	0	0	0	0	0	112.8	D258 S266	D258-A262 WeakPolarHBondContact O-CB 3.3Å; D258-A262 PolarHBondContact O-N 3.2Å; A262-S266 WeakPolarHBondContact O-CB 3.38Å; A262-S266 PolarHBondContact O-N 3.2Å; A262-S266 VanDerWaalsContact O-N 3.1Å; A262-S266 PolarHBondContact O-OG 3.12Å
263	L	85.8	Confident	80.4	Confident	101 Å²	101	67.7 Å²	67.7	53%	0.529	40%	0.396	S	S	.	.	H	α-helix	trans	-67.4	-42.5	176.1	-179.1	61.2	0	0	0	111.5	P259 E260 I261 S266 L267	P259-L263 VanDerWaalsContact O-CB 3.3Å; P259-L263 WeakPolarHBondContact O-CB 3.32Å; P259-L263 PolarHBondContact O-N 3.36Å; E260-L263 PolarHBondContact O-N 3.05Å; I261-L263 VanDerWaalsContact C-N 3.33Å; I261-L263 PolarHBondContact O-N 2.72Å; L263-S266 PolarHBondContact O-N 3.32Å; L263-L267 HydrophobicContact CG-CD1 4.36Å; L263-L267 WeakPolarHBondContact O-CG 3.34Å; L263-L267 PolarHBondContact O-N 3.23Å
264	A	86.6	Confident	78.1	Confident	47 Å²	47	69.3 Å²	69.3	39%	0.388	42%	0.42	S	S	.	.	H	α-helix	trans	-59.1	-50.1	175.8	0	0	0	0	0	111.5	E260 I261 S266 L267 E268	E260-A264 PolarHBondContact O-N 3.09Å; I261-A264 PolarHBondContact O-N 2.96Å; A264-S266 VanDerWaalsContact C-N 3.28Å; A264-S266 PolarHBondContact O-N 3Å; A264-L267 PolarHBondContact O-N 3.31Å; A264-L267 VanDerWaalsContact O-N 3.08Å; A264-E268 PolarHBondContact O-N 2.77Å
265	S	81.7	Confident	75.9	Confident	41 Å²	41	78.5 Å²	78.5	29%	0.287	46%	0.463	S	S	.	.	H	α-helix	trans	-58.8	-38.8	176.7	-55.7	0	0	0	0	112.8	I261 L267 E268 D269	I261-S265 PolarHBondContact O-N 3.5Å; I261-S265 PolarHBondContact O-OG 3.12Å; S265-L267 PolarHBondContact O-N 3.02Å; S265-E268 PolarHBondContact O-N 2.82Å; S265-D269 PolarHBondContact O-N 2.85Å
266	S	78.6	Confident	73.2	Confident	67 Å²	67	82.3 Å²	82.3	47%	0.469	50%	0.502	S	S	.	.	H	α-helix	trans	-67.4	-22.6	178.7	-56.4	0	0	0	0	113.8	A262 L263 A264	A262-S266 WeakPolarHBondContact O-CB 3.38Å; A262-S266 PolarHBondContact O-N 3.2Å; A262-S266 VanDerWaalsContact O-N 3.1Å; A262-S266 PolarHBondContact O-OG 3.12Å; L263-S266 PolarHBondContact O-N 3.32Å; A264-S266 VanDerWaalsContact C-N 3.28Å; A264-S266 PolarHBondContact O-N 3Å
267	L	81	Confident	71	Confident	120 Å²	120	88.3 Å²	88.3	63%	0.628	54%	0.538	S	S	*	.	H	α-helix	trans	-85.8	-31	176.6	-70.1	167.1	0	0	0	112.1	L263 A264 S265	L263-L267 HydrophobicContact CG-CD1 4.36Å; L263-L267 WeakPolarHBondContact O-CG 3.34Å; L263-L267 PolarHBondContact O-N 3.23Å; A264-L267 PolarHBondContact O-N 3.31Å; A264-L267 VanDerWaalsContact O-N 3.08Å; S265-L267 PolarHBondContact O-N 3.02Å
268	E	78.1	Confident	68.5	Low	150 Å²	150	92.2 Å²	92.2	70%	0.701	58%	0.581	S	S	*	*	H	α-helix	trans	-69.5	-46.7	176	-69.3	178.6	179.5	0	0	111.4	A264 S265 A270 G271	A264-E268 PolarHBondContact O-N 2.77Å; S265-E268 PolarHBondContact O-N 2.82Å; E268-A270 PolarHBondContact O-N 2.84Å; E268-G271 PolarHBondContact O-N 2.94Å; E268-G271 VanDerWaalsContact O-N 3.12Å
269	D	72.6	Confident	66	Low	128 Å²	128	94.5 Å²	94.5	68%	0.684	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-62.4	-27.4	179	-76.9	-24.3	0	0	0	113	S265 G271	S265-D269 PolarHBondContact O-N 2.85Å; D269-G271 VanDerWaalsContact C-N 3.29Å; D269-G271 PolarHBondContact O-N 3.04Å
270	A	67.1	Low	63.8	Low	75 Å²	75	97.6 Å²	97.6	62%	0.62	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-81	-3.5	179.1	0	0	0	0	0	114.3	E268	E268-A270 PolarHBondContact O-N 2.84Å
271	G	57.5	Low	61.4	Low	59 Å²	59	98.2 Å²	98.2	61%	0.608	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-93.8	-17.1	-173.2	0	0	0	0	0	116.4	E268 D269	E268-G271 PolarHBondContact O-N 2.94Å; E268-G271 VanDerWaalsContact O-N 3.12Å; D269-G271 VanDerWaalsContact C-N 3.29Å; D269-G271 PolarHBondContact O-N 3.04Å
272	D	56.7	Low	59.3	Low	151 Å²	151	101.2 Å²	101.2	81%	0.807	68%	0.678	S	S	*	*	S	Bend	trans	-87.9	-10.3	-167.2	-155.2	35	0	0	0	114.2	G274	D272-G274 VanDerWaalsContact C-N 3.25Å; D272-G274 PolarHBondContact O-N 3.44Å; D272-G274 VanDerWaalsContact O-N 3.11Å
273	D	55.8	Low	57	Low	161 Å²	161	104 Å²	104	86%	0.861	71%	0.708	S	S	*	*	S	Bend	trans	-80.8	15.7	-171.7	-71.4	-27	0	0	0	115.1
274	G	43.5	Very low	54.5	Low	63 Å²	63	103 Å²	103	65%	0.649	72%	0.723	S	S	*	*			trans	-136.7	0	-147.7	0	0	0	0	0	122.4	D272	D272-G274 VanDerWaalsContact C-N 3.25Å; D272-G274 PolarHBondContact O-N 3.44Å; D272-G274 VanDerWaalsContact O-N 3.11Å
275	E	43.4	Very low	52.3	Low	196 Å²	196	107 Å²	107	92%	0.916	75%	0.746	S	S	*	*			trans	-130.1	94.1	177	-92.9	-165.9	140.5	0	0	114.6
276	G	34.1	Very low	50.3	Low	80 Å²	80	111.9 Å²	111.9	83%	0.825	77%	0.774	S	S	*	*			trans	-131.4	51	-179.6	0	0	0	0	0	114.2
277	T	43.5	Very low	48.3	Very low	135 Å²	135	112.4 Å²	112.4	83%	0.828	79%	0.79	S	S	*	*			trans	-135.7	116.1	179.5	42.6	0	0	0	0	113
278	G	37.3	Very low	46.4	Very low	88 Å²	88	111.7 Å²	111.7	91%	0.907	80%	0.801	S	S	*	*			trans	-76.2	-175.9	-171.1	0	0	0	0	0	117.9
279	G	37.6	Very low	44.5	Very low	78 Å²	78	108 Å²	108	80%	0.804	80%	0.804	S	S	*	*			trans	171.7	107.2	175.1	0	0	0	0	0	113.5
280	A	39.7	Very low	43.1	Very low	104 Å²	104	109 Å²	109	86%	0.86	81%	0.814	S	S	*	*			trans	-36.8	140.2	-178.1	0	0	0	0	0	118.7
281	S	37.1	Very low	41.7	Very low	120 Å²	120	109.1 Å²	109.1	84%	0.839	82%	0.822	S	S	*	*			trans	-90	146.4	166.9	175.3	0	0	0	0	112
282	V	42.9	Very low	40.7	Very low	141 Å²	141	110.3 Å²	110.3	86%	0.855	84%	0.835	S	S	*	*			trans	-136	134.2	171.4	178.5	0	0	0	0	110.1
283	G	37.4	Very low	39.7	Very low	78 Å²	78	106.9 Å²	106.9	80%	0.804	84%	0.835	S	S	*	*			trans	94	113.2	160.9	0	0	0	0	0	115.5
284	G	33.1	Very low	38.6	Very low	81 Å²	81	103.4 Å²	103.4	84%	0.835	84%	0.838	S	S	*	*			trans	-120.3	177.8	174.6	0	0	0	0	0	113.2
285	C	40	Very low	38.2	Very low	130 Å²	130	104.4 Å²	104.4	88%	0.878	85%	0.847	S	S	*	*			trans	-146.6	149.4	166.4	51.7	0	0	0	0	112.2
286	V	39	Very low	37.8	Very low	145 Å²	145	99 Å²	99	88%	0.879	84%	0.844	S	S	*	*			trans	-58.2	151.8	178.4	-70.7	0	0	0	0	112.4
287	G	36.8	Very low	37.9	Very low	77 Å²	77	100.5 Å²	100.5	79%	0.794	84%	0.842	S	S	*	*			cis	102.2	139.7	36.7	0	0	0	0	0	109.4
288	A	41.6	Very low	37.7	Very low	105 Å²	105	102 Å²	102	87%	0.868	85%	0.846	S	S	*	*			cis	-155.5	155.4	-1.7	0	0	0	0	0	109
289	G	38.1	Very low	37.5	Very low	73 Å²	73	103.6 Å²	103.6	75%	0.753	84%	0.842	S	S	*	*				111.5	165.1	97.3	0	0	0	0	0	112.6
290	V	43.3	Very low	37.3	Very low	149 Å²	149	103.3 Å²	103.3	90%	0.903	84%	0.839	S	S	*	*			cis	-157.8	147.4	-6.1	167.4	0	0	0	0	110.6
291	G	37.5	Very low	37	Very low	77 Å²	77	103.7 Å²	103.7	79%	0.794	83%	0.831	S	S	*	*			trans	102.6	138	149.1	0	0	0	0	0	116.7
292	G	36.6	Very low	36.6	Very low	84 Å²	84	105.5 Å²	105.5	87%	0.866	83%	0.83	S	S	*	*			cis	161.5	152.6	-2.5	0	0	0	0	0	108.4
293	G	34.7	Very low	35.9	Very low	79 Å²	79	107.3 Å²	107.3	81%	0.814	83%	0.83	S	S	*	*			cis	-178.6	177.5	-2.6	0	0	0	0	0	111.1
294	G	34.2	Very low	35.5	Very low	89 Å²	89	109 Å²	109	92%	0.918	83%	0.827	S	S	*	*			trans	85.2	138.6	175.2	0	0	0	0	0	115.5
295	G	34.2	Very low	35.2	Very low	83 Å²	83	111.1 Å²	111.1	86%	0.856	82%	0.819	S	S	*	*			cis	162.3	142.3	-6.5	0	0	0	0	0	111.2
296	G	35.5	Very low	34.7	Very low	83 Å²	83	110.8 Å²	110.8	86%	0.856	82%	0.818	S	S	*	*			trans	139	116.5	173.1	0	0	0	0	0	114.7
297	S	36.7	Very low	34.1	Very low	111 Å²	111	114.5 Å²	114.5	78%	0.776	82%	0.816	S	S	*	*			trans	-97.8	145.6	-170.7	-48.4	0	0	0	0	113.9
298	N	38.6	Very low	33.7	Very low	168 Å²	168	114 Å²	114	90%	0.898	81%	0.811	S	S	*	*				-173.7	140.7	113.6	-93.9	-11.5	0	0	0	111.7
299	S	32.2	Very low	33.1	Very low	120 Å²	120	118.1 Å²	118.1	84%	0.839	81%	0.81	S	S	*	*			trans	-119	145.8	179	-174.4	0	0	0	0	110.4
300	G	34.8	Very low	32.7	Very low	72 Å²	72	121.1 Å²	121.1	74%	0.742	81%	0.808	S	S	*	*			trans	-163.4	41.2	-167.6	0	0	0	0	0	115.9
301	V	32.5	Very low	32.5	Very low	113 Å²	113	117.6 Å²	117.6	69%	0.685	79%	0.785	S	S	*	*			trans	45.8	110.4	133.8	-178.6	0	0	0	0	119.5
302	L	28.2	Very low	32	Very low	157 Å²	157	124.3 Å²	124.3	82%	0.822	79%	0.786	S	S	*	*			trans	70.8	145.5	152.4	-57.9	169.7	0	0	0	117.7
303	E	29.7	Very low	31.9	Very low	180 Å²	180	126.1 Å²	126.1	84%	0.841	77%	0.773	S	S	*	*			cis	-135.8	171.7	22.1	-82.4	-167	121.1	0	0	113.6
304	P	28.8	Very low	31.6	Very low	114 Å²	114	128.6 Å²	128.6	74%	0.74	77%	0.772	S	S	*	*			trans	-96.6	156.3	-159.8	36.9	-36	0	0	0	118.5
305	N	26.9	Very low	31.4	Very low	125 Å²	125	128.2 Å²	128.2	67%	0.668	76%	0.756	S	S	*	*			trans	-2	129.6	161.7	-68.7	-25.8	0	0	0	120.6	R307	N305-R307 HydrophobicContact CB-CG 4.43Å
306	S	28.6	Very low	31	Very low	123 Å²	123	127.3 Å²	127.3	86%	0.86	74%	0.74	S	S	*	*			trans	-115.5	107.5	133	49.8	0	0	0	0	109.1	G308	S306-G308 PolarHBondContact O-N 3.13Å; S306-G308 VanDerWaalsContact O-N 3.12Å
307	R	26.5	Very low	30.4	Very low	222 Å²	222	126.3 Å²	126.3	84%	0.838	73%	0.73	S	S	*	*			trans	-79.2	92.8	179.5	-75.8	179.6	175.4	162.3	-3.2	109.7	N305 F309	N305-R307 HydrophobicContact CB-CG 4.43Å; R307-F309 PolarHBondContact O-N 2.83Å
308	G	28.1	Very low	30	Very low	68 Å²	68	128.5 Å²	128.5	70%	0.701	73%	0.733	S	S	*	*			trans	-69.1	125.7	166.3	0	0	0	0	0	110.4	S306 D310	S306-G308 PolarHBondContact O-N 3.13Å; S306-G308 VanDerWaalsContact O-N 3.12Å; G308-D310 PolarHBondContact O-N 2.95Å
309	F	28.9	Very low	29.3	Very low	190 Å²	190	123.5 Å²	123.5	83%	0.833	72%	0.721	S	S	*	*			trans	-57.7	121.4	-178.6	-151.3	-94.4	0	0	0	111.2	R307 D311	R307-F309 PolarHBondContact O-N 2.83Å; F309-D311 PolarHBondContact O-N 2.79Å; F309-D311 VanDerWaalsContact O-N 3.12Å
310	D	29.2	Very low	29	Very low	136 Å²	136	126.5 Å²	126.5	73%	0.727	73%	0.727	S	S	*	*			trans	-72.5	103	179.8	-100.5	-39.8	0	0	0	110.4	G308 R312	G308-D310 PolarHBondContact O-N 2.95Å; D310-R312 HydrophobicContact CB-CG 4.47Å; D310-R312 PolarHBondContact O-N 2.7Å
311	D	39.4	Very low	28.5	Very low	76 Å²	76	126.6 Å²	126.6	41%	0.406	73%	0.728	S	S	.	*			trans	-71.3	75.7	173.3	-155.8	-36	0	0	0	109.4	K198 F309 M313	K198-D311 IonicContact NZ-OD1 2.7Å; K198-D311 PolarHBondContact NZ-OD1 2.87Å; K198-D311 IonicContact NZ-OD2 3.77Å; K198-D311 PolarHBondContact NZ-OD2 2.84Å; F309-D311 PolarHBondContact O-N 2.79Å; F309-D311 VanDerWaalsContact O-N 3.12Å; D311-M313 PolarHBondContact O-N 3.23Å
312	R	28.2	Very low	28	Very low	217 Å²	217	126.8 Å²	126.8	82%	0.819	74%	0.735	S	S	*	*			trans	-65	94.1	-175.7	-81.1	-174.6	172.7	171	-0.9	111.1	D310 V314	D310-R312 HydrophobicContact CB-CG 4.47Å; D310-R312 PolarHBondContact O-N 2.7Å; R312-V314 PolarHBondContact O-N 3.05Å; R312-V314 VanDerWaalsContact O-N 3.12Å
313	M	33.1	Very low	27.8	Very low	122 Å²	122	127.4 Å²	127.4	60%	0.601	74%	0.738	S	S	*	*			trans	-54.9	116.4	153.3	-96.5	-169.4	161.4	0	0	109	D311 S315	D311-M313 PolarHBondContact O-N 3.23Å; M313-S315 PolarHBondContact O-N 2.84Å
314	V	29.9	Very low	27.5	Very low	131 Å²	131	123.6 Å²	123.6	79%	0.794	73%	0.731	S	S	*	*			trans	-67.1	91.4	160.6	-178.7	0	0	0	0	106.7	R312	R312-V314 PolarHBondContact O-N 3.05Å; R312-V314 VanDerWaalsContact O-N 3.12Å
315	S	28.8	Very low	27.3	Very low	81 Å²	81	123.1 Å²	123.1	57%	0.566	73%	0.731	S	S	*	*			trans	-113	78	178.1	170.2	0	0	0	0	108.3	M313 G317	M313-S315 PolarHBondContact O-N 2.84Å; S315-G317 PolarHBondContact O-N 2.8Å; S315-G317 VanDerWaalsContact O-N 3.08Å
316	A	26.9	Very low	27.1	Very low	64 Å²	64	125 Å²	125	53%	0.529	74%	0.735	S	S	.	*			trans	-56.3	115.4	168.4	0	0	0	0	0	109.1
317	G	22.9	Very low	26.8	Very low	63 Å²	63	130.5 Å²	130.5	65%	0.649	74%	0.737	S	S	*	*			trans	-94	127.1	176.6	0	0	0	0	0	109.9	S315	S315-G317 PolarHBondContact O-N 2.8Å; S315-G317 VanDerWaalsContact O-N 3.08Å
318	D	27.6	Very low	26.7	Very low	156 Å²	156	127.7 Å²	127.7	83%	0.834	73%	0.734	S	S	*	*			trans	-162.5	151.4	155.9	-88.3	-37.4	0	0	0	106.9
319	G	24.9	Very low	26.4	Very low	63 Å²	63	131 Å²	131	65%	0.649	75%	0.745	S	S	*	*			cis	165	35	1.6	0	0	0	0	0	112.8
320	L	26	Very low	26.4	Very low	183 Å²	183	125.6 Å²	125.6	96%	0.958	74%	0.742	S	S	*	*			trans	-144.2	132.2	-177.6	-74	178.9	0	0	0	114.4
321	G	23.6	Very low	26.1	Very low	75 Å²	75	130.6 Å²	130.6	77%	0.773	75%	0.751	S	S	*	*			trans	93.7	75.1	143.1	0	0	0	0	0	117.7	L323	G321-L323 PolarHBondContact O-N 3.14Å
322	S	22.5	Very low	25.6	Very low	117 Å²	117	135.2 Å²	135.2	82%	0.818	78%	0.775	S	S	*	*			trans	-59.9	125.1	154.1	176.5	0	0	0	0	110.1
323	L	23.3	Very low	25.6	Very low	169 Å²	169	129.5 Å²	129.5	89%	0.885	77%	0.768	S	S	*	*			trans	-131.7	96	157.9	-90.6	173.3	0	0	0	109.2	G321	G321-L323 PolarHBondContact O-N 3.14Å
324	S	22.6	Very low	25.4	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	78%	0.783	S	S	*	*			trans	-59.8	139.4	166.5	52.8	0	0	0	0	111.1
325	S	24.5	Very low	25.4	Very low	105 Å²	105	130.2 Å²	130.2	73%	0.734	78%	0.778	S	S	*	*			trans	-140.4	88.2	158.5	-77.9	0	0	0	0	109.3
326	Q	22.8	Very low	25.5	Very low	163 Å²	163	137.9 Å²	137.9	76%	0.762	79%	0.794	S	S	*	*			trans	-70.7	122.5	171.8	177.6	-177.9	10.8	0	0	109
327	W	23.8	Very low	25.7	Very low	240 Å²	240	139.8 Å²	139.8	91%	0.909	80%	0.804	S	S	*	*			trans	-126.3	113	165.1	-73.5	100.7	0	0	0	109.3
328	Q	23	Very low	26.3	Very low	163 Å²	163	142 Å²	142	76%	0.762	81%	0.809	S	S	*	*			trans	-121.3	140	174.5	-106.5	-173.2	0.2	0	0	109.6
329	C	22.8	Very low	26.5	Very low	137 Å²	137	142 Å²	142	93%	0.926	81%	0.808	S	S	*	*			trans	66.4	137.1	158.1	-147.5	0	0	0	0	118.5
330	G	28.6	Very low	26.8	Very low	76 Å²	76	144.3 Å²	144.3	78%	0.784	81%	0.809	S	S	*	*			trans	170.8	40.6	-179.9	0	0	0	0	0	114.6	L332	G330-L332 PolarHBondContact O-N 2.73Å
331	R	23.8	Very low	27	Very low	242 Å²	242	143.8 Å²	143.8	91%	0.913	81%	0.806	S	S	*	*			trans	-69.7	114.3	175.8	175.7	-162.2	-79.8	-159	-4.4	109.9
332	L	28.3	Very low	27.4	Very low	172 Å²	172	143.9 Å²	143.9	90%	0.901	81%	0.807	S	S	*	*			trans	-149.1	139.3	155.4	-98.3	176	0	0	0	110.7	G330	G330-L332 PolarHBondContact O-N 2.73Å
333	S	28	Very low	27.8	Very low	98 Å²	98	146.8 Å²	146.8	69%	0.685	81%	0.813	S	S	*	*			trans	-105.4	150.1	177.8	55.4	0	0	0	0	111.2
334	M	28.7	Very low	28.2	Very low	185 Å²	185	144.3 Å²	144.3	91%	0.911	81%	0.809	S	S	*	*				-177.2	136	112.6	-102.4	-172.6	-84.1	0	0	111.2
335	A	29.6	Very low	28.8	Very low	83 Å²	83	144.9 Å²	144.9	69%	0.686	81%	0.813	S	S	*	*			trans	-84.8	156.1	169.7	0	0	0	0	0	111
336	R	31.2	Very low	29.3	Very low	242 Å²	242	145.3 Å²	145.3	91%	0.913	82%	0.816	S	S	*	*			trans	-140.8	126.5	144	-67	-163.4	79.2	157.3	3.6	109.9
337	S	32	Very low	29.8	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	82%	0.816	S	S	*	*			trans	-96.6	-172.4	179.7	-41.9	0	0	0	0	112
338	S	33.9	Very low	30.3	Very low	109 Å²	109	134.7 Å²	134.7	76%	0.762	81%	0.808	S	S	*	*			trans	77.3	159.7	161.7	83.8	0	0	0	0	115.7
339	I	32.8	Very low	30.8	Very low	156 Å²	156	133.3 Å²	133.3	80%	0.8	81%	0.81	S	S	*	*			cis	-161	170.6	8.3	-140.8	157.1	0	0	0	108.9
340	V	31.5	Very low	31.1	Very low	112 Å²	112	135.7 Å²	135.7	68%	0.679	81%	0.808	S	S	*	*				-158.3	162.2	-66.6	76.6	0	0	0	0	109.5
341	L	30	Very low	31.3	Very low	172 Å²	172	136.3 Å²	136.3	90%	0.901	81%	0.805	S	S	*	*			trans	68.6	151.8	168.1	-66.1	164.5	0	0	0	119.4
342	G	31.4	Very low	31.8	Very low	77 Å²	77	129.7 Å²	129.7	79%	0.794	80%	0.802	S	S	*	*			trans	151.1	75.1	161.9	0	0	0	0	0	116.7	S344	G342-S344 PolarHBondContact O-N 3.37Å
343	L	31	Very low	32.1	Very low	178 Å²	178	126.7 Å²	126.7	93%	0.932	80%	0.796	S	S	*	*			trans	-72.2	120.2	166.5	-74.3	162.5	0	0	0	110.4
344	S	32.7	Very low	32.2	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	81%	0.806	S	S	*	*			trans	176.2	143.5	136.9	42.6	0	0	0	0	114.3	G342	G342-S344 PolarHBondContact O-N 3.37Å
345	S	34.9	Very low	32.6	Very low	112 Å²	112	123.1 Å²	123.1	78%	0.783	80%	0.799	S	S	*	*			trans	41	104.8	148.7	-169.7	0	0	0	0	121.5
346	S	34.5	Very low	33.1	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	81%	0.812	S	S	*	*				61.3	128.4	127.4	-148.8	0	0	0	0	122.1
347	A	33.8	Very low	33.2	Very low	91 Å²	91	118.9 Å²	118.9	75%	0.752	81%	0.807	S	S	*	*			trans	71.6	100.8	149.2	0	0	0	0	0	121
348	A	33.5	Very low	33.4	Very low	90 Å²	90	117.4 Å²	117.4	74%	0.744	81%	0.808	S	S	*	*				84.7	131	124.7	0	0	0	0	0	122.5
349	V	33.4	Very low	33.4	Very low	133 Å²	133	119 Å²	119	81%	0.806	81%	0.813	S	S	*	*			trans	65.6	118.5	148.8	-64.9	0	0	0	0	123.6
350	E	29.7	Very low	33.5	Very low	188 Å²	188	115.1 Å²	115.1	88%	0.879	81%	0.812	S	S	*	*			trans	72.3	125.8	139.1	-66.5	-157.8	104.7	0	0	125.1
351	A	32.3	Very low	33.7	Very low	89 Å²	89	116.6 Å²	116.6	74%	0.736	82%	0.821	S	S	*	*			trans	77	102.3	133.1	0	0	0	0	0	123.7
352	A	33.6	Very low	33.9	Very low	102 Å²	102	112 Å²	112	84%	0.843	81%	0.814	S	S	*	*				80.4	132	121.9	0	0	0	0	0	124.5
353	S	35.3	Very low	33.9	Very low	110 Å²	110	118.2 Å²	118.2	77%	0.769	82%	0.82	S	S	*	*			trans	96.6	99	134.9	-169.7	0	0	0	0	123.1
354	C	31.2	Very low	34	Very low	133 Å²	133	113.5 Å²	113.5	90%	0.899	82%	0.815	S	S	*	*			trans	51.9	124	135	-70.6	0	0	0	0	123.8
355	G	36	Very low	34.1	Very low	75 Å²	75	114.9 Å²	114.9	77%	0.773	82%	0.818	S	S	*	*			trans	-159.7	148.7	163.6	0	0	0	0	0	112.5
356	V	39.4	Very low	34	Very low	158 Å²	158	113.4 Å²	113.4	96%	0.958	82%	0.821	S	S	*	*			trans	-151.1	143.7	-166.6	169.3	0	0	0	0	114.4
357	G	34.7	Very low	33.9	Very low	78 Å²	78	116.4 Å²	116.4	80%	0.804	83%	0.828	S	S	*	*			trans	103.1	143.5	161.2	0	0	0	0	0	116.1
358	G	35.2	Very low	34	Very low	73 Å²	73	117.1 Å²	117.1	75%	0.753	83%	0.834	S	S	*	*			cis	-173.9	143.8	-5.5	0	0	0	0	0	114.5
359	V	35.4	Very low	34.1	Very low	141 Å²	141	118.1 Å²	118.1	86%	0.855	84%	0.835	S	S	*	*			trans	43.2	126.5	141.3	-166.9	0	0	0	0	123
360	G	34.1	Very low	34.3	Very low	76 Å²	76	119 Å²	119	78%	0.784	84%	0.841	S	S	*	*			trans	-166.8	144.3	158.9	0	0	0	0	0	111.5
361	V	35.9	Very low	34.7	Very low	142 Å²	142	113.5 Å²	113.5	86%	0.861	84%	0.835	S	S	*	*			trans	-120.3	154	-162.6	-93.2	0	0	0	0	115.5
362	G	33.2	Very low	35	Very low	75 Å²	75	117 Å²	117	77%	0.773	84%	0.842	S	S	*	*			trans	178.7	128.7	165.8	0	0	0	0	0	113.2
363	F	33	Very low	35.5	Very low	209 Å²	209	119.6 Å²	119.6	92%	0.917	84%	0.841	S	S	*	*			trans	-104.1	154.3	-169.7	-78.5	-99.9	0	0	0	114.6
364	G	33.1	Very low	35.9	Very low	79 Å²	79	122.2 Å²	122.2	81%	0.814	85%	0.847	S	S	*	*			trans	-164.7	127.5	163.7	0	0	0	0	0	111.3
365	T	33.5	Very low	36.5	Very low	146 Å²	146	123.3 Å²	123.3	90%	0.896	84%	0.844	S	S	*	*			trans	-102.1	142.7	-167.6	49.1	0	0	0	0	114.2
366	G	34.1	Very low	37.1	Very low	81 Å²	81	128.7 Å²	128.7	84%	0.835	85%	0.849	S	S	*	*			trans	-163.1	129.1	166.3	0	0	0	0	0	111.1
367	N	32.3	Very low	37	Very low	175 Å²	175	130.5 Å²	130.5	94%	0.936	85%	0.847	S	S	*	*			trans	-110.9	127.4	-168.7	-141.9	43.2	0	0	0	110.7
368	A	36.1	Very low	37.4	Very low	106 Å²	106	133.3 Å²	133.3	88%	0.876	84%	0.839	S	S	*	*			trans	-156.8	146	163.3	0	0	0	0	0	110.5
369	S	34.3	Very low	37.5	Very low	111 Å²	111	138.1 Å²	138.1	78%	0.776	85%	0.847	S	S	*	*			trans	-119	138.1	-167.9	53	0	0	0	0	112.8
370	T	38.5	Very low	37.6	Very low	151 Å²	151	133.8 Å²	133.8	93%	0.926	83%	0.832	S	S	*	*			trans	-162.7	147.4	154.1	25.3	0	0	0	0	110.2
371	G	37.5	Very low	37.6	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	84%	0.836	S	S	*	*			trans	-77.4	177.5	-167	0	0	0	0	0	117.9
372	D	38.6	Very low	37.5	Very low	163 Å²	163	136.7 Å²	136.7	87%	0.872	83%	0.831	S	S	*	*			trans	-107.1	128.7	172.6	-66.8	-53.7	0	0	0	109.8
373	D	44	Very low	37.7	Very low	155 Å²	155	138.6 Å²	138.6	83%	0.829	82%	0.822	S	S	*	*			trans	-109.4	124.6	165.7	-80.7	-67.3	0	0	0	107.4
374	D	44.8	Very low	37.7	Very low	165 Å²	165	134 Å²	134	88%	0.882	81%	0.814	S	S	*	*			trans	-100.5	97.4	170.3	-79.5	-49.9	0	0	0	109.9
375	D	43.4	Very low	37.7	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	82%	0.819	S	S	*	*			trans	-92.6	109.3	167.1	-91.6	-47.2	0	0	0	109.6
376	E	47.6	Very low	37.7	Very low	187 Å²	187	139.9 Å²	139.9	87%	0.874	82%	0.815	S	S	*	*			trans	-77.5	122.5	166.5	-73.1	-174.2	155.2	0	0	110.8
377	E	37.3	Very low	37.4	Very low	197 Å²	197	143 Å²	143	92%	0.921	81%	0.812	S	S	*	*			trans	-69.2	124.6	172.5	-62.2	-174.3	152	0	0	111.3
378	E	43.3	Very low	37.4	Very low	136 Å²	136	139.9 Å²	139.9	64%	0.636	80%	0.799	S	S	*	*			trans	-141.1	126.1	161.2	-80	-158.7	131.1	0	0	111.4	Y58 K80 G380	Y58-E378 WeakPolarHBondContact CE1-OE2 3.28Å; Y58-E378 WeakPolarHBondContact OH-CB 3.4Å; K80-E378 IonicContact NZ-OE2 2.77Å; E378-G380 PolarHBondContact O-N 3.46Å
379	D	37.7	Very low	37	Very low	174 Å²	174	143.4 Å²	143.4	93%	0.93	80%	0.798	S	S	*	*			trans	-62.7	99.1	176.9	-75.7	-54.9	0	0	0	112.7
380	G	36.4	Very low	37	Very low	51 Å²	51	143.9 Å²	143.9	53%	0.526	80%	0.796	S	S	.	*			trans	-99.2	122.4	173.1	0	0	0	0	0	112.6	E378 S382	E378-G380 PolarHBondContact O-N 3.46Å; G380-S382 PolarHBondContact O-N 3.44Å
381	I	35.1	Very low	36.6	Very low	169 Å²	169	142.6 Å²	142.6	87%	0.867	79%	0.79	S	S	*	*			trans	-65	107.5	173.5	-64.2	169.8	0	0	0	110
382	S	33.1	Very low	36.2	Very low	109 Å²	109	145 Å²	145	76%	0.762	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-80.6	121	173.4	56.9	0	0	0	0	111.5	G380	G380-S382 PolarHBondContact O-N 3.44Å
383	I	37.9	Very low	36.1	Very low	115 Å²	115	142.9 Å²	142.9	59%	0.59	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-87.7	126.8	169	-57.9	179	0	0	0	108.4	V44	V44-I383 HydrophobicContact CG2-CD1 4Å
384	P	32.4	Very low	35.4	Very low	114 Å²	114	144.4 Å²	144.4	74%	0.74	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-73.5	136.4	-177.2	28.9	-34.5	0	0	0	112.3	N386	P384-N386 PolarHBondContact O-N 2.95Å
385	E	33.2	Very low	34.9	Very low	198 Å²	198	144.8 Å²	144.8	93%	0.925	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.7	119.8	170.7	-61.9	-175.5	135.4	0	0	109.9
386	N	33.6	Very low	34.7	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	79%	0.788	S	S	*	*			trans	-113.1	122.1	169.1	-161.4	14	0	0	0	110.5	P384 T388	P384-N386 PolarHBondContact O-N 2.95Å; N386-T388 PolarHBondContact O-N 2.85Å
387	N	28.7	Very low	34.3	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	78%	0.778	S	S	*	*			trans	-94.5	95.2	-165.2	-168.9	15	0	0	0	110.6
388	T	31.9	Very low	34.6	Very low	108 Å²	108	135.5 Å²	135.5	66%	0.663	77%	0.771	S	S	*	*			trans	-111.1	114.8	179.8	-54.5	0	0	0	0	111.1	N386	N386-T388 PolarHBondContact O-N 2.85Å
389	Q	27.9	Very low	34.4	Very low	180 Å²	180	136.4 Å²	136.4	84%	0.841	78%	0.78	S	S	*	*			trans	-74.6	137.5	175.8	-66.2	173.4	-4.3	0	0	111
390	V	34.3	Very low	35.1	Very low	121 Å²	121	133.6 Å²	133.6	73%	0.733	77%	0.774	S	S	*	*			trans	-125.7	135.2	171.8	-163.8	0	0	0	0	108.4
391	P	30.3	Very low	35.4	Very low	124 Å²	124	136.4 Å²	136.4	81%	0.805	78%	0.783	S	S	*	*			trans	-76.5	138.5	-167.4	-14.2	30.3	0	0	0	113.2
392	T	27.9	Very low	35.6	Very low	125 Å²	125	134 Å²	134	77%	0.767	78%	0.778	S	S	*	*			trans	-93.3	121.9	174	52.1	0	0	0	0	111.3
393	S	37.1	Very low	35.6	Very low	119 Å²	119	132.4 Å²	132.4	83%	0.832	78%	0.779	S	S	*	*			trans	-106.6	146.7	165.3	-64	0	0	0	0	110.8
394	E	30.2	Very low	35.5	Very low	186 Å²	186	131.8 Å²	131.8	87%	0.869	79%	0.791	S	S	*	*			trans	-40.2	127.4	-174.3	-59	161.9	122.6	0	0	116.1
395	L	34.8	Very low	35.8	Very low	174 Å²	174	134 Å²	134	91%	0.911	79%	0.791	S	S	*	*			trans	-147.7	136.9	139.5	-75.2	-173.6	0	0	0	109.3
396	T	37.2	Very low	36.1	Very low	126 Å²	126	129.8 Å²	129.8	77%	0.773	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.1	158.3	178.4	25	0	0	0	0	112.2
397	P	39.3	Very low	36.2	Very low	100 Å²	100	128.8 Å²	128.8	65%	0.649	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-61	127.7	175.2	-16	29.8	0	0	0	109.9
398	P	45	Very low	36.8	Very low	119 Å²	119	126.6 Å²	126.6	77%	0.773	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67.4	149.8	166.8	29.9	-33.6	0	0	0	109.4
399	D	39.2	Very low	37.3	Very low	156 Å²	156	128 Å²	128	83%	0.834	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-56.1	149.1	169.5	-83.1	-53.4	0	0	0	110.7	P401	D399-P401 WeakPolarHBondContact O-CD 3.13Å
400	S	51	Low	38.3	Very low	114 Å²	114	126.6 Å²	126.6	80%	0.797	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-62.9	122	179.2	-62.9	0	0	0	0	108.4
401	P	43.6	Very low	39.5	Very low	111 Å²	111	123.6 Å²	123.6	72%	0.721	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-60.7	138.1	176.9	25.4	-32.7	0	0	0	108.5	D399	D399-P401 WeakPolarHBondContact O-CD 3.13Å
402	P	38.9	Very low	40.8	Very low	119 Å²	119	122 Å²	122	77%	0.773	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-56.4	151.5	170.9	27	-34.1	0	0	0	108.7	A404	P402-A404 PolarHBondContact O-N 3.01Å
403	G	33.3	Very low	42.9	Very low	75 Å²	75	117.8 Å²	117.8	77%	0.773	72%	0.717	S	S	*	*			trans	-47.9	109.9	-172.7	0	0	0	0	0	111.1	E405	G403-E405 PolarHBondContact O-N 3.38Å
404	A	36.1	Very low	45	Very low	101 Å²	101	118.8 Å²	118.8	84%	0.835	71%	0.709	S	S	*	*			trans	-74.5	74.9	172.6	0	0	0	0	0	107.8	P402 C406	P402-A404 PolarHBondContact O-N 3.01Å; A404-C406 PolarHBondContact O-N 2.96Å
405	E	38.4	Very low	47.7	Very low	161 Å²	161	111.7 Å²	111.7	75%	0.752	68%	0.676	S	S	*	*			trans	-49.9	128.6	153.4	-60.5	-163	145.2	0	0	106.6	G403 L407	G403-E405 PolarHBondContact O-N 3.38Å; E405-L407 PolarHBondContact O-N 3.04Å
406	C	39.1	Very low	50.1	Low	110 Å²	110	107.4 Å²	107.4	74%	0.743	65%	0.651	S	S	*	*			trans	-72.3	82.1	171.9	-171.3	0	0	0	0	105.9	A404	A404-C406 PolarHBondContact O-N 2.96Å
407	L	36.7	Very low	52.3	Low	129 Å²	129	106.2 Å²	106.2	68%	0.675	65%	0.646	S	S	*	*			trans	-47.5	127.5	177.2	-74.3	177	0	0	0	107.4	E405 Q409	E405-L407 PolarHBondContact O-N 3.04Å; L407-Q409 PolarHBondContact O-N 2.89Å
408	P	40.1	Very low	54.4	Low	100 Å²	100	104 Å²	104	65%	0.649	63%	0.631	S	S	*	*			trans	-55.6	103.3	179.1	-25.4	34.2	0	0	0	109.1	L410	P408-L410 PolarHBondContact O-N 3.43Å
409	Q	42.1	Very low	56.4	Low	137 Å²	137	100.1 Å²	100.1	64%	0.64	60%	0.603	S	S	*	*			trans	-63.5	104.6	173.9	-82.4	-172.3	-30.1	0	0	106.7	R192 L407 F411	R192-Q409 PolarHBondContact NH2-O 3.48Å; L407-Q409 PolarHBondContact O-N 2.89Å; Q409-F411 PolarHBondContact O-N 2.92Å
410	L	49.2	Very low	58.9	Low	151 Å²	151	93 Å²	93	79%	0.791	57%	0.565	S	S	*	*			trans	-40.7	122.8	-177.2	-151.1	81.7	0	0	0	109.3	P408 S412	P408-L410 PolarHBondContact O-N 3.43Å; L410-S412 PolarHBondContact O-N 2.99Å
411	F	60.3	Low	60.8	Low	58 Å²	58	89.5 Å²	89.5	25%	0.254	54%	0.536	S	S	.	.			trans	-60.6	114.9	-168.3	176.5	-114.2	0	0	0	110.1	L193 Q409 G413 E414 L415 I435	L193-F411 HydrophobicContact CD1-CD2 4.12Å; L193-F411 HydrophobicContact CD1-CE2 4.06Å; L193-F411 HydrophobicContact CD2-CB 4.05Å; L193-F411 HydrophobicContact CD2-CD2 3.8Å; L193-F411 HydrophobicContact CD2-CG 4.04Å; L193-F411 HydrophobicContact CG-CD2 4.5Å; Q409-F411 PolarHBondContact O-N 2.92Å; F411-G413 VanDerWaalsContact CE1-CA 3.47Å; F411-G413 VanDerWaalsContact CZ-C 3.49Å; F411-G413 PolarHBondContact O-N 3.4Å; F411-E414 WeakPolarHBondContact CE2-O 3.26Å; F411-L415 HydrophobicContact CE2-CD2 4.09Å; F411-L415 HydrophobicContact CZ-CD2 4.31Å; F411-I435 HydrophobicContact CD1-CD1 4.37Å; F411-I435 HydrophobicContact CE1-CD1 3.56Å; F411-I435 HydrophobicContact CE2-CD1 4.04Å; F411-I435 HydrophobicContact CZ-CD1 3.37Å
412	S	58.4	Low	63.2	Low	90 Å²	90	84.4 Å²	84.4	63%	0.629	50%	0.503	S	S	*	.			trans	-76.9	19.1	-172	57.6	0	0	0	0	113.6	L410 E414	L410-S412 PolarHBondContact O-N 2.99Å; S412-E414 PolarHBondContact O-N 2.98Å; S412-E414 VanDerWaalsContact O-N 3.12Å
413	G	70.1	Confident	65.8	Low	37 Å²	37	79.6 Å²	79.6	38%	0.381	47%	0.474	S	S	.	.	S	Bend	trans	73.4	-13.6	-172.4	0	0	0	0	0	114.8	F411 K425	F411-G413 VanDerWaalsContact CE1-CA 3.47Å; F411-G413 VanDerWaalsContact CZ-C 3.49Å; F411-G413 PolarHBondContact O-N 3.4Å; G413-K425 WeakPolarHBondContact O-CE 3.21Å; G413-K425 PolarHBondContact O-NZ 2.71Å
414	E	82.6	Confident	68.7	Low	141 Å²	141	77.3 Å²	77.3	66%	0.659	44%	0.444	S	S	*	.	S	Bend	trans	-113.6	139.9	-177.5	-68.5	-169	166.2	0	0	112.9	F411 S412	F411-E414 WeakPolarHBondContact CE2-O 3.26Å; S412-E414 PolarHBondContact O-N 2.98Å; S412-E414 VanDerWaalsContact O-N 3.12Å
415	L	86.2	Confident	71.4	Confident	36 Å²	36	76.9 Å²	76.9	19%	0.188	42%	0.423	C	S	.	.			trans	-84.3	131.5	176.2	-69	171.9	0	0	0	109.7	L193 F411 P417 E420 K425 I435	L193-L415 HydrophobicContact CD1-CD2 4.15Å; F411-L415 HydrophobicContact CE2-CD2 4.09Å; F411-L415 HydrophobicContact CZ-CD2 4.31Å; L415-P417 WeakPolarHBondContact O-CD 3.32Å; L415-E420 VanDerWaalsContact CA-OE2 3.26Å; L415-E420 WeakPolarHBondContact CA-OE2 3.41Å; L415-E420 HydrophobicContact CB-CB 4.3Å; L415-E420 HydrophobicContact CD2-CB 4.11Å; L415-E420 HydrophobicContact CD2-CG 4.47Å; L415-K425 HydrophobicContact CD1-CG 3.88Å; L415-K425 HydrophobicContact CG-CG 4.36Å; L415-I435 HydrophobicContact CD1-CG2 4.34Å; L415-I435 HydrophobicContact CD2-CD1 4.2Å; L415-I435 HydrophobicContact CD2-CG2 3.93Å
416	H	86.1	Confident	73.8	Confident	84 Å²	84	70.1 Å²	70.1	39%	0.389	39%	0.394	S	S	.	.			trans	-78.6	113.9	179.5	-169.9	-88.4	0	0	0	110.4	T418 L419 E420	H416-T418 PolarHBondContact CE1-OG1 3.24Å; H416-T418 PolarHBondContact ND1-OG1 2.81Å; H416-T418 VanDerWaalsContact ND1-OG1 3.16Å; H416-T418 PolarHBondContact O-N 2.64Å; H416-L419 HydrophobicContact CB-CB 4.21Å; H416-L419 HydrophobicContact CB-CD1 4.34Å; H416-L419 PolarHBondContact O-N 2.79Å; H416-E420 PolarHBondContact N-OE2 3.24Å; H416-E420 PolarHBondContact O-N 3.22Å
417	P	83.1	Confident	76.2	Confident	101 Å²	101	66.1 Å²	66.1	66%	0.656	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.9	-162.5	22.3	-34.3	0	0	0	114.6	L415	L415-P417 WeakPolarHBondContact O-CD 3.32Å
418	T	83.8	Confident	78.6	Confident	54 Å²	54	68.1 Å²	68.1	33%	0.331	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-24.7	177.1	65.9	0	0	0	0	114.2	R186 H416	R186-T418 PolarHBondContact NH1-O 3.45Å; R186-T418 PolarHBondContact NH2-O 2.83Å; H416-T418 PolarHBondContact CE1-OG1 3.24Å; H416-T418 PolarHBondContact ND1-OG1 2.81Å; H416-T418 VanDerWaalsContact ND1-OG1 3.16Å; H416-T418 PolarHBondContact O-N 2.64Å
419	L	86.3	Confident	80.7	Confident	38 Å²	38	70.2 Å²	70.2	20%	0.199	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-29.3	-178.9	-66.3	174.7	0	0	0	111.4	Q130 P191 H416	Q130-L419 HydrophobicContact CG-CD2 4.07Å; P191-L419 HydrophobicContact CG-CB 4.39Å; P191-L419 HydrophobicContact CG-CD2 4.4Å; H416-L419 HydrophobicContact CB-CB 4.21Å; H416-L419 HydrophobicContact CB-CD1 4.34Å; H416-L419 PolarHBondContact O-N 2.79Å
420	E	90.8	Very high	82.6	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.028	36%	0.357	C	S	.	.	S	Bend	trans	-124	37.6	-169.6	-60.2	173.4	139.8	0	0	109.5	S190 L193 L415 H416 Y422 G423 F437	S190-E420 VanDerWaalsContact CB-OE1 3.25Å; S190-E420 WeakPolarHBondContact CB-OE1 3.27Å; S190-E420 PolarHBondContact OG-OE1 3.36Å; L193-E420 WeakPolarHBondContact CD1-OE1 3.12Å; L415-E420 VanDerWaalsContact CA-OE2 3.26Å; L415-E420 WeakPolarHBondContact CA-OE2 3.41Å; L415-E420 HydrophobicContact CB-CB 4.3Å; L415-E420 HydrophobicContact CD2-CB 4.11Å; L415-E420 HydrophobicContact CD2-CG 4.47Å; H416-E420 PolarHBondContact N-OE2 3.24Å; H416-E420 PolarHBondContact O-N 3.22Å; E420-Y422 PolarHBondContact O-N 3.3Å; E420-Y422 VanDerWaalsContact O-N 3.14Å; E420-G423 WeakPolarHBondContact O-CA 3.43Å; E420-G423 PolarHBondContact O-N 3.45Å; E420-F437 HydrophobicContact CB-CE1 4.19Å; E420-F437 HydrophobicContact CG-CE1 4.38Å
421	H	91.9	Very high	84.1	Confident	41 Å²	41	61.6 Å²	61.6	19%	0.19	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-35.6	-177.3	172.1	92.2	0	0	0	113.8	G160 T162 Q166 G423	G160-H421 PolarHBondContact O-CE1 2.89Å; T162-H421 PolarHBondContact O-NE2 3.22Å; Q166-H421 PolarHBondContact NE2-CD2 2.92Å; Q166-H421 VanDerWaalsContact NE2-CD2 3.35Å; Q166-H421 PolarHBondContact NE2-CE1 3.12Å; Q166-H421 PolarHBondContact NE2-ND1 2.88Å; Q166-H421 PolarHBondContact NE2-NE2 2.94Å; Q166-H421 VanDerWaalsContact NE2-NE2 3.2Å; H421-G423 VanDerWaalsContact C-N 3.35Å
422	Y	94.3	Very high	85.2	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.016	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	2.2	178.7	-53.6	-78.1	0	0	0	113.6	L164 Q166 R186 V188 E420 F437 V438 A439	L164-Y422 PolarHBondContact O-OH 3.37Å; Q166-Y422 PolarHBondContact N-OH 2.93Å; R186-Y422 HydrophobicContact CG-CE2 4.48Å; V188-Y422 HydrophobicContact CB-CD2 4.4Å; V188-Y422 HydrophobicContact CG1-CD2 4.44Å; V188-Y422 HydrophobicContact CG1-CG 4.45Å; V188-Y422 HydrophobicContact CG2-CE2 4.36Å; E420-Y422 PolarHBondContact O-N 3.3Å; E420-Y422 VanDerWaalsContact O-N 3.14Å; Y422-F437 WeakPolarHBondContact O-CA 3.44Å; Y422-V438 WeakPolarHBondContact CB-O 3.29Å; Y422-V438 PolarHBondContact O-N 3.48Å; Y422-A439 HydrophobicContact CD1-CB 3.54Å; Y422-A439 HydrophobicContact CE1-CB 3.72Å; Y422-A439 HydrophobicContact CG-CB 4.03Å
423	G	93.7	Very high	86.6	Confident	17 Å²	17	62.8 Å²	62.8	18%	0.175	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.3	-174.6	0	0	0	0	0	112.7	E420 H421 Y436	E420-G423 WeakPolarHBondContact O-CA 3.43Å; E420-G423 PolarHBondContact O-N 3.45Å; H421-G423 VanDerWaalsContact C-N 3.35Å; G423-Y436 CarbonylContact C-O 3.57Å; G423-Y436 WeakPolarHBondContact CA-O 3.42Å
424	I	93.2	Very high	87.6	Confident	27 Å²	27	62.5 Å²	62.5	14%	0.138	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.8	178.1	-56.5	173.7	0	0	0	107.4	I223 M231 Y436	I223-I424 HydrophobicContact CD1-CG2 4.11Å; I223-I424 HydrophobicContact CG1-CG2 4.28Å; I223-I424 HydrophobicContact CG2-CG2 3.81Å; M231-I424 HydrophobicContact CB-CD1 4.1Å; M231-I424 HydrophobicContact CG-CD1 3.93Å; M231-I424 HydrophobicContact SD-CD1 3.34Å; M231-I424 WeakPolarHBondContact SD-CD1 3.25Å; I424-Y436 PolarHBondContact N-O 2.85Å; I424-Y436 PolarHBondContact O-N 2.92Å
425	K	92.2	Very high	88	Confident	92 Å²	92	56.1 Å²	56.1	40%	0.4	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	151.2	174.3	-59.5	177.9	-176.7	175.4	0	110.3	G413 L415	G413-K425 WeakPolarHBondContact O-CE 3.21Å; G413-K425 PolarHBondContact O-NZ 2.71Å; L415-K425 HydrophobicContact CD1-CG 3.88Å; L415-K425 HydrophobicContact CG-CG 4.36Å
426	S	90.7	Very high	88.3	Confident	19 Å²	19	54.7 Å²	54.7	13%	0.133	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-61.3	163.3	167.7	64.3	0	0	0	0	112.1	H222 P433 L434	H222-S426 CarbonylContact O-C 3.56Å; H222-S426 WeakPolarHBondContact O-CA 3.24Å; H222-S426 WeakPolarHBondContact O-CB 3.32Å; S426-P433 WeakPolarHBondContact OG-CA 3.42Å; S426-L434 WeakPolarHBondContact CB-O 3.43Å; S426-L434 PolarHBondContact N-O 2.8Å; S426-L434 PolarHBondContact OG-N 3.29Å; S426-L434 PolarHBondContact OG-O 2.77Å
427	S	89.5	Confident	88.7	Confident	27 Å²	27	50.7 Å²	50.7	19%	0.189	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-57.4	154.7	167	-162.8	0	0	0	0	111.1	H222 D429 S430	H222-S427 PolarHBondContact O-N 2.91Å; S427-D429 PolarHBondContact O-N 2.88Å; S427-D429 PolarHBondContact OG-OD2 3.24Å; S427-D429 VanDerWaalsContact OG-OD2 3.13Å; S427-S430 WeakPolarHBondContact O-CB 3.28Å; S427-S430 PolarHBondContact O-N 3.49Å; S427-S430 VanDerWaalsContact O-N 3.17Å
428	I	85.5	Confident	89.1	Confident	170 Å²	170	46 Å²	46	87%	0.872	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.9	172.5	-59.1	171.6	0	0	0	110.2	S430	I428-S430 PolarHBondContact O-N 2.93Å
429	D	84.1	Confident	89.7	Confident	144 Å²	144	43.4 Å²	43.4	77%	0.77	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	0.2	177.2	-41.6	-72.4	0	0	0	113.7	S427	S427-D429 PolarHBondContact O-N 2.88Å; S427-D429 PolarHBondContact OG-OD2 3.24Å; S427-D429 VanDerWaalsContact OG-OD2 3.13Å
430	S	83.4	Confident	90.1	Very high	16 Å²	16	41.6 Å²	41.6	11%	0.112	23%	0.227	C	C	.	.			trans	-66.9	132.1	177.2	-173.4	0	0	0	0	110	S427 I428 H432	S427-S430 WeakPolarHBondContact O-CB 3.28Å; S427-S430 PolarHBondContact O-N 3.49Å; S427-S430 VanDerWaalsContact O-N 3.17Å; I428-S430 PolarHBondContact O-N 2.93Å; S430-H432 WeakPolarHBondContact CB-O 3.42Å; S430-H432 PolarHBondContact O-N 3.14Å; S430-H432 PolarHBondContact OG-O 3.38Å
431	P	80.2	Confident	90.2	Very high	92 Å²	92	43 Å²	43	60%	0.597	24%	0.235	S	C	*	.	S	Bend	trans	-63.7	-23.6	179.3	26.6	-35.1	0	0	0	113
432	H	83	Confident	90.1	Very high	105 Å²	105	43.4 Å²	43.4	49%	0.486	24%	0.238	S	C	.	.	S	Bend	trans	-128.8	126.6	172.4	-61	-71.7	0	0	0	109.1	S430 L434	S430-H432 WeakPolarHBondContact CB-O 3.42Å; S430-H432 PolarHBondContact O-N 3.14Å; S430-H432 PolarHBondContact OG-O 3.38Å; H432-L434 PolarHBondContact O-N 2.62Å
433	P	87.7	Confident	90	Very high	68 Å²	68	43.3 Å²	43.3	44%	0.442	24%	0.238	S	C	.	.			trans	-73.7	113.4	178	29.1	-32.5	0	0	0	109.7	P259 S426	P259-P433 WeakPolarHBondContact CD-O 3.49Å; S426-P433 WeakPolarHBondContact OG-CA 3.42Å
434	L	90.6	Very high	89.9	Confident	31 Å²	31	43 Å²	43	16%	0.162	23%	0.233	C	C	.	.			trans	-120.7	158.7	-177.6	-66.2	178.5	0	0	0	111.6	V256 D258 S426 H432 Y436	V256-L434 HydrophobicContact CG1-CB 4.45Å; V256-L434 HydrophobicContact CG1-CD1 4.13Å; V256-L434 HydrophobicContact CG1-CD2 4.25Å; D258-L434 HydrophobicContact CB-CD2 3.82Å; S426-L434 WeakPolarHBondContact CB-O 3.43Å; S426-L434 PolarHBondContact N-O 2.8Å; S426-L434 PolarHBondContact OG-N 3.29Å; S426-L434 PolarHBondContact OG-O 2.77Å; H432-L434 PolarHBondContact O-N 2.62Å; L434-Y436 HydrophobicContact CB-CE1 4.31Å; L434-Y436 HydrophobicContact CB-CE2 4.31Å; L434-Y436 HydrophobicContact CD1-CE1 4.32Å
435	I	91.8	Very high	89.6	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.5	173.7	-59.5	178.5	0	0	0	108.5	L193 H257 F411 L415 F437	L193-I435 HydrophobicContact CD1-CD1 3.89Å; L193-I435 HydrophobicContact CD1-CG2 4.45Å; H257-I435 HydrophobicContact CB-CB 4.18Å; H257-I435 PolarHBondContact N-O 2.8Å; H257-I435 PolarHBondContact O-N 3.02Å; F411-I435 HydrophobicContact CD1-CD1 4.37Å; F411-I435 HydrophobicContact CE1-CD1 3.56Å; F411-I435 HydrophobicContact CE2-CD1 4.04Å; F411-I435 HydrophobicContact CZ-CD1 3.37Å; L415-I435 HydrophobicContact CD1-CG2 4.34Å; L415-I435 HydrophobicContact CD2-CD1 4.2Å; L415-I435 HydrophobicContact CD2-CG2 3.93Å; I435-F437 HydrophobicContact CG2-CD2 4.41Å; I435-F437 HydrophobicContact CG2-CE2 3.72Å; I435-F437 HydrophobicContact CG2-CZ 3.92Å
436	Y	92.3	Very high	89.2	Confident	6 Å²	6	45.4 Å²	45.4	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.8	180	-51.5	-77.6	0	0	0	110	M221 H222 I223 G255 V256 G423 I424 L434	M221-Y436 HydrophobicContact CB-CE1 4.38Å; M221-Y436 HydrophobicContact CE-CD1 3.7Å; M221-Y436 HydrophobicContact CE-CD2 4.31Å; M221-Y436 HydrophobicContact CE-CE1 4.43Å; M221-Y436 HydrophobicContact CE-CG 3.63Å; M221-Y436 HydrophobicContact CG-CD1 4.31Å; M221-Y436 HydrophobicContact CG-CE1 4.15Å; H222-Y436 PolarHBondContact N-OH 3.22Å; I223-Y436 HydrophobicContact CD1-CD2 4.11Å; I223-Y436 HydrophobicContact CG1-CD2 3.93Å; I223-Y436 HydrophobicContact CG1-CE2 3.95Å; G255-Y436 CarbonylContact O-C 3.51Å; G255-Y436 WeakPolarHBondContact O-CA 3.3Å; V256-Y436 HydrophobicContact CG1-CD1 4.4Å; V256-Y436 HydrophobicContact CG1-CE1 4.35Å; V256-Y436 HydrophobicContact CG2-CD1 4.2Å; V256-Y436 HydrophobicContact CG2-CE1 4.5Å; G423-Y436 CarbonylContact C-O 3.57Å; G423-Y436 WeakPolarHBondContact CA-O 3.42Å; I424-Y436 PolarHBondContact N-O 2.85Å; I424-Y436 PolarHBondContact O-N 2.92Å; L434-Y436 HydrophobicContact CB-CE1 4.31Å; L434-Y436 HydrophobicContact CB-CE2 4.31Å; L434-Y436 HydrophobicContact CD1-CE1 4.32Å
437	F	93.6	Very high	88.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.9	171	-69.9	-85.8	0	0	0	108.7	V188 F189 S190 L193 I195 I254 G255 H257 E420 Y422 I435	V188-F437 HydrophobicContact CG1-CB 4.46Å; V188-F437 WeakPolarHBondContact O-CD1 3.3Å; F189-F437 HydrophobicContact CD1-CB 3.78Å; F189-F437 HydrophobicContact CD1-CG 4.25Å; F189-F437 HydrophobicContact CE1-CB 4.25Å; S190-F437 VanDerWaalsContact CB-CZ 3.49Å; L193-F437 HydrophobicContact CD1-CE2 4.49Å; L193-F437 HydrophobicContact CD1-CZ 4.1Å; I195-F437 HydrophobicContact CD1-CD2 3.49Å; I195-F437 VanDerWaalsContact CD1-CD2 3.49Å; I195-F437 HydrophobicContact CD1-CE2 3.75Å; I195-F437 HydrophobicContact CD1-CG 4.38Å; I254-F437 CarbonylContact C-O 3.56Å; I254-F437 VanDerWaalsContact CA-O 3.3Å; I254-F437 WeakPolarHBondContact CA-O 3.48Å; G255-F437 PolarHBondContact N-O 3.29Å; G255-F437 PolarHBondContact O-N 2.85Å; H257-F437 HydrophobicContact CB-CE2 4.2Å; E420-F437 HydrophobicContact CB-CE1 4.19Å; E420-F437 HydrophobicContact CG-CE1 4.38Å; Y422-F437 WeakPolarHBondContact O-CA 3.44Å; I435-F437 HydrophobicContact CG2-CD2 4.41Å; I435-F437 HydrophobicContact CG2-CE2 3.72Å; I435-F437 HydrophobicContact CG2-CZ 3.92Å
438	V	93.4	Very high	87.8	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.6	-170.7	-177.1	0	0	0	0	110.4	M221 M231 L252 L253 I254 Y422	M221-V438 HydrophobicContact CE-CG2 3.73Å; M231-V438 HydrophobicContact SD-CB 4.25Å; M231-V438 HydrophobicContact SD-CG1 4.05Å; M231-V438 HydrophobicContact SD-CG2 4.15Å; L252-V438 HydrophobicContact CD1-CG1 3.81Å; L252-V438 HydrophobicContact CD2-CG1 3.8Å; L252-V438 HydrophobicContact CG-CG1 3.95Å; L253-V438 WeakPolarHBondContact O-CA 3.25Å; I254-V438 HydrophobicContact CG1-CG2 4.43Å; Y422-V438 WeakPolarHBondContact CB-O 3.29Å; Y422-V438 PolarHBondContact O-N 3.48Å
439	A	95.1	Very high	86.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150.6	177.3	0	0	0	0	0	112.7	L163 V188 L253 Y422	L163-A439 WeakPolarHBondContact O-CA 3.15Å; V188-A439 HydrophobicContact CB-CB 4.15Å; V188-A439 HydrophobicContact CG1-CB 3.52Å; V188-A439 HydrophobicContact CG2-CB 3.53Å; L253-A439 PolarHBondContact N-O 2.95Å; L253-A439 PolarHBondContact O-N 3.33Å; Y422-A439 HydrophobicContact CD1-CB 3.54Å; Y422-A439 HydrophobicContact CE1-CB 3.72Å; Y422-A439 HydrophobicContact CG-CB 4.03Å
440	I	94.7	Very high	85.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.3	170.7	-54.1	173.6	0	0	0	108.7	L163 L164 P165 L235 D238 L242 Y250 S251 L252 I443	L163-I440 HydrophobicContact CB-CD1 4.5Å; L163-I440 HydrophobicContact CB-CG1 4.23Å; L163-I440 PolarHBondContact O-N 3.31Å; L164-I440 HydrophobicContact CD2-CB 4.4Å; L164-I440 HydrophobicContact CD2-CD1 3.97Å; P165-I440 VanDerWaalsContact CD-O 3.23Å; P165-I440 WeakPolarHBondContact CD-O 3.23Å; P165-I440 VanDerWaalsContact CG-O 3.26Å; P165-I440 WeakPolarHBondContact CG-O 3.44Å; L235-I440 HydrophobicContact CD1-CD1 3.85Å; L235-I440 HydrophobicContact CD1-CG1 4.21Å; D238-I440 HydrophobicContact CB-CD1 3.69Å; L242-I440 HydrophobicContact CD1-CD1 4.11Å; L242-I440 HydrophobicContact CD1-CG2 4.07Å; Y250-I440 HydrophobicContact CD2-CG2 3.93Å; Y250-I440 HydrophobicContact CG-CG2 4.21Å; S251-I440 CarbonylContact O-C 3.59Å; S251-I440 VanDerWaalsContact O-CA 3.29Å; S251-I440 WeakPolarHBondContact O-CA 3.44Å; S251-I440 WeakPolarHBondContact O-CG2 3.48Å; L252-I440 HydrophobicContact CD1-CG1 3.93Å; I440-I443 HydrophobicContact CG2-CG2 3.58Å
441	I	92.7	Very high	85.1	Confident	36 Å²	36	46.8 Å²	46.8	19%	0.185	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	164.5	179.5	61.6	162.8	0	0	0	112.6	V188 Y250 S251 L253 I443	V188-I441 HydrophobicContact CG2-CG2 4.46Å; Y250-I441 VanDerWaalsContact CA-O 3.24Å; Y250-I441 WeakPolarHBondContact CA-O 3.36Å; Y250-I441 VanDerWaalsContact CB-O 3.3Å; Y250-I441 WeakPolarHBondContact CB-O 3.31Å; S251-I441 PolarHBondContact N-O 2.89Å; S251-I441 PolarHBondContact O-N 3.34Å; L253-I441 HydrophobicContact CB-CD1 4.02Å; L253-I441 HydrophobicContact CB-CG1 4.14Å; L253-I441 HydrophobicContact CB-CG2 3.88Å; L253-I441 HydrophobicContact CD2-CG2 4.05Å; I441-I443 VanDerWaalsContact C-N 3.35Å; I441-I443 PolarHBondContact O-N 3.12Å
442	D	89.2	Confident	84.5	Confident	49 Å²	49	48.5 Å²	48.5	26%	0.262	23%	0.228	S	C	.	.			trans	58.2	35.3	176.8	-78.3	-12.3	0	0	0	116.1	K134 L444	K134-D442 IonicContact NZ-OD1 3.83Å; K134-D442 PolarHBondContact NZ-OD1 3.03Å; D442-L444 PolarHBondContact O-N 3.48Å; D442-L444 VanDerWaalsContact O-N 3.11Å
443	I	93.4	Very high	83.8	Confident	2 Å²	2	48 Å²	48	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4	-176.1	68.2	164.1	0	0	0	116.2	M147 L164 P165 F167 L242 L247 I440 I441 T445	M147-I443 HydrophobicContact CE-CD1 3.84Å; M147-I443 HydrophobicContact CE-CG1 4.31Å; L164-I443 HydrophobicContact CD2-CD1 4.27Å; L164-I443 HydrophobicContact CD2-CG2 4.25Å; P165-I443 HydrophobicContact CG-CD1 4.48Å; P165-I443 HydrophobicContact CG-CG1 4.38Å; F167-I443 HydrophobicContact CE2-CD1 3.94Å; F167-I443 HydrophobicContact CZ-CD1 3.88Å; F167-I443 HydrophobicContact CZ-CG1 4Å; L242-I443 HydrophobicContact CD1-CG2 4.31Å; L242-I443 HydrophobicContact CD2-CB 3.75Å; L242-I443 HydrophobicContact CD2-CD1 4.24Å; L242-I443 HydrophobicContact CD2-CG2 3.78Å; L247-I443 WeakPolarHBondContact CD1-O 3.33Å; L247-I443 WeakPolarHBondContact CD2-O 3.44Å; I440-I443 HydrophobicContact CG2-CG2 3.58Å; I441-I443 VanDerWaalsContact C-N 3.35Å; I441-I443 PolarHBondContact O-N 3.12Å; I443-T445 VanDerWaalsContact C-N 3.27Å; I443-T445 PolarHBondContact O-N 3.38Å
444	L	91	Very high	82.7	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.063	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	10	-174	-62.1	179.8	0	0	0	114.8	I136 E140 Q143 M144 M147 L183 D442 R446	I136-L444 HydrophobicContact CD1-CD1 4.37Å; E140-L444 HydrophobicContact CB-CB 4.24Å; E140-L444 HydrophobicContact CB-CD1 3.95Å; E140-L444 HydrophobicContact CG-CB 3.95Å; E140-L444 HydrophobicContact CG-CD1 4.31Å; Q143-L444 WeakPolarHBondContact CG-O 3.44Å; M144-L444 HydrophobicContact CB-CD2 4.21Å; M144-L444 HydrophobicContact SD-CD2 3.92Å; M147-L444 HydrophobicContact CE-CD2 3.5Å; M147-L444 HydrophobicContact SD-CD2 3.9Å; L183-L444 HydrophobicContact CD2-CD1 3.7Å; D442-L444 PolarHBondContact O-N 3.48Å; D442-L444 VanDerWaalsContact O-N 3.11Å; L444-R446 PolarHBondContact O-N 3.36Å
445	T	86.4	Confident	81.3	Confident	51 Å²	51	47.6 Å²	47.6	31%	0.313	23%	0.232	S	C	.	.			trans	-97.7	91.4	-176	-42.6	0	0	0	0	112.4	I248 I443	I248-T445 PolarHBondContact N-O 2.96Å; I248-T445 WeakPolarHBondContact O-CB 3.38Å; I443-T445 VanDerWaalsContact C-N 3.27Å; I443-T445 PolarHBondContact O-N 3.38Å
446	R	83.7	Confident	80.1	Confident	118 Å²	118	51.6 Å²	51.6	45%	0.445	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-67.9	147.6	-180	-173.7	169	177.4	-143.4	3.8	114.1	Q143 L247 L444 G448	Q143-R446 HydrophobicContact CG-CB 4.27Å; L247-R446 HydrophobicContact CD2-CB 4.3Å; L444-R446 PolarHBondContact O-N 3.36Å; R446-G448 PolarHBondContact O-N 3.33Å
447	Y	79.3	Confident	78.9	Confident	22 Å²	22	58 Å²	58	9%	0.086	28%	0.282	C	S	.	.			trans	-74.9	63.4	171.5	-165	-120.7	0	0	0	112.6	N246 I248 K451 R452 Q455 P471	N246-Y447 VanDerWaalsContact O-CB 3.31Å; N246-Y447 WeakPolarHBondContact O-CB 3.26Å; N246-Y447 PolarHBondContact O-N 2.56Å; I248-Y447 HydrophobicContact CD1-CD2 3.62Å; I248-Y447 HydrophobicContact CD1-CE2 4.26Å; I248-Y447 HydrophobicContact CG1-CD2 4.27Å; Y447-K451 HydrophobicContact CD2-CB 3.62Å; Y447-K451 HydrophobicContact CD2-CD 4.23Å; Y447-K451 HydrophobicContact CE2-CB 3.64Å; Y447-R452 HydrophobicContact CD1-CG 4.12Å; Y447-R452 HydrophobicContact CE1-CG 3.46Å; Y447-R452 VanDerWaalsContact CE1-CG 3.46Å; Y447-R452 HydrophobicContact CE2-CG 4.45Å; Y447-Q455 WeakPolarHBondContact OH-CB 3.39Å; Y447-Q455 VanDerWaalsContact OH-CD 3.32Å; Y447-Q455 PolarHBondContact OH-OE1 3.05Å; Y447-P471 HydrophobicContact CD1-CG 4.34Å; Y447-P471 HydrophobicContact CG-CG 4.32Å
448	G	72.6	Confident	77.4	Confident	25 Å²	25	62.4 Å²	62.4	26%	0.258	30%	0.301	S	S	.	.			trans	-75.4	-179.7	-178.7	0	0	0	0	0	114.8	R446 R450 K451 R452	R446-G448 PolarHBondContact O-N 3.33Å; G448-R450 VanDerWaalsContact C-N 3.27Å; G448-R450 PolarHBondContact O-N 3.05Å; G448-K451 PolarHBondContact O-N 3.15Å; G448-K451 VanDerWaalsContact O-N 3.07Å; G448-R452 PolarHBondContact O-N 2.76Å
449	M	61.8	Low	76	Confident	142 Å²	142	65 Å²	65	70%	0.7	32%	0.317	S	S	*	.	H	α-helix	trans	-53.6	-41.5	175.6	-75.5	-179.3	166.6	0	0	112.7	K451 R452 T453	M449-K451 VanDerWaalsContact C-N 3.27Å; M449-K451 PolarHBondContact O-N 3.24Å; M449-R452 PolarHBondContact O-N 3.11Å; M449-T453 PolarHBondContact O-N 3.03Å; M449-T453 PolarHBondContact O-OG1 3.46Å
450	R	67.7	Low	74.8	Confident	178 Å²	178	70.8 Å²	70.8	67%	0.672	35%	0.352	S	S	*	.	H	α-helix	trans	-53.2	-44.3	176.5	-61.5	-177	-171.3	157.3	2.8	111.9	E139 G448 A454	E139-R450 IonicContact OE1-CZ 3.14Å; E139-R450 VanDerWaalsContact OE1-CZ 3.23Å; E139-R450 IonicContact OE1-NH1 3.99Å; E139-R450 PolarHBondContact OE1-NH1 3.24Å; E139-R450 IonicContact OE1-NH2 3.23Å; E139-R450 PolarHBondContact OE1-NH2 3.11Å; E139-R450 IonicContact OE2-CZ 2.59Å; E139-R450 IonicContact OE2-NH1 2.71Å; E139-R450 PolarHBondContact OE2-NH1 3.23Å; E139-R450 IonicContact OE2-NH2 3.8Å; G448-R450 VanDerWaalsContact C-N 3.27Å; G448-R450 PolarHBondContact O-N 3.05Å; R450-A454 WeakPolarHBondContact O-CB 3.36Å; R450-A454 PolarHBondContact O-N 2.94Å
451	K	67.4	Low	73.6	Confident	37 Å²	37	76.8 Å²	76.8	16%	0.161	38%	0.378	C	S	.	.	H	α-helix	trans	-76.6	-35.2	179.4	-65.9	-155.2	176.3	-175.8	0	113.1	I248 D249 Y447 G448 M449 A454 Q455 S468	I248-K451 HydrophobicContact CD1-CD 3.67Å; I248-K451 HydrophobicContact CG1-CD 4.09Å; D249-K451 IonicContact OD1-NZ 2.6Å; D249-K451 PolarHBondContact OD1-NZ 3.27Å; D249-K451 VanDerWaalsContact OD1-NZ 3.14Å; D249-K451 IonicContact OD2-NZ 2.71Å; D249-K451 PolarHBondContact OD2-NZ 2.81Å; Y447-K451 HydrophobicContact CD2-CB 3.62Å; Y447-K451 HydrophobicContact CD2-CD 4.23Å; Y447-K451 HydrophobicContact CE2-CB 3.64Å; G448-K451 PolarHBondContact O-N 3.15Å; G448-K451 VanDerWaalsContact O-N 3.07Å; M449-K451 VanDerWaalsContact C-N 3.27Å; M449-K451 PolarHBondContact O-N 3.24Å; K451-A454 PolarHBondContact O-N 2.88Å; K451-Q455 PolarHBondContact O-N 3.02Å; K451-S468 PolarHBondContact O-OG 3.11Å
452	R	66.1	Low	71.9	Confident	128 Å²	128	81.6 Å²	81.6	48%	0.483	40%	0.399	S	S	.	.	H	α-helix	trans	-61.3	-44.8	170.5	-74	-173.9	-78	165	-5.3	112	Y447 G448 M449 A454 Q455 T456	Y447-R452 HydrophobicContact CD1-CG 4.12Å; Y447-R452 HydrophobicContact CE1-CG 3.46Å; Y447-R452 VanDerWaalsContact CE1-CG 3.46Å; Y447-R452 HydrophobicContact CE2-CG 4.45Å; G448-R452 PolarHBondContact O-N 2.76Å; M449-R452 PolarHBondContact O-N 3.11Å; R452-A454 PolarHBondContact O-N 3.11Å; R452-Q455 WeakPolarHBondContact O-CB 3.36Å; R452-Q455 PolarHBondContact O-N 3.01Å; R452-T456 PolarHBondContact O-N 3.05Å; R452-T456 PolarHBondContact O-OG1 3.21Å; R452-T456 VanDerWaalsContact O-OG1 3.06Å
453	T	68.8	Low	70.3	Confident	96 Å²	96	81.1 Å²	81.1	59%	0.589	41%	0.406	S	S	*	.	H	α-helix	trans	-63.7	-40.7	174.6	-53.2	0	0	0	0	111.5	M449 Q455 T456 Y457	M449-T453 PolarHBondContact O-N 3.03Å; M449-T453 PolarHBondContact O-OG1 3.46Å; T453-Q455 VanDerWaalsContact C-N 3.34Å; T453-Q455 PolarHBondContact O-N 2.87Å; T453-T456 PolarHBondContact O-N 3.23Å; T453-Y457 WeakPolarHBondContact O-CB 3.28Å; T453-Y457 PolarHBondContact O-N 2.76Å
454	A	65.4	Low	68.5	Low	43 Å²	43	84.6 Å²	84.6	36%	0.355	44%	0.435	S	S	.	.	H	α-helix	trans	-64	-35.2	173.2	0	0	0	0	0	112.9	R450 K451 R452 K458	R450-A454 WeakPolarHBondContact O-CB 3.36Å; R450-A454 PolarHBondContact O-N 2.94Å; K451-A454 PolarHBondContact O-N 2.88Å; R452-A454 PolarHBondContact O-N 3.11Å; A454-K458 WeakPolarHBondContact O-CB 3.38Å; A454-K458 VanDerWaalsContact O-CG 3.31Å; A454-K458 WeakPolarHBondContact O-CG 3.5Å; A454-K458 PolarHBondContact O-N 3.49Å
455	Q	61.6	Low	66.6	Low	47 Å²	47	90.5 Å²	90.5	22%	0.22	47%	0.467	C	S	.	.	H	α-helix	trans	-61.3	-57.3	171.2	-169.3	179.6	33.2	0	0	109.6	Y447 K451 R452 T453 Y457 K458 T459 S468	Y447-Q455 WeakPolarHBondContact OH-CB 3.39Å; Y447-Q455 VanDerWaalsContact OH-CD 3.32Å; Y447-Q455 PolarHBondContact OH-OE1 3.05Å; K451-Q455 PolarHBondContact O-N 3.02Å; R452-Q455 WeakPolarHBondContact O-CB 3.36Å; R452-Q455 PolarHBondContact O-N 3.01Å; T453-Q455 VanDerWaalsContact C-N 3.34Å; T453-Q455 PolarHBondContact O-N 2.87Å; Q455-Y457 VanDerWaalsContact C-N 3.31Å; Q455-Y457 PolarHBondContact O-N 2.74Å; Q455-K458 PolarHBondContact O-N 3.43Å; Q455-K458 VanDerWaalsContact O-N 3.1Å; Q455-T459 WeakPolarHBondContact O-CB 3.31Å; Q455-T459 PolarHBondContact O-N 3.25Å; Q455-T459 PolarHBondContact O-OG1 2.7Å; Q455-T459 VanDerWaalsContact O-OG1 3.11Å; Q455-S468 VanDerWaalsContact CA-OG 3.25Å; Q455-S468 WeakPolarHBondContact CA-OG 3.35Å; Q455-S468 VanDerWaalsContact CB-OG 3.27Å; Q455-S468 WeakPolarHBondContact CB-OG 3.24Å; Q455-S468 VanDerWaalsContact CD-O 3.23Å; Q455-S468 VanDerWaalsContact CG-O 3.27Å; Q455-S468 WeakPolarHBondContact CG-O 3.07Å; Q455-S468 PolarHBondContact N-OG 2.92Å; Q455-S468 PolarHBondContact NE2-O 2.89Å
456	T	65.9	Low	64.8	Low	89 Å²	89	89.8 Å²	89.8	55%	0.546	47%	0.469	S	S	.	.	H	α-helix	trans	-54.6	-46.5	-179	-51.9	0	0	0	0	111.5	R452 T453 K458 T459 V460	R452-T456 PolarHBondContact O-N 3.05Å; R452-T456 PolarHBondContact O-OG1 3.21Å; R452-T456 VanDerWaalsContact O-OG1 3.06Å; T453-T456 PolarHBondContact O-N 3.23Å; T456-K458 PolarHBondContact O-N 2.84Å; T456-T459 PolarHBondContact O-N 2.99Å; T456-V460 HydrophobicContact CG2-CG2 4.48Å; T456-V460 WeakPolarHBondContact O-CB 3.25Å; T456-V460 WeakPolarHBondContact O-CG2 3.31Å; T456-V460 PolarHBondContact O-N 3.34Å
457	Y	66.7	Low	63	Low	141 Å²	141	84.7 Å²	84.7	55%	0.553	45%	0.454	S	S	*	.	H	α-helix	trans	-62.2	-43	177.6	-175.5	-98.1	0	0	0	113	T453 Q455 K461	T453-Y457 WeakPolarHBondContact O-CB 3.28Å; T453-Y457 PolarHBondContact O-N 2.76Å; Q455-Y457 VanDerWaalsContact C-N 3.31Å; Q455-Y457 PolarHBondContact O-N 2.74Å; Y457-K461 HydrophobicContact CD1-CD 4.34Å; Y457-K461 HydrophobicContact CE1-CD 3.7Å; Y457-K461 HydrophobicContact CE2-CD 4.49Å; Y457-K461 WeakPolarHBondContact O-CB 3.46Å; Y457-K461 PolarHBondContact O-N 2.92Å; Y457-K461 VanDerWaalsContact O-N 3.07Å; Y457-K461 VanDerWaalsContact OH-CE 3.26Å; Y457-K461 WeakPolarHBondContact OH-CE 3.16Å; Y457-K461 PolarHBondContact OH-NZ 3.18Å
458	K	62.6	Low	61.8	Low	93 Å²	93	84.8 Å²	84.8	40%	0.404	46%	0.457	S	S	.	.	H	α-helix	trans	-68	-43.2	177.2	-77.4	-180	170.4	-166.1	0	112.1	A454 Q455 T456 V460 K461 H462	A454-K458 WeakPolarHBondContact O-CB 3.38Å; A454-K458 VanDerWaalsContact O-CG 3.31Å; A454-K458 WeakPolarHBondContact O-CG 3.5Å; A454-K458 PolarHBondContact O-N 3.49Å; Q455-K458 PolarHBondContact O-N 3.43Å; Q455-K458 VanDerWaalsContact O-N 3.1Å; T456-K458 PolarHBondContact O-N 2.84Å; K458-V460 VanDerWaalsContact C-N 3.34Å; K458-V460 PolarHBondContact O-N 3Å; K458-K461 PolarHBondContact O-N 2.81Å; K458-K461 VanDerWaalsContact O-N 3.17Å; K458-H462 PolarHBondContact O-N 2.92Å
459	T	63.9	Low	61.4	Low	57 Å²	57	84.6 Å²	84.6	35%	0.35	45%	0.451	S	S	.	.	H	α-helix	trans	-62.7	-39.6	177.1	-61.3	0	0	0	0	111.9	Q455 T456 G463	Q455-T459 WeakPolarHBondContact O-CB 3.31Å; Q455-T459 PolarHBondContact O-N 3.25Å; Q455-T459 PolarHBondContact O-OG1 2.7Å; Q455-T459 VanDerWaalsContact O-OG1 3.11Å; T456-T459 PolarHBondContact O-N 2.99Å; T459-G463 WeakPolarHBondContact CA-O 3.23Å; T459-G463 CarbonylContact O-C 3.59Å; T459-G463 WeakPolarHBondContact O-CA 3.48Å; T459-G463 PolarHBondContact O-N 3.31Å
460	V	70.5	Confident	62.1	Low	121 Å²	121	82.8 Å²	82.8	73%	0.733	44%	0.439	S	S	*	.	H	α-helix	trans	-67.5	-33.6	174.1	168.3	0	0	0	0	112.1	T456 K458	T456-V460 HydrophobicContact CG2-CG2 4.48Å; T456-V460 WeakPolarHBondContact O-CB 3.25Å; T456-V460 WeakPolarHBondContact O-CG2 3.31Å; T456-V460 PolarHBondContact O-N 3.34Å; K458-V460 VanDerWaalsContact C-N 3.34Å; K458-V460 PolarHBondContact O-N 3Å
461	K	68.5	Low	62.7	Low	125 Å²	125	74.3 Å²	74.3	54%	0.543	41%	0.408	S	S	.	.	H	α-helix	trans	-86.3	-35.4	-178.3	-83.9	-164.1	162.5	-172.7	0	116	Y457 K458	Y457-K461 HydrophobicContact CD1-CD 4.34Å; Y457-K461 HydrophobicContact CE1-CD 3.7Å; Y457-K461 HydrophobicContact CE2-CD 4.49Å; Y457-K461 WeakPolarHBondContact O-CB 3.46Å; Y457-K461 PolarHBondContact O-N 2.92Å; Y457-K461 VanDerWaalsContact O-N 3.07Å; Y457-K461 VanDerWaalsContact OH-CE 3.26Å; Y457-K461 WeakPolarHBondContact OH-CE 3.16Å; Y457-K461 PolarHBondContact OH-NZ 3.18Å; K458-K461 PolarHBondContact O-N 2.81Å; K458-K461 VanDerWaalsContact O-N 3.17Å
462	H	58.3	Low	63.3	Low	137 Å²	137	76.2 Å²	76.2	63%	0.634	42%	0.417	S	S	*	.	H	α-helix	trans	-127.5	9.9	-167.6	-54	93.3	0	0	0	113.5	K458	K458-H462 PolarHBondContact O-N 2.92Å
463	G	54.6	Low	64.1	Low	39 Å²	39	74.8 Å²	74.8	40%	0.402	42%	0.415	S	S	.	.			trans	72.3	-178	-168.1	0	0	0	0	0	112.4	T459 D465	T459-G463 WeakPolarHBondContact CA-O 3.23Å; T459-G463 CarbonylContact O-C 3.59Å; T459-G463 WeakPolarHBondContact O-CA 3.48Å; T459-G463 PolarHBondContact O-N 3.31Å; G463-D465 VanDerWaalsContact C-N 3.26Å; G463-D465 PolarHBondContact O-N 3.34Å
464	A	56	Low	64.9	Low	75 Å²	75	70.9 Å²	70.9	62%	0.62	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-62.5	-30	-171.6	0	0	0	0	0	114	G466	A464-G466 PolarHBondContact O-N 3.2Å
465	D	51.1	Low	65.8	Low	137 Å²	137	68.8 Å²	68.8	73%	0.733	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-79.3	-14.4	-161.5	-57.7	-42.8	0	0	0	115.1	G463	G463-D465 VanDerWaalsContact C-N 3.26Å; G463-D465 PolarHBondContact O-N 3.34Å
466	G	48.5	Very low	67	Low	36 Å²	36	72.1 Å²	72.1	37%	0.371	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-102	-1.7	179.8	0	0	0	0	0	116.1	A464	A464-G466 PolarHBondContact O-N 3.2Å
467	G	46.3	Very low	68	Low	11 Å²	11	71.9 Å²	71.9	11%	0.113	37%	0.371	C	S	.	.	S	Bend	trans	-75.7	156.1	-172	0	0	0	0	0	114.8	V469	G467-V469 PolarHBondContact O-N 3.45Å; G467-V469 VanDerWaalsContact O-N 3.15Å
468	S	53.5	Low	68.9	Low	23 Å²	23	65.2 Å²	65.2	16%	0.161	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-60.1	120.5	169.3	43.3	0	0	0	0	109.7	K451 Q455	K451-S468 PolarHBondContact O-OG 3.11Å; Q455-S468 VanDerWaalsContact CA-OG 3.25Å; Q455-S468 WeakPolarHBondContact CA-OG 3.35Å; Q455-S468 VanDerWaalsContact CB-OG 3.27Å; Q455-S468 WeakPolarHBondContact CB-OG 3.24Å; Q455-S468 VanDerWaalsContact CD-O 3.23Å; Q455-S468 VanDerWaalsContact CG-O 3.27Å; Q455-S468 WeakPolarHBondContact CG-O 3.07Å; Q455-S468 PolarHBondContact N-OG 2.92Å; Q455-S468 PolarHBondContact NE2-O 2.89Å
469	V	63.8	Low	70.1	Confident	22 Å²	22	62.3 Å²	62.3	13%	0.133	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-72.2	136.8	-168.3	-174.6	0	0	0	0	109.4	G467 F473 Y474	G467-V469 PolarHBondContact O-N 3.45Å; G467-V469 VanDerWaalsContact O-N 3.15Å; V469-F473 VanDerWaalsContact CG1-C 3.47Å; V469-F473 HydrophobicContact CG1-CB 3.23Å; V469-F473 HydrophobicContact CG1-CG 4.46Å; V469-Y474 HydrophobicContact CB-CD2 4.46Å; V469-Y474 VanDerWaalsContact CG1-N 3.33Å
470	K	76.8	Confident	71.2	Confident	103 Å²	103	64.2 Å²	64.2	45%	0.448	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-61.8	153.2	173.8	-56	-177	177	-178.4	0	109.8	E472 F473 Y474	K470-E472 WeakPolarHBondContact CB-OE2 3.37Å; K470-E472 PolarHBondContact O-N 3.3Å; K470-E472 VanDerWaalsContact O-N 3.08Å; K470-F473 HydrophobicContact CB-CD2 4.22Å; K470-F473 HydrophobicContact CD-CE2 4.5Å; K470-F473 PolarHBondContact O-N 2.75Å; K470-Y474 PolarHBondContact O-N 3.38Å
471	P	80.5	Confident	71.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-49.6	-41.3	-175.6	-25.3	32.1	0	0	0	114.2	Q243 N246 I248 Y447 F473 Y474 G475	Q243-P471 HydrophobicContact CG-CB 4.41Å; N246-P471 HydrophobicContact CB-CG 4.49Å; I248-P471 HydrophobicContact CG2-CB 3.86Å; I248-P471 HydrophobicContact CG2-CG 3.8Å; Y447-P471 HydrophobicContact CD1-CG 4.34Å; Y447-P471 HydrophobicContact CG-CG 4.32Å; P471-F473 VanDerWaalsContact C-N 3.28Å; P471-F473 PolarHBondContact O-N 3.12Å; P471-Y474 PolarHBondContact O-N 3.28Å; P471-G475 PolarHBondContact O-N 3.22Å
472	E	80.5	Confident	72.7	Confident	76 Å²	76	54.4 Å²	54.4	36%	0.355	29%	0.287	S	S	.	.	H	α-helix	trans	-68.2	-26	-175.8	-42	77.3	-166.6	0	0	113	K470 R476	K470-E472 WeakPolarHBondContact CB-OE2 3.37Å; K470-E472 PolarHBondContact O-N 3.3Å; K470-E472 VanDerWaalsContact O-N 3.08Å; E472-R476 PolarHBondContact O-NE 3.24Å; E472-R476 PolarHBondContact O-NH2 3.02Å
473	F	83.3	Confident	74	Confident	99 Å²	99	53.2 Å²	53.2	43%	0.434	28%	0.282	S	S	.	.	H	α-helix	trans	-92.6	-28.5	174.4	-69.3	-89.8	0	0	0	111.5	V469 K470 P471 R476 R477	V469-F473 VanDerWaalsContact CG1-C 3.47Å; V469-F473 HydrophobicContact CG1-CB 3.23Å; V469-F473 HydrophobicContact CG1-CG 4.46Å; K470-F473 HydrophobicContact CB-CD2 4.22Å; K470-F473 HydrophobicContact CD-CE2 4.5Å; K470-F473 PolarHBondContact O-N 2.75Å; P471-F473 VanDerWaalsContact C-N 3.28Å; P471-F473 PolarHBondContact O-N 3.12Å; F473-R476 VanDerWaalsContact CD1-NH2 3.3Å; F473-R477 VanDerWaalsContact O-CG 3.32Å; F473-R477 WeakPolarHBondContact O-CG 3.42Å; F473-R477 PolarHBondContact O-N 3.21Å
474	Y	84.3	Confident	75.4	Confident	13 Å²	13	58 Å²	58	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-67	-44.5	178.5	-173.9	-91.6	0	0	0	111.2	S203 I248 D249 Y250 V469 K470 P471 L478	S203-Y474 WeakPolarHBondContact OG-CD2 3.3Å; S203-Y474 WeakPolarHBondContact OG-CE2 3.5Å; S203-Y474 VanDerWaalsContact OG-CZ 3.31Å; S203-Y474 PolarHBondContact OG-O 3.1Å; I248-Y474 HydrophobicContact CB-CD1 4.34Å; I248-Y474 HydrophobicContact CB-CG 4.3Å; I248-Y474 HydrophobicContact CG2-CG 4.33Å; D249-Y474 WeakPolarHBondContact CA-OH 3.06Å; Y250-Y474 HydrophobicContact CD1-CD1 4.28Å; Y250-Y474 HydrophobicContact CD1-CE1 4.01Å; Y250-Y474 HydrophobicContact CD2-CD1 4.47Å; Y250-Y474 AromaticContact CD2-CE1 3.88Å; Y250-Y474 HydrophobicContact CD2-CE1 3.88Å; Y250-Y474 AromaticContact CE1-CD1 3.75Å; Y250-Y474 HydrophobicContact CE1-CD1 3.75Å; Y250-Y474 AromaticContact CE1-CE1 3.93Å; Y250-Y474 HydrophobicContact CE1-CE1 3.93Å; Y250-Y474 AromaticContact CE2-CD1 3.96Å; Y250-Y474 HydrophobicContact CE2-CD1 3.96Å; Y250-Y474 AromaticContact CE2-CE1 3.79Å; Y250-Y474 HydrophobicContact CE2-CE1 3.79Å; Y250-Y474 AromaticContact CG-CE1 4Å; Y250-Y474 HydrophobicContact CG-CE1 4Å; Y250-Y474 AromaticContact CZ-CD1 3.58Å; Y250-Y474 AromaticContact CZ-CE1 3.83Å; Y250-Y474 PolarHBondContact O-OH 3.45Å; V469-Y474 HydrophobicContact CB-CD2 4.46Å; V469-Y474 VanDerWaalsContact CG1-N 3.33Å; K470-Y474 PolarHBondContact O-N 3.38Å; P471-Y474 PolarHBondContact O-N 3.28Å; Y474-L478 PolarHBondContact O-N 3.31Å
475	G	85.4	Confident	76.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-47.2	177.7	0	0	0	0	0	113.3	Y250 P471 R477 L478 L479	Y250-G475 VanDerWaalsContact OH-CA 3.23Å; Y250-G475 WeakPolarHBondContact OH-CA 3.08Å; P471-G475 PolarHBondContact O-N 3.22Å; G475-R477 VanDerWaalsContact C-N 3.32Å; G475-R477 PolarHBondContact O-N 2.9Å; G475-L478 WeakPolarHBondContact O-CB 3.49Å; G475-L478 PolarHBondContact O-N 2.77Å; G475-L479 PolarHBondContact O-N 3.47Å
476	R	86.9	Confident	78.2	Confident	116 Å²	116	48.3 Å²	48.3	44%	0.438	23%	0.232	S	C	.	.	H	α-helix	trans	-56.5	-44.1	177.6	-81.4	-176	-71.9	161.6	-0.9	112.7	E472 F473 L478 L479 E480	E472-R476 PolarHBondContact O-NE 3.24Å; E472-R476 PolarHBondContact O-NH2 3.02Å; F473-R476 VanDerWaalsContact CD1-NH2 3.3Å; R476-L478 VanDerWaalsContact C-N 3.28Å; R476-L478 PolarHBondContact O-N 3.13Å; R476-L479 PolarHBondContact O-N 3.1Å; R476-E480 WeakPolarHBondContact O-CB 3.38Å; R476-E480 VanDerWaalsContact O-CG 3.29Å; R476-E480 WeakPolarHBondContact O-CG 3.35Å; R476-E480 PolarHBondContact O-N 2.67Å
477	R	85.3	Confident	79.6	Confident	84 Å²	84	51.1 Å²	51.1	32%	0.317	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-32.8	175	-73.1	176.3	179	-171.5	-0.8	113.6	F473 G475 F481	F473-R477 VanDerWaalsContact O-CG 3.32Å; F473-R477 WeakPolarHBondContact O-CG 3.42Å; F473-R477 PolarHBondContact O-N 3.21Å; G475-R477 VanDerWaalsContact C-N 3.32Å; G475-R477 PolarHBondContact O-N 2.9Å; R477-F481 VanDerWaalsContact O-CB 3.26Å; R477-F481 WeakPolarHBondContact O-CB 3.45Å; R477-F481 PolarHBondContact O-N 3.4Å; R477-F481 VanDerWaalsContact O-N 3.12Å
478	L	86.6	Confident	81.2	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-43.6	174.8	-174.2	65.6	0	0	0	110.6	I239 Y250 L252 Y474 G475 R476 F481 V482	I239-L478 HydrophobicContact CD1-CB 4.43Å; I239-L478 HydrophobicContact CD1-CD2 4.44Å; Y250-L478 HydrophobicContact CD2-CD2 3.89Å; Y250-L478 HydrophobicContact CE2-CD2 3.65Å; L252-L478 HydrophobicContact CB-CD1 4.28Å; Y474-L478 PolarHBondContact O-N 3.31Å; G475-L478 WeakPolarHBondContact O-CB 3.49Å; G475-L478 PolarHBondContact O-N 2.77Å; R476-L478 VanDerWaalsContact C-N 3.28Å; R476-L478 PolarHBondContact O-N 3.13Å; L478-F481 PolarHBondContact O-N 3.36Å; L478-V482 HydrophobicContact CD1-CG2 4.38Å; L478-V482 HydrophobicContact CG-CG2 4.43Å; L478-V482 WeakPolarHBondContact O-CB 3.5Å; L478-V482 WeakPolarHBondContact O-CG2 3.23Å; L478-V482 PolarHBondContact O-N 2.99Å
479	L	88.6	Confident	82.7	Confident	33 Å²	33	54.7 Å²	54.7	17%	0.173	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-50.7	177.2	-175.3	67	0	0	0	111.7	L232 L235 E236 I239 G475 R476 F481 V482 E483	L232-L479 HydrophobicContact CD2-CD1 4.25Å; L235-L479 HydrophobicContact CD2-CD1 4Å; L235-L479 HydrophobicContact CG-CD1 4.09Å; E236-L479 HydrophobicContact CG-CD1 3.87Å; E236-L479 HydrophobicContact CG-CD2 3.63Å; E236-L479 HydrophobicContact CG-CG 4.42Å; I239-L479 HydrophobicContact CD1-CB 3.99Å; G475-L479 PolarHBondContact O-N 3.47Å; R476-L479 PolarHBondContact O-N 3.1Å; L479-F481 VanDerWaalsContact C-N 3.31Å; L479-F481 PolarHBondContact O-N 2.96Å; L479-V482 PolarHBondContact O-N 3.24Å; L479-E483 WeakPolarHBondContact O-CB 3.29Å; L479-E483 PolarHBondContact O-N 3.06Å
480	E	86.9	Confident	83.7	Confident	96 Å²	96	56.5 Å²	56.5	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-57.5	-41.2	176.9	-71.2	162.1	-166	0	0	112.1	R476 Q484	R476-E480 WeakPolarHBondContact O-CB 3.38Å; R476-E480 VanDerWaalsContact O-CG 3.29Å; R476-E480 WeakPolarHBondContact O-CG 3.35Å; R476-E480 PolarHBondContact O-N 2.67Å; E480-Q484 VanDerWaalsContact O-CG 3.28Å; E480-Q484 WeakPolarHBondContact O-CG 3.46Å; E480-Q484 PolarHBondContact O-N 2.98Å; E480-Q484 PolarHBondContact O-NE2 3.1Å
481	F	83.5	Confident	84.2	Confident	36 Å²	36	53.8 Å²	53.8	16%	0.158	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-44.9	176.5	-178.2	-92	0	0	0	111.6	L201 F214 L215 R477 L478 L479 Q484 C485	L201-F481 HydrophobicContact CB-CE1 4.43Å; L201-F481 HydrophobicContact CD1-CD1 4.41Å; L201-F481 HydrophobicContact CD1-CE1 3.79Å; L201-F481 HydrophobicContact CD2-CE1 3.58Å; L201-F481 HydrophobicContact CD2-CZ 3.93Å; L201-F481 HydrophobicContact CG-CE1 4.13Å; F214-F481 HydrophobicContact CD1-CE1 4.44Å; F214-F481 HydrophobicContact CD1-CZ 4.3Å; L215-F481 HydrophobicContact CD1-CE2 4.08Å; L215-F481 HydrophobicContact CD2-CE2 4.36Å; L215-F481 HydrophobicContact CD2-CZ 4.4Å; L215-F481 HydrophobicContact CG-CE2 4.25Å; L215-F481 HydrophobicContact CG-CZ 4.32Å; R477-F481 VanDerWaalsContact O-CB 3.26Å; R477-F481 WeakPolarHBondContact O-CB 3.45Å; R477-F481 PolarHBondContact O-N 3.4Å; R477-F481 VanDerWaalsContact O-N 3.12Å; L478-F481 PolarHBondContact O-N 3.36Å; L479-F481 VanDerWaalsContact C-N 3.31Å; L479-F481 PolarHBondContact O-N 2.96Å; F481-Q484 PolarHBondContact O-N 2.72Å; F481-C485 WeakPolarHBondContact CE1-SG 3.43Å; F481-C485 PolarHBondContact O-N 2.8Å; F481-C485 PolarHBondContact O-SG 3.27Å
482	V	86	Confident	84.4	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-40.2	-179.7	171.7	0	0	0	0	111.3	L232 L235 L252 L478 L479 Q484 C485 I486	L232-V482 HydrophobicContact CD2-CG1 4.35Å; L235-V482 HydrophobicContact CD2-CB 3.94Å; L235-V482 HydrophobicContact CD2-CG1 3.67Å; L235-V482 HydrophobicContact CD2-CG2 4.1Å; L252-V482 HydrophobicContact CD2-CG1 4.33Å; L252-V482 HydrophobicContact CD2-CG2 3.49Å; L252-V482 VanDerWaalsContact CD2-CG2 3.49Å; L478-V482 HydrophobicContact CD1-CG2 4.38Å; L478-V482 HydrophobicContact CG-CG2 4.43Å; L478-V482 WeakPolarHBondContact O-CB 3.5Å; L478-V482 WeakPolarHBondContact O-CG2 3.23Å; L478-V482 PolarHBondContact O-N 2.99Å; L479-V482 PolarHBondContact O-N 3.24Å; V482-Q484 VanDerWaalsContact C-N 3.29Å; V482-Q484 PolarHBondContact O-N 3.12Å; V482-C485 WeakPolarHBondContact O-CB 3.49Å; V482-C485 PolarHBondContact O-N 3.15Å; V482-I486 HydrophobicContact CG1-CD1 3.8Å; V482-I486 VanDerWaalsContact O-CD1 3.24Å; V482-I486 WeakPolarHBondContact O-CD1 3.28Å; V482-I486 VanDerWaalsContact O-CG1 3.31Å; V482-I486 WeakPolarHBondContact O-CG1 3.48Å
483	E	86.6	Confident	84.6	Confident	112 Å²	112	55.8 Å²	55.8	52%	0.523	25%	0.252	S	S	.	.	H	α-helix	trans	-59.1	-39.6	174.5	-172.8	175.8	-156.6	0	0	112	L232 L479 C485	L232-E483 HydrophobicContact CD2-CB 4.45Å; L479-E483 WeakPolarHBondContact O-CB 3.29Å; L479-E483 PolarHBondContact O-N 3.06Å; E483-C485 VanDerWaalsContact C-N 3.27Å; E483-C485 PolarHBondContact O-N 3.42Å
484	Q	83.8	Confident	84.7	Confident	139 Å²	139	52.7 Å²	52.7	65%	0.65	24%	0.239	S	C	*	.	H	α-helix	trans	-69.8	-20.4	175.3	-69.3	167.7	31.6	0	0	113.9	E480 F481 V482	E480-Q484 VanDerWaalsContact O-CG 3.28Å; E480-Q484 WeakPolarHBondContact O-CG 3.46Å; E480-Q484 PolarHBondContact O-N 2.98Å; E480-Q484 PolarHBondContact O-NE2 3.1Å; F481-Q484 PolarHBondContact O-N 2.72Å; V482-Q484 VanDerWaalsContact C-N 3.29Å; V482-Q484 PolarHBondContact O-N 3.12Å
485	C	81.7	Confident	84.8	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-86.8	-10.4	-178.2	-68	0	0	0	0	114.1	F214 M221 F481 V482 E483	F214-C485 HydrophobicContact CE1-CB 3.76Å; F214-C485 WeakPolarHBondContact CE1-SG 3.37Å; F214-C485 HydrophobicContact CZ-CB 4.31Å; M221-C485 PolarHBondContact N-O 3.36Å; F481-C485 WeakPolarHBondContact CE1-SG 3.43Å; F481-C485 PolarHBondContact O-N 2.8Å; F481-C485 PolarHBondContact O-SG 3.27Å; V482-C485 WeakPolarHBondContact O-CB 3.49Å; V482-C485 PolarHBondContact O-N 3.15Å; E483-C485 VanDerWaalsContact C-N 3.27Å; E483-C485 PolarHBondContact O-N 3.42Å
486	I	83.7	Confident	84.7	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.015	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-113	127.4	-173.9	-52.3	151.8	0	0	0	109.1	M221 I223 K228 M231 L232 V482	M221-I486 HydrophobicContact CB-CG1 4.33Å; M221-I486 WeakPolarHBondContact O-CA 3.08Å; M221-I486 VanDerWaalsContact O-CG2 3.29Å; M221-I486 WeakPolarHBondContact O-CG2 3.47Å; M221-I486 HydrophobicContact SD-CG1 4.46Å; I223-I486 HydrophobicContact CB-CG2 4.08Å; I223-I486 HydrophobicContact CD1-CG2 4.36Å; I223-I486 HydrophobicContact CG1-CG2 4.49Å; K228-I486 HydrophobicContact CB-CG2 4.35Å; K228-I486 HydrophobicContact CD-CB 4.39Å; K228-I486 HydrophobicContact CD-CG2 3.62Å; K228-I486 HydrophobicContact CG-CG2 3.84Å; K228-I486 PolarHBondContact NZ-O 3.47Å; M231-I486 HydrophobicContact CE-CD1 3.25Å; M231-I486 HydrophobicContact CE-CG1 3.93Å; L232-I486 HydrophobicContact CD2-CD1 4.12Å; L232-I486 HydrophobicContact CG-CD1 4.49Å; V482-I486 HydrophobicContact CG1-CD1 3.8Å; V482-I486 VanDerWaalsContact O-CD1 3.24Å; V482-I486 WeakPolarHBondContact O-CD1 3.28Å; V482-I486 VanDerWaalsContact O-CG1 3.31Å; V482-I486 WeakPolarHBondContact O-CG1 3.48Å
487	D	77.1	Confident	84.5	Confident	94 Å²	94	55.4 Å²	55.4	50%	0.503	26%	0.26	S	S	.	.			trans	-90.4	0	167.6	-87.7	-9.3	0	0	0	110.2	K220 M221 I223 K228	K220-D487 HydrophobicContact CB-CB 3.78Å; K220-D487 WeakPolarHBondContact CB-OD2 3.48Å; K220-D487 VanDerWaalsContact CD-OD2 3.3Å; K220-D487 WeakPolarHBondContact CD-OD2 3.34Å; K220-D487 HydrophobicContact CG-CB 4.39Å; K220-D487 WeakPolarHBondContact CG-OD1 3.41Å; K220-D487 WeakPolarHBondContact CG-OD2 3.46Å; K220-D487 IonicContact NZ-OD1 2.69Å; K220-D487 PolarHBondContact NZ-OD1 3.49Å; K220-D487 IonicContact NZ-OD2 2.69Å; K220-D487 PolarHBondContact NZ-OD2 3.21Å; M221-D487 PolarHBondContact O-N 3.14Å; M221-D487 VanDerWaalsContact O-N 3.1Å; I223-D487 PolarHBondContact N-O 3.42Å; K228-D487 PolarHBondContact NZ-OXT 3.32Å

Retrieved 487 of 487 residues in 264.1 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).