G4V9R9_SCHMA Loading...

Nondiscriminating glutamyl-tRNA synthetase EARS2, mitochondrial

AlphaFold DB , UniProt , Accession G4V9R9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 583 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	32.6	Very low	34.6	Very low	245 Å²	245	152 Å²	152	100%	1.207	80%	0.804	S	S	*	*				0	129.4	0	-79.8	176.1	172.8	0	0	108.1
2	A	32.3	Very low	35.8	Very low	89 Å²	89	159.3 Å²	159.3	74%	0.736	81%	0.812	S	S	*	*			trans	-63.8	129.1	-163.3	0	0	0	0	0	113.9	T4	A2-T4 HydrophobicContact CB-CG2 4.46Å
3	L	31.9	Very low	36.6	Very low	180 Å²	180	155.4 Å²	155.4	94%	0.942	80%	0.801	S	S	*	*			trans	-93.7	89.3	163.5	-75.3	166.4	0	0	0	108.1	S5	L3-S5 PolarHBondContact O-N 3.34Å
4	T	33.6	Very low	37.2	Very low	126 Å²	126	150.1 Å²	150.1	77%	0.773	78%	0.775	S	S	*	*			trans	-76.9	101.5	176.4	35.7	0	0	0	0	111.2	A2	A2-T4 HydrophobicContact CB-CG2 4.46Å
5	S	36.7	Very low	37.6	Very low	93 Å²	93	152.7 Å²	152.7	65%	0.65	77%	0.773	S	S	*	*			trans	38	89.8	131.1	163.6	0	0	0	0	117.3	L3 R7	L3-S5 PolarHBondContact O-N 3.34Å; S5-R7 PolarHBondContact O-N 3.03Å
6	S	34.4	Very low	38.2	Very low	112 Å²	112	153.8 Å²	153.8	78%	0.783	77%	0.771	S	S	*	*			trans	-74.5	101.1	154.8	47.2	0	0	0	0	109.7	I8	S6-I8 PolarHBondContact O-N 2.87Å
7	R	36	Very low	38.6	Very low	230 Å²	230	152.1 Å²	152.1	87%	0.868	76%	0.764	S	S	*	*			trans	-67.5	97.9	174.7	-75.6	178.9	174.6	177.5	-2.4	110.3	S5 R9	S5-R7 PolarHBondContact O-N 3.03Å; R7-R9 PolarHBondContact O-N 3Å; R7-R9 VanDerWaalsContact O-N 3.16Å
8	I	35.5	Very low	39	Very low	142 Å²	142	147.6 Å²	147.6	73%	0.728	75%	0.748	S	S	*	*			trans	-68.8	107.9	168	-63	173.8	0	0	0	108.1	S6 L10	S6-I8 PolarHBondContact O-N 2.87Å; I8-L10 HydrophobicContact CG2-CG 4.44Å; I8-L10 PolarHBondContact O-N 3.35Å
9	R	34.9	Very low	39.3	Very low	248 Å²	248	146.2 Å²	146.2	94%	0.936	74%	0.738	S	S	*	*			trans	-67	96	169.6	-87.2	179.6	174.1	171.1	-1.4	108.9	R7	R7-R9 PolarHBondContact O-N 3Å; R7-R9 VanDerWaalsContact O-N 3.16Å
10	L	34.4	Very low	39.6	Very low	131 Å²	131	147.2 Å²	147.2	69%	0.686	74%	0.738	S	S	*	*			trans	-71.7	125.7	170.4	-76.5	156.6	0	0	0	109.7	I8	I8-L10 HydrophobicContact CG2-CG 4.44Å; I8-L10 PolarHBondContact O-N 3.35Å
11	S	39	Very low	39.9	Very low	76 Å²	76	149 Å²	149	53%	0.531	74%	0.737	S	S	.	*			trans	-66.7	152.7	-179.8	64.1	0	0	0	0	111.8	T13 N14	S11-T13 PolarHBondContact O-N 2.93Å; S11-N14 PolarHBondContact O-N 3.12Å
12	R	48.7	Very low	40.6	Very low	239 Å²	239	142 Å²	142	90%	0.902	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-15.3	-175.5	-84.3	-179.4	167.4	178	-4.2	115	N14	R12-N14 VanDerWaalsContact C-N 3.32Å; R12-N14 PolarHBondContact O-N 3.37Å
13	T	46.5	Very low	41.1	Very low	109 Å²	109	142.5 Å²	142.5	67%	0.669	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-24.9	179.4	-14.4	0	0	0	0	113.2	S11	S11-T13 PolarHBondContact O-N 2.93Å
14	N	44.4	Very low	41.6	Very low	81 Å²	81	141.3 Å²	141.3	43%	0.433	68%	0.681	S	S	.	*	H	α-helix	trans	-81	-15.3	-178.6	-83.9	-23.9	0	0	0	114.9	S11 R12 F16 C18	S11-N14 PolarHBondContact O-N 3.12Å; R12-N14 VanDerWaalsContact C-N 3.32Å; R12-N14 PolarHBondContact O-N 3.37Å; N14-F16 VanDerWaalsContact C-N 3.33Å; N14-F16 PolarHBondContact O-N 3.14Å; N14-C18 PolarHBondContact O-N 3.11Å
15	Y	43.7	Very low	41.8	Very low	190 Å²	190	139.1 Å²	139.1	75%	0.745	67%	0.67	S	S	*	*	H	α-helix	trans	-70.7	-30.3	178.3	-113.3	-90	0	0	0	112.6	Q19	Y15-Q19 PolarHBondContact O-N 2.8Å
16	F	46.2	Very low	42	Very low	170 Å²	170	142 Å²	142	75%	0.746	67%	0.673	S	S	*	*	H	α-helix	trans	-74.7	-31.4	179.7	-114.1	-86.4	0	0	0	113.2	N14	N14-F16 VanDerWaalsContact C-N 3.33Å; N14-F16 PolarHBondContact O-N 3.14Å
17	L	46.3	Very low	42.2	Very low	125 Å²	125	145.8 Å²	145.8	65%	0.654	68%	0.675	S	S	*	*	H	α-helix	trans	-72.7	-34.4	175.8	-89.1	150.8	0	0	0	112	K20 Y21	L17-K20 PolarHBondContact O-N 3.38Å; L17-Y21 PolarHBondContact O-N 3.42Å
18	C	45.4	Very low	42.2	Very low	71 Å²	71	138 Å²	138	48%	0.48	66%	0.655	S	S	.	*	H	α-helix	trans	-70.5	-36	-179.2	-151	0	0	0	0	112.7	N14 Y21 I22	N14-C18 PolarHBondContact O-N 3.11Å; C18-Y21 PolarHBondContact O-N 3.36Å; C18-I22 WeakPolarHBondContact O-CG1 3.35Å; C18-I22 PolarHBondContact O-N 3.45Å
19	Q	44	Very low	42.2	Very low	120 Å²	120	140.1 Å²	140.1	56%	0.561	66%	0.659	S	S	*	*	H	α-helix	trans	-69.4	-35.9	176.2	-92.9	-175.1	-12.3	0	0	113.3	Y15 Y21 I22 I23	Y15-Q19 PolarHBondContact O-N 2.8Å; Q19-Y21 VanDerWaalsContact C-N 3.32Å; Q19-Y21 PolarHBondContact O-N 3.09Å; Q19-I22 PolarHBondContact O-N 3.38Å; Q19-I23 WeakPolarHBondContact O-CB 3.43Å; Q19-I23 VanDerWaalsContact O-CG1 3.28Å; Q19-I23 WeakPolarHBondContact O-CG1 3.35Å; Q19-I23 PolarHBondContact O-N 3.04Å
20	K	46.1	Very low	42.4	Very low	167 Å²	167	135.8 Å²	135.8	73%	0.726	65%	0.654	S	S	*	*	H	α-helix	trans	-67	-34.5	173.1	-90.8	-170.1	173.8	-177.4	0	112.2	L17 F24	L17-K20 PolarHBondContact O-N 3.38Å; K20-F24 VanDerWaalsContact O-CB 3.23Å; K20-F24 WeakPolarHBondContact O-CB 3.34Å; K20-F24 PolarHBondContact O-N 3.28Å
21	Y	44.8	Very low	42.9	Very low	184 Å²	184	135 Å²	135	72%	0.722	65%	0.654	S	S	*	*	H	α-helix	trans	-68	-40.3	176.9	-136.5	-93	0	0	0	112.1	L17 C18 Q19 C25	L17-Y21 PolarHBondContact O-N 3.42Å; C18-Y21 PolarHBondContact O-N 3.36Å; Q19-Y21 VanDerWaalsContact C-N 3.32Å; Q19-Y21 PolarHBondContact O-N 3.09Å; Y21-C25 PolarHBondContact O-N 3.44Å
22	I	47.1	Very low	43.1	Very low	98 Å²	98	140.2 Å²	140.2	50%	0.503	67%	0.67	S	S	.	*	H	α-helix	trans	-73.3	-38.4	178.9	-64.7	171	0	0	0	111.8	C18 Q19 C25 Q26	C18-I22 WeakPolarHBondContact O-CG1 3.35Å; C18-I22 PolarHBondContact O-N 3.45Å; Q19-I22 PolarHBondContact O-N 3.38Å; I22-C25 PolarHBondContact O-N 2.69Å; I22-Q26 PolarHBondContact O-N 3.37Å
23	I	44.1	Very low	43.4	Very low	100 Å²	100	135.8 Å²	135.8	51%	0.513	66%	0.663	S	S	.	*	H	α-helix	trans	-73.6	-30.8	178.6	-65.2	171.2	0	0	0	111.5	Q19 Q26 K27	Q19-I23 WeakPolarHBondContact O-CB 3.43Å; Q19-I23 VanDerWaalsContact O-CG1 3.28Å; Q19-I23 WeakPolarHBondContact O-CG1 3.35Å; Q19-I23 PolarHBondContact O-N 3.04Å; I23-Q26 PolarHBondContact O-N 2.91Å; I23-K27 PolarHBondContact O-N 3.08Å
24	F	41.7	Very low	44.4	Very low	156 Å²	156	134.1 Å²	134.1	68%	0.684	66%	0.656	S	S	*	*	H	α-helix	trans	-67.9	-37.9	173.2	-166.1	-102.7	0	0	0	111.6	K20 Q26 C28	K20-F24 VanDerWaalsContact O-CB 3.23Å; K20-F24 WeakPolarHBondContact O-CB 3.34Å; K20-F24 PolarHBondContact O-N 3.28Å; F24-Q26 VanDerWaalsContact C-N 3.32Å; F24-Q26 PolarHBondContact O-N 3.33Å; F24-C28 PolarHBondContact O-N 2.93Å
25	C	37.6	Very low	46.5	Very low	80 Å²	80	134.5 Å²	134.5	54%	0.541	66%	0.662	S	S	.	*	H	α-helix	trans	-70.3	-21.2	174	-77.4	0	0	0	0	114.4	Y21 I22	Y21-C25 PolarHBondContact O-N 3.44Å; I22-C25 PolarHBondContact O-N 2.69Å
26	Q	41.3	Very low	49.1	Very low	153 Å²	153	126.7 Å²	126.7	72%	0.715	63%	0.633	S	S	*	*	H	α-helix	trans	-87.1	-23.8	176.5	-79.2	-175.4	-25.4	0	0	114.1	I22 I23 F24	I22-Q26 PolarHBondContact O-N 3.37Å; I23-Q26 PolarHBondContact O-N 2.91Å; F24-Q26 VanDerWaalsContact C-N 3.32Å; F24-Q26 PolarHBondContact O-N 3.33Å
27	K	38.1	Very low	51.6	Low	191 Å²	191	119.1 Å²	119.1	83%	0.83	60%	0.6	S	S	*	*	H	α-helix	trans	-88	-24.8	177	-102.3	-176.4	176.3	-178.9	0	114	I23 K29	I23-K27 PolarHBondContact O-N 3.08Å; K27-K29 VanDerWaalsContact C-N 3.25Å; K27-K29 PolarHBondContact O-N 2.99Å; K27-K29 VanDerWaalsContact O-N 3.11Å
28	C	36.8	Very low	54	Low	66 Å²	66	113.1 Å²	113.1	45%	0.446	57%	0.569	S	S	.	*	S	Bend	trans	-81	83.7	158.7	-65.1	0	0	0	0	106.9	F24 L30	F24-C28 PolarHBondContact O-N 2.93Å; C28-L30 PolarHBondContact O-N 3.47Å
29	K	36.2	Very low	56.6	Low	187 Å²	187	110.2 Å²	110.2	81%	0.813	55%	0.548	S	S	*	.			trans	-44.3	105.7	148.5	-89.1	-179.4	175	-179.9	0	104.1	K27 T31	K27-K29 VanDerWaalsContact C-N 3.25Å; K27-K29 PolarHBondContact O-N 2.99Å; K27-K29 VanDerWaalsContact O-N 3.11Å; K29-T31 PolarHBondContact O-N 2.89Å
30	L	39	Very low	59.2	Low	158 Å²	158	105 Å²	105	83%	0.827	52%	0.523	S	S	*	.			trans	-52.7	96.2	173.4	-74.4	152.7	0	0	0	103.8	C28 E32	C28-L30 PolarHBondContact O-N 3.47Å; L30-E32 PolarHBondContact O-N 2.86Å
31	T	43.3	Very low	61.6	Low	113 Å²	113	98.2 Å²	98.2	69%	0.693	50%	0.498	S	S	*	.			trans	-54.3	106.3	155.1	48.3	0	0	0	0	101.2	K29 I33	K29-T31 PolarHBondContact O-N 2.89Å; T31-I33 WeakPolarHBondContact O-CG1 3.38Å; T31-I33 PolarHBondContact O-N 3.28Å
32	E	43.9	Very low	64.1	Low	186 Å²	186	90.4 Å²	90.4	87%	0.869	47%	0.47	S	S	*	.			trans	-46.4	104	169.2	-79	177.4	146.6	0	0	104.6	L30 S34	L30-E32 PolarHBondContact O-N 2.86Å; E32-S34 PolarHBondContact O-N 2.91Å
33	I	55.6	Low	66.5	Low	146 Å²	146	88.1 Å²	88.1	75%	0.749	46%	0.463	S	S	*	.			trans	-70.5	99.5	-178.4	-62.5	176.7	0	0	0	101.7	T31	T31-I33 WeakPolarHBondContact O-CG1 3.38Å; T31-I33 PolarHBondContact O-N 3.28Å
34	S	66.1	Low	69	Low	75 Å²	75	83.5 Å²	83.5	52%	0.524	44%	0.44	S	S	.	.			trans	-45.8	131.4	176.4	56.8	0	0	0	0	107.6	E32 I36	E32-S34 PolarHBondContact O-N 2.91Å; S34-I36 PolarHBondContact O-N 2.89Å
35	P	89.5	Confident	71.5	Confident	88 Å²	88	78.7 Å²	78.7	57%	0.571	42%	0.423	S	S	*	.			trans	-53.8	141.5	-174.8	21.7	-32.6	0	0	0	110.5	R37	P35-R37 PolarHBondContact O-N 3.13Å
36	I	97.5	Very high	74.1	Confident	26 Å²	26	75.6 Å²	75.6	13%	0.133	40%	0.404	C	S	.	.			trans	-65.5	122.5	178.6	-65.4	-64.8	0	0	0	108.9	S34 V38 F62 H66 G68 K69 S240 H241	S34-I36 PolarHBondContact O-N 2.89Å; I36-V38 HydrophobicContact CG2-CG1 4.21Å; I36-F62 HydrophobicContact CD1-CE1 4.34Å; I36-F62 HydrophobicContact CG2-CD1 3.92Å; I36-F62 HydrophobicContact CG2-CE1 3.68Å; I36-H66 HydrophobicContact CB-CB 4.25Å; I36-H66 HydrophobicContact CG1-CB 3.8Å; I36-H66 HydrophobicContact CG2-CB 4.31Å; I36-G68 CarbonylContact O-C 3.43Å; I36-G68 WeakPolarHBondContact O-CA 3.44Å; I36-K69 PolarHBondContact O-N 3.48Å; I36-S240 WeakPolarHBondContact CA-OG 3.44Å; I36-H241 WeakPolarHBondContact CD1-CE1 3.49Å
37	R	98.3	Very high	76.6	Confident	11 Å²	11	72.6 Å²	72.6	4%	0.042	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	121.6	178.3	-65.4	-179.6	61.2	75.3	2.5	107.6	P35 K69 I71 E103 Y111 M237 E238 S240 H241	P35-R37 PolarHBondContact O-N 3.13Å; R37-K69 HydrophobicContact CG-CB 4.29Å; R37-I71 HydrophobicContact CB-CD1 4.36Å; R37-E103 IonicContact CZ-OE1 2.64Å; R37-E103 IonicContact CZ-OE2 3.18Å; R37-E103 IonicContact NH1-OE1 3.26Å; R37-E103 PolarHBondContact NH1-OE1 3.42Å; R37-E103 IonicContact NH1-OE2 2.81Å; R37-E103 VanDerWaalsContact NH2-CD 3.31Å; R37-E103 IonicContact NH2-OE1 3.56Å; R37-E103 PolarHBondContact NH2-OE1 3.04Å; R37-E103 VanDerWaalsContact NH2-OE1 3.11Å; R37-E103 IonicContact NH2-OE2 2.88Å; R37-E103 PolarHBondContact NH2-OE2 3.3Å; R37-Y111 VanDerWaalsContact NH2-CD2 3.32Å; R37-M237 PolarHBondContact NE-O 2.8Å; R37-M237 PolarHBondContact NH2-O 2.88Å; R37-E238 WeakPolarHBondContact CB-O 3.39Å; R37-E238 WeakPolarHBondContact CD-O 3.26Å; R37-S240 PolarHBondContact N-OG 3.47Å; R37-S240 PolarHBondContact O-N 3.2Å; R37-S240 PolarHBondContact O-OG 3.29Å; R37-H241 PolarHBondContact O-N 3.35Å
38	V	98.7	Very high	79.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	161.5	-178.3	-55.3	0	0	0	0	109.8	I36 N59 F62 A63 K69 F70 I71 H241 I243	I36-V38 HydrophobicContact CG2-CG1 4.21Å; V38-N59 WeakPolarHBondContact CB-OD1 3.46Å; V38-N59 HydrophobicContact CG2-CB 3.88Å; V38-N59 VanDerWaalsContact CG2-O 3.29Å; V38-N59 WeakPolarHBondContact CG2-O 3.42Å; V38-F62 HydrophobicContact CG1-CD1 3.66Å; V38-F62 HydrophobicContact CG1-CE1 4.05Å; V38-A63 HydrophobicContact CG2-CB 3.91Å; V38-K69 PolarHBondContact N-O 3.26Å; V38-F70 HydrophobicContact CG2-CD2 4.41Å; V38-I71 WeakPolarHBondContact O-CB 3.38Å; V38-I71 PolarHBondContact O-N 2.93Å; V38-H241 HydrophobicContact CG1-CB 3.8Å; V38-I243 HydrophobicContact CG1-CD1 4.18Å
39	R	98.4	Very high	81.9	Confident	10 Å²	10	65.9 Å²	65.9	4%	0.038	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140.6	-171.7	64.3	177.1	-170.5	-156.9	1.1	112.8	A41 N59 I71 R73 N230 D234 I239	R39-A41 HydrophobicContact CG-CB 4.49Å; R39-N59 PolarHBondContact N-OD1 3.01Å; R39-N59 PolarHBondContact O-OD1 3.32Å; R39-N59 VanDerWaalsContact O-OD1 3.09Å; R39-I71 CarbonylContact C-O 3.58Å; R39-I71 VanDerWaalsContact CA-O 3.29Å; R39-I71 WeakPolarHBondContact CA-O 3.47Å; R39-I71 HydrophobicContact CB-CB 4.24Å; R39-R73 VanDerWaalsContact CD-NH1 3.29Å; R39-R73 VanDerWaalsContact NH1-CZ 3.28Å; R39-N230 PolarHBondContact NH1-O 3.13Å; R39-N230 PolarHBondContact NH2-OD1 2.86Å; R39-D234 IonicContact CZ-OD1 2.77Å; R39-D234 IonicContact CZ-OD2 3.74Å; R39-D234 IonicContact NE-OD1 3.81Å; R39-D234 PolarHBondContact NE-OD1 3.11Å; R39-D234 VanDerWaalsContact NH1-CA 3.33Å; R39-D234 IonicContact NH1-OD1 3.33Å; R39-D234 PolarHBondContact NH1-OD1 3.41Å; R39-D234 IonicContact NH1-OD2 3.85Å; R39-D234 PolarHBondContact NH1-OD2 3.1Å; R39-D234 IonicContact NH2-OD1 3.54Å; R39-D234 PolarHBondContact NH2-OD1 3.48Å; R39-D234 IonicContact NH2-OD2 2.74Å; R39-D234 PolarHBondContact NH2-OD2 3.18Å; R39-I239 HydrophobicContact CB-CG1 4.28Å; R39-I239 HydrophobicContact CG-CG1 4.03Å
40	F	98.6	Very high	84.5	Confident	9 Å²	9	57.1 Å²	57.1	4%	0.039	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.1	156.3	176	-126.2	0	0	0	108.3	P42 M48 G52 T55 A56 F70 I71 L72 R73 I90 L94	F40-P42 VanDerWaalsContact C-CD 3.42Å; F40-P42 HydrophobicContact CD1-CG 4.01Å; F40-P42 HydrophobicContact CE1-CB 4.06Å; F40-P42 HydrophobicContact CE1-CG 3.51Å; F40-P42 HydrophobicContact CE2-CB 4.1Å; F40-P42 HydrophobicContact CE2-CG 4.28Å; F40-P42 HydrophobicContact CZ-CB 3.65Å; F40-P42 HydrophobicContact CZ-CG 3.65Å; F40-P42 WeakPolarHBondContact O-CD 3.39Å; F40-M48 HydrophobicContact CD1-CE 4.49Å; F40-M48 HydrophobicContact CE1-CE 3.46Å; F40-M48 VanDerWaalsContact CE1-CE 3.46Å; F40-M48 HydrophobicContact CE1-SD 4.17Å; F40-M48 HydrophobicContact CZ-CE 3.5Å; F40-M48 HydrophobicContact CZ-SD 4.35Å; F40-G52 WeakPolarHBondContact CE2-O 3.33Å; F40-T55 HydrophobicContact CD2-CG2 4.03Å; F40-A56 HydrophobicContact CB-CB 4.22Å; F40-A56 HydrophobicContact CD1-CB 3.83Å; F40-A56 HydrophobicContact CD2-CB 4.14Å; F40-A56 HydrophobicContact CE1-CB 4.19Å; F40-A56 HydrophobicContact CE2-CB 4.48Å; F40-A56 HydrophobicContact CG-CB 3.81Å; F40-F70 HydrophobicContact CB-CE2 3.61Å; F40-F70 HydrophobicContact CB-CZ 3.76Å; F40-I71 PolarHBondContact N-O 3.18Å; F40-L72 HydrophobicContact CD1-CD1 3.85Å; F40-L72 HydrophobicContact CE1-CD1 4.38Å; F40-L72 WeakPolarHBondContact O-CA 3.49Å; F40-R73 PolarHBondContact O-N 3.45Å; F40-I90 HydrophobicContact CE1-CG2 4.19Å; F40-L94 HydrophobicContact CD1-CD1 4.06Å; F40-L94 HydrophobicContact CD1-CD2 4.26Å; F40-L94 HydrophobicContact CE1-CD1 4.29Å; F40-L94 HydrophobicContact CE1-CD2 4.35Å
41	A	98.1	Very high	87	Confident	26 Å²	26	50.6 Å²	50.6	22%	0.215	29%	0.287	C	S	.	.			trans	-121.9	67.4	-172	0	0	0	0	0	112.6	R39 R73 E75	R39-A41 HydrophobicContact CG-CB 4.49Å; A41-R73 CarbonylContact C-O 3.52Å; A41-R73 VanDerWaalsContact CA-O 3.22Å; A41-R73 WeakPolarHBondContact CA-O 3.47Å; A41-R73 HydrophobicContact CB-CB 4.48Å; A41-E75 HydrophobicContact CB-CG 3.99Å; A41-E75 WeakPolarHBondContact CB-OE1 3.27Å
42	P	97.3	Very high	89.4	Confident	19 Å²	19	45.5 Å²	45.5	12%	0.123	26%	0.257	C	S	.	.			trans	-77.4	148.8	-177.6	32.5	-37.4	0	0	0	113	F40 L72 R73 I74 E75 I90	F40-P42 VanDerWaalsContact C-CD 3.42Å; F40-P42 HydrophobicContact CD1-CG 4.01Å; F40-P42 HydrophobicContact CE1-CB 4.06Å; F40-P42 HydrophobicContact CE1-CG 3.51Å; F40-P42 HydrophobicContact CE2-CB 4.1Å; F40-P42 HydrophobicContact CE2-CG 4.28Å; F40-P42 HydrophobicContact CZ-CB 3.65Å; F40-P42 HydrophobicContact CZ-CG 3.65Å; F40-P42 WeakPolarHBondContact O-CD 3.39Å; P42-L72 HydrophobicContact CG-CD1 4.09Å; P42-R73 WeakPolarHBondContact CD-O 3.24Å; P42-I74 HydrophobicContact CG-CD1 4.38Å; P42-E75 PolarHBondContact O-N 3.24Å; P42-I90 HydrophobicContact CB-CD1 3.99Å; P42-I90 HydrophobicContact CG-CD1 3.88Å; P42-I90 HydrophobicContact CG-CG1 4.46Å; P42-I90 HydrophobicContact CG-CG2 3.82Å
43	S	96.2	Very high	91.9	Very high	51 Å²	51	36.7 Å²	36.7	36%	0.357	22%	0.216	S	C	.	.			trans	-83.4	132	164	-53.4	0	0	0	0	110.7	T45 E75	S43-T45 PolarHBondContact O-N 2.95Å; S43-E75 WeakPolarHBondContact CA-O 3.43Å; S43-E75 WeakPolarHBondContact CB-O 3.35Å; S43-E75 PolarHBondContact OG-O 3.39Å
44	P	96.4	Very high	93.8	Very high	3 Å²	3	30 Å²	30	2%	0.019	18%	0.181	C	C	.	.			trans	-80.5	66.3	-175.8	34.4	-36.3	0	0	0	111.4	I74 E75 D76 V82 Q83 A86 K87 I90	P44-I74 HydrophobicContact CB-CG2 4.15Å; P44-I74 HydrophobicContact CG-CG2 3.68Å; P44-E75 WeakPolarHBondContact CD-O 3.43Å; P44-D76 HydrophobicContact CG-CB 3.84Å; P44-V82 HydrophobicContact CG-CG1 4.16Å; P44-V82 HydrophobicContact CG-CG2 4.22Å; P44-V82 CarbonylContact O-C 3.42Å; P44-V82 WeakPolarHBondContact O-CA 3.2Å; P44-Q83 PolarHBondContact O-N 3.07Å; P44-A86 VanDerWaalsContact C-CB 3.43Å; P44-A86 HydrophobicContact CB-CB 3.96Å; P44-A86 WeakPolarHBondContact O-CB 3.39Å; P44-K87 HydrophobicContact CB-CB 4.36Å; P44-I90 HydrophobicContact CB-CD1 4.34Å
45	T	94.8	Very high	95.2	Very high	55 Å²	55	27.5 Å²	27.5	34%	0.337	16%	0.163	S	C	.	.	S	Bend	trans	-104.2	8.1	-171.6	64.6	0	0	0	0	114.8	S43 R81 Q83	S43-T45 PolarHBondContact O-N 2.95Å; T45-R81 VanDerWaalsContact CA-O 3.31Å; T45-R81 WeakPolarHBondContact CA-O 3.36Å; T45-R81 WeakPolarHBondContact CB-O 3.3Å; T45-R81 HydrophobicContact CG2-CB 3.68Å; T45-R81 WeakPolarHBondContact CG2-O 3.36Å; T45-Q83 WeakPolarHBondContact O-CG 3.4Å
46	G	93	Very high	95.7	Very high	14 Å²	14	23.3 Å²	23.3	14%	0.144	14%	0.135	C	C	.	.	S	Bend	trans	152.5	-167.1	-179	0	0	0	0	0	110.1	A86	G46-A86 WeakPolarHBondContact O-CB 3.39Å
47	F	93.8	Very high	95.7	Very high	91 Å²	91	22 Å²	22	40%	0.399	13%	0.129	S	C	.	.	S	Bend	trans	-56.9	142.1	176.6	-65.9	-70.3	0	0	0	112.5	H49 Y85 D89 H297	F47-H49 PolarHBondContact O-N 3.23Å; F47-H49 VanDerWaalsContact O-N 3.15Å; F47-Y85 HydrophobicContact CD1-CD2 4.45Å; F47-Y85 HydrophobicContact CD1-CE2 4.12Å; F47-Y85 HydrophobicContact CD2-CE2 4.09Å; F47-Y85 HydrophobicContact CE1-CD2 4.02Å; F47-Y85 AromaticContact CE1-CE2 3.86Å; F47-Y85 HydrophobicContact CE1-CE2 3.86Å; F47-Y85 AromaticContact CE2-CE2 3.84Å; F47-Y85 HydrophobicContact CE2-CE2 3.84Å; F47-Y85 HydrophobicContact CG-CE2 4.22Å; F47-Y85 HydrophobicContact CZ-CD2 4.15Å; F47-Y85 AromaticContact CZ-CE2 3.71Å; F47-Y85 HydrophobicContact CZ-CE2 3.71Å; F47-D89 VanDerWaalsContact CA-OD2 3.24Å; F47-D89 WeakPolarHBondContact CA-OD2 3.33Å; F47-D89 HydrophobicContact CD1-CB 4.24Å; F47-D89 WeakPolarHBondContact CD1-OD1 3.43Å; F47-H297 HydrophobicContact CD1-CB 3.86Å; F47-H297 HydrophobicContact CE1-CB 4.31Å; F47-H297 HydrophobicContact CG-CB 4.32Å
48	M	94.4	Very high	95.7	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.039	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-59.4	117.2	176.3	-172.4	163.1	171.9	0	0	109.7	F40 L53 A56 D89 I90 S93 L94 S295 V296	F40-M48 HydrophobicContact CD1-CE 4.49Å; F40-M48 HydrophobicContact CE1-CE 3.46Å; F40-M48 VanDerWaalsContact CE1-CE 3.46Å; F40-M48 HydrophobicContact CE1-SD 4.17Å; F40-M48 HydrophobicContact CZ-CE 3.5Å; F40-M48 HydrophobicContact CZ-SD 4.35Å; M48-L53 VanDerWaalsContact CE-CA 3.49Å; M48-L53 HydrophobicContact CE-CB 4.04Å; M48-L53 HydrophobicContact CE-CD1 4.09Å; M48-A56 HydrophobicContact CE-CB 4.27Å; M48-D89 PolarHBondContact N-OD2 3.02Å; M48-I90 HydrophobicContact CB-CG1 4.23Å; M48-I90 HydrophobicContact SD-CG1 4.46Å; M48-I90 HydrophobicContact SD-CG2 4.33Å; M48-S93 VanDerWaalsContact SD-CB 3.57Å; M48-L94 HydrophobicContact CE-CD2 3.91Å; M48-L94 HydrophobicContact CE-CG 4.35Å; M48-L94 HydrophobicContact SD-CG 4.48Å; M48-S295 WeakPolarHBondContact O-CA 3.39Å; M48-V296 HydrophobicContact CB-CB 4.49Å; M48-V296 HydrophobicContact CB-CG2 4.18Å; M48-V296 HydrophobicContact CG-CG2 4Å; M48-V296 WeakPolarHBondContact O-CG2 3.42Å; M48-V296 PolarHBondContact O-N 3.27Å
49	H	91.1	Very high	95.7	Very high	107 Å²	107	21.5 Å²	21.5	50%	0.495	13%	0.127	S	C	.	.	B	Isolated β-bridge	trans	-84.5	161.2	177.8	63.6	80.3	0	0	0	111.3	F47 G51 G52 L53 G294	F47-H49 PolarHBondContact O-N 3.23Å; F47-H49 VanDerWaalsContact O-N 3.15Å; H49-G51 VanDerWaalsContact C-N 3.3Å; H49-G51 PolarHBondContact ND1-N 3.49Å; H49-G51 PolarHBondContact O-N 3.49Å; H49-G52 PolarHBondContact CE1-N 3.48Å; H49-G52 PolarHBondContact ND1-N 3.11Å; H49-G52 VanDerWaalsContact ND1-N 3.15Å; H49-G52 WeakPolarHBondContact O-CA 3.45Å; H49-G52 PolarHBondContact O-N 3.4Å; H49-L53 PolarHBondContact O-N 3.32Å; H49-G294 WeakPolarHBondContact CA-O 3.43Å
50	L	91	Very high	95.7	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-38	-175.4	-171.4	63	0	0	0	113.8	G52 L53 R54 L275 G294 L299 W312 L313 L360	L50-G52 VanDerWaalsContact C-N 3.25Å; L50-G52 PolarHBondContact O-N 3.2Å; L50-L53 HydrophobicContact CD1-CD2 4.43Å; L50-L53 PolarHBondContact O-N 2.85Å; L50-L53 VanDerWaalsContact O-N 3.13Å; L50-R54 PolarHBondContact O-N 3.04Å; L50-L275 HydrophobicContact CD2-CD1 4.48Å; L50-L275 HydrophobicContact CG-CD1 4.23Å; L50-G294 PolarHBondContact N-O 2.95Å; L50-L299 HydrophobicContact CD1-CD1 4.01Å; L50-W312 HydrophobicContact CD1-CZ3 3.89Å; L50-W312 HydrophobicContact CD2-CH2 3.42Å; L50-W312 VanDerWaalsContact CD2-CH2 3.42Å; L50-W312 HydrophobicContact CD2-CZ3 3.46Å; L50-W312 VanDerWaalsContact CD2-CZ3 3.46Å; L50-W312 HydrophobicContact CG-CZ3 4.29Å; L50-L313 HydrophobicContact CD1-CD1 3.94Å; L50-L313 HydrophobicContact CD1-CD2 3.55Å; L50-L313 HydrophobicContact CD1-CG 4.12Å; L50-L313 HydrophobicContact CD2-CD2 4.03Å; L50-L313 HydrophobicContact CG-CD2 3.63Å; L50-L360 HydrophobicContact CD2-CD1 3.64Å; L50-L360 HydrophobicContact CD2-CD2 3.82Å; L50-L360 HydrophobicContact CD2-CG 4.4Å
51	G	91	Very high	95.6	Very high	22 Å²	22	21.9 Å²	21.9	23%	0.227	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-32.1	173.2	0	0	0	0	0	114.2	H49 T55	H49-G51 VanDerWaalsContact C-N 3.3Å; H49-G51 PolarHBondContact ND1-N 3.49Å; H49-G51 PolarHBondContact O-N 3.49Å; G51-T55 PolarHBondContact O-N 3.21Å; G51-T55 PolarHBondContact O-OG1 2.85Å
52	G	94.4	Very high	95.6	Very high	6 Å²	6	21.4 Å²	21.4	6%	0.062	12%	0.122	C	C	.	.	H	α-helix	trans	-67.8	-45.5	172.8	0	0	0	0	0	110.9	F40 H49 L50 R54 T55 A56	F40-G52 WeakPolarHBondContact CE2-O 3.33Å; H49-G52 PolarHBondContact CE1-N 3.48Å; H49-G52 PolarHBondContact ND1-N 3.11Å; H49-G52 VanDerWaalsContact ND1-N 3.15Å; H49-G52 WeakPolarHBondContact O-CA 3.45Å; H49-G52 PolarHBondContact O-N 3.4Å; L50-G52 VanDerWaalsContact C-N 3.25Å; L50-G52 PolarHBondContact O-N 3.2Å; G52-R54 PolarHBondContact O-N 3.39Å; G52-T55 WeakPolarHBondContact O-CB 3.26Å; G52-T55 PolarHBondContact O-N 3.39Å; G52-A56 PolarHBondContact O-N 3.09Å
53	L	96.2	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61	-42.7	176.3	-173.8	64.2	0	0	0	112.3	M48 H49 L50 T55 A56 L57 L99 V296 V309 L310 L313	M48-L53 VanDerWaalsContact CE-CA 3.49Å; M48-L53 HydrophobicContact CE-CB 4.04Å; M48-L53 HydrophobicContact CE-CD1 4.09Å; H49-L53 PolarHBondContact O-N 3.32Å; L50-L53 HydrophobicContact CD1-CD2 4.43Å; L50-L53 PolarHBondContact O-N 2.85Å; L50-L53 VanDerWaalsContact O-N 3.13Å; L53-T55 VanDerWaalsContact C-N 3.33Å; L53-T55 PolarHBondContact O-N 3.17Å; L53-A56 PolarHBondContact O-N 2.75Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 PolarHBondContact O-N 3.38Å; L53-L99 HydrophobicContact CD1-CD1 3.83Å; L53-V296 HydrophobicContact CB-CG2 3.85Å; L53-V296 HydrophobicContact CD2-CG1 4.47Å; L53-V296 HydrophobicContact CD2-CG2 3.87Å; L53-V296 HydrophobicContact CG-CG2 4.29Å; L53-V309 HydrophobicContact CD2-CG1 3.84Å; L53-L310 HydrophobicContact CD1-CD2 4.36Å; L53-L310 HydrophobicContact CD2-CD2 4.43Å; L53-L310 HydrophobicContact CG-CD2 4.32Å; L53-L313 HydrophobicContact CB-CD1 4.29Å; L53-L313 HydrophobicContact CD2-CD1 3.92Å; L53-L313 HydrophobicContact CG-CD1 3.91Å
54	R	94.8	Very high	95.7	Very high	6 Å²	6	21 Å²	21	2%	0.023	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-41.5	174.1	-176.4	171.8	176.9	-113.7	1	112.2	L50 G52 L57 F58 P273 L275 L313 T316	L50-R54 PolarHBondContact O-N 3.04Å; G52-R54 PolarHBondContact O-N 3.39Å; R54-L57 PolarHBondContact O-N 3.4Å; R54-F58 HydrophobicContact CG-CD1 4.19Å; R54-F58 HydrophobicContact CG-CE1 4.01Å; R54-F58 HydrophobicContact CG-CZ 4.35Å; R54-F58 WeakPolarHBondContact O-CD1 3.43Å; R54-F58 PolarHBondContact O-N 2.95Å; R54-P273 PolarHBondContact NH1-O 3.46Å; R54-L275 HydrophobicContact CB-CD1 4.2Å; R54-L313 HydrophobicContact CB-CD1 4.28Å; R54-L313 HydrophobicContact CB-CD2 4.09Å; R54-T316 VanDerWaalsContact CZ-O 3.23Å; R54-T316 PolarHBondContact NE-O 3.03Å; R54-T316 PolarHBondContact NH2-O 2.91Å
55	T	96.7	Very high	95.7	Very high	22 Å²	22	24.4 Å²	24.4	14%	0.135	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-45.2	176.3	-56.8	0	0	0	0	110.9	F40 G51 G52 L53 F58 N59 I243 L272	F40-T55 HydrophobicContact CD2-CG2 4.03Å; G51-T55 PolarHBondContact O-N 3.21Å; G51-T55 PolarHBondContact O-OG1 2.85Å; G52-T55 WeakPolarHBondContact O-CB 3.26Å; G52-T55 PolarHBondContact O-N 3.39Å; L53-T55 VanDerWaalsContact C-N 3.33Å; L53-T55 PolarHBondContact O-N 3.17Å; T55-F58 PolarHBondContact O-N 2.89Å; T55-N59 PolarHBondContact O-N 3.01Å; T55-N59 VanDerWaalsContact O-N 3.09Å; T55-N59 PolarHBondContact O-ND2 3.28Å; T55-I243 WeakPolarHBondContact CG2-O 3.45Å; T55-L272 HydrophobicContact CG2-CD1 4.4Å
56	A	98.4	Very high	95.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-45.2	175.3	0	0	0	0	0	112.1	F40 M48 G52 L53 F58 N59 K60 F70 L94 L99	F40-A56 HydrophobicContact CB-CB 4.22Å; F40-A56 HydrophobicContact CD1-CB 3.83Å; F40-A56 HydrophobicContact CD2-CB 4.14Å; F40-A56 HydrophobicContact CE1-CB 4.19Å; F40-A56 HydrophobicContact CE2-CB 4.48Å; F40-A56 HydrophobicContact CG-CB 3.81Å; M48-A56 HydrophobicContact CE-CB 4.27Å; G52-A56 PolarHBondContact O-N 3.09Å; L53-A56 PolarHBondContact O-N 2.75Å; A56-F58 PolarHBondContact O-N 3.21Å; A56-N59 PolarHBondContact O-N 3.11Å; A56-K60 PolarHBondContact O-N 2.65Å; A56-F70 HydrophobicContact CB-CZ 4.06Å; A56-L94 HydrophobicContact CB-CD2 3.57Å; A56-L99 HydrophobicContact CB-CD1 4.03Å
57	L	98	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.5	-51.3	177.2	173.9	60.9	0	0	0	111.1	L53 R54 N59 K60 L61 L99 L310 L313 T314 F341	L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 PolarHBondContact O-N 3.38Å; R54-L57 PolarHBondContact O-N 3.4Å; L57-N59 VanDerWaalsContact C-N 3.33Å; L57-N59 PolarHBondContact O-N 3.01Å; L57-K60 PolarHBondContact O-N 2.75Å; L57-K60 VanDerWaalsContact O-N 3.11Å; L57-L61 HydrophobicContact CD1-CD1 3.9Å; L57-L61 HydrophobicContact CD1-CD2 4.25Å; L57-L61 HydrophobicContact CD1-CG 3.84Å; L57-L61 HydrophobicContact CG-CD1 3.96Å; L57-L61 HydrophobicContact CG-CG 4.29Å; L57-L61 WeakPolarHBondContact O-CG 3.31Å; L57-L61 PolarHBondContact O-N 2.92Å; L57-L99 HydrophobicContact CB-CD1 4Å; L57-L99 HydrophobicContact CD1-CD2 3.98Å; L57-L310 HydrophobicContact CB-CD2 4.37Å; L57-L310 HydrophobicContact CD1-CB 4.23Å; L57-L310 HydrophobicContact CD1-CD1 4.16Å; L57-L310 HydrophobicContact CD1-CD2 4.11Å; L57-L310 HydrophobicContact CD1-CG 4.39Å; L57-L310 HydrophobicContact CD2-CB 4.25Å; L57-L310 HydrophobicContact CD2-CD2 4.2Å; L57-L310 VanDerWaalsContact CD2-O 3.28Å; L57-L310 WeakPolarHBondContact CD2-O 3.35Å; L57-L310 HydrophobicContact CG-CD2 4.45Å; L57-L313 HydrophobicContact CD2-CB 3.91Å; L57-T314 HydrophobicContact CD2-CG2 3.82Å; L57-F341 HydrophobicContact CD1-CE2 4.14Å
58	F	97.7	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.4	-35.5	-175.1	-79.8	31.6	0	0	0	111.7	R54 T55 A56 F62 I243 L272 T314 F348 I353	R54-F58 HydrophobicContact CG-CD1 4.19Å; R54-F58 HydrophobicContact CG-CE1 4.01Å; R54-F58 HydrophobicContact CG-CZ 4.35Å; R54-F58 WeakPolarHBondContact O-CD1 3.43Å; R54-F58 PolarHBondContact O-N 2.95Å; T55-F58 PolarHBondContact O-N 2.89Å; A56-F58 PolarHBondContact O-N 3.21Å; F58-F62 VanDerWaalsContact O-CB 3.32Å; F58-F62 WeakPolarHBondContact O-CB 3.27Å; F58-F62 PolarHBondContact O-N 3.4Å; F58-I243 HydrophobicContact CB-CG2 4.43Å; F58-L272 HydrophobicContact CB-CD1 4.17Å; F58-L272 HydrophobicContact CD2-CD1 4.05Å; F58-L272 HydrophobicContact CD2-CD2 3.52Å; F58-L272 HydrophobicContact CD2-CG 4.43Å; F58-L272 HydrophobicContact CE2-CD2 4.15Å; F58-L272 HydrophobicContact CG-CD1 4.29Å; F58-L272 HydrophobicContact CG-CD2 4.43Å; F58-T314 HydrophobicContact CE1-CG2 4.4Å; F58-F348 HydrophobicContact CB-CE2 4.17Å; F58-F348 HydrophobicContact CB-CZ 3.81Å; F58-F348 HydrophobicContact CD1-CE2 4.01Å; F58-F348 AromaticContact CD2-CE2 3.66Å; F58-F348 HydrophobicContact CD2-CE2 3.66Å; F58-F348 AromaticContact CD2-CZ 3.78Å; F58-F348 HydrophobicContact CD2-CZ 3.78Å; F58-F348 HydrophobicContact CE1-CE2 4.29Å; F58-F348 AromaticContact CE2-CE2 3.99Å; F58-F348 HydrophobicContact CE2-CE2 3.99Å; F58-F348 HydrophobicContact CE2-CZ 4.49Å; F58-F348 AromaticContact CG-CE2 3.69Å; F58-F348 HydrophobicContact CG-CE2 3.69Å; F58-F348 AromaticContact CG-CZ 3.8Å; F58-F348 HydrophobicContact CG-CZ 3.8Å; F58-F348 HydrophobicContact CZ-CE2 4.28Å; F58-I353 HydrophobicContact CD2-CD1 3.74Å; F58-I353 HydrophobicContact CD2-CG1 4.49Å; F58-I353 HydrophobicContact CE2-CD1 3.83Å; F58-I353 HydrophobicContact CE2-CG1 4.1Å
59	N	98.5	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-45.8	169.8	-83.1	-88	0	0	0	111.3	V38 R39 T55 A56 L57 F62 A63 F70 I243	V38-N59 WeakPolarHBondContact CB-OD1 3.46Å; V38-N59 HydrophobicContact CG2-CB 3.88Å; V38-N59 VanDerWaalsContact CG2-O 3.29Å; V38-N59 WeakPolarHBondContact CG2-O 3.42Å; R39-N59 PolarHBondContact N-OD1 3.01Å; R39-N59 PolarHBondContact O-OD1 3.32Å; R39-N59 VanDerWaalsContact O-OD1 3.09Å; T55-N59 PolarHBondContact O-N 3.01Å; T55-N59 VanDerWaalsContact O-N 3.09Å; T55-N59 PolarHBondContact O-ND2 3.28Å; A56-N59 PolarHBondContact O-N 3.11Å; L57-N59 VanDerWaalsContact C-N 3.33Å; L57-N59 PolarHBondContact O-N 3.01Å; N59-F62 PolarHBondContact O-N 3.32Å; N59-A63 WeakPolarHBondContact O-CB 3.47Å; N59-A63 PolarHBondContact O-N 3.28Å; N59-F70 HydrophobicContact CB-CD2 3.66Å; N59-F70 HydrophobicContact CB-CE2 3.55Å; N59-I243 PolarHBondContact ND2-O 2.97Å
60	K	98.4	Very high	96.7	Very high	27 Å²	27	26.5 Å²	26.5	12%	0.117	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-45.8	179	-170.4	75.6	-171	177.9	0	111.9	A56 L57 F62 A63 V64 F70 L99 I100 D102 F341	A56-K60 PolarHBondContact O-N 2.65Å; L57-K60 PolarHBondContact O-N 2.75Å; L57-K60 VanDerWaalsContact O-N 3.11Å; K60-F62 VanDerWaalsContact C-N 3.34Å; K60-F62 PolarHBondContact O-N 2.87Å; K60-A63 PolarHBondContact O-N 2.92Å; K60-V64 HydrophobicContact CD-CG2 4.34Å; K60-V64 HydrophobicContact CG-CG2 4.24Å; K60-V64 VanDerWaalsContact O-CG2 3.29Å; K60-V64 WeakPolarHBondContact O-CG2 3.38Å; K60-V64 PolarHBondContact O-N 3.11Å; K60-F70 HydrophobicContact CB-CD1 4.19Å; K60-F70 HydrophobicContact CB-CE1 4.47Å; K60-F70 HydrophobicContact CB-CG 4.23Å; K60-F70 HydrophobicContact CD-CB 3.7Å; K60-F70 HydrophobicContact CD-CD1 3.35Å; K60-F70 HydrophobicContact CD-CE1 4.18Å; K60-F70 HydrophobicContact CD-CG 3.69Å; K60-F70 HydrophobicContact CG-CD1 4.33Å; K60-L99 HydrophobicContact CB-CD2 3.98Å; K60-L99 HydrophobicContact CG-CD2 4.07Å; K60-I100 PolarHBondContact NZ-O 3.26Å; K60-D102 IonicContact NZ-OD2 2.7Å; K60-D102 PolarHBondContact NZ-OD2 3.03Å; K60-F341 HydrophobicContact CG-CE2 4.49Å; K60-F341 HydrophobicContact CG-CZ 3.79Å
61	L	97.8	Very high	97	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.8	-47	177.1	-68.4	176.8	0	0	0	111	L57 V64 K65 T314 F341 L344 V345 F348	L57-L61 HydrophobicContact CD1-CD1 3.9Å; L57-L61 HydrophobicContact CD1-CD2 4.25Å; L57-L61 HydrophobicContact CD1-CG 3.84Å; L57-L61 HydrophobicContact CG-CD1 3.96Å; L57-L61 HydrophobicContact CG-CG 4.29Å; L57-L61 WeakPolarHBondContact O-CG 3.31Å; L57-L61 PolarHBondContact O-N 2.92Å; L61-V64 PolarHBondContact O-N 3.29Å; L61-K65 VanDerWaalsContact O-CB 3.27Å; L61-K65 WeakPolarHBondContact O-CB 3.46Å; L61-K65 PolarHBondContact O-N 3.47Å; L61-T314 HydrophobicContact CD1-CG2 4.28Å; L61-F341 HydrophobicContact CD2-CD2 4.24Å; L61-F341 HydrophobicContact CD2-CE2 3.71Å; L61-F341 HydrophobicContact CD2-CZ 3.91Å; L61-L344 HydrophobicContact CD1-CB 4.36Å; L61-L344 HydrophobicContact CD2-CB 3.74Å; L61-V345 HydrophobicContact CD2-CB 4.46Å; L61-V345 HydrophobicContact CD2-CG2 3.62Å; L61-F348 HydrophobicContact CB-CB 3.97Å; L61-F348 HydrophobicContact CB-CD1 3.74Å; L61-F348 HydrophobicContact CB-CD2 4.04Å; L61-F348 HydrophobicContact CB-CE1 4.23Å; L61-F348 HydrophobicContact CB-CE2 4.49Å; L61-F348 HydrophobicContact CB-CG 3.62Å; L61-F348 HydrophobicContact CD1-CB 4.24Å; L61-F348 HydrophobicContact CD1-CD2 3.59Å; L61-F348 HydrophobicContact CD1-CE2 4.12Å; L61-F348 HydrophobicContact CD1-CG 3.96Å; L61-F348 HydrophobicContact CG-CD2 4.48Å; L61-F348 HydrophobicContact CG-CG 4.42Å
62	F	97.9	Very high	97.4	Very high	15 Å²	15	25.4 Å²	25.4	7%	0.066	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-46.6	176.9	-169.8	-102.7	0	0	0	112.4	I36 V38 F58 N59 K60 K65 H66 H241 I243 F348 L350	I36-F62 HydrophobicContact CD1-CE1 4.34Å; I36-F62 HydrophobicContact CG2-CD1 3.92Å; I36-F62 HydrophobicContact CG2-CE1 3.68Å; V38-F62 HydrophobicContact CG1-CD1 3.66Å; V38-F62 HydrophobicContact CG1-CE1 4.05Å; F58-F62 VanDerWaalsContact O-CB 3.32Å; F58-F62 WeakPolarHBondContact O-CB 3.27Å; F58-F62 PolarHBondContact O-N 3.4Å; N59-F62 PolarHBondContact O-N 3.32Å; K60-F62 VanDerWaalsContact C-N 3.34Å; K60-F62 PolarHBondContact O-N 2.87Å; F62-K65 PolarHBondContact O-N 3.04Å; F62-H66 AromaticContact CD2-CD2 3.61Å; F62-H66 AromaticContact CD2-NE2 3.82Å; F62-H66 AromaticContact CE2-CD2 3.42Å; F62-H66 VanDerWaalsContact CE2-CD2 3.42Å; F62-H66 WeakPolarHBondContact CE2-CD2 3.3Å; F62-H66 AromaticContact CE2-NE2 3.42Å; F62-H66 WeakPolarHBondContact CE2-NE2 3.43Å; F62-H66 AromaticContact CZ-CD2 3.71Å; F62-H66 PolarHBondContact O-CD2 3.02Å; F62-H66 VanDerWaalsContact O-CD2 3.26Å; F62-H66 PolarHBondContact O-N 3.14Å; F62-H241 HydrophobicContact CE1-CB 4.14Å; F62-H241 AromaticContact CE1-CD2 3.84Å; F62-H241 AromaticContact CE1-CG 3.68Å; F62-H241 AromaticContact CE1-ND1 3.8Å; F62-H241 AromaticContact CZ-CD2 3.69Å; F62-H241 AromaticContact CZ-NE2 3.78Å; F62-I243 HydrophobicContact CB-CD1 3.8Å; F62-I243 HydrophobicContact CD1-CD1 3.89Å; F62-I243 HydrophobicContact CG-CD1 3.82Å; F62-F348 HydrophobicContact CB-CD1 4.34Å; F62-F348 HydrophobicContact CB-CE1 3.86Å; F62-F348 HydrophobicContact CD2-CE1 4.28Å; F62-L350 HydrophobicContact CD2-CD1 3.56Å; F62-L350 HydrophobicContact CD2-CD2 4.43Å; F62-L350 HydrophobicContact CD2-CG 3.67Å; F62-L350 HydrophobicContact CE2-CD1 3.4Å; F62-L350 HydrophobicContact CE2-CG 3.87Å; F62-L350 HydrophobicContact CG-CD1 4.21Å; F62-L350 HydrophobicContact CG-CG 4.49Å; F62-L350 HydrophobicContact CZ-CD1 3.94Å
63	A	98.1	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-51.2	178.8	0	0	0	0	0	111	V38 N59 K60 K65 H66 S67 G68 F70	V38-A63 HydrophobicContact CG2-CB 3.91Å; N59-A63 WeakPolarHBondContact O-CB 3.47Å; N59-A63 PolarHBondContact O-N 3.28Å; K60-A63 PolarHBondContact O-N 2.92Å; A63-K65 PolarHBondContact O-N 3.28Å; A63-H66 CarbonylContact O-C 3.47Å; A63-H66 PolarHBondContact O-N 2.92Å; A63-S67 PolarHBondContact O-N 3.39Å; A63-S67 VanDerWaalsContact O-N 3.1Å; A63-G68 WeakPolarHBondContact O-CA 3.2Å; A63-G68 PolarHBondContact O-N 3.28Å; A63-F70 HydrophobicContact CB-CB 3.93Å
64	V	97.6	Very high	97.7	Very high	62 Å²	62	25.2 Å²	25.2	38%	0.376	14%	0.137	S	C	.	.	H	α-helix	trans	-64.6	-43.6	-177.9	179.2	0	0	0	0	110.9	K60 L61 H66 S67 F341 V345	K60-V64 HydrophobicContact CD-CG2 4.34Å; K60-V64 HydrophobicContact CG-CG2 4.24Å; K60-V64 VanDerWaalsContact O-CG2 3.29Å; K60-V64 WeakPolarHBondContact O-CG2 3.38Å; K60-V64 PolarHBondContact O-N 3.11Å; L61-V64 PolarHBondContact O-N 3.29Å; V64-H66 PolarHBondContact O-N 3.36Å; V64-S67 PolarHBondContact O-N 2.94Å; V64-F341 HydrophobicContact CG2-CE1 4.37Å; V64-V345 HydrophobicContact CB-CG1 4.21Å; V64-V345 HydrophobicContact CB-CG2 4.07Å; V64-V345 HydrophobicContact CG1-CG1 3.83Å; V64-V345 HydrophobicContact CG1-CG2 3.96Å
65	K	95.8	Very high	97.8	Very high	74 Å²	74	25.2 Å²	25.2	32%	0.322	14%	0.137	S	C	.	.	H	α-helix	trans	-58	-36.4	179.5	-178	170.8	-175.6	148.3	0	112.6	L61 F62 A63 V345 S346 F348	L61-K65 VanDerWaalsContact O-CB 3.27Å; L61-K65 WeakPolarHBondContact O-CB 3.46Å; L61-K65 PolarHBondContact O-N 3.47Å; F62-K65 PolarHBondContact O-N 3.04Å; A63-K65 PolarHBondContact O-N 3.28Å; K65-V345 HydrophobicContact CB-CG1 4.01Å; K65-V345 WeakPolarHBondContact CD-O 3.03Å; K65-S346 PolarHBondContact NZ-O 3.5Å; K65-F348 WeakPolarHBondContact CD-O 3.1Å; K65-F348 VanDerWaalsContact CE-O 3.25Å; K65-F348 WeakPolarHBondContact CE-O 3.43Å; K65-F348 PolarHBondContact NZ-O 3.4Å
66	H	96.3	Very high	97.8	Very high	91 Å²	91	24.8 Å²	24.8	42%	0.421	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	19.7	-177.6	-62.5	-70.6	0	0	0	113.7	I36 F62 A63 V64 G68	I36-H66 HydrophobicContact CB-CB 4.25Å; I36-H66 HydrophobicContact CG1-CB 3.8Å; I36-H66 HydrophobicContact CG2-CB 4.31Å; F62-H66 AromaticContact CD2-CD2 3.61Å; F62-H66 AromaticContact CD2-NE2 3.82Å; F62-H66 AromaticContact CE2-CD2 3.42Å; F62-H66 VanDerWaalsContact CE2-CD2 3.42Å; F62-H66 WeakPolarHBondContact CE2-CD2 3.3Å; F62-H66 AromaticContact CE2-NE2 3.42Å; F62-H66 WeakPolarHBondContact CE2-NE2 3.43Å; F62-H66 AromaticContact CZ-CD2 3.71Å; F62-H66 PolarHBondContact O-CD2 3.02Å; F62-H66 VanDerWaalsContact O-CD2 3.26Å; F62-H66 PolarHBondContact O-N 3.14Å; A63-H66 CarbonylContact O-C 3.47Å; A63-H66 PolarHBondContact O-N 2.92Å; V64-H66 PolarHBondContact O-N 3.36Å; H66-G68 PolarHBondContact O-N 3.24Å; H66-G68 VanDerWaalsContact O-N 3.08Å
67	S	96.8	Very high	97.5	Very high	120 Å²	120	25.3 Å²	25.3	84%	0.839	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	34.3	-179.4	-56.8	0	0	0	0	113.4	A63 V64	A63-S67 PolarHBondContact O-N 3.39Å; A63-S67 VanDerWaalsContact O-N 3.1Å; V64-S67 PolarHBondContact O-N 2.94Å
68	G	97.6	Very high	97.2	Very high	14 Å²	14	28.5 Å²	28.5	14%	0.144	15%	0.154	C	C	.	.			trans	-95.8	-166.1	-179.5	0	0	0	0	0	113.7	I36 A63 H66	I36-G68 CarbonylContact O-C 3.43Å; I36-G68 WeakPolarHBondContact O-CA 3.44Å; A63-G68 WeakPolarHBondContact O-CA 3.2Å; A63-G68 PolarHBondContact O-N 3.28Å; H66-G68 PolarHBondContact O-N 3.24Å; H66-G68 VanDerWaalsContact O-N 3.08Å
69	K	98.2	Very high	96.8	Very high	94 Å²	94	33.6 Å²	33.6	41%	0.409	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.8	-179.7	-64.1	-68.8	179.5	-178.8	0	111.5	I36 R37 V38 D102	I36-K69 PolarHBondContact O-N 3.48Å; R37-K69 HydrophobicContact CG-CB 4.29Å; V38-K69 PolarHBondContact N-O 3.26Å; K69-D102 HydrophobicContact CB-CB 4.47Å; K69-D102 HydrophobicContact CD-CB 3.71Å; K69-D102 IonicContact NZ-OD1 3.21Å
70	F	98.6	Very high	96.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.3	172.2	171.5	-121.2	0	0	0	110.3	V38 F40 A56 N59 K60 A63 L99 P101 D102	V38-F70 HydrophobicContact CG2-CD2 4.41Å; F40-F70 HydrophobicContact CB-CE2 3.61Å; F40-F70 HydrophobicContact CB-CZ 3.76Å; A56-F70 HydrophobicContact CB-CZ 4.06Å; N59-F70 HydrophobicContact CB-CD2 3.66Å; N59-F70 HydrophobicContact CB-CE2 3.55Å; K60-F70 HydrophobicContact CB-CD1 4.19Å; K60-F70 HydrophobicContact CB-CE1 4.47Å; K60-F70 HydrophobicContact CB-CG 4.23Å; K60-F70 HydrophobicContact CD-CB 3.7Å; K60-F70 HydrophobicContact CD-CD1 3.35Å; K60-F70 HydrophobicContact CD-CE1 4.18Å; K60-F70 HydrophobicContact CD-CG 3.69Å; K60-F70 HydrophobicContact CG-CD1 4.33Å; A63-F70 HydrophobicContact CB-CB 3.93Å; F70-L99 WeakPolarHBondContact CE1-O 3.18Å; F70-P101 HydrophobicContact CD1-CB 4.22Å; F70-P101 HydrophobicContact CD1-CG 4.45Å; F70-P101 HydrophobicContact CE1-CB 4.27Å; F70-P101 HydrophobicContact CE1-CG 4.05Å; F70-P101 CarbonylContact O-C 3.45Å; F70-P101 WeakPolarHBondContact O-CA 3.15Å; F70-D102 PolarHBondContact N-OD2 3.49Å; F70-D102 PolarHBondContact O-N 3.41Å
71	I	98.7	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.3	-170.8	-57	158.4	0	0	0	110.1	R37 V38 R39 F40 E103 Y114 I239	R37-I71 HydrophobicContact CB-CD1 4.36Å; V38-I71 WeakPolarHBondContact O-CB 3.38Å; V38-I71 PolarHBondContact O-N 2.93Å; R39-I71 CarbonylContact C-O 3.58Å; R39-I71 VanDerWaalsContact CA-O 3.29Å; R39-I71 WeakPolarHBondContact CA-O 3.47Å; R39-I71 HydrophobicContact CB-CB 4.24Å; F40-I71 PolarHBondContact N-O 3.18Å; I71-E103 WeakPolarHBondContact CA-O 3.41Å; I71-E103 HydrophobicContact CG1-CB 4.19Å; I71-E103 HydrophobicContact CG2-CB 4.22Å; I71-Y114 HydrophobicContact CG2-CD1 3.6Å; I71-Y114 HydrophobicContact CG2-CE1 3.5Å; I71-Y114 VanDerWaalsContact CG2-CE1 3.5Å; I71-I239 HydrophobicContact CD1-CD1 3.47Å; I71-I239 VanDerWaalsContact CD1-CD1 3.47Å
72	L	98.8	Very high	95.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.3	165.5	172.8	64.3	0	0	0	109.6	F40 P42 I74 I90 I91 L94 P101 E103	F40-L72 HydrophobicContact CD1-CD1 3.85Å; F40-L72 HydrophobicContact CE1-CD1 4.38Å; F40-L72 WeakPolarHBondContact O-CA 3.49Å; P42-L72 HydrophobicContact CG-CD1 4.09Å; L72-I74 HydrophobicContact CD1-CD1 4.03Å; L72-I74 HydrophobicContact CD2-CD1 4.46Å; L72-I74 HydrophobicContact CG-CD1 4.27Å; L72-I90 HydrophobicContact CD1-CG2 4.08Å; L72-I91 HydrophobicContact CD2-CG1 3.91Å; L72-L94 HydrophobicContact CD1-CD1 3.91Å; L72-L94 HydrophobicContact CD2-CD1 3.83Å; L72-L94 HydrophobicContact CG-CD1 4.32Å; L72-P101 HydrophobicContact CB-CB 3.83Å; L72-P101 HydrophobicContact CB-CG 3.55Å; L72-P101 HydrophobicContact CD2-CG 4.26Å; L72-E103 PolarHBondContact N-O 3.44Å
73	R	98.5	Very high	95.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.257	C	S	.	.			trans	-127.5	133.1	170.9	-172.4	-179.4	64.9	-133.2	4.8	110.8	R39 F40 A41 P42 E75 Y114 N230 D233 M237	R39-R73 VanDerWaalsContact CD-NH1 3.29Å; R39-R73 VanDerWaalsContact NH1-CZ 3.28Å; F40-R73 PolarHBondContact O-N 3.45Å; A41-R73 CarbonylContact C-O 3.52Å; A41-R73 VanDerWaalsContact CA-O 3.22Å; A41-R73 WeakPolarHBondContact CA-O 3.47Å; A41-R73 HydrophobicContact CB-CB 4.48Å; P42-R73 WeakPolarHBondContact CD-O 3.24Å; R73-E75 IonicContact CZ-OE1 3.7Å; R73-E75 IonicContact NE-OE1 3.28Å; R73-E75 IonicContact NH2-OE1 3.62Å; R73-E75 PolarHBondContact NH2-OE1 3.44Å; R73-Y114 CarbonylContact C-O 3.51Å; R73-Y114 WeakPolarHBondContact CA-O 3.33Å; R73-Y114 VanDerWaalsContact CG-O 3.32Å; R73-Y114 WeakPolarHBondContact CG-O 3.39Å; R73-N230 PolarHBondContact NH2-OD1 2.92Å; R73-D233 WeakPolarHBondContact CD-OD2 3.37Å; R73-D233 VanDerWaalsContact CZ-CB 3.5Å; R73-D233 IonicContact CZ-OD2 2.88Å; R73-D233 IonicContact NE-OD2 3.88Å; R73-D233 PolarHBondContact NE-OD2 3.2Å; R73-M237 HydrophobicContact CG-CE 4.38Å
74	I	98.3	Very high	95.5	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-94.1	120.4	-179.1	-56.4	-62	0	0	0	110	P42 P44 L72 D76 K87 I90 P105 Y114 I115 Q116	P42-I74 HydrophobicContact CG-CD1 4.38Å; P44-I74 HydrophobicContact CB-CG2 4.15Å; P44-I74 HydrophobicContact CG-CG2 3.68Å; L72-I74 HydrophobicContact CD1-CD1 4.03Å; L72-I74 HydrophobicContact CD2-CD1 4.46Å; L72-I74 HydrophobicContact CG-CD1 4.27Å; I74-D76 HydrophobicContact CG2-CB 4.26Å; I74-D76 PolarHBondContact O-N 3.45Å; I74-K87 HydrophobicContact CD1-CG 4.28Å; I74-K87 HydrophobicContact CG1-CG 4.12Å; I74-K87 HydrophobicContact CG2-CG 4.43Å; I74-I90 HydrophobicContact CD1-CG2 4.29Å; I74-P105 HydrophobicContact CG1-CG 3.83Å; I74-Y114 PolarHBondContact N-O 3.44Å; I74-I115 HydrophobicContact CB-CG1 4.49Å; I74-Q116 PolarHBondContact O-N 3.48Å
75	E	96.7	Very high	95.4	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.033	29%	0.294	C	S	.	.			trans	-97	79.4	-177.3	-58.7	-153.2	154.5	0	0	111.9	A41 P42 S43 P44 R73 Q116 Y226 N230	A41-E75 HydrophobicContact CB-CG 3.99Å; A41-E75 WeakPolarHBondContact CB-OE1 3.27Å; P42-E75 PolarHBondContact O-N 3.24Å; S43-E75 WeakPolarHBondContact CA-O 3.43Å; S43-E75 WeakPolarHBondContact CB-O 3.35Å; S43-E75 PolarHBondContact OG-O 3.39Å; P44-E75 WeakPolarHBondContact CD-O 3.43Å; R73-E75 IonicContact CZ-OE1 3.7Å; R73-E75 IonicContact NE-OE1 3.28Å; R73-E75 IonicContact NH2-OE1 3.62Å; R73-E75 PolarHBondContact NH2-OE1 3.44Å; E75-Q116 VanDerWaalsContact CA-OE1 3.29Å; E75-Q116 VanDerWaalsContact CB-OE1 3.3Å; E75-Q116 HydrophobicContact CG-CG 4.34Å; E75-Q116 PolarHBondContact OE1-NE2 3.04Å; E75-Y226 WeakPolarHBondContact OE2-CD2 3.24Å; E75-Y226 WeakPolarHBondContact OE2-CE2 3.44Å; E75-N230 VanDerWaalsContact OE1-CG 3.25Å; E75-N230 PolarHBondContact OE1-ND2 2.82Å; E75-N230 PolarHBondContact OE1-OD1 3.47Å; E75-N230 PolarHBondContact OE2-ND2 3.18Å; E75-N230 VanDerWaalsContact OE2-ND2 3.08Å
76	D	96.1	Very high	95.4	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.07	28%	0.278	C	S	.	.			trans	-106.2	24.7	-171.8	76.9	-38.8	0	0	0	114.1	P44 I74 D78 K79 V82 I115 Q116 S117	P44-D76 HydrophobicContact CG-CB 3.84Å; I74-D76 HydrophobicContact CG2-CB 4.26Å; I74-D76 PolarHBondContact O-N 3.45Å; D76-D78 VanDerWaalsContact C-N 3.31Å; D76-D78 PolarHBondContact O-N 2.86Å; D76-K79 IonicContact OD2-NZ 2.72Å; D76-K79 PolarHBondContact OD2-NZ 2.93Å; D76-V82 HydrophobicContact CB-CG2 3.95Å; D76-I115 WeakPolarHBondContact OD1-CG2 3.26Å; D76-Q116 PolarHBondContact OD1-N 2.62Å; D76-S117 VanDerWaalsContact CG-OG 3.32Å; D76-S117 VanDerWaalsContact OD1-CB 3.31Å; D76-S117 WeakPolarHBondContact OD1-CB 3.4Å; D76-S117 PolarHBondContact OD1-N 3.24Å; D76-S117 PolarHBondContact OD1-OG 2.75Å; D76-S117 VanDerWaalsContact OD2-CB 3.29Å; D76-S117 WeakPolarHBondContact OD2-CB 3.36Å; D76-S117 PolarHBondContact OD2-OG 2.91Å
77	T	93.2	Very high	95.4	Very high	11 Å²	11	52.1 Å²	52.1	7%	0.067	27%	0.274	C	S	.	.			trans	-69.2	-26.1	-178.3	52.9	0	0	0	0	113.5	K79 Q116 K219 M223 P224 A229	T77-K79 PolarHBondContact O-N 3.18Å; T77-Q116 HydrophobicContact CG2-CB 3.59Å; T77-Q116 HydrophobicContact CG2-CG 4.46Å; T77-K219 PolarHBondContact O-NZ 3.28Å; T77-M223 HydrophobicContact CG2-CE 4.3Å; T77-P224 HydrophobicContact CG2-CG 3.91Å; T77-A229 HydrophobicContact CG2-CB 4.34Å
78	D	91	Very high	95.4	Very high	66 Å²	66	50.8 Å²	50.8	35%	0.353	26%	0.258	S	S	.	.			trans	-92	79.3	171	-171.8	-1.9	0	0	0	111.1	D76 S80 R81	D76-D78 VanDerWaalsContact C-N 3.31Å; D76-D78 PolarHBondContact O-N 2.86Å; D78-S80 PolarHBondContact O-N 2.87Å; D78-S80 PolarHBondContact OD1-N 3.27Å; D78-S80 PolarHBondContact OD1-OG 3.35Å; D78-R81 PolarHBondContact O-N 3.19Å; D78-R81 WeakPolarHBondContact OD2-CD 3.35Å; D78-R81 WeakPolarHBondContact OD2-CG 3.36Å
79	K	88.9	Confident	95.4	Very high	107 Å²	107	50.5 Å²	50.5	47%	0.465	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-26.4	-178	-65.1	-64.8	-177.1	-176.4	0	113.9	D76 T77 R81 V82 S117	D76-K79 IonicContact OD2-NZ 2.72Å; D76-K79 PolarHBondContact OD2-NZ 2.93Å; T77-K79 PolarHBondContact O-N 3.18Å; K79-R81 PolarHBondContact O-N 3.01Å; K79-V82 PolarHBondContact O-N 3.4Å; K79-S117 PolarHBondContact NZ-OG 3.48Å
80	S	92	Very high	95.4	Very high	106 Å²	106	46.1 Å²	46.1	74%	0.741	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.8	-180	74	0	0	0	0	113.6	D78	D78-S80 PolarHBondContact O-N 2.87Å; D78-S80 PolarHBondContact OD1-N 3.27Å; D78-S80 PolarHBondContact OD1-OG 3.35Å
81	R	91.6	Very high	95.4	Very high	140 Å²	140	48 Å²	48	53%	0.528	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-10.7	-178.4	-63.3	179.1	62.8	-164.9	-6.7	113.3	T45 D78 K79 Q83	T45-R81 VanDerWaalsContact CA-O 3.31Å; T45-R81 WeakPolarHBondContact CA-O 3.36Å; T45-R81 WeakPolarHBondContact CB-O 3.3Å; T45-R81 HydrophobicContact CG2-CB 3.68Å; T45-R81 WeakPolarHBondContact CG2-O 3.36Å; D78-R81 PolarHBondContact O-N 3.19Å; D78-R81 WeakPolarHBondContact OD2-CD 3.35Å; D78-R81 WeakPolarHBondContact OD2-CG 3.36Å; K79-R81 PolarHBondContact O-N 3.01Å; R81-Q83 PolarHBondContact O-N 3.17Å
82	V	93.4	Very high	95.3	Very high	44 Å²	44	52.6 Å²	52.6	27%	0.267	27%	0.265	S	S	.	.			trans	-65	128.1	-178.1	175.8	0	0	0	0	109.7	P44 D76 K79	P44-V82 HydrophobicContact CG-CG1 4.16Å; P44-V82 HydrophobicContact CG-CG2 4.22Å; P44-V82 CarbonylContact O-C 3.42Å; P44-V82 WeakPolarHBondContact O-CA 3.2Å; D76-V82 HydrophobicContact CB-CG2 3.95Å; K79-V82 PolarHBondContact O-N 3.4Å
83	Q	94.9	Very high	95.3	Very high	74 Å²	74	52.5 Å²	52.5	35%	0.346	27%	0.265	S	S	.	.			trans	-103.8	128.1	172	-65.5	-62.1	-43.1	0	0	108.5	P44 T45 R81 Y85 A86	P44-Q83 PolarHBondContact O-N 3.07Å; T45-Q83 WeakPolarHBondContact O-CG 3.4Å; R81-Q83 PolarHBondContact O-N 3.17Å; Q83-Y85 VanDerWaalsContact C-N 3.28Å; Q83-Y85 HydrophobicContact CB-CD1 4.31Å; Q83-Y85 HydrophobicContact CB-CE1 3.88Å; Q83-Y85 HydrophobicContact CG-CE1 4.43Å; Q83-Y85 PolarHBondContact O-N 2.9Å; Q83-A86 HydrophobicContact CB-CB 3.86Å; Q83-A86 WeakPolarHBondContact O-CB 3.43Å; Q83-A86 PolarHBondContact O-N 3.36Å
84	P	92.6	Very high	95.3	Very high	113 Å²	113	52.6 Å²	52.6	73%	0.734	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-40.6	-173.6	-29.2	35.1	0	0	0	114.4
85	Y	95.3	Very high	95.2	Very high	104 Å²	104	59 Å²	59	41%	0.408	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-16.3	-178.7	63.3	-90.8	0	0	0	114.1	F47 Q83 K87 D88 D89	F47-Y85 HydrophobicContact CD1-CD2 4.45Å; F47-Y85 HydrophobicContact CD1-CE2 4.12Å; F47-Y85 HydrophobicContact CD2-CE2 4.09Å; F47-Y85 HydrophobicContact CE1-CD2 4.02Å; F47-Y85 AromaticContact CE1-CE2 3.86Å; F47-Y85 HydrophobicContact CE1-CE2 3.86Å; F47-Y85 AromaticContact CE2-CE2 3.84Å; F47-Y85 HydrophobicContact CE2-CE2 3.84Å; F47-Y85 HydrophobicContact CG-CE2 4.22Å; F47-Y85 HydrophobicContact CZ-CD2 4.15Å; F47-Y85 AromaticContact CZ-CE2 3.71Å; F47-Y85 HydrophobicContact CZ-CE2 3.71Å; Q83-Y85 VanDerWaalsContact C-N 3.28Å; Q83-Y85 HydrophobicContact CB-CD1 4.31Å; Q83-Y85 HydrophobicContact CB-CE1 3.88Å; Q83-Y85 HydrophobicContact CG-CE1 4.43Å; Q83-Y85 PolarHBondContact O-N 2.9Å; Y85-K87 PolarHBondContact O-N 2.96Å; Y85-D88 PolarHBondContact O-N 3.25Å; Y85-D89 PolarHBondContact O-N 2.82Å
86	A	96.5	Very high	95.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-70.2	-33.1	-168.3	0	0	0	0	0	113.4	P44 G46 Q83 D88 I90	P44-A86 VanDerWaalsContact C-CB 3.43Å; P44-A86 HydrophobicContact CB-CB 3.96Å; P44-A86 WeakPolarHBondContact O-CB 3.39Å; G46-A86 WeakPolarHBondContact O-CB 3.39Å; Q83-A86 HydrophobicContact CB-CB 3.86Å; Q83-A86 WeakPolarHBondContact O-CB 3.43Å; Q83-A86 PolarHBondContact O-N 3.36Å; A86-D88 VanDerWaalsContact C-N 3.35Å; A86-I90 WeakPolarHBondContact O-CB 3.23Å; A86-I90 WeakPolarHBondContact O-CD1 3.36Å; A86-I90 WeakPolarHBondContact O-CG1 3.32Å; A86-I90 PolarHBondContact O-N 3.29Å
87	K	96.5	Very high	95.3	Very high	77 Å²	77	61.1 Å²	61.1	34%	0.335	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-47.1	175.3	-177.5	-169.5	66.1	170.6	0	110.6	P44 I74 Y85 I90 I91	P44-K87 HydrophobicContact CB-CB 4.36Å; I74-K87 HydrophobicContact CD1-CG 4.28Å; I74-K87 HydrophobicContact CG1-CG 4.12Å; I74-K87 HydrophobicContact CG2-CG 4.43Å; Y85-K87 PolarHBondContact O-N 2.96Å; K87-I90 PolarHBondContact O-N 3.37Å; K87-I91 HydrophobicContact CG-CD1 4.24Å; K87-I91 WeakPolarHBondContact O-CG1 3.5Å; K87-I91 PolarHBondContact O-N 2.82Å; K87-I91 VanDerWaalsContact O-N 3.14Å
88	D	96.9	Very high	95.5	Very high	93 Å²	93	62.9 Å²	62.9	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-70.6	-39.3	-177	-59	-22.4	0	0	0	110.4	Y85 A86 I90 I91 E92	Y85-D88 PolarHBondContact O-N 3.25Å; A86-D88 VanDerWaalsContact C-N 3.35Å; D88-I90 VanDerWaalsContact C-N 3.34Å; D88-I90 PolarHBondContact O-N 2.93Å; D88-I91 PolarHBondContact O-N 3.32Å; D88-E92 VanDerWaalsContact O-CB 3.3Å; D88-E92 WeakPolarHBondContact O-CB 3.3Å; D88-E92 PolarHBondContact O-N 3.42Å
89	D	97.3	Very high	95.8	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-39.5	172	175.1	75.7	0	0	0	113	F47 M48 Y85 E92 S93	F47-D89 VanDerWaalsContact CA-OD2 3.24Å; F47-D89 WeakPolarHBondContact CA-OD2 3.33Å; F47-D89 HydrophobicContact CD1-CB 4.24Å; F47-D89 WeakPolarHBondContact CD1-OD1 3.43Å; M48-D89 PolarHBondContact N-OD2 3.02Å; Y85-D89 PolarHBondContact O-N 2.82Å; D89-E92 PolarHBondContact O-N 3.36Å; D89-S93 WeakPolarHBondContact O-CB 3.46Å; D89-S93 PolarHBondContact O-N 3.36Å; D89-S93 PolarHBondContact O-OG 3.1Å
90	I	98.2	Very high	96.2	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-46.9	175.1	-74.1	161.1	0	0	0	110.5	F40 P42 P44 M48 L72 I74 A86 K87 D88 S93 L94	F40-I90 HydrophobicContact CE1-CG2 4.19Å; P42-I90 HydrophobicContact CB-CD1 3.99Å; P42-I90 HydrophobicContact CG-CD1 3.88Å; P42-I90 HydrophobicContact CG-CG1 4.46Å; P42-I90 HydrophobicContact CG-CG2 3.82Å; P44-I90 HydrophobicContact CB-CD1 4.34Å; M48-I90 HydrophobicContact CB-CG1 4.23Å; M48-I90 HydrophobicContact SD-CG1 4.46Å; M48-I90 HydrophobicContact SD-CG2 4.33Å; L72-I90 HydrophobicContact CD1-CG2 4.08Å; I74-I90 HydrophobicContact CD1-CG2 4.29Å; A86-I90 WeakPolarHBondContact O-CB 3.23Å; A86-I90 WeakPolarHBondContact O-CD1 3.36Å; A86-I90 WeakPolarHBondContact O-CG1 3.32Å; A86-I90 PolarHBondContact O-N 3.29Å; K87-I90 PolarHBondContact O-N 3.37Å; D88-I90 VanDerWaalsContact C-N 3.34Å; D88-I90 PolarHBondContact O-N 2.93Å; I90-S93 PolarHBondContact O-N 2.88Å; I90-L94 HydrophobicContact CG2-CD1 4.33Å; I90-L94 WeakPolarHBondContact O-CG 3.4Å; I90-L94 PolarHBondContact O-N 3.39Å
91	I	97.6	Very high	96.5	Very high	39 Å²	39	54.9 Å²	54.9	20%	0.2	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-46.2	-179.9	-67.6	165.3	0	0	0	110.2	L72 K87 D88 S93 L94 H95 T106	L72-I91 HydrophobicContact CD2-CG1 3.91Å; K87-I91 HydrophobicContact CG-CD1 4.24Å; K87-I91 WeakPolarHBondContact O-CG1 3.5Å; K87-I91 PolarHBondContact O-N 2.82Å; K87-I91 VanDerWaalsContact O-N 3.14Å; D88-I91 PolarHBondContact O-N 3.32Å; I91-S93 PolarHBondContact O-N 3.4Å; I91-L94 PolarHBondContact O-N 3.3Å; I91-H95 PolarHBondContact O-N 3.39Å; I91-T106 HydrophobicContact CD1-CG2 4.03Å
92	E	97	Very high	96.8	Very high	96 Å²	96	50.9 Å²	50.9	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-39.9	179.5	-164.7	-171.6	-170.5	0	0	111.8	D88 D89 L94 H95 W96 R300	D88-E92 VanDerWaalsContact O-CB 3.3Å; D88-E92 WeakPolarHBondContact O-CB 3.3Å; D88-E92 PolarHBondContact O-N 3.42Å; D89-E92 PolarHBondContact O-N 3.36Å; E92-L94 PolarHBondContact O-N 3.33Å; E92-H95 PolarHBondContact O-N 3.01Å; E92-W96 WeakPolarHBondContact O-CB 3.34Å; E92-W96 PolarHBondContact O-N 3.03Å; E92-R300 VanDerWaalsContact CD-CZ 3.44Å; E92-R300 IonicContact OE1-CZ 3.39Å; E92-R300 IonicContact OE1-NH1 3.53Å; E92-R300 IonicContact OE1-NH2 2.92Å; E92-R300 PolarHBondContact OE1-NH2 3.3Å; E92-R300 IonicContact OE2-CZ 3.24Å; E92-R300 IonicContact OE2-NH1 3.05Å; E92-R300 PolarHBondContact OE2-NH1 3.22Å; E92-R300 IonicContact OE2-NH2 3.46Å; E92-R300 PolarHBondContact OE2-NH2 3.44Å
93	S	98.1	Very high	97.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-41.9	175	-69.8	0	0	0	0	112.1	M48 D89 I90 I91 S97	M48-S93 VanDerWaalsContact SD-CB 3.57Å; D89-S93 WeakPolarHBondContact O-CB 3.46Å; D89-S93 PolarHBondContact O-N 3.36Å; D89-S93 PolarHBondContact O-OG 3.1Å; I90-S93 PolarHBondContact O-N 2.88Å; I91-S93 PolarHBondContact O-N 3.4Å; S93-S97 WeakPolarHBondContact O-CB 3.39Å; S93-S97 PolarHBondContact O-N 2.99Å; S93-S97 PolarHBondContact O-OG 2.91Å; S93-S97 VanDerWaalsContact O-OG 3.1Å
94	L	98.5	Very high	97.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-43.7	174.8	-70.5	172.7	0	0	0	111.6	F40 M48 A56 L72 I90 I91 E92 S97 G98 L99 P101	F40-L94 HydrophobicContact CD1-CD1 4.06Å; F40-L94 HydrophobicContact CD1-CD2 4.26Å; F40-L94 HydrophobicContact CE1-CD1 4.29Å; F40-L94 HydrophobicContact CE1-CD2 4.35Å; M48-L94 HydrophobicContact CE-CD2 3.91Å; M48-L94 HydrophobicContact CE-CG 4.35Å; M48-L94 HydrophobicContact SD-CG 4.48Å; A56-L94 HydrophobicContact CB-CD2 3.57Å; L72-L94 HydrophobicContact CD1-CD1 3.91Å; L72-L94 HydrophobicContact CD2-CD1 3.83Å; L72-L94 HydrophobicContact CG-CD1 4.32Å; I90-L94 HydrophobicContact CG2-CD1 4.33Å; I90-L94 WeakPolarHBondContact O-CG 3.4Å; I90-L94 PolarHBondContact O-N 3.39Å; I91-L94 PolarHBondContact O-N 3.3Å; E92-L94 PolarHBondContact O-N 3.33Å; L94-S97 WeakPolarHBondContact CA-OG 3.25Å; L94-S97 PolarHBondContact O-N 3.31Å; L94-S97 PolarHBondContact O-OG 3.5Å; L94-G98 PolarHBondContact O-N 2.98Å; L94-G98 VanDerWaalsContact O-N 3.17Å; L94-L99 HydrophobicContact CD2-CB 4.03Å; L94-L99 HydrophobicContact CD2-CD1 4.49Å; L94-L99 PolarHBondContact O-N 2.84Å; L94-P101 HydrophobicContact CD1-CG 4.12Å
95	H	97.3	Very high	97.4	Very high	138 Å²	138	42.8 Å²	42.8	64%	0.639	22%	0.219	S	C	*	.	H	α-helix	trans	-61.3	-49.5	176.7	-175.8	-88.5	0	0	0	111.9	I91 E92 S97 G98	I91-H95 PolarHBondContact O-N 3.39Å; E92-H95 PolarHBondContact O-N 3.01Å; H95-S97 VanDerWaalsContact C-N 3.29Å; H95-S97 PolarHBondContact O-N 3.47Å; H95-G98 PolarHBondContact O-N 3.26Å
96	W	97.1	Very high	97.4	Very high	55 Å²	55	42.7 Å²	42.7	21%	0.208	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-41.8	176.3	167.9	81.3	0	0	0	112.2	E92 G98 V296 L299 R300 Y304 P306 V309	E92-W96 WeakPolarHBondContact O-CB 3.34Å; E92-W96 PolarHBondContact O-N 3.03Å; W96-G98 PolarHBondContact O-N 2.86Å; W96-V296 HydrophobicContact CE3-CG1 3.66Å; W96-V296 HydrophobicContact CZ3-CG1 3.58Å; W96-L299 HydrophobicContact CH2-CB 4.27Å; W96-R300 HydrophobicContact CB-CG 4.49Å; W96-R300 HydrophobicContact CD2-CG 3.35Å; W96-R300 HydrophobicContact CE3-CG 3.78Å; W96-R300 HydrophobicContact CG-CG 3.67Å; W96-R300 HydrophobicContact CH2-CG 4.19Å; W96-R300 HydrophobicContact CZ2-CG 3.81Å; W96-R300 HydrophobicContact CZ3-CG 4.2Å; W96-Y304 WeakPolarHBondContact CZ2-O 3.16Å; W96-P306 HydrophobicContact CD2-CB 4.13Å; W96-P306 HydrophobicContact CD2-CG 4.22Å; W96-P306 HydrophobicContact CE3-CB 4.3Å; W96-P306 HydrophobicContact CH2-CB 4.2Å; W96-P306 HydrophobicContact CZ2-CB 4.02Å; W96-P306 HydrophobicContact CZ2-CG 4.11Å; W96-P306 HydrophobicContact CZ3-CB 4.32Å; W96-P306 VanDerWaalsContact O-CB 3.26Å; W96-P306 WeakPolarHBondContact O-CB 2.98Å; W96-P306 WeakPolarHBondContact O-CG 3.24Å; W96-V309 HydrophobicContact CH2-CB 4.43Å; W96-V309 HydrophobicContact CH2-CG2 4.1Å
97	S	97.3	Very high	97.4	Very high	8 Å²	8	47 Å²	47	6%	0.056	26%	0.256	C	S	.	.	H	α-helix	trans	-73.4	-9.3	177.9	68.3	0	0	0	0	114.6	S93 L94 H95 L99 L310	S93-S97 WeakPolarHBondContact O-CB 3.39Å; S93-S97 PolarHBondContact O-N 2.99Å; S93-S97 PolarHBondContact O-OG 2.91Å; S93-S97 VanDerWaalsContact O-OG 3.1Å; L94-S97 WeakPolarHBondContact CA-OG 3.25Å; L94-S97 PolarHBondContact O-N 3.31Å; L94-S97 PolarHBondContact O-OG 3.5Å; H95-S97 VanDerWaalsContact C-N 3.29Å; H95-S97 PolarHBondContact O-N 3.47Å; S97-L99 PolarHBondContact O-N 3Å; S97-L99 WeakPolarHBondContact OG-CB 3.47Å; S97-L99 WeakPolarHBondContact OG-CG 3.37Å; S97-L99 PolarHBondContact OG-N 3.34Å; S97-L310 VanDerWaalsContact O-CD1 3.3Å; S97-L310 WeakPolarHBondContact O-CD1 3.42Å
98	G	96.6	Very high	97.3	Very high	48 Å²	48	44.8 Å²	44.8	50%	0.495	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	5.6	-172.6	0	0	0	0	0	114.3	L94 H95 W96 I100	L94-G98 PolarHBondContact O-N 2.98Å; L94-G98 VanDerWaalsContact O-N 3.17Å; H95-G98 PolarHBondContact O-N 3.26Å; W96-G98 PolarHBondContact O-N 2.86Å; G98-I100 PolarHBondContact O-N 2.91Å
99	L	98.1	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.25	C	C	.	.			trans	-83.1	58.9	178.1	-59.9	-179.8	0	0	0	111.3	L53 A56 L57 K60 F70 L94 S97 P101 L310 F341	L53-L99 HydrophobicContact CD1-CD1 3.83Å; A56-L99 HydrophobicContact CB-CD1 4.03Å; L57-L99 HydrophobicContact CB-CD1 4Å; L57-L99 HydrophobicContact CD1-CD2 3.98Å; K60-L99 HydrophobicContact CB-CD2 3.98Å; K60-L99 HydrophobicContact CG-CD2 4.07Å; F70-L99 WeakPolarHBondContact CE1-O 3.18Å; L94-L99 HydrophobicContact CD2-CB 4.03Å; L94-L99 HydrophobicContact CD2-CD1 4.49Å; L94-L99 PolarHBondContact O-N 2.84Å; S97-L99 PolarHBondContact O-N 3Å; S97-L99 WeakPolarHBondContact OG-CB 3.47Å; S97-L99 WeakPolarHBondContact OG-CG 3.37Å; S97-L99 PolarHBondContact OG-N 3.34Å; L99-P101 VanDerWaalsContact O-CD 3.31Å; L99-P101 WeakPolarHBondContact O-CD 3.32Å; L99-L310 HydrophobicContact CD1-CD2 3.89Å; L99-L310 HydrophobicContact CD2-CD1 3.86Å; L99-L310 HydrophobicContact CG-CD1 4.13Å; L99-L310 HydrophobicContact CG-CD2 4.28Å; L99-F341 HydrophobicContact CD2-CE2 3.91Å
100	I	97.4	Very high	97.1	Very high	95 Å²	95	49.3 Å²	49.3	49%	0.487	29%	0.288	S	S	.	.			trans	-68.6	121.8	-175	-56.8	174.8	0	0	0	110.1	K60 G98	K60-I100 PolarHBondContact NZ-O 3.26Å; G98-I100 PolarHBondContact O-N 2.91Å
101	P	98.3	Very high	97	Very high	16 Å²	16	51.7 Å²	51.7	10%	0.104	30%	0.297	C	S	.	.			trans	-67.7	141.1	173.4	-17.5	31.4	0	0	0	112.4	F70 L72 L94 L99 E103	F70-P101 HydrophobicContact CD1-CB 4.22Å; F70-P101 HydrophobicContact CD1-CG 4.45Å; F70-P101 HydrophobicContact CE1-CB 4.27Å; F70-P101 HydrophobicContact CE1-CG 4.05Å; F70-P101 CarbonylContact O-C 3.45Å; F70-P101 WeakPolarHBondContact O-CA 3.15Å; L72-P101 HydrophobicContact CB-CB 3.83Å; L72-P101 HydrophobicContact CB-CG 3.55Å; L72-P101 HydrophobicContact CD2-CG 4.26Å; L94-P101 HydrophobicContact CD1-CG 4.12Å; L99-P101 VanDerWaalsContact O-CD 3.31Å; L99-P101 WeakPolarHBondContact O-CD 3.32Å; P101-E103 VanDerWaalsContact C-N 3.31Å; P101-E103 WeakPolarHBondContact CB-O 3.43Å
102	D	98.2	Very high	96.9	Very high	57 Å²	57	52.3 Å²	52.3	31%	0.305	31%	0.313	S	S	.	.	S	Bend	trans	-70.6	-31.4	171.8	-63.5	-90	0	0	0	111.7	K60 K69 F70	K60-D102 IonicContact NZ-OD2 2.7Å; K60-D102 PolarHBondContact NZ-OD2 3.03Å; K69-D102 HydrophobicContact CB-CB 4.47Å; K69-D102 HydrophobicContact CD-CB 3.71Å; K69-D102 IonicContact NZ-OD1 3.21Å; F70-D102 PolarHBondContact N-OD2 3.49Å; F70-D102 PolarHBondContact O-N 3.41Å
103	E	98.4	Very high	96.9	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.089	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-136.6	138.3	176.5	-63.7	169.7	-152.7	0	0	108.9	R37 I71 L72 P101 G108 Y114	R37-E103 IonicContact CZ-OE1 2.64Å; R37-E103 IonicContact CZ-OE2 3.18Å; R37-E103 IonicContact NH1-OE1 3.26Å; R37-E103 PolarHBondContact NH1-OE1 3.42Å; R37-E103 IonicContact NH1-OE2 2.81Å; R37-E103 VanDerWaalsContact NH2-CD 3.31Å; R37-E103 IonicContact NH2-OE1 3.56Å; R37-E103 PolarHBondContact NH2-OE1 3.04Å; R37-E103 VanDerWaalsContact NH2-OE1 3.11Å; R37-E103 IonicContact NH2-OE2 2.88Å; R37-E103 PolarHBondContact NH2-OE2 3.3Å; I71-E103 WeakPolarHBondContact CA-O 3.41Å; I71-E103 HydrophobicContact CG1-CB 4.19Å; I71-E103 HydrophobicContact CG2-CB 4.22Å; L72-E103 PolarHBondContact N-O 3.44Å; P101-E103 VanDerWaalsContact C-N 3.31Å; P101-E103 WeakPolarHBondContact CB-O 3.43Å; E103-G108 VanDerWaalsContact CA-O 3.31Å; E103-G108 WeakPolarHBondContact CA-O 3.41Å; E103-G108 WeakPolarHBondContact CB-O 3.27Å; E103-Y114 HydrophobicContact CB-CE1 3.79Å; E103-Y114 HydrophobicContact CB-CE2 4.45Å; E103-Y114 PolarHBondContact OE2-OH 3.23Å
104	S	97.9	Very high	96.9	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-164.8	173	-174.6	74.2	0	0	0	0	111.6	T106 T107 G108	S104-T106 PolarHBondContact O-N 3.39Å; S104-T106 PolarHBondContact OG-N 3.26Å; S104-T106 PolarHBondContact OG-OG1 3.49Å; S104-T107 PolarHBondContact O-N 3.15Å; S104-T107 WeakPolarHBondContact OG-CB 3.34Å; S104-T107 PolarHBondContact OG-N 2.93Å; S104-T107 PolarHBondContact OG-OG1 2.98Å; S104-G108 PolarHBondContact N-O 3.38Å; S104-G108 VanDerWaalsContact O-CA 3.31Å; S104-G108 WeakPolarHBondContact O-CA 3.3Å; S104-G108 PolarHBondContact O-N 3.4Å
105	P	97.3	Very high	96.8	Very high	40 Å²	40	50.2 Å²	50.2	26%	0.26	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.5	171.6	-25.6	35	0	0	0	114.3	I74 I115	I74-P105 HydrophobicContact CG1-CG 3.83Å; P105-I115 HydrophobicContact CB-CD1 4.08Å; P105-I115 HydrophobicContact CB-CG1 3.98Å; P105-I115 HydrophobicContact CG-CG1 3.93Å
106	T	95.6	Very high	96.8	Very high	101 Å²	101	43.7 Å²	43.7	62%	0.62	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-36.2	-178.6	50.9	0	0	0	0	112.8	I91 S104	I91-T106 HydrophobicContact CD1-CG2 4.03Å; S104-T106 PolarHBondContact O-N 3.39Å; S104-T106 PolarHBondContact OG-N 3.26Å; S104-T106 PolarHBondContact OG-OG1 3.49Å
107	T	94.8	Very high	96.7	Very high	91 Å²	91	42.3 Å²	42.3	56%	0.558	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-25.5	-179.9	-46.1	0	0	0	0	111.8	S104	S104-T107 PolarHBondContact O-N 3.15Å; S104-T107 WeakPolarHBondContact OG-CB 3.34Å; S104-T107 PolarHBondContact OG-N 2.93Å; S104-T107 PolarHBondContact OG-OG1 2.98Å
108	G	95.3	Very high	96.7	Very high	30 Å²	30	47.6 Å²	47.6	31%	0.309	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	74.5	-161.4	-170.4	0	0	0	0	0	112.7	E103 S104	E103-G108 VanDerWaalsContact CA-O 3.31Å; E103-G108 WeakPolarHBondContact CA-O 3.41Å; E103-G108 WeakPolarHBondContact CB-O 3.27Å; S104-G108 PolarHBondContact N-O 3.38Å; S104-G108 VanDerWaalsContact O-CA 3.31Å; S104-G108 WeakPolarHBondContact O-CA 3.3Å; S104-G108 PolarHBondContact O-N 3.4Å
109	G	94.7	Very high	96.7	Very high	38 Å²	38	46.3 Å²	46.3	39%	0.392	28%	0.28	S	S	.	.			trans	160.9	178.9	179.8	0	0	0	0	0	110.6	Y111 Y114	G109-Y111 VanDerWaalsContact C-N 3.31Å; G109-Y111 PolarHBondContact O-N 2.85Å; G109-Y114 WeakPolarHBondContact CA-OH 3.47Å
110	N	95.1	Very high	96.6	Very high	158 Å²	158	51.3 Å²	51.3	85%	0.845	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	3.3	-169.9	-65	-24.2	0	0	0	114.3
111	Y	96.4	Very high	96.6	Very high	52 Å²	52	51.5 Å²	51.5	20%	0.204	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	23.1	-168.2	-57.8	-84.1	0	0	0	113.9	R37 G109 R119 H236 E238	R37-Y111 VanDerWaalsContact NH2-CD2 3.32Å; G109-Y111 VanDerWaalsContact C-N 3.31Å; G109-Y111 PolarHBondContact O-N 2.85Å; Y111-R119 PolarHBondContact O-NH2 3.44Å; Y111-H236 WeakPolarHBondContact CD1-O 2.98Å; Y111-E238 HydrophobicContact CE1-CB 4.34Å; Y111-E238 HydrophobicContact CE1-CG 3.82Å; Y111-E238 PolarHBondContact OH-OE2 3.42Å
112	G	95.3	Very high	96.5	Very high	52 Å²	52	52.8 Å²	52.8	54%	0.536	31%	0.312	S	S	.	.	S	Bend	trans	81.9	-154	-179.3	0	0	0	0	0	113	Y114	G112-Y114 WeakPolarHBondContact O-CD2 3.34Å; G112-Y114 VanDerWaalsContact O-CE2 3.3Å; G112-Y114 WeakPolarHBondContact O-CE2 3.4Å
113	S	97.4	Very high	96.5	Very high	32 Å²	32	50.1 Å²	50.1	22%	0.224	30%	0.298	C	S	.	.			trans	-70.1	139.7	-179.1	179.5	0	0	0	0	112.2	I115 E118 R119 M237	S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact OG-N 3.3Å; S113-I115 PolarHBondContact OG-O 2.96Å; S113-E118 VanDerWaalsContact CB-OE2 3.31Å; S113-E118 WeakPolarHBondContact CB-OE2 3.48Å; S113-E118 PolarHBondContact OG-OE2 2.98Å; S113-R119 WeakPolarHBondContact O-CD 3.27Å; S113-M237 WeakPolarHBondContact O-CE 3.16Å
114	Y	97.9	Very high	96.5	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.012	31%	0.31	C	S	.	.	S	Bend	trans	-94.4	16.8	171.9	-63.5	-94.2	0	0	0	112.2	I71 R73 I74 E103 G109 G112 M237	I71-Y114 HydrophobicContact CG2-CD1 3.6Å; I71-Y114 HydrophobicContact CG2-CE1 3.5Å; I71-Y114 VanDerWaalsContact CG2-CE1 3.5Å; R73-Y114 CarbonylContact C-O 3.51Å; R73-Y114 WeakPolarHBondContact CA-O 3.33Å; R73-Y114 VanDerWaalsContact CG-O 3.32Å; R73-Y114 WeakPolarHBondContact CG-O 3.39Å; I74-Y114 PolarHBondContact N-O 3.44Å; E103-Y114 HydrophobicContact CB-CE1 3.79Å; E103-Y114 HydrophobicContact CB-CE2 4.45Å; E103-Y114 PolarHBondContact OE2-OH 3.23Å; G109-Y114 WeakPolarHBondContact CA-OH 3.47Å; G112-Y114 WeakPolarHBondContact O-CD2 3.34Å; G112-Y114 VanDerWaalsContact O-CE2 3.3Å; G112-Y114 WeakPolarHBondContact O-CE2 3.4Å; Y114-M237 HydrophobicContact CD1-CE 3.66Å; Y114-M237 HydrophobicContact CD1-SD 4.37Å; Y114-M237 HydrophobicContact CE1-CE 3.93Å; Y114-M237 HydrophobicContact CE1-SD 4.39Å; Y114-M237 HydrophobicContact CG-CE 4.17Å
115	I	97.6	Very high	96.5	Very high	20 Å²	20	55.3 Å²	55.3	10%	0.103	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-115.6	117.1	172.7	-60.3	172.7	0	0	0	107.6	I74 D76 P105 S113 S117 E118	I74-I115 HydrophobicContact CB-CG1 4.49Å; D76-I115 WeakPolarHBondContact OD1-CG2 3.26Å; P105-I115 HydrophobicContact CB-CD1 4.08Å; P105-I115 HydrophobicContact CB-CG1 3.98Å; P105-I115 HydrophobicContact CG-CG1 3.93Å; S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact OG-N 3.3Å; S113-I115 PolarHBondContact OG-O 2.96Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.39Å; I115-E118 HydrophobicContact CB-CG 4.15Å; I115-E118 WeakPolarHBondContact CD1-OE1 3.34Å; I115-E118 HydrophobicContact CG2-CG 4.13Å; I115-E118 PolarHBondContact O-N 3.31Å; I115-E118 VanDerWaalsContact O-N 3.17Å
116	Q	97.2	Very high	96.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-59.4	-40.3	-171.4	-73.9	-168	-36.8	0	0	112.9	I74 E75 D76 T77 E118 R119 Y123 D233	I74-Q116 PolarHBondContact O-N 3.48Å; E75-Q116 VanDerWaalsContact CA-OE1 3.29Å; E75-Q116 VanDerWaalsContact CB-OE1 3.3Å; E75-Q116 HydrophobicContact CG-CG 4.34Å; E75-Q116 PolarHBondContact OE1-NE2 3.04Å; D76-Q116 PolarHBondContact OD1-N 2.62Å; T77-Q116 HydrophobicContact CG2-CB 3.59Å; T77-Q116 HydrophobicContact CG2-CG 4.46Å; Q116-E118 PolarHBondContact O-N 2.84Å; Q116-E118 VanDerWaalsContact O-N 3.12Å; Q116-R119 WeakPolarHBondContact O-CB 3.46Å; Q116-R119 PolarHBondContact O-N 3.27Å; Q116-Y123 HydrophobicContact CB-CE2 4.48Å; Q116-Y123 WeakPolarHBondContact O-CE2 3.31Å; Q116-D233 VanDerWaalsContact CG-OD2 3.27Å; Q116-D233 WeakPolarHBondContact CG-OD2 3.49Å; Q116-D233 PolarHBondContact NE2-OD2 3.49Å
117	S	95	Very high	96.7	Very high	26 Å²	26	49.5 Å²	49.5	18%	0.182	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-63.2	-22.9	-177.2	68.1	0	0	0	0	114.5	D76 K79 I115 R119	D76-S117 VanDerWaalsContact CG-OG 3.32Å; D76-S117 VanDerWaalsContact OD1-CB 3.31Å; D76-S117 WeakPolarHBondContact OD1-CB 3.4Å; D76-S117 PolarHBondContact OD1-N 3.24Å; D76-S117 PolarHBondContact OD1-OG 2.75Å; D76-S117 VanDerWaalsContact OD2-CB 3.29Å; D76-S117 WeakPolarHBondContact OD2-CB 3.36Å; D76-S117 PolarHBondContact OD2-OG 2.91Å; K79-S117 PolarHBondContact NZ-OG 3.48Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.39Å; S117-R119 VanDerWaalsContact C-N 3.29Å
118	E	96.4	Very high	96.8	Very high	120 Å²	120	48.2 Å²	48.2	56%	0.561	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-78.9	-14.5	175.7	-61.7	176.9	-177.9	0	0	112.4	S113 I115 Q116	S113-E118 VanDerWaalsContact CB-OE2 3.31Å; S113-E118 WeakPolarHBondContact CB-OE2 3.48Å; S113-E118 PolarHBondContact OG-OE2 2.98Å; I115-E118 HydrophobicContact CB-CG 4.15Å; I115-E118 WeakPolarHBondContact CD1-OE1 3.34Å; I115-E118 HydrophobicContact CG2-CG 4.13Å; I115-E118 PolarHBondContact O-N 3.31Å; I115-E118 VanDerWaalsContact O-N 3.17Å; Q116-E118 PolarHBondContact O-N 2.84Å; Q116-E118 VanDerWaalsContact O-N 3.12Å
119	R	97.1	Very high	97	Very high	21 Å²	21	50.3 Å²	50.3	8%	0.079	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-92.9	9.6	178.1	-52.6	-174.3	80.5	174.3	14.1	113.3	Y111 S113 Q116 S117 P121 L122 Y123 D233	Y111-R119 PolarHBondContact O-NH2 3.44Å; S113-R119 WeakPolarHBondContact O-CD 3.27Å; Q116-R119 WeakPolarHBondContact O-CB 3.46Å; Q116-R119 PolarHBondContact O-N 3.27Å; S117-R119 VanDerWaalsContact C-N 3.29Å; R119-P121 VanDerWaalsContact C-CD 3.41Å; R119-P121 VanDerWaalsContact C-N 3.35Å; R119-P121 VanDerWaalsContact O-N 3.16Å; R119-L122 WeakPolarHBondContact O-CB 3.4Å; R119-L122 PolarHBondContact O-N 2.74Å; R119-Y123 HydrophobicContact CB-CD2 4.44Å; R119-Y123 HydrophobicContact CB-CE1 4.15Å; R119-Y123 HydrophobicContact CB-CE2 3.75Å; R119-Y123 WeakPolarHBondContact O-CD2 3.32Å; R119-Y123 PolarHBondContact O-N 3.44Å; R119-D233 WeakPolarHBondContact CD-OD1 3.21Å; R119-D233 IonicContact CZ-OD1 3.57Å; R119-D233 IonicContact NE-OD1 2.82Å; R119-D233 IonicContact NH1-OD1 3.42Å; R119-D233 PolarHBondContact NH1-OD1 3.49Å
120	R	95.6	Very high	97.1	Very high	104 Å²	104	48.5 Å²	48.5	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-45.7	-45.7	-178	-178.7	-176.4	178.4	172.4	0.4	114.7	L122 Y123 L124 D221 G222 M223	R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 2.92Å; R120-Y123 PolarHBondContact O-N 3.36Å; R120-Y123 VanDerWaalsContact O-N 3.17Å; R120-L124 HydrophobicContact CG-CD1 4.18Å; R120-L124 HydrophobicContact CG-CG 4.47Å; R120-L124 PolarHBondContact O-N 3.24Å; R120-L124 VanDerWaalsContact O-N 3.12Å; R120-D221 PolarHBondContact NH2-O 3.36Å; R120-G222 PolarHBondContact NE-O 3.31Å; R120-M223 HydrophobicContact CB-SD 4.44Å; R120-M223 HydrophobicContact CG-SD 4.15Å
121	P	96.9	Very high	97.3	Very high	99 Å²	99	42.3 Å²	42.3	64%	0.643	23%	0.23	S	C	*	.	H	α-helix	trans	-59.4	-38.6	180	-25	35.9	0	0	0	113.4	R119 Y123 L124 S125	R119-P121 VanDerWaalsContact C-CD 3.41Å; R119-P121 VanDerWaalsContact C-N 3.35Å; R119-P121 VanDerWaalsContact O-N 3.16Å; P121-Y123 VanDerWaalsContact C-N 3.34Å; P121-Y123 PolarHBondContact O-N 3.19Å; P121-L124 PolarHBondContact O-N 3.43Å; P121-S125 PolarHBondContact O-N 3.04Å
122	L	97.7	Very high	97.3	Very high	44 Å²	44	45.4 Å²	45.4	23%	0.23	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-40.3	177.3	177.1	62.9	0	0	0	111.3	R119 R120 S125 I126 I232	R119-L122 WeakPolarHBondContact O-CB 3.4Å; R119-L122 PolarHBondContact O-N 2.74Å; R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 2.92Å; L122-S125 PolarHBondContact O-N 3.31Å; L122-S125 PolarHBondContact O-OG 3.41Å; L122-I126 HydrophobicContact CD1-CG1 4.3Å; L122-I126 WeakPolarHBondContact O-CG1 3.25Å; L122-I126 PolarHBondContact O-N 2.96Å; L122-I126 VanDerWaalsContact O-N 3.14Å; L122-I232 HydrophobicContact CD2-CG2 3.75Å; L122-I232 HydrophobicContact CG-CG2 3.84Å
123	Y	97.9	Very high	97.4	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-67.9	-40.1	179.7	-53.6	-40.8	0	0	0	112.5	Q116 R119 R120 P121 A127 P224 A229 I232 D233	Q116-Y123 HydrophobicContact CB-CE2 4.48Å; Q116-Y123 WeakPolarHBondContact O-CE2 3.31Å; R119-Y123 HydrophobicContact CB-CD2 4.44Å; R119-Y123 HydrophobicContact CB-CE1 4.15Å; R119-Y123 HydrophobicContact CB-CE2 3.75Å; R119-Y123 WeakPolarHBondContact O-CD2 3.32Å; R119-Y123 PolarHBondContact O-N 3.44Å; R120-Y123 PolarHBondContact O-N 3.36Å; R120-Y123 VanDerWaalsContact O-N 3.17Å; P121-Y123 VanDerWaalsContact C-N 3.34Å; P121-Y123 PolarHBondContact O-N 3.19Å; Y123-A127 VanDerWaalsContact O-CB 3.26Å; Y123-A127 WeakPolarHBondContact O-CB 3.25Å; Y123-A127 PolarHBondContact O-N 3.19Å; Y123-P224 HydrophobicContact CD2-CB 4.21Å; Y123-P224 HydrophobicContact CD2-CG 3.32Å; Y123-P224 HydrophobicContact CE2-CG 3.72Å; Y123-P224 HydrophobicContact CG-CB 4.21Å; Y123-P224 HydrophobicContact CG-CG 3.8Å; Y123-A229 HydrophobicContact CE1-CB 4.31Å; Y123-A229 HydrophobicContact CE2-CB 4.4Å; Y123-I232 HydrophobicContact CD1-CB 4.11Å; Y123-I232 HydrophobicContact CD1-CD1 3.74Å; Y123-I232 HydrophobicContact CD1-CG2 3.88Å; Y123-I232 HydrophobicContact CE1-CB 4.13Å; Y123-I232 HydrophobicContact CE1-CG2 3.94Å; Y123-D233 WeakPolarHBondContact CE1-OD1 3.47Å; Y123-D233 PolarHBondContact OH-OD1 3.02Å; Y123-D233 PolarHBondContact OH-OD2 2.75Å
124	L	97.4	Very high	97.3	Very high	64 Å²	64	47.6 Å²	47.6	34%	0.335	25%	0.253	S	S	.	.	H	α-helix	trans	-67.5	-39.2	177.4	-69.9	177.9	0	0	0	111.9	R120 P121 A127 Q128 V218 G222	R120-L124 HydrophobicContact CG-CD1 4.18Å; R120-L124 HydrophobicContact CG-CG 4.47Å; R120-L124 PolarHBondContact O-N 3.24Å; R120-L124 VanDerWaalsContact O-N 3.12Å; P121-L124 PolarHBondContact O-N 3.43Å; L124-A127 PolarHBondContact O-N 3.17Å; L124-Q128 WeakPolarHBondContact O-CB 3.49Å; L124-Q128 PolarHBondContact O-N 3.34Å; L124-V218 HydrophobicContact CD2-CG1 4.02Å; L124-G222 WeakPolarHBondContact CD2-O 3.45Å
125	S	98.2	Very high	97.3	Very high	66 Å²	66	51.3 Å²	51.3	46%	0.462	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-43.2	177.3	68.2	0	0	0	0	112.1	P121 L122 Q128 K129	P121-S125 PolarHBondContact O-N 3.04Å; L122-S125 PolarHBondContact O-N 3.31Å; L122-S125 PolarHBondContact O-OG 3.41Å; S125-Q128 PolarHBondContact O-N 3.47Å; S125-K129 PolarHBondContact O-N 2.69Å
126	I	98.4	Very high	97.3	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.092	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-37.7	176.3	-62.3	-64.6	0	0	0	111.5	L122 Q128 K129 L130 I232 L262 W264	L122-I126 HydrophobicContact CD1-CG1 4.3Å; L122-I126 WeakPolarHBondContact O-CG1 3.25Å; L122-I126 PolarHBondContact O-N 2.96Å; L122-I126 VanDerWaalsContact O-N 3.14Å; I126-Q128 VanDerWaalsContact C-N 3.3Å; I126-Q128 PolarHBondContact O-N 3.49Å; I126-K129 WeakPolarHBondContact O-CB 3.26Å; I126-K129 PolarHBondContact O-N 3.04Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 2.78Å; I126-I232 HydrophobicContact CB-CD1 3.61Å; I126-I232 HydrophobicContact CB-CG1 4.28Å; I126-I232 HydrophobicContact CG1-CD1 4.05Å; I126-I232 HydrophobicContact CG1-CG1 4.39Å; I126-I232 HydrophobicContact CG2-CD1 3.63Å; I126-I232 HydrophobicContact CG2-CG1 3.93Å; I126-L262 HydrophobicContact CG2-CD1 3.99Å; I126-L262 HydrophobicContact CG2-CD2 3.68Å; I126-W264 HydrophobicContact CD1-CH2 3.99Å; I126-W264 HydrophobicContact CD1-CZ2 4.08Å; I126-W264 HydrophobicContact CG1-CH2 4.4Å; I126-W264 HydrophobicContact CG2-CH2 4.34Å
127	A	98.3	Very high	97.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-38.1	173.9	0	0	0	0	0	111.9	Y123 L124 L130 I131 I185 V218 L228	Y123-A127 VanDerWaalsContact O-CB 3.26Å; Y123-A127 WeakPolarHBondContact O-CB 3.25Å; Y123-A127 PolarHBondContact O-N 3.19Å; L124-A127 PolarHBondContact O-N 3.17Å; A127-L130 PolarHBondContact O-N 2.75Å; A127-I131 WeakPolarHBondContact O-CG1 3.42Å; A127-I131 PolarHBondContact O-N 3.34Å; A127-I131 VanDerWaalsContact O-N 3.15Å; A127-I185 HydrophobicContact CB-CD1 3.89Å; A127-V218 HydrophobicContact CB-CG2 3.62Å; A127-L228 HydrophobicContact CB-CD2 4.15Å
128	Q	98	Very high	97.5	Very high	64 Å²	64	52.4 Å²	52.4	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-65	-44.9	174	-172	56.4	52	0	0	111.2	L124 S125 I126 L130 I131 D132	L124-Q128 WeakPolarHBondContact O-CB 3.49Å; L124-Q128 PolarHBondContact O-N 3.34Å; S125-Q128 PolarHBondContact O-N 3.47Å; I126-Q128 VanDerWaalsContact C-N 3.3Å; I126-Q128 PolarHBondContact O-N 3.49Å; Q128-L130 VanDerWaalsContact C-N 3.3Å; Q128-L130 PolarHBondContact O-N 2.84Å; Q128-I131 WeakPolarHBondContact O-CA 3.46Å; Q128-I131 WeakPolarHBondContact O-CB 3.44Å; Q128-I131 PolarHBondContact O-N 3.2Å; Q128-D132 PolarHBondContact NE2-OD1 2.74Å; Q128-D132 VanDerWaalsContact O-CG 3.23Å; Q128-D132 PolarHBondContact O-N 3.13Å
129	K	98.3	Very high	97.5	Very high	75 Å²	75	46.8 Å²	46.8	33%	0.326	24%	0.243	S	C	.	.	H	α-helix	trans	-54.3	-45.1	173.6	-178.7	-177.7	176	-173.3	0	112.1	S125 I126 I131 D132 E133	S125-K129 PolarHBondContact O-N 2.69Å; I126-K129 WeakPolarHBondContact O-CB 3.26Å; I126-K129 PolarHBondContact O-N 3.04Å; K129-I131 VanDerWaalsContact C-N 3.28Å; K129-I131 PolarHBondContact O-N 3.33Å; K129-D132 PolarHBondContact O-N 3.17Å; K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 HydrophobicContact CG-CG 4.47Å; K129-E133 IonicContact NZ-OE1 3.83Å; K129-E133 WeakPolarHBondContact O-CB 3.42Å; K129-E133 WeakPolarHBondContact O-CG 3.43Å; K129-E133 PolarHBondContact O-N 3.08Å
130	L	98.4	Very high	97.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-33.5	176.1	-73.6	169.7	0	0	0	112.8	I126 A127 Q128 G134 F135 A136 I217 L228 L258 A261 L262	I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 2.78Å; A127-L130 PolarHBondContact O-N 2.75Å; Q128-L130 VanDerWaalsContact C-N 3.3Å; Q128-L130 PolarHBondContact O-N 2.84Å; L130-G134 PolarHBondContact O-N 3.42Å; L130-F135 HydrophobicContact CB-CB 4.43Å; L130-F135 HydrophobicContact CD2-CB 3.79Å; L130-F135 HydrophobicContact CD2-CD2 4.31Å; L130-F135 HydrophobicContact CD2-CG 4.4Å; L130-F135 CarbonylContact O-C 3.52Å; L130-F135 WeakPolarHBondContact O-CA 3.48Å; L130-F135 PolarHBondContact O-N 3.42Å; L130-A136 HydrophobicContact CB-CB 3.74Å; L130-A136 PolarHBondContact O-N 2.98Å; L130-I217 HydrophobicContact CD1-CD1 3.87Å; L130-L228 HydrophobicContact CD1-CD1 4.06Å; L130-L258 HydrophobicContact CD1-CD2 4.2Å; L130-A261 HydrophobicContact CD2-CB 3.86Å; L130-L262 HydrophobicContact CD1-CD2 4.38Å; L130-L262 HydrophobicContact CD2-CD2 3.63Å; L130-L262 HydrophobicContact CD2-CG 3.92Å; L130-L262 HydrophobicContact CG-CD2 3.83Å; L130-L262 HydrophobicContact CG-CG 4.45Å
131	I	97.6	Very high	97.6	Very high	28 Å²	28	42.7 Å²	42.7	14%	0.144	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-49.1	173.9	-68.4	167.9	0	0	0	110.1	A127 Q128 K129 E133 G134 A136 R138 I185	A127-I131 WeakPolarHBondContact O-CG1 3.42Å; A127-I131 PolarHBondContact O-N 3.34Å; A127-I131 VanDerWaalsContact O-N 3.15Å; Q128-I131 WeakPolarHBondContact O-CA 3.46Å; Q128-I131 WeakPolarHBondContact O-CB 3.44Å; Q128-I131 PolarHBondContact O-N 3.2Å; K129-I131 VanDerWaalsContact C-N 3.28Å; K129-I131 PolarHBondContact O-N 3.33Å; I131-E133 PolarHBondContact O-N 3.43Å; I131-G134 PolarHBondContact O-N 2.93Å; I131-A136 WeakPolarHBondContact CA-O 3.48Å; I131-A136 HydrophobicContact CG1-CB 3.97Å; I131-R138 HydrophobicContact CD1-CG 4.07Å; I131-I185 HydrophobicContact CD1-CD1 3.84Å; I131-I185 HydrophobicContact CD1-CG1 4.14Å; I131-I185 HydrophobicContact CD1-CG2 3.94Å; I131-I185 HydrophobicContact CG1-CG2 4.08Å
132	D	97.2	Very high	97.5	Very high	116 Å²	116	40.6 Å²	40.6	62%	0.62	22%	0.219	S	C	*	.	H	α-helix	trans	-62.5	-34.9	-176.6	-59.7	-21.9	0	0	0	111.6	Q128 K129 G134	Q128-D132 PolarHBondContact NE2-OD1 2.74Å; Q128-D132 VanDerWaalsContact O-CG 3.23Å; Q128-D132 PolarHBondContact O-N 3.13Å; K129-D132 PolarHBondContact O-N 3.17Å; D132-G134 VanDerWaalsContact C-N 3.3Å
133	E	96.8	Very high	97.3	Very high	92 Å²	92	42.3 Å²	42.3	43%	0.43	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-0	175.7	-66.8	176.7	176.8	0	0	113.5	K129 I131 F135	K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 HydrophobicContact CG-CG 4.47Å; K129-E133 IonicContact NZ-OE1 3.83Å; K129-E133 WeakPolarHBondContact O-CB 3.42Å; K129-E133 WeakPolarHBondContact O-CG 3.43Å; K129-E133 PolarHBondContact O-N 3.08Å; I131-E133 PolarHBondContact O-N 3.43Å; E133-F135 VanDerWaalsContact C-N 3.34Å; E133-F135 HydrophobicContact CB-CD2 3.64Å; E133-F135 HydrophobicContact CB-CE2 3.86Å; E133-F135 PolarHBondContact O-N 3.44Å
134	G	96.2	Very high	97.2	Very high	38 Å²	38	47.8 Å²	47.8	39%	0.392	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	11.4	175.2	0	0	0	0	0	115.7	L130 I131 D132 K188	L130-G134 PolarHBondContact O-N 3.42Å; I131-G134 PolarHBondContact O-N 2.93Å; D132-G134 VanDerWaalsContact C-N 3.3Å; G134-K188 WeakPolarHBondContact O-CD 3.38Å
135	F	97.1	Very high	97.2	Very high	81 Å²	81	47.5 Å²	47.5	36%	0.355	25%	0.254	S	S	.	.	S	Bend	trans	-87.6	-14.4	175.8	-64.9	-65.3	0	0	0	113.7	L130 E133 F187 K188 A261	L130-F135 HydrophobicContact CB-CB 4.43Å; L130-F135 HydrophobicContact CD2-CB 3.79Å; L130-F135 HydrophobicContact CD2-CD2 4.31Å; L130-F135 HydrophobicContact CD2-CG 4.4Å; L130-F135 CarbonylContact O-C 3.52Å; L130-F135 WeakPolarHBondContact O-CA 3.48Å; L130-F135 PolarHBondContact O-N 3.42Å; E133-F135 VanDerWaalsContact C-N 3.34Å; E133-F135 HydrophobicContact CB-CD2 3.64Å; E133-F135 HydrophobicContact CB-CE2 3.86Å; E133-F135 PolarHBondContact O-N 3.44Å; F135-F187 HydrophobicContact CB-CE2 4.26Å; F135-K188 VanDerWaalsContact O-CB 3.24Å; F135-K188 WeakPolarHBondContact O-CB 3.42Å; F135-K188 PolarHBondContact O-N 3.33Å; F135-A261 HydrophobicContact CB-CB 4Å; F135-A261 HydrophobicContact CD1-CB 3.78Å; F135-A261 HydrophobicContact CD2-CB 3.97Å; F135-A261 HydrophobicContact CE1-CB 4.22Å; F135-A261 HydrophobicContact CE2-CB 4.38Å; F135-A261 VanDerWaalsContact CE2-O 3.26Å; F135-A261 WeakPolarHBondContact CE2-O 3.46Å; F135-A261 HydrophobicContact CG-CB 3.65Å
136	A	98	Very high	97	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.1	176	0	0	0	0	0	111.3	L130 I131 I185 R186 I217	L130-A136 HydrophobicContact CB-CB 3.74Å; L130-A136 PolarHBondContact O-N 2.98Å; I131-A136 WeakPolarHBondContact CA-O 3.48Å; I131-A136 HydrophobicContact CG1-CB 3.97Å; A136-I185 HydrophobicContact CB-CG2 3.85Å; A136-R186 CarbonylContact C-O 3.55Å; A136-R186 WeakPolarHBondContact CA-O 3.34Å; A136-R186 VanDerWaalsContact CB-O 3.29Å; A136-R186 WeakPolarHBondContact CB-O 3.35Å; A136-I217 HydrophobicContact CB-CD1 3.86Å
137	Y	98	Very high	96.9	Very high	20 Å²	20	46.8 Å²	46.8	8%	0.078	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	157.5	177.6	62.8	-82.9	0	0	0	111.5	C139 Y162 C166 R167 I185 R186 K188 D214	Y137-C139 HydrophobicContact CE2-CB 4.26Å; Y137-Y162 HydrophobicContact CE2-CE1 4.12Å; Y137-Y162 VanDerWaalsContact OH-CD1 3.24Å; Y137-Y162 WeakPolarHBondContact OH-CD1 3.41Å; Y137-Y162 WeakPolarHBondContact OH-CE1 3.13Å; Y137-C166 HydrophobicContact CD2-CB 4.26Å; Y137-C166 WeakPolarHBondContact CD2-O 3.02Å; Y137-C166 HydrophobicContact CE2-CB 4.05Å; Y137-R167 HydrophobicContact CD1-CG 4.31Å; Y137-R167 HydrophobicContact CE1-CB 4.23Å; Y137-R167 HydrophobicContact CE1-CG 4.08Å; Y137-R167 HydrophobicContact CE2-CB 4.21Å; Y137-I185 WeakPolarHBondContact O-CA 3.49Å; Y137-R186 HydrophobicContact CE1-CB 3.95Å; Y137-R186 HydrophobicContact CE2-CB 4.19Å; Y137-R186 PolarHBondContact N-O 2.84Å; Y137-R186 PolarHBondContact O-N 3.09Å; Y137-R186 WeakPolarHBondContact OH-CD 3.31Å; Y137-K188 HydrophobicContact CD1-CB 4.42Å; Y137-K188 HydrophobicContact CE1-CB 4.47Å; Y137-D214 HydrophobicContact CE1-CB 4.26Å; Y137-D214 VanDerWaalsContact CE1-OD2 3.22Å; Y137-D214 WeakPolarHBondContact CE1-OD2 3.42Å; Y137-D214 VanDerWaalsContact OH-CB 3.22Å; Y137-D214 WeakPolarHBondContact OH-CB 3.26Å; Y137-D214 PolarHBondContact OH-OD2 3.34Å
138	R	97.8	Very high	96.8	Very high	45 Å²	45	51.9 Å²	51.9	17%	0.17	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.1	175.5	-61.1	-173.6	-178.7	89.3	1.4	110.2	I131 F140 Y183	I131-R138 HydrophobicContact CD1-CG 4.07Å; R138-F140 HydrophobicContact CB-CE2 3.92Å; R138-F140 HydrophobicContact CB-CZ 3.83Å; R138-Y183 HydrophobicContact CB-CD2 3.98Å; R138-Y183 HydrophobicContact CB-CG 4.43Å; R138-Y183 HydrophobicContact CG-CD2 3.8Å; R138-Y183 HydrophobicContact CG-CE2 3.92Å
139	C	98	Very high	96.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.8	179.9	167	0	0	0	0	110.1	Y137 Y162 C166 Y183 V184 R186	Y137-C139 HydrophobicContact CE2-CB 4.26Å; C139-Y162 PolarHBondContact SG-OH 2.98Å; C139-C166 HydrophobicContact CB-CB 4.11Å; C139-Y183 WeakPolarHBondContact O-CA 3.45Å; C139-V184 HydrophobicContact CB-CG2 3.83Å; C139-V184 PolarHBondContact N-O 3.33Å; C139-V184 PolarHBondContact O-N 3.11Å; C139-R186 HydrophobicContact CB-CG 4.04Å; C139-R186 PolarHBondContact SG-NE 3.12Å
140	F	97.5	Very high	96.5	Very high	19 Å²	19	53.4 Å²	53.4	8%	0.083	28%	0.281	C	S	.	.			trans	-100.1	12.3	-177.3	-52.5	-87	0	0	0	113	R138 S142 L169 I174 N177 L178 L181 Y183	R138-F140 HydrophobicContact CB-CE2 3.92Å; R138-F140 HydrophobicContact CB-CZ 3.83Å; F140-S142 PolarHBondContact O-N 2.95Å; F140-L169 HydrophobicContact CD2-CD1 3.72Å; F140-L169 HydrophobicContact CE2-CD1 3.94Å; F140-I174 HydrophobicContact CZ-CG2 4.35Å; F140-N177 HydrophobicContact CB-CB 4.35Å; F140-N177 HydrophobicContact CD1-CB 3.57Å; F140-N177 HydrophobicContact CD2-CB 3.78Å; F140-N177 HydrophobicContact CE1-CB 3.66Å; F140-N177 HydrophobicContact CE2-CB 3.89Å; F140-N177 HydrophobicContact CG-CB 3.63Å; F140-N177 HydrophobicContact CZ-CB 3.82Å; F140-L178 HydrophobicContact CE1-CD2 3.99Å; F140-L178 HydrophobicContact CE1-CG 4.07Å; F140-L178 HydrophobicContact CZ-CD2 4.17Å; F140-L178 HydrophobicContact CZ-CG 3.96Å; F140-L181 HydrophobicContact CB-CB 4.41Å; F140-L181 HydrophobicContact CB-CD1 4.06Å; F140-L181 HydrophobicContact CD1-CB 4.06Å; F140-Y183 HydrophobicContact CE1-CD1 4.18Å; F140-Y183 HydrophobicContact CE1-CG 4.09Å
141	C	96.3	Very high	96.3	Very high	20 Å²	20	60.7 Å²	60.7	14%	0.135	31%	0.313	C	S	.	.			trans	-66.9	125.6	179	-71	0	0	0	0	111.4	R145 L146 Y162	C141-R145 PolarHBondContact SG-NH1 3.18Å; C141-L146 HydrophobicContact CB-CD2 4.17Å; C141-L146 HydrophobicContact CB-CG 4.23Å; C141-Y162 HydrophobicContact CB-CE2 4.29Å; C141-Y162 PolarHBondContact SG-OH 2.9Å
142	S	94.7	Very high	96.3	Very high	55 Å²	55	62.9 Å²	62.9	39%	0.385	32%	0.322	S	S	.	.			trans	-66.5	157.9	176.4	90.2	0	0	0	0	112.5	F140 E144 R145 L146	F140-S142 PolarHBondContact O-N 2.95Å; S142-E144 VanDerWaalsContact C-N 3.27Å; S142-E144 WeakPolarHBondContact CB-OE2 3.43Å; S142-E144 PolarHBondContact O-N 3.1Å; S142-E144 PolarHBondContact OG-N 3.06Å; S142-E144 PolarHBondContact OG-OE2 2.95Å; S142-R145 PolarHBondContact O-N 3.24Å; S142-R145 PolarHBondContact OG-N 3.01Å; S142-L146 WeakPolarHBondContact O-CG 2.95Å; S142-L146 PolarHBondContact O-N 2.82Å; S142-L146 VanDerWaalsContact O-N 3.15Å
143	S	93.8	Very high	96.1	Very high	81 Å²	81	57.9 Å²	57.9	57%	0.566	30%	0.295	S	S	*	.	H	α-helix	trans	-58.4	-38.3	175.3	30.6	0	0	0	0	112.7	L146 A147	S143-L146 PolarHBondContact O-N 2.61Å; S143-A147 WeakPolarHBondContact O-CB 2.95Å; S143-A147 PolarHBondContact O-N 3Å
144	E	96.3	Very high	95.9	Very high	116 Å²	116	57.6 Å²	57.6	54%	0.542	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-45.1	-178.3	-56.7	65.3	-128.9	0	0	109.8	S142 L146 A147 I148	S142-E144 VanDerWaalsContact C-N 3.27Å; S142-E144 WeakPolarHBondContact CB-OE2 3.43Å; S142-E144 PolarHBondContact O-N 3.1Å; S142-E144 PolarHBondContact OG-N 3.06Å; S142-E144 PolarHBondContact OG-OE2 2.95Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 3.07Å; E144-A147 WeakPolarHBondContact O-CB 3.32Å; E144-A147 PolarHBondContact O-N 3.19Å; E144-I148 WeakPolarHBondContact O-CG1 3.46Å; E144-I148 PolarHBondContact O-N 3.35Å
145	R	96	Very high	95.9	Very high	57 Å²	57	65.3 Å²	65.3	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-59.2	-47.3	174.5	-177.6	-167.5	179.7	-91.4	-12.6	111.2	C141 S142 A147 I148 L149 D163	C141-R145 PolarHBondContact SG-NH1 3.18Å; S142-R145 PolarHBondContact O-N 3.24Å; S142-R145 PolarHBondContact OG-N 3.01Å; R145-A147 VanDerWaalsContact C-N 3.27Å; R145-A147 PolarHBondContact O-N 3.19Å; R145-I148 PolarHBondContact O-N 2.88Å; R145-L149 PolarHBondContact O-N 3.01Å; R145-D163 IonicContact CZ-OD1 3.11Å; R145-D163 IonicContact CZ-OD2 2.71Å; R145-D163 IonicContact NH1-OD1 3.36Å; R145-D163 PolarHBondContact NH1-OD1 2.75Å; R145-D163 IonicContact NH1-OD2 2.53Å; R145-D163 IonicContact NH2-OD1 3.85Å; R145-D163 PolarHBondContact NH2-OD1 3.01Å; R145-D163 IonicContact NH2-OD2 3.71Å; R145-D163 PolarHBondContact NH2-OD2 3.39Å
146	L	95	Very high	95.8	Very high	27 Å²	27	69.1 Å²	69.1	14%	0.141	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-33	-179.3	-66.4	174.8	0	0	0	111.6	C141 S142 S143 E144 L149 R150 Y162	C141-L146 HydrophobicContact CB-CD2 4.17Å; C141-L146 HydrophobicContact CB-CG 4.23Å; S142-L146 WeakPolarHBondContact O-CG 2.95Å; S142-L146 PolarHBondContact O-N 2.82Å; S142-L146 VanDerWaalsContact O-N 3.15Å; S143-L146 PolarHBondContact O-N 2.61Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 3.07Å; L146-L149 PolarHBondContact O-N 2.96Å; L146-R150 WeakPolarHBondContact O-CG 3.33Å; L146-R150 PolarHBondContact O-N 3.49Å; L146-Y162 HydrophobicContact CD2-CD2 3.77Å; L146-Y162 HydrophobicContact CD2-CE2 3.91Å
147	A	95.9	Very high	95.4	Very high	42 Å²	42	80.2 Å²	80.2	35%	0.347	37%	0.367	S	S	.	.	H	α-helix	trans	-66.4	-41.3	173.2	0	0	0	0	0	112.1	S143 E144 R145 R150 K151	S143-A147 WeakPolarHBondContact O-CB 2.95Å; S143-A147 PolarHBondContact O-N 3Å; E144-A147 WeakPolarHBondContact O-CB 3.32Å; E144-A147 PolarHBondContact O-N 3.19Å; R145-A147 VanDerWaalsContact C-N 3.27Å; R145-A147 PolarHBondContact O-N 3.19Å; A147-R150 PolarHBondContact O-N 3.39Å; A147-K151 WeakPolarHBondContact O-CG 3.48Å; A147-K151 PolarHBondContact O-N 3.4Å; A147-K151 VanDerWaalsContact O-N 3.08Å
148	I	96.8	Very high	95	Very high	108 Å²	108	82.7 Å²	82.7	55%	0.554	38%	0.379	S	S	*	.	H	α-helix	trans	-62.3	-47.5	174	-66	165	0	0	0	110.4	E144 R145 R150 K151 E152	E144-I148 WeakPolarHBondContact O-CG1 3.46Å; E144-I148 PolarHBondContact O-N 3.35Å; R145-I148 PolarHBondContact O-N 2.88Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.17Å; I148-K151 PolarHBondContact O-N 3.3Å; I148-K151 VanDerWaalsContact O-N 3.12Å; I148-E152 PolarHBondContact O-N 3Å
149	L	94.8	Very high	94.4	Very high	33 Å²	33	83.8 Å²	83.8	17%	0.173	39%	0.392	C	S	.	.	H	α-helix	trans	-56.3	-46.2	177.8	178.3	63.7	0	0	0	111.8	R145 L146 K151 E152 Q153 D163	R145-L149 PolarHBondContact O-N 3.01Å; L146-L149 PolarHBondContact O-N 2.96Å; L149-K151 PolarHBondContact O-N 3.35Å; L149-E152 PolarHBondContact O-N 3.25Å; L149-Q153 HydrophobicContact CD1-CG 4.38Å; L149-Q153 WeakPolarHBondContact O-CG 3.48Å; L149-Q153 PolarHBondContact O-N 3.08Å; L149-D163 HydrophobicContact CD1-CB 4.16Å; L149-D163 HydrophobicContact CD2-CB 3.9Å
150	R	93.9	Very high	93.9	Very high	137 Å²	137	88.6 Å²	88.6	52%	0.517	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-41	176.7	-73.1	174.4	-171.2	161	1.2	112.4	L146 A147 I148 Q153 N154	L146-R150 WeakPolarHBondContact O-CG 3.33Å; L146-R150 PolarHBondContact O-N 3.49Å; A147-R150 PolarHBondContact O-N 3.39Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.17Å; R150-Q153 PolarHBondContact O-N 2.76Å; R150-N154 WeakPolarHBondContact O-CB 3.29Å; R150-N154 PolarHBondContact O-N 3.24Å; R150-N154 PolarHBondContact O-ND2 2.84Å
151	K	95.7	Very high	93.6	Very high	154 Å²	154	92.6 Å²	92.6	67%	0.67	43%	0.429	S	S	*	.	H	α-helix	trans	-63	-43.9	177	-75.2	179.4	-179.6	-177.9	0	111.6	A147 I148 L149 N154 R155	A147-K151 WeakPolarHBondContact O-CG 3.48Å; A147-K151 PolarHBondContact O-N 3.4Å; A147-K151 VanDerWaalsContact O-N 3.08Å; I148-K151 PolarHBondContact O-N 3.3Å; I148-K151 VanDerWaalsContact O-N 3.12Å; L149-K151 PolarHBondContact O-N 3.35Å; K151-N154 PolarHBondContact O-N 3.4Å; K151-R155 WeakPolarHBondContact O-CB 3.48Å; K151-R155 PolarHBondContact O-N 3.25Å
152	E	95.9	Very high	93.4	Very high	73 Å²	73	92.2 Å²	92.2	34%	0.341	43%	0.425	S	S	.	.	H	α-helix	trans	-64.7	-44.2	177	-73.6	-60.4	129.5	0	0	112.2	I148 L149 R155 R156	I148-E152 PolarHBondContact O-N 3Å; L149-E152 PolarHBondContact O-N 3.25Å; E152-R155 WeakPolarHBondContact O-CB 3.46Å; E152-R155 PolarHBondContact O-N 3.31Å; E152-R156 WeakPolarHBondContact O-CG 3.47Å; E152-R156 PolarHBondContact O-N 2.95Å; E152-R156 VanDerWaalsContact O-N 3.08Å; E152-R156 IonicContact OE2-NH2 3.42Å
153	Q	93.6	Very high	93.3	Very high	12 Å²	12	92.8 Å²	92.8	6%	0.056	42%	0.423	C	S	.	.	H	α-helix	trans	-60.9	-45.2	175.3	-75.4	173.9	-28.5	0	0	111.9	L149 R150 R155 R156 R157 E158 R161	L149-Q153 HydrophobicContact CD1-CG 4.38Å; L149-Q153 WeakPolarHBondContact O-CG 3.48Å; L149-Q153 PolarHBondContact O-N 3.08Å; R150-Q153 PolarHBondContact O-N 2.76Å; Q153-R155 VanDerWaalsContact C-N 3.34Å; Q153-R155 PolarHBondContact O-N 2.64Å; Q153-R156 CarbonylContact O-C 3.52Å; Q153-R156 PolarHBondContact O-N 3.36Å; Q153-R156 VanDerWaalsContact O-N 3.12Å; Q153-R157 PolarHBondContact O-N 3.4Å; Q153-E158 HydrophobicContact CB-CB 4.39Å; Q153-E158 PolarHBondContact O-N 3.27Å; Q153-R161 PolarHBondContact NE2-O 2.78Å; Q153-R161 VanDerWaalsContact OE1-N 3.15Å; Q153-R161 PolarHBondContact OE1-O 3.44Å
154	N	93.9	Very high	93.3	Very high	86 Å²	86	91 Å²	91	46%	0.46	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-41.9	176.2	-74.2	-21.9	0	0	0	112.1	R150 K151 R156 R157 Q160	R150-N154 WeakPolarHBondContact O-CB 3.29Å; R150-N154 PolarHBondContact O-N 3.24Å; R150-N154 PolarHBondContact O-ND2 2.84Å; K151-N154 PolarHBondContact O-N 3.4Å; N154-R156 PolarHBondContact O-N 2.88Å; N154-R157 PolarHBondContact O-N 2.7Å; N154-Q160 PolarHBondContact ND2-NE2 2.96Å; N154-Q160 PolarHBondContact OD1-NE2 3.03Å
155	R	95.2	Very high	93.1	Very high	200 Å²	200	93 Å²	93	76%	0.755	41%	0.41	S	S	*	.	H	α-helix	trans	-60.5	-35.4	176.1	-177.5	-178.5	170.9	-179.4	-0.3	111.9	K151 E152 Q153 R157	K151-R155 WeakPolarHBondContact O-CB 3.48Å; K151-R155 PolarHBondContact O-N 3.25Å; E152-R155 WeakPolarHBondContact O-CB 3.46Å; E152-R155 PolarHBondContact O-N 3.31Å; Q153-R155 VanDerWaalsContact C-N 3.34Å; Q153-R155 PolarHBondContact O-N 2.64Å; R155-R157 VanDerWaalsContact C-N 3.31Å
156	R	94.4	Very high	93.2	Very high	160 Å²	160	90.8 Å²	90.8	60%	0.604	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-2.3	176.3	-63.1	174	-167.5	-166.9	0.7	113.8	E152 Q153 N154 E158	E152-R156 WeakPolarHBondContact O-CG 3.47Å; E152-R156 PolarHBondContact O-N 2.95Å; E152-R156 VanDerWaalsContact O-N 3.08Å; E152-R156 IonicContact OE2-NH2 3.42Å; Q153-R156 CarbonylContact O-C 3.52Å; Q153-R156 PolarHBondContact O-N 3.36Å; Q153-R156 VanDerWaalsContact O-N 3.12Å; N154-R156 PolarHBondContact O-N 2.88Å; R156-E158 HydrophobicContact CB-CB 4.49Å; R156-E158 HydrophobicContact CB-CG 3.83Å; R156-E158 WeakPolarHBondContact CD-OE1 3.3Å; R156-E158 PolarHBondContact O-N 3.11Å
157	R	90.8	Very high	93.2	Very high	238 Å²	238	92.3 Å²	92.3	90%	0.898	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	32.4	-172	-55.5	-179.1	178.9	-176.6	-0.4	112.7	Q153 N154 R155	Q153-R157 PolarHBondContact O-N 3.4Å; N154-R157 PolarHBondContact O-N 2.7Å; R155-R157 VanDerWaalsContact C-N 3.31Å
158	E	88.4	Confident	93.1	Very high	72 Å²	72	96.9 Å²	96.9	34%	0.336	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-88.8	148.5	175.5	-70.2	173.9	-163.5	0	0	110.5	Q153 R156 Q160	Q153-E158 HydrophobicContact CB-CB 4.39Å; Q153-E158 PolarHBondContact O-N 3.27Å; R156-E158 HydrophobicContact CB-CB 4.49Å; R156-E158 HydrophobicContact CB-CG 3.83Å; R156-E158 WeakPolarHBondContact CD-OE1 3.3Å; R156-E158 PolarHBondContact O-N 3.11Å; E158-Q160 PolarHBondContact O-N 3.11Å
159	P	85.9	Confident	93	Very high	69 Å²	69	93.6 Å²	93.6	45%	0.448	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-55	135.4	169.6	-24.1	33.4	0	0	0	111.5	R161	P159-R161 PolarHBondContact O-N 3.23Å
160	Q	88.4	Confident	93	Very high	102 Å²	102	94.6 Å²	94.6	48%	0.477	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-69.9	116.1	178.5	-67.9	179.9	13.9	0	0	110	N154 E158	N154-Q160 PolarHBondContact ND2-NE2 2.96Å; N154-Q160 PolarHBondContact OD1-NE2 3.03Å; E158-Q160 PolarHBondContact O-N 3.11Å
161	R	89.4	Confident	93	Very high	102 Å²	102	93.9 Å²	93.9	39%	0.385	42%	0.421	S	S	.	.			trans	-147.3	154.3	178.8	62.3	179.1	-179.9	-106.1	-3.8	111.8	Q153 P159	Q153-R161 PolarHBondContact NE2-O 2.78Å; Q153-R161 VanDerWaalsContact OE1-N 3.15Å; Q153-R161 PolarHBondContact OE1-O 3.44Å; P159-R161 PolarHBondContact O-N 3.23Å
162	Y	92.7	Very high	93	Very high	12 Å²	12	95.2 Å²	95.2	5%	0.047	42%	0.422	C	S	.	.			trans	-63.6	139.8	168.2	-174.4	-119.6	0	0	0	109.9	Y137 C139 C141 L146 N164 C166 D214	Y137-Y162 HydrophobicContact CE2-CE1 4.12Å; Y137-Y162 VanDerWaalsContact OH-CD1 3.24Å; Y137-Y162 WeakPolarHBondContact OH-CD1 3.41Å; Y137-Y162 WeakPolarHBondContact OH-CE1 3.13Å; C139-Y162 PolarHBondContact SG-OH 2.98Å; C141-Y162 HydrophobicContact CB-CE2 4.29Å; C141-Y162 PolarHBondContact SG-OH 2.9Å; L146-Y162 HydrophobicContact CD2-CD2 3.77Å; L146-Y162 HydrophobicContact CD2-CE2 3.91Å; Y162-N164 VanDerWaalsContact CD1-CA 3.5Å; Y162-N164 PolarHBondContact O-N 3.29Å; Y162-N164 PolarHBondContact O-OD1 2.76Å; Y162-C166 WeakPolarHBondContact OH-CB 2.77Å; Y162-C166 PolarHBondContact OH-N 3.23Å; Y162-C166 PolarHBondContact OH-SG 3.08Å; Y162-C166 VanDerWaalsContact OH-SG 3.34Å; Y162-D214 HydrophobicContact CD1-CB 4.18Å
163	D	91.8	Very high	92.9	Very high	67 Å²	67	95.7 Å²	95.7	36%	0.358	42%	0.424	S	S	.	.			trans	-87.4	11.7	-177.1	66.1	-29.3	0	0	0	113.3	R145 L149 R165	R145-D163 IonicContact CZ-OD1 3.11Å; R145-D163 IonicContact CZ-OD2 2.71Å; R145-D163 IonicContact NH1-OD1 3.36Å; R145-D163 PolarHBondContact NH1-OD1 2.75Å; R145-D163 IonicContact NH1-OD2 2.53Å; R145-D163 IonicContact NH2-OD1 3.85Å; R145-D163 PolarHBondContact NH2-OD1 3.01Å; R145-D163 IonicContact NH2-OD2 3.71Å; R145-D163 PolarHBondContact NH2-OD2 3.39Å; L149-D163 HydrophobicContact CD1-CB 4.16Å; L149-D163 HydrophobicContact CD2-CB 3.9Å; D163-R165 PolarHBondContact O-N 2.96Å; D163-R165 VanDerWaalsContact O-N 3.11Å
164	N	93.9	Very high	93	Very high	44 Å²	44	96.6 Å²	96.6	24%	0.235	43%	0.429	C	S	.	.			trans	60.7	19.3	175.6	-56.3	-19.2	0	0	0	114.5	Y162 C166 R167 D214	Y162-N164 VanDerWaalsContact CD1-CA 3.5Å; Y162-N164 PolarHBondContact O-N 3.29Å; Y162-N164 PolarHBondContact O-OD1 2.76Å; N164-C166 VanDerWaalsContact C-N 3.31Å; N164-C166 PolarHBondContact O-N 2.89Å; N164-R167 HydrophobicContact CB-CB 4.13Å; N164-R167 WeakPolarHBondContact O-CB 3.06Å; N164-R167 PolarHBondContact O-N 3.07Å; N164-D214 VanDerWaalsContact OD1-CG 3.31Å; N164-D214 PolarHBondContact OD1-OD2 3.27Å
165	R	93.9	Very high	93.1	Very high	159 Å²	159	96.5 Å²	96.5	60%	0.6	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-50.2	-46.2	-177.1	176.6	176.7	178.2	-167.7	6.6	113.6	D163 R167	D163-R165 PolarHBondContact O-N 2.96Å; D163-R165 VanDerWaalsContact O-N 3.11Å; R165-R167 VanDerWaalsContact C-N 3.3Å; R165-R167 PolarHBondContact O-N 3.42Å
166	C	96.4	Very high	93.1	Very high	9 Å²	9	91.9 Å²	91.9	6%	0.061	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-85.8	2.3	-176.5	-63.4	0	0	0	0	113.7	Y137 C139 Y162 N164 N168 L169	Y137-C166 HydrophobicContact CD2-CB 4.26Å; Y137-C166 WeakPolarHBondContact CD2-O 3.02Å; Y137-C166 HydrophobicContact CE2-CB 4.05Å; C139-C166 HydrophobicContact CB-CB 4.11Å; Y162-C166 WeakPolarHBondContact OH-CB 2.77Å; Y162-C166 PolarHBondContact OH-N 3.23Å; Y162-C166 PolarHBondContact OH-SG 3.08Å; Y162-C166 VanDerWaalsContact OH-SG 3.34Å; N164-C166 VanDerWaalsContact C-N 3.31Å; N164-C166 PolarHBondContact O-N 2.89Å; C166-N168 VanDerWaalsContact C-N 3.28Å; C166-N168 PolarHBondContact O-N 2.94Å; C166-L169 HydrophobicContact CB-CD1 3.86Å; C166-L169 HydrophobicContact CB-CG 4.31Å
167	R	94.9	Very high	93.1	Very high	60 Å²	60	86.2 Å²	86.2	23%	0.226	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-65.6	-30.7	-172.6	-173.2	-175.8	-105.2	-149	-7.1	112.9	Y137 N164 R165 K188 T189 D214	Y137-R167 HydrophobicContact CD1-CG 4.31Å; Y137-R167 HydrophobicContact CE1-CB 4.23Å; Y137-R167 HydrophobicContact CE1-CG 4.08Å; Y137-R167 HydrophobicContact CE2-CB 4.21Å; N164-R167 HydrophobicContact CB-CB 4.13Å; N164-R167 WeakPolarHBondContact O-CB 3.06Å; N164-R167 PolarHBondContact O-N 3.07Å; R165-R167 VanDerWaalsContact C-N 3.3Å; R165-R167 PolarHBondContact O-N 3.42Å; R167-K188 VanDerWaalsContact CZ-CG 3.41Å; R167-K188 VanDerWaalsContact NH2-CG 3.25Å; R167-T189 PolarHBondContact NH2-O 3.13Å; R167-D214 IonicContact CZ-OD1 2.9Å; R167-D214 IonicContact CZ-OD2 3.98Å; R167-D214 IonicContact NE-OD2 3.92Å; R167-D214 PolarHBondContact NE-OD2 3.05Å; R167-D214 IonicContact NH2-OD1 2.77Å; R167-D214 PolarHBondContact NH2-OD1 3.24Å; R167-D214 IonicContact NH2-OD2 3.39Å; R167-D214 PolarHBondContact NH2-OD2 3.33Å
168	N	94.2	Very high	93.3	Very high	138 Å²	138	78 Å²	78	74%	0.738	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-121.9	28.5	-171.8	-56.6	-29.6	0	0	0	112.7	C166	C166-N168 VanDerWaalsContact C-N 3.28Å; C166-N168 PolarHBondContact O-N 2.94Å
169	L	95.4	Very high	93.5	Very high	38 Å²	38	78.8 Å²	78.8	20%	0.199	39%	0.39	C	S	.	.			trans	-62.5	138.4	174.5	-64.9	175.7	0	0	0	109.9	F140 C166 E173 I174	F140-L169 HydrophobicContact CD2-CD1 3.72Å; F140-L169 HydrophobicContact CE2-CD1 3.94Å; C166-L169 HydrophobicContact CB-CD1 3.86Å; C166-L169 HydrophobicContact CB-CG 4.31Å; L169-E173 HydrophobicContact CB-CB 4.24Å; L169-E173 HydrophobicContact CD2-CB 4.3Å; L169-I174 HydrophobicContact CB-CD1 4.36Å; L169-I174 HydrophobicContact CB-CG1 3.83Å
170	S	94.9	Very high	93.8	Very high	54 Å²	54	79.8 Å²	79.8	38%	0.378	40%	0.398	S	S	.	.			trans	-67	158	170.8	64.6	0	0	0	0	111.1	R172 E173 I174	S170-R172 PolarHBondContact O-N 3.19Å; S170-E173 WeakPolarHBondContact CB-OE2 3.47Å; S170-E173 PolarHBondContact N-OE2 3.22Å; S170-E173 PolarHBondContact O-N 3.38Å; S170-E173 VanDerWaalsContact O-N 3.09Å; S170-E173 VanDerWaalsContact OG-CG 3.31Å; S170-E173 WeakPolarHBondContact OG-CG 3.26Å; S170-E173 PolarHBondContact OG-N 3.33Å; S170-E173 PolarHBondContact OG-OE2 3.47Å; S170-I174 WeakPolarHBondContact O-CG1 3.36Å; S170-I174 PolarHBondContact O-N 2.82Å
171	Q	93.1	Very high	94	Very high	122 Å²	122	78.4 Å²	78.4	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-55.7	-39.9	177.7	-172.9	59.1	44.8	0	0	111.9	I174 D175	Q171-I174 WeakPolarHBondContact O-CB 3.15Å; Q171-I174 PolarHBondContact O-N 3.3Å; Q171-D175 PolarHBondContact NE2-OD1 3.42Å; Q171-D175 PolarHBondContact O-N 2.83Å
172	R	95.4	Very high	94.3	Very high	183 Å²	183	78.2 Å²	78.2	69%	0.691	41%	0.406	S	S	*	.	H	α-helix	trans	-58.8	-48.9	175.3	179.8	179	172.9	167	0.9	112.3	S170 I174 D175 E176	S170-R172 PolarHBondContact O-N 3.19Å; R172-I174 VanDerWaalsContact C-N 3.27Å; R172-I174 PolarHBondContact O-N 3.33Å; R172-D175 PolarHBondContact O-N 3.49Å; R172-E176 HydrophobicContact CG-CG 4.49Å; R172-E176 WeakPolarHBondContact CG-OE1 3.4Å; R172-E176 IonicContact CZ-OE1 2.65Å; R172-E176 IonicContact NE-OE1 3.05Å; R172-E176 PolarHBondContact NE-OE1 3.25Å; R172-E176 IonicContact NH2-OE1 3.53Å; R172-E176 PolarHBondContact NH2-OE1 2.99Å; R172-E176 WeakPolarHBondContact O-CB 3.1Å; R172-E176 WeakPolarHBondContact O-CG 3.39Å; R172-E176 PolarHBondContact O-N 3.17Å
173	E	95.6	Very high	94.5	Very high	83 Å²	83	81.7 Å²	81.7	39%	0.388	42%	0.419	S	S	.	.	H	α-helix	trans	-63.8	-35	177.2	-71.3	165.9	119.1	0	0	111.6	L169 S170 N177	L169-E173 HydrophobicContact CB-CB 4.24Å; L169-E173 HydrophobicContact CD2-CB 4.3Å; S170-E173 WeakPolarHBondContact CB-OE2 3.47Å; S170-E173 PolarHBondContact N-OE2 3.22Å; S170-E173 PolarHBondContact O-N 3.38Å; S170-E173 VanDerWaalsContact O-N 3.09Å; S170-E173 VanDerWaalsContact OG-CG 3.31Å; S170-E173 WeakPolarHBondContact OG-CG 3.26Å; S170-E173 PolarHBondContact OG-N 3.33Å; S170-E173 PolarHBondContact OG-OE2 3.47Å; E173-N177 VanDerWaalsContact O-CB 3.27Å; E173-N177 WeakPolarHBondContact O-CB 3.29Å; E173-N177 PolarHBondContact O-N 3.27Å; E173-N177 PolarHBondContact O-ND2 3.31Å
174	I	95.3	Very high	94.8	Very high	30 Å²	30	79.6 Å²	79.6	15%	0.154	41%	0.409	C	S	.	.	H	α-helix	trans	-64.1	-46.9	175.8	-67.5	167.6	0	0	0	110.1	F140 L169 S170 Q171 R172 N177 L178	F140-I174 HydrophobicContact CZ-CG2 4.35Å; L169-I174 HydrophobicContact CB-CD1 4.36Å; L169-I174 HydrophobicContact CB-CG1 3.83Å; S170-I174 WeakPolarHBondContact O-CG1 3.36Å; S170-I174 PolarHBondContact O-N 2.82Å; Q171-I174 WeakPolarHBondContact O-CB 3.15Å; Q171-I174 PolarHBondContact O-N 3.3Å; R172-I174 VanDerWaalsContact C-N 3.27Å; R172-I174 PolarHBondContact O-N 3.33Å; I174-N177 PolarHBondContact O-N 3.2Å; I174-L178 HydrophobicContact CG2-CD1 3.79Å; I174-L178 HydrophobicContact CG2-CG 4.27Å; I174-L178 WeakPolarHBondContact O-CB 3.37Å; I174-L178 VanDerWaalsContact O-CG 3.29Å; I174-L178 WeakPolarHBondContact O-CG 3.28Å; I174-L178 PolarHBondContact O-N 2.92Å
175	D	95.2	Very high	95	Very high	85 Å²	85	77.8 Å²	77.8	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-65.9	-44.1	-178.9	-62.5	-23.6	0	0	0	111.7	Q171 R172 N177 L178 A179	Q171-D175 PolarHBondContact NE2-OD1 3.42Å; Q171-D175 PolarHBondContact O-N 2.83Å; R172-D175 PolarHBondContact O-N 3.49Å; D175-N177 VanDerWaalsContact C-N 3.34Å; D175-N177 PolarHBondContact O-N 2.6Å; D175-L178 PolarHBondContact O-N 2.71Å; D175-A179 PolarHBondContact O-N 3.17Å
176	E	95.1	Very high	95.2	Very high	102 Å²	102	71.1 Å²	71.1	48%	0.477	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-42.6	175.3	-73.5	174.2	-174.7	0	0	111.6	R172 S180	R172-E176 HydrophobicContact CG-CG 4.49Å; R172-E176 WeakPolarHBondContact CG-OE1 3.4Å; R172-E176 IonicContact CZ-OE1 2.65Å; R172-E176 IonicContact NE-OE1 3.05Å; R172-E176 PolarHBondContact NE-OE1 3.25Å; R172-E176 IonicContact NH2-OE1 3.53Å; R172-E176 PolarHBondContact NH2-OE1 2.99Å; R172-E176 WeakPolarHBondContact O-CB 3.1Å; R172-E176 WeakPolarHBondContact O-CG 3.39Å; R172-E176 PolarHBondContact O-N 3.17Å; E176-S180 PolarHBondContact O-OG 3.27Å
177	N	95.4	Very high	95.3	Very high	41 Å²	41	71 Å²	71	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-72	-39.7	177.9	-72.9	-47.6	0	0	0	112.3	F140 E173 I174 D175 A179 S180 L181	F140-N177 HydrophobicContact CB-CB 4.35Å; F140-N177 HydrophobicContact CD1-CB 3.57Å; F140-N177 HydrophobicContact CD2-CB 3.78Å; F140-N177 HydrophobicContact CE1-CB 3.66Å; F140-N177 HydrophobicContact CE2-CB 3.89Å; F140-N177 HydrophobicContact CG-CB 3.63Å; F140-N177 HydrophobicContact CZ-CB 3.82Å; E173-N177 VanDerWaalsContact O-CB 3.27Å; E173-N177 WeakPolarHBondContact O-CB 3.29Å; E173-N177 PolarHBondContact O-N 3.27Å; E173-N177 PolarHBondContact O-ND2 3.31Å; I174-N177 PolarHBondContact O-N 3.2Å; D175-N177 VanDerWaalsContact C-N 3.34Å; D175-N177 PolarHBondContact O-N 2.6Å; N177-A179 PolarHBondContact O-N 2.95Å; N177-S180 PolarHBondContact O-N 3.35Å; N177-S180 VanDerWaalsContact O-N 3.14Å; N177-L181 HydrophobicContact CB-CD1 4.27Å; N177-L181 WeakPolarHBondContact O-CB 3.33Å; N177-L181 PolarHBondContact O-N 3.42Å; N177-L181 VanDerWaalsContact OD1-CD1 3.31Å; N177-L181 WeakPolarHBondContact OD1-CD1 3.47Å
178	L	94.3	Very high	95.3	Very high	65 Å²	65	72 Å²	72	34%	0.34	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-29.5	178.3	-82.9	172.5	0	0	0	112.8	F140 I174 D175 S180 Y183	F140-L178 HydrophobicContact CE1-CD2 3.99Å; F140-L178 HydrophobicContact CE1-CG 4.07Å; F140-L178 HydrophobicContact CZ-CD2 4.17Å; F140-L178 HydrophobicContact CZ-CG 3.96Å; I174-L178 HydrophobicContact CG2-CD1 3.79Å; I174-L178 HydrophobicContact CG2-CG 4.27Å; I174-L178 WeakPolarHBondContact O-CB 3.37Å; I174-L178 VanDerWaalsContact O-CG 3.29Å; I174-L178 WeakPolarHBondContact O-CG 3.28Å; I174-L178 PolarHBondContact O-N 2.92Å; D175-L178 PolarHBondContact O-N 2.71Å; L178-S180 VanDerWaalsContact C-N 3.26Å; L178-S180 PolarHBondContact O-N 3.18Å; L178-Y183 HydrophobicContact CD2-CD1 3.66Å; L178-Y183 HydrophobicContact CD2-CE1 3.48Å; L178-Y183 VanDerWaalsContact CD2-CE1 3.48Å; L178-Y183 HydrophobicContact CD2-CG 4.46Å
179	A	92.9	Very high	95.2	Very high	89 Å²	89	65.7 Å²	65.7	74%	0.736	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.2	178.6	0	0	0	0	0	113.8	D175 N177	D175-A179 PolarHBondContact O-N 3.17Å; N177-A179 PolarHBondContact O-N 2.95Å
180	S	91.5	Very high	94.7	Very high	90 Å²	90	66.3 Å²	66.3	63%	0.629	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	-19.1	-167.2	59.6	0	0	0	0	115.7	E176 N177 L178	E176-S180 PolarHBondContact O-OG 3.27Å; N177-S180 PolarHBondContact O-N 3.35Å; N177-S180 VanDerWaalsContact O-N 3.14Å; L178-S180 VanDerWaalsContact C-N 3.26Å; L178-S180 PolarHBondContact O-N 3.18Å
181	L	94.1	Very high	94.1	Very high	73 Å²	73	69 Å²	69	38%	0.382	36%	0.359	S	S	.	.			trans	-117.5	139	-171.6	-61.1	-177.6	0	0	0	112.3	F140 N177	F140-L181 HydrophobicContact CB-CB 4.41Å; F140-L181 HydrophobicContact CB-CD1 4.06Å; F140-L181 HydrophobicContact CD1-CB 4.06Å; N177-L181 HydrophobicContact CB-CD1 4.27Å; N177-L181 WeakPolarHBondContact O-CB 3.33Å; N177-L181 PolarHBondContact O-N 3.42Å; N177-L181 VanDerWaalsContact OD1-CD1 3.31Å; N177-L181 WeakPolarHBondContact OD1-CD1 3.47Å
182	P	95.4	Very high	93.7	Very high	99 Å²	99	65.3 Å²	65.3	64%	0.643	35%	0.346	S	S	*	.			trans	-64.9	151.4	164.7	31.1	-34.4	0	0	0	109.6
183	Y	97.2	Very high	93.5	Very high	84 Å²	84	60.9 Å²	60.9	33%	0.329	34%	0.341	S	S	.	.			trans	-137.1	156.7	178.7	68.3	-86.8	0	0	0	111.6	R138 C139 F140 L178 I185 S220	R138-Y183 HydrophobicContact CB-CD2 3.98Å; R138-Y183 HydrophobicContact CB-CG 4.43Å; R138-Y183 HydrophobicContact CG-CD2 3.8Å; R138-Y183 HydrophobicContact CG-CE2 3.92Å; C139-Y183 WeakPolarHBondContact O-CA 3.45Å; F140-Y183 HydrophobicContact CE1-CD1 4.18Å; F140-Y183 HydrophobicContact CE1-CG 4.09Å; L178-Y183 HydrophobicContact CD2-CD1 3.66Å; L178-Y183 HydrophobicContact CD2-CE1 3.48Å; L178-Y183 VanDerWaalsContact CD2-CE1 3.48Å; L178-Y183 HydrophobicContact CD2-CG 4.46Å; Y183-I185 HydrophobicContact CD2-CG1 4.28Å; Y183-I185 HydrophobicContact CE2-CD1 4.43Å; Y183-I185 HydrophobicContact CE2-CG1 4Å; Y183-S220 WeakPolarHBondContact O-CA 3.47Å; Y183-S220 WeakPolarHBondContact O-CB 3.38Å
184	V	97.7	Very high	93.4	Very high	23 Å²	23	57.7 Å²	57.7	14%	0.139	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	158	164.5	-60.5	0	0	0	0	108.6	C139 R186 I216 V218	C139-V184 HydrophobicContact CB-CG2 3.83Å; C139-V184 PolarHBondContact N-O 3.33Å; C139-V184 PolarHBondContact O-N 3.11Å; V184-R186 HydrophobicContact CG2-CG 4.26Å; V184-I216 HydrophobicContact CB-CD1 4.3Å; V184-I216 HydrophobicContact CB-CG1 4.35Å; V184-I216 HydrophobicContact CB-CG2 4.08Å; V184-I216 HydrophobicContact CG1-CD1 4.26Å; V184-I216 HydrophobicContact CG2-CD1 4Å; V184-I216 HydrophobicContact CG2-CG1 3.96Å; V184-V218 WeakPolarHBondContact CA-O 3.33Å; V184-V218 WeakPolarHBondContact CB-O 3.3Å
185	I	98.3	Very high	93.4	Very high	7 Å²	7	61.3 Å²	61.3	4%	0.036	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.6	169.8	-54.9	175	0	0	0	107.7	A127 I131 A136 Y137 Y183 I216 I217 V218	A127-I185 HydrophobicContact CB-CD1 3.89Å; I131-I185 HydrophobicContact CD1-CD1 3.84Å; I131-I185 HydrophobicContact CD1-CG1 4.14Å; I131-I185 HydrophobicContact CD1-CG2 3.94Å; I131-I185 HydrophobicContact CG1-CG2 4.08Å; A136-I185 HydrophobicContact CB-CG2 3.85Å; Y137-I185 WeakPolarHBondContact O-CA 3.49Å; Y183-I185 HydrophobicContact CD2-CG1 4.28Å; Y183-I185 HydrophobicContact CE2-CD1 4.43Å; Y183-I185 HydrophobicContact CE2-CG1 4Å; I185-I216 CarbonylContact O-C 3.53Å; I185-I216 WeakPolarHBondContact O-CA 3.47Å; I185-I217 HydrophobicContact CB-CG1 4.06Å; I185-I217 HydrophobicContact CG2-CD1 3.78Å; I185-I217 HydrophobicContact CG2-CG1 3.72Å; I185-I217 WeakPolarHBondContact O-CG1 3.27Å; I185-I217 PolarHBondContact O-N 2.92Å; I185-V218 HydrophobicContact CB-CB 3.93Å; I185-V218 HydrophobicContact CB-CG2 4.28Å; I185-V218 HydrophobicContact CD1-CB 3.98Å; I185-V218 HydrophobicContact CD1-CG1 4.42Å; I185-V218 HydrophobicContact CD1-CG2 4.02Å; I185-V218 HydrophobicContact CG1-CB 4.07Å; I185-V218 PolarHBondContact N-O 2.78Å; I185-V218 PolarHBondContact O-N 3.45Å
186	R	97.9	Very high	93.4	Very high	19 Å²	19	57.3 Å²	57.3	7%	0.072	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.7	175.7	-69.4	-179.2	-179.1	-82.8	-5.7	110.6	A136 Y137 C139 V184 D214 F215 I216	A136-R186 CarbonylContact C-O 3.55Å; A136-R186 WeakPolarHBondContact CA-O 3.34Å; A136-R186 VanDerWaalsContact CB-O 3.29Å; A136-R186 WeakPolarHBondContact CB-O 3.35Å; Y137-R186 HydrophobicContact CE1-CB 3.95Å; Y137-R186 HydrophobicContact CE2-CB 4.19Å; Y137-R186 PolarHBondContact N-O 2.84Å; Y137-R186 PolarHBondContact O-N 3.09Å; Y137-R186 WeakPolarHBondContact OH-CD 3.31Å; C139-R186 HydrophobicContact CB-CG 4.04Å; C139-R186 PolarHBondContact SG-NE 3.12Å; V184-R186 HydrophobicContact CG2-CG 4.26Å; R186-D214 HydrophobicContact CB-CB 4.44Å; R186-D214 PolarHBondContact NH1-O 3.48Å; R186-F215 CarbonylContact C-O 3.6Å; R186-F215 VanDerWaalsContact CA-O 3.25Å; R186-F215 WeakPolarHBondContact CA-O 3.28Å; R186-I216 HydrophobicContact CG-CG1 4.11Å
187	F	97.1	Very high	93.5	Very high	5 Å²	5	57.2 Å²	57.2	2%	0.022	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	137.5	167.8	-172.1	-97.2	0	0	0	109.8	F135 T189 D214 F215 I217 M257 L258 A261	F135-F187 HydrophobicContact CB-CE2 4.26Å; F187-T189 PolarHBondContact O-N 2.99Å; F187-D214 VanDerWaalsContact O-CA 3.26Å; F187-D214 WeakPolarHBondContact O-CA 3.32Å; F187-D214 VanDerWaalsContact O-CB 3.24Å; F187-D214 WeakPolarHBondContact O-CB 3.44Å; F187-F215 HydrophobicContact CB-CD1 4.39Å; F187-F215 HydrophobicContact CB-CD2 4.24Å; F187-F215 HydrophobicContact CB-CE1 3.97Å; F187-F215 HydrophobicContact CB-CE2 3.82Å; F187-F215 HydrophobicContact CB-CZ 3.67Å; F187-F215 AromaticContact CD1-CE1 3.58Å; F187-F215 HydrophobicContact CD1-CE1 3.58Å; F187-F215 AromaticContact CD1-CZ 3.64Å; F187-F215 HydrophobicContact CD1-CZ 3.64Å; F187-F215 HydrophobicContact CE1-CE1 4.44Å; F187-F215 HydrophobicContact CE1-CZ 4.47Å; F187-F215 HydrophobicContact CG-CE1 4.06Å; F187-F215 HydrophobicContact CG-CE2 4.31Å; F187-F215 AromaticContact CG-CZ 3.73Å; F187-F215 HydrophobicContact CG-CZ 3.73Å; F187-F215 PolarHBondContact N-O 2.93Å; F187-I217 HydrophobicContact CB-CG2 3.73Å; F187-M257 HydrophobicContact CD1-CE 4.37Å; F187-M257 HydrophobicContact CE1-CB 3.84Å; F187-M257 HydrophobicContact CE1-CE 3.72Å; F187-M257 HydrophobicContact CZ-CB 4.07Å; F187-L258 HydrophobicContact CD2-CD2 3.47Å; F187-L258 VanDerWaalsContact CD2-CD2 3.47Å; F187-L258 HydrophobicContact CD2-CG 4.43Å; F187-L258 HydrophobicContact CE2-CD2 3.69Å; F187-L258 HydrophobicContact CE2-CG 4.42Å; F187-L258 HydrophobicContact CG-CD2 4.2Å; F187-A261 HydrophobicContact CE2-CB 3.67Å; F187-A261 HydrophobicContact CZ-CB 3.84Å
188	K	95.3	Very high	93.6	Very high	83 Å²	83	55.7 Å²	55.7	36%	0.361	32%	0.316	S	S	.	.			trans	-86.2	97.2	179.5	-168.1	-179.6	-178.8	174.6	0	109.1	G134 F135 Y137 R167	G134-K188 WeakPolarHBondContact O-CD 3.38Å; F135-K188 VanDerWaalsContact O-CB 3.24Å; F135-K188 WeakPolarHBondContact O-CB 3.42Å; F135-K188 PolarHBondContact O-N 3.33Å; Y137-K188 HydrophobicContact CD1-CB 4.42Å; Y137-K188 HydrophobicContact CE1-CB 4.47Å; R167-K188 VanDerWaalsContact CZ-CG 3.41Å; R167-K188 VanDerWaalsContact NH2-CG 3.25Å
189	T	92.6	Very high	93.7	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.025	32%	0.316	C	S	.	.			trans	-71.1	130.8	-178.1	-63.3	0	0	0	0	110.9	R167 F187 P208 L209 G213 D214 M257	R167-T189 PolarHBondContact NH2-O 3.13Å; F187-T189 PolarHBondContact O-N 2.99Å; T189-P208 HydrophobicContact CG2-CB 4.03Å; T189-L209 HydrophobicContact CG2-CB 4.16Å; T189-L209 HydrophobicContact CG2-CD1 4.07Å; T189-G213 WeakPolarHBondContact CB-O 3.41Å; T189-G213 PolarHBondContact OG1-O 3.43Å; T189-D214 WeakPolarHBondContact CB-OD1 3.46Å; T189-D214 PolarHBondContact N-OD1 2.88Å; T189-M257 HydrophobicContact CG2-CE 3.56Å; T189-M257 HydrophobicContact CG2-SD 4.42Å
190	D	84.9	Confident	93.8	Very high	52 Å²	52	51.7 Å²	51.7	28%	0.278	28%	0.282	S	S	.	.			trans	-86.3	162.2	172.1	73.7	-1.6	0	0	0	111.2	S192 K260	D190-S192 VanDerWaalsContact CG-OG 3.25Å; D190-S192 PolarHBondContact O-N 3.21Å; D190-S192 PolarHBondContact OD1-N 3.34Å; D190-S192 WeakPolarHBondContact OD2-CB 3.4Å; D190-S192 PolarHBondContact OD2-OG 3.2Å; D190-K260 IonicContact OD2-NZ 3.64Å; D190-K260 PolarHBondContact OD2-NZ 3.24Å
191	N	82.2	Confident	94	Very high	110 Å²	110	49.4 Å²	49.4	59%	0.588	26%	0.26	S	S	*	.	S	Bend	trans	-86.4	15.7	177.7	-163.9	30	0	0	0	112.6	L209	N191-L209 HydrophobicContact CB-CD2 3.68Å; N191-L209 WeakPolarHBondContact OD1-CD2 3.26Å
192	S	85.3	Confident	94	Very high	44 Å²	44	47.2 Å²	47.2	31%	0.308	26%	0.255	S	S	.	.			trans	-80.7	133.1	-174.2	-51.6	0	0	0	0	109.4	D190 I194	D190-S192 VanDerWaalsContact CG-OG 3.25Å; D190-S192 PolarHBondContact O-N 3.21Å; D190-S192 PolarHBondContact OD1-N 3.34Å; D190-S192 WeakPolarHBondContact OD2-CB 3.4Å; D190-S192 PolarHBondContact OD2-OG 3.2Å; S192-I194 PolarHBondContact O-N 2.99Å
193	P	90.2	Very high	94.1	Very high	91 Å²	91	45.4 Å²	45.4	59%	0.591	25%	0.245	S	C	*	.			trans	-60.9	139.3	167.5	26.3	-32.2	0	0	0	109.6	I205 F206	P193-I205 HydrophobicContact CB-CG2 3.76Å; P193-F206 CarbonylContact C-O 3.6Å; P193-F206 WeakPolarHBondContact CA-O 3.36Å
194	I	93	Very high	93.9	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.082	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.2	178.4	-60.1	-63.7	0	0	0	108.1	S192 F206 P208 P253 L256 M257	S192-I194 PolarHBondContact O-N 2.99Å; I194-F206 PolarHBondContact N-O 3.2Å; I194-F206 PolarHBondContact O-N 2.82Å; I194-P208 HydrophobicContact CB-CG 4.37Å; I194-P208 HydrophobicContact CG1-CG 3.79Å; I194-P253 HydrophobicContact CB-CB 4.36Å; I194-P253 HydrophobicContact CG2-CB 4.23Å; I194-L256 HydrophobicContact CG2-CB 3.97Å; I194-L256 HydrophobicContact CG2-CD1 3.74Å; I194-L256 HydrophobicContact CG2-CG 4.5Å; I194-M257 HydrophobicContact CD1-CG 4.02Å; I194-M257 HydrophobicContact CG1-CG 3.98Å
195	E	95.5	Very high	93.7	Very high	106 Å²	106	48.6 Å²	48.6	50%	0.495	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.8	170.9	-171	-179.8	-177.6	0	0	109.8	N197 S203 I205 L256	E195-N197 PolarHBondContact OE1-OD1 2.79Å; E195-S203 VanDerWaalsContact CG-OG 3.26Å; E195-S203 WeakPolarHBondContact CG-OG 3.33Å; E195-S203 PolarHBondContact OE1-OG 3.23Å; E195-I205 HydrophobicContact CB-CG1 4.46Å; E195-I205 HydrophobicContact CG-CG1 4.35Å; E195-L256 WeakPolarHBondContact O-CD1 3.46Å
196	V	96	Very high	93.3	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.4	173.3	176.6	0	0	0	0	107.8	S203 S204 F206 L249 T252 P253 L256	V196-S203 CarbonylContact O-C 3.38Å; V196-S203 WeakPolarHBondContact O-CA 3.34Å; V196-S204 PolarHBondContact N-O 3.23Å; V196-S204 PolarHBondContact O-N 3.33Å; V196-F206 HydrophobicContact CB-CD2 4.2Å; V196-F206 HydrophobicContact CB-CE2 3.96Å; V196-F206 HydrophobicContact CG2-CD2 3.64Å; V196-F206 HydrophobicContact CG2-CE2 3.77Å; V196-L249 HydrophobicContact CG1-CD1 4.27Å; V196-T252 HydrophobicContact CG1-CG2 3.71Å; V196-T252 HydrophobicContact CG2-CG2 4.22Å; V196-P253 HydrophobicContact CG2-CG 3.82Å; V196-L256 HydrophobicContact CG2-CD1 3.87Å
197	N	97.1	Very high	92.7	Very high	99 Å²	99	53 Å²	53	53%	0.529	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	102.5	173.9	-73.1	-59.4	0	0	0	109.7	E195 S203	E195-N197 PolarHBondContact OE1-OD1 2.79Å; N197-S203 VanDerWaalsContact OD1-CB 3.27Å; N197-S203 WeakPolarHBondContact OD1-CB 3.38Å; N197-S203 PolarHBondContact OD1-OG 3.42Å
198	D	97.5	Very high	91.8	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.9	176.3	-171.4	-95	0	0	0	111.3	V200 Y201 G202 L249 A270 H271	D198-V200 VanDerWaalsContact C-N 3.28Å; D198-V200 PolarHBondContact O-N 2.89Å; D198-V200 WeakPolarHBondContact OD1-CA 3.42Å; D198-V200 WeakPolarHBondContact OD1-CB 3.35Å; D198-V200 PolarHBondContact OD1-N 3.17Å; D198-Y201 PolarHBondContact OD1-N 3.49Å; D198-G202 PolarHBondContact N-O 2.95Å; D198-G202 WeakPolarHBondContact O-CA 3.4Å; D198-G202 PolarHBondContact O-N 3.31Å; D198-L249 HydrophobicContact CB-CD1 4.32Å; D198-A270 WeakPolarHBondContact OD2-CA 3.41Å; D198-H271 PolarHBondContact OD1-N 3.34Å; D198-H271 IonicContact OD2-CE1 3.06Å; D198-H271 IonicContact OD2-CG 3.21Å; D198-H271 PolarHBondContact OD2-N 3.28Å; D198-H271 IonicContact OD2-ND1 2.75Å; D198-H271 PolarHBondContact OD2-ND1 3.3Å
199	I	96.9	Very high	90.8	Very high	65 Å²	65	51.3 Å²	51.3	33%	0.333	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.5	-179.3	-67.5	169.3	0	0	0	111.9	K268 F269 A270 L350	I199-K268 HydrophobicContact CD1-CB 4.08Å; I199-F269 WeakPolarHBondContact CG1-O 3.41Å; I199-F269 PolarHBondContact N-O 3.32Å; I199-A270 HydrophobicContact CB-CB 4.05Å; I199-A270 HydrophobicContact CD1-CB 4.29Å; I199-L350 HydrophobicContact CD1-CD1 4.18Å; I199-L350 HydrophobicContact CG2-CB 3.8Å
200	V	95	Very high	89.9	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.03	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-46.2	-176	-179.2	0	0	0	0	110.7	D198 A270 I353 R355	D198-V200 VanDerWaalsContact C-N 3.28Å; D198-V200 PolarHBondContact O-N 2.89Å; D198-V200 WeakPolarHBondContact OD1-CA 3.42Å; D198-V200 WeakPolarHBondContact OD1-CB 3.35Å; D198-V200 PolarHBondContact OD1-N 3.17Å; V200-A270 HydrophobicContact CG2-CB 4.26Å; V200-I353 HydrophobicContact CG1-CB 4.08Å; V200-I353 HydrophobicContact CG1-CG2 3.85Å; V200-I353 HydrophobicContact CG2-CB 4.03Å; V200-I353 HydrophobicContact CG2-CD1 4.24Å; V200-I353 HydrophobicContact CG2-CG2 4.22Å; V200-R355 HydrophobicContact CG1-CG 4.35Å; V200-R355 WeakPolarHBondContact O-CG 3.24Å; V200-R355 PolarHBondContact O-NE 3.22Å
201	Y	94.7	Very high	89.5	Confident	43 Å²	43	54.9 Å²	54.9	17%	0.169	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-8.1	-172.9	-70.5	-87.4	0	0	0	114.6	D198 F246 L249 H271 P273 R355	D198-Y201 PolarHBondContact OD1-N 3.49Å; Y201-F246 HydrophobicContact CD1-CD2 4.34Å; Y201-F246 AromaticContact CD1-CE2 3.95Å; Y201-F246 HydrophobicContact CD1-CE2 3.95Å; Y201-F246 HydrophobicContact CD2-CD2 4.05Å; Y201-F246 HydrophobicContact CD2-CE2 4.36Å; Y201-F246 AromaticContact CE1-CD2 3.77Å; Y201-F246 HydrophobicContact CE1-CD2 3.77Å; Y201-F246 AromaticContact CE1-CE2 3.57Å; Y201-F246 HydrophobicContact CE1-CE2 3.57Å; Y201-F246 AromaticContact CE2-CD2 3.43Å; Y201-F246 HydrophobicContact CE2-CD2 3.43Å; Y201-F246 VanDerWaalsContact CE2-CD2 3.43Å; Y201-F246 HydrophobicContact CE2-CE2 4.03Å; Y201-F246 HydrophobicContact CE2-CG 4.37Å; Y201-F246 HydrophobicContact CG-CD2 4.47Å; Y201-F246 HydrophobicContact CG-CE2 4.33Å; Y201-F246 AromaticContact CZ-CD2 3.27Å; Y201-F246 AromaticContact CZ-CE2 3.62Å; Y201-F246 WeakPolarHBondContact OH-CD2 3.42Å; Y201-L249 HydrophobicContact CG-CD2 4.46Å; Y201-H271 HydrophobicContact CD2-CB 4.07Å; Y201-H271 HydrophobicContact CE2-CB 4.05Å; Y201-H271 VanDerWaalsContact CE2-O 3.24Å; Y201-H271 WeakPolarHBondContact CE2-O 3.5Å; Y201-P273 WeakPolarHBondContact OH-CA 3.31Å; Y201-R355 HydrophobicContact CD1-CB 4.21Å; Y201-R355 HydrophobicContact CD1-CG 4.2Å; Y201-R355 HydrophobicContact CE1-CB 3.88Å; Y201-R355 HydrophobicContact CE1-CG 4.29Å; Y201-R355 WeakPolarHBondContact CE1-O 3.48Å; Y201-R355 PolarHBondContact OH-O 3.08Å
202	G	94.9	Very high	89.2	Confident	26 Å²	26	52.8 Å²	52.8	27%	0.268	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.8	-158.5	-178.7	0	0	0	0	0	113.3	D198	D198-G202 PolarHBondContact N-O 2.95Å; D198-G202 WeakPolarHBondContact O-CA 3.4Å; D198-G202 PolarHBondContact O-N 3.31Å
203	S	96	Very high	89.3	Confident	62 Å²	62	50.8 Å²	50.8	43%	0.434	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	139.2	-179.7	-177.5	0	0	0	0	111.8	E195 V196 N197	E195-S203 VanDerWaalsContact CG-OG 3.26Å; E195-S203 WeakPolarHBondContact CG-OG 3.33Å; E195-S203 PolarHBondContact OE1-OG 3.23Å; V196-S203 CarbonylContact O-C 3.38Å; V196-S203 WeakPolarHBondContact O-CA 3.34Å; N197-S203 VanDerWaalsContact OD1-CB 3.27Å; N197-S203 WeakPolarHBondContact OD1-CB 3.38Å; N197-S203 PolarHBondContact OD1-OG 3.42Å
204	S	94	Very high	89.5	Confident	48 Å²	48	46.5 Å²	46.5	34%	0.336	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	136.8	173.5	-69.4	0	0	0	0	110.3	V196	V196-S204 PolarHBondContact N-O 3.23Å; V196-S204 PolarHBondContact O-N 3.33Å
205	I	93	Very high	89.6	Confident	125 Å²	125	46.5 Å²	46.5	64%	0.641	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	128.3	-179.5	-58.5	173.6	0	0	0	109.4	P193 E195	P193-I205 HydrophobicContact CB-CG2 3.76Å; E195-I205 HydrophobicContact CB-CG1 4.46Å; E195-I205 HydrophobicContact CG-CG1 4.35Å
206	F	89.9	Confident	89.6	Confident	54 Å²	54	44 Å²	44	24%	0.237	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.8	177.9	-64.8	-95.3	0	0	0	110.7	P193 I194 V196 P208 P253	P193-F206 CarbonylContact C-O 3.6Å; P193-F206 WeakPolarHBondContact CA-O 3.36Å; I194-F206 PolarHBondContact N-O 3.2Å; I194-F206 PolarHBondContact O-N 2.82Å; V196-F206 HydrophobicContact CB-CD2 4.2Å; V196-F206 HydrophobicContact CB-CE2 3.96Å; V196-F206 HydrophobicContact CG2-CD2 3.64Å; V196-F206 HydrophobicContact CG2-CE2 3.77Å; F206-P208 WeakPolarHBondContact O-CD 3.22Å; F206-P253 HydrophobicContact CB-CB 4.19Å; F206-P253 HydrophobicContact CB-CG 3.61Å; F206-P253 HydrophobicContact CD1-CG 4.04Å; F206-P253 HydrophobicContact CD2-CG 3.61Å; F206-P253 HydrophobicContact CE2-CG 4.27Å; F206-P253 HydrophobicContact CG-CG 3.47Å; F206-P253 VanDerWaalsContact CG-CG 3.47Å
207	N	86.3	Confident	89.7	Confident	64 Å²	64	43.9 Å²	43.9	34%	0.342	25%	0.25	S	C	.	.			trans	-113.1	91.7	169	-173.9	-34.5	0	0	0	109.7	L209 S210 S211	N207-L209 VanDerWaalsContact C-N 3.31Å; N207-L209 PolarHBondContact O-N 3Å; N207-L209 PolarHBondContact OD1-N 2.91Å; N207-S210 PolarHBondContact O-N 3.34Å; N207-S210 PolarHBondContact O-OG 3.33Å; N207-S210 PolarHBondContact OD1-N 3.31Å; N207-S211 PolarHBondContact O-OG 3.19Å
208	P	77	Confident	89.8	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-33.5	-171.8	-22.7	33.9	0	0	0	113.8	T189 I194 F206 S210 S211 E212 G213 P253 M257	T189-P208 HydrophobicContact CG2-CB 4.03Å; I194-P208 HydrophobicContact CB-CG 4.37Å; I194-P208 HydrophobicContact CG1-CG 3.79Å; F206-P208 WeakPolarHBondContact O-CD 3.22Å; P208-S210 VanDerWaalsContact C-N 3.29Å; P208-S210 PolarHBondContact O-N 2.94Å; P208-S211 PolarHBondContact O-N 3.5Å; P208-S211 PolarHBondContact O-OG 3.46Å; P208-E212 WeakPolarHBondContact O-CB 3.39Å; P208-E212 PolarHBondContact O-N 2.83Å; P208-G213 PolarHBondContact O-N 3.06Å; P208-P253 HydrophobicContact CG-CB 4.1Å; P208-M257 HydrophobicContact CB-CE 4.41Å; P208-M257 HydrophobicContact CB-SD 3.61Å; P208-M257 HydrophobicContact CG-SD 3.61Å
209	L	74.5	Confident	89.7	Confident	49 Å²	49	41.7 Å²	41.7	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-38.3	-178.7	-172.1	67.4	0	0	0	111.6	T189 N191 N207	T189-L209 HydrophobicContact CG2-CB 4.16Å; T189-L209 HydrophobicContact CG2-CD1 4.07Å; N191-L209 HydrophobicContact CB-CD2 3.68Å; N191-L209 WeakPolarHBondContact OD1-CD2 3.26Å; N207-L209 VanDerWaalsContact C-N 3.31Å; N207-L209 PolarHBondContact O-N 3Å; N207-L209 PolarHBondContact OD1-N 2.91Å
210	S	74.8	Confident	89.6	Confident	64 Å²	64	42.5 Å²	42.5	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-69	-32.5	-179.9	70.2	0	0	0	0	113.4	N207 P208	N207-S210 PolarHBondContact O-N 3.34Å; N207-S210 PolarHBondContact O-OG 3.33Å; N207-S210 PolarHBondContact OD1-N 3.31Å; P208-S210 VanDerWaalsContact C-N 3.29Å; P208-S210 PolarHBondContact O-N 2.94Å
211	S	75	Confident	89.5	Confident	67 Å²	67	45.9 Å²	45.9	47%	0.469	27%	0.265	S	S	.	.	H	α-helix	trans	-102.4	-29.8	-172.4	56.5	0	0	0	0	114.7	N207 P208	N207-S211 PolarHBondContact O-OG 3.19Å; P208-S211 PolarHBondContact O-N 3.5Å; P208-S211 PolarHBondContact O-OG 3.46Å
212	E	75.9	Confident	89.4	Confident	66 Å²	66	44.4 Å²	44.4	31%	0.308	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-40	-167.5	-62.9	-74.9	-174.6	0	0	113.6	P208 K254	P208-E212 WeakPolarHBondContact O-CB 3.39Å; P208-E212 PolarHBondContact O-N 2.83Å; E212-K254 WeakPolarHBondContact OE1-CE 3.34Å; E212-K254 IonicContact OE1-NZ 3.38Å; E212-K254 PolarHBondContact OE1-NZ 3.12Å; E212-K254 WeakPolarHBondContact OE2-CE 3.32Å; E212-K254 IonicContact OE2-NZ 3.94Å; E212-K254 PolarHBondContact OE2-NZ 3.32Å
213	G	88.8	Confident	89.4	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.021	25%	0.253	C	S	.	.			trans	63.4	-156.3	-168.6	0	0	0	0	0	113.2	T189 P208 F215	T189-G213 WeakPolarHBondContact CB-O 3.41Å; T189-G213 PolarHBondContact OG1-O 3.43Å; P208-G213 PolarHBondContact O-N 3.06Å; G213-F215 PolarHBondContact O-N 3.33Å; G213-F215 VanDerWaalsContact O-N 3.12Å
214	D	94.5	Very high	89.4	Confident	2 Å²	2	41 Å²	41	1%	0.011	23%	0.233	C	C	.	.	S	Bend	trans	-77.5	96.7	-179.9	-72.6	3.7	0	0	0	110.9	Y137 Y162 N164 R167 R186 F187 T189	Y137-D214 HydrophobicContact CE1-CB 4.26Å; Y137-D214 VanDerWaalsContact CE1-OD2 3.22Å; Y137-D214 WeakPolarHBondContact CE1-OD2 3.42Å; Y137-D214 VanDerWaalsContact OH-CB 3.22Å; Y137-D214 WeakPolarHBondContact OH-CB 3.26Å; Y137-D214 PolarHBondContact OH-OD2 3.34Å; Y162-D214 HydrophobicContact CD1-CB 4.18Å; N164-D214 VanDerWaalsContact OD1-CG 3.31Å; N164-D214 PolarHBondContact OD1-OD2 3.27Å; R167-D214 IonicContact CZ-OD1 2.9Å; R167-D214 IonicContact CZ-OD2 3.98Å; R167-D214 IonicContact NE-OD2 3.92Å; R167-D214 PolarHBondContact NE-OD2 3.05Å; R167-D214 IonicContact NH2-OD1 2.77Å; R167-D214 PolarHBondContact NH2-OD1 3.24Å; R167-D214 IonicContact NH2-OD2 3.39Å; R167-D214 PolarHBondContact NH2-OD2 3.33Å; R186-D214 HydrophobicContact CB-CB 4.44Å; R186-D214 PolarHBondContact NH1-O 3.48Å; F187-D214 VanDerWaalsContact O-CA 3.26Å; F187-D214 WeakPolarHBondContact O-CA 3.32Å; F187-D214 VanDerWaalsContact O-CB 3.24Å; F187-D214 WeakPolarHBondContact O-CB 3.44Å; T189-D214 WeakPolarHBondContact CB-OD1 3.46Å; T189-D214 PolarHBondContact N-OD1 2.88Å
215	F	94.2	Very high	89.5	Confident	15 Å²	15	40.1 Å²	40.1	7%	0.066	23%	0.225	C	C	.	.			trans	-80.1	152.2	-176.9	61.5	-88.8	0	0	0	112.1	R186 F187 G213 I217 K254 L258	R186-F215 CarbonylContact C-O 3.6Å; R186-F215 VanDerWaalsContact CA-O 3.25Å; R186-F215 WeakPolarHBondContact CA-O 3.28Å; F187-F215 HydrophobicContact CB-CD1 4.39Å; F187-F215 HydrophobicContact CB-CD2 4.24Å; F187-F215 HydrophobicContact CB-CE1 3.97Å; F187-F215 HydrophobicContact CB-CE2 3.82Å; F187-F215 HydrophobicContact CB-CZ 3.67Å; F187-F215 AromaticContact CD1-CE1 3.58Å; F187-F215 HydrophobicContact CD1-CE1 3.58Å; F187-F215 AromaticContact CD1-CZ 3.64Å; F187-F215 HydrophobicContact CD1-CZ 3.64Å; F187-F215 HydrophobicContact CE1-CE1 4.44Å; F187-F215 HydrophobicContact CE1-CZ 4.47Å; F187-F215 HydrophobicContact CG-CE1 4.06Å; F187-F215 HydrophobicContact CG-CE2 4.31Å; F187-F215 AromaticContact CG-CZ 3.73Å; F187-F215 HydrophobicContact CG-CZ 3.73Å; F187-F215 PolarHBondContact N-O 2.93Å; G213-F215 PolarHBondContact O-N 3.33Å; G213-F215 VanDerWaalsContact O-N 3.12Å; F215-I217 HydrophobicContact CD2-CG2 3.92Å; F215-I217 HydrophobicContact CE2-CG2 3.55Å; F215-K254 HydrophobicContact CD1-CD 4.38Å; F215-K254 HydrophobicContact CD1-CG 4.22Å; F215-K254 HydrophobicContact CD2-CD 4.42Å; F215-K254 HydrophobicContact CE1-CB 4.2Å; F215-K254 HydrophobicContact CE1-CG 3.97Å; F215-K254 HydrophobicContact CE2-CB 4.32Å; F215-K254 HydrophobicContact CG-CD 4.34Å; F215-K254 HydrophobicContact CZ-CB 3.91Å; F215-K254 HydrophobicContact CZ-CG 4.14Å; F215-L258 HydrophobicContact CE2-CD1 4.36Å; F215-L258 HydrophobicContact CZ-CD1 4.5Å; F215-L258 HydrophobicContact CZ-CG 4.4Å
216	I	96.4	Very high	89.6	Confident	53 Å²	53	36 Å²	36	27%	0.272	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.5	176.8	-63.6	173.3	0	0	0	109	V184 I185 R186 V218 V225	V184-I216 HydrophobicContact CB-CD1 4.3Å; V184-I216 HydrophobicContact CB-CG1 4.35Å; V184-I216 HydrophobicContact CB-CG2 4.08Å; V184-I216 HydrophobicContact CG1-CD1 4.26Å; V184-I216 HydrophobicContact CG2-CD1 4Å; V184-I216 HydrophobicContact CG2-CG1 3.96Å; I185-I216 CarbonylContact O-C 3.53Å; I185-I216 WeakPolarHBondContact O-CA 3.47Å; R186-I216 HydrophobicContact CG-CG1 4.11Å; I216-V218 VanDerWaalsContact CG2-O 3.26Å; I216-V218 WeakPolarHBondContact CG2-O 3.42Å; I216-V225 HydrophobicContact CG2-CG1 3.95Å; I216-V225 WeakPolarHBondContact O-CG2 3.48Å
217	I	98	Very high	89.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-28	171.7	55.3	168.9	0	0	0	113.2	L130 A136 I185 F187 F215 P224 V225 L228 L258	L130-I217 HydrophobicContact CD1-CD1 3.87Å; A136-I217 HydrophobicContact CB-CD1 3.86Å; I185-I217 HydrophobicContact CB-CG1 4.06Å; I185-I217 HydrophobicContact CG2-CD1 3.78Å; I185-I217 HydrophobicContact CG2-CG1 3.72Å; I185-I217 WeakPolarHBondContact O-CG1 3.27Å; I185-I217 PolarHBondContact O-N 2.92Å; F187-I217 HydrophobicContact CB-CG2 3.73Å; F215-I217 HydrophobicContact CD2-CG2 3.92Å; F215-I217 HydrophobicContact CE2-CG2 3.55Å; I217-P224 WeakPolarHBondContact O-CA 3.32Å; I217-V225 PolarHBondContact O-N 2.88Å; I217-L228 HydrophobicContact CB-CB 4.03Å; I217-L228 HydrophobicContact CB-CD1 4.47Å; I217-L228 HydrophobicContact CB-CD2 4.06Å; I217-L228 HydrophobicContact CB-CG 4.39Å; I217-L228 HydrophobicContact CD1-CD1 4.47Å; I217-L228 HydrophobicContact CD1-CD2 4.45Å; I217-L228 HydrophobicContact CG2-CB 4.4Å; I217-L258 HydrophobicContact CG2-CD2 4.17Å
218	V	98	Very high	90.5	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.9	174.1	-176	0	0	0	0	109.3	L124 A127 V184 I185 I216 L228	L124-V218 HydrophobicContact CD2-CG1 4.02Å; A127-V218 HydrophobicContact CB-CG2 3.62Å; V184-V218 WeakPolarHBondContact CA-O 3.33Å; V184-V218 WeakPolarHBondContact CB-O 3.3Å; I185-V218 HydrophobicContact CB-CB 3.93Å; I185-V218 HydrophobicContact CB-CG2 4.28Å; I185-V218 HydrophobicContact CD1-CB 3.98Å; I185-V218 HydrophobicContact CD1-CG1 4.42Å; I185-V218 HydrophobicContact CD1-CG2 4.02Å; I185-V218 HydrophobicContact CG1-CB 4.07Å; I185-V218 PolarHBondContact N-O 2.78Å; I185-V218 PolarHBondContact O-N 3.45Å; I216-V218 VanDerWaalsContact CG2-O 3.26Å; I216-V218 WeakPolarHBondContact CG2-O 3.42Å; V218-L228 HydrophobicContact CG2-CD2 3.64Å
219	K	95.9	Very high	91.5	Very high	57 Å²	57	31.3 Å²	31.3	25%	0.248	18%	0.179	C	C	.	.			trans	-74.9	169.1	176.8	-67.4	-177.9	-71.4	152.1	0	111.2	T77 D221 G222 M223 V225	T77-K219 PolarHBondContact O-NZ 3.28Å; K219-D221 WeakPolarHBondContact CB-OD1 3.45Å; K219-D221 IonicContact NZ-OD1 2.93Å; K219-D221 IonicContact NZ-OD2 3.87Å; K219-D221 PolarHBondContact NZ-OD2 3.07Å; K219-D221 PolarHBondContact O-N 3.18Å; K219-G222 WeakPolarHBondContact O-CA 3.36Å; K219-G222 PolarHBondContact O-N 3.34Å; K219-M223 PolarHBondContact N-O 3.37Å; K219-V225 HydrophobicContact CG-CG1 4.04Å
220	S	94.3	Very high	92.6	Very high	82 Å²	82	29.1 Å²	29.1	57%	0.573	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.2	179.2	55.4	0	0	0	0	114.5	Y183 G222	Y183-S220 WeakPolarHBondContact O-CA 3.47Å; Y183-S220 WeakPolarHBondContact O-CB 3.38Å; S220-G222 PolarHBondContact O-N 3.41Å
221	D	92.5	Very high	93.7	Very high	77 Å²	77	26.1 Å²	26.1	41%	0.412	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.1	170.1	63.7	7.3	0	0	0	112.8	R120 K219 M223	R120-D221 PolarHBondContact NH2-O 3.36Å; K219-D221 WeakPolarHBondContact CB-OD1 3.45Å; K219-D221 IonicContact NZ-OD1 2.93Å; K219-D221 IonicContact NZ-OD2 3.87Å; K219-D221 PolarHBondContact NZ-OD2 3.07Å; K219-D221 PolarHBondContact O-N 3.18Å; D221-M223 VanDerWaalsContact C-N 3.31Å; D221-M223 VanDerWaalsContact OD1-CB 3.29Å; D221-M223 WeakPolarHBondContact OD1-CB 3.08Å; D221-M223 PolarHBondContact OD1-N 3.32Å
222	G	93.2	Very high	94.8	Very high	12 Å²	12	22.9 Å²	22.9	12%	0.124	12%	0.124	C	C	.	.	S	Bend	trans	77.3	9.7	-177.6	0	0	0	0	0	114.5	R120 L124 K219 S220	R120-G222 PolarHBondContact NE-O 3.31Å; L124-G222 WeakPolarHBondContact CD2-O 3.45Å; K219-G222 WeakPolarHBondContact O-CA 3.36Å; K219-G222 PolarHBondContact O-N 3.34Å; S220-G222 PolarHBondContact O-N 3.41Å
223	M	94.8	Very high	95.9	Very high	14 Å²	14	19.8 Å²	19.8	7%	0.069	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-85.9	141.2	171.3	-63.5	-63.9	-67.1	0	0	110.1	T77 R120 K219 D221	T77-M223 HydrophobicContact CG2-CE 4.3Å; R120-M223 HydrophobicContact CB-SD 4.44Å; R120-M223 HydrophobicContact CG-SD 4.15Å; K219-M223 PolarHBondContact N-O 3.37Å; D221-M223 VanDerWaalsContact C-N 3.31Å; D221-M223 VanDerWaalsContact OD1-CB 3.29Å; D221-M223 WeakPolarHBondContact OD1-CB 3.08Å; D221-M223 PolarHBondContact OD1-N 3.32Å
224	P	97	Very high	96.3	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-65.8	158.2	172.9	35.6	-42.6	0	0	0	110.6	T77 Y123 I217 L228 A229	T77-P224 HydrophobicContact CG2-CG 3.91Å; Y123-P224 HydrophobicContact CD2-CB 4.21Å; Y123-P224 HydrophobicContact CD2-CG 3.32Å; Y123-P224 HydrophobicContact CE2-CG 3.72Å; Y123-P224 HydrophobicContact CG-CB 4.21Å; Y123-P224 HydrophobicContact CG-CG 3.8Å; I217-P224 WeakPolarHBondContact O-CA 3.32Å; P224-L228 HydrophobicContact CB-CB 4.31Å; P224-L228 HydrophobicContact CB-CD2 4.15Å; P224-A229 HydrophobicContact CB-CB 4.11Å; P224-A229 HydrophobicContact CG-CB 3.84Å
225	V	95.9	Very high	96.5	Very high	30 Å²	30	23 Å²	23	18%	0.182	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-83.6	165.3	160.7	-51.2	0	0	0	0	110.1	I216 I217 K219 H227 L228 A229	I216-V225 HydrophobicContact CG2-CG1 3.95Å; I216-V225 WeakPolarHBondContact O-CG2 3.48Å; I217-V225 PolarHBondContact O-N 2.88Å; K219-V225 HydrophobicContact CG-CG1 4.04Å; V225-H227 VanDerWaalsContact C-N 3.27Å; V225-H227 HydrophobicContact CG2-CB 4.34Å; V225-H227 PolarHBondContact O-N 2.95Å; V225-H227 VanDerWaalsContact O-N 3.11Å; V225-L228 PolarHBondContact O-N 3.05Å; V225-A229 PolarHBondContact O-N 2.92Å
226	Y	94.9	Very high	96.7	Very high	39 Å²	39	25.5 Å²	25.5	15%	0.153	14%	0.135	C	C	.	.	H	α-helix	trans	-41.1	-49.2	178	171.6	-94.6	0	0	0	114.1	E75 A229 N230 R244 W248 H255	E75-Y226 WeakPolarHBondContact OE2-CD2 3.24Å; E75-Y226 WeakPolarHBondContact OE2-CE2 3.44Å; Y226-A229 PolarHBondContact O-N 3.43Å; Y226-N230 WeakPolarHBondContact CD2-ND2 3.17Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.44Å; Y226-N230 VanDerWaalsContact O-CB 3.32Å; Y226-N230 WeakPolarHBondContact O-CB 3.36Å; Y226-N230 PolarHBondContact O-N 3.09Å; Y226-N230 PolarHBondContact O-ND2 2.87Å; Y226-R244 PolarHBondContact OH-NH1 2.85Å; Y226-W248 HydrophobicContact CD1-CE3 4.09Å; Y226-W248 HydrophobicContact CD1-CH2 4.11Å; Y226-W248 AromaticContact CD1-CZ3 3.52Å; Y226-W248 HydrophobicContact CD1-CZ3 3.52Å; Y226-W248 HydrophobicContact CD2-CH2 4.06Å; Y226-W248 HydrophobicContact CD2-CZ3 4.28Å; Y226-W248 HydrophobicContact CE1-CD2 4.19Å; Y226-W248 AromaticContact CE1-CE3 3.41Å; Y226-W248 HydrophobicContact CE1-CE3 3.41Å; Y226-W248 VanDerWaalsContact CE1-CE3 3.41Å; Y226-W248 HydrophobicContact CE1-CH2 4.02Å; Y226-W248 AromaticContact CE1-CZ3 3.31Å; Y226-W248 HydrophobicContact CE1-CZ3 3.31Å; Y226-W248 HydrophobicContact CE2-CE3 4.44Å; Y226-W248 AromaticContact CE2-CH2 3.92Å; Y226-W248 HydrophobicContact CE2-CH2 3.92Å; Y226-W248 HydrophobicContact CE2-CZ2 4.19Å; Y226-W248 HydrophobicContact CE2-CZ3 4.08Å; Y226-W248 HydrophobicContact CG-CH2 4.16Å; Y226-W248 HydrophobicContact CG-CZ3 4.03Å; Y226-W248 AromaticContact CZ-CD2 3.95Å; Y226-W248 AromaticContact CZ-CE3 3.64Å; Y226-W248 AromaticContact CZ-CH2 3.93Å; Y226-W248 AromaticContact CZ-CZ3 3.63Å; Y226-H255 AromaticContact CE1-CE1 3.67Å; Y226-H255 AromaticContact CE1-NE2 3.58Å
227	H	96	Very high	96.7	Very high	24 Å²	24	23 Å²	23	11%	0.111	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-45.6	-174.2	-57	-55.5	0	0	0	113.3	V225 V231 K254 H255 L258	V225-H227 VanDerWaalsContact C-N 3.27Å; V225-H227 HydrophobicContact CG2-CB 4.34Å; V225-H227 PolarHBondContact O-N 2.95Å; V225-H227 VanDerWaalsContact O-N 3.11Å; H227-V231 WeakPolarHBondContact O-CG2 3.24Å; H227-V231 PolarHBondContact O-N 2.97Å; H227-K254 WeakPolarHBondContact NE2-CD 3.49Å; H227-H255 AromaticContact CG-NE2 3.85Å; H227-H255 AromaticContact ND1-CD2 3.53Å; H227-H255 AromaticContact ND1-NE2 3.06Å; H227-H255 PolarHBondContact ND1-NE2 2.74Å; H227-L258 HydrophobicContact CB-CD1 4.19Å
228	L	98.2	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-69.1	-47.4	179.8	-177.1	68.7	0	0	0	110.6	A127 L130 I217 V218 P224 V225 N230 V231 I232 L258	A127-L228 HydrophobicContact CB-CD2 4.15Å; L130-L228 HydrophobicContact CD1-CD1 4.06Å; I217-L228 HydrophobicContact CB-CB 4.03Å; I217-L228 HydrophobicContact CB-CD1 4.47Å; I217-L228 HydrophobicContact CB-CD2 4.06Å; I217-L228 HydrophobicContact CB-CG 4.39Å; I217-L228 HydrophobicContact CD1-CD1 4.47Å; I217-L228 HydrophobicContact CD1-CD2 4.45Å; I217-L228 HydrophobicContact CG2-CB 4.4Å; V218-L228 HydrophobicContact CG2-CD2 3.64Å; P224-L228 HydrophobicContact CB-CB 4.31Å; P224-L228 HydrophobicContact CB-CD2 4.15Å; V225-L228 PolarHBondContact O-N 3.05Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.99Å; L228-V231 PolarHBondContact O-N 3.41Å; L228-I232 HydrophobicContact CD1-CD1 3.78Å; L228-I232 HydrophobicContact CD1-CG1 4.29Å; L228-I232 HydrophobicContact CD2-CD1 4.27Å; L228-I232 HydrophobicContact CG-CD1 3.68Å; L228-I232 HydrophobicContact CG-CG1 4.46Å; L228-I232 WeakPolarHBondContact O-CG1 3.5Å; L228-I232 PolarHBondContact O-N 3.03Å; L228-I232 VanDerWaalsContact O-N 3.09Å; L228-L258 HydrophobicContact CD1-CD2 4.2Å
229	A	98	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-45.9	-179.4	0	0	0	0	0	111.4	T77 Y123 P224 V225 Y226 V231 I232 D233	T77-A229 HydrophobicContact CG2-CB 4.34Å; Y123-A229 HydrophobicContact CE1-CB 4.31Å; Y123-A229 HydrophobicContact CE2-CB 4.4Å; P224-A229 HydrophobicContact CB-CB 4.11Å; P224-A229 HydrophobicContact CG-CB 3.84Å; V225-A229 PolarHBondContact O-N 2.92Å; Y226-A229 PolarHBondContact O-N 3.43Å; A229-V231 PolarHBondContact O-N 2.86Å; A229-I232 PolarHBondContact O-N 3.41Å; A229-D233 VanDerWaalsContact O-CB 3.29Å; A229-D233 WeakPolarHBondContact O-CB 3.37Å; A229-D233 PolarHBondContact O-N 2.93Å
230	N	97.8	Very high	96.9	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-44.1	-179	-92.6	-96	0	0	0	113.5	R39 R73 E75 Y226 L228 D233 D234	R39-N230 PolarHBondContact NH1-O 3.13Å; R39-N230 PolarHBondContact NH2-OD1 2.86Å; R73-N230 PolarHBondContact NH2-OD1 2.92Å; E75-N230 VanDerWaalsContact OE1-CG 3.25Å; E75-N230 PolarHBondContact OE1-ND2 2.82Å; E75-N230 PolarHBondContact OE1-OD1 3.47Å; E75-N230 PolarHBondContact OE2-ND2 3.18Å; E75-N230 VanDerWaalsContact OE2-ND2 3.08Å; Y226-N230 WeakPolarHBondContact CD2-ND2 3.17Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.44Å; Y226-N230 VanDerWaalsContact O-CB 3.32Å; Y226-N230 WeakPolarHBondContact O-CB 3.36Å; Y226-N230 PolarHBondContact O-N 3.09Å; Y226-N230 PolarHBondContact O-ND2 2.87Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.99Å; N230-D233 PolarHBondContact O-N 3.18Å; N230-D234 VanDerWaalsContact O-CB 3.29Å; N230-D234 WeakPolarHBondContact O-CB 3.22Å; N230-D234 PolarHBondContact O-N 2.96Å
231	V	98.4	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.7	-45.7	-179.7	168.6	0	0	0	0	111	H227 L228 A229 H235 H255 L258 Y259 L262 W264	H227-V231 WeakPolarHBondContact O-CG2 3.24Å; H227-V231 PolarHBondContact O-N 2.97Å; L228-V231 PolarHBondContact O-N 3.41Å; A229-V231 PolarHBondContact O-N 2.86Å; V231-H235 WeakPolarHBondContact O-CB 3.35Å; V231-H235 PolarHBondContact O-N 3.27Å; V231-H235 VanDerWaalsContact O-N 3.12Å; V231-H255 HydrophobicContact CG2-CB 3.73Å; V231-L258 HydrophobicContact CB-CB 4.36Å; V231-L258 HydrophobicContact CB-CD1 4.49Å; V231-L258 HydrophobicContact CG1-CB 3.98Å; V231-L258 HydrophobicContact CG2-CB 4.06Å; V231-L258 HydrophobicContact CG2-CD1 4.01Å; V231-Y259 HydrophobicContact CB-CE2 4.38Å; V231-Y259 HydrophobicContact CG1-CD1 4.05Å; V231-Y259 HydrophobicContact CG1-CD2 4.16Å; V231-Y259 HydrophobicContact CG1-CE1 3.91Å; V231-Y259 HydrophobicContact CG1-CE2 4.03Å; V231-Y259 HydrophobicContact CG1-CG 4.15Å; V231-Y259 HydrophobicContact CG2-CD2 4.27Å; V231-Y259 HydrophobicContact CG2-CE2 3.9Å; V231-L262 HydrophobicContact CG1-CD1 4.35Å; V231-W264 HydrophobicContact CG1-CE3 4.33Å; V231-W264 HydrophobicContact CG1-CZ3 4.41Å
232	I	98.6	Very high	97.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.2	-48.7	176.6	-65.8	173.3	0	0	0	109.9	L122 Y123 I126 L228 A229 D234 H235 H236 W264	L122-I232 HydrophobicContact CD2-CG2 3.75Å; L122-I232 HydrophobicContact CG-CG2 3.84Å; Y123-I232 HydrophobicContact CD1-CB 4.11Å; Y123-I232 HydrophobicContact CD1-CD1 3.74Å; Y123-I232 HydrophobicContact CD1-CG2 3.88Å; Y123-I232 HydrophobicContact CE1-CB 4.13Å; Y123-I232 HydrophobicContact CE1-CG2 3.94Å; I126-I232 HydrophobicContact CB-CD1 3.61Å; I126-I232 HydrophobicContact CB-CG1 4.28Å; I126-I232 HydrophobicContact CG1-CD1 4.05Å; I126-I232 HydrophobicContact CG1-CG1 4.39Å; I126-I232 HydrophobicContact CG2-CD1 3.63Å; I126-I232 HydrophobicContact CG2-CG1 3.93Å; L228-I232 HydrophobicContact CD1-CD1 3.78Å; L228-I232 HydrophobicContact CD1-CG1 4.29Å; L228-I232 HydrophobicContact CD2-CD1 4.27Å; L228-I232 HydrophobicContact CG-CD1 3.68Å; L228-I232 HydrophobicContact CG-CG1 4.46Å; L228-I232 WeakPolarHBondContact O-CG1 3.5Å; L228-I232 PolarHBondContact O-N 3.03Å; L228-I232 VanDerWaalsContact O-N 3.09Å; A229-I232 PolarHBondContact O-N 3.41Å; I232-D234 PolarHBondContact O-N 2.86Å; I232-H235 PolarHBondContact O-N 3.26Å; I232-H236 WeakPolarHBondContact O-CB 3.19Å; I232-H236 PolarHBondContact O-CD2 3.09Å; I232-H236 VanDerWaalsContact O-CD2 3.28Å; I232-H236 PolarHBondContact O-N 3.2Å; I232-W264 HydrophobicContact CG1-CH2 4.43Å; I232-W264 HydrophobicContact CG1-CZ3 4.28Å
233	D	98.4	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.7	-40.1	-177.6	-64.6	-21.6	0	0	0	112.6	R73 Q116 R119 Y123 A229 N230 H235 M237	R73-D233 WeakPolarHBondContact CD-OD2 3.37Å; R73-D233 VanDerWaalsContact CZ-CB 3.5Å; R73-D233 IonicContact CZ-OD2 2.88Å; R73-D233 IonicContact NE-OD2 3.88Å; R73-D233 PolarHBondContact NE-OD2 3.2Å; Q116-D233 VanDerWaalsContact CG-OD2 3.27Å; Q116-D233 WeakPolarHBondContact CG-OD2 3.49Å; Q116-D233 PolarHBondContact NE2-OD2 3.49Å; R119-D233 WeakPolarHBondContact CD-OD1 3.21Å; R119-D233 IonicContact CZ-OD1 3.57Å; R119-D233 IonicContact NE-OD1 2.82Å; R119-D233 IonicContact NH1-OD1 3.42Å; R119-D233 PolarHBondContact NH1-OD1 3.49Å; Y123-D233 WeakPolarHBondContact CE1-OD1 3.47Å; Y123-D233 PolarHBondContact OH-OD1 3.02Å; Y123-D233 PolarHBondContact OH-OD2 2.75Å; A229-D233 VanDerWaalsContact O-CB 3.29Å; A229-D233 WeakPolarHBondContact O-CB 3.37Å; A229-D233 PolarHBondContact O-N 2.93Å; N230-D233 PolarHBondContact O-N 3.18Å; D233-H235 VanDerWaalsContact C-N 3.32Å; D233-H235 PolarHBondContact O-N 3.16Å; D233-M237 HydrophobicContact CB-SD 4.23Å; D233-M237 WeakPolarHBondContact O-CB 3.35Å; D233-M237 VanDerWaalsContact O-CG 3.3Å; D233-M237 WeakPolarHBondContact O-CG 3.46Å; D233-M237 PolarHBondContact O-N 3.47Å
234	D	98.5	Very high	97.7	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-54.4	-50.5	173.3	-95.8	-37.6	0	0	0	111.2	R39 N230 I232 E238 I239 V242 Y259	R39-D234 IonicContact CZ-OD1 2.77Å; R39-D234 IonicContact CZ-OD2 3.74Å; R39-D234 IonicContact NE-OD1 3.81Å; R39-D234 PolarHBondContact NE-OD1 3.11Å; R39-D234 VanDerWaalsContact NH1-CA 3.33Å; R39-D234 IonicContact NH1-OD1 3.33Å; R39-D234 PolarHBondContact NH1-OD1 3.41Å; R39-D234 IonicContact NH1-OD2 3.85Å; R39-D234 PolarHBondContact NH1-OD2 3.1Å; R39-D234 IonicContact NH2-OD1 3.54Å; R39-D234 PolarHBondContact NH2-OD1 3.48Å; R39-D234 IonicContact NH2-OD2 2.74Å; R39-D234 PolarHBondContact NH2-OD2 3.18Å; N230-D234 VanDerWaalsContact O-CB 3.29Å; N230-D234 WeakPolarHBondContact O-CB 3.22Å; N230-D234 PolarHBondContact O-N 2.96Å; I232-D234 PolarHBondContact O-N 2.86Å; D234-E238 PolarHBondContact O-N 3.23Å; D234-E238 VanDerWaalsContact O-N 3.1Å; D234-I239 HydrophobicContact CB-CB 4.36Å; D234-I239 PolarHBondContact O-N 2.91Å; D234-I239 WeakPolarHBondContact OD1-CB 3.37Å; D234-I239 WeakPolarHBondContact OD1-CG1 3.41Å; D234-I239 WeakPolarHBondContact OD1-CG2 3.35Å; D234-V242 WeakPolarHBondContact OD1-CG2 3.37Å; D234-Y259 WeakPolarHBondContact CB-OH 3.34Å; D234-Y259 PolarHBondContact OD2-OH 3.2Å
235	H	98.2	Very high	97.6	Very high	70 Å²	70	19.9 Å²	19.9	32%	0.324	10%	0.098	S	C	.	.	H	α-helix	trans	-65.4	-52	-176.9	-179.3	69.7	0	0	0	110.8	V231 I232 D233 M237 E238 Y259 W264	V231-H235 WeakPolarHBondContact O-CB 3.35Å; V231-H235 PolarHBondContact O-N 3.27Å; V231-H235 VanDerWaalsContact O-N 3.12Å; I232-H235 PolarHBondContact O-N 3.26Å; D233-H235 VanDerWaalsContact C-N 3.32Å; D233-H235 PolarHBondContact O-N 3.16Å; H235-M237 VanDerWaalsContact C-N 3.3Å; H235-M237 PolarHBondContact O-N 2.86Å; H235-E238 PolarHBondContact O-N 3.02Å; H235-E238 VanDerWaalsContact O-N 3.12Å; H235-Y259 HydrophobicContact CB-CE1 4.46Å; H235-W264 HydrophobicContact CB-CD2 4.11Å; H235-W264 HydrophobicContact CB-CE3 3.57Å; H235-W264 HydrophobicContact CB-CH2 4.46Å; H235-W264 HydrophobicContact CB-CZ3 3.76Å; H235-W264 AromaticContact CD2-CD2 3.49Å; H235-W264 VanDerWaalsContact CD2-CD2 3.49Å; H235-W264 AromaticContact CD2-CE2 3.39Å; H235-W264 AromaticContact CD2-CE3 3.74Å; H235-W264 AromaticContact CD2-CH2 3.81Å; H235-W264 AromaticContact CD2-CZ2 3.57Å; H235-W264 AromaticContact CD2-CZ3 3.88Å; H235-W264 AromaticContact CD2-NE1 3.88Å; H235-W264 AromaticContact CE1-CD1 3.63Å; H235-W264 AromaticContact CE1-CD2 3.87Å; H235-W264 AromaticContact CE1-CG 3.62Å; H235-W264 AromaticContact CE1-NE1 3.85Å; H235-W264 AromaticContact CG-CD2 3.5Å; H235-W264 AromaticContact CG-CE2 3.93Å; H235-W264 AromaticContact CG-CE3 3.5Å; H235-W264 VanDerWaalsContact CG-CE3 3.5Å; H235-W264 AromaticContact CG-CG 3.95Å; H235-W264 AromaticContact CG-CZ3 3.91Å; H235-W264 AromaticContact ND1-CD2 3.75Å; H235-W264 AromaticContact ND1-CG 3.66Å; H235-W264 AromaticContact NE2-CD1 3.71Å; H235-W264 AromaticContact NE2-CD2 3.73Å; H235-W264 AromaticContact NE2-CE2 3.47Å; H235-W264 AromaticContact NE2-CG 3.89Å; H235-W264 AromaticContact NE2-CZ2 3.98Å; H235-W264 AromaticContact NE2-NE1 3.43Å; H235-W264 PolarHBondContact NE2-NE1 2.9Å
236	H	97.8	Very high	97.5	Very high	69 Å²	69	21.9 Å²	21.9	32%	0.319	10%	0.104	S	C	.	.	H	α-helix	trans	-71.8	-20	-177	-80.1	-84.5	0	0	0	114.2	Y111 I232 W264	Y111-H236 WeakPolarHBondContact CD1-O 2.98Å; I232-H236 WeakPolarHBondContact O-CB 3.19Å; I232-H236 PolarHBondContact O-CD2 3.09Å; I232-H236 VanDerWaalsContact O-CD2 3.28Å; I232-H236 PolarHBondContact O-N 3.2Å; H236-W264 AromaticContact NE2-CH2 4Å
237	M	97.5	Very high	97.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	5.8	173.5	-65.2	167.4	161.7	0	0	112.3	R37 R73 S113 Y114 D233 H235 I239	R37-M237 PolarHBondContact NE-O 2.8Å; R37-M237 PolarHBondContact NH2-O 2.88Å; R73-M237 HydrophobicContact CG-CE 4.38Å; S113-M237 WeakPolarHBondContact O-CE 3.16Å; Y114-M237 HydrophobicContact CD1-CE 3.66Å; Y114-M237 HydrophobicContact CD1-SD 4.37Å; Y114-M237 HydrophobicContact CE1-CE 3.93Å; Y114-M237 HydrophobicContact CE1-SD 4.39Å; Y114-M237 HydrophobicContact CG-CE 4.17Å; D233-M237 HydrophobicContact CB-SD 4.23Å; D233-M237 WeakPolarHBondContact O-CB 3.35Å; D233-M237 VanDerWaalsContact O-CG 3.3Å; D233-M237 WeakPolarHBondContact O-CG 3.46Å; D233-M237 PolarHBondContact O-N 3.47Å; H235-M237 VanDerWaalsContact C-N 3.3Å; H235-M237 PolarHBondContact O-N 2.86Å; M237-I239 VanDerWaalsContact C-N 3.28Å; M237-I239 HydrophobicContact CB-CD1 3.66Å; M237-I239 WeakPolarHBondContact O-CD1 3.34Å; M237-I239 PolarHBondContact O-N 3.28Å
238	E	97.4	Very high	97.2	Very high	105 Å²	105	27.7 Å²	27.7	49%	0.491	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	39.3	178.5	-59.9	175.6	173	0	0	113.2	R37 Y111 D234 H235 S240	R37-E238 WeakPolarHBondContact CB-O 3.39Å; R37-E238 WeakPolarHBondContact CD-O 3.26Å; Y111-E238 HydrophobicContact CE1-CB 4.34Å; Y111-E238 HydrophobicContact CE1-CG 3.82Å; Y111-E238 PolarHBondContact OH-OE2 3.42Å; D234-E238 PolarHBondContact O-N 3.23Å; D234-E238 VanDerWaalsContact O-N 3.1Å; H235-E238 PolarHBondContact O-N 3.02Å; H235-E238 VanDerWaalsContact O-N 3.12Å; E238-S240 PolarHBondContact O-N 3.36Å
239	I	98.5	Very high	97.1	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.056	13%	0.133	C	C	.	.			trans	-64.3	127.6	175.5	-70.9	5.2	0	0	0	107.9	R39 I71 D234 M237 H241 V242 P267	R39-I239 HydrophobicContact CB-CG1 4.28Å; R39-I239 HydrophobicContact CG-CG1 4.03Å; I71-I239 HydrophobicContact CD1-CD1 3.47Å; I71-I239 VanDerWaalsContact CD1-CD1 3.47Å; D234-I239 HydrophobicContact CB-CB 4.36Å; D234-I239 PolarHBondContact O-N 2.91Å; D234-I239 WeakPolarHBondContact OD1-CB 3.37Å; D234-I239 WeakPolarHBondContact OD1-CG1 3.41Å; D234-I239 WeakPolarHBondContact OD1-CG2 3.35Å; M237-I239 VanDerWaalsContact C-N 3.28Å; M237-I239 HydrophobicContact CB-CD1 3.66Å; M237-I239 WeakPolarHBondContact O-CD1 3.34Å; M237-I239 PolarHBondContact O-N 3.28Å; I239-H241 VanDerWaalsContact CG2-O 3.3Å; I239-H241 WeakPolarHBondContact CG2-O 3.43Å; I239-V242 HydrophobicContact CG2-CG2 3.83Å; I239-P267 HydrophobicContact CG2-CB 4.32Å; I239-P267 WeakPolarHBondContact O-CB 3.41Å
240	S	98.3	Very high	96.8	Very high	16 Å²	16	32.7 Å²	32.7	11%	0.112	16%	0.159	C	C	.	.			trans	-97	-29.2	177.6	66.1	0	0	0	0	112.9	I36 R37 E238 P267 K268	I36-S240 WeakPolarHBondContact CA-OG 3.44Å; R37-S240 PolarHBondContact N-OG 3.47Å; R37-S240 PolarHBondContact O-N 3.2Å; R37-S240 PolarHBondContact O-OG 3.29Å; E238-S240 PolarHBondContact O-N 3.36Å; S240-P267 WeakPolarHBondContact O-CA 3.41Å; S240-P267 WeakPolarHBondContact O-CB 3.29Å; S240-K268 PolarHBondContact O-N 3.45Å
241	H	98.6	Very high	96.6	Very high	17 Å²	17	33.1 Å²	33.1	8%	0.079	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.5	175.9	-54.5	63.1	0	0	0	111.4	I36 R37 V38 F62 I239 I243 K268	I36-H241 WeakPolarHBondContact CD1-CE1 3.49Å; R37-H241 PolarHBondContact O-N 3.35Å; V38-H241 HydrophobicContact CG1-CB 3.8Å; F62-H241 HydrophobicContact CE1-CB 4.14Å; F62-H241 AromaticContact CE1-CD2 3.84Å; F62-H241 AromaticContact CE1-CG 3.68Å; F62-H241 AromaticContact CE1-ND1 3.8Å; F62-H241 AromaticContact CZ-CD2 3.69Å; F62-H241 AromaticContact CZ-NE2 3.78Å; I239-H241 VanDerWaalsContact CG2-O 3.3Å; I239-H241 WeakPolarHBondContact CG2-O 3.43Å; H241-I243 HydrophobicContact CB-CG1 4.47Å; H241-K268 CarbonylContact C-O 3.4Å; H241-K268 VanDerWaalsContact CA-O 3.28Å; H241-K268 WeakPolarHBondContact CA-O 3.42Å
242	V	98.6	Very high	96.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	101.9	172.8	175.9	0	0	0	0	108.2	D234 I239 R244 P267 K268 F269 A270	D234-V242 WeakPolarHBondContact OD1-CG2 3.37Å; I239-V242 HydrophobicContact CG2-CG2 3.83Å; V242-R244 HydrophobicContact CG1-CG 4.02Å; V242-P267 HydrophobicContact CG2-CB 4.02Å; V242-P267 HydrophobicContact CG2-CG 3.53Å; V242-K268 PolarHBondContact N-O 2.91Å; V242-F269 HydrophobicContact CB-CD1 3.75Å; V242-F269 HydrophobicContact CB-CE1 3.88Å; V242-F269 HydrophobicContact CG1-CD1 4Å; V242-F269 HydrophobicContact CG1-CE1 4.1Å; V242-F269 HydrophobicContact CG2-CD1 4.42Å; V242-F269 HydrophobicContact CG2-CE1 4.06Å; V242-A270 PolarHBondContact O-N 3.05Å
243	I	98.3	Very high	96.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.1	176.7	-53.3	160	0	0	0	108.1	V38 T55 F58 N59 F62 H241 A270 L272 L350	V38-I243 HydrophobicContact CG1-CD1 4.18Å; T55-I243 WeakPolarHBondContact CG2-O 3.45Å; F58-I243 HydrophobicContact CB-CG2 4.43Å; N59-I243 PolarHBondContact ND2-O 2.97Å; F62-I243 HydrophobicContact CB-CD1 3.8Å; F62-I243 HydrophobicContact CD1-CD1 3.89Å; F62-I243 HydrophobicContact CG-CD1 3.82Å; H241-I243 HydrophobicContact CB-CG1 4.47Å; I243-A270 WeakPolarHBondContact CA-O 3.33Å; I243-A270 HydrophobicContact CG1-CB 4.21Å; I243-L272 HydrophobicContact CG2-CD1 4.14Å; I243-L272 HydrophobicContact CG2-CD2 3.79Å; I243-L272 HydrophobicContact CG2-CG 4.02Å; I243-L350 HydrophobicContact CD1-CD1 4.05Å; I243-L350 HydrophobicContact CD1-CD2 4.06Å; I243-L350 HydrophobicContact CG1-CD1 4.16Å; I243-L350 HydrophobicContact CG1-CD2 4.25Å; I243-L350 HydrophobicContact CG2-CD2 4.24Å
244	R	97.2	Very high	96.1	Very high	18 Å²	18	34.5 Å²	34.5	7%	0.068	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	173.2	-172.1	65.6	179	178.4	-178.7	-1.5	112.8	Y226 V242 W248 T252 H255 A270 H271 L272	Y226-R244 PolarHBondContact OH-NH1 2.85Å; V242-R244 HydrophobicContact CG1-CG 4.02Å; R244-W248 HydrophobicContact CG-CB 4.39Å; R244-W248 PolarHBondContact NH2-O 2.98Å; R244-T252 PolarHBondContact NH2-OG1 3.33Å; R244-T252 VanDerWaalsContact NH2-OG1 3.14Å; R244-H255 PolarHBondContact NH1-CE1 3.36Å; R244-H255 VanDerWaalsContact NH1-CE1 3.26Å; R244-A270 PolarHBondContact N-O 2.98Å; R244-A270 VanDerWaalsContact N-O 3.1Å; R244-H271 PolarHBondContact NE-NE2 3.27Å; R244-H271 PolarHBondContact NH2-NE2 3.47Å; R244-H271 CarbonylContact O-C 3.53Å; R244-H271 VanDerWaalsContact O-CA 3.25Å; R244-H271 WeakPolarHBondContact O-CA 3.48Å; R244-L272 PolarHBondContact O-N 2.96Å
245	G	94.4	Very high	96	Very high	10 Å²	10	34.4 Å²	34.4	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	146.6	-179.6	0	0	0	0	0	115.1	E247 W248 H271	G245-E247 VanDerWaalsContact CA-OE2 3.29Å; G245-E247 WeakPolarHBondContact CA-OE2 3.3Å; G245-E247 PolarHBondContact O-N 2.85Å; G245-W248 PolarHBondContact O-N 3.44Å; G245-W248 VanDerWaalsContact O-N 3.14Å; G245-H271 PolarHBondContact O-CD2 2.83Å
246	F	93.8	Very high	95.9	Very high	72 Å²	72	32.6 Å²	32.6	32%	0.316	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-55.7	-26.2	-179.6	176	-99.5	0	0	0	115.1	Y201 W248 L249 L272 L274	Y201-F246 HydrophobicContact CD1-CD2 4.34Å; Y201-F246 AromaticContact CD1-CE2 3.95Å; Y201-F246 HydrophobicContact CD1-CE2 3.95Å; Y201-F246 HydrophobicContact CD2-CD2 4.05Å; Y201-F246 HydrophobicContact CD2-CE2 4.36Å; Y201-F246 AromaticContact CE1-CD2 3.77Å; Y201-F246 HydrophobicContact CE1-CD2 3.77Å; Y201-F246 AromaticContact CE1-CE2 3.57Å; Y201-F246 HydrophobicContact CE1-CE2 3.57Å; Y201-F246 AromaticContact CE2-CD2 3.43Å; Y201-F246 HydrophobicContact CE2-CD2 3.43Å; Y201-F246 VanDerWaalsContact CE2-CD2 3.43Å; Y201-F246 HydrophobicContact CE2-CE2 4.03Å; Y201-F246 HydrophobicContact CE2-CG 4.37Å; Y201-F246 HydrophobicContact CG-CD2 4.47Å; Y201-F246 HydrophobicContact CG-CE2 4.33Å; Y201-F246 AromaticContact CZ-CD2 3.27Å; Y201-F246 AromaticContact CZ-CE2 3.62Å; Y201-F246 WeakPolarHBondContact OH-CD2 3.42Å; F246-W248 PolarHBondContact O-N 3.17Å; F246-L249 HydrophobicContact CD2-CB 4.21Å; F246-L249 HydrophobicContact CD2-CD2 3.89Å; F246-L249 HydrophobicContact CE2-CB 4.34Å; F246-L249 HydrophobicContact CE2-CD2 3.38Å; F246-L249 HydrophobicContact CE2-CG 4.5Å; F246-L249 HydrophobicContact CZ-CD2 4.2Å; F246-L249 VanDerWaalsContact O-CB 3.31Å; F246-L249 WeakPolarHBondContact O-CB 3.46Å; F246-L249 PolarHBondContact O-N 3.01Å; F246-L272 VanDerWaalsContact CB-O 3.22Å; F246-L272 WeakPolarHBondContact CB-O 3.3Å; F246-L272 PolarHBondContact N-O 3.3Å; F246-L274 HydrophobicContact CB-CG 4.5Å; F246-L274 HydrophobicContact CD1-CG 4.5Å
247	E	91.4	Very high	95.8	Very high	102 Å²	102	29.6 Å²	29.6	48%	0.477	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-57.5	-20.3	176	68.3	-83.3	-166.1	0	0	113.5	G245 L274	G245-E247 VanDerWaalsContact CA-OE2 3.29Å; G245-E247 WeakPolarHBondContact CA-OE2 3.3Å; G245-E247 PolarHBondContact O-N 2.85Å; E247-L274 WeakPolarHBondContact OE2-CD2 3.1Å
248	W	94.6	Very high	95.8	Very high	82 Å²	82	29.6 Å²	29.6	31%	0.311	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-93.1	-3.6	178	-61.7	102.9	0	0	0	114.4	Y226 R244 G245 F246 T250 S251 T252	Y226-W248 HydrophobicContact CD1-CE3 4.09Å; Y226-W248 HydrophobicContact CD1-CH2 4.11Å; Y226-W248 AromaticContact CD1-CZ3 3.52Å; Y226-W248 HydrophobicContact CD1-CZ3 3.52Å; Y226-W248 HydrophobicContact CD2-CH2 4.06Å; Y226-W248 HydrophobicContact CD2-CZ3 4.28Å; Y226-W248 HydrophobicContact CE1-CD2 4.19Å; Y226-W248 AromaticContact CE1-CE3 3.41Å; Y226-W248 HydrophobicContact CE1-CE3 3.41Å; Y226-W248 VanDerWaalsContact CE1-CE3 3.41Å; Y226-W248 HydrophobicContact CE1-CH2 4.02Å; Y226-W248 AromaticContact CE1-CZ3 3.31Å; Y226-W248 HydrophobicContact CE1-CZ3 3.31Å; Y226-W248 HydrophobicContact CE2-CE3 4.44Å; Y226-W248 AromaticContact CE2-CH2 3.92Å; Y226-W248 HydrophobicContact CE2-CH2 3.92Å; Y226-W248 HydrophobicContact CE2-CZ2 4.19Å; Y226-W248 HydrophobicContact CE2-CZ3 4.08Å; Y226-W248 HydrophobicContact CG-CH2 4.16Å; Y226-W248 HydrophobicContact CG-CZ3 4.03Å; Y226-W248 AromaticContact CZ-CD2 3.95Å; Y226-W248 AromaticContact CZ-CE3 3.64Å; Y226-W248 AromaticContact CZ-CH2 3.93Å; Y226-W248 AromaticContact CZ-CZ3 3.63Å; R244-W248 HydrophobicContact CG-CB 4.39Å; R244-W248 PolarHBondContact NH2-O 2.98Å; G245-W248 PolarHBondContact O-N 3.44Å; G245-W248 VanDerWaalsContact O-N 3.14Å; F246-W248 PolarHBondContact O-N 3.17Å; W248-T250 VanDerWaalsContact C-N 3.31Å; W248-T250 PolarHBondContact O-N 2.93Å; W248-S251 WeakPolarHBondContact O-CB 3.44Å; W248-S251 PolarHBondContact O-N 2.78Å; W248-T252 PolarHBondContact O-N 3.08Å; W248-T252 PolarHBondContact O-OG1 3.01Å
249	L	94.4	Very high	95.8	Very high	16 Å²	16	24.7 Å²	24.7	8%	0.084	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-57.7	-45.6	-177	179.5	64.2	0	0	0	111.3	V196 D198 Y201 F246 S251 T252 H271	V196-L249 HydrophobicContact CG1-CD1 4.27Å; D198-L249 HydrophobicContact CB-CD1 4.32Å; Y201-L249 HydrophobicContact CG-CD2 4.46Å; F246-L249 HydrophobicContact CD2-CB 4.21Å; F246-L249 HydrophobicContact CD2-CD2 3.89Å; F246-L249 HydrophobicContact CE2-CB 4.34Å; F246-L249 HydrophobicContact CE2-CD2 3.38Å; F246-L249 HydrophobicContact CE2-CG 4.5Å; F246-L249 HydrophobicContact CZ-CD2 4.2Å; F246-L249 VanDerWaalsContact O-CB 3.31Å; F246-L249 WeakPolarHBondContact O-CB 3.46Å; F246-L249 PolarHBondContact O-N 3.01Å; L249-S251 PolarHBondContact O-N 3Å; L249-T252 WeakPolarHBondContact O-CB 3.28Å; L249-T252 PolarHBondContact O-N 3.06Å; L249-T252 PolarHBondContact O-OG1 2.99Å; L249-H271 WeakPolarHBondContact CD1-ND1 3.42Å
250	T	91.9	Very high	95.7	Very high	89 Å²	89	30 Å²	30	55%	0.546	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-66.3	-17.1	179	57.1	0	0	0	0	113.8	W248 P253	W248-T250 VanDerWaalsContact C-N 3.31Å; W248-T250 PolarHBondContact O-N 2.93Å; T250-P253 WeakPolarHBondContact O-CD 3.35Å
251	S	93.2	Very high	95.6	Very high	13 Å²	13	29.6 Å²	29.6	9%	0.091	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-86.4	-14.7	174.6	-64.7	0	0	0	0	113.1	W248 L249 P253 K254 H255	W248-S251 WeakPolarHBondContact O-CB 3.44Å; W248-S251 PolarHBondContact O-N 2.78Å; L249-S251 PolarHBondContact O-N 3Å; S251-P253 VanDerWaalsContact C-CD 3.46Å; S251-K254 WeakPolarHBondContact O-CB 3.18Å; S251-K254 PolarHBondContact O-N 3.12Å; S251-K254 VanDerWaalsContact O-N 3.15Å; S251-H255 PolarHBondContact O-CD2 3.29Å; S251-H255 PolarHBondContact O-N 2.96Å
252	T	96	Very high	95.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.4	-38.8	-178.4	-49.2	0	0	0	0	113.5	V196 R244 W248 L249 K254 H255 L256 F269 H271	V196-T252 HydrophobicContact CG1-CG2 3.71Å; V196-T252 HydrophobicContact CG2-CG2 4.22Å; R244-T252 PolarHBondContact NH2-OG1 3.33Å; R244-T252 VanDerWaalsContact NH2-OG1 3.14Å; W248-T252 PolarHBondContact O-N 3.08Å; W248-T252 PolarHBondContact O-OG1 3.01Å; L249-T252 WeakPolarHBondContact O-CB 3.28Å; L249-T252 PolarHBondContact O-N 3.06Å; L249-T252 PolarHBondContact O-OG1 2.99Å; T252-K254 VanDerWaalsContact C-N 3.3Å; T252-K254 PolarHBondContact O-N 3.01Å; T252-H255 WeakPolarHBondContact O-CB 3.49Å; T252-H255 PolarHBondContact O-N 3.45Å; T252-L256 HydrophobicContact CG2-CD1 4.37Å; T252-L256 HydrophobicContact CG2-CG 4.31Å; T252-L256 WeakPolarHBondContact O-CG 3.4Å; T252-L256 PolarHBondContact O-N 3.48Å; T252-F269 HydrophobicContact CG2-CD1 4.14Å; T252-F269 HydrophobicContact CG2-CD2 3.89Å; T252-F269 HydrophobicContact CG2-CE1 4.27Å; T252-F269 HydrophobicContact CG2-CE2 4.03Å; T252-F269 HydrophobicContact CG2-CG 3.95Å; T252-F269 HydrophobicContact CG2-CZ 4.22Å; T252-H271 PolarHBondContact OG1-CE1 3.19Å; T252-H271 VanDerWaalsContact OG1-CE1 3.26Å; T252-H271 PolarHBondContact OG1-NE2 3.14Å
253	P	94.7	Very high	95.5	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.039	18%	0.18	C	C	.	.	H	α-helix	trans	-55	-41.5	173.9	-26.4	34.8	0	0	0	113.4	I194 V196 F206 P208 T250 S251 H255 L256 M257	I194-P253 HydrophobicContact CB-CB 4.36Å; I194-P253 HydrophobicContact CG2-CB 4.23Å; V196-P253 HydrophobicContact CG2-CG 3.82Å; F206-P253 HydrophobicContact CB-CB 4.19Å; F206-P253 HydrophobicContact CB-CG 3.61Å; F206-P253 HydrophobicContact CD1-CG 4.04Å; F206-P253 HydrophobicContact CD2-CG 3.61Å; F206-P253 HydrophobicContact CE2-CG 4.27Å; F206-P253 HydrophobicContact CG-CG 3.47Å; F206-P253 VanDerWaalsContact CG-CG 3.47Å; P208-P253 HydrophobicContact CG-CB 4.1Å; T250-P253 WeakPolarHBondContact O-CD 3.35Å; S251-P253 VanDerWaalsContact C-CD 3.46Å; P253-H255 VanDerWaalsContact C-N 3.27Å; P253-H255 PolarHBondContact O-N 3.17Å; P253-L256 PolarHBondContact O-N 2.97Å; P253-M257 VanDerWaalsContact O-CG 3.25Å; P253-M257 WeakPolarHBondContact O-CG 3.33Å; P253-M257 PolarHBondContact O-N 3.31Å
254	K	94.1	Very high	95.5	Very high	22 Å²	22	37.9 Å²	37.9	10%	0.096	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-40.1	176.5	-63.9	176.9	179.3	166.7	0	111.7	E212 F215 H227 S251 T252 L258	E212-K254 WeakPolarHBondContact OE1-CE 3.34Å; E212-K254 IonicContact OE1-NZ 3.38Å; E212-K254 PolarHBondContact OE1-NZ 3.12Å; E212-K254 WeakPolarHBondContact OE2-CE 3.32Å; E212-K254 IonicContact OE2-NZ 3.94Å; E212-K254 PolarHBondContact OE2-NZ 3.32Å; F215-K254 HydrophobicContact CD1-CD 4.38Å; F215-K254 HydrophobicContact CD1-CG 4.22Å; F215-K254 HydrophobicContact CD2-CD 4.42Å; F215-K254 HydrophobicContact CE1-CB 4.2Å; F215-K254 HydrophobicContact CE1-CG 3.97Å; F215-K254 HydrophobicContact CE2-CB 4.32Å; F215-K254 HydrophobicContact CG-CD 4.34Å; F215-K254 HydrophobicContact CZ-CB 3.91Å; F215-K254 HydrophobicContact CZ-CG 4.14Å; H227-K254 WeakPolarHBondContact NE2-CD 3.49Å; S251-K254 WeakPolarHBondContact O-CB 3.18Å; S251-K254 PolarHBondContact O-N 3.12Å; S251-K254 VanDerWaalsContact O-N 3.15Å; T252-K254 VanDerWaalsContact C-N 3.3Å; T252-K254 PolarHBondContact O-N 3.01Å; K254-L258 WeakPolarHBondContact O-CG 3.37Å; K254-L258 PolarHBondContact O-N 3.03Å; K254-L258 VanDerWaalsContact O-N 3.14Å
255	H	96.7	Very high	95.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-45.8	179.8	-65.4	-158.5	0	0	0	110	Y226 H227 V231 R244 S251 T252 P253 M257 L258 Y259	Y226-H255 AromaticContact CE1-CE1 3.67Å; Y226-H255 AromaticContact CE1-NE2 3.58Å; H227-H255 AromaticContact CG-NE2 3.85Å; H227-H255 AromaticContact ND1-CD2 3.53Å; H227-H255 AromaticContact ND1-NE2 3.06Å; H227-H255 PolarHBondContact ND1-NE2 2.74Å; V231-H255 HydrophobicContact CG2-CB 3.73Å; R244-H255 PolarHBondContact NH1-CE1 3.36Å; R244-H255 VanDerWaalsContact NH1-CE1 3.26Å; S251-H255 PolarHBondContact O-CD2 3.29Å; S251-H255 PolarHBondContact O-N 2.96Å; T252-H255 WeakPolarHBondContact O-CB 3.49Å; T252-H255 PolarHBondContact O-N 3.45Å; P253-H255 VanDerWaalsContact C-N 3.27Å; P253-H255 PolarHBondContact O-N 3.17Å; H255-M257 VanDerWaalsContact C-N 3.32Å; H255-M257 PolarHBondContact O-N 3.35Å; H255-L258 WeakPolarHBondContact O-CB 3.26Å; H255-L258 PolarHBondContact O-N 2.87Å; H255-L258 VanDerWaalsContact O-N 3.14Å; H255-Y259 HydrophobicContact CB-CE2 4.47Å; H255-Y259 WeakPolarHBondContact O-CD2 3.44Å; H255-Y259 PolarHBondContact O-N 2.91Å
256	L	96.6	Very high	95.6	Very high	31 Å²	31	44.7 Å²	44.7	16%	0.162	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-37.4	177.5	-65.7	179.4	0	0	0	112.7	I194 E195 V196 T252 P253 Y259 K260 P266 F269	I194-L256 HydrophobicContact CG2-CB 3.97Å; I194-L256 HydrophobicContact CG2-CD1 3.74Å; I194-L256 HydrophobicContact CG2-CG 4.5Å; E195-L256 WeakPolarHBondContact O-CD1 3.46Å; V196-L256 HydrophobicContact CG2-CD1 3.87Å; T252-L256 HydrophobicContact CG2-CD1 4.37Å; T252-L256 HydrophobicContact CG2-CG 4.31Å; T252-L256 WeakPolarHBondContact O-CG 3.4Å; T252-L256 PolarHBondContact O-N 3.48Å; P253-L256 PolarHBondContact O-N 2.97Å; L256-Y259 PolarHBondContact O-N 3.2Å; L256-K260 WeakPolarHBondContact O-CB 3.37Å; L256-K260 PolarHBondContact O-N 2.84Å; L256-P266 HydrophobicContact CD2-CB 3.74Å; L256-P266 HydrophobicContact CD2-CG 3.94Å; L256-F269 HydrophobicContact CD2-CE2 3.94Å
257	M	95.2	Very high	95.8	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-40.7	173.6	-68.3	173.6	77.5	0	0	112.3	F187 T189 I194 P208 P253 H255 K260 A261	F187-M257 HydrophobicContact CD1-CE 4.37Å; F187-M257 HydrophobicContact CE1-CB 3.84Å; F187-M257 HydrophobicContact CE1-CE 3.72Å; F187-M257 HydrophobicContact CZ-CB 4.07Å; T189-M257 HydrophobicContact CG2-CE 3.56Å; T189-M257 HydrophobicContact CG2-SD 4.42Å; I194-M257 HydrophobicContact CD1-CG 4.02Å; I194-M257 HydrophobicContact CG1-CG 3.98Å; P208-M257 HydrophobicContact CB-CE 4.41Å; P208-M257 HydrophobicContact CB-SD 3.61Å; P208-M257 HydrophobicContact CG-SD 3.61Å; P253-M257 VanDerWaalsContact O-CG 3.25Å; P253-M257 WeakPolarHBondContact O-CG 3.33Å; P253-M257 PolarHBondContact O-N 3.31Å; H255-M257 VanDerWaalsContact C-N 3.32Å; H255-M257 PolarHBondContact O-N 3.35Å; M257-K260 PolarHBondContact O-N 3.25Å; M257-A261 WeakPolarHBondContact O-CB 3.39Å; M257-A261 PolarHBondContact O-N 3.41Å
258	L	97.1	Very high	96.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-44.2	175.2	-71.5	164.7	0	0	0	111.7	L130 F187 F215 I217 H227 L228 V231 K254 H255 K260 A261 L262	L130-L258 HydrophobicContact CD1-CD2 4.2Å; F187-L258 HydrophobicContact CD2-CD2 3.47Å; F187-L258 VanDerWaalsContact CD2-CD2 3.47Å; F187-L258 HydrophobicContact CD2-CG 4.43Å; F187-L258 HydrophobicContact CE2-CD2 3.69Å; F187-L258 HydrophobicContact CE2-CG 4.42Å; F187-L258 HydrophobicContact CG-CD2 4.2Å; F215-L258 HydrophobicContact CE2-CD1 4.36Å; F215-L258 HydrophobicContact CZ-CD1 4.5Å; F215-L258 HydrophobicContact CZ-CG 4.4Å; I217-L258 HydrophobicContact CG2-CD2 4.17Å; H227-L258 HydrophobicContact CB-CD1 4.19Å; L228-L258 HydrophobicContact CD1-CD2 4.2Å; V231-L258 HydrophobicContact CB-CB 4.36Å; V231-L258 HydrophobicContact CB-CD1 4.49Å; V231-L258 HydrophobicContact CG1-CB 3.98Å; V231-L258 HydrophobicContact CG2-CB 4.06Å; V231-L258 HydrophobicContact CG2-CD1 4.01Å; K254-L258 WeakPolarHBondContact O-CG 3.37Å; K254-L258 PolarHBondContact O-N 3.03Å; K254-L258 VanDerWaalsContact O-N 3.14Å; H255-L258 WeakPolarHBondContact O-CB 3.26Å; H255-L258 PolarHBondContact O-N 2.87Å; H255-L258 VanDerWaalsContact O-N 3.14Å; L258-K260 VanDerWaalsContact C-N 3.33Å; L258-K260 PolarHBondContact O-N 3.42Å; L258-A261 PolarHBondContact O-N 3.25Å; L258-L262 WeakPolarHBondContact O-CB 3.45Å; L258-L262 WeakPolarHBondContact O-CG 3.33Å; L258-L262 PolarHBondContact O-N 2.89Å
259	Y	97.8	Very high	96.3	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-57.1	-46.5	173	-80.5	-68.9	0	0	0	111.8	V231 D234 H235 H255 L256 L262 N263 W264 P266 P267 F269	V231-Y259 HydrophobicContact CB-CE2 4.38Å; V231-Y259 HydrophobicContact CG1-CD1 4.05Å; V231-Y259 HydrophobicContact CG1-CD2 4.16Å; V231-Y259 HydrophobicContact CG1-CE1 3.91Å; V231-Y259 HydrophobicContact CG1-CE2 4.03Å; V231-Y259 HydrophobicContact CG1-CG 4.15Å; V231-Y259 HydrophobicContact CG2-CD2 4.27Å; V231-Y259 HydrophobicContact CG2-CE2 3.9Å; D234-Y259 WeakPolarHBondContact CB-OH 3.34Å; D234-Y259 PolarHBondContact OD2-OH 3.2Å; H235-Y259 HydrophobicContact CB-CE1 4.46Å; H255-Y259 HydrophobicContact CB-CE2 4.47Å; H255-Y259 WeakPolarHBondContact O-CD2 3.44Å; H255-Y259 PolarHBondContact O-N 2.91Å; L256-Y259 PolarHBondContact O-N 3.2Å; Y259-L262 PolarHBondContact O-N 3.38Å; Y259-N263 PolarHBondContact O-N 2.97Å; Y259-W264 HydrophobicContact CD1-CB 3.75Å; Y259-W264 HydrophobicContact CE1-CB 4.46Å; Y259-W264 PolarHBondContact O-N 3.41Å; Y259-P266 HydrophobicContact CD1-CB 4.28Å; Y259-P266 HydrophobicContact CD2-CB 3.65Å; Y259-P266 HydrophobicContact CE2-CB 3.99Å; Y259-P266 HydrophobicContact CG-CB 3.83Å; Y259-P267 VanDerWaalsContact CZ-CD 3.4Å; Y259-P267 WeakPolarHBondContact OH-CD 3.12Å; Y259-F269 HydrophobicContact CE2-CZ 4.42Å
260	K	96.1	Very high	96.5	Very high	123 Å²	123	39 Å²	39	54%	0.535	21%	0.21	S	C	.	.	H	α-helix	trans	-60.7	-46.6	177.5	-178.4	-176.8	176.2	-167.8	0	111.8	D190 L256 M257 L258 L262 N263	D190-K260 IonicContact OD2-NZ 3.64Å; D190-K260 PolarHBondContact OD2-NZ 3.24Å; L256-K260 WeakPolarHBondContact O-CB 3.37Å; L256-K260 PolarHBondContact O-N 2.84Å; M257-K260 PolarHBondContact O-N 3.25Å; L258-K260 VanDerWaalsContact C-N 3.33Å; L258-K260 PolarHBondContact O-N 3.42Å; K260-L262 VanDerWaalsContact C-N 3.33Å; K260-L262 PolarHBondContact O-N 2.82Å; K260-N263 PolarHBondContact O-N 2.9Å
261	A	96.7	Very high	96.7	Very high	6 Å²	6	34.8 Å²	34.8	5%	0.05	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-38.3	178.6	0	0	0	0	0	112.5	L130 F135 F187 M257 L258 N263	L130-A261 HydrophobicContact CD2-CB 3.86Å; F135-A261 HydrophobicContact CB-CB 4Å; F135-A261 HydrophobicContact CD1-CB 3.78Å; F135-A261 HydrophobicContact CD2-CB 3.97Å; F135-A261 HydrophobicContact CE1-CB 4.22Å; F135-A261 HydrophobicContact CE2-CB 4.38Å; F135-A261 VanDerWaalsContact CE2-O 3.26Å; F135-A261 WeakPolarHBondContact CE2-O 3.46Å; F135-A261 HydrophobicContact CG-CB 3.65Å; F187-A261 HydrophobicContact CE2-CB 3.67Å; F187-A261 HydrophobicContact CZ-CB 3.84Å; M257-A261 WeakPolarHBondContact O-CB 3.39Å; M257-A261 PolarHBondContact O-N 3.41Å; L258-A261 PolarHBondContact O-N 3.25Å; A261-N263 PolarHBondContact O-N 3.13Å
262	L	97.7	Very high	96.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.2	178.8	-66.6	165.7	0	0	0	113.5	I126 L130 V231 L258 Y259 K260 W264	I126-L262 HydrophobicContact CG2-CD1 3.99Å; I126-L262 HydrophobicContact CG2-CD2 3.68Å; L130-L262 HydrophobicContact CD1-CD2 4.38Å; L130-L262 HydrophobicContact CD2-CD2 3.63Å; L130-L262 HydrophobicContact CD2-CG 3.92Å; L130-L262 HydrophobicContact CG-CD2 3.83Å; L130-L262 HydrophobicContact CG-CG 4.45Å; V231-L262 HydrophobicContact CG1-CD1 4.35Å; L258-L262 WeakPolarHBondContact O-CB 3.45Å; L258-L262 WeakPolarHBondContact O-CG 3.33Å; L258-L262 PolarHBondContact O-N 2.89Å; Y259-L262 PolarHBondContact O-N 3.38Å; K260-L262 VanDerWaalsContact C-N 3.33Å; K260-L262 PolarHBondContact O-N 2.82Å; L262-W264 VanDerWaalsContact C-N 3.29Å; L262-W264 HydrophobicContact CB-CB 4.48Å; L262-W264 HydrophobicContact CB-CD2 3.6Å; L262-W264 HydrophobicContact CB-CE3 3.84Å; L262-W264 HydrophobicContact CB-CG 3.9Å; L262-W264 HydrophobicContact CB-CZ2 4.39Å; L262-W264 HydrophobicContact CB-CZ3 4.35Å; L262-W264 HydrophobicContact CD1-CD2 4.22Å; L262-W264 HydrophobicContact CD1-CE3 3.6Å; L262-W264 HydrophobicContact CD1-CH2 3.86Å; L262-W264 HydrophobicContact CD1-CZ2 4.43Å; L262-W264 HydrophobicContact CD1-CZ3 3.4Å; L262-W264 VanDerWaalsContact CD1-CZ3 3.4Å; L262-W264 HydrophobicContact CG-CD2 4.47Å; L262-W264 HydrophobicContact CG-CE3 4.31Å; L262-W264 HydrophobicContact CG-CZ3 4.38Å; L262-W264 PolarHBondContact O-N 3.09Å; L262-W264 PolarHBondContact O-NE1 3.44Å
263	N	97.5	Very high	96.7	Very high	154 Å²	154	34.5 Å²	34.5	82%	0.824	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	44.8	-172.3	-167.5	40	0	0	0	112.6	Y259 K260 A261	Y259-N263 PolarHBondContact O-N 2.97Å; K260-N263 PolarHBondContact O-N 2.9Å; A261-N263 PolarHBondContact O-N 3.13Å
264	W	97.9	Very high	96.4	Very high	38 Å²	38	37.2 Å²	37.2	14%	0.144	20%	0.196	C	C	.	.			trans	-111.4	146.3	-179.9	-69.2	-12.6	0	0	0	111.1	I126 V231 I232 H235 H236 Y259 L262	I126-W264 HydrophobicContact CD1-CH2 3.99Å; I126-W264 HydrophobicContact CD1-CZ2 4.08Å; I126-W264 HydrophobicContact CG1-CH2 4.4Å; I126-W264 HydrophobicContact CG2-CH2 4.34Å; V231-W264 HydrophobicContact CG1-CE3 4.33Å; V231-W264 HydrophobicContact CG1-CZ3 4.41Å; I232-W264 HydrophobicContact CG1-CH2 4.43Å; I232-W264 HydrophobicContact CG1-CZ3 4.28Å; H235-W264 HydrophobicContact CB-CD2 4.11Å; H235-W264 HydrophobicContact CB-CE3 3.57Å; H235-W264 HydrophobicContact CB-CH2 4.46Å; H235-W264 HydrophobicContact CB-CZ3 3.76Å; H235-W264 AromaticContact CD2-CD2 3.49Å; H235-W264 VanDerWaalsContact CD2-CD2 3.49Å; H235-W264 AromaticContact CD2-CE2 3.39Å; H235-W264 AromaticContact CD2-CE3 3.74Å; H235-W264 AromaticContact CD2-CH2 3.81Å; H235-W264 AromaticContact CD2-CZ2 3.57Å; H235-W264 AromaticContact CD2-CZ3 3.88Å; H235-W264 AromaticContact CD2-NE1 3.88Å; H235-W264 AromaticContact CE1-CD1 3.63Å; H235-W264 AromaticContact CE1-CD2 3.87Å; H235-W264 AromaticContact CE1-CG 3.62Å; H235-W264 AromaticContact CE1-NE1 3.85Å; H235-W264 AromaticContact CG-CD2 3.5Å; H235-W264 AromaticContact CG-CE2 3.93Å; H235-W264 AromaticContact CG-CE3 3.5Å; H235-W264 VanDerWaalsContact CG-CE3 3.5Å; H235-W264 AromaticContact CG-CG 3.95Å; H235-W264 AromaticContact CG-CZ3 3.91Å; H235-W264 AromaticContact ND1-CD2 3.75Å; H235-W264 AromaticContact ND1-CG 3.66Å; H235-W264 AromaticContact NE2-CD1 3.71Å; H235-W264 AromaticContact NE2-CD2 3.73Å; H235-W264 AromaticContact NE2-CE2 3.47Å; H235-W264 AromaticContact NE2-CG 3.89Å; H235-W264 AromaticContact NE2-CZ2 3.98Å; H235-W264 AromaticContact NE2-NE1 3.43Å; H235-W264 PolarHBondContact NE2-NE1 2.9Å; H236-W264 AromaticContact NE2-CH2 4Å; Y259-W264 HydrophobicContact CD1-CB 3.75Å; Y259-W264 HydrophobicContact CE1-CB 4.46Å; Y259-W264 PolarHBondContact O-N 3.41Å; L262-W264 VanDerWaalsContact C-N 3.29Å; L262-W264 HydrophobicContact CB-CB 4.48Å; L262-W264 HydrophobicContact CB-CD2 3.6Å; L262-W264 HydrophobicContact CB-CE3 3.84Å; L262-W264 HydrophobicContact CB-CG 3.9Å; L262-W264 HydrophobicContact CB-CZ2 4.39Å; L262-W264 HydrophobicContact CB-CZ3 4.35Å; L262-W264 HydrophobicContact CD1-CD2 4.22Å; L262-W264 HydrophobicContact CD1-CE3 3.6Å; L262-W264 HydrophobicContact CD1-CH2 3.86Å; L262-W264 HydrophobicContact CD1-CZ2 4.43Å; L262-W264 HydrophobicContact CD1-CZ3 3.4Å; L262-W264 VanDerWaalsContact CD1-CZ3 3.4Å; L262-W264 HydrophobicContact CG-CD2 4.47Å; L262-W264 HydrophobicContact CG-CE3 4.31Å; L262-W264 HydrophobicContact CG-CZ3 4.38Å; L262-W264 PolarHBondContact O-N 3.09Å; L262-W264 PolarHBondContact O-NE1 3.44Å
265	S	96.8	Very high	96	Very high	107 Å²	107	37.4 Å²	37.4	75%	0.748	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-77	126.3	173.2	-64.9	0	0	0	0	110.1
266	P	97.8	Very high	95.4	Very high	65 Å²	65	38.6 Å²	38.6	42%	0.422	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-74.3	153.4	176.9	30.7	-34.8	0	0	0	111.8	L256 Y259 F269	L256-P266 HydrophobicContact CD2-CB 3.74Å; L256-P266 HydrophobicContact CD2-CG 3.94Å; Y259-P266 HydrophobicContact CD1-CB 4.28Å; Y259-P266 HydrophobicContact CD2-CB 3.65Å; Y259-P266 HydrophobicContact CE2-CB 3.99Å; Y259-P266 HydrophobicContact CG-CB 3.83Å; P266-F269 HydrophobicContact CB-CE2 4.32Å
267	P	98.1	Very high	94.6	Very high	13 Å²	13	37.2 Å²	37.2	8%	0.084	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-67.2	167.5	166.9	30.3	-34.6	0	0	0	110.8	I239 S240 V242 Y259 F269	I239-P267 HydrophobicContact CG2-CB 4.32Å; I239-P267 WeakPolarHBondContact O-CB 3.41Å; S240-P267 WeakPolarHBondContact O-CA 3.41Å; S240-P267 WeakPolarHBondContact O-CB 3.29Å; V242-P267 HydrophobicContact CG2-CB 4.02Å; V242-P267 HydrophobicContact CG2-CG 3.53Å; Y259-P267 VanDerWaalsContact CZ-CD 3.4Å; Y259-P267 WeakPolarHBondContact OH-CD 3.12Å; P267-F269 HydrophobicContact CG-CE1 4.28Å; P267-F269 HydrophobicContact CG-CE2 4.25Å; P267-F269 HydrophobicContact CG-CZ 3.86Å; P267-F269 WeakPolarHBondContact O-CD2 3.28Å; P267-F269 VanDerWaalsContact O-CE2 3.27Å; P267-F269 WeakPolarHBondContact O-CE2 3.5Å
268	K	98.2	Very high	93.6	Very high	132 Å²	132	40 Å²	40	57%	0.574	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	140	166.8	-64.6	-178.2	-176.4	173.8	0	110	I199 S240 H241 V242	I199-K268 HydrophobicContact CD1-CB 4.08Å; S240-K268 PolarHBondContact O-N 3.45Å; H241-K268 CarbonylContact C-O 3.4Å; H241-K268 VanDerWaalsContact CA-O 3.28Å; H241-K268 WeakPolarHBondContact CA-O 3.42Å; V242-K268 PolarHBondContact N-O 2.91Å
269	F	98.2	Very high	92.5	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.3	-179.9	-65.9	-84.8	0	0	0	111	I199 V242 T252 L256 Y259 P266 P267	I199-F269 WeakPolarHBondContact CG1-O 3.41Å; I199-F269 PolarHBondContact N-O 3.32Å; V242-F269 HydrophobicContact CB-CD1 3.75Å; V242-F269 HydrophobicContact CB-CE1 3.88Å; V242-F269 HydrophobicContact CG1-CD1 4Å; V242-F269 HydrophobicContact CG1-CE1 4.1Å; V242-F269 HydrophobicContact CG2-CD1 4.42Å; V242-F269 HydrophobicContact CG2-CE1 4.06Å; T252-F269 HydrophobicContact CG2-CD1 4.14Å; T252-F269 HydrophobicContact CG2-CD2 3.89Å; T252-F269 HydrophobicContact CG2-CE1 4.27Å; T252-F269 HydrophobicContact CG2-CE2 4.03Å; T252-F269 HydrophobicContact CG2-CG 3.95Å; T252-F269 HydrophobicContact CG2-CZ 4.22Å; L256-F269 HydrophobicContact CD2-CE2 3.94Å; Y259-F269 HydrophobicContact CE2-CZ 4.42Å; P266-F269 HydrophobicContact CB-CE2 4.32Å; P267-F269 HydrophobicContact CG-CE1 4.28Å; P267-F269 HydrophobicContact CG-CE2 4.25Å; P267-F269 HydrophobicContact CG-CZ 3.86Å; P267-F269 WeakPolarHBondContact O-CD2 3.28Å; P267-F269 VanDerWaalsContact O-CE2 3.27Å; P267-F269 WeakPolarHBondContact O-CE2 3.5Å
270	A	97.9	Very high	91.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	118.3	169.1	0	0	0	0	0	108.6	D198 I199 V200 V242 I243 R244 L350	D198-A270 WeakPolarHBondContact OD2-CA 3.41Å; I199-A270 HydrophobicContact CB-CB 4.05Å; I199-A270 HydrophobicContact CD1-CB 4.29Å; V200-A270 HydrophobicContact CG2-CB 4.26Å; V242-A270 PolarHBondContact O-N 3.05Å; I243-A270 WeakPolarHBondContact CA-O 3.33Å; I243-A270 HydrophobicContact CG1-CB 4.21Å; R244-A270 PolarHBondContact N-O 2.98Å; R244-A270 VanDerWaalsContact N-O 3.1Å; A270-L350 HydrophobicContact CB-CD1 4.14Å; A270-L350 HydrophobicContact CB-CD2 4.45Å
271	H	97.2	Very high	90.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130	179.1	-68.8	85.7	0	0	0	111.1	D198 Y201 R244 G245 L249 T252	D198-H271 PolarHBondContact OD1-N 3.34Å; D198-H271 IonicContact OD2-CE1 3.06Å; D198-H271 IonicContact OD2-CG 3.21Å; D198-H271 PolarHBondContact OD2-N 3.28Å; D198-H271 IonicContact OD2-ND1 2.75Å; D198-H271 PolarHBondContact OD2-ND1 3.3Å; Y201-H271 HydrophobicContact CD2-CB 4.07Å; Y201-H271 HydrophobicContact CE2-CB 4.05Å; Y201-H271 VanDerWaalsContact CE2-O 3.24Å; Y201-H271 WeakPolarHBondContact CE2-O 3.5Å; R244-H271 PolarHBondContact NE-NE2 3.27Å; R244-H271 PolarHBondContact NH2-NE2 3.47Å; R244-H271 CarbonylContact O-C 3.53Å; R244-H271 VanDerWaalsContact O-CA 3.25Å; R244-H271 WeakPolarHBondContact O-CA 3.48Å; G245-H271 PolarHBondContact O-CD2 2.83Å; L249-H271 WeakPolarHBondContact CD1-ND1 3.42Å; T252-H271 PolarHBondContact OG1-CE1 3.19Å; T252-H271 VanDerWaalsContact OG1-CE1 3.26Å; T252-H271 PolarHBondContact OG1-NE2 3.14Å
272	L	95.2	Very high	89.1	Confident	4 Å²	4	50 Å²	50	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.8	-179.3	-56	-176.1	0	0	0	110.1	T55 F58 I243 R244 F246 I353	T55-L272 HydrophobicContact CG2-CD1 4.4Å; F58-L272 HydrophobicContact CB-CD1 4.17Å; F58-L272 HydrophobicContact CD2-CD1 4.05Å; F58-L272 HydrophobicContact CD2-CD2 3.52Å; F58-L272 HydrophobicContact CD2-CG 4.43Å; F58-L272 HydrophobicContact CE2-CD2 4.15Å; F58-L272 HydrophobicContact CG-CD1 4.29Å; F58-L272 HydrophobicContact CG-CD2 4.43Å; I243-L272 HydrophobicContact CG2-CD1 4.14Å; I243-L272 HydrophobicContact CG2-CD2 3.79Å; I243-L272 HydrophobicContact CG2-CG 4.02Å; R244-L272 PolarHBondContact O-N 2.96Å; F246-L272 VanDerWaalsContact CB-O 3.22Å; F246-L272 WeakPolarHBondContact CB-O 3.3Å; F246-L272 PolarHBondContact N-O 3.3Å; L272-I353 HydrophobicContact CD2-CD1 3.62Å
273	P	92.4	Very high	87.8	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.019	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-60.7	150.7	177.5	28.2	-37	0	0	0	111.1	R54 Y201 I353 N354 H356	R54-P273 PolarHBondContact NH1-O 3.46Å; Y201-P273 WeakPolarHBondContact OH-CA 3.31Å; P273-I353 VanDerWaalsContact CD-CG2 3.49Å; P273-I353 HydrophobicContact CG-CG2 4.15Å; P273-N354 VanDerWaalsContact CG-O 3.31Å; P273-N354 WeakPolarHBondContact CG-O 3.34Å; P273-H356 WeakPolarHBondContact CB-O 3.45Å
274	L	89.1	Confident	86.3	Confident	63 Å²	63	46.5 Å²	46.5	33%	0.33	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-64.6	140.4	180	-62.7	173.3	0	0	0	110.6	F246 E247 A358	F246-L274 HydrophobicContact CB-CG 4.5Å; F246-L274 HydrophobicContact CD1-CG 4.5Å; E247-L274 WeakPolarHBondContact OE2-CD2 3.1Å; L274-A358 PolarHBondContact O-N 3.45Å
275	L	86.5	Confident	84.7	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.136	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.1	167.2	-68.6	179.6	0	0	0	109.3	L50 R54 L313 A358 L360	L50-L275 HydrophobicContact CD2-CD1 4.48Å; L50-L275 HydrophobicContact CG-CD1 4.23Å; R54-L275 HydrophobicContact CB-CD1 4.2Å; L275-L313 HydrophobicContact CD1-CD2 4.26Å; L275-A358 WeakPolarHBondContact CA-O 3.42Å; L275-A358 HydrophobicContact CD2-CB 4.05Å; L275-L360 HydrophobicContact CB-CD1 4.32Å; L275-L360 HydrophobicContact CB-CG 4.43Å; L275-L360 HydrophobicContact CD1-CD2 4.25Å; L275-L360 HydrophobicContact CD2-CD2 3.91Å; L275-L360 HydrophobicContact CD2-CG 4.44Å; L275-L360 HydrophobicContact CG-CD2 4.49Å
276	L	84.1	Confident	83.2	Confident	25 Å²	25	59.2 Å²	59.2	13%	0.131	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	149.8	174.7	-58.4	178	0	0	0	110.1	G280 N357 A358 L360	L276-G280 WeakPolarHBondContact CD1-O 3.25Å; L276-N357 HydrophobicContact CD1-CB 3.4Å; L276-N357 VanDerWaalsContact CD1-CB 3.4Å; L276-N357 HydrophobicContact CG-CB 3.81Å; L276-A358 PolarHBondContact N-O 2.67Å; L276-L360 WeakPolarHBondContact O-CB 3.48Å; L276-L360 WeakPolarHBondContact O-CG 3.22Å; L276-L360 PolarHBondContact O-N 2.96Å
277	S	80.1	Confident	81.7	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.021	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-60.1	170.4	168.9	65.4	0	0	0	0	111.4	S279 G280 G281 E289	S277-S279 PolarHBondContact O-N 3.16Å; S277-S279 PolarHBondContact OG-OG 3.45Å; S277-G280 PolarHBondContact O-N 3.17Å; S277-G281 WeakPolarHBondContact CB-O 3.24Å; S277-G281 PolarHBondContact N-O 3.37Å; S277-G281 PolarHBondContact OG-N 3.47Å; S277-G281 PolarHBondContact OG-O 2.87Å; S277-E289 WeakPolarHBondContact CB-OE2 3.46Å
278	S	74.1	Confident	80.3	Confident	65 Å²	65	61.8 Å²	61.8	46%	0.455	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.6	178.3	85.3	0	0	0	0	111.3	G280 E289	S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact O-N 2.91Å; S278-E289 PolarHBondContact N-OE2 3.12Å; S278-E289 VanDerWaalsContact N-OE2 3.09Å; S278-E289 VanDerWaalsContact OG-CD 3.28Å; S278-E289 PolarHBondContact OG-OE1 3.39Å; S278-E289 PolarHBondContact OG-OE2 2.74Å
279	S	74.2	Confident	79.2	Confident	98 Å²	98	57.4 Å²	57.4	69%	0.685	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.1	175.4	71.5	0	0	0	0	115.5	S277 G281	S277-S279 PolarHBondContact O-N 3.16Å; S277-S279 PolarHBondContact OG-OG 3.45Å; S279-G281 PolarHBondContact O-N 2.52Å
280	G	72	Confident	78.1	Confident	28 Å²	28	59.2 Å²	59.2	29%	0.289	32%	0.317	S	S	.	.	S	Bend	trans	80.6	-8.1	-175.5	0	0	0	0	0	115	L276 S277 S278	L276-G280 WeakPolarHBondContact CD1-O 3.25Å; S277-G280 PolarHBondContact O-N 3.17Å; S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact O-N 2.91Å
281	G	73.4	Confident	77	Confident	33 Å²	33	63 Å²	63	34%	0.34	34%	0.344	S	S	.	.	S	Bend	trans	-76	170.2	170.6	0	0	0	0	0	113	S277 S279 L283	S277-G281 WeakPolarHBondContact CB-O 3.24Å; S277-G281 PolarHBondContact N-O 3.37Å; S277-G281 PolarHBondContact OG-N 3.47Å; S277-G281 PolarHBondContact OG-O 2.87Å; S279-G281 PolarHBondContact O-N 2.52Å; G281-L283 PolarHBondContact O-N 3.44Å
282	K	72.6	Confident	76	Confident	183 Å²	183	68.1 Å²	68.1	80%	0.796	37%	0.371	S	S	*	.			trans	-65.3	132.4	167.8	-171.6	174.5	-175.5	173.1	0	109.4	S284	K282-S284 PolarHBondContact O-N 3.24Å
283	L	70.3	Confident	75.4	Confident	28 Å²	28	68 Å²	68	15%	0.147	37%	0.37	C	S	.	.			trans	-56.4	104.8	168.8	-83.8	173.1	0	0	0	108.9	G281 E289 F290 L360	G281-L283 PolarHBondContact O-N 3.44Å; L283-E289 HydrophobicContact CD2-CB 4.16Å; L283-F290 HydrophobicContact CB-CD2 4.28Å; L283-L360 HydrophobicContact CD1-CD1 3.37Å; L283-L360 HydrophobicContact CG-CD1 4.3Å
284	S	66.3	Low	75	Confident	55 Å²	55	68 Å²	68	39%	0.385	37%	0.37	S	S	.	.			trans	-110.1	147.7	-176	79.7	0	0	0	0	109.9	K282 R286 S287 F290	K282-S284 PolarHBondContact O-N 3.24Å; S284-R286 PolarHBondContact O-N 2.93Å; S284-S287 PolarHBondContact O-N 3.4Å; S284-S287 PolarHBondContact O-OG 3.38Å; S284-F290 WeakPolarHBondContact O-CB 3.49Å; S284-F290 WeakPolarHBondContact O-CG 3.21Å
285	K	65.5	Low	75.1	Confident	172 Å²	172	65.4 Å²	65.4	75%	0.748	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-16	178	-69.3	-177	176.9	-175.2	0	114.8	F290	K285-F290 HydrophobicContact CB-CD1 4.35Å; K285-F290 HydrophobicContact CB-CE1 4.3Å; K285-F290 HydrophobicContact CG-CD1 4.22Å; K285-F290 HydrophobicContact CG-CE1 3.7Å; K285-F290 HydrophobicContact CG-CE2 4.31Å; K285-F290 HydrophobicContact CG-CZ 3.76Å
286	R	63.3	Low	75.5	Confident	241 Å²	241	64.1 Å²	64.1	91%	0.909	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-16.3	178.9	-62.3	-177.2	-178.2	-179.8	-0.4	113.6	S284	S284-R286 PolarHBondContact O-N 2.93Å
287	S	66.5	Low	76	Confident	26 Å²	26	66.5 Å²	66.5	18%	0.182	36%	0.361	C	S	.	.	S	Bend	trans	-77.6	135.6	178.7	61.9	0	0	0	0	110.3	S284 E289 F290	S284-S287 PolarHBondContact O-N 3.4Å; S284-S287 PolarHBondContact O-OG 3.38Å; S287-E289 PolarHBondContact O-N 2.92Å; S287-F290 WeakPolarHBondContact O-CB 3.43Å; S287-F290 PolarHBondContact O-N 2.67Å; S287-F290 WeakPolarHBondContact OG-CB 3.43Å; S287-F290 PolarHBondContact OG-N 3.3Å
288	P	69.5	Low	76.6	Confident	106 Å²	106	67.5 Å²	67.5	69%	0.688	37%	0.368	S	S	*	.	H	α-helix	trans	-53.7	-36.7	172.6	-26.8	34.7	0	0	0	112.5	F290 S291 L292	P288-F290 VanDerWaalsContact C-N 3.27Å; P288-F290 PolarHBondContact O-N 3.42Å; P288-S291 PolarHBondContact O-N 3.25Å; P288-L292 PolarHBondContact O-N 3Å
289	E	75	Confident	77.6	Confident	40 Å²	40	64.4 Å²	64.4	19%	0.187	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-36.6	174.2	-66	177.9	-158.3	0	0	112.9	S277 S278 L283 S287 S291 L292 I293 I362	S277-E289 WeakPolarHBondContact CB-OE2 3.46Å; S278-E289 PolarHBondContact N-OE2 3.12Å; S278-E289 VanDerWaalsContact N-OE2 3.09Å; S278-E289 VanDerWaalsContact OG-CD 3.28Å; S278-E289 PolarHBondContact OG-OE1 3.39Å; S278-E289 PolarHBondContact OG-OE2 2.74Å; L283-E289 HydrophobicContact CD2-CB 4.16Å; S287-E289 PolarHBondContact O-N 2.92Å; E289-S291 PolarHBondContact O-N 3.35Å; E289-L292 PolarHBondContact O-N 3.09Å; E289-I293 WeakPolarHBondContact O-CG1 3.48Å; E289-I293 PolarHBondContact O-N 3.15Å; E289-I362 HydrophobicContact CG-CD1 4.21Å
290	F	76	Confident	78.6	Confident	43 Å²	43	62.4 Å²	62.4	19%	0.189	32%	0.324	C	S	.	.	H	α-helix	trans	-66.6	-37.9	178.8	-178.1	-82.2	0	0	0	112.1	L283 S284 K285 S287 P288 L292 G294	L283-F290 HydrophobicContact CB-CD2 4.28Å; S284-F290 WeakPolarHBondContact O-CB 3.49Å; S284-F290 WeakPolarHBondContact O-CG 3.21Å; K285-F290 HydrophobicContact CB-CD1 4.35Å; K285-F290 HydrophobicContact CB-CE1 4.3Å; K285-F290 HydrophobicContact CG-CD1 4.22Å; K285-F290 HydrophobicContact CG-CE1 3.7Å; K285-F290 HydrophobicContact CG-CE2 4.31Å; K285-F290 HydrophobicContact CG-CZ 3.76Å; S287-F290 WeakPolarHBondContact O-CB 3.43Å; S287-F290 PolarHBondContact O-N 2.67Å; S287-F290 WeakPolarHBondContact OG-CB 3.43Å; S287-F290 PolarHBondContact OG-N 3.3Å; P288-F290 VanDerWaalsContact C-N 3.27Å; P288-F290 PolarHBondContact O-N 3.42Å; F290-L292 PolarHBondContact O-N 3.07Å; F290-G294 WeakPolarHBondContact O-CA 3.15Å; F290-G294 PolarHBondContact O-N 3.47Å
291	S	73.1	Confident	79.6	Confident	80 Å²	80	68.2 Å²	68.2	56%	0.559	34%	0.341	S	S	*	.	H	α-helix	trans	-62.3	-33	176.5	-60.8	0	0	0	0	111.7	P288 E289 S298	P288-S291 PolarHBondContact O-N 3.25Å; E289-S291 PolarHBondContact O-N 3.35Å; S291-S298 VanDerWaalsContact O-CB 3.22Å; S291-S298 WeakPolarHBondContact O-CB 3.49Å; S291-S298 PolarHBondContact O-OG 3.05Å
292	L	77.8	Confident	80.6	Confident	109 Å²	109	67.9 Å²	67.9	57%	0.571	34%	0.335	S	S	*	.	H	α-helix	trans	-79.6	-52.7	179.6	-67.7	164.9	0	0	0	112.6	P288 E289 F290 S298	P288-L292 PolarHBondContact O-N 3Å; E289-L292 PolarHBondContact O-N 3.09Å; F290-L292 PolarHBondContact O-N 3.07Å; L292-S298 VanDerWaalsContact O-CB 3.26Å; L292-S298 WeakPolarHBondContact O-CB 3.5Å
293	I	82.8	Confident	81.8	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-128	-0.2	-168.3	62.5	158.8	0	0	0	114.3	E289 S295 L299 W312 L360 I362 L365	E289-I293 WeakPolarHBondContact O-CG1 3.48Å; E289-I293 PolarHBondContact O-N 3.15Å; I293-S295 VanDerWaalsContact C-N 3.28Å; I293-S295 PolarHBondContact O-N 3.39Å; I293-L299 HydrophobicContact CB-CD2 4.34Å; I293-L299 HydrophobicContact CG2-CD2 3.96Å; I293-W312 HydrophobicContact CB-CH2 4.5Å; I293-W312 HydrophobicContact CD1-CH2 4Å; I293-W312 HydrophobicContact CD1-CZ2 4.42Å; I293-L360 HydrophobicContact CD1-CD1 4.28Å; I293-I362 HydrophobicContact CD1-CD1 4.35Å; I293-I362 HydrophobicContact CD1-CG1 3.95Å; I293-L365 HydrophobicContact CG2-CD2 3.89Å
294	G	83.4	Confident	83	Confident	2 Å²	2	59.5 Å²	59.5	2%	0.021	30%	0.298	C	S	.	.	S	Bend	trans	-70.8	-22.5	-174.4	0	0	0	0	0	114.1	H49 L50 F290	H49-G294 WeakPolarHBondContact CA-O 3.43Å; L50-G294 PolarHBondContact N-O 2.95Å; F290-G294 WeakPolarHBondContact O-CA 3.15Å; F290-G294 PolarHBondContact O-N 3.47Å
295	S	90.9	Very high	84.5	Confident	8 Å²	8	58.4 Å²	58.4	6%	0.056	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-130.1	150.5	178.2	79.1	0	0	0	0	112.1	M48 I293 H297 S298 L299	M48-S295 WeakPolarHBondContact O-CA 3.39Å; I293-S295 VanDerWaalsContact C-N 3.28Å; I293-S295 PolarHBondContact O-N 3.39Å; S295-H297 PolarHBondContact O-N 3.2Å; S295-S298 PolarHBondContact O-N 2.93Å; S295-S298 PolarHBondContact OG-N 3.4Å; S295-S298 PolarHBondContact OG-OG 3.34Å; S295-L299 PolarHBondContact O-N 3.07Å
296	V	94.8	Very high	86	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-35.4	173.6	-176.3	0	0	0	0	110.5	M48 L53 W96 S298 L299 R300	M48-V296 HydrophobicContact CB-CB 4.49Å; M48-V296 HydrophobicContact CB-CG2 4.18Å; M48-V296 HydrophobicContact CG-CG2 4Å; M48-V296 WeakPolarHBondContact O-CG2 3.42Å; M48-V296 PolarHBondContact O-N 3.27Å; L53-V296 HydrophobicContact CB-CG2 3.85Å; L53-V296 HydrophobicContact CD2-CG1 4.47Å; L53-V296 HydrophobicContact CD2-CG2 3.87Å; L53-V296 HydrophobicContact CG-CG2 4.29Å; W96-V296 HydrophobicContact CE3-CG1 3.66Å; W96-V296 HydrophobicContact CZ3-CG1 3.58Å; V296-S298 VanDerWaalsContact C-N 3.32Å; V296-S298 PolarHBondContact O-N 3.28Å; V296-L299 PolarHBondContact O-N 2.66Å; V296-R300 HydrophobicContact CG1-CG 4.26Å; V296-R300 WeakPolarHBondContact O-CB 3.3Å; V296-R300 VanDerWaalsContact O-CG 3.28Å; V296-R300 WeakPolarHBondContact O-CG 3.28Å; V296-R300 PolarHBondContact O-N 2.93Å
297	H	94	Very high	87.5	Confident	74 Å²	74	42.6 Å²	42.6	34%	0.343	24%	0.235	S	C	.	.	H	α-helix	trans	-55.1	-44.3	173.2	-177.8	83.7	0	0	0	112.7	F47 S295 R300 K301	F47-H297 HydrophobicContact CD1-CB 3.86Å; F47-H297 HydrophobicContact CE1-CB 4.31Å; F47-H297 HydrophobicContact CG-CB 4.32Å; S295-H297 PolarHBondContact O-N 3.2Å; H297-R300 WeakPolarHBondContact O-CB 3.5Å; H297-R300 PolarHBondContact O-N 3.24Å; H297-K301 WeakPolarHBondContact O-CB 3.34Å; H297-K301 PolarHBondContact O-N 3.01Å
298	S	93.2	Very high	89	Confident	25 Å²	25	41.4 Å²	41.4	18%	0.175	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-44.4	176.4	-61.1	0	0	0	0	112.4	S291 L292 S295 V296 R300 K301 A302	S291-S298 VanDerWaalsContact O-CB 3.22Å; S291-S298 WeakPolarHBondContact O-CB 3.49Å; S291-S298 PolarHBondContact O-OG 3.05Å; L292-S298 VanDerWaalsContact O-CB 3.26Å; L292-S298 WeakPolarHBondContact O-CB 3.5Å; S295-S298 PolarHBondContact O-N 2.93Å; S295-S298 PolarHBondContact OG-N 3.4Å; S295-S298 PolarHBondContact OG-OG 3.34Å; V296-S298 VanDerWaalsContact C-N 3.32Å; V296-S298 PolarHBondContact O-N 3.28Å; S298-R300 VanDerWaalsContact C-N 3.33Å; S298-R300 PolarHBondContact O-N 3.06Å; S298-K301 PolarHBondContact O-N 3.4Å; S298-A302 PolarHBondContact O-N 2.7Å
299	L	95.6	Very high	90.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-40.2	178.5	-68.1	169.4	0	0	0	111.9	L50 W96 I293 S295 V296 G303 Y304 V309 L365	L50-L299 HydrophobicContact CD1-CD1 4.01Å; W96-L299 HydrophobicContact CH2-CB 4.27Å; I293-L299 HydrophobicContact CB-CD2 4.34Å; I293-L299 HydrophobicContact CG2-CD2 3.96Å; S295-L299 PolarHBondContact O-N 3.07Å; V296-L299 PolarHBondContact O-N 2.66Å; L299-G303 PolarHBondContact O-N 3.39Å; L299-Y304 HydrophobicContact CB-CD2 4.46Å; L299-Y304 HydrophobicContact CD2-CD2 3.78Å; L299-Y304 HydrophobicContact CD2-CE2 4.13Å; L299-Y304 HydrophobicContact CD2-CG 4.28Å; L299-Y304 PolarHBondContact O-N 3.35Å; L299-Y304 VanDerWaalsContact O-N 3.1Å; L299-V309 HydrophobicContact CD1-CG1 3.9Å; L299-V309 HydrophobicContact CD1-CG2 4.33Å; L299-L365 HydrophobicContact CD2-CD2 3.89Å
300	R	95.1	Very high	91.3	Very high	55 Å²	55	34.8 Å²	34.8	21%	0.208	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-47.9	173.9	-73.4	173.7	62.2	-155.3	-7.2	111.7	E92 W96 V296 H297 S298 A302 G303	E92-R300 VanDerWaalsContact CD-CZ 3.44Å; E92-R300 IonicContact OE1-CZ 3.39Å; E92-R300 IonicContact OE1-NH1 3.53Å; E92-R300 IonicContact OE1-NH2 2.92Å; E92-R300 PolarHBondContact OE1-NH2 3.3Å; E92-R300 IonicContact OE2-CZ 3.24Å; E92-R300 IonicContact OE2-NH1 3.05Å; E92-R300 PolarHBondContact OE2-NH1 3.22Å; E92-R300 IonicContact OE2-NH2 3.46Å; E92-R300 PolarHBondContact OE2-NH2 3.44Å; W96-R300 HydrophobicContact CB-CG 4.49Å; W96-R300 HydrophobicContact CD2-CG 3.35Å; W96-R300 HydrophobicContact CE3-CG 3.78Å; W96-R300 HydrophobicContact CG-CG 3.67Å; W96-R300 HydrophobicContact CH2-CG 4.19Å; W96-R300 HydrophobicContact CZ2-CG 3.81Å; W96-R300 HydrophobicContact CZ3-CG 4.2Å; V296-R300 HydrophobicContact CG1-CG 4.26Å; V296-R300 WeakPolarHBondContact O-CB 3.3Å; V296-R300 VanDerWaalsContact O-CG 3.28Å; V296-R300 WeakPolarHBondContact O-CG 3.28Å; V296-R300 PolarHBondContact O-N 2.93Å; H297-R300 WeakPolarHBondContact O-CB 3.5Å; H297-R300 PolarHBondContact O-N 3.24Å; S298-R300 VanDerWaalsContact C-N 3.33Å; S298-R300 PolarHBondContact O-N 3.06Å; R300-A302 VanDerWaalsContact C-N 3.31Å; R300-A302 PolarHBondContact O-N 3.08Å; R300-G303 PolarHBondContact O-N 3.36Å
301	K	93.9	Very high	92.2	Very high	151 Å²	151	32.8 Å²	32.8	66%	0.657	18%	0.177	S	C	*	.	H	α-helix	trans	-61.5	-39.4	-179.8	-173	-179.5	178.2	-177.4	0	112.1	H297 S298 G303 Y408	H297-K301 WeakPolarHBondContact O-CB 3.34Å; H297-K301 PolarHBondContact O-N 3.01Å; S298-K301 PolarHBondContact O-N 3.4Å; K301-G303 PolarHBondContact O-N 2.94Å; K301-Y408 PolarHBondContact O-OH 3.09Å
302	A	93.9	Very high	93.1	Very high	25 Å²	25	29 Å²	29	21%	0.207	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.8	174.7	0	0	0	0	0	113.6	S298 R300 Y304 C443 D445	S298-A302 PolarHBondContact O-N 2.7Å; R300-A302 VanDerWaalsContact C-N 3.31Å; R300-A302 PolarHBondContact O-N 3.08Å; A302-Y304 HydrophobicContact CB-CD2 3.89Å; A302-Y304 HydrophobicContact CB-CE2 3.86Å; A302-Y304 PolarHBondContact O-N 3.5Å; A302-C443 WeakPolarHBondContact O-CB 3.43Å; A302-C443 PolarHBondContact O-SG 3.4Å; A302-D445 WeakPolarHBondContact O-CB 3.43Å; A302-D445 PolarHBondContact O-N 3.28Å
303	G	96.2	Very high	93.9	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	31.1	176	0	0	0	0	0	114.4	L299 R300 K301 C443 L444	L299-G303 PolarHBondContact O-N 3.39Å; R300-G303 PolarHBondContact O-N 3.36Å; K301-G303 PolarHBondContact O-N 2.94Å; G303-C443 WeakPolarHBondContact O-CB 3.49Å; G303-L444 WeakPolarHBondContact O-CG 3.4Å; G303-L444 PolarHBondContact O-N 2.9Å
304	Y	96.8	Very high	94.3	Very high	31 Å²	31	23.8 Å²	23.8	12%	0.122	12%	0.124	C	C	.	.			trans	-64.6	142.5	171.3	-79.8	-84.2	0	0	0	110.6	W96 L299 A302 V309 L365 C443	W96-Y304 WeakPolarHBondContact CZ2-O 3.16Å; L299-Y304 HydrophobicContact CB-CD2 4.46Å; L299-Y304 HydrophobicContact CD2-CD2 3.78Å; L299-Y304 HydrophobicContact CD2-CE2 4.13Å; L299-Y304 HydrophobicContact CD2-CG 4.28Å; L299-Y304 PolarHBondContact O-N 3.35Å; L299-Y304 VanDerWaalsContact O-N 3.1Å; A302-Y304 HydrophobicContact CB-CD2 3.89Å; A302-Y304 HydrophobicContact CB-CE2 3.86Å; A302-Y304 PolarHBondContact O-N 3.5Å; Y304-V309 HydrophobicContact CG-CG2 4.46Å; Y304-L365 HydrophobicContact CD1-CD1 3.85Å; Y304-L365 HydrophobicContact CD1-CD2 4.2Å; Y304-L365 HydrophobicContact CD1-CG 3.96Å; Y304-L365 HydrophobicContact CE1-CD1 4.01Å; Y304-L365 HydrophobicContact CE1-CD2 3.75Å; Y304-L365 HydrophobicContact CE1-CG 3.56Å; Y304-L365 HydrophobicContact CE2-CD2 4.32Å; Y304-C443 HydrophobicContact CD1-CB 3.78Å; Y304-C443 HydrophobicContact CD2-CB 4.11Å; Y304-C443 HydrophobicContact CE1-CB 3.94Å; Y304-C443 HydrophobicContact CE2-CB 4.26Å; Y304-C443 HydrophobicContact CG-CB 3.86Å
305	M	96.6	Very high	94.4	Very high	32 Å²	32	25.6 Å²	25.6	16%	0.158	14%	0.139	C	C	.	.			trans	-67.6	129.4	172.4	-70.3	-172.6	73.7	0	0	110.1	S307 A308 V309 H372 F373 A376	M305-S307 VanDerWaalsContact C-N 3.27Å; M305-S307 PolarHBondContact O-N 3.19Å; M305-A308 HydrophobicContact CB-CB 4.04Å; M305-A308 WeakPolarHBondContact O-CB 3.48Å; M305-A308 PolarHBondContact O-N 3.06Å; M305-A308 VanDerWaalsContact O-N 3.09Å; M305-V309 PolarHBondContact O-N 3.47Å; M305-V309 VanDerWaalsContact O-N 3.13Å; M305-H372 HydrophobicContact CE-CB 4.38Å; M305-H372 HydrophobicContact SD-CB 3.96Å; M305-F373 WeakPolarHBondContact SD-CA 3.41Å; M305-F373 HydrophobicContact SD-CB 3.93Å; M305-F373 HydrophobicContact SD-CD2 4.35Å; M305-F373 PolarHBondContact SD-N 3.42Å; M305-A376 HydrophobicContact CE-CB 3.78Å
306	P	96.8	Very high	94	Very high	38 Å²	38	25.6 Å²	25.6	25%	0.247	14%	0.138	C	C	.	.	H	α-helix	trans	-60.5	-37.8	-177.7	-2.5	2.7	0	0	0	112.4	W96 A308 V309 L310	W96-P306 HydrophobicContact CD2-CB 4.13Å; W96-P306 HydrophobicContact CD2-CG 4.22Å; W96-P306 HydrophobicContact CE3-CB 4.3Å; W96-P306 HydrophobicContact CH2-CB 4.2Å; W96-P306 HydrophobicContact CZ2-CB 4.02Å; W96-P306 HydrophobicContact CZ2-CG 4.11Å; W96-P306 HydrophobicContact CZ3-CB 4.32Å; W96-P306 VanDerWaalsContact O-CB 3.26Å; W96-P306 WeakPolarHBondContact O-CB 2.98Å; W96-P306 WeakPolarHBondContact O-CG 3.24Å; P306-A308 PolarHBondContact O-N 3.25Å; P306-V309 PolarHBondContact O-N 3.46Å; P306-L310 WeakPolarHBondContact O-CG 3.26Å; P306-L310 PolarHBondContact O-N 3Å
307	S	96.6	Very high	93.4	Very high	43 Å²	43	25.9 Å²	25.9	30%	0.301	14%	0.141	S	C	.	.	H	α-helix	trans	-60.5	-41.1	174.9	51.1	0	0	0	0	112.9	M305 L310 N311 H372	M305-S307 VanDerWaalsContact C-N 3.27Å; M305-S307 PolarHBondContact O-N 3.19Å; S307-L310 PolarHBondContact O-N 3.36Å; S307-N311 WeakPolarHBondContact O-CB 3.49Å; S307-N311 PolarHBondContact O-N 2.86Å; S307-H372 WeakPolarHBondContact CB-ND1 3.47Å; S307-H372 PolarHBondContact OG-ND1 2.84Å; S307-H372 VanDerWaalsContact OG-ND1 3.13Å
308	A	96.7	Very high	92.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-44	174.9	0	0	0	0	0	112.2	M305 P306 N311 W312 C368 H372	M305-A308 HydrophobicContact CB-CB 4.04Å; M305-A308 WeakPolarHBondContact O-CB 3.48Å; M305-A308 PolarHBondContact O-N 3.06Å; M305-A308 VanDerWaalsContact O-N 3.09Å; P306-A308 PolarHBondContact O-N 3.25Å; A308-N311 PolarHBondContact O-N 3.32Å; A308-W312 VanDerWaalsContact O-CB 3.26Å; A308-W312 WeakPolarHBondContact O-CB 3.4Å; A308-W312 PolarHBondContact O-N 3.33Å; A308-C368 HydrophobicContact CB-CB 3.91Å; A308-C368 WeakPolarHBondContact O-CB 3.3Å; A308-H372 HydrophobicContact CB-CB 3.94Å
309	V	96.4	Very high	92.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-44.4	178	174.2	0	0	0	0	110.9	L53 W96 L299 Y304 M305 P306 W312 L313 L365	L53-V309 HydrophobicContact CD2-CG1 3.84Å; W96-V309 HydrophobicContact CH2-CB 4.43Å; W96-V309 HydrophobicContact CH2-CG2 4.1Å; L299-V309 HydrophobicContact CD1-CG1 3.9Å; L299-V309 HydrophobicContact CD1-CG2 4.33Å; Y304-V309 HydrophobicContact CG-CG2 4.46Å; M305-V309 PolarHBondContact O-N 3.47Å; M305-V309 VanDerWaalsContact O-N 3.13Å; P306-V309 PolarHBondContact O-N 3.46Å; V309-W312 HydrophobicContact CG1-CE3 4.4Å; V309-W312 PolarHBondContact O-N 3Å; V309-L313 HydrophobicContact CG1-CD1 4.29Å; V309-L313 WeakPolarHBondContact O-CG 3.37Å; V309-L313 PolarHBondContact O-N 3.26Å; V309-L365 HydrophobicContact CG2-CD1 4Å
310	L	96.3	Very high	91.8	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.042	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-45.6	177.8	-66.8	-170.6	0	0	0	111.5	L53 L57 S97 L99 P306 S307 L313 T314 F341	L53-L310 HydrophobicContact CD1-CD2 4.36Å; L53-L310 HydrophobicContact CD2-CD2 4.43Å; L53-L310 HydrophobicContact CG-CD2 4.32Å; L57-L310 HydrophobicContact CB-CD2 4.37Å; L57-L310 HydrophobicContact CD1-CB 4.23Å; L57-L310 HydrophobicContact CD1-CD1 4.16Å; L57-L310 HydrophobicContact CD1-CD2 4.11Å; L57-L310 HydrophobicContact CD1-CG 4.39Å; L57-L310 HydrophobicContact CD2-CB 4.25Å; L57-L310 HydrophobicContact CD2-CD2 4.2Å; L57-L310 VanDerWaalsContact CD2-O 3.28Å; L57-L310 WeakPolarHBondContact CD2-O 3.35Å; L57-L310 HydrophobicContact CG-CD2 4.45Å; S97-L310 VanDerWaalsContact O-CD1 3.3Å; S97-L310 WeakPolarHBondContact O-CD1 3.42Å; L99-L310 HydrophobicContact CD1-CD2 3.89Å; L99-L310 HydrophobicContact CD2-CD1 3.86Å; L99-L310 HydrophobicContact CG-CD1 4.13Å; L99-L310 HydrophobicContact CG-CD2 4.28Å; P306-L310 WeakPolarHBondContact O-CG 3.26Å; P306-L310 PolarHBondContact O-N 3Å; S307-L310 PolarHBondContact O-N 3.36Å; L310-L313 PolarHBondContact O-N 3Å; L310-T314 WeakPolarHBondContact O-CG2 3.18Å; L310-T314 PolarHBondContact O-N 3.45Å; L310-F341 HydrophobicContact CD1-CD2 4.4Å
311	N	94.8	Very high	90.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-47.7	177.7	-170.5	19.9	0	0	0	110.9	S307 A308 L313 T314 A315 W335 R336 P337 D338 F339	S307-N311 WeakPolarHBondContact O-CB 3.49Å; S307-N311 PolarHBondContact O-N 2.86Å; A308-N311 PolarHBondContact O-N 3.32Å; N311-L313 VanDerWaalsContact C-N 3.27Å; N311-L313 PolarHBondContact O-N 2.84Å; N311-T314 WeakPolarHBondContact O-CA 3.34Å; N311-T314 WeakPolarHBondContact O-CB 3.24Å; N311-T314 PolarHBondContact O-N 2.76Å; N311-T314 PolarHBondContact O-OG1 2.94Å; N311-T314 PolarHBondContact OD1-OG1 3.39Å; N311-A315 PolarHBondContact O-N 2.95Å; N311-W335 WeakPolarHBondContact O-CZ2 3.42Å; N311-W335 VanDerWaalsContact OD1-CZ2 3.3Å; N311-W335 WeakPolarHBondContact OD1-CZ2 3.4Å; N311-W335 PolarHBondContact OD1-NE1 3.34Å; N311-R336 PolarHBondContact ND2-O 3.32Å; N311-P337 WeakPolarHBondContact ND2-CA 3.32Å; N311-P337 PolarHBondContact ND2-O 2.94Å; N311-D338 PolarHBondContact ND2-N 3.35Å; N311-F339 PolarHBondContact ND2-N 3.2Å
312	W	93.5	Very high	89.1	Confident	0 Å²	0	19 Å²	19	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-52.5	-42.8	174.8	170.4	61.2	0	0	0	113	L50 I293 A308 V309 T314 A315 L360 S361 L365 C368	L50-W312 HydrophobicContact CD1-CZ3 3.89Å; L50-W312 HydrophobicContact CD2-CH2 3.42Å; L50-W312 VanDerWaalsContact CD2-CH2 3.42Å; L50-W312 HydrophobicContact CD2-CZ3 3.46Å; L50-W312 VanDerWaalsContact CD2-CZ3 3.46Å; L50-W312 HydrophobicContact CG-CZ3 4.29Å; I293-W312 HydrophobicContact CB-CH2 4.5Å; I293-W312 HydrophobicContact CD1-CH2 4Å; I293-W312 HydrophobicContact CD1-CZ2 4.42Å; A308-W312 VanDerWaalsContact O-CB 3.26Å; A308-W312 WeakPolarHBondContact O-CB 3.4Å; A308-W312 PolarHBondContact O-N 3.33Å; V309-W312 HydrophobicContact CG1-CE3 4.4Å; V309-W312 PolarHBondContact O-N 3Å; W312-T314 PolarHBondContact O-N 3.37Å; W312-A315 VanDerWaalsContact O-CB 3.28Å; W312-A315 WeakPolarHBondContact O-CB 3.42Å; W312-A315 PolarHBondContact O-N 3.13Å; W312-A315 VanDerWaalsContact O-N 3.07Å; W312-L360 HydrophobicContact CH2-CD2 3.92Å; W312-L360 HydrophobicContact CZ2-CB 4.01Å; W312-L360 HydrophobicContact CZ2-CD2 3.73Å; W312-L360 HydrophobicContact CZ2-CG 4.38Å; W312-S361 PolarHBondContact NE1-O 3.42Å; W312-L365 HydrophobicContact CB-CD1 4.28Å; W312-L365 HydrophobicContact CD2-CB 3.83Å; W312-L365 HydrophobicContact CD2-CD1 3.99Å; W312-L365 HydrophobicContact CD2-CG 4.36Å; W312-L365 HydrophobicContact CE3-CB 4.33Å; W312-L365 HydrophobicContact CE3-CD1 3.82Å; W312-L365 HydrophobicContact CE3-CD2 4.39Å; W312-L365 HydrophobicContact CE3-CG 4.4Å; W312-L365 HydrophobicContact CG-CB 4.01Å; W312-L365 HydrophobicContact CG-CD1 4.2Å; W312-L365 HydrophobicContact CH2-CD2 4.23Å; W312-L365 HydrophobicContact CZ2-CB 4.13Å; W312-L365 HydrophobicContact CZ3-CD1 4.36Å; W312-L365 HydrophobicContact CZ3-CD2 4.14Å; W312-C368 HydrophobicContact CB-CB 4.32Å
313	L	92.7	Very high	87.2	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.5	-27.8	177.9	-74.7	171.5	0	0	0	113.2	L50 L53 R54 L57 L275 V309 L310 N311 T316	L50-L313 HydrophobicContact CD1-CD1 3.94Å; L50-L313 HydrophobicContact CD1-CD2 3.55Å; L50-L313 HydrophobicContact CD1-CG 4.12Å; L50-L313 HydrophobicContact CD2-CD2 4.03Å; L50-L313 HydrophobicContact CG-CD2 3.63Å; L53-L313 HydrophobicContact CB-CD1 4.29Å; L53-L313 HydrophobicContact CD2-CD1 3.92Å; L53-L313 HydrophobicContact CG-CD1 3.91Å; R54-L313 HydrophobicContact CB-CD1 4.28Å; R54-L313 HydrophobicContact CB-CD2 4.09Å; L57-L313 HydrophobicContact CD2-CB 3.91Å; L275-L313 HydrophobicContact CD1-CD2 4.26Å; V309-L313 HydrophobicContact CG1-CD1 4.29Å; V309-L313 WeakPolarHBondContact O-CG 3.37Å; V309-L313 PolarHBondContact O-N 3.26Å; L310-L313 PolarHBondContact O-N 3Å; N311-L313 VanDerWaalsContact C-N 3.27Å; N311-L313 PolarHBondContact O-N 2.84Å; L313-T316 PolarHBondContact O-N 3.44Å; L313-T316 PolarHBondContact O-OG1 3.46Å
314	T	91.3	Very high	84.6	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-76.8	-24.2	175.1	72.3	0	0	0	0	113.7	L57 F58 L61 L310 N311 W312 T316 V320 W335 L344	L57-T314 HydrophobicContact CD2-CG2 3.82Å; F58-T314 HydrophobicContact CE1-CG2 4.4Å; L61-T314 HydrophobicContact CD1-CG2 4.28Å; L310-T314 WeakPolarHBondContact O-CG2 3.18Å; L310-T314 PolarHBondContact O-N 3.45Å; N311-T314 WeakPolarHBondContact O-CA 3.34Å; N311-T314 WeakPolarHBondContact O-CB 3.24Å; N311-T314 PolarHBondContact O-N 2.76Å; N311-T314 PolarHBondContact O-OG1 2.94Å; N311-T314 PolarHBondContact OD1-OG1 3.39Å; W312-T314 PolarHBondContact O-N 3.37Å; T314-T316 PolarHBondContact O-N 3.06Å; T314-V320 HydrophobicContact CG2-CG2 3.8Å; T314-W335 PolarHBondContact OG1-NE1 3.1Å; T314-L344 HydrophobicContact CG2-CD1 4.1Å; T314-L344 HydrophobicContact CG2-CD2 4.04Å
315	A	87.1	Confident	82	Confident	40 Å²	40	34 Å²	34	33%	0.331	19%	0.19	S	C	.	.	H	α-helix	trans	-65.6	-22	171.2	0	0	0	0	0	112	N311 W312 W335	N311-A315 PolarHBondContact O-N 2.95Å; W312-A315 VanDerWaalsContact O-CB 3.28Å; W312-A315 WeakPolarHBondContact O-CB 3.42Å; W312-A315 PolarHBondContact O-N 3.13Å; W312-A315 VanDerWaalsContact O-N 3.07Å; A315-W335 HydrophobicContact CB-CD2 3.93Å; A315-W335 HydrophobicContact CB-CE3 4.26Å; A315-W335 HydrophobicContact CB-CH2 3.93Å; A315-W335 HydrophobicContact CB-CZ2 3.58Å; A315-W335 HydrophobicContact CB-CZ3 4.29Å
316	T	82.5	Confident	79.2	Confident	8 Å²	8	39.3 Å²	39.3	5%	0.049	22%	0.22	C	C	.	.	S	Bend	trans	-99.4	104.3	-171.9	66	0	0	0	0	110.7	R54 L313 T314 L360	R54-T316 VanDerWaalsContact CZ-O 3.23Å; R54-T316 PolarHBondContact NE-O 3.03Å; R54-T316 PolarHBondContact NH2-O 2.91Å; L313-T316 PolarHBondContact O-N 3.44Å; L313-T316 PolarHBondContact O-OG1 3.46Å; T314-T316 PolarHBondContact O-N 3.06Å; T316-L360 HydrophobicContact CG2-CD2 4.04Å
317	G	81.1	Confident	76.6	Confident	6 Å²	6	41.5 Å²	41.5	6%	0.062	25%	0.249	C	C	.	.	S	Bend	trans	87	16.3	173.9	0	0	0	0	0	116.1	N354	G317-N354 WeakPolarHBondContact O-CB 3.49Å; G317-N354 PolarHBondContact O-N 3.36Å
318	G	84.1	Confident	73.8	Confident	18 Å²	18	48.5 Å²	48.5	19%	0.186	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.7	-163.8	172.7	0	0	0	0	0	114.5
319	G	83.6	Confident	70.8	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.1	-20.4	-179.1	0	0	0	0	0	114.8	F348 D349 N352	G319-F348 CarbonylContact O-C 3.41Å; G319-F348 VanDerWaalsContact O-CA 3.23Å; G319-F348 WeakPolarHBondContact O-CA 3.12Å; G319-F348 WeakPolarHBondContact O-CD2 3.3Å; G319-D349 PolarHBondContact O-N 3.29Å; G319-N352 PolarHBondContact N-O 3.31Å
320	V	82.3	Confident	67.8	Low	11 Å²	11	59.2 Å²	59.2	7%	0.067	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.4	172.7	175	0	0	0	0	108.4	T314 L344 R347 F348	T314-V320 HydrophobicContact CG2-CG2 3.8Å; V320-L344 HydrophobicContact CG1-CD2 4.13Å; V320-L344 HydrophobicContact CG2-CD2 4.29Å; V320-R347 HydrophobicContact CG1-CB 3.63Å; V320-F348 HydrophobicContact CG2-CD2 4.1Å
321	C	66.8	Low	65	Low	36 Å²	36	66.5 Å²	66.5	24%	0.243	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-73.9	151.4	-173.9	-42.6	0	0	0	0	112.3	R347 N352	C321-R347 PolarHBondContact N-O 2.82Å; C321-R347 WeakPolarHBondContact O-CD 3.36Å; C321-R347 PolarHBondContact SG-O 3.05Å; C321-N352 PolarHBondContact SG-ND2 3.42Å
322	H	64.4	Low	62.1	Low	94 Å²	94	71.3 Å²	71.3	44%	0.435	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-77.2	150.4	166.9	-50.4	-73	0	0	0	110.6	N324 Y333 E334 W335	H322-N324 PolarHBondContact O-N 3.13Å; H322-N324 VanDerWaalsContact O-N 3.14Å; H322-Y333 VanDerWaalsContact CB-CB 3.43Å; H322-Y333 VanDerWaalsContact CB-O 3.22Å; H322-Y333 WeakPolarHBondContact CB-O 3.48Å; H322-Y333 PolarHBondContact ND1-O 3.34Å; H322-E334 WeakPolarHBondContact ND1-CA 3.22Å; H322-W335 PolarHBondContact CE1-N 3.3Å; H322-W335 PolarHBondContact ND1-N 3.32Å
323	D	54.3	Low	59.9	Low	62 Å²	62	75 Å²	75	33%	0.332	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-61.7	116.7	-175.6	-71.7	-28.2	0	0	0	111.2	F325 Y333 R347	D323-F325 PolarHBondContact O-N 3.2Å; D323-Y333 HydrophobicContact CB-CD1 3.56Å; D323-Y333 HydrophobicContact CB-CE1 3.76Å; D323-Y333 HydrophobicContact CB-CG 4.28Å; D323-Y333 WeakPolarHBondContact O-CD1 3.5Å; D323-Y333 WeakPolarHBondContact O-CD2 3.37Å; D323-Y333 VanDerWaalsContact O-CE1 3.25Å; D323-Y333 WeakPolarHBondContact O-CE1 3.47Å; D323-Y333 WeakPolarHBondContact O-CE2 3.45Å; D323-R347 VanDerWaalsContact CG-NH2 3.28Å; D323-R347 IonicContact OD1-CZ 3.3Å; D323-R347 IonicContact OD1-NE 2.63Å; D323-R347 PolarHBondContact OD1-NE 3.22Å; D323-R347 IonicContact OD1-NH2 3.09Å; D323-R347 PolarHBondContact OD1-NH2 3.23Å; D323-R347 IonicContact OD2-CZ 2.79Å; D323-R347 IonicContact OD2-NE 2.73Å; D323-R347 IonicContact OD2-NH2 3.64Å; D323-R347 PolarHBondContact OD2-NH2 3.15Å
324	N	43	Very low	58.7	Low	153 Å²	153	82.1 Å²	82.1	82%	0.818	47%	0.465	S	S	*	.			trans	-84.8	93	170.1	-85.9	-25.6	0	0	0	109.4	H322	H322-N324 PolarHBondContact O-N 3.13Å; H322-N324 VanDerWaalsContact O-N 3.14Å
325	F	40.8	Very low	58.4	Low	160 Å²	160	84 Å²	84	70%	0.702	47%	0.471	S	S	*	.			trans	-104.3	88.8	167.4	-110.5	-83.7	0	0	0	111.8	D323 Y333	D323-F325 PolarHBondContact O-N 3.2Å; F325-Y333 WeakPolarHBondContact CB-OH 3.31Å
326	N	37.7	Very low	58.5	Low	145 Å²	145	86.8 Å²	86.8	78%	0.775	47%	0.473	S	S	*	.			trans	23.3	101	148	-64.2	-24.4	0	0	0	119.6	K328	N326-K328 PolarHBondContact O-N 2.9Å; N326-K328 VanDerWaalsContact O-N 3.16Å
327	G	42.7	Very low	58.9	Low	84 Å²	84	87.4 Å²	87.4	87%	0.866	48%	0.478	S	S	*	.	S	Bend		80.2	-0.1	129.2	0	0	0	0	0	119.7
328	K	38.7	Very low	59.4	Low	190 Å²	190	88.9 Å²	88.9	83%	0.826	48%	0.484	S	S	*	.	S	Bend	trans	-133.7	105.7	172.5	-66.8	-172.2	179.1	-178.8	0	109.5	N326 D330	N326-K328 PolarHBondContact O-N 2.9Å; N326-K328 VanDerWaalsContact O-N 3.16Å; K328-D330 PolarHBondContact O-N 3.28Å
329	G	32.9	Very low	59.8	Low	86 Å²	86	88.4 Å²	88.4	89%	0.887	48%	0.477	S	S	*	.	S	Bend	trans	-58.5	115.4	-168.7	0	0	0	0	0	113.2
330	D	33.7	Very low	60.2	Low	138 Å²	138	91.6 Å²	91.6	74%	0.738	49%	0.491	S	S	*	.				164.9	80.3	125	-170.3	17.9	0	0	0	108.7	K328	K328-D330 PolarHBondContact O-N 3.28Å
331	F	36.2	Very low	60.8	Low	162 Å²	162	94.4 Å²	94.4	71%	0.711	50%	0.503	S	S	*	.			trans	-148.8	107.3	165.7	-71.3	-71.7	0	0	0	108.9	Y333	F331-Y333 HydrophobicContact CB-CD2 4.31Å; F331-Y333 HydrophobicContact CB-CE1 4.2Å; F331-Y333 HydrophobicContact CB-CE2 3.77Å; F331-Y333 WeakPolarHBondContact O-CD2 3.4Å; F331-Y333 VanDerWaalsContact O-CE2 3.31Å; F331-Y333 WeakPolarHBondContact O-CE2 3.07Å; F331-Y333 PolarHBondContact O-N 3.04Å
332	S	35.6	Very low	62.2	Low	100 Å²	100	96.6 Å²	96.6	70%	0.699	52%	0.519	S	S	*	.			trans	-75	99.1	166.3	53.2	0	0	0	0	108.3	E334	S332-E334 PolarHBondContact O-N 3.23Å
333	Y	47.7	Very low	63.5	Low	79 Å²	79	94.1 Å²	94.1	31%	0.31	51%	0.508	S	S	.	.			trans	-75.9	117.6	178.9	-61	-87.2	0	0	0	109.2	H322 D323 F325 F331	H322-Y333 VanDerWaalsContact CB-CB 3.43Å; H322-Y333 VanDerWaalsContact CB-O 3.22Å; H322-Y333 WeakPolarHBondContact CB-O 3.48Å; H322-Y333 PolarHBondContact ND1-O 3.34Å; D323-Y333 HydrophobicContact CB-CD1 3.56Å; D323-Y333 HydrophobicContact CB-CE1 3.76Å; D323-Y333 HydrophobicContact CB-CG 4.28Å; D323-Y333 WeakPolarHBondContact O-CD1 3.5Å; D323-Y333 WeakPolarHBondContact O-CD2 3.37Å; D323-Y333 VanDerWaalsContact O-CE1 3.25Å; D323-Y333 WeakPolarHBondContact O-CE1 3.47Å; D323-Y333 WeakPolarHBondContact O-CE2 3.45Å; F325-Y333 WeakPolarHBondContact CB-OH 3.31Å; F331-Y333 HydrophobicContact CB-CD2 4.31Å; F331-Y333 HydrophobicContact CB-CE1 4.2Å; F331-Y333 HydrophobicContact CB-CE2 3.77Å; F331-Y333 WeakPolarHBondContact O-CD2 3.4Å; F331-Y333 VanDerWaalsContact O-CE2 3.31Å; F331-Y333 WeakPolarHBondContact O-CE2 3.07Å; F331-Y333 PolarHBondContact O-N 3.04Å
334	E	66.8	Low	65.4	Low	148 Å²	148	91.3 Å²	91.3	69%	0.692	49%	0.492	S	S	*	.			trans	-109.7	150.9	-178.9	-70.9	-177.6	171.2	0	0	110.8	H322 S332	H322-E334 WeakPolarHBondContact ND1-CA 3.22Å; S332-E334 PolarHBondContact O-N 3.23Å
335	W	83.8	Confident	67.9	Low	42 Å²	42	84.9 Å²	84.9	16%	0.159	46%	0.458	C	S	.	.			trans	-63.5	142.4	172.8	169.1	100	0	0	0	107.5	N311 T314 A315 H322 P337 F339 M364 C368	N311-W335 WeakPolarHBondContact O-CZ2 3.42Å; N311-W335 VanDerWaalsContact OD1-CZ2 3.3Å; N311-W335 WeakPolarHBondContact OD1-CZ2 3.4Å; N311-W335 PolarHBondContact OD1-NE1 3.34Å; T314-W335 PolarHBondContact OG1-NE1 3.1Å; A315-W335 HydrophobicContact CB-CD2 3.93Å; A315-W335 HydrophobicContact CB-CE3 4.26Å; A315-W335 HydrophobicContact CB-CH2 3.93Å; A315-W335 HydrophobicContact CB-CZ2 3.58Å; A315-W335 HydrophobicContact CB-CZ3 4.29Å; H322-W335 PolarHBondContact CE1-N 3.3Å; H322-W335 PolarHBondContact ND1-N 3.32Å; W335-P337 VanDerWaalsContact CH2-CA 3.45Å; W335-P337 HydrophobicContact CH2-CB 3.95Å; W335-P337 HydrophobicContact CZ3-CB 3.95Å; W335-F339 AromaticContact CD1-CE2 3.94Å; W335-F339 HydrophobicContact CG-CE2 4.25Å; W335-M364 HydrophobicContact CE3-CE 4.08Å; W335-M364 HydrophobicContact CH2-CE 3.89Å; W335-M364 HydrophobicContact CZ3-CE 3.26Å; W335-C368 VanDerWaalsContact CH2-SG 3.51Å
336	R	89.1	Confident	70.4	Confident	100 Å²	100	80.6 Å²	80.6	38%	0.377	45%	0.449	S	S	.	.			trans	-115.9	142.7	-176.5	-58.6	-173.4	-62.9	156	1.3	112.1	N311 D338 F339 E343	N311-R336 PolarHBondContact ND2-O 3.32Å; R336-D338 VanDerWaalsContact CB-OD1 3.24Å; R336-D338 WeakPolarHBondContact CB-OD1 3.39Å; R336-D338 IonicContact CZ-OD1 3.62Å; R336-D338 IonicContact NE-OD1 3.69Å; R336-D338 IonicContact NH1-OD1 3.74Å; R336-D338 PolarHBondContact O-N 2.82Å; R336-F339 HydrophobicContact CB-CD1 4.47Å; R336-F339 HydrophobicContact CB-CD2 4.45Å; R336-F339 HydrophobicContact CB-CE1 4.17Å; R336-F339 HydrophobicContact CB-CE2 4.15Å; R336-F339 HydrophobicContact CB-CZ 3.99Å; R336-F339 HydrophobicContact CG-CE1 4.38Å; R336-F339 HydrophobicContact CG-CZ 4.14Å; R336-F339 VanDerWaalsContact O-CD2 3.25Å; R336-F339 WeakPolarHBondContact O-CD2 3.43Å; R336-E343 IonicContact NH2-OE1 2.78Å; R336-E343 PolarHBondContact NH2-OE1 3.29Å
337	P	91.6	Very high	72.9	Confident	21 Å²	21	75.4 Å²	75.4	14%	0.136	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	0.4	-178.6	31.6	-37	0	0	0	115	N311 W335 I367 F371 H372	N311-P337 WeakPolarHBondContact ND2-CA 3.32Å; N311-P337 PolarHBondContact ND2-O 2.94Å; W335-P337 VanDerWaalsContact CH2-CA 3.45Å; W335-P337 HydrophobicContact CH2-CB 3.95Å; W335-P337 HydrophobicContact CZ3-CB 3.95Å; P337-I367 HydrophobicContact CB-CG2 3.68Å; P337-I367 HydrophobicContact CG-CG2 3.87Å; P337-F371 HydrophobicContact CB-CB 4.41Å; P337-F371 HydrophobicContact CB-CD2 3.75Å; P337-F371 HydrophobicContact CB-CE2 4.27Å; P337-F371 HydrophobicContact CB-CG 4.16Å; P337-F371 HydrophobicContact CG-CB 4.44Å; P337-F371 HydrophobicContact CG-CD1 4.18Å; P337-F371 HydrophobicContact CG-CD2 3.3Å; P337-F371 HydrophobicContact CG-CE1 4.25Å; P337-F371 HydrophobicContact CG-CE2 3.39Å; P337-F371 HydrophobicContact CG-CG 3.72Å; P337-F371 HydrophobicContact CG-CZ 3.88Å; P337-H372 PolarHBondContact O-CD2 3.03Å; P337-H372 PolarHBondContact O-NE2 3.03Å
338	D	92.3	Very high	75.3	Confident	37 Å²	37	71.4 Å²	71.4	20%	0.198	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	15.2	-172.5	72	-35.1	0	0	0	115	N311 R336 E340 F371 K375	N311-D338 PolarHBondContact ND2-N 3.35Å; R336-D338 VanDerWaalsContact CB-OD1 3.24Å; R336-D338 WeakPolarHBondContact CB-OD1 3.39Å; R336-D338 IonicContact CZ-OD1 3.62Å; R336-D338 IonicContact NE-OD1 3.69Å; R336-D338 IonicContact NH1-OD1 3.74Å; R336-D338 PolarHBondContact O-N 2.82Å; D338-E340 PolarHBondContact O-N 3.12Å; D338-F371 HydrophobicContact CB-CB 3.9Å; D338-F371 HydrophobicContact CB-CD1 3.9Å; D338-F371 HydrophobicContact CB-CG 4.21Å; D338-K375 PolarHBondContact O-NZ 3.08Å
339	F	92.9	Very high	77.9	Confident	7 Å²	7	65.3 Å²	65.3	3%	0.031	35%	0.353	C	S	.	.			trans	-62.7	131.7	-179.1	-74.2	-47.5	0	0	0	112.2	N311 W335 R336 E343 L344 H372	N311-F339 PolarHBondContact ND2-N 3.2Å; W335-F339 AromaticContact CD1-CE2 3.94Å; W335-F339 HydrophobicContact CG-CE2 4.25Å; R336-F339 HydrophobicContact CB-CD1 4.47Å; R336-F339 HydrophobicContact CB-CD2 4.45Å; R336-F339 HydrophobicContact CB-CE1 4.17Å; R336-F339 HydrophobicContact CB-CE2 4.15Å; R336-F339 HydrophobicContact CB-CZ 3.99Å; R336-F339 HydrophobicContact CG-CE1 4.38Å; R336-F339 HydrophobicContact CG-CZ 4.14Å; R336-F339 VanDerWaalsContact O-CD2 3.25Å; R336-F339 WeakPolarHBondContact O-CD2 3.43Å; F339-E343 HydrophobicContact CB-CB 4.33Å; F339-E343 HydrophobicContact CD1-CB 4Å; F339-E343 HydrophobicContact CG-CB 4.49Å; F339-L344 HydrophobicContact CB-CD2 3.66Å; F339-L344 HydrophobicContact CB-CG 4.12Å; F339-L344 HydrophobicContact CD2-CD2 3.96Å; F339-L344 HydrophobicContact CG-CD2 4.15Å; F339-H372 PolarHBondContact O-CE1 3.42Å; F339-H372 VanDerWaalsContact O-CE1 3.3Å
340	E	92.1	Very high	80.7	Confident	68 Å²	68	61.4 Å²	61.4	32%	0.318	31%	0.312	S	S	.	.			trans	-75.2	160.2	167.6	-67.6	-56.8	146.7	0	0	112	D338 S342 E343 L344 K375	D338-E340 PolarHBondContact O-N 3.12Å; E340-S342 PolarHBondContact O-N 2.82Å; E340-E343 HydrophobicContact CB-CG 4.49Å; E340-E343 PolarHBondContact N-OE2 2.77Å; E340-E343 VanDerWaalsContact N-OE2 3.1Å; E340-E343 WeakPolarHBondContact O-CA 3.4Å; E340-E343 WeakPolarHBondContact O-CB 3.49Å; E340-E343 PolarHBondContact O-N 2.78Å; E340-L344 WeakPolarHBondContact O-CG 3.48Å; E340-L344 PolarHBondContact O-N 2.82Å; E340-K375 WeakPolarHBondContact OE1-CD 3.39Å; E340-K375 WeakPolarHBondContact OE1-CE 3.4Å; E340-K375 IonicContact OE1-NZ 3.77Å; E340-K375 PolarHBondContact OE1-NZ 2.99Å
341	F	94.3	Very high	83.3	Confident	70 Å²	70	58.4 Å²	58.4	31%	0.307	30%	0.302	S	S	.	.	H	α-helix	trans	-55.3	-38.5	177.8	-173.2	-95.6	0	0	0	112.9	L57 K60 L61 V64 L99 L310 E343 L344 V345	L57-F341 HydrophobicContact CD1-CE2 4.14Å; K60-F341 HydrophobicContact CG-CE2 4.49Å; K60-F341 HydrophobicContact CG-CZ 3.79Å; L61-F341 HydrophobicContact CD2-CD2 4.24Å; L61-F341 HydrophobicContact CD2-CE2 3.71Å; L61-F341 HydrophobicContact CD2-CZ 3.91Å; V64-F341 HydrophobicContact CG2-CE1 4.37Å; L99-F341 HydrophobicContact CD2-CE2 3.91Å; L310-F341 HydrophobicContact CD1-CD2 4.4Å; F341-E343 VanDerWaalsContact C-N 3.31Å; F341-E343 PolarHBondContact O-N 2.77Å; F341-L344 PolarHBondContact O-N 3.49Å; F341-V345 HydrophobicContact CD1-CG2 3.94Å; F341-V345 HydrophobicContact CE1-CG2 3.56Å; F341-V345 HydrophobicContact CZ-CG2 4.02Å; F341-V345 VanDerWaalsContact O-CG2 3.29Å; F341-V345 WeakPolarHBondContact O-CG2 3.5Å; F341-V345 PolarHBondContact O-N 3.46Å
342	S	94.9	Very high	85.8	Confident	83 Å²	83	54.2 Å²	54.2	58%	0.58	29%	0.287	S	S	*	.	H	α-helix	trans	-63.6	-35.5	176.2	53.9	0	0	0	0	113.1	E340 V345 S346	E340-S342 PolarHBondContact O-N 2.82Å; S342-V345 PolarHBondContact O-N 3.31Å; S342-S346 PolarHBondContact O-N 3.5Å; S342-S346 VanDerWaalsContact O-N 3.09Å
343	E	93.1	Very high	88.5	Confident	42 Å²	42	49.8 Å²	49.8	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-72	-37.9	175.6	-71	-173.5	90.6	0	0	112.1	R336 F339 E340 F341 V345 S346 R347	R336-E343 IonicContact NH2-OE1 2.78Å; R336-E343 PolarHBondContact NH2-OE1 3.29Å; F339-E343 HydrophobicContact CB-CB 4.33Å; F339-E343 HydrophobicContact CD1-CB 4Å; F339-E343 HydrophobicContact CG-CB 4.49Å; E340-E343 HydrophobicContact CB-CG 4.49Å; E340-E343 PolarHBondContact N-OE2 2.77Å; E340-E343 VanDerWaalsContact N-OE2 3.1Å; E340-E343 WeakPolarHBondContact O-CA 3.4Å; E340-E343 WeakPolarHBondContact O-CB 3.49Å; E340-E343 PolarHBondContact O-N 2.78Å; F341-E343 VanDerWaalsContact C-N 3.31Å; F341-E343 PolarHBondContact O-N 2.77Å; E343-V345 VanDerWaalsContact C-N 3.33Å; E343-S346 PolarHBondContact O-OG 3.29Å; E343-R347 VanDerWaalsContact CB-NH1 3.29Å; E343-R347 WeakPolarHBondContact O-CB 2.89Å; E343-R347 WeakPolarHBondContact O-CG 3.25Å; E343-R347 PolarHBondContact O-N 2.99Å; E343-R347 PolarHBondContact O-NH1 2.94Å; E343-R347 IonicContact OE1-NH1 2.67Å; E343-R347 PolarHBondContact OE1-NH1 3.49Å; E343-R347 IonicContact OE1-NH2 3.5Å
344	L	94	Very high	90.5	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-44.6	172.2	-61.9	179.3	0	0	0	110.3	L61 T314 V320 F339 E340 F341 R347 F348	L61-L344 HydrophobicContact CD1-CB 4.36Å; L61-L344 HydrophobicContact CD2-CB 3.74Å; T314-L344 HydrophobicContact CG2-CD1 4.1Å; T314-L344 HydrophobicContact CG2-CD2 4.04Å; V320-L344 HydrophobicContact CG1-CD2 4.13Å; V320-L344 HydrophobicContact CG2-CD2 4.29Å; F339-L344 HydrophobicContact CB-CD2 3.66Å; F339-L344 HydrophobicContact CB-CG 4.12Å; F339-L344 HydrophobicContact CD2-CD2 3.96Å; F339-L344 HydrophobicContact CG-CD2 4.15Å; E340-L344 WeakPolarHBondContact O-CG 3.48Å; E340-L344 PolarHBondContact O-N 2.82Å; F341-L344 PolarHBondContact O-N 3.49Å; L344-R347 CarbonylContact O-C 3.56Å; L344-R347 PolarHBondContact O-N 3.45Å; L344-F348 VanDerWaalsContact O-CB 3.25Å; L344-F348 WeakPolarHBondContact O-CB 3.13Å; L344-F348 PolarHBondContact O-N 3.33Å
345	V	95	Very high	91.5	Very high	17 Å²	17	49.8 Å²	49.8	10%	0.103	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-49.1	178.4	168.5	0	0	0	0	111.4	L61 V64 K65 F341 S342 E343 R347 F348	L61-V345 HydrophobicContact CD2-CB 4.46Å; L61-V345 HydrophobicContact CD2-CG2 3.62Å; V64-V345 HydrophobicContact CB-CG1 4.21Å; V64-V345 HydrophobicContact CB-CG2 4.07Å; V64-V345 HydrophobicContact CG1-CG1 3.83Å; V64-V345 HydrophobicContact CG1-CG2 3.96Å; K65-V345 HydrophobicContact CB-CG1 4.01Å; K65-V345 WeakPolarHBondContact CD-O 3.03Å; F341-V345 HydrophobicContact CD1-CG2 3.94Å; F341-V345 HydrophobicContact CE1-CG2 3.56Å; F341-V345 HydrophobicContact CZ-CG2 4.02Å; F341-V345 VanDerWaalsContact O-CG2 3.29Å; F341-V345 WeakPolarHBondContact O-CG2 3.5Å; F341-V345 PolarHBondContact O-N 3.46Å; S342-V345 PolarHBondContact O-N 3.31Å; E343-V345 VanDerWaalsContact C-N 3.33Å; V345-R347 PolarHBondContact O-N 2.96Å; V345-F348 PolarHBondContact O-N 2.98Å
346	S	92.8	Very high	91.7	Very high	71 Å²	71	53.6 Å²	53.6	50%	0.497	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-36.3	-177.8	66.5	0	0	0	0	111.7	K65 S342 E343	K65-S346 PolarHBondContact NZ-O 3.5Å; S342-S346 PolarHBondContact O-N 3.5Å; S342-S346 VanDerWaalsContact O-N 3.09Å; E343-S346 PolarHBondContact O-OG 3.29Å
347	R	91.3	Very high	91.5	Very high	35 Å²	35	51.8 Å²	51.8	13%	0.132	27%	0.27	C	S	.	.	H	α-helix	trans	-89.3	-10.5	-176.9	-69.2	173.2	177.9	94.2	-7.6	114.7	V320 C321 D323 E343 L344 V345	V320-R347 HydrophobicContact CG1-CB 3.63Å; C321-R347 PolarHBondContact N-O 2.82Å; C321-R347 WeakPolarHBondContact O-CD 3.36Å; C321-R347 PolarHBondContact SG-O 3.05Å; D323-R347 VanDerWaalsContact CG-NH2 3.28Å; D323-R347 IonicContact OD1-CZ 3.3Å; D323-R347 IonicContact OD1-NE 2.63Å; D323-R347 PolarHBondContact OD1-NE 3.22Å; D323-R347 IonicContact OD1-NH2 3.09Å; D323-R347 PolarHBondContact OD1-NH2 3.23Å; D323-R347 IonicContact OD2-CZ 2.79Å; D323-R347 IonicContact OD2-NE 2.73Å; D323-R347 IonicContact OD2-NH2 3.64Å; D323-R347 PolarHBondContact OD2-NH2 3.15Å; E343-R347 VanDerWaalsContact CB-NH1 3.29Å; E343-R347 WeakPolarHBondContact O-CB 2.89Å; E343-R347 WeakPolarHBondContact O-CG 3.25Å; E343-R347 PolarHBondContact O-N 2.99Å; E343-R347 PolarHBondContact O-NH1 2.94Å; E343-R347 IonicContact OE1-NH1 2.67Å; E343-R347 PolarHBondContact OE1-NH1 3.49Å; E343-R347 IonicContact OE1-NH2 3.5Å; L344-R347 CarbonylContact O-C 3.56Å; L344-R347 PolarHBondContact O-N 3.45Å; V345-R347 PolarHBondContact O-N 2.96Å
348	F	93.4	Very high	91.1	Very high	1 Å²	1	51 Å²	51	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130	-174.8	-175.3	-102.1	0	0	0	113.2	F58 L61 F62 K65 G319 V320 L344 V345 L350 I353	F58-F348 HydrophobicContact CB-CE2 4.17Å; F58-F348 HydrophobicContact CB-CZ 3.81Å; F58-F348 HydrophobicContact CD1-CE2 4.01Å; F58-F348 AromaticContact CD2-CE2 3.66Å; F58-F348 HydrophobicContact CD2-CE2 3.66Å; F58-F348 AromaticContact CD2-CZ 3.78Å; F58-F348 HydrophobicContact CD2-CZ 3.78Å; F58-F348 HydrophobicContact CE1-CE2 4.29Å; F58-F348 AromaticContact CE2-CE2 3.99Å; F58-F348 HydrophobicContact CE2-CE2 3.99Å; F58-F348 HydrophobicContact CE2-CZ 4.49Å; F58-F348 AromaticContact CG-CE2 3.69Å; F58-F348 HydrophobicContact CG-CE2 3.69Å; F58-F348 AromaticContact CG-CZ 3.8Å; F58-F348 HydrophobicContact CG-CZ 3.8Å; F58-F348 HydrophobicContact CZ-CE2 4.28Å; L61-F348 HydrophobicContact CB-CB 3.97Å; L61-F348 HydrophobicContact CB-CD1 3.74Å; L61-F348 HydrophobicContact CB-CD2 4.04Å; L61-F348 HydrophobicContact CB-CE1 4.23Å; L61-F348 HydrophobicContact CB-CE2 4.49Å; L61-F348 HydrophobicContact CB-CG 3.62Å; L61-F348 HydrophobicContact CD1-CB 4.24Å; L61-F348 HydrophobicContact CD1-CD2 3.59Å; L61-F348 HydrophobicContact CD1-CE2 4.12Å; L61-F348 HydrophobicContact CD1-CG 3.96Å; L61-F348 HydrophobicContact CG-CD2 4.48Å; L61-F348 HydrophobicContact CG-CG 4.42Å; F62-F348 HydrophobicContact CB-CD1 4.34Å; F62-F348 HydrophobicContact CB-CE1 3.86Å; F62-F348 HydrophobicContact CD2-CE1 4.28Å; K65-F348 WeakPolarHBondContact CD-O 3.1Å; K65-F348 VanDerWaalsContact CE-O 3.25Å; K65-F348 WeakPolarHBondContact CE-O 3.43Å; K65-F348 PolarHBondContact NZ-O 3.4Å; G319-F348 CarbonylContact O-C 3.41Å; G319-F348 VanDerWaalsContact O-CA 3.23Å; G319-F348 WeakPolarHBondContact O-CA 3.12Å; G319-F348 WeakPolarHBondContact O-CD2 3.3Å; V320-F348 HydrophobicContact CG2-CD2 4.1Å; L344-F348 VanDerWaalsContact O-CB 3.25Å; L344-F348 WeakPolarHBondContact O-CB 3.13Å; L344-F348 PolarHBondContact O-N 3.33Å; V345-F348 PolarHBondContact O-N 2.98Å; F348-L350 HydrophobicContact CE1-CD2 3.81Å; F348-L350 HydrophobicContact CE1-CG 4.19Å; F348-L350 HydrophobicContact CZ-CD2 3.75Å; F348-I353 HydrophobicContact CZ-CD1 4.44Å
349	D	92.2	Very high	90.7	Very high	62 Å²	62	54.4 Å²	54.4	33%	0.332	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	127.2	173.1	-169.6	-28.7	0	0	0	110.2	G319 S351 N352	G319-D349 PolarHBondContact O-N 3.29Å; D349-S351 PolarHBondContact O-N 3.24Å; D349-S351 WeakPolarHBondContact OD1-CB 3.5Å; D349-S351 PolarHBondContact OD1-N 2.85Å; D349-S351 PolarHBondContact OD1-OG 2.86Å; D349-S351 PolarHBondContact OD2-OG 2.98Å; D349-N352 HydrophobicContact CB-CB 4.45Å; D349-N352 WeakPolarHBondContact CB-ND2 3.31Å; D349-N352 PolarHBondContact O-N 3.33Å; D349-N352 VanDerWaalsContact O-N 3.11Å
350	L	93	Very high	90.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-31.9	178.9	-68.8	178	0	0	0	112.6	F62 I199 I243 A270 F348 N352 I353	F62-L350 HydrophobicContact CD2-CD1 3.56Å; F62-L350 HydrophobicContact CD2-CD2 4.43Å; F62-L350 HydrophobicContact CD2-CG 3.67Å; F62-L350 HydrophobicContact CE2-CD1 3.4Å; F62-L350 HydrophobicContact CE2-CG 3.87Å; F62-L350 HydrophobicContact CG-CD1 4.21Å; F62-L350 HydrophobicContact CG-CG 4.49Å; F62-L350 HydrophobicContact CZ-CD1 3.94Å; I199-L350 HydrophobicContact CD1-CD1 4.18Å; I199-L350 HydrophobicContact CG2-CB 3.8Å; I243-L350 HydrophobicContact CD1-CD1 4.05Å; I243-L350 HydrophobicContact CD1-CD2 4.06Å; I243-L350 HydrophobicContact CG1-CD1 4.16Å; I243-L350 HydrophobicContact CG1-CD2 4.25Å; I243-L350 HydrophobicContact CG2-CD2 4.24Å; A270-L350 HydrophobicContact CB-CD1 4.14Å; A270-L350 HydrophobicContact CB-CD2 4.45Å; F348-L350 HydrophobicContact CE1-CD2 3.81Å; F348-L350 HydrophobicContact CE1-CG 4.19Å; F348-L350 HydrophobicContact CZ-CD2 3.75Å; L350-N352 PolarHBondContact O-N 3.42Å; L350-I353 HydrophobicContact CD2-CD1 3.7Å; L350-I353 WeakPolarHBondContact O-CB 3.43Å; L350-I353 WeakPolarHBondContact O-CG1 3.44Å; L350-I353 PolarHBondContact O-N 2.98Å
351	S	88.2	Confident	90	Very high	74 Å²	74	53.1 Å²	53.1	52%	0.517	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-18.5	179.9	64.5	0	0	0	0	113.3	D349	D349-S351 PolarHBondContact O-N 3.24Å; D349-S351 WeakPolarHBondContact OD1-CB 3.5Å; D349-S351 PolarHBondContact OD1-N 2.85Å; D349-S351 PolarHBondContact OD1-OG 2.86Å; D349-S351 PolarHBondContact OD2-OG 2.98Å
352	N	88.9	Confident	89.7	Confident	74 Å²	74	51.6 Å²	51.6	40%	0.396	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	10.1	178.5	-66.5	-44.1	0	0	0	113.2	G319 C321 D349 L350	G319-N352 PolarHBondContact N-O 3.31Å; C321-N352 PolarHBondContact SG-ND2 3.42Å; D349-N352 HydrophobicContact CB-CB 4.45Å; D349-N352 WeakPolarHBondContact CB-ND2 3.31Å; D349-N352 PolarHBondContact O-N 3.33Å; D349-N352 VanDerWaalsContact O-N 3.11Å; L350-N352 PolarHBondContact O-N 3.42Å
353	I	91.5	Very high	89.5	Confident	8 Å²	8	52.8 Å²	52.8	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.7	172.1	-63.5	175	0	0	0	109.1	F58 V200 L272 P273 F348 L350	F58-I353 HydrophobicContact CD2-CD1 3.74Å; F58-I353 HydrophobicContact CD2-CG1 4.49Å; F58-I353 HydrophobicContact CE2-CD1 3.83Å; F58-I353 HydrophobicContact CE2-CG1 4.1Å; V200-I353 HydrophobicContact CG1-CB 4.08Å; V200-I353 HydrophobicContact CG1-CG2 3.85Å; V200-I353 HydrophobicContact CG2-CB 4.03Å; V200-I353 HydrophobicContact CG2-CD1 4.24Å; V200-I353 HydrophobicContact CG2-CG2 4.22Å; L272-I353 HydrophobicContact CD2-CD1 3.62Å; P273-I353 VanDerWaalsContact CD-CG2 3.49Å; P273-I353 HydrophobicContact CG-CG2 4.15Å; F348-I353 HydrophobicContact CZ-CD1 4.44Å; L350-I353 HydrophobicContact CD2-CD1 3.7Å; L350-I353 WeakPolarHBondContact O-CB 3.43Å; L350-I353 WeakPolarHBondContact O-CG1 3.44Å; L350-I353 PolarHBondContact O-N 2.98Å
354	N	88.7	Confident	89.4	Confident	64 Å²	64	53.5 Å²	53.5	34%	0.342	28%	0.278	S	S	.	.			trans	-71.5	148.8	178.2	-67.9	-22.2	0	0	0	111.5	P273 G317 H356	P273-N354 VanDerWaalsContact CG-O 3.31Å; P273-N354 WeakPolarHBondContact CG-O 3.34Å; G317-N354 WeakPolarHBondContact O-CB 3.49Å; G317-N354 PolarHBondContact O-N 3.36Å; N354-H356 PolarHBondContact ND2-CE1 3.02Å; N354-H356 PolarHBondContact ND2-NE2 3.12Å
355	R	88.8	Confident	89.4	Confident	162 Å²	162	53.4 Å²	53.4	61%	0.611	28%	0.277	S	S	*	.	S	Bend	trans	-87.5	-18.7	176.9	-61.4	178	-175.1	163	3.7	113.9	V200 Y201	V200-R355 HydrophobicContact CG1-CG 4.35Å; V200-R355 WeakPolarHBondContact O-CG 3.24Å; V200-R355 PolarHBondContact O-NE 3.22Å; Y201-R355 HydrophobicContact CD1-CB 4.21Å; Y201-R355 HydrophobicContact CD1-CG 4.2Å; Y201-R355 HydrophobicContact CE1-CB 3.88Å; Y201-R355 HydrophobicContact CE1-CG 4.29Å; Y201-R355 WeakPolarHBondContact CE1-O 3.48Å; Y201-R355 PolarHBondContact OH-O 3.08Å
356	H	86.8	Confident	89.4	Confident	122 Å²	122	56.4 Å²	56.4	57%	0.565	29%	0.289	S	S	*	.	S	Bend	trans	-82.1	152.5	176.5	56.5	-94.5	0	0	0	110.5	P273 N354	P273-H356 WeakPolarHBondContact CB-O 3.45Å; N354-H356 PolarHBondContact ND2-CE1 3.02Å; N354-H356 PolarHBondContact ND2-NE2 3.12Å
357	N	85.8	Confident	89.5	Confident	63 Å²	63	55.8 Å²	55.8	34%	0.337	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-58.5	143.4	175.1	-67.3	-26.7	0	0	0	110.9	L276	L276-N357 HydrophobicContact CD1-CB 3.4Å; L276-N357 VanDerWaalsContact CD1-CB 3.4Å; L276-N357 HydrophobicContact CG-CB 3.81Å
358	A	83.3	Confident	89.7	Confident	5 Å²	5	54.1 Å²	54.1	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.8	-176.1	0	0	0	0	0	110.8	L274 L275 L276	L274-A358 PolarHBondContact O-N 3.45Å; L275-A358 WeakPolarHBondContact CA-O 3.42Å; L275-A358 HydrophobicContact CD2-CB 4.05Å; L276-A358 PolarHBondContact N-O 2.67Å
359	H	83.4	Confident	89.9	Confident	108 Å²	108	54.1 Å²	54.1	50%	0.5	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.4	176.2	-68.2	-99.1	0	0	0	110.2
360	L	84.1	Confident	90.1	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-76.9	128.7	173.7	-65.9	169.2	0	0	0	109.7	L50 L275 L276 L283 I293 W312 T316	L50-L360 HydrophobicContact CD2-CD1 3.64Å; L50-L360 HydrophobicContact CD2-CD2 3.82Å; L50-L360 HydrophobicContact CD2-CG 4.4Å; L275-L360 HydrophobicContact CB-CD1 4.32Å; L275-L360 HydrophobicContact CB-CG 4.43Å; L275-L360 HydrophobicContact CD1-CD2 4.25Å; L275-L360 HydrophobicContact CD2-CD2 3.91Å; L275-L360 HydrophobicContact CD2-CG 4.44Å; L275-L360 HydrophobicContact CG-CD2 4.49Å; L276-L360 WeakPolarHBondContact O-CB 3.48Å; L276-L360 WeakPolarHBondContact O-CG 3.22Å; L276-L360 PolarHBondContact O-N 2.96Å; L283-L360 HydrophobicContact CD1-CD1 3.37Å; L283-L360 HydrophobicContact CG-CD1 4.3Å; I293-L360 HydrophobicContact CD1-CD1 4.28Å; W312-L360 HydrophobicContact CH2-CD2 3.92Å; W312-L360 HydrophobicContact CZ2-CB 4.01Å; W312-L360 HydrophobicContact CZ2-CD2 3.73Å; W312-L360 HydrophobicContact CZ2-CG 4.38Å; T316-L360 HydrophobicContact CG2-CD2 4.04Å
361	S	86.9	Confident	90.3	Very high	42 Å²	42	56.9 Å²	56.9	29%	0.294	28%	0.282	S	S	.	.			trans	-107.2	116.1	171.2	171.3	0	0	0	0	110	W312 D363 M364 L365	W312-S361 PolarHBondContact NE1-O 3.42Å; S361-D363 VanDerWaalsContact C-N 3.28Å; S361-D363 PolarHBondContact OG-N 3.4Å; S361-M364 PolarHBondContact O-N 3.28Å; S361-M364 WeakPolarHBondContact OG-CG 3.29Å; S361-M364 PolarHBondContact OG-N 3.06Å; S361-M364 VanDerWaalsContact OG-N 3.12Å; S361-L365 PolarHBondContact O-N 2.88Å
362	I	87.9	Confident	90.8	Very high	39 Å²	39	53.5 Å²	53.5	20%	0.2	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-34.7	175.2	-66.2	169.8	0	0	0	110.2	E289 I293 M364 L365 K366	E289-I362 HydrophobicContact CG-CD1 4.21Å; I293-I362 HydrophobicContact CD1-CD1 4.35Å; I293-I362 HydrophobicContact CD1-CG1 3.95Å; I362-M364 VanDerWaalsContact C-N 3.29Å; I362-M364 PolarHBondContact O-N 3.14Å; I362-L365 WeakPolarHBondContact O-CB 3.46Å; I362-L365 PolarHBondContact O-N 2.81Å; I362-L365 VanDerWaalsContact O-N 3.13Å; I362-K366 PolarHBondContact O-N 3.31Å
363	D	90.7	Very high	91.2	Very high	107 Å²	107	50.1 Å²	50.1	57%	0.572	24%	0.24	S	C	*	.	H	α-helix	trans	-63.8	-38.3	176.1	-62.6	-32.7	0	0	0	111	S361 L365 K366 I367	S361-D363 VanDerWaalsContact C-N 3.28Å; S361-D363 PolarHBondContact OG-N 3.4Å; D363-L365 VanDerWaalsContact C-N 3.34Å; D363-L365 PolarHBondContact O-N 3.03Å; D363-K366 WeakPolarHBondContact O-CB 3.31Å; D363-K366 PolarHBondContact O-N 3.19Å; D363-I367 VanDerWaalsContact O-CG1 3.28Å; D363-I367 WeakPolarHBondContact O-CG1 3.22Å; D363-I367 PolarHBondContact O-N 3.23Å
364	M	91.1	Very high	91.5	Very high	58 Å²	58	50.4 Å²	50.4	29%	0.286	24%	0.242	S	C	.	.	H	α-helix	trans	-65.8	-36.3	172.9	-69.4	-56.6	-60.7	0	0	112.7	W335 S361 I362 K366 I367 C368	W335-M364 HydrophobicContact CE3-CE 4.08Å; W335-M364 HydrophobicContact CH2-CE 3.89Å; W335-M364 HydrophobicContact CZ3-CE 3.26Å; S361-M364 PolarHBondContact O-N 3.28Å; S361-M364 WeakPolarHBondContact OG-CG 3.29Å; S361-M364 PolarHBondContact OG-N 3.06Å; S361-M364 VanDerWaalsContact OG-N 3.12Å; I362-M364 VanDerWaalsContact C-N 3.29Å; I362-M364 PolarHBondContact O-N 3.14Å; M364-K366 VanDerWaalsContact C-N 3.32Å; M364-I367 PolarHBondContact O-N 2.87Å; M364-I367 HydrophobicContact SD-CD1 3.94Å; M364-C368 PolarHBondContact O-N 3.1Å; M364-C368 PolarHBondContact O-SG 2.88Å
365	L	93.8	Very high	91.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-43.5	173.3	172.6	60.4	0	0	0	110.8	I293 L299 Y304 V309 W312 S361 I362 D363 C368 G369	I293-L365 HydrophobicContact CG2-CD2 3.89Å; L299-L365 HydrophobicContact CD2-CD2 3.89Å; Y304-L365 HydrophobicContact CD1-CD1 3.85Å; Y304-L365 HydrophobicContact CD1-CD2 4.2Å; Y304-L365 HydrophobicContact CD1-CG 3.96Å; Y304-L365 HydrophobicContact CE1-CD1 4.01Å; Y304-L365 HydrophobicContact CE1-CD2 3.75Å; Y304-L365 HydrophobicContact CE1-CG 3.56Å; Y304-L365 HydrophobicContact CE2-CD2 4.32Å; V309-L365 HydrophobicContact CG2-CD1 4Å; W312-L365 HydrophobicContact CB-CD1 4.28Å; W312-L365 HydrophobicContact CD2-CB 3.83Å; W312-L365 HydrophobicContact CD2-CD1 3.99Å; W312-L365 HydrophobicContact CD2-CG 4.36Å; W312-L365 HydrophobicContact CE3-CB 4.33Å; W312-L365 HydrophobicContact CE3-CD1 3.82Å; W312-L365 HydrophobicContact CE3-CD2 4.39Å; W312-L365 HydrophobicContact CE3-CG 4.4Å; W312-L365 HydrophobicContact CG-CB 4.01Å; W312-L365 HydrophobicContact CG-CD1 4.2Å; W312-L365 HydrophobicContact CH2-CD2 4.23Å; W312-L365 HydrophobicContact CZ2-CB 4.13Å; W312-L365 HydrophobicContact CZ3-CD1 4.36Å; W312-L365 HydrophobicContact CZ3-CD2 4.14Å; S361-L365 PolarHBondContact O-N 2.88Å; I362-L365 WeakPolarHBondContact O-CB 3.46Å; I362-L365 PolarHBondContact O-N 2.81Å; I362-L365 VanDerWaalsContact O-N 3.13Å; D363-L365 VanDerWaalsContact C-N 3.34Å; D363-L365 PolarHBondContact O-N 3.03Å; L365-C368 PolarHBondContact O-N 2.86Å; L365-G369 PolarHBondContact O-N 3.29Å
366	K	94.6	Very high	92.2	Very high	81 Å²	81	43.2 Å²	43.2	35%	0.352	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-44.3	176.1	-75.6	-178.7	-179	180	0	111.9	I362 D363 M364 G369 Q370 H442	I362-K366 PolarHBondContact O-N 3.31Å; D363-K366 WeakPolarHBondContact O-CB 3.31Å; D363-K366 PolarHBondContact O-N 3.19Å; M364-K366 VanDerWaalsContact C-N 3.32Å; K366-G369 WeakPolarHBondContact O-CA 3.47Å; K366-G369 PolarHBondContact O-N 3.29Å; K366-Q370 WeakPolarHBondContact O-CG 3.49Å; K366-Q370 PolarHBondContact O-N 2.96Å; K366-H442 HydrophobicContact CB-CB 4.24Å; K366-H442 HydrophobicContact CG-CB 4.21Å
367	I	95.7	Very high	92.7	Very high	58 Å²	58	37.5 Å²	37.5	30%	0.297	19%	0.19	S	C	.	.	H	α-helix	trans	-60.6	-50.4	175.9	-67.9	165.3	0	0	0	110	P337 D363 M364 G369 Q370 F371	P337-I367 HydrophobicContact CB-CG2 3.68Å; P337-I367 HydrophobicContact CG-CG2 3.87Å; D363-I367 VanDerWaalsContact O-CG1 3.28Å; D363-I367 WeakPolarHBondContact O-CG1 3.22Å; D363-I367 PolarHBondContact O-N 3.23Å; M364-I367 PolarHBondContact O-N 2.87Å; M364-I367 HydrophobicContact SD-CD1 3.94Å; I367-G369 PolarHBondContact O-N 2.91Å; I367-Q370 WeakPolarHBondContact O-CB 3.41Å; I367-Q370 PolarHBondContact O-N 3.49Å; I367-F371 HydrophobicContact CG2-CD2 3.75Å; I367-F371 HydrophobicContact CG2-CE2 3.74Å; I367-F371 WeakPolarHBondContact O-CD2 3.18Å; I367-F371 PolarHBondContact O-N 3.39Å
368	C	95.7	Very high	93.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.5	-44.4	173.7	-67.9	0	0	0	0	111.7	A308 W312 W335 M364 L365 Q370 F371 H372	A308-C368 HydrophobicContact CB-CB 3.91Å; A308-C368 WeakPolarHBondContact O-CB 3.3Å; W312-C368 HydrophobicContact CB-CB 4.32Å; W335-C368 VanDerWaalsContact CH2-SG 3.51Å; M364-C368 PolarHBondContact O-N 3.1Å; M364-C368 PolarHBondContact O-SG 2.88Å; L365-C368 PolarHBondContact O-N 2.86Å; C368-Q370 PolarHBondContact O-N 3.18Å; C368-F371 PolarHBondContact O-N 3.17Å; C368-H372 WeakPolarHBondContact O-CB 3.33Å; C368-H372 PolarHBondContact O-CD2 2.96Å; C368-H372 PolarHBondContact O-N 3Å
369	G	97	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-52	-52.4	176.5	0	0	0	0	0	112.6	L365 K366 I367 F373 H442	L365-G369 PolarHBondContact O-N 3.29Å; K366-G369 WeakPolarHBondContact O-CA 3.47Å; K366-G369 PolarHBondContact O-N 3.29Å; I367-G369 PolarHBondContact O-N 2.91Å; G369-F373 VanDerWaalsContact O-CB 3.24Å; G369-F373 WeakPolarHBondContact O-CB 3.22Å; G369-F373 PolarHBondContact O-N 2.98Å; G369-H442 CarbonylContact C-O 3.47Å; G369-H442 WeakPolarHBondContact CA-O 3.27Å
370	Q	97	Very high	94.4	Very high	36 Å²	36	36.1 Å²	36.1	17%	0.168	19%	0.187	C	C	.	.	H	α-helix	trans	-56.5	-53.9	176.9	-68.6	166.4	-4.3	0	0	112.1	K366 I367 C368 H372 F373 D374 C439 V441 H442	K366-Q370 WeakPolarHBondContact O-CG 3.49Å; K366-Q370 PolarHBondContact O-N 2.96Å; I367-Q370 WeakPolarHBondContact O-CB 3.41Å; I367-Q370 PolarHBondContact O-N 3.49Å; C368-Q370 PolarHBondContact O-N 3.18Å; Q370-H372 PolarHBondContact O-N 2.74Å; Q370-F373 PolarHBondContact O-N 3.04Å; Q370-D374 WeakPolarHBondContact O-CB 3.47Å; Q370-D374 PolarHBondContact O-N 2.95Å; Q370-C439 PolarHBondContact NE2-O 3.41Å; Q370-V441 VanDerWaalsContact CA-O 3.27Å; Q370-V441 WeakPolarHBondContact CA-O 3.35Å; Q370-H442 VanDerWaalsContact CG-CD2 3.48Å; Q370-H442 WeakPolarHBondContact CG-CD2 3.39Å; Q370-H442 PolarHBondContact NE2-CD2 2.9Å; Q370-H442 PolarHBondContact NE2-NE2 2.71Å
371	F	97.1	Very high	94.9	Very high	88 Å²	88	36.8 Å²	36.8	39%	0.386	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-43.6	-175.5	-87	-86.7	0	0	0	112.3	P337 D338 I367 C368 K375	P337-F371 HydrophobicContact CB-CB 4.41Å; P337-F371 HydrophobicContact CB-CD2 3.75Å; P337-F371 HydrophobicContact CB-CE2 4.27Å; P337-F371 HydrophobicContact CB-CG 4.16Å; P337-F371 HydrophobicContact CG-CB 4.44Å; P337-F371 HydrophobicContact CG-CD1 4.18Å; P337-F371 HydrophobicContact CG-CD2 3.3Å; P337-F371 HydrophobicContact CG-CE1 4.25Å; P337-F371 HydrophobicContact CG-CE2 3.39Å; P337-F371 HydrophobicContact CG-CG 3.72Å; P337-F371 HydrophobicContact CG-CZ 3.88Å; D338-F371 HydrophobicContact CB-CB 3.9Å; D338-F371 HydrophobicContact CB-CD1 3.9Å; D338-F371 HydrophobicContact CB-CG 4.21Å; I367-F371 HydrophobicContact CG2-CD2 3.75Å; I367-F371 HydrophobicContact CG2-CE2 3.74Å; I367-F371 WeakPolarHBondContact O-CD2 3.18Å; I367-F371 PolarHBondContact O-N 3.39Å; C368-F371 PolarHBondContact O-N 3.17Å; F371-K375 WeakPolarHBondContact O-CB 3.32Å; F371-K375 PolarHBondContact O-N 3.28Å
372	H	97.5	Very high	95.2	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.019	20%	0.2	C	C	.	.	H	α-helix	trans	-71.5	-36	179.3	-77.9	-97.3	0	0	0	112.3	M305 S307 A308 P337 F339 C368 Q370 A376	M305-H372 HydrophobicContact CE-CB 4.38Å; M305-H372 HydrophobicContact SD-CB 3.96Å; S307-H372 WeakPolarHBondContact CB-ND1 3.47Å; S307-H372 PolarHBondContact OG-ND1 2.84Å; S307-H372 VanDerWaalsContact OG-ND1 3.13Å; A308-H372 HydrophobicContact CB-CB 3.94Å; P337-H372 PolarHBondContact O-CD2 3.03Å; P337-H372 PolarHBondContact O-NE2 3.03Å; F339-H372 PolarHBondContact O-CE1 3.42Å; F339-H372 VanDerWaalsContact O-CE1 3.3Å; C368-H372 WeakPolarHBondContact O-CB 3.33Å; C368-H372 PolarHBondContact O-CD2 2.96Å; C368-H372 PolarHBondContact O-N 3Å; Q370-H372 PolarHBondContact O-N 2.74Å; H372-A376 WeakPolarHBondContact O-CB 3.42Å; H372-A376 PolarHBondContact O-N 3.35Å
373	F	97.7	Very high	95.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-51.2	175.9	-174.9	-91.1	0	0	0	111.1	M305 G369 Q370 K375 A376 V377 I401 I405 L434 V441 L444 L447	M305-F373 WeakPolarHBondContact SD-CA 3.41Å; M305-F373 HydrophobicContact SD-CB 3.93Å; M305-F373 HydrophobicContact SD-CD2 4.35Å; M305-F373 PolarHBondContact SD-N 3.42Å; G369-F373 VanDerWaalsContact O-CB 3.24Å; G369-F373 WeakPolarHBondContact O-CB 3.22Å; G369-F373 PolarHBondContact O-N 2.98Å; Q370-F373 PolarHBondContact O-N 3.04Å; F373-K375 VanDerWaalsContact C-N 3.28Å; F373-K375 PolarHBondContact O-N 3.18Å; F373-A376 PolarHBondContact O-N 3.47Å; F373-A376 VanDerWaalsContact O-N 3.12Å; F373-V377 HydrophobicContact CD1-CG2 3.97Å; F373-V377 HydrophobicContact CE1-CG2 3.56Å; F373-V377 HydrophobicContact CE2-CG2 4.46Å; F373-V377 HydrophobicContact CZ-CG2 3.83Å; F373-V377 WeakPolarHBondContact O-CG2 3.39Å; F373-V377 PolarHBondContact O-N 3.14Å; F373-I401 HydrophobicContact CD2-CD1 4.33Å; F373-I401 HydrophobicContact CE2-CD1 4.21Å; F373-I405 HydrophobicContact CE2-CD1 4.05Å; F373-I405 HydrophobicContact CZ-CD1 4.1Å; F373-L434 HydrophobicContact CZ-CD2 4.17Å; F373-V441 HydrophobicContact CD1-CB 3.63Å; F373-V441 HydrophobicContact CD1-CG1 3.82Å; F373-V441 HydrophobicContact CD1-CG2 4.28Å; F373-V441 HydrophobicContact CD2-CG1 3.83Å; F373-V441 HydrophobicContact CE1-CB 3.72Å; F373-V441 HydrophobicContact CE1-CG1 3.8Å; F373-V441 HydrophobicContact CE1-CG2 3.89Å; F373-V441 HydrophobicContact CE2-CG1 3.83Å; F373-V441 HydrophobicContact CG-CB 4.07Å; F373-V441 HydrophobicContact CG-CG1 3.83Å; F373-V441 HydrophobicContact CZ-CB 4.24Å; F373-V441 HydrophobicContact CZ-CG1 3.81Å; F373-V441 HydrophobicContact CZ-CG2 4.38Å; F373-L444 HydrophobicContact CE2-CD2 4.02Å; F373-L447 HydrophobicContact CE2-CD1 4.27Å; F373-L447 HydrophobicContact CZ-CD1 4.15Å
374	D	97.5	Very high	95.4	Very high	14 Å²	14	35.7 Å²	35.7	8%	0.075	18%	0.177	C	C	.	.	H	α-helix	trans	-56.8	-44.2	177.9	-72.2	-10.4	0	0	0	111	Q370 V377 N378 K438 C439	Q370-D374 WeakPolarHBondContact O-CB 3.47Å; Q370-D374 PolarHBondContact O-N 2.95Å; D374-V377 PolarHBondContact O-N 2.91Å; D374-N378 WeakPolarHBondContact O-CB 3.4Å; D374-N378 PolarHBondContact O-N 2.98Å; D374-N378 PolarHBondContact O-ND2 3.01Å; D374-K438 WeakPolarHBondContact OD1-CA 3.27Å; D374-K438 VanDerWaalsContact OD2-CG 3.26Å; D374-K438 WeakPolarHBondContact OD2-CG 3.2Å; D374-C439 PolarHBondContact OD1-N 3.05Å; D374-C439 PolarHBondContact OD2-N 3.4Å; D374-C439 PolarHBondContact OD2-SG 3.05Å
375	K	96.2	Very high	95.3	Very high	53 Å²	53	35.4 Å²	35.4	23%	0.23	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-43.8	177.6	-170.1	178.5	-168.5	-178.4	0	112	D338 E340 F371 F373 N378 N379	D338-K375 PolarHBondContact O-NZ 3.08Å; E340-K375 WeakPolarHBondContact OE1-CD 3.39Å; E340-K375 WeakPolarHBondContact OE1-CE 3.4Å; E340-K375 IonicContact OE1-NZ 3.77Å; E340-K375 PolarHBondContact OE1-NZ 2.99Å; F371-K375 WeakPolarHBondContact O-CB 3.32Å; F371-K375 PolarHBondContact O-N 3.28Å; F373-K375 VanDerWaalsContact C-N 3.28Å; F373-K375 PolarHBondContact O-N 3.18Å; K375-N378 PolarHBondContact O-N 3.41Å; K375-N379 WeakPolarHBondContact O-CB 3.43Å; K375-N379 PolarHBondContact O-N 2.88Å; K375-N379 PolarHBondContact O-ND2 3.46Å
376	A	96.9	Very high	95	Very high	23 Å²	23	40.6 Å²	40.6	19%	0.19	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-42.4	177.3	0	0	0	0	0	112.3	M305 H372 F373 A380 I401	M305-A376 HydrophobicContact CE-CB 3.78Å; H372-A376 WeakPolarHBondContact O-CB 3.42Å; H372-A376 PolarHBondContact O-N 3.35Å; F373-A376 PolarHBondContact O-N 3.47Å; F373-A376 VanDerWaalsContact O-N 3.12Å; A376-A380 WeakPolarHBondContact O-CB 3.12Å; A376-A380 PolarHBondContact O-N 3.45Å; A376-I401 HydrophobicContact CB-CB 4.25Å; A376-I401 HydrophobicContact CB-CD1 4.16Å; A376-I401 HydrophobicContact CB-CG1 4.08Å
377	V	97.4	Very high	94.5	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-45.6	175.6	171.3	0	0	0	0	111.1	F373 D374 A380 L381 I401 L431 L434 H435	F373-V377 HydrophobicContact CD1-CG2 3.97Å; F373-V377 HydrophobicContact CE1-CG2 3.56Å; F373-V377 HydrophobicContact CE2-CG2 4.46Å; F373-V377 HydrophobicContact CZ-CG2 3.83Å; F373-V377 WeakPolarHBondContact O-CG2 3.39Å; F373-V377 PolarHBondContact O-N 3.14Å; D374-V377 PolarHBondContact O-N 2.91Å; V377-A380 PolarHBondContact O-N 2.85Å; V377-L381 WeakPolarHBondContact O-CB 3.49Å; V377-L381 PolarHBondContact O-N 3.4Å; V377-I401 HydrophobicContact CG2-CG1 4.36Å; V377-L431 HydrophobicContact CG1-CD2 4.27Å; V377-L434 HydrophobicContact CG1-CB 3.83Å; V377-L434 HydrophobicContact CG2-CB 4.11Å; V377-L434 HydrophobicContact CG2-CD1 4.37Å; V377-H435 HydrophobicContact CG1-CB 4.34Å
378	N	96.7	Very high	93.8	Very high	43 Å²	43	39.9 Å²	39.9	23%	0.23	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-44.9	179.5	-67.9	-27	0	0	0	111.9	D374 K375 A380 L381 D382 H435	D374-N378 WeakPolarHBondContact O-CB 3.4Å; D374-N378 PolarHBondContact O-N 2.98Å; D374-N378 PolarHBondContact O-ND2 3.01Å; K375-N378 PolarHBondContact O-N 3.41Å; N378-A380 VanDerWaalsContact C-N 3.3Å; N378-A380 PolarHBondContact O-N 3.49Å; N378-L381 WeakPolarHBondContact O-CB 3.37Å; N378-L381 PolarHBondContact O-N 3.43Å; N378-D382 PolarHBondContact O-N 3.06Å; N378-H435 PolarHBondContact OD1-CE1 2.71Å; N378-H435 PolarHBondContact OD1-ND1 2.82Å
379	N	96	Very high	93.1	Very high	96 Å²	96	48 Å²	48	51%	0.513	23%	0.233	S	C	.	.	H	α-helix	trans	-61.2	-39.8	176.4	-70.2	-14.2	0	0	0	111.8	K375 Y383	K375-N379 WeakPolarHBondContact O-CB 3.43Å; K375-N379 PolarHBondContact O-N 2.88Å; K375-N379 PolarHBondContact O-ND2 3.46Å; N379-Y383 WeakPolarHBondContact O-CB 3.39Å; N379-Y383 PolarHBondContact O-N 2.94Å; N379-Y383 VanDerWaalsContact O-N 3.08Å
380	A	95.6	Very high	92.3	Very high	7 Å²	7	52 Å²	52	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-39.8	175.9	0	0	0	0	0	112.1	A376 V377 N378 Y383 C384 P399 I401 L431	A376-A380 WeakPolarHBondContact O-CB 3.12Å; A376-A380 PolarHBondContact O-N 3.45Å; V377-A380 PolarHBondContact O-N 2.85Å; N378-A380 VanDerWaalsContact C-N 3.3Å; N378-A380 PolarHBondContact O-N 3.49Å; A380-Y383 WeakPolarHBondContact O-CB 3.39Å; A380-Y383 PolarHBondContact O-N 3.29Å; A380-C384 PolarHBondContact O-N 3.17Å; A380-C384 PolarHBondContact O-SG 3.01Å; A380-C384 VanDerWaalsContact O-SG 3.34Å; A380-P399 HydrophobicContact CB-CB 3.56Å; A380-P399 HydrophobicContact CB-CG 3.9Å; A380-I401 HydrophobicContact CB-CG2 3.56Å; A380-L431 HydrophobicContact CB-CD1 3.95Å; A380-L431 HydrophobicContact CB-CD2 3.59Å; A380-L431 HydrophobicContact CB-CG 4.44Å
381	L	94.5	Very high	90.7	Very high	19 Å²	19	54.7 Å²	54.7	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-48.2	176.2	-179.5	61.5	0	0	0	111.2	V377 N378 Y383 C384 I385 L428 L431 R432 H435	V377-L381 WeakPolarHBondContact O-CB 3.49Å; V377-L381 PolarHBondContact O-N 3.4Å; N378-L381 WeakPolarHBondContact O-CB 3.37Å; N378-L381 PolarHBondContact O-N 3.43Å; L381-Y383 VanDerWaalsContact C-N 3.32Å; L381-Y383 PolarHBondContact O-N 3.22Å; L381-C384 PolarHBondContact O-N 2.96Å; L381-I385 HydrophobicContact CD1-CD1 4.03Å; L381-I385 HydrophobicContact CD1-CG1 4.4Å; L381-I385 HydrophobicContact CG-CD1 3.93Å; L381-I385 VanDerWaalsContact O-CG1 3.32Å; L381-I385 WeakPolarHBondContact O-CG1 2.98Å; L381-I385 PolarHBondContact O-N 3.22Å; L381-L428 HydrophobicContact CD1-CD1 3.57Å; L381-L431 HydrophobicContact CB-CB 4.37Å; L381-L431 HydrophobicContact CD1-CB 4.03Å; L381-R432 HydrophobicContact CD1-CG 4.08Å; L381-H435 HydrophobicContact CD2-CB 4.24Å
382	D	93.5	Very high	89.2	Confident	94 Å²	94	58.2 Å²	58.2	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-59.4	-43.4	176.6	-73.9	-20.6	0	0	0	111.4	N378 I385 M386	N378-D382 PolarHBondContact O-N 3.06Å; D382-I385 PolarHBondContact O-N 3.14Å; D382-M386 WeakPolarHBondContact O-CB 3.25Å; D382-M386 VanDerWaalsContact O-CG 3.3Å; D382-M386 WeakPolarHBondContact O-CG 3.41Å; D382-M386 PolarHBondContact O-N 3.46Å
383	Y	92.3	Very high	87.6	Confident	71 Å²	71	65.3 Å²	65.3	28%	0.278	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-49.3	174.7	169.4	-95.1	0	0	0	112.3	N379 A380 L381 M386 H387 Y396 K397 P399	N379-Y383 WeakPolarHBondContact O-CB 3.39Å; N379-Y383 PolarHBondContact O-N 2.94Å; N379-Y383 VanDerWaalsContact O-N 3.08Å; A380-Y383 WeakPolarHBondContact O-CB 3.39Å; A380-Y383 PolarHBondContact O-N 3.29Å; L381-Y383 VanDerWaalsContact C-N 3.32Å; L381-Y383 PolarHBondContact O-N 3.22Å; Y383-M386 PolarHBondContact O-N 3.31Å; Y383-H387 AromaticContact CD2-CD2 3.63Å; Y383-H387 AromaticContact CD2-NE2 3.86Å; Y383-H387 AromaticContact CE1-CD2 3.81Å; Y383-H387 AromaticContact CE2-CD2 3.16Å; Y383-H387 WeakPolarHBondContact CE2-CD2 3.25Å; Y383-H387 AromaticContact CE2-NE2 2.98Å; Y383-H387 WeakPolarHBondContact CE2-NE2 3.25Å; Y383-H387 AromaticContact CZ-CD2 3.24Å; Y383-H387 AromaticContact CZ-NE2 3.17Å; Y383-H387 PolarHBondContact O-CD2 2.93Å; Y383-H387 PolarHBondContact O-N 3.35Å; Y383-H387 PolarHBondContact OH-NE2 2.9Å; Y383-Y396 HydrophobicContact CD1-CE2 4.34Å; Y383-Y396 HydrophobicContact CE1-CD2 4.05Å; Y383-Y396 AromaticContact CE1-CE2 3.62Å; Y383-Y396 HydrophobicContact CE1-CE2 3.62Å; Y383-K397 VanDerWaalsContact CE1-O 3.24Å; Y383-K397 WeakPolarHBondContact CE1-O 3.23Å; Y383-K397 PolarHBondContact OH-N 3.16Å; Y383-K397 PolarHBondContact OH-O 3.32Å; Y383-P399 HydrophobicContact CD1-CG 3.84Å; Y383-P399 HydrophobicContact CE1-CG 4.19Å
384	C	90	Very high	86.5	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-64	-42.1	179.5	-68.6	0	0	0	0	112.1	A380 L381 M386 H387 Q388 Y396 L428 L431	A380-C384 PolarHBondContact O-N 3.17Å; A380-C384 PolarHBondContact O-SG 3.01Å; A380-C384 VanDerWaalsContact O-SG 3.34Å; L381-C384 PolarHBondContact O-N 2.96Å; C384-M386 PolarHBondContact O-N 2.83Å; C384-H387 PolarHBondContact O-N 3.03Å; C384-Q388 PolarHBondContact O-N 3.37Å; C384-Y396 PolarHBondContact SG-OH 2.84Å; C384-L428 HydrophobicContact CB-CB 4.44Å; C384-L428 HydrophobicContact CB-CD1 4.16Å; C384-L431 HydrophobicContact CB-CD1 4.26Å; C384-L431 WeakPolarHBondContact SG-CD1 3.31Å
385	I	89	Confident	85.8	Confident	51 Å²	51	74.4 Å²	74.4	26%	0.262	39%	0.387	S	S	.	.	H	α-helix	trans	-63.1	-42.7	177.2	-68.5	169.2	0	0	0	111	L381 D382 Q388 K389 L428	L381-I385 HydrophobicContact CD1-CD1 4.03Å; L381-I385 HydrophobicContact CD1-CG1 4.4Å; L381-I385 HydrophobicContact CG-CD1 3.93Å; L381-I385 VanDerWaalsContact O-CG1 3.32Å; L381-I385 WeakPolarHBondContact O-CG1 2.98Å; L381-I385 PolarHBondContact O-N 3.22Å; D382-I385 PolarHBondContact O-N 3.14Å; I385-Q388 PolarHBondContact O-N 3.36Å; I385-K389 WeakPolarHBondContact O-CG 3.34Å; I385-K389 PolarHBondContact O-N 3.46Å; I385-L428 HydrophobicContact CG1-CD1 3.74Å
386	M	86.6	Confident	85.4	Confident	110 Å²	110	74.1 Å²	74.1	54%	0.542	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-45.1	176.9	-76.5	-175.5	59.9	0	0	111.7	D382 Y383 C384 Q388 K389 Q390	D382-M386 WeakPolarHBondContact O-CB 3.25Å; D382-M386 VanDerWaalsContact O-CG 3.3Å; D382-M386 WeakPolarHBondContact O-CG 3.41Å; D382-M386 PolarHBondContact O-N 3.46Å; Y383-M386 PolarHBondContact O-N 3.31Å; C384-M386 PolarHBondContact O-N 2.83Å; M386-Q388 PolarHBondContact O-N 3.06Å; M386-K389 PolarHBondContact O-N 3.29Å; M386-Q390 PolarHBondContact O-N 3.29Å
387	H	84.7	Confident	85	Confident	26 Å²	26	79.6 Å²	79.6	12%	0.12	40%	0.404	C	S	.	.	H	α-helix	trans	-62.7	-39.9	177.5	-94.5	-85.6	0	0	0	112.9	Y383 C384 K389 Q390 S391 T394 Y396	Y383-H387 AromaticContact CD2-CD2 3.63Å; Y383-H387 AromaticContact CD2-NE2 3.86Å; Y383-H387 AromaticContact CE1-CD2 3.81Å; Y383-H387 AromaticContact CE2-CD2 3.16Å; Y383-H387 WeakPolarHBondContact CE2-CD2 3.25Å; Y383-H387 AromaticContact CE2-NE2 2.98Å; Y383-H387 WeakPolarHBondContact CE2-NE2 3.25Å; Y383-H387 AromaticContact CZ-CD2 3.24Å; Y383-H387 AromaticContact CZ-NE2 3.17Å; Y383-H387 PolarHBondContact O-CD2 2.93Å; Y383-H387 PolarHBondContact O-N 3.35Å; Y383-H387 PolarHBondContact OH-NE2 2.9Å; C384-H387 PolarHBondContact O-N 3.03Å; H387-K389 VanDerWaalsContact C-N 3.26Å; H387-K389 PolarHBondContact O-N 3.15Å; H387-Q390 CarbonylContact O-C 3.59Å; H387-Q390 PolarHBondContact O-N 3.37Å; H387-S391 WeakPolarHBondContact O-CA 3.29Å; H387-S391 PolarHBondContact O-N 3.49Å; H387-T394 PolarHBondContact CE1-OG1 3.24Å; H387-T394 PolarHBondContact ND1-OG1 3.41Å; H387-Y396 HydrophobicContact CB-CD2 4.12Å
388	Q	81.2	Confident	84.7	Confident	97 Å²	97	80.3 Å²	80.3	45%	0.453	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-37	177.3	-167.6	179.3	17.3	0	0	112	C384 I385 M386 Q390	C384-Q388 PolarHBondContact O-N 3.37Å; I385-Q388 PolarHBondContact O-N 3.36Å; M386-Q388 PolarHBondContact O-N 3.06Å; Q388-Q390 VanDerWaalsContact C-N 3.33Å
389	K	81.3	Confident	84.6	Confident	172 Å²	172	78.9 Å²	78.9	75%	0.748	40%	0.402	S	S	*	.	H	α-helix	trans	-73.2	-23.7	176.1	-67.2	175.2	-177.4	175.8	0	113.3	I385 M386 H387	I385-K389 WeakPolarHBondContact O-CG 3.34Å; I385-K389 PolarHBondContact O-N 3.46Å; M386-K389 PolarHBondContact O-N 3.29Å; H387-K389 VanDerWaalsContact C-N 3.26Å; H387-K389 PolarHBondContact O-N 3.15Å
390	Q	79	Confident	84.5	Confident	84 Å²	84	81.6 Å²	81.6	39%	0.393	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	20.3	-173.8	-64.3	-177.5	-7.8	0	0	113.5	M386 H387 Q388 N392 Q393	M386-Q390 PolarHBondContact O-N 3.29Å; H387-Q390 CarbonylContact O-C 3.59Å; H387-Q390 PolarHBondContact O-N 3.37Å; Q388-Q390 VanDerWaalsContact C-N 3.33Å; Q390-N392 PolarHBondContact O-N 3.39Å; Q390-Q393 PolarHBondContact O-N 3.44Å
391	S	64.7	Low	84.4	Confident	91 Å²	91	82 Å²	82	64%	0.636	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.9	-20.7	-167.1	-178	0	0	0	0	117.1	H387	H387-S391 WeakPolarHBondContact O-CA 3.29Å; H387-S391 PolarHBondContact O-N 3.49Å
392	N	64.3	Low	84.4	Confident	162 Å²	162	81.4 Å²	81.4	87%	0.866	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-0.2	-179.2	-68.6	-6.8	0	0	0	115	Q390	Q390-N392 PolarHBondContact O-N 3.39Å
393	Q	64.7	Low	84.4	Confident	153 Å²	153	79.9 Å²	79.9	72%	0.715	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-18.6	-168.8	-66.1	-176.9	-1.2	0	0	115.6	Q390	Q390-Q393 PolarHBondContact O-N 3.44Å
394	T	74.3	Confident	84.5	Confident	70 Å²	70	79.1 Å²	79.1	43%	0.429	40%	0.402	S	S	.	.	S	Bend	trans	-145	142.2	-171.1	50.5	0	0	0	0	112.7	H387 Y396	H387-T394 PolarHBondContact CE1-OG1 3.24Å; H387-T394 PolarHBondContact ND1-OG1 3.41Å; T394-Y396 PolarHBondContact O-N 2.7Å
395	T	83.6	Confident	84.8	Confident	137 Å²	137	79.2 Å²	79.2	84%	0.84	40%	0.403	S	S	*	.			trans	-68.2	123.7	171.8	-52.8	0	0	0	0	109.5
396	Y	86.3	Confident	84.9	Confident	47 Å²	47	77.9 Å²	77.9	18%	0.184	40%	0.395	C	S	.	.			trans	-75.3	137.7	176	-178.9	-102.6	0	0	0	111	Y383 C384 H387 T394 P399 A424 D427	Y383-Y396 HydrophobicContact CD1-CE2 4.34Å; Y383-Y396 HydrophobicContact CE1-CD2 4.05Å; Y383-Y396 AromaticContact CE1-CE2 3.62Å; Y383-Y396 HydrophobicContact CE1-CE2 3.62Å; C384-Y396 PolarHBondContact SG-OH 2.84Å; H387-Y396 HydrophobicContact CB-CD2 4.12Å; T394-Y396 PolarHBondContact O-N 2.7Å; Y396-P399 WeakPolarHBondContact OH-CD 3.34Å; Y396-A424 HydrophobicContact CD1-CB 4.28Å; Y396-A424 HydrophobicContact CD2-CB 3.74Å; Y396-A424 HydrophobicContact CE1-CB 4.17Å; Y396-A424 HydrophobicContact CE2-CB 3.59Å; Y396-A424 HydrophobicContact CG-CB 4.08Å; Y396-A424 VanDerWaalsContact CZ-CA 3.48Å; Y396-D427 VanDerWaalsContact CE1-OD2 3.29Å; Y396-D427 WeakPolarHBondContact CE1-OD2 3.22Å; Y396-D427 VanDerWaalsContact CZ-OD2 3.3Å; Y396-D427 WeakPolarHBondContact OH-CB 3.48Å; Y396-D427 VanDerWaalsContact OH-CG 3.23Å; Y396-D427 PolarHBondContact OH-OD2 3.04Å
397	K	89.3	Confident	85.2	Confident	138 Å²	138	77.5 Å²	77.5	60%	0.6	39%	0.392	S	S	*	.			trans	-130.4	134.7	169.5	-170.9	-173	174	-169.2	0	109	Y383	Y383-K397 VanDerWaalsContact CE1-O 3.24Å; Y383-K397 WeakPolarHBondContact CE1-O 3.23Å; Y383-K397 PolarHBondContact OH-N 3.16Å; Y383-K397 PolarHBondContact OH-O 3.32Å
398	T	90.9	Very high	85.7	Confident	17 Å²	17	77.4 Å²	77.4	10%	0.104	39%	0.391	C	S	.	.			trans	-52.5	129.5	173.5	-54.4	0	0	0	0	110.4	L402 E403 S421 D427	T398-L402 HydrophobicContact CG2-CB 3.89Å; T398-L402 HydrophobicContact CG2-CD1 4.42Å; T398-E403 HydrophobicContact CG2-CG 3.97Å; T398-S421 PolarHBondContact OG1-O 3.14Å; T398-D427 PolarHBondContact OG1-OD2 3.1Å
399	P	94.1	Very high	86.3	Confident	14 Å²	14	72.9 Å²	72.9	9%	0.091	37%	0.37	C	S	.	.			trans	-58.9	142	176.7	-28.2	35.3	0	0	0	112.9	A380 Y383 Y396 I401 L402 E403 L431	A380-P399 HydrophobicContact CB-CB 3.56Å; A380-P399 HydrophobicContact CB-CG 3.9Å; Y383-P399 HydrophobicContact CD1-CG 3.84Å; Y383-P399 HydrophobicContact CE1-CG 4.19Å; Y396-P399 WeakPolarHBondContact OH-CD 3.34Å; P399-I401 HydrophobicContact CB-CG2 4.26Å; P399-I401 PolarHBondContact O-N 3.33Å; P399-I401 VanDerWaalsContact O-N 3.12Å; P399-L402 PolarHBondContact O-N 2.94Å; P399-E403 PolarHBondContact O-N 3.11Å; P399-E403 VanDerWaalsContact O-N 3.16Å; P399-L431 HydrophobicContact CG-CD1 4.41Å
400	Q	93.6	Very high	86.8	Confident	153 Å²	153	68.9 Å²	68.9	72%	0.715	35%	0.354	S	S	*	.	H	α-helix	trans	-55.4	-35.1	-177.6	-175.6	-179.7	1.8	0	0	113.5	L402 E403 T404	Q400-L402 VanDerWaalsContact C-N 3.32Å; Q400-L402 PolarHBondContact O-N 2.84Å; Q400-E403 PolarHBondContact O-N 2.95Å; Q400-T404 WeakPolarHBondContact O-CB 3.29Å; Q400-T404 PolarHBondContact O-N 3.08Å; Q400-T404 PolarHBondContact O-OG1 3.3Å
401	I	95.3	Very high	87.4	Confident	16 Å²	16	69.5 Å²	69.5	8%	0.082	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-37.8	177.9	-173.3	57.7	0	0	0	111.8	F373 A376 V377 A380 P399 T404 I405 L431	F373-I401 HydrophobicContact CD2-CD1 4.33Å; F373-I401 HydrophobicContact CE2-CD1 4.21Å; A376-I401 HydrophobicContact CB-CB 4.25Å; A376-I401 HydrophobicContact CB-CD1 4.16Å; A376-I401 HydrophobicContact CB-CG1 4.08Å; V377-I401 HydrophobicContact CG2-CG1 4.36Å; A380-I401 HydrophobicContact CB-CG2 3.56Å; P399-I401 HydrophobicContact CB-CG2 4.26Å; P399-I401 PolarHBondContact O-N 3.33Å; P399-I401 VanDerWaalsContact O-N 3.12Å; I401-T404 PolarHBondContact O-N 3.23Å; I401-I405 HydrophobicContact CD1-CD1 4.27Å; I401-I405 HydrophobicContact CD1-CG1 4.48Å; I401-I405 HydrophobicContact CG1-CD1 3.98Å; I401-I405 WeakPolarHBondContact O-CB 3.21Å; I401-I405 WeakPolarHBondContact O-CD1 3.33Å; I401-I405 WeakPolarHBondContact O-CG1 3.32Å; I401-I405 PolarHBondContact O-N 3.02Å; I401-L431 HydrophobicContact CG2-CD2 4.37Å
402	L	94.7	Very high	88.8	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.026	36%	0.356	C	S	.	.	H	α-helix	trans	-70.7	-44	175.8	-66.8	-173.8	0	0	0	111	T398 P399 Q400 T404 I405 E406 D427 V430 L431 L434	T398-L402 HydrophobicContact CG2-CB 3.89Å; T398-L402 HydrophobicContact CG2-CD1 4.42Å; P399-L402 PolarHBondContact O-N 2.94Å; Q400-L402 VanDerWaalsContact C-N 3.32Å; Q400-L402 PolarHBondContact O-N 2.84Å; L402-T404 PolarHBondContact O-N 2.84Å; L402-I405 PolarHBondContact O-N 2.82Å; L402-E406 WeakPolarHBondContact O-CB 3.35Å; L402-E406 WeakPolarHBondContact O-CG 3.29Å; L402-E406 PolarHBondContact O-N 3.26Å; L402-D427 HydrophobicContact CD1-CB 3.5Å; L402-D427 VanDerWaalsContact CD1-CB 3.5Å; L402-V430 HydrophobicContact CD2-CB 4.41Å; L402-V430 HydrophobicContact CD2-CG1 3.77Å; L402-L431 HydrophobicContact CD1-CD1 4.05Å; L402-L431 HydrophobicContact CD1-CD2 4.39Å; L402-L431 HydrophobicContact CD1-CG 3.97Å; L402-L431 HydrophobicContact CD2-CD2 3.84Å; L402-L431 HydrophobicContact CD2-CG 4.05Å; L402-L431 HydrophobicContact CG-CD2 4.08Å; L402-L431 HydrophobicContact CG-CG 4.21Å; L402-L434 HydrophobicContact CD2-CD1 3.9Å
403	E	93.2	Very high	90	Very high	62 Å²	62	61.7 Å²	61.7	29%	0.29	32%	0.319	S	S	.	.	H	α-helix	trans	-55.2	-43.9	174.1	-65.6	-179.8	159.2	0	0	110.7	T398 P399 Q400 E406 E407	T398-E403 HydrophobicContact CG2-CG 3.97Å; P399-E403 PolarHBondContact O-N 3.11Å; P399-E403 VanDerWaalsContact O-N 3.16Å; Q400-E403 PolarHBondContact O-N 2.95Å; E403-E406 PolarHBondContact O-N 2.77Å; E403-E407 WeakPolarHBondContact O-CB 3.32Å; E403-E407 WeakPolarHBondContact O-CG 3.43Å; E403-E407 PolarHBondContact O-N 2.83Å
404	T	94.6	Very high	91.1	Very high	55 Å²	55	61.8 Å²	61.8	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-43.6	178.6	-52.8	0	0	0	0	111.9	Q400 I401 L402 Y408 L444	Q400-T404 WeakPolarHBondContact O-CB 3.29Å; Q400-T404 PolarHBondContact O-N 3.08Å; Q400-T404 PolarHBondContact O-OG1 3.3Å; I401-T404 PolarHBondContact O-N 3.23Å; L402-T404 PolarHBondContact O-N 2.84Å; T404-Y408 WeakPolarHBondContact O-CB 3.37Å; T404-Y408 PolarHBondContact O-N 3.35Å; T404-L444 HydrophobicContact CG2-CD1 3.76Å
405	I	95	Very high	91.5	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-45.2	177.3	-72.3	165.2	0	0	0	110.5	F373 I401 L402 Y408 L409 L434 L444 L447 W458	F373-I405 HydrophobicContact CE2-CD1 4.05Å; F373-I405 HydrophobicContact CZ-CD1 4.1Å; I401-I405 HydrophobicContact CD1-CD1 4.27Å; I401-I405 HydrophobicContact CD1-CG1 4.48Å; I401-I405 HydrophobicContact CG1-CD1 3.98Å; I401-I405 WeakPolarHBondContact O-CB 3.21Å; I401-I405 WeakPolarHBondContact O-CD1 3.33Å; I401-I405 WeakPolarHBondContact O-CG1 3.32Å; I401-I405 PolarHBondContact O-N 3.02Å; L402-I405 PolarHBondContact O-N 2.82Å; I405-Y408 PolarHBondContact O-N 2.87Å; I405-L409 HydrophobicContact CG2-CD1 3.52Å; I405-L409 HydrophobicContact CG2-CG 4.24Å; I405-L409 WeakPolarHBondContact O-CB 3.5Å; I405-L409 VanDerWaalsContact O-CG 3.26Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 2.95Å; I405-L434 HydrophobicContact CD1-CD1 3.56Å; I405-L434 HydrophobicContact CD1-CD2 4.46Å; I405-L444 HydrophobicContact CG1-CD2 3.69Å; I405-L447 HydrophobicContact CD1-CD1 4.13Å; I405-L447 HydrophobicContact CG1-CD1 3.97Å; I405-L447 HydrophobicContact CG2-CD1 4.08Å; I405-W458 HydrophobicContact CG2-CH2 4.22Å; I405-W458 HydrophobicContact CG2-CZ2 4.33Å
406	E	92.4	Very high	91.4	Very high	22 Å²	22	60.5 Å²	60.5	10%	0.103	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-47.5	178.1	-74.7	-176.9	171.1	0	0	111.7	L402 E403 Y408 L409 Q410 I418 K420	L402-E406 WeakPolarHBondContact O-CB 3.35Å; L402-E406 WeakPolarHBondContact O-CG 3.29Å; L402-E406 PolarHBondContact O-N 3.26Å; E403-E406 PolarHBondContact O-N 2.77Å; E406-Y408 VanDerWaalsContact C-N 3.34Å; E406-Y408 PolarHBondContact O-N 3.35Å; E406-L409 PolarHBondContact O-N 3.48Å; E406-Q410 WeakPolarHBondContact O-CB 3.35Å; E406-Q410 VanDerWaalsContact O-CG 3.3Å; E406-Q410 WeakPolarHBondContact O-CG 3.46Å; E406-Q410 PolarHBondContact O-N 2.99Å; E406-I418 HydrophobicContact CG-CG2 4.4Å; E406-K420 WeakPolarHBondContact OE2-CG 3.17Å
407	E	92.2	Very high	90.7	Very high	103 Å²	103	64 Å²	64	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-40.9	177.5	-74	177.2	-178.9	0	0	112	E403 S411	E403-E407 WeakPolarHBondContact O-CB 3.32Å; E403-E407 WeakPolarHBondContact O-CG 3.43Å; E403-E407 PolarHBondContact O-N 2.83Å; E407-S411 WeakPolarHBondContact O-CB 3.04Å; E407-S411 PolarHBondContact O-N 3.45Å; E407-S411 VanDerWaalsContact O-N 3.08Å; E407-S411 PolarHBondContact O-OG 2.65Å
408	Y	94.9	Very high	89.7	Confident	24 Å²	24	59.7 Å²	59.7	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-42.9	177.2	-166.3	-90.5	0	0	0	111.7	K301 T404 I405 E406 S411 N412 L444 D445 V448	K301-Y408 PolarHBondContact O-OH 3.09Å; T404-Y408 WeakPolarHBondContact O-CB 3.37Å; T404-Y408 PolarHBondContact O-N 3.35Å; I405-Y408 PolarHBondContact O-N 2.87Å; E406-Y408 VanDerWaalsContact C-N 3.34Å; E406-Y408 PolarHBondContact O-N 3.35Å; Y408-S411 PolarHBondContact O-N 2.88Å; Y408-N412 HydrophobicContact CE1-CB 4.4Å; Y408-N412 WeakPolarHBondContact O-CB 3.42Å; Y408-N412 PolarHBondContact O-N 3.44Å; Y408-N412 PolarHBondContact O-ND2 3.45Å; Y408-L444 HydrophobicContact CD1-CB 3.59Å; Y408-L444 HydrophobicContact CD2-CB 3.95Å; Y408-L444 HydrophobicContact CD2-CD1 3.86Å; Y408-L444 VanDerWaalsContact CE1-C 3.49Å; Y408-L444 HydrophobicContact CE1-CB 3.74Å; Y408-L444 WeakPolarHBondContact CE1-O 3.35Å; Y408-L444 HydrophobicContact CE2-CB 4.09Å; Y408-L444 HydrophobicContact CG-CB 3.7Å; Y408-L444 HydrophobicContact CG-CD1 3.87Å; Y408-L444 HydrophobicContact CG-CG 4.43Å; Y408-D445 PolarHBondContact OH-OD1 3.25Å; Y408-V448 HydrophobicContact CD1-CG1 3.93Å; Y408-V448 HydrophobicContact CE1-CG1 3.98Å; Y408-V448 HydrophobicContact CE1-CG2 3.73Å
409	L	93.7	Very high	88.3	Confident	2 Å²	2	70 Å²	70	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-61.9	-47	176.4	-78	165.1	0	0	0	111.6	I405 E406 S411 N412 V413 L416 I418 V448 W458	I405-L409 HydrophobicContact CG2-CD1 3.52Å; I405-L409 HydrophobicContact CG2-CG 4.24Å; I405-L409 WeakPolarHBondContact O-CB 3.5Å; I405-L409 VanDerWaalsContact O-CG 3.26Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 2.95Å; E406-L409 PolarHBondContact O-N 3.48Å; L409-S411 PolarHBondContact O-N 3.43Å; L409-N412 PolarHBondContact O-N 3.06Å; L409-V413 HydrophobicContact CD2-CG2 4.03Å; L409-V413 WeakPolarHBondContact O-CB 3Å; L409-V413 PolarHBondContact O-N 2.82Å; L409-L416 HydrophobicContact CB-CD2 3.85Å; L409-L416 HydrophobicContact CD2-CD2 4.02Å; L409-L416 HydrophobicContact CG-CD2 4.45Å; L409-I418 HydrophobicContact CB-CD1 3.79Å; L409-I418 HydrophobicContact CD1-CD1 3.5Å; L409-I418 VanDerWaalsContact CD1-CD1 3.5Å; L409-I418 HydrophobicContact CG-CD1 4.2Å; L409-V448 HydrophobicContact CD2-CG1 3.61Å; L409-V448 HydrophobicContact CG-CG1 4.42Å; L409-W458 HydrophobicContact CD1-CD2 3.68Å; L409-W458 HydrophobicContact CD1-CE3 3.84Å; L409-W458 HydrophobicContact CD1-CG 4.09Å; L409-W458 HydrophobicContact CD1-CH2 4.42Å; L409-W458 HydrophobicContact CD1-CZ2 4.31Å; L409-W458 HydrophobicContact CD1-CZ3 4.2Å; L409-W458 HydrophobicContact CD2-CB 4.16Å; L409-W458 HydrophobicContact CD2-CD2 4.07Å; L409-W458 HydrophobicContact CD2-CG 3.64Å
410	Q	91.7	Very high	86.9	Confident	87 Å²	87	75.2 Å²	75.2	41%	0.407	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-33.5	177.5	-74.1	175.2	-0.3	0	0	112.6	E406	E406-Q410 WeakPolarHBondContact O-CB 3.35Å; E406-Q410 VanDerWaalsContact O-CG 3.3Å; E406-Q410 WeakPolarHBondContact O-CG 3.46Å; E406-Q410 PolarHBondContact O-N 2.99Å
411	S	92.2	Very high	85.5	Confident	98 Å²	98	68.9 Å²	68.9	69%	0.685	35%	0.35	S	S	*	.	H	α-helix	trans	-81.7	-25	-178.2	-57.4	0	0	0	0	113.6	E407 Y408 L409	E407-S411 WeakPolarHBondContact O-CB 3.04Å; E407-S411 PolarHBondContact O-N 3.45Å; E407-S411 VanDerWaalsContact O-N 3.08Å; E407-S411 PolarHBondContact O-OG 2.65Å; Y408-S411 PolarHBondContact O-N 2.88Å; L409-S411 PolarHBondContact O-N 3.43Å
412	N	93.3	Very high	84.2	Confident	74 Å²	74	76.3 Å²	76.3	40%	0.396	38%	0.384	S	S	.	.	H	α-helix	trans	-118.4	-11	-170.1	-65.3	-78.6	0	0	0	114.6	Y408 L409 V448	Y408-N412 HydrophobicContact CE1-CB 4.4Å; Y408-N412 WeakPolarHBondContact O-CB 3.42Å; Y408-N412 PolarHBondContact O-N 3.44Å; Y408-N412 PolarHBondContact O-ND2 3.45Å; L409-N412 PolarHBondContact O-N 3.06Å; N412-V448 HydrophobicContact CB-CG2 4.26Å
413	V	90.7	Very high	83.5	Confident	14 Å²	14	78 Å²	78	9%	0.085	40%	0.397	C	S	.	.	S	Bend	trans	-116.7	110.9	-179.6	-171.6	0	0	0	0	111	L409 L416 V448 L455 K459	L409-V413 HydrophobicContact CD2-CG2 4.03Å; L409-V413 WeakPolarHBondContact O-CB 3Å; L409-V413 PolarHBondContact O-N 2.82Å; V413-L416 HydrophobicContact CB-CB 3.94Å; V413-L416 HydrophobicContact CB-CD2 3.8Å; V413-L416 HydrophobicContact CB-CG 4.47Å; V413-L416 HydrophobicContact CG1-CB 3.79Å; V413-L416 HydrophobicContact CG1-CD2 4Å; V413-L416 HydrophobicContact CG1-CG 4.32Å; V413-L416 HydrophobicContact CG2-CD2 4.21Å; V413-L416 WeakPolarHBondContact O-CB 3.12Å; V413-V448 HydrophobicContact CG2-CB 3.92Å; V413-V448 HydrophobicContact CG2-CG1 3.79Å; V413-L455 HydrophobicContact CB-CD1 4.47Å; V413-L455 HydrophobicContact CG1-CD1 3.8Å; V413-L455 HydrophobicContact CG2-CD1 3.73Å; V413-K459 HydrophobicContact CG1-CD 4.06Å
414	E	86.7	Confident	82.9	Confident	156 Å²	156	76.4 Å²	76.4	73%	0.729	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	139.5	176.9	-67.8	-176.8	179.6	0	0	112.6	L416 K459	E414-L416 PolarHBondContact O-N 3.29Å; E414-K459 PolarHBondContact O-NZ 3.31Å
415	N	82.5	Confident	82.3	Confident	153 Å²	153	77.7 Å²	77.7	82%	0.818	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	23.9	178.2	-56.7	-45.7	0	0	0	114.4
416	L	82.6	Confident	81.8	Confident	27 Å²	27	81.7 Å²	81.7	14%	0.141	42%	0.418	C	S	.	.			trans	-90.8	113.3	175.7	-169.2	70.6	0	0	0	110.7	L409 V413 E414 I418 W458 K459	L409-L416 HydrophobicContact CB-CD2 3.85Å; L409-L416 HydrophobicContact CD2-CD2 4.02Å; L409-L416 HydrophobicContact CG-CD2 4.45Å; V413-L416 HydrophobicContact CB-CB 3.94Å; V413-L416 HydrophobicContact CB-CD2 3.8Å; V413-L416 HydrophobicContact CB-CG 4.47Å; V413-L416 HydrophobicContact CG1-CB 3.79Å; V413-L416 HydrophobicContact CG1-CD2 4Å; V413-L416 HydrophobicContact CG1-CG 4.32Å; V413-L416 HydrophobicContact CG2-CD2 4.21Å; V413-L416 WeakPolarHBondContact O-CB 3.12Å; E414-L416 PolarHBondContact O-N 3.29Å; L416-I418 HydrophobicContact CD1-CG1 4.45Å; L416-I418 HydrophobicContact CD2-CD1 3.56Å; L416-I418 HydrophobicContact CD2-CG1 3.93Å; L416-I418 HydrophobicContact CG-CD1 4.12Å; L416-I418 HydrophobicContact CG-CG1 3.9Å; L416-W458 HydrophobicContact CD1-CB 4.25Å; L416-W458 VanDerWaalsContact CD1-O 3.26Å; L416-W458 WeakPolarHBondContact CD1-O 3.47Å; L416-W458 HydrophobicContact CD2-CB 4.25Å; L416-K459 HydrophobicContact CD1-CB 4.4Å
417	S	70.3	Confident	81.7	Confident	120 Å²	120	80.8 Å²	80.8	84%	0.839	41%	0.413	S	S	*	.			trans	-102.1	78.3	176.3	-65.2	0	0	0	0	110.9	R419	S417-R419 PolarHBondContact O-N 2.88Å
418	I	69.4	Low	81.6	Confident	47 Å²	47	75.9 Å²	75.9	24%	0.241	39%	0.391	C	S	.	.			trans	-81.9	116.7	169.8	-58.6	170.2	0	0	0	107.9	E406 L409 L416 K420	E406-I418 HydrophobicContact CG-CG2 4.4Å; L409-I418 HydrophobicContact CB-CD1 3.79Å; L409-I418 HydrophobicContact CD1-CD1 3.5Å; L409-I418 VanDerWaalsContact CD1-CD1 3.5Å; L409-I418 HydrophobicContact CG-CD1 4.2Å; L416-I418 HydrophobicContact CD1-CG1 4.45Å; L416-I418 HydrophobicContact CD2-CD1 3.56Å; L416-I418 HydrophobicContact CD2-CG1 3.93Å; L416-I418 HydrophobicContact CG-CD1 4.12Å; L416-I418 HydrophobicContact CG-CG1 3.9Å; I418-K420 PolarHBondContact O-N 2.91Å
419	R	60.4	Low	81.2	Confident	234 Å²	234	76.6 Å²	76.6	88%	0.883	40%	0.395	S	S	*	.			trans	-69.7	119.5	167.3	-71.5	-174.2	-175.2	-174.8	2.4	107.7	S417 S421	S417-R419 PolarHBondContact O-N 2.88Å; R419-S421 PolarHBondContact O-N 3.43Å
420	K	65.9	Low	81.1	Confident	123 Å²	123	78.2 Å²	78.2	54%	0.535	41%	0.405	S	S	.	.			trans	-50.7	113.3	169.3	-66.8	-161.2	170.6	-165.2	0	108.2	E406 I418	E406-K420 WeakPolarHBondContact OE2-CG 3.17Å; I418-K420 PolarHBondContact O-N 2.91Å
421	S	64.5	Low	81.2	Confident	21 Å²	21	74.1 Å²	74.1	15%	0.147	39%	0.385	C	S	.	.			trans	-89	127.9	-179.9	-153.7	0	0	0	0	110	T398 R419 N426	T398-S421 PolarHBondContact OG1-O 3.14Å; R419-S421 PolarHBondContact O-N 3.43Å; S421-N426 WeakPolarHBondContact OG-CB 3.12Å; S421-N426 PolarHBondContact OG-ND2 3.48Å
422	Q	68.2	Low	81.2	Confident	171 Å²	171	72.5 Å²	72.5	80%	0.799	36%	0.364	S	S	*	.			trans	-103.4	16.9	170.9	-64.8	-177.2	-12.6	0	0	111.1
423	S	78.7	Confident	81.1	Confident	42 Å²	42	69.8 Å²	69.8	29%	0.294	35%	0.349	S	S	.	.			trans	-106.4	129.6	-178.7	94.6	0	0	0	0	110.4	Q425 N426 D427	S423-Q425 PolarHBondContact O-N 3.33Å; S423-N426 PolarHBondContact O-N 3.04Å; S423-N426 WeakPolarHBondContact OG-CB 3.33Å; S423-N426 PolarHBondContact OG-N 3.2Å; S423-N426 PolarHBondContact OG-ND2 3.26Å; S423-N426 VanDerWaalsContact OG-ND2 3.16Å; S423-D427 PolarHBondContact O-N 3.36Å
424	A	80.8	Confident	81.3	Confident	28 Å²	28	69.2 Å²	69.2	23%	0.231	35%	0.345	C	S	.	.	H	α-helix	trans	-57.5	-31	177	0	0	0	0	0	112.7	Y396 L428	Y396-A424 HydrophobicContact CD1-CB 4.28Å; Y396-A424 HydrophobicContact CD2-CB 3.74Å; Y396-A424 HydrophobicContact CE1-CB 4.17Å; Y396-A424 HydrophobicContact CE2-CB 3.59Å; Y396-A424 HydrophobicContact CG-CB 4.08Å; Y396-A424 VanDerWaalsContact CZ-CA 3.48Å; A424-L428 WeakPolarHBondContact O-CB 3.42Å; A424-L428 PolarHBondContact O-N 2.9Å
425	Q	82.5	Confident	81.6	Confident	81 Å²	81	65.3 Å²	65.3	38%	0.379	33%	0.326	S	S	.	.	H	α-helix	trans	-70.1	-43	-179.2	-173.7	61.5	37.3	0	0	112.5	S423 L428 H429 D504	S423-Q425 PolarHBondContact O-N 3.33Å; Q425-L428 PolarHBondContact O-N 3.31Å; Q425-H429 PolarHBondContact O-N 2.8Å; Q425-H429 VanDerWaalsContact O-N 3.09Å; Q425-D504 PolarHBondContact NE2-OD2 2.92Å; Q425-D504 VanDerWaalsContact NE2-OD2 3.09Å
426	N	84.1	Confident	82.1	Confident	88 Å²	88	61.4 Å²	61.4	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-70.2	-41	179	-69	-16.1	0	0	0	110.8	S421 S423 L428 H429 V430	S421-N426 WeakPolarHBondContact OG-CB 3.12Å; S421-N426 PolarHBondContact OG-ND2 3.48Å; S423-N426 PolarHBondContact O-N 3.04Å; S423-N426 WeakPolarHBondContact OG-CB 3.33Å; S423-N426 PolarHBondContact OG-N 3.2Å; S423-N426 PolarHBondContact OG-ND2 3.26Å; S423-N426 VanDerWaalsContact OG-ND2 3.16Å; N426-L428 VanDerWaalsContact C-N 3.33Å; N426-L428 PolarHBondContact O-N 3.09Å; N426-H429 WeakPolarHBondContact O-CB 3.33Å; N426-H429 PolarHBondContact O-N 3.09Å; N426-V430 WeakPolarHBondContact O-CG2 3.4Å; N426-V430 PolarHBondContact O-N 3.39Å
427	D	90.2	Very high	82.6	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-42	176.4	-70.9	-3.5	0	0	0	111.1	Y396 T398 L402 S423 H429 V430 L431	Y396-D427 VanDerWaalsContact CE1-OD2 3.29Å; Y396-D427 WeakPolarHBondContact CE1-OD2 3.22Å; Y396-D427 VanDerWaalsContact CZ-OD2 3.3Å; Y396-D427 WeakPolarHBondContact OH-CB 3.48Å; Y396-D427 VanDerWaalsContact OH-CG 3.23Å; Y396-D427 PolarHBondContact OH-OD2 3.04Å; T398-D427 PolarHBondContact OG1-OD2 3.1Å; L402-D427 HydrophobicContact CD1-CB 3.5Å; L402-D427 VanDerWaalsContact CD1-CB 3.5Å; S423-D427 PolarHBondContact O-N 3.36Å; D427-H429 VanDerWaalsContact C-N 3.31Å; D427-H429 PolarHBondContact O-N 3.11Å; D427-V430 PolarHBondContact O-N 2.73Å; D427-L431 WeakPolarHBondContact O-CB 3.26Å; D427-L431 WeakPolarHBondContact O-CD1 3.38Å; D427-L431 VanDerWaalsContact O-CG 3.24Å; D427-L431 WeakPolarHBondContact O-CG 3.29Å; D427-L431 PolarHBondContact O-N 3.39Å
428	L	89.4	Confident	83.6	Confident	1 Å²	1	60 Å²	60	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-43.5	174.2	-177.7	67.2	0	0	0	111.6	L381 C384 I385 A424 Q425 N426 L431 R432	L381-L428 HydrophobicContact CD1-CD1 3.57Å; C384-L428 HydrophobicContact CB-CB 4.44Å; C384-L428 HydrophobicContact CB-CD1 4.16Å; I385-L428 HydrophobicContact CG1-CD1 3.74Å; A424-L428 WeakPolarHBondContact O-CB 3.42Å; A424-L428 PolarHBondContact O-N 2.9Å; Q425-L428 PolarHBondContact O-N 3.31Å; N426-L428 VanDerWaalsContact C-N 3.33Å; N426-L428 PolarHBondContact O-N 3.09Å; L428-L431 PolarHBondContact O-N 3.27Å; L428-R432 VanDerWaalsContact O-CG 3.3Å; L428-R432 WeakPolarHBondContact O-CG 3.46Å; L428-R432 PolarHBondContact O-N 3.36Å
429	H	87	Confident	84.7	Confident	39 Å²	39	60.9 Å²	60.9	18%	0.181	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-47.3	177	178.5	83	0	0	0	111.6	Q425 N426 D427 R432 R433 D504	Q425-H429 PolarHBondContact O-N 2.8Å; Q425-H429 VanDerWaalsContact O-N 3.09Å; N426-H429 WeakPolarHBondContact O-CB 3.33Å; N426-H429 PolarHBondContact O-N 3.09Å; D427-H429 VanDerWaalsContact C-N 3.31Å; D427-H429 PolarHBondContact O-N 3.11Å; H429-R432 PolarHBondContact O-N 2.89Å; H429-R433 WeakPolarHBondContact NE2-CD 3.19Å; H429-R433 WeakPolarHBondContact O-CG 3.15Å; H429-R433 PolarHBondContact O-N 3.32Å; H429-D504 IonicContact CE1-OD1 2.82Å; H429-D504 IonicContact CG-OD1 3.28Å; H429-D504 IonicContact ND1-OD1 2.61Å; H429-D504 PolarHBondContact ND1-OD1 3.42Å
430	V	91	Very high	86.3	Confident	36 Å²	36	53.3 Å²	53.3	22%	0.218	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-44.4	177.2	176.6	0	0	0	0	111.3	L402 N426 D427 R432 R433 L434 W458	L402-V430 HydrophobicContact CD2-CB 4.41Å; L402-V430 HydrophobicContact CD2-CG1 3.77Å; N426-V430 WeakPolarHBondContact O-CG2 3.4Å; N426-V430 PolarHBondContact O-N 3.39Å; D427-V430 PolarHBondContact O-N 2.73Å; V430-R432 VanDerWaalsContact C-N 3.34Å; V430-R432 PolarHBondContact O-N 3.38Å; V430-R433 WeakPolarHBondContact O-CB 3.4Å; V430-R433 PolarHBondContact O-N 3.3Å; V430-L434 HydrophobicContact CG1-CD1 4.01Å; V430-L434 HydrophobicContact CG1-CG 4.36Å; V430-L434 WeakPolarHBondContact O-CG 3.48Å; V430-L434 PolarHBondContact O-N 3.41Å; V430-W458 HydrophobicContact CG1-CH2 4.07Å; V430-W458 HydrophobicContact CG1-CZ3 4.03Å
431	L	94	Very high	87.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-36.9	-179.7	-73.5	163.7	0	0	0	112.8	V377 A380 L381 C384 P399 I401 L402 D427 L428 R433 L434 H435	V377-L431 HydrophobicContact CG1-CD2 4.27Å; A380-L431 HydrophobicContact CB-CD1 3.95Å; A380-L431 HydrophobicContact CB-CD2 3.59Å; A380-L431 HydrophobicContact CB-CG 4.44Å; L381-L431 HydrophobicContact CB-CB 4.37Å; L381-L431 HydrophobicContact CD1-CB 4.03Å; C384-L431 HydrophobicContact CB-CD1 4.26Å; C384-L431 WeakPolarHBondContact SG-CD1 3.31Å; P399-L431 HydrophobicContact CG-CD1 4.41Å; I401-L431 HydrophobicContact CG2-CD2 4.37Å; L402-L431 HydrophobicContact CD1-CD1 4.05Å; L402-L431 HydrophobicContact CD1-CD2 4.39Å; L402-L431 HydrophobicContact CD1-CG 3.97Å; L402-L431 HydrophobicContact CD2-CD2 3.84Å; L402-L431 HydrophobicContact CD2-CG 4.05Å; L402-L431 HydrophobicContact CG-CD2 4.08Å; L402-L431 HydrophobicContact CG-CG 4.21Å; D427-L431 WeakPolarHBondContact O-CB 3.26Å; D427-L431 WeakPolarHBondContact O-CD1 3.38Å; D427-L431 VanDerWaalsContact O-CG 3.24Å; D427-L431 WeakPolarHBondContact O-CG 3.29Å; D427-L431 PolarHBondContact O-N 3.39Å; L428-L431 PolarHBondContact O-N 3.27Å; L431-R433 VanDerWaalsContact C-N 3.35Å; L431-L434 PolarHBondContact O-N 3.01Å; L431-H435 WeakPolarHBondContact O-CB 3.43Å; L431-H435 PolarHBondContact O-N 3.42Å
432	R	92	Very high	89.2	Confident	65 Å²	65	48.4 Å²	48.4	25%	0.245	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-42.1	173.6	-75.2	174.1	173	174.7	-12.5	111.7	L381 L428 H429 V430 H435 L436 D504 T506	L381-R432 HydrophobicContact CD1-CG 4.08Å; L428-R432 VanDerWaalsContact O-CG 3.3Å; L428-R432 WeakPolarHBondContact O-CG 3.46Å; L428-R432 PolarHBondContact O-N 3.36Å; H429-R432 PolarHBondContact O-N 2.89Å; V430-R432 VanDerWaalsContact C-N 3.34Å; V430-R432 PolarHBondContact O-N 3.38Å; R432-H435 WeakPolarHBondContact O-CB 3.49Å; R432-H435 PolarHBondContact O-N 3.26Å; R432-L436 PolarHBondContact O-N 3.06Å; R432-D504 IonicContact NH1-OD2 2.64Å; R432-D504 PolarHBondContact NH1-OD2 3.46Å; R432-T506 HydrophobicContact CB-CG2 3.99Å; R432-T506 WeakPolarHBondContact CD-OG1 3.31Å
433	R	92	Very high	90.6	Very high	17 Å²	17	40.7 Å²	40.7	6%	0.064	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-44.4	175.5	-63.9	168.5	61.8	170.7	1.2	111.4	H429 V430 L431 H435 L436 M457 T506 L554 E559	H429-R433 WeakPolarHBondContact NE2-CD 3.19Å; H429-R433 WeakPolarHBondContact O-CG 3.15Å; H429-R433 PolarHBondContact O-N 3.32Å; V430-R433 WeakPolarHBondContact O-CB 3.4Å; V430-R433 PolarHBondContact O-N 3.3Å; L431-R433 VanDerWaalsContact C-N 3.35Å; R433-H435 VanDerWaalsContact C-N 3.32Å; R433-H435 PolarHBondContact O-N 2.93Å; R433-L436 WeakPolarHBondContact O-CB 3.26Å; R433-L436 PolarHBondContact O-N 3Å; R433-M457 HydrophobicContact CB-CE 3.78Å; R433-M457 PolarHBondContact NH2-O 3.18Å; R433-T506 HydrophobicContact CG-CG2 4.11Å; R433-L554 WeakPolarHBondContact CD-O 3.34Å; R433-L554 WeakPolarHBondContact CG-O 3.3Å; R433-L554 VanDerWaalsContact CZ-O 3.24Å; R433-L554 PolarHBondContact NE-O 3.43Å; R433-L554 PolarHBondContact NH2-O 2.91Å; R433-L554 WeakPolarHBondContact O-CD2 3.26Å; R433-E559 IonicContact NH1-OE2 3.98Å; R433-E559 PolarHBondContact NH1-OE2 3.05Å
434	L	94.8	Very high	91.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-36.7	175.7	-68.6	173.7	0	0	0	112.3	F373 V377 L402 I405 V430 L431 L436 L437 L447 M457 W458	F373-L434 HydrophobicContact CZ-CD2 4.17Å; V377-L434 HydrophobicContact CG1-CB 3.83Å; V377-L434 HydrophobicContact CG2-CB 4.11Å; V377-L434 HydrophobicContact CG2-CD1 4.37Å; L402-L434 HydrophobicContact CD2-CD1 3.9Å; I405-L434 HydrophobicContact CD1-CD1 3.56Å; I405-L434 HydrophobicContact CD1-CD2 4.46Å; V430-L434 HydrophobicContact CG1-CD1 4.01Å; V430-L434 HydrophobicContact CG1-CG 4.36Å; V430-L434 WeakPolarHBondContact O-CG 3.48Å; V430-L434 PolarHBondContact O-N 3.41Å; L431-L434 PolarHBondContact O-N 3.01Å; L434-L436 VanDerWaalsContact C-N 3.28Å; L434-L436 PolarHBondContact O-N 3.08Å; L434-L437 HydrophobicContact CD2-CD1 4.34Å; L434-L437 WeakPolarHBondContact O-CB 3.29Å; L434-L437 PolarHBondContact O-N 2.98Å; L434-L447 HydrophobicContact CD2-CD1 4.44Å; L434-L447 HydrophobicContact CD2-CD2 4.2Å; L434-M457 HydrophobicContact CD2-CE 4.46Å; L434-W458 HydrophobicContact CD2-CH2 3.98Å; L434-W458 HydrophobicContact CD2-CZ2 4.01Å; L434-W458 HydrophobicContact CG-CH2 4.47Å
435	H	94.2	Very high	92.1	Very high	74 Å²	74	41 Å²	41	34%	0.343	20%	0.2	S	C	.	.	H	α-helix	trans	-62.9	-33.5	176.6	-176.4	76.7	0	0	0	112.4	V377 N378 L381 L431 R432 R433 L437 K438	V377-H435 HydrophobicContact CG1-CB 4.34Å; N378-H435 PolarHBondContact OD1-CE1 2.71Å; N378-H435 PolarHBondContact OD1-ND1 2.82Å; L381-H435 HydrophobicContact CD2-CB 4.24Å; L431-H435 WeakPolarHBondContact O-CB 3.43Å; L431-H435 PolarHBondContact O-N 3.42Å; R432-H435 WeakPolarHBondContact O-CB 3.49Å; R432-H435 PolarHBondContact O-N 3.26Å; R433-H435 VanDerWaalsContact C-N 3.32Å; R433-H435 PolarHBondContact O-N 2.93Å; H435-L437 PolarHBondContact O-N 2.95Å; H435-K438 WeakPolarHBondContact O-CB 3.33Å; H435-K438 PolarHBondContact O-N 2.79Å
436	L	91.2	Very high	92.8	Very high	71 Å²	71	38.7 Å²	38.7	37%	0.372	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.3	173	-65	174.8	0	0	0	113.2	R432 R433 L434 K438 Q553 L554	R432-L436 PolarHBondContact O-N 3.06Å; R433-L436 WeakPolarHBondContact O-CB 3.26Å; R433-L436 PolarHBondContact O-N 3Å; L434-L436 VanDerWaalsContact C-N 3.28Å; L434-L436 PolarHBondContact O-N 3.08Å; L436-K438 VanDerWaalsContact C-N 3.27Å; L436-K438 PolarHBondContact O-N 3.28Å; L436-Q553 HydrophobicContact CD1-CB 4.19Å; L436-L554 HydrophobicContact CB-CD2 3.8Å; L436-L554 HydrophobicContact CD1-CD2 4.2Å
437	L	92.9	Very high	93.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	11.1	175	-54.8	-175.9	0	0	0	113.7	L434 H435 C439 R440 V441 L447 F454 M457 L554	L434-L437 HydrophobicContact CD2-CD1 4.34Å; L434-L437 WeakPolarHBondContact O-CB 3.29Å; L434-L437 PolarHBondContact O-N 2.98Å; H435-L437 PolarHBondContact O-N 2.95Å; L437-C439 PolarHBondContact O-N 3.38Å; L437-R440 VanDerWaalsContact O-CB 3.28Å; L437-R440 WeakPolarHBondContact O-CB 3.42Å; L437-R440 PolarHBondContact O-N 2.85Å; L437-V441 HydrophobicContact CB-CG2 3.98Å; L437-V441 HydrophobicContact CD1-CG2 3.85Å; L437-L447 HydrophobicContact CD1-CD2 3.98Å; L437-F454 HydrophobicContact CD1-CB 4.32Å; L437-F454 HydrophobicContact CD1-CD1 4.15Å; L437-F454 HydrophobicContact CD1-CD2 3.93Å; L437-F454 HydrophobicContact CD1-CE2 4.3Å; L437-F454 HydrophobicContact CD1-CG 3.85Å; L437-F454 HydrophobicContact CD2-CD1 3.69Å; L437-F454 HydrophobicContact CD2-CE1 3.57Å; L437-F454 HydrophobicContact CD2-CG 4.27Å; L437-F454 HydrophobicContact CD2-CZ 4.04Å; L437-M457 HydrophobicContact CD1-CE 4.22Å; L437-M457 HydrophobicContact CD1-SD 3.65Å; L437-M457 HydrophobicContact CD2-SD 4.15Å; L437-M457 HydrophobicContact CG-SD 4.2Å; L437-L554 HydrophobicContact CD2-CD1 3.94Å; L437-L554 HydrophobicContact CD2-CD2 3.65Å; L437-L554 HydrophobicContact CD2-CG 4.47Å; L437-L554 HydrophobicContact CG-CD2 4.23Å
438	K	91.7	Very high	93.5	Very high	117 Å²	117	35.1 Å²	35.1	51%	0.509	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	132.5	-178.3	-172	179.4	177.6	178.1	0	111.9	D374 H435 L436 R440	D374-K438 WeakPolarHBondContact OD1-CA 3.27Å; D374-K438 VanDerWaalsContact OD2-CG 3.26Å; D374-K438 WeakPolarHBondContact OD2-CG 3.2Å; H435-K438 WeakPolarHBondContact O-CB 3.33Å; H435-K438 PolarHBondContact O-N 2.79Å; L436-K438 VanDerWaalsContact C-N 3.27Å; L436-K438 PolarHBondContact O-N 3.28Å; K438-R440 VanDerWaalsContact C-N 3.25Å; K438-R440 PolarHBondContact O-N 2.62Å
439	C	92.8	Very high	93.5	Very high	66 Å²	66	37 Å²	37	45%	0.446	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	13.5	-177.9	-53.7	0	0	0	0	116.1	Q370 D374 L437	Q370-C439 PolarHBondContact NE2-O 3.41Å; D374-C439 PolarHBondContact OD1-N 3.05Å; D374-C439 PolarHBondContact OD2-N 3.4Å; D374-C439 PolarHBondContact OD2-SG 3.05Å; L437-C439 PolarHBondContact O-N 3.38Å
440	R	93.9	Very high	93.3	Very high	76 Å²	76	38 Å²	38	29%	0.287	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-13.9	-177.6	-59.6	164.6	66.3	-168.4	11.6	114.7	L437 K438 F454 E550	L437-R440 VanDerWaalsContact O-CB 3.28Å; L437-R440 WeakPolarHBondContact O-CB 3.42Å; L437-R440 PolarHBondContact O-N 2.85Å; K438-R440 VanDerWaalsContact C-N 3.25Å; K438-R440 PolarHBondContact O-N 2.62Å; R440-F454 HydrophobicContact CB-CE2 4.28Å; R440-F454 HydrophobicContact CB-CZ 3.9Å; R440-E550 IonicContact CZ-OE1 2.62Å; R440-E550 IonicContact NH1-OE1 3.6Å; R440-E550 PolarHBondContact NH1-OE1 3.45Å; R440-E550 IonicContact NH1-OE2 3.65Å; R440-E550 IonicContact NH2-OE1 3.55Å; R440-E550 PolarHBondContact NH2-OE1 3.43Å; R440-E550 IonicContact NH2-OE2 2.79Å
441	V	96.5	Very high	92.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.			trans	-103.6	112.5	177.1	-178.4	0	0	0	0	108.9	Q370 F373 L437 C443 D446 L447 F454	Q370-V441 VanDerWaalsContact CA-O 3.27Å; Q370-V441 WeakPolarHBondContact CA-O 3.35Å; F373-V441 HydrophobicContact CD1-CB 3.63Å; F373-V441 HydrophobicContact CD1-CG1 3.82Å; F373-V441 HydrophobicContact CD1-CG2 4.28Å; F373-V441 HydrophobicContact CD2-CG1 3.83Å; F373-V441 HydrophobicContact CE1-CB 3.72Å; F373-V441 HydrophobicContact CE1-CG1 3.8Å; F373-V441 HydrophobicContact CE1-CG2 3.89Å; F373-V441 HydrophobicContact CE2-CG1 3.83Å; F373-V441 HydrophobicContact CG-CB 4.07Å; F373-V441 HydrophobicContact CG-CG1 3.83Å; F373-V441 HydrophobicContact CZ-CB 4.24Å; F373-V441 HydrophobicContact CZ-CG1 3.81Å; F373-V441 HydrophobicContact CZ-CG2 4.38Å; L437-V441 HydrophobicContact CB-CG2 3.98Å; L437-V441 HydrophobicContact CD1-CG2 3.85Å; V441-C443 WeakPolarHBondContact CG1-O 3.42Å; V441-D446 HydrophobicContact CG1-CB 4.36Å; V441-L447 HydrophobicContact CG1-CD2 4.36Å; V441-L447 HydrophobicContact CG1-CG 4.29Å; V441-L447 HydrophobicContact CG2-CD2 3.91Å; V441-F454 HydrophobicContact CG2-CD2 4.16Å; V441-F454 HydrophobicContact CG2-CE2 4.01Å
442	H	95.6	Very high	92.1	Very high	40 Å²	40	48.7 Å²	48.7	19%	0.185	25%	0.247	C	C	.	.	S	Bend	trans	-91.3	-36.8	176.6	-39.8	95.7	0	0	0	111.3	K366 G369 Q370 D446	K366-H442 HydrophobicContact CB-CB 4.24Å; K366-H442 HydrophobicContact CG-CB 4.21Å; G369-H442 CarbonylContact C-O 3.47Å; G369-H442 WeakPolarHBondContact CA-O 3.27Å; Q370-H442 VanDerWaalsContact CG-CD2 3.48Å; Q370-H442 WeakPolarHBondContact CG-CD2 3.39Å; Q370-H442 PolarHBondContact NE2-CD2 2.9Å; Q370-H442 PolarHBondContact NE2-NE2 2.71Å; H442-D446 WeakPolarHBondContact CA-OD2 3.27Å; H442-D446 WeakPolarHBondContact CB-OD2 3.37Å; H442-D446 IonicContact CG-OD2 2.9Å; H442-D446 PolarHBondContact N-OD2 2.82Å; H442-D446 IonicContact ND1-OD1 3.14Å; H442-D446 IonicContact ND1-OD2 3.4Å; H442-D446 PolarHBondContact ND1-OD2 3.35Å
443	C	96.2	Very high	91.9	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.061	24%	0.242	C	C	.	.	S	Bend	trans	-150.3	169.7	176.8	65	0	0	0	0	110.4	A302 G303 Y304 V441 D445 D446	A302-C443 WeakPolarHBondContact O-CB 3.43Å; A302-C443 PolarHBondContact O-SG 3.4Å; G303-C443 WeakPolarHBondContact O-CB 3.49Å; Y304-C443 HydrophobicContact CD1-CB 3.78Å; Y304-C443 HydrophobicContact CD2-CB 4.11Å; Y304-C443 HydrophobicContact CE1-CB 3.94Å; Y304-C443 HydrophobicContact CE2-CB 4.26Å; Y304-C443 HydrophobicContact CG-CB 3.86Å; V441-C443 WeakPolarHBondContact CG1-O 3.42Å; C443-D445 PolarHBondContact O-N 3.45Å; C443-D446 PolarHBondContact N-OD2 3.31Å; C443-D446 WeakPolarHBondContact O-CB 3.38Å; C443-D446 PolarHBondContact O-N 2.89Å; C443-D446 VanDerWaalsContact O-N 3.12Å
444	L	97	Very high	92	Very high	9 Å²	9	46 Å²	46	5%	0.047	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-65.6	-20.8	-178.3	-56.6	171.9	0	0	0	112.9	G303 F373 T404 I405 Y408 D446 L447	G303-L444 WeakPolarHBondContact O-CG 3.4Å; G303-L444 PolarHBondContact O-N 2.9Å; F373-L444 HydrophobicContact CE2-CD2 4.02Å; T404-L444 HydrophobicContact CG2-CD1 3.76Å; I405-L444 HydrophobicContact CG1-CD2 3.69Å; Y408-L444 HydrophobicContact CD1-CB 3.59Å; Y408-L444 HydrophobicContact CD2-CB 3.95Å; Y408-L444 HydrophobicContact CD2-CD1 3.86Å; Y408-L444 VanDerWaalsContact CE1-C 3.49Å; Y408-L444 HydrophobicContact CE1-CB 3.74Å; Y408-L444 WeakPolarHBondContact CE1-O 3.35Å; Y408-L444 HydrophobicContact CE2-CB 4.09Å; Y408-L444 HydrophobicContact CG-CB 3.7Å; Y408-L444 HydrophobicContact CG-CD1 3.87Å; Y408-L444 HydrophobicContact CG-CG 4.43Å; L444-D446 PolarHBondContact O-N 2.73Å; L444-L447 HydrophobicContact CD2-CD1 4.12Å; L444-L447 WeakPolarHBondContact O-CB 3.28Å; L444-L447 PolarHBondContact O-N 2.88Å
445	D	95.6	Very high	91.9	Very high	67 Å²	67	47.4 Å²	47.4	36%	0.358	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-59.7	-33.4	173.3	-154.3	55.3	0	0	0	112.4	A302 Y408 C443 L447 V448 D449	A302-D445 WeakPolarHBondContact O-CB 3.43Å; A302-D445 PolarHBondContact O-N 3.28Å; Y408-D445 PolarHBondContact OH-OD1 3.25Å; C443-D445 PolarHBondContact O-N 3.45Å; D445-L447 PolarHBondContact O-N 2.79Å; D445-L447 VanDerWaalsContact O-N 3.13Å; D445-V448 PolarHBondContact O-N 3.43Å; D445-D449 PolarHBondContact O-N 2.64Å
446	D	95.8	Very high	91.8	Very high	34 Å²	34	44.7 Å²	44.7	18%	0.182	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-61.8	-23.4	175.2	-63.8	-42.8	0	0	0	111.8	V441 H442 C443 L444 G453 F454	V441-D446 HydrophobicContact CG1-CB 4.36Å; H442-D446 WeakPolarHBondContact CA-OD2 3.27Å; H442-D446 WeakPolarHBondContact CB-OD2 3.37Å; H442-D446 IonicContact CG-OD2 2.9Å; H442-D446 PolarHBondContact N-OD2 2.82Å; H442-D446 IonicContact ND1-OD1 3.14Å; H442-D446 IonicContact ND1-OD2 3.4Å; H442-D446 PolarHBondContact ND1-OD2 3.35Å; C443-D446 PolarHBondContact N-OD2 3.31Å; C443-D446 WeakPolarHBondContact O-CB 3.38Å; C443-D446 PolarHBondContact O-N 2.89Å; C443-D446 VanDerWaalsContact O-N 3.12Å; L444-D446 PolarHBondContact O-N 2.73Å; D446-G453 CarbonylContact O-C 3.54Å; D446-G453 WeakPolarHBondContact O-CA 3.44Å; D446-F454 HydrophobicContact CB-CD2 4.49Å; D446-F454 VanDerWaalsContact O-CD2 3.29Å; D446-F454 WeakPolarHBondContact O-CD2 3.35Å; D446-F454 PolarHBondContact O-N 3.41Å
447	L	95.7	Very high	91.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-81.7	-16	177.2	-61.4	179.7	0	0	0	113.3	F373 I405 L434 L437 V441 L444 D445 F454 L455 W458	F373-L447 HydrophobicContact CE2-CD1 4.27Å; F373-L447 HydrophobicContact CZ-CD1 4.15Å; I405-L447 HydrophobicContact CD1-CD1 4.13Å; I405-L447 HydrophobicContact CG1-CD1 3.97Å; I405-L447 HydrophobicContact CG2-CD1 4.08Å; L434-L447 HydrophobicContact CD2-CD1 4.44Å; L434-L447 HydrophobicContact CD2-CD2 4.2Å; L437-L447 HydrophobicContact CD1-CD2 3.98Å; V441-L447 HydrophobicContact CG1-CD2 4.36Å; V441-L447 HydrophobicContact CG1-CG 4.29Å; V441-L447 HydrophobicContact CG2-CD2 3.91Å; L444-L447 HydrophobicContact CD2-CD1 4.12Å; L444-L447 WeakPolarHBondContact O-CB 3.28Å; L444-L447 PolarHBondContact O-N 2.88Å; D445-L447 PolarHBondContact O-N 2.79Å; D445-L447 VanDerWaalsContact O-N 3.13Å; L447-F454 HydrophobicContact CD2-CB 4.24Å; L447-F454 HydrophobicContact CD2-CD2 4.23Å; L447-F454 CarbonylContact O-C 3.52Å; L447-L455 WeakPolarHBondContact O-CA 3.3Å; L447-L455 PolarHBondContact O-N 2.91Å; L447-W458 HydrophobicContact CD1-CZ2 4.3Å; L447-W458 HydrophobicContact CD2-CZ2 4.29Å; L447-W458 PolarHBondContact O-NE1 2.72Å
448	V	93.4	Very high	91.7	Very high	14 Å²	14	43.4 Å²	43.4	9%	0.085	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-11.1	-174.9	-51.1	0	0	0	0	113.9	Y408 L409 N412 V413 D445 P450	Y408-V448 HydrophobicContact CD1-CG1 3.93Å; Y408-V448 HydrophobicContact CE1-CG1 3.98Å; Y408-V448 HydrophobicContact CE1-CG2 3.73Å; L409-V448 HydrophobicContact CD2-CG1 3.61Å; L409-V448 HydrophobicContact CG-CG1 4.42Å; N412-V448 HydrophobicContact CB-CG2 4.26Å; V413-V448 HydrophobicContact CG2-CB 3.92Å; V413-V448 HydrophobicContact CG2-CG1 3.79Å; D445-V448 PolarHBondContact O-N 3.43Å; V448-P450 WeakPolarHBondContact O-CD 3.25Å
449	D	90.5	Very high	91.6	Very high	40 Å²	40	41.8 Å²	41.8	21%	0.214	22%	0.219	C	C	.	.			trans	-63.8	120.1	175.9	177.2	12.8	0	0	0	110.5	D445 N451 N452 G453	D445-D449 PolarHBondContact O-N 2.64Å; D449-N451 PolarHBondContact OD1-N 3.27Å; D449-N452 PolarHBondContact OD2-N 2.67Å; D449-G453 CarbonylContact O-C 3.59Å; D449-G453 WeakPolarHBondContact O-CA 3.42Å; D449-G453 PolarHBondContact O-N 2.65Å; D449-G453 VanDerWaalsContact O-N 3.11Å
450	P	82.4	Confident	91.5	Very high	59 Å²	59	41.7 Å²	41.7	38%	0.383	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-31	176.3	27.6	-34.5	0	0	0	113.1	V448 L455 F542	V448-P450 WeakPolarHBondContact O-CD 3.25Å; P450-L455 HydrophobicContact CB-CD2 3.87Å; P450-F542 HydrophobicContact CB-CE2 4.44Å; P450-F542 HydrophobicContact CB-CZ 3.99Å; P450-F542 WeakPolarHBondContact O-CE2 3.37Å; P450-F542 WeakPolarHBondContact O-CZ 3.37Å
451	N	81.3	Confident	91.4	Very high	112 Å²	112	39 Å²	39	60%	0.599	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-41.5	-167.7	-61.7	-61.8	0	0	0	113	D449	D449-N451 PolarHBondContact OD1-N 3.27Å
452	N	77.7	Confident	91.1	Very high	150 Å²	150	43.4 Å²	43.4	80%	0.802	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.4	7.3	-177.7	-69.7	-45.9	0	0	0	113.5	D449	D449-N452 PolarHBondContact OD2-N 2.67Å
453	G	89.2	Confident	91.1	Very high	12 Å²	12	43.7 Å²	43.7	12%	0.124	24%	0.238	C	C	.	.	S	Bend	trans	-101.7	-163	-177.8	0	0	0	0	0	114.3	D446 D449	D446-G453 CarbonylContact O-C 3.54Å; D446-G453 WeakPolarHBondContact O-CA 3.44Å; D449-G453 CarbonylContact O-C 3.59Å; D449-G453 WeakPolarHBondContact O-CA 3.42Å; D449-G453 PolarHBondContact O-N 2.65Å; D449-G453 VanDerWaalsContact O-N 3.11Å
454	F	93.8	Very high	91	Very high	13 Å²	13	45.7 Å²	45.7	6%	0.057	26%	0.255	C	S	.	.	S	Bend	trans	-107.6	22.9	-175.6	-55.6	-73.7	0	0	0	112.6	L437 R440 V441 D446 L447 F456 M457	L437-F454 HydrophobicContact CD1-CB 4.32Å; L437-F454 HydrophobicContact CD1-CD1 4.15Å; L437-F454 HydrophobicContact CD1-CD2 3.93Å; L437-F454 HydrophobicContact CD1-CE2 4.3Å; L437-F454 HydrophobicContact CD1-CG 3.85Å; L437-F454 HydrophobicContact CD2-CD1 3.69Å; L437-F454 HydrophobicContact CD2-CE1 3.57Å; L437-F454 HydrophobicContact CD2-CG 4.27Å; L437-F454 HydrophobicContact CD2-CZ 4.04Å; R440-F454 HydrophobicContact CB-CE2 4.28Å; R440-F454 HydrophobicContact CB-CZ 3.9Å; V441-F454 HydrophobicContact CG2-CD2 4.16Å; V441-F454 HydrophobicContact CG2-CE2 4.01Å; D446-F454 HydrophobicContact CB-CD2 4.49Å; D446-F454 VanDerWaalsContact O-CD2 3.29Å; D446-F454 WeakPolarHBondContact O-CD2 3.35Å; D446-F454 PolarHBondContact O-N 3.41Å; L447-F454 HydrophobicContact CD2-CB 4.24Å; L447-F454 HydrophobicContact CD2-CD2 4.23Å; L447-F454 CarbonylContact O-C 3.52Å; F454-F456 HydrophobicContact CB-CE1 4.43Å; F454-F456 AromaticContact CD1-CE1 3.9Å; F454-F456 HydrophobicContact CD1-CE1 3.9Å; F454-F456 HydrophobicContact CD1-CZ 4.01Å; F454-F456 PolarHBondContact O-N 2.79Å; F454-F456 VanDerWaalsContact O-N 3.08Å; F454-M457 HydrophobicContact CB-CG 4.29Å; F454-M457 HydrophobicContact CB-SD 3.88Å; F454-M457 HydrophobicContact CD1-SD 4.47Å; F454-M457 HydrophobicContact CG-SD 4.43Å; F454-M457 VanDerWaalsContact O-CB 3.29Å; F454-M457 WeakPolarHBondContact O-CB 3.29Å; F454-M457 PolarHBondContact O-N 2.9Å
455	L	92.5	Very high	90.8	Very high	31 Å²	31	48.9 Å²	48.9	16%	0.162	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-53.5	-34.7	179.2	-180	60.7	0	0	0	112.4	V413 L447 P450 M457 W458 K459	V413-L455 HydrophobicContact CB-CD1 4.47Å; V413-L455 HydrophobicContact CG1-CD1 3.8Å; V413-L455 HydrophobicContact CG2-CD1 3.73Å; L447-L455 WeakPolarHBondContact O-CA 3.3Å; L447-L455 PolarHBondContact O-N 2.91Å; P450-L455 HydrophobicContact CB-CD2 3.87Å; L455-M457 PolarHBondContact O-N 2.97Å; L455-M457 VanDerWaalsContact O-N 3.08Å; L455-W458 PolarHBondContact O-N 3.23Å; L455-K459 HydrophobicContact CD1-CB 4.37Å; L455-K459 HydrophobicContact CG-CB 4.49Å; L455-K459 PolarHBondContact O-N 3.26Å
456	F	91.7	Very high	90.7	Very high	16 Å²	16	45.7 Å²	45.7	7%	0.07	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-57.7	-22.8	177.9	69.2	-94.6	0	0	0	113	F454 W458 T540 P546 L551 L554 L555 R563	F454-F456 HydrophobicContact CB-CE1 4.43Å; F454-F456 AromaticContact CD1-CE1 3.9Å; F454-F456 HydrophobicContact CD1-CE1 3.9Å; F454-F456 HydrophobicContact CD1-CZ 4.01Å; F454-F456 PolarHBondContact O-N 2.79Å; F454-F456 VanDerWaalsContact O-N 3.08Å; F456-W458 PolarHBondContact O-N 2.89Å; F456-T540 HydrophobicContact CB-CG2 3.99Å; F456-T540 HydrophobicContact CD1-CG2 4.17Å; F456-T540 HydrophobicContact CD2-CG2 4.02Å; F456-T540 HydrophobicContact CG-CG2 3.8Å; F456-P546 HydrophobicContact CZ-CG 4.38Å; F456-L551 HydrophobicContact CD2-CD2 4.09Å; F456-L551 HydrophobicContact CE1-CD2 4.27Å; F456-L551 HydrophobicContact CE2-CD2 3.42Å; F456-L551 VanDerWaalsContact CE2-CD2 3.42Å; F456-L551 HydrophobicContact CZ-CD2 3.52Å; F456-L554 HydrophobicContact CE2-CD1 4.18Å; F456-L554 HydrophobicContact CZ-CD1 4Å; F456-L555 HydrophobicContact CD2-CD1 4.46Å; F456-L555 HydrophobicContact CD2-CD2 4.25Å; F456-L555 HydrophobicContact CD2-CG 4.46Å; F456-R563 PolarHBondContact O-NH1 2.91Å; F456-R563 PolarHBondContact O-NH2 3.14Å
457	M	91.7	Very high	90.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-66.4	-28.7	175.7	-70.7	-178.6	51.4	0	0	112.5	R433 L434 L437 F454 L455 L554	R433-M457 HydrophobicContact CB-CE 3.78Å; R433-M457 PolarHBondContact NH2-O 3.18Å; L434-M457 HydrophobicContact CD2-CE 4.46Å; L437-M457 HydrophobicContact CD1-CE 4.22Å; L437-M457 HydrophobicContact CD1-SD 3.65Å; L437-M457 HydrophobicContact CD2-SD 4.15Å; L437-M457 HydrophobicContact CG-SD 4.2Å; F454-M457 HydrophobicContact CB-CG 4.29Å; F454-M457 HydrophobicContact CB-SD 3.88Å; F454-M457 HydrophobicContact CD1-SD 4.47Å; F454-M457 HydrophobicContact CG-SD 4.43Å; F454-M457 VanDerWaalsContact O-CB 3.29Å; F454-M457 WeakPolarHBondContact O-CB 3.29Å; F454-M457 PolarHBondContact O-N 2.9Å; L455-M457 PolarHBondContact O-N 2.97Å; L455-M457 VanDerWaalsContact O-N 3.08Å; M457-L554 HydrophobicContact CE-CD2 4.48Å; M457-L554 HydrophobicContact SD-CD2 4.21Å
458	W	90.7	Very high	90.6	Very high	42 Å²	42	47.4 Å²	47.4	16%	0.159	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-28.3	-172.2	-39.8	106.2	0	0	0	112.2	I405 L409 L416 V430 L434 L447 L455 F456	I405-W458 HydrophobicContact CG2-CH2 4.22Å; I405-W458 HydrophobicContact CG2-CZ2 4.33Å; L409-W458 HydrophobicContact CD1-CD2 3.68Å; L409-W458 HydrophobicContact CD1-CE3 3.84Å; L409-W458 HydrophobicContact CD1-CG 4.09Å; L409-W458 HydrophobicContact CD1-CH2 4.42Å; L409-W458 HydrophobicContact CD1-CZ2 4.31Å; L409-W458 HydrophobicContact CD1-CZ3 4.2Å; L409-W458 HydrophobicContact CD2-CB 4.16Å; L409-W458 HydrophobicContact CD2-CD2 4.07Å; L409-W458 HydrophobicContact CD2-CG 3.64Å; L416-W458 HydrophobicContact CD1-CB 4.25Å; L416-W458 VanDerWaalsContact CD1-O 3.26Å; L416-W458 WeakPolarHBondContact CD1-O 3.47Å; L416-W458 HydrophobicContact CD2-CB 4.25Å; V430-W458 HydrophobicContact CG1-CH2 4.07Å; V430-W458 HydrophobicContact CG1-CZ3 4.03Å; L434-W458 HydrophobicContact CD2-CH2 3.98Å; L434-W458 HydrophobicContact CD2-CZ2 4.01Å; L434-W458 HydrophobicContact CG-CH2 4.47Å; L447-W458 HydrophobicContact CD1-CZ2 4.3Å; L447-W458 HydrophobicContact CD2-CZ2 4.29Å; L447-W458 PolarHBondContact O-NE1 2.72Å; L455-W458 PolarHBondContact O-N 3.23Å; F456-W458 PolarHBondContact O-N 2.89Å
459	K	89.7	Confident	90.6	Very high	83 Å²	83	48.1 Å²	48.1	36%	0.361	28%	0.28	S	S	.	.	S	Bend	trans	-127.9	128.7	-173.9	-168.7	169.9	179.3	171	0	111.1	V413 E414 L416 L455 R563	V413-K459 HydrophobicContact CG1-CD 4.06Å; E414-K459 PolarHBondContact O-NZ 3.31Å; L416-K459 HydrophobicContact CD1-CB 4.4Å; L455-K459 HydrophobicContact CD1-CB 4.37Å; L455-K459 HydrophobicContact CG-CB 4.49Å; L455-K459 PolarHBondContact O-N 3.26Å; K459-R563 PolarHBondContact O-NH1 3.4Å
460	S	90.2	Very high	90.7	Very high	64 Å²	64	46.4 Å²	46.4	45%	0.448	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-64.6	147.3	170	-64.7	0	0	0	0	110.7
461	P	91.5	Very high	91.1	Very high	19 Å²	19	47.7 Å²	47.7	12%	0.123	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.2	152.8	-178.3	27.8	-34	0	0	0	112.6	L463 G538	P461-L463 PolarHBondContact O-N 2.91Å; P461-G538 VanDerWaalsContact CG-O 3.25Å; P461-G538 WeakPolarHBondContact CG-O 3.44Å
462	D	91.8	Very high	91.6	Very high	93 Å²	93	50.6 Å²	50.6	50%	0.497	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-70.5	117.3	172.9	175.9	59.7	0	0	0	110.6	A464 T465 C466	D462-A464 VanDerWaalsContact C-N 3.32Å; D462-A464 PolarHBondContact O-N 3.49Å; D462-T465 PolarHBondContact O-N 2.95Å; D462-T465 VanDerWaalsContact OD2-CB 3.27Å; D462-T465 WeakPolarHBondContact OD2-CB 3.48Å; D462-T465 PolarHBondContact OD2-N 3.5Å; D462-T465 PolarHBondContact OD2-OG1 3.18Å; D462-C466 PolarHBondContact O-N 2.74Å; D462-C466 PolarHBondContact O-SG 2.88Å; D462-C466 VanDerWaalsContact O-SG 3.42Å
463	L	95	Very high	92.2	Very high	46 Å²	46	51.1 Å²	51.1	24%	0.241	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-33.5	-172.1	-58.1	-178.4	0	0	0	112.5	P461 C466 E467 N566 L567 F570	P461-L463 PolarHBondContact O-N 2.91Å; L463-C466 PolarHBondContact O-N 3.1Å; L463-E467 PolarHBondContact O-N 2.83Å; L463-N566 HydrophobicContact CD1-CB 4.29Å; L463-L567 HydrophobicContact CD2-CB 4.06Å; L463-L567 HydrophobicContact CD2-CD1 4.29Å; L463-F570 HydrophobicContact CB-CB 4.31Å; L463-F570 HydrophobicContact CB-CD1 3.9Å; L463-F570 HydrophobicContact CB-CD2 3.97Å; L463-F570 HydrophobicContact CB-CE1 4.15Å; L463-F570 HydrophobicContact CB-CE2 4.23Å; L463-F570 HydrophobicContact CB-CG 3.8Å; L463-F570 HydrophobicContact CB-CZ 4.32Å; L463-F570 HydrophobicContact CD1-CB 3.95Å; L463-F570 HydrophobicContact CD1-CD2 4.03Å; L463-F570 HydrophobicContact CD1-CG 4.09Å
464	A	94	Very high	92.1	Very high	51 Å²	51	51.6 Å²	51.6	42%	0.421	27%	0.271	S	S	.	.	H	α-helix	trans	-67.3	-41.2	176.8	0	0	0	0	0	111.5	D462 E467 G468 F570	D462-A464 VanDerWaalsContact C-N 3.32Å; D462-A464 PolarHBondContact O-N 3.49Å; A464-E467 PolarHBondContact O-N 2.97Å; A464-G468 PolarHBondContact O-N 3.4Å; A464-F570 HydrophobicContact CB-CZ 4.3Å
465	T	92.1	Very high	91.7	Very high	77 Å²	77	57.9 Å²	57.9	47%	0.472	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-45.8	172.9	-60.5	0	0	0	0	111.1	D462 E467 G468 V469	D462-T465 PolarHBondContact O-N 2.95Å; D462-T465 VanDerWaalsContact OD2-CB 3.27Å; D462-T465 WeakPolarHBondContact OD2-CB 3.48Å; D462-T465 PolarHBondContact OD2-N 3.5Å; D462-T465 PolarHBondContact OD2-OG1 3.18Å; T465-E467 PolarHBondContact O-N 3.3Å; T465-G468 PolarHBondContact O-N 3.48Å; T465-V469 WeakPolarHBondContact O-CG2 3.42Å; T465-V469 PolarHBondContact O-N 3.44Å
466	C	94.6	Very high	91.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-48.5	175.7	-70.4	0	0	0	0	112.1	D462 L463 G468 V469 I470 L537 L567	D462-C466 PolarHBondContact O-N 2.74Å; D462-C466 PolarHBondContact O-SG 2.88Å; D462-C466 VanDerWaalsContact O-SG 3.42Å; L463-C466 PolarHBondContact O-N 3.1Å; C466-G468 VanDerWaalsContact C-N 3.34Å; C466-G468 PolarHBondContact O-N 2.86Å; C466-V469 PolarHBondContact O-N 2.85Å; C466-I470 WeakPolarHBondContact O-CG1 3.43Å; C466-I470 PolarHBondContact O-N 3.15Å; C466-L537 HydrophobicContact CB-CG 4.26Å; C466-L537 PolarHBondContact SG-O 3.12Å; C466-L567 HydrophobicContact CB-CD1 3.74Å; C466-L567 HydrophobicContact CB-CD2 4.19Å
467	E	95	Very high	91.4	Very high	31 Å²	31	65.6 Å²	65.6	15%	0.145	33%	0.333	C	S	.	.	H	α-helix	trans	-58.7	-44.6	175.9	176.2	-180	-131.3	0	0	111.8	L463 A464 T465 V469 I470 N471 F570 L571 N574	L463-E467 PolarHBondContact O-N 2.83Å; A464-E467 PolarHBondContact O-N 2.97Å; T465-E467 PolarHBondContact O-N 3.3Å; E467-V469 VanDerWaalsContact C-N 3.3Å; E467-V469 PolarHBondContact O-N 3.28Å; E467-I470 PolarHBondContact O-N 2.95Å; E467-I470 VanDerWaalsContact O-N 3.14Å; E467-N471 WeakPolarHBondContact CG-ND2 3.32Å; E467-N471 WeakPolarHBondContact O-CB 3.36Å; E467-N471 PolarHBondContact O-N 3.35Å; E467-N471 PolarHBondContact O-ND2 2.79Å; E467-F570 HydrophobicContact CB-CD1 4.41Å; E467-F570 HydrophobicContact CB-CE1 4.06Å; E467-F570 WeakPolarHBondContact OE2-CE1 3.35Å; E467-L571 HydrophobicContact CB-CD2 3.89Å; E467-L571 HydrophobicContact CG-CD2 3.74Å; E467-N574 VanDerWaalsContact OE1-CB 3.27Å; E467-N574 WeakPolarHBondContact OE1-CB 3.43Å; E467-N574 PolarHBondContact OE1-ND2 3.48Å; E467-N574 PolarHBondContact OE2-ND2 3.4Å
468	G	93.4	Very high	91.4	Very high	40 Å²	40	69 Å²	69	41%	0.412	36%	0.355	S	S	.	.	H	α-helix	trans	-58.3	-40.9	176.8	0	0	0	0	0	112.8	A464 T465 C466 K472	A464-G468 PolarHBondContact O-N 3.4Å; T465-G468 PolarHBondContact O-N 3.48Å; C466-G468 VanDerWaalsContact C-N 3.34Å; C466-G468 PolarHBondContact O-N 2.86Å; G468-K472 VanDerWaalsContact O-CB 3.26Å; G468-K472 WeakPolarHBondContact O-CB 3.34Å; G468-K472 PolarHBondContact O-N 3.03Å; G468-K472 VanDerWaalsContact O-N 3.11Å
469	V	93.1	Very high	91.4	Very high	30 Å²	30	69.6 Å²	69.6	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-67	-44.4	174.3	175.2	0	0	0	0	110.9	T465 C466 E467 N471 K472 R473 L537 E543	T465-V469 WeakPolarHBondContact O-CG2 3.42Å; T465-V469 PolarHBondContact O-N 3.44Å; C466-V469 PolarHBondContact O-N 2.85Å; E467-V469 VanDerWaalsContact C-N 3.3Å; E467-V469 PolarHBondContact O-N 3.28Å; V469-N471 PolarHBondContact O-N 3.39Å; V469-K472 PolarHBondContact O-N 3.45Å; V469-R473 WeakPolarHBondContact O-CB 3.41Å; V469-R473 PolarHBondContact O-N 2.97Å; V469-L537 HydrophobicContact CB-CD1 4.09Å; V469-L537 HydrophobicContact CB-CD2 3.9Å; V469-L537 HydrophobicContact CG1-CD1 4.02Å; V469-L537 HydrophobicContact CG1-CD2 3.72Å; V469-L537 HydrophobicContact CG2-CD1 4.32Å; V469-E543 HydrophobicContact CG1-CG 3.69Å
470	I	93.6	Very high	91.4	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.015	38%	0.377	C	S	.	.	H	α-helix	trans	-55.8	-53.4	176.9	-71.2	170.9	0	0	0	110.6	C466 E467 K472 F474 I482 F486 L534 L537 L567 L571	C466-I470 WeakPolarHBondContact O-CG1 3.43Å; C466-I470 PolarHBondContact O-N 3.15Å; E467-I470 PolarHBondContact O-N 2.95Å; E467-I470 VanDerWaalsContact O-N 3.14Å; I470-K472 VanDerWaalsContact C-N 3.26Å; I470-K472 PolarHBondContact O-N 3.26Å; I470-F474 CarbonylContact O-C 3.55Å; I470-F474 WeakPolarHBondContact O-CA 3.32Å; I470-F474 WeakPolarHBondContact O-CB 3.36Å; I470-F474 PolarHBondContact O-N 3.32Å; I470-I482 HydrophobicContact CG2-CD1 3.65Å; I470-F486 HydrophobicContact CD1-CE2 4.46Å; I470-F486 HydrophobicContact CD1-CZ 4.43Å; I470-L534 HydrophobicContact CD1-CD2 4.31Å; I470-L534 HydrophobicContact CG1-CD2 3.9Å; I470-L537 HydrophobicContact CD1-CD2 4.27Å; I470-L537 HydrophobicContact CG1-CD2 3.65Å; I470-L567 HydrophobicContact CD1-CD2 4.25Å; I470-L571 HydrophobicContact CD1-CD1 3.85Å; I470-L571 HydrophobicContact CD1-CD2 4.45Å
471	N	91.4	Very high	91.5	Very high	87 Å²	87	71.9 Å²	71.9	47%	0.465	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-31.6	-177.9	-70.2	-19.2	0	0	0	112.6	E467 V469 F475	E467-N471 WeakPolarHBondContact CG-ND2 3.32Å; E467-N471 WeakPolarHBondContact O-CB 3.36Å; E467-N471 PolarHBondContact O-N 3.35Å; E467-N471 PolarHBondContact O-ND2 2.79Å; V469-N471 PolarHBondContact O-N 3.39Å; N471-F475 WeakPolarHBondContact O-CB 3.31Å
472	K	91.6	Very high	91.6	Very high	173 Å²	173	71.1 Å²	71.1	75%	0.752	36%	0.362	S	S	*	.	H	α-helix	trans	-84.3	-44.4	-179	-175.4	177.8	179.2	-179.8	0	113.6	G468 V469 I470 F475	G468-K472 VanDerWaalsContact O-CB 3.26Å; G468-K472 WeakPolarHBondContact O-CB 3.34Å; G468-K472 PolarHBondContact O-N 3.03Å; G468-K472 VanDerWaalsContact O-N 3.11Å; V469-K472 PolarHBondContact O-N 3.45Å; I470-K472 VanDerWaalsContact C-N 3.26Å; I470-K472 PolarHBondContact O-N 3.26Å; K472-F475 WeakPolarHBondContact O-CD1 3.22Å
473	R	88.9	Confident	91.7	Very high	160 Å²	160	68.1 Å²	68.1	60%	0.604	35%	0.346	S	S	*	.	H	α-helix	trans	-94	-34.8	-172.1	-87.1	-96.8	-177.7	137.2	-11.3	113.1	V469 E543	V469-R473 WeakPolarHBondContact O-CB 3.41Å; V469-R473 PolarHBondContact O-N 2.97Å; R473-E543 WeakPolarHBondContact CD-OE2 3.24Å; R473-E543 WeakPolarHBondContact CG-OE2 3.22Å; R473-E543 IonicContact CZ-OE1 3.67Å; R473-E543 IonicContact CZ-OE2 3.2Å; R473-E543 IonicContact NE-OE1 3.65Å; R473-E543 IonicContact NE-OE2 3.28Å; R473-E543 PolarHBondContact NE-OE2 2.63Å; R473-E543 IonicContact NH1-OE1 3.85Å; R473-E543 IonicContact NH1-OE2 2.75Å; R473-E543 PolarHBondContact NH1-OE2 3.06Å
474	F	88.1	Confident	91.7	Very high	22 Å²	22	72.3 Å²	72.3	10%	0.096	36%	0.358	C	S	.	.	S	Bend	trans	-108.9	19.8	-172.7	-58.1	-84.8	0	0	0	112.2	I470 K476 I477 I482 T530 H533 L534	I470-F474 CarbonylContact O-C 3.55Å; I470-F474 WeakPolarHBondContact O-CA 3.32Å; I470-F474 WeakPolarHBondContact O-CB 3.36Å; I470-F474 PolarHBondContact O-N 3.32Å; F474-K476 PolarHBondContact O-N 3.21Å; F474-I477 HydrophobicContact CB-CD1 4.37Å; F474-I477 HydrophobicContact CD1-CD1 3.97Å; F474-I477 WeakPolarHBondContact O-CB 3.24Å; F474-I477 PolarHBondContact O-N 2.85Å; F474-I482 HydrophobicContact CB-CD1 4.32Å; F474-T530 HydrophobicContact CD1-CG2 3.77Å; F474-T530 HydrophobicContact CE1-CG2 3.78Å; F474-H533 HydrophobicContact CE1-CB 4.25Å; F474-H533 HydrophobicContact CZ-CB 3.73Å; F474-L534 HydrophobicContact CD1-CD2 4.32Å; F474-L534 HydrophobicContact CD1-CG 4.42Å; F474-L534 HydrophobicContact CD2-CD2 3.89Å; F474-L534 HydrophobicContact CE1-CG 4.39Å; F474-L534 HydrophobicContact CE2-CD2 4.1Å; F474-L534 HydrophobicContact CG-CD2 4Å; F474-L534 HydrophobicContact CZ-CD2 4.41Å
475	F	85.5	Confident	91.8	Very high	145 Å²	145	69.9 Å²	69.9	64%	0.636	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-22.9	179.8	75.2	-88.8	0	0	0	114.9	N471 K472 I477	N471-F475 WeakPolarHBondContact O-CB 3.31Å; K472-F475 WeakPolarHBondContact O-CD1 3.22Å; F475-I477 VanDerWaalsContact C-N 3.27Å
476	K	89.3	Confident	92	Very high	172 Å²	172	66.2 Å²	66.2	75%	0.748	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.2	177.1	-64.2	-172.5	178.7	-177.3	0	113.2	F474	F474-K476 PolarHBondContact O-N 3.21Å
477	I	89	Confident	92.2	Very high	38 Å²	38	67.1 Å²	67.1	20%	0.195	33%	0.325	C	S	.	.	S	Bend	trans	-100	122	-178.7	-52.9	-174.9	0	0	0	107.1	F474 F475 L479 D481 I482 T530	F474-I477 HydrophobicContact CB-CD1 4.37Å; F474-I477 HydrophobicContact CD1-CD1 3.97Å; F474-I477 WeakPolarHBondContact O-CB 3.24Å; F474-I477 PolarHBondContact O-N 2.85Å; F475-I477 VanDerWaalsContact C-N 3.27Å; I477-L479 PolarHBondContact O-N 2.9Å; I477-D481 HydrophobicContact CG2-CB 4.08Å; I477-I482 HydrophobicContact CB-CD1 4.34Å; I477-I482 HydrophobicContact CB-CG1 4.33Å; I477-I482 HydrophobicContact CG2-CD1 4.35Å; I477-I482 HydrophobicContact CG2-CG1 3.79Å; I477-T530 HydrophobicContact CD1-CG2 3.19Å
478	P	90.6	Very high	92.3	Very high	74 Å²	74	66.1 Å²	66.1	48%	0.481	32%	0.321	S	S	.	.			trans	-52.9	134.3	174.2	-25.5	34.3	0	0	0	110.8	Q480 D481 I482	P478-Q480 PolarHBondContact O-N 3.38Å; P478-Q480 VanDerWaalsContact O-N 3.12Å; P478-D481 WeakPolarHBondContact CD-OD2 3.24Å; P478-D481 WeakPolarHBondContact CG-OD2 3.14Å; P478-D481 WeakPolarHBondContact O-CB 3.26Å; P478-D481 PolarHBondContact O-N 2.93Å; P478-I482 PolarHBondContact O-N 2.78Å
479	L	89.9	Confident	92.4	Very high	54 Å²	54	64.2 Å²	64.2	28%	0.283	30%	0.302	S	S	.	.	H	α-helix	trans	-54.8	-35.8	179.9	-179.6	61.6	0	0	0	111.8	I477 D481 I482 L483 L571 C575	I477-L479 PolarHBondContact O-N 2.9Å; L479-D481 VanDerWaalsContact C-N 3.26Å; L479-D481 PolarHBondContact O-N 2.7Å; L479-I482 WeakPolarHBondContact O-CB 3.15Å; L479-I482 PolarHBondContact O-N 3.33Å; L479-I482 VanDerWaalsContact O-N 3.13Å; L479-L483 HydrophobicContact CD1-CG 4.4Å; L479-L483 HydrophobicContact CG-CD1 4.22Å; L479-L483 HydrophobicContact CG-CG 4.27Å; L479-L483 WeakPolarHBondContact O-CG 3.47Å; L479-L483 PolarHBondContact O-N 3.38Å; L479-L571 HydrophobicContact CD1-CD1 4.49Å; L479-C575 HydrophobicContact CD2-CB 3.96Å
480	Q	90.4	Very high	92.6	Very high	149 Å²	149	63.9 Å²	63.9	70%	0.696	30%	0.298	S	S	*	.	H	α-helix	trans	-59	-34.8	176.5	-67.3	-176.5	0.2	0	0	113.2	P478 R484	P478-Q480 PolarHBondContact O-N 3.38Å; P478-Q480 VanDerWaalsContact O-N 3.12Å; Q480-R484 WeakPolarHBondContact O-CB 3.25Å; Q480-R484 PolarHBondContact O-N 2.96Å
481	D	92	Very high	92.7	Very high	46 Å²	46	68.7 Å²	68.7	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-73.4	-36	177.7	-64.1	-30.1	0	0	0	111	I477 P478 L479 R484 L485 V526	I477-D481 HydrophobicContact CG2-CB 4.08Å; P478-D481 WeakPolarHBondContact CD-OD2 3.24Å; P478-D481 WeakPolarHBondContact CG-OD2 3.14Å; P478-D481 WeakPolarHBondContact O-CB 3.26Å; P478-D481 PolarHBondContact O-N 2.93Å; L479-D481 VanDerWaalsContact C-N 3.26Å; L479-D481 PolarHBondContact O-N 2.7Å; D481-R484 PolarHBondContact O-N 3.12Å; D481-R484 IonicContact OD1-NH1 3.78Å; D481-L485 VanDerWaalsContact O-CB 3.3Å; D481-L485 WeakPolarHBondContact O-CB 3.45Å; D481-L485 PolarHBondContact O-N 3.14Å; D481-V526 HydrophobicContact CB-CG2 4.26Å
482	I	93.6	Very high	92.8	Very high	3 Å²	3	65.3 Å²	65.3	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-45.1	172.8	-59.7	-179.2	0	0	0	110.6	I470 F474 I477 P478 L479 L485 F486 L534 L571	I470-I482 HydrophobicContact CG2-CD1 3.65Å; F474-I482 HydrophobicContact CB-CD1 4.32Å; I477-I482 HydrophobicContact CB-CD1 4.34Å; I477-I482 HydrophobicContact CB-CG1 4.33Å; I477-I482 HydrophobicContact CG2-CD1 4.35Å; I477-I482 HydrophobicContact CG2-CG1 3.79Å; P478-I482 PolarHBondContact O-N 2.78Å; L479-I482 WeakPolarHBondContact O-CB 3.15Å; L479-I482 PolarHBondContact O-N 3.33Å; L479-I482 VanDerWaalsContact O-N 3.13Å; I482-L485 WeakPolarHBondContact O-CB 3.27Å; I482-L485 PolarHBondContact O-N 3.4Å; I482-F486 HydrophobicContact CG2-CD2 4.03Å; I482-F486 HydrophobicContact CG2-CE2 3.54Å; I482-F486 HydrophobicContact CG2-CZ 4.02Å; I482-F486 PolarHBondContact O-N 2.84Å; I482-L534 HydrophobicContact CG1-CD1 4.14Å; I482-L534 HydrophobicContact CG2-CD1 4.28Å; I482-L534 HydrophobicContact CG2-CD2 4.48Å; I482-L571 HydrophobicContact CG2-CD1 4.46Å
483	L	94.7	Very high	92.9	Very high	30 Å²	30	57.1 Å²	57.1	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-44.8	176.7	-64.9	176.4	0	0	0	111.3	L479 L485 F486 G487 H568 L571 I572	L479-L483 HydrophobicContact CD1-CG 4.4Å; L479-L483 HydrophobicContact CG-CD1 4.22Å; L479-L483 HydrophobicContact CG-CG 4.27Å; L479-L483 WeakPolarHBondContact O-CG 3.47Å; L479-L483 PolarHBondContact O-N 3.38Å; L483-L485 VanDerWaalsContact C-N 3.31Å; L483-L485 PolarHBondContact O-N 3.11Å; L483-F486 PolarHBondContact O-N 3.49Å; L483-G487 PolarHBondContact O-N 3.28Å; L483-H568 VanDerWaalsContact CD2-CD2 3.47Å; L483-H568 WeakPolarHBondContact CD2-CD2 3.44Å; L483-H568 PolarHBondContact O-NE2 3.48Å; L483-L571 HydrophobicContact CD2-CB 3.93Å; L483-I572 HydrophobicContact CD1-CG1 4.05Å; L483-I572 HydrophobicContact CD2-CG1 3.82Å
484	R	94.8	Very high	93.1	Very high	134 Å²	134	52.4 Å²	52.4	51%	0.506	25%	0.253	S	S	.	.	H	α-helix	trans	-58	-44.5	175.1	-175.9	-176.3	-66.4	152.7	3.3	111.4	Q480 D481 G487 C488	Q480-R484 WeakPolarHBondContact O-CB 3.25Å; Q480-R484 PolarHBondContact O-N 2.96Å; D481-R484 PolarHBondContact O-N 3.12Å; D481-R484 IonicContact OD1-NH1 3.78Å; R484-G487 PolarHBondContact O-N 2.89Å; R484-C488 PolarHBondContact O-N 3.03Å; R484-C488 PolarHBondContact O-SG 3.11Å; R484-C488 VanDerWaalsContact O-SG 3.32Å
485	L	96.3	Very high	93.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-48.8	176.7	172.8	165.8	0	0	0	112.1	D481 I482 L483 G487 C488 F489 V520 V526 V531 L534 I535	D481-L485 VanDerWaalsContact O-CB 3.3Å; D481-L485 WeakPolarHBondContact O-CB 3.45Å; D481-L485 PolarHBondContact O-N 3.14Å; I482-L485 WeakPolarHBondContact O-CB 3.27Å; I482-L485 PolarHBondContact O-N 3.4Å; L483-L485 VanDerWaalsContact C-N 3.31Å; L483-L485 PolarHBondContact O-N 3.11Å; L485-G487 VanDerWaalsContact C-N 3.32Å; L485-G487 PolarHBondContact O-N 3.5Å; L485-C488 PolarHBondContact O-N 3.33Å; L485-F489 PolarHBondContact O-N 3.25Å; L485-V520 HydrophobicContact CG-CG1 4.38Å; L485-V526 HydrophobicContact CD1-CB 4.01Å; L485-V526 HydrophobicContact CD1-CG1 3.98Å; L485-V526 HydrophobicContact CD1-CG2 4.12Å; L485-V531 HydrophobicContact CD1-CB 4.12Å; L485-V531 HydrophobicContact CD1-CG1 4.3Å; L485-V531 HydrophobicContact CD1-CG2 3.62Å; L485-V531 HydrophobicContact CG-CG1 4.47Å; L485-V531 HydrophobicContact CG-CG2 4.36Å; L485-L534 HydrophobicContact CD1-CD1 3.9Å; L485-I535 HydrophobicContact CD2-CG1 4.38Å
486	F	97.2	Very high	93.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-39.5	177.7	-68.2	-34.8	0	0	0	111.8	I470 I482 L483 F489 I490 L534 I564 L567 H568 L571	I470-F486 HydrophobicContact CD1-CE2 4.46Å; I470-F486 HydrophobicContact CD1-CZ 4.43Å; I482-F486 HydrophobicContact CG2-CD2 4.03Å; I482-F486 HydrophobicContact CG2-CE2 3.54Å; I482-F486 HydrophobicContact CG2-CZ 4.02Å; I482-F486 PolarHBondContact O-N 2.84Å; L483-F486 PolarHBondContact O-N 3.49Å; F486-F489 PolarHBondContact O-N 3.24Å; F486-I490 WeakPolarHBondContact O-CD1 3.31Å; F486-I490 VanDerWaalsContact O-CG1 3.25Å; F486-I490 WeakPolarHBondContact O-CG1 3.42Å; F486-I490 PolarHBondContact O-N 2.71Å; F486-L534 HydrophobicContact CE1-CB 4.12Å; F486-L534 HydrophobicContact CZ-CB 4.26Å; F486-I564 HydrophobicContact CB-CG2 3.85Å; F486-I564 HydrophobicContact CD1-CG2 3.64Å; F486-I564 HydrophobicContact CE1-CD1 4.48Å; F486-I564 HydrophobicContact CE1-CG2 4.44Å; F486-I564 HydrophobicContact CG-CG2 3.92Å; F486-L567 HydrophobicContact CE2-CD2 4.06Å; F486-L567 HydrophobicContact CE2-CG 4.19Å; F486-L567 HydrophobicContact CZ-CD2 3.83Å; F486-L567 HydrophobicContact CZ-CG 4.45Å; F486-H568 HydrophobicContact CB-CB 4.02Å; F486-H568 HydrophobicContact CD2-CB 4.33Å; F486-L571 HydrophobicContact CD2-CD1 4.35Å; F486-L571 HydrophobicContact CE2-CD1 3.76Å
487	G	96.9	Very high	93.2	Very high	18 Å²	18	44.5 Å²	44.5	19%	0.186	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-50.4	171.7	0	0	0	0	0	112.8	L483 R484 L485 F489 I490 E491	L483-G487 PolarHBondContact O-N 3.28Å; R484-G487 PolarHBondContact O-N 2.89Å; L485-G487 VanDerWaalsContact C-N 3.32Å; L485-G487 PolarHBondContact O-N 3.5Å; G487-F489 VanDerWaalsContact C-N 3.32Å; G487-F489 PolarHBondContact O-N 2.93Å; G487-I490 PolarHBondContact O-N 2.93Å; G487-E491 WeakPolarHBondContact O-CG 3.12Å; G487-E491 PolarHBondContact O-N 3.26Å
488	C	97.1	Very high	93	Very high	11 Å²	11	50.9 Å²	50.9	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-42.4	176.3	-68.3	0	0	0	0	112	R484 L485 E491 E492 V520 R523	R484-C488 PolarHBondContact O-N 3.03Å; R484-C488 PolarHBondContact O-SG 3.11Å; R484-C488 VanDerWaalsContact O-SG 3.32Å; L485-C488 PolarHBondContact O-N 3.33Å; C488-E491 PolarHBondContact O-N 3.29Å; C488-E492 WeakPolarHBondContact O-CG 3.18Å; C488-E492 PolarHBondContact O-N 3.18Å; C488-V520 HydrophobicContact CB-CG1 4.28Å; C488-R523 HydrophobicContact CB-CB 4.49Å
489	F	97.1	Very high	92.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-48.3	176.9	178.5	-93.1	0	0	0	112.2	L485 F486 G487 E491 E492 M493 L517 V520 I535 I552 V560 I564	L485-F489 PolarHBondContact O-N 3.25Å; F486-F489 PolarHBondContact O-N 3.24Å; G487-F489 VanDerWaalsContact C-N 3.32Å; G487-F489 PolarHBondContact O-N 2.93Å; F489-E491 VanDerWaalsContact C-N 3.3Å; F489-E491 PolarHBondContact O-N 2.79Å; F489-E492 PolarHBondContact O-N 2.98Å; F489-M493 HydrophobicContact CD1-CG 4Å; F489-M493 HydrophobicContact CD2-CE 4.29Å; F489-M493 HydrophobicContact CD2-CG 4.41Å; F489-M493 HydrophobicContact CE1-CG 3.53Å; F489-M493 HydrophobicContact CE1-SD 4.44Å; F489-M493 HydrophobicContact CE2-CE 3.85Å; F489-M493 HydrophobicContact CE2-CG 3.99Å; F489-M493 HydrophobicContact CE2-SD 4.07Å; F489-M493 HydrophobicContact CG-CG 4.43Å; F489-M493 HydrophobicContact CZ-CE 4.24Å; F489-M493 HydrophobicContact CZ-CG 3.53Å; F489-M493 HydrophobicContact CZ-SD 3.84Å; F489-M493 WeakPolarHBondContact O-CG 3.36Å; F489-M493 PolarHBondContact O-N 2.82Å; F489-L517 HydrophobicContact CD2-CD2 4.17Å; F489-L517 HydrophobicContact CE2-CD2 3.95Å; F489-V520 HydrophobicContact CB-CG1 4.26Å; F489-V520 HydrophobicContact CB-CG2 4.2Å; F489-V520 HydrophobicContact CD2-CG2 4.34Å; F489-I535 HydrophobicContact CD2-CD1 3.45Å; F489-I535 VanDerWaalsContact CD2-CD1 3.45Å; F489-I535 HydrophobicContact CD2-CG1 4.04Å; F489-I535 HydrophobicContact CD2-CG2 4.43Å; F489-I535 HydrophobicContact CE2-CD1 3.83Å; F489-I535 HydrophobicContact CE2-CG1 4.35Å; F489-I535 HydrophobicContact CE2-CG2 3.91Å; F489-I535 HydrophobicContact CG-CD1 4.22Å; F489-I535 HydrophobicContact CG-CG1 4.42Å; F489-I535 HydrophobicContact CZ-CG2 4.06Å; F489-I552 HydrophobicContact CE2-CD1 4.06Å; F489-I552 HydrophobicContact CZ-CD1 4.19Å; F489-V560 HydrophobicContact CE1-CG2 4.43Å; F489-V560 HydrophobicContact CZ-CG2 4.29Å; F489-I564 HydrophobicContact CD1-CB 3.99Å; F489-I564 HydrophobicContact CD1-CG1 3.81Å; F489-I564 HydrophobicContact CD1-CG2 3.87Å; F489-I564 HydrophobicContact CE1-CB 4.14Å; F489-I564 HydrophobicContact CE1-CG1 3.6Å; F489-I564 HydrophobicContact CE1-CG2 4.5Å; F489-I564 HydrophobicContact CZ-CG1 4.48Å
490	I	96.5	Very high	91.8	Very high	22 Å²	22	55.8 Å²	55.8	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-42.4	178.8	-69.4	161.4	0	0	0	110.8	F486 G487 N494 T561 I564 N565 H568	F486-I490 WeakPolarHBondContact O-CD1 3.31Å; F486-I490 VanDerWaalsContact O-CG1 3.25Å; F486-I490 WeakPolarHBondContact O-CG1 3.42Å; F486-I490 PolarHBondContact O-N 2.71Å; G487-I490 PolarHBondContact O-N 2.93Å; I490-N494 WeakPolarHBondContact CG2-ND2 3.4Å; I490-N494 WeakPolarHBondContact O-CB 3.47Å; I490-N494 PolarHBondContact O-N 2.83Å; I490-N494 PolarHBondContact O-ND2 2.98Å; I490-T561 HydrophobicContact CG1-CG2 4.49Å; I490-T561 HydrophobicContact CG2-CG2 3.94Å; I490-I564 HydrophobicContact CD1-CG2 4.25Å; I490-I564 HydrophobicContact CG1-CG2 4.1Å; I490-N565 HydrophobicContact CD1-CB 3.9Å; I490-H568 HydrophobicContact CD1-CB 4.48Å
491	E	95.8	Very high	90.6	Very high	104 Å²	104	56.8 Å²	56.8	49%	0.486	27%	0.267	S	S	.	.	H	α-helix	trans	-64.4	-45.2	177.6	-72.4	176.1	-167.5	0	0	112.7	G487 C488 F489 N494 H495 R523	G487-E491 WeakPolarHBondContact O-CG 3.12Å; G487-E491 PolarHBondContact O-N 3.26Å; C488-E491 PolarHBondContact O-N 3.29Å; F489-E491 VanDerWaalsContact C-N 3.3Å; F489-E491 PolarHBondContact O-N 2.79Å; E491-N494 PolarHBondContact O-N 2.83Å; E491-H495 WeakPolarHBondContact O-CB 3.43Å; E491-H495 PolarHBondContact O-N 3.2Å; E491-R523 IonicContact OE2-CZ 3.54Å; E491-R523 IonicContact OE2-NH1 3.56Å; E491-R523 IonicContact OE2-NH2 2.65Å; E491-R523 PolarHBondContact OE2-NH2 2.87Å
492	E	94.7	Very high	88.9	Confident	17 Å²	17	56.6 Å²	56.6	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-43.1	177.6	-69.6	-65.4	142.2	0	0	111.6	C488 F489 N494 H495 I496 N519 V520 R523	C488-E492 WeakPolarHBondContact O-CG 3.18Å; C488-E492 PolarHBondContact O-N 3.18Å; F489-E492 PolarHBondContact O-N 2.98Å; E492-N494 PolarHBondContact O-N 2.76Å; E492-H495 WeakPolarHBondContact O-CB 3.38Å; E492-H495 PolarHBondContact O-N 2.68Å; E492-H495 VanDerWaalsContact O-N 3.17Å; E492-I496 WeakPolarHBondContact O-CG1 3.31Å; E492-I496 PolarHBondContact O-N 3.46Å; E492-N519 HydrophobicContact CG-CB 4.38Å; E492-N519 PolarHBondContact OE2-ND2 3.4Å; E492-V520 HydrophobicContact CB-CG2 4.12Å; E492-V520 HydrophobicContact CG-CG2 3.71Å; E492-R523 IonicContact OE1-CZ 2.71Å; E492-R523 IonicContact OE1-NH1 3.67Å; E492-R523 PolarHBondContact OE1-NH1 3.04Å
493	M	93.7	Very high	87	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-42.7	177.1	-69	-53.6	105.8	0	0	111.9	F489 H495 I496 L497 I552 I557 V560 T561	F489-M493 HydrophobicContact CD1-CG 4Å; F489-M493 HydrophobicContact CD2-CE 4.29Å; F489-M493 HydrophobicContact CD2-CG 4.41Å; F489-M493 HydrophobicContact CE1-CG 3.53Å; F489-M493 HydrophobicContact CE1-SD 4.44Å; F489-M493 HydrophobicContact CE2-CE 3.85Å; F489-M493 HydrophobicContact CE2-CG 3.99Å; F489-M493 HydrophobicContact CE2-SD 4.07Å; F489-M493 HydrophobicContact CG-CG 4.43Å; F489-M493 HydrophobicContact CZ-CE 4.24Å; F489-M493 HydrophobicContact CZ-CG 3.53Å; F489-M493 HydrophobicContact CZ-SD 3.84Å; F489-M493 WeakPolarHBondContact O-CG 3.36Å; F489-M493 PolarHBondContact O-N 2.82Å; M493-H495 VanDerWaalsContact C-N 3.29Å; M493-H495 PolarHBondContact O-N 3.5Å; M493-I496 HydrophobicContact CE-CD1 3.78Å; M493-I496 PolarHBondContact O-N 3.22Å; M493-I496 HydrophobicContact SD-CD1 4.23Å; M493-L497 PolarHBondContact O-N 3.19Å; M493-I552 HydrophobicContact CE-CD1 4.49Å; M493-I552 HydrophobicContact SD-CD1 4.3Å; M493-I552 HydrophobicContact SD-CG2 4.39Å; M493-I557 HydrophobicContact CB-CG2 4.17Å; M493-I557 WeakPolarHBondContact O-CG2 3.43Å; M493-V560 HydrophobicContact CG-CG2 4.31Å; M493-V560 HydrophobicContact SD-CG2 4.29Å; M493-T561 WeakPolarHBondContact CB-OG1 3.09Å
494	N	92	Very high	85.1	Confident	61 Å²	61	64.5 Å²	64.5	33%	0.326	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-32.5	174.4	-78.4	-51.5	0	0	0	112.7	I490 E491 E492 K498	I490-N494 WeakPolarHBondContact CG2-ND2 3.4Å; I490-N494 WeakPolarHBondContact O-CB 3.47Å; I490-N494 PolarHBondContact O-N 2.83Å; I490-N494 PolarHBondContact O-ND2 2.98Å; E491-N494 PolarHBondContact O-N 2.83Å; E492-N494 PolarHBondContact O-N 2.76Å; N494-K498 WeakPolarHBondContact O-CG 3.47Å; N494-K498 PolarHBondContact O-N 2.92Å; N494-K498 VanDerWaalsContact O-N 3.13Å
495	H	91	Very high	83	Confident	111 Å²	111	58.5 Å²	58.5	51%	0.514	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-45.5	174.6	-175.1	73.3	0	0	0	111.5	E491 E492 M493 L497 K498 K499	E491-H495 WeakPolarHBondContact O-CB 3.43Å; E491-H495 PolarHBondContact O-N 3.2Å; E492-H495 WeakPolarHBondContact O-CB 3.38Å; E492-H495 PolarHBondContact O-N 2.68Å; E492-H495 VanDerWaalsContact O-N 3.17Å; M493-H495 VanDerWaalsContact C-N 3.29Å; M493-H495 PolarHBondContact O-N 3.5Å; H495-L497 VanDerWaalsContact C-N 3.34Å; H495-L497 PolarHBondContact O-N 3.48Å; H495-K498 PolarHBondContact O-N 2.97Å; H495-K499 WeakPolarHBondContact O-CB 3.34Å; H495-K499 PolarHBondContact O-N 3.19Å
496	I	88.3	Confident	81	Confident	3 Å²	3	59 Å²	59	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-48	175.1	-61.9	163.3	0	0	0	110.2	E492 M493 K498 K499 E500 L508 V512 S516 I557	E492-I496 WeakPolarHBondContact O-CG1 3.31Å; E492-I496 PolarHBondContact O-N 3.46Å; M493-I496 HydrophobicContact CE-CD1 3.78Å; M493-I496 PolarHBondContact O-N 3.22Å; M493-I496 HydrophobicContact SD-CD1 4.23Å; I496-K498 VanDerWaalsContact C-N 3.29Å; I496-K498 PolarHBondContact O-N 3.34Å; I496-K499 PolarHBondContact O-N 3.45Å; I496-E500 HydrophobicContact CG2-CG 4.02Å; I496-E500 PolarHBondContact O-N 3.29Å; I496-L508 HydrophobicContact CG2-CD2 3.85Å; I496-V512 HydrophobicContact CD1-CG1 4.33Å; I496-V512 HydrophobicContact CG1-CG1 4.08Å; I496-V512 HydrophobicContact CG2-CG1 4.24Å; I496-S516 WeakPolarHBondContact CD1-OG 2.98Å; I496-I557 HydrophobicContact CB-CD1 3.88Å; I496-I557 HydrophobicContact CG2-CD1 3.37Å
497	L	84.9	Confident	79.3	Confident	59 Å²	59	65.6 Å²	65.6	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-57.5	-41.6	-179	-169.6	63.7	0	0	0	112.5	M493 H495 I557 P558	M493-L497 PolarHBondContact O-N 3.19Å; H495-L497 VanDerWaalsContact C-N 3.34Å; H495-L497 PolarHBondContact O-N 3.48Å; L497-I557 HydrophobicContact CB-CG2 3.98Å; L497-I557 HydrophobicContact CD1-CG2 4.27Å; L497-I557 HydrophobicContact CG-CG2 4.49Å; L497-P558 HydrophobicContact CD1-CG 4.39Å
498	K	86.6	Confident	78.1	Confident	172 Å²	172	65.1 Å²	65.1	75%	0.748	32%	0.32	S	S	*	.	H	α-helix	trans	-70	-40.3	177.7	-73.6	176.6	-176.8	178.9	0	112.9	N494 H495 I496	N494-K498 WeakPolarHBondContact O-CG 3.47Å; N494-K498 PolarHBondContact O-N 2.92Å; N494-K498 VanDerWaalsContact O-N 3.13Å; H495-K498 PolarHBondContact O-N 2.97Å; I496-K498 VanDerWaalsContact C-N 3.29Å; I496-K498 PolarHBondContact O-N 3.34Å
499	K	81.8	Confident	77.2	Confident	149 Å²	149	68.8 Å²	68.8	65%	0.648	34%	0.339	S	S	*	.	H	α-helix	trans	-72.8	-42.9	-174.3	-173	-177.4	177.1	-172.1	0	112.1	H495 I496	H495-K499 WeakPolarHBondContact O-CB 3.34Å; H495-K499 PolarHBondContact O-N 3.19Å; I496-K499 PolarHBondContact O-N 3.45Å
500	E	72.1	Confident	76.6	Confident	83 Å²	83	71.1 Å²	71.1	39%	0.388	36%	0.355	S	S	.	.	H	α-helix	trans	-83.2	-13.3	-171.8	-65.9	-68	151.1	0	0	113	I496 V502	I496-E500 HydrophobicContact CG2-CG 4.02Å; I496-E500 PolarHBondContact O-N 3.29Å; E500-V502 HydrophobicContact CB-CB 4.04Å; E500-V502 HydrophobicContact CB-CG2 3.55Å; E500-V502 WeakPolarHBondContact O-CG2 3.42Å; E500-V502 PolarHBondContact O-N 2.91Å
501	Q	65	Low	76.3	Confident	170 Å²	170	75.2 Å²	75.2	79%	0.794	38%	0.377	S	S	*	.			trans	48.9	21.3	-169.1	-60.9	-174.5	7.4	0	0	113.3	N503	Q501-N503 PolarHBondContact O-N 2.94Å; Q501-N503 VanDerWaalsContact O-N 3.11Å
502	V	56.9	Low	75.9	Confident	42 Å²	42	72.4 Å²	72.4	26%	0.255	37%	0.367	S	S	.	.			trans	-78.4	101.8	-173.3	168.2	0	0	0	0	108.8	E500 D504	E500-V502 HydrophobicContact CB-CB 4.04Å; E500-V502 HydrophobicContact CB-CG2 3.55Å; E500-V502 WeakPolarHBondContact O-CG2 3.42Å; E500-V502 PolarHBondContact O-N 2.91Å; V502-D504 WeakPolarHBondContact CG1-O 3.49Å; V502-D504 PolarHBondContact O-N 3.29Å
503	N	54.9	Low	75.7	Confident	169 Å²	169	71.6 Å²	71.6	90%	0.904	36%	0.363	S	S	*	.	S	Bend	trans	-69.8	-16.2	172.4	-78.1	-18.2	0	0	0	112.8	Q501	Q501-N503 PolarHBondContact O-N 2.94Å; Q501-N503 VanDerWaalsContact O-N 3.11Å
504	D	54	Low	75.7	Confident	30 Å²	30	73.8 Å²	73.8	16%	0.16	38%	0.377	C	S	.	.	S	Bend	trans	-142.1	83.9	-171.6	-148.5	-1	0	0	0	111	Q425 H429 R432 V502 T506	Q425-D504 PolarHBondContact NE2-OD2 2.92Å; Q425-D504 VanDerWaalsContact NE2-OD2 3.09Å; H429-D504 IonicContact CE1-OD1 2.82Å; H429-D504 IonicContact CG-OD1 3.28Å; H429-D504 IonicContact ND1-OD1 2.61Å; H429-D504 PolarHBondContact ND1-OD1 3.42Å; R432-D504 IonicContact NH1-OD2 2.64Å; R432-D504 PolarHBondContact NH1-OD2 3.46Å; V502-D504 WeakPolarHBondContact CG1-O 3.49Å; V502-D504 PolarHBondContact O-N 3.29Å; D504-T506 PolarHBondContact O-N 2.88Å
505	S	51.3	Low	75.7	Confident	7 Å²	7	74.2 Å²	74.2	5%	0.049	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-50.7	4.6	-168.7	60.2	0	0	0	0	121.5	L508 S556	S505-L508 WeakPolarHBondContact O-CD1 3.45Å; S505-L508 VanDerWaalsContact O-CG 3.31Å; S505-L508 WeakPolarHBondContact O-CG 3.39Å; S505-S556 WeakPolarHBondContact OG-CA 3.27Å; S505-S556 WeakPolarHBondContact OG-CB 3.29Å
506	T	54.4	Low	75.8	Confident	11 Å²	11	69.3 Å²	69.3	7%	0.067	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-80.3	-25.2	-172.3	40.1	0	0	0	0	113.4	R432 R433 D504 L508	R432-T506 HydrophobicContact CB-CG2 3.99Å; R432-T506 WeakPolarHBondContact CD-OG1 3.31Å; R433-T506 HydrophobicContact CG-CG2 4.11Å; D504-T506 PolarHBondContact O-N 2.88Å; T506-L508 VanDerWaalsContact C-N 3.28Å; T506-L508 PolarHBondContact O-N 3.26Å
507	D	60.7	Low	76.1	Confident	138 Å²	138	69.3 Å²	69.3	74%	0.738	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-88.4	21.9	179.4	-73.8	-28.7	0	0	0	114	N509	D507-N509 PolarHBondContact O-N 2.92Å
508	L	70.6	Confident	76.5	Confident	8 Å²	8	69.5 Å²	69.5	4%	0.042	36%	0.362	C	S	.	.			trans	-66.9	122.3	178.3	-72.1	162.6	0	0	0	110.9	I496 S505 T506 S510 I513 Q553 I557	I496-L508 HydrophobicContact CG2-CD2 3.85Å; S505-L508 WeakPolarHBondContact O-CD1 3.45Å; S505-L508 VanDerWaalsContact O-CG 3.31Å; S505-L508 WeakPolarHBondContact O-CG 3.39Å; T506-L508 VanDerWaalsContact C-N 3.28Å; T506-L508 PolarHBondContact O-N 3.26Å; L508-S510 PolarHBondContact O-N 3.12Å; L508-I513 HydrophobicContact CB-CD1 3.89Å; L508-I513 HydrophobicContact CB-CG1 4.35Å; L508-Q553 PolarHBondContact O-NE2 2.97Å; L508-I557 HydrophobicContact CD1-CD1 3.35Å; L508-I557 HydrophobicContact CD1-CG1 3.51Å; L508-I557 HydrophobicContact CD2-CD1 3.63Å; L508-I557 HydrophobicContact CG-CD1 4.14Å
509	N	78.3	Confident	76.9	Confident	89 Å²	89	64.3 Å²	64.3	48%	0.476	34%	0.342	S	S	.	.			trans	-60.2	123	174.7	-177.7	-9.2	0	0	0	110	D507 D511 V512 I513	D507-N509 PolarHBondContact O-N 2.92Å; N509-D511 PolarHBondContact O-N 2.54Å; N509-D511 VanDerWaalsContact O-N 3.1Å; N509-D511 WeakPolarHBondContact OD1-CB 3.38Å; N509-D511 PolarHBondContact OD1-N 2.97Å; N509-V512 HydrophobicContact CB-CG2 4.09Å; N509-V512 WeakPolarHBondContact O-CB 3.3Å; N509-V512 PolarHBondContact O-N 2.97Å; N509-I513 PolarHBondContact O-N 3.37Å
510	S	86.1	Confident	77.6	Confident	48 Å²	48	57.2 Å²	57.2	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-53.7	-29.4	178.1	-58.1	0	0	0	0	113.2	L508 T514 Q553	L508-S510 PolarHBondContact O-N 3.12Å; S510-T514 VanDerWaalsContact O-CB 3.3Å; S510-T514 WeakPolarHBondContact O-CB 3.44Å; S510-T514 PolarHBondContact O-N 3.17Å; S510-T514 PolarHBondContact O-OG1 2.76Å; S510-Q553 PolarHBondContact OG-NE2 3.47Å
511	D	88.3	Confident	78.6	Confident	109 Å²	109	53.8 Å²	53.8	58%	0.583	30%	0.296	S	S	*	.	H	α-helix	trans	-67.7	-37.6	177.3	-65.8	-27.8	0	0	0	112.4	N509 T514 S515	N509-D511 PolarHBondContact O-N 2.54Å; N509-D511 VanDerWaalsContact O-N 3.1Å; N509-D511 WeakPolarHBondContact OD1-CB 3.38Å; N509-D511 PolarHBondContact OD1-N 2.97Å; D511-T514 PolarHBondContact O-N 2.79Å; D511-S515 WeakPolarHBondContact O-CB 3.5Å; D511-S515 PolarHBondContact O-N 2.8Å; D511-S515 PolarHBondContact O-OG 3.39Å
512	V	89	Confident	80	Confident	44 Å²	44	51.9 Å²	51.9	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	-47.3	177.8	176.4	0	0	0	0	109.6	I496 N509 T514 S515 S516	I496-V512 HydrophobicContact CD1-CG1 4.33Å; I496-V512 HydrophobicContact CG1-CG1 4.08Å; I496-V512 HydrophobicContact CG2-CG1 4.24Å; N509-V512 HydrophobicContact CB-CG2 4.09Å; N509-V512 WeakPolarHBondContact O-CB 3.3Å; N509-V512 PolarHBondContact O-N 2.97Å; V512-T514 VanDerWaalsContact C-N 3.33Å; V512-T514 PolarHBondContact O-N 3.46Å; V512-S515 PolarHBondContact O-N 3.44Å; V512-S516 PolarHBondContact O-N 3.47Å
513	I	90.6	Very high	81.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-43.6	177.5	-58.4	172.2	0	0	0	110.4	L508 N509 S515 S516 L517 V549 I552 Q553	L508-I513 HydrophobicContact CB-CD1 3.89Å; L508-I513 HydrophobicContact CB-CG1 4.35Å; N509-I513 PolarHBondContact O-N 3.37Å; I513-S515 VanDerWaalsContact C-N 3.35Å; I513-S515 PolarHBondContact O-N 3.14Å; I513-S516 PolarHBondContact O-N 3.08Å; I513-L517 HydrophobicContact CG2-CD1 4.09Å; I513-L517 HydrophobicContact CG2-CG 4.42Å; I513-L517 WeakPolarHBondContact O-CG 3.49Å; I513-L517 PolarHBondContact O-N 3.48Å; I513-V549 HydrophobicContact CB-CG1 4.18Å; I513-V549 HydrophobicContact CD1-CG1 4.29Å; I513-V549 HydrophobicContact CG2-CB 4.31Å; I513-V549 HydrophobicContact CG2-CG1 4.14Å; I513-V549 HydrophobicContact CG2-CG2 4.13Å; I513-I552 HydrophobicContact CD1-CB 4.3Å; I513-I552 HydrophobicContact CD1-CG2 3.88Å; I513-I552 HydrophobicContact CG1-CG2 4.32Å; I513-I552 HydrophobicContact CG2-CB 4.27Å; I513-I552 HydrophobicContact CG2-CD1 3.52Å; I513-I552 HydrophobicContact CG2-CG1 4.49Å; I513-I552 HydrophobicContact CG2-CG2 4.28Å; I513-Q553 HydrophobicContact CD1-CG 3.68Å
514	T	92.9	Very high	83.6	Confident	47 Å²	47	47.3 Å²	47.3	29%	0.288	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-42.3	179.3	-61	0	0	0	0	111.7	S510 D511 V512 L517 Q518	S510-T514 VanDerWaalsContact O-CB 3.3Å; S510-T514 WeakPolarHBondContact O-CB 3.44Å; S510-T514 PolarHBondContact O-N 3.17Å; S510-T514 PolarHBondContact O-OG1 2.76Å; D511-T514 PolarHBondContact O-N 2.79Å; V512-T514 VanDerWaalsContact C-N 3.33Å; V512-T514 PolarHBondContact O-N 3.46Å; T514-L517 PolarHBondContact O-N 2.91Å; T514-Q518 PolarHBondContact O-N 3.35Å
515	S	92.8	Very high	85.3	Confident	70 Å²	70	49.2 Å²	49.2	49%	0.49	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-44	177.2	-58.2	0	0	0	0	111.4	D511 V512 I513 Q518 N519	D511-S515 WeakPolarHBondContact O-CB 3.5Å; D511-S515 PolarHBondContact O-N 2.8Å; D511-S515 PolarHBondContact O-OG 3.39Å; V512-S515 PolarHBondContact O-N 3.44Å; I513-S515 VanDerWaalsContact C-N 3.35Å; I513-S515 PolarHBondContact O-N 3.14Å; S515-Q518 WeakPolarHBondContact O-CB 3.34Å; S515-Q518 PolarHBondContact O-N 3.02Å; S515-N519 PolarHBondContact O-N 2.81Å
516	S	92.3	Very high	87.2	Confident	8 Å²	8	49.7 Å²	49.7	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-41.6	175.2	-76.5	0	0	0	0	112.5	I496 V512 I513 Q518 N519 V520	I496-S516 WeakPolarHBondContact CD1-OG 2.98Å; V512-S516 PolarHBondContact O-N 3.47Å; I513-S516 PolarHBondContact O-N 3.08Å; S516-Q518 VanDerWaalsContact C-N 3.26Å; S516-Q518 PolarHBondContact O-N 2.85Å; S516-N519 WeakPolarHBondContact O-CB 3.47Å; S516-N519 PolarHBondContact O-N 3.43Å; S516-V520 WeakPolarHBondContact O-CG2 3.45Å; S516-V520 PolarHBondContact O-N 3.42Å
517	L	94.4	Very high	88.9	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-34.2	174.5	-72.1	172.1	0	0	0	112.1	F489 I513 T514 V520 C521 L532 I535 V548 V549 I552	F489-L517 HydrophobicContact CD2-CD2 4.17Å; F489-L517 HydrophobicContact CE2-CD2 3.95Å; I513-L517 HydrophobicContact CG2-CD1 4.09Å; I513-L517 HydrophobicContact CG2-CG 4.42Å; I513-L517 WeakPolarHBondContact O-CG 3.49Å; I513-L517 PolarHBondContact O-N 3.48Å; T514-L517 PolarHBondContact O-N 2.91Å; L517-V520 PolarHBondContact O-N 2.91Å; L517-C521 PolarHBondContact O-N 3.32Å; L517-C521 VanDerWaalsContact O-N 3.17Å; L517-C521 PolarHBondContact O-SG 3.1Å; L517-L532 HydrophobicContact CD1-CD2 4.16Å; L517-I535 HydrophobicContact CD2-CD1 3.7Å; L517-V548 HydrophobicContact CD1-CB 4.36Å; L517-V548 HydrophobicContact CD1-CG1 4.05Å; L517-V548 HydrophobicContact CD2-CG1 4.15Å; L517-V549 HydrophobicContact CD1-CG2 3.84Å; L517-I552 HydrophobicContact CD1-CD1 4.43Å; L517-I552 HydrophobicContact CD2-CD1 4.41Å
518	Q	94.4	Very high	90.5	Very high	63 Å²	63	54.2 Å²	54.2	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-64.9	-44.7	173.4	-177.3	60.4	31.6	0	0	111.3	T514 S515 S516 V520 C521 E522	T514-Q518 PolarHBondContact O-N 3.35Å; S515-Q518 WeakPolarHBondContact O-CB 3.34Å; S515-Q518 PolarHBondContact O-N 3.02Å; S516-Q518 VanDerWaalsContact C-N 3.26Å; S516-Q518 PolarHBondContact O-N 2.85Å; Q518-V520 VanDerWaalsContact C-N 3.31Å; Q518-V520 PolarHBondContact O-N 2.91Å; Q518-C521 WeakPolarHBondContact O-CB 3.18Å; Q518-C521 PolarHBondContact O-N 3.29Å; Q518-C521 VanDerWaalsContact O-N 3.09Å; Q518-E522 WeakPolarHBondContact CG-OE1 2.9Å; Q518-E522 PolarHBondContact NE2-OE1 3.21Å; Q518-E522 PolarHBondContact O-N 2.91Å
519	N	94.9	Very high	91.5	Very high	63 Å²	63	60.1 Å²	60.1	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-40.8	173.8	-65.4	-16	0	0	0	112.1	E492 S515 S516 C521 E522 R523	E492-N519 HydrophobicContact CG-CB 4.38Å; E492-N519 PolarHBondContact OE2-ND2 3.4Å; S515-N519 PolarHBondContact O-N 2.81Å; S516-N519 WeakPolarHBondContact O-CB 3.47Å; S516-N519 PolarHBondContact O-N 3.43Å; N519-C521 VanDerWaalsContact C-N 3.29Å; N519-C521 PolarHBondContact O-N 3.37Å; N519-E522 PolarHBondContact O-N 3.3Å; N519-R523 VanDerWaalsContact O-CB 3.31Å; N519-R523 WeakPolarHBondContact O-CB 3.46Å; N519-R523 WeakPolarHBondContact O-CG 3.1Å; N519-R523 PolarHBondContact O-N 3.2Å
520	V	95.5	Very high	92.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-42.5	175	176.4	0	0	0	0	110.9	L485 C488 F489 E492 S516 L517 Q518 S524 V531	L485-V520 HydrophobicContact CG-CG1 4.38Å; C488-V520 HydrophobicContact CB-CG1 4.28Å; F489-V520 HydrophobicContact CB-CG1 4.26Å; F489-V520 HydrophobicContact CB-CG2 4.2Å; F489-V520 HydrophobicContact CD2-CG2 4.34Å; E492-V520 HydrophobicContact CB-CG2 4.12Å; E492-V520 HydrophobicContact CG-CG2 3.71Å; S516-V520 WeakPolarHBondContact O-CG2 3.45Å; S516-V520 PolarHBondContact O-N 3.42Å; L517-V520 PolarHBondContact O-N 2.91Å; Q518-V520 VanDerWaalsContact C-N 3.31Å; Q518-V520 PolarHBondContact O-N 2.91Å; V520-S524 WeakPolarHBondContact O-CB 3.17Å; V520-S524 PolarHBondContact O-N 3.11Å; V520-S524 PolarHBondContact O-OG 2.72Å; V520-V531 HydrophobicContact CG1-CG1 3.96Å
521	C	94	Very high	92.6	Very high	11 Å²	11	54.6 Å²	54.6	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-48.2	178.4	-59.6	0	0	0	0	111.2	L517 Q518 N519 S524 G525 V531	L517-C521 PolarHBondContact O-N 3.32Å; L517-C521 VanDerWaalsContact O-N 3.17Å; L517-C521 PolarHBondContact O-SG 3.1Å; Q518-C521 WeakPolarHBondContact O-CB 3.18Å; Q518-C521 PolarHBondContact O-N 3.29Å; Q518-C521 VanDerWaalsContact O-N 3.09Å; N519-C521 VanDerWaalsContact C-N 3.29Å; N519-C521 PolarHBondContact O-N 3.37Å; C521-S524 PolarHBondContact O-OG 3.14Å; C521-G525 PolarHBondContact O-N 2.53Å; C521-G525 VanDerWaalsContact O-N 3.08Å; C521-V531 HydrophobicContact CB-CG2 4.46Å
522	E	94	Very high	92.9	Very high	129 Å²	129	51.4 Å²	51.4	60%	0.603	27%	0.27	S	S	*	.	H	α-helix	trans	-64.3	-42.8	-178.5	-70.5	172.3	-165.8	0	0	112.2	Q518 N519	Q518-E522 WeakPolarHBondContact CG-OE1 2.9Å; Q518-E522 PolarHBondContact NE2-OE1 3.21Å; Q518-E522 PolarHBondContact O-N 2.91Å; N519-E522 PolarHBondContact O-N 3.3Å
523	R	94.4	Very high	93.2	Very high	111 Å²	111	51.6 Å²	51.6	42%	0.419	27%	0.268	S	S	.	.	H	α-helix	trans	-76.2	-32.5	-177.3	-66.2	174.1	63.3	-160.2	-7	113.4	C488 E491 E492 N519	C488-R523 HydrophobicContact CB-CB 4.49Å; E491-R523 IonicContact OE2-CZ 3.54Å; E491-R523 IonicContact OE2-NH1 3.56Å; E491-R523 IonicContact OE2-NH2 2.65Å; E491-R523 PolarHBondContact OE2-NH2 2.87Å; E492-R523 IonicContact OE1-CZ 2.71Å; E492-R523 IonicContact OE1-NH1 3.67Å; E492-R523 PolarHBondContact OE1-NH1 3.04Å; N519-R523 VanDerWaalsContact O-CB 3.31Å; N519-R523 WeakPolarHBondContact O-CB 3.46Å; N519-R523 WeakPolarHBondContact O-CG 3.1Å; N519-R523 PolarHBondContact O-N 3.2Å
524	S	92	Very high	93.4	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.028	27%	0.268	C	S	.	.	H	α-helix	trans	-79.4	-26.2	177.3	63	0	0	0	0	112.9	V520 C521 V526	V520-S524 WeakPolarHBondContact O-CB 3.17Å; V520-S524 PolarHBondContact O-N 3.11Å; V520-S524 PolarHBondContact O-OG 2.72Å; C521-S524 PolarHBondContact O-OG 3.14Å; S524-V526 PolarHBondContact O-N 2.74Å; S524-V526 PolarHBondContact OG-N 2.97Å
525	G	90.3	Very high	93.6	Very high	71 Å²	71	49.3 Å²	49.3	73%	0.732	25%	0.254	S	S	*	.			trans	74	7.9	-171.8	0	0	0	0	0	113.7	C521	C521-G525 PolarHBondContact O-N 2.53Å; C521-G525 VanDerWaalsContact O-N 3.08Å
526	V	90.6	Very high	93.7	Very high	17 Å²	17	47.4 Å²	47.4	10%	0.103	24%	0.236	C	C	.	.			trans	-93.2	139.4	-179.2	-178.9	0	0	0	0	109.9	D481 L485 S524 R528 T530 V531	D481-V526 HydrophobicContact CB-CG2 4.26Å; L485-V526 HydrophobicContact CD1-CB 4.01Å; L485-V526 HydrophobicContact CD1-CG1 3.98Å; L485-V526 HydrophobicContact CD1-CG2 4.12Å; S524-V526 PolarHBondContact O-N 2.74Å; S524-V526 PolarHBondContact OG-N 2.97Å; V526-R528 PolarHBondContact O-N 2.82Å; V526-T530 HydrophobicContact CG1-CG2 3.73Å; V526-V531 HydrophobicContact CB-CG2 3.86Å; V526-V531 HydrophobicContact CG1-CG2 3.91Å
527	E	91.7	Very high	93.8	Very high	132 Å²	132	47.1 Å²	47.1	62%	0.617	23%	0.234	S	C	*	.			trans	-56	134.8	178.4	-168.6	-163.3	152.2	0	0	111.4	K529 T530 V531	E527-K529 PolarHBondContact O-N 3.48Å; E527-K529 VanDerWaalsContact O-N 3.11Å; E527-T530 WeakPolarHBondContact O-CA 3.11Å; E527-T530 WeakPolarHBondContact O-CB 3.29Å; E527-T530 PolarHBondContact O-N 3.48Å; E527-V531 PolarHBondContact O-N 3.35Å
528	R	92.8	Very high	93.9	Very high	111 Å²	111	47 Å²	47	42%	0.419	23%	0.233	S	C	.	.	H	α-helix	trans	-48.8	-42.5	-178.4	-178.9	171.1	178.2	147	-3	113.5	V526 T530 V531 L532	V526-R528 PolarHBondContact O-N 2.82Å; R528-T530 VanDerWaalsContact C-N 3.3Å; R528-T530 PolarHBondContact O-N 3.32Å; R528-V531 PolarHBondContact O-N 2.92Å; R528-L532 HydrophobicContact CG-CD1 4.16Å; R528-L532 HydrophobicContact CG-CG 4.42Å; R528-L532 VanDerWaalsContact O-CG 3.3Å; R528-L532 WeakPolarHBondContact O-CG 3.36Å; R528-L532 PolarHBondContact O-N 3.09Å
529	K	92.1	Very high	93.9	Very high	132 Å²	132	44 Å²	44	57%	0.574	22%	0.219	S	C	*	.	H	α-helix	trans	-58.1	-44.5	178	-178.5	178.3	177.3	-177.9	0	111.5	E527 H533	E527-K529 PolarHBondContact O-N 3.48Å; E527-K529 VanDerWaalsContact O-N 3.11Å; K529-H533 PolarHBondContact O-N 3.12Å; K529-H533 PolarHBondContact O-ND1 3.35Å
530	T	92.8	Very high	93.8	Very high	22 Å²	22	41.5 Å²	41.5	14%	0.135	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-42.9	178.8	-56.5	0	0	0	0	111.1	F474 I477 V526 E527 R528 L532 H533 L534	F474-T530 HydrophobicContact CD1-CG2 3.77Å; F474-T530 HydrophobicContact CE1-CG2 3.78Å; I477-T530 HydrophobicContact CD1-CG2 3.19Å; V526-T530 HydrophobicContact CG1-CG2 3.73Å; E527-T530 WeakPolarHBondContact O-CA 3.11Å; E527-T530 WeakPolarHBondContact O-CB 3.29Å; E527-T530 PolarHBondContact O-N 3.48Å; R528-T530 VanDerWaalsContact C-N 3.3Å; R528-T530 PolarHBondContact O-N 3.32Å; T530-L532 VanDerWaalsContact C-N 3.31Å; T530-L532 PolarHBondContact O-N 2.87Å; T530-H533 PolarHBondContact O-N 3.5Å; T530-H533 VanDerWaalsContact O-N 3.11Å; T530-L534 HydrophobicContact CG2-CD1 3.85Å; T530-L534 HydrophobicContact CG2-CG 4.33Å; T530-L534 PolarHBondContact O-N 2.89Å
531	V	94.3	Very high	93.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-54.5	-48.9	176.4	175	0	0	0	0	111.3	L485 V520 C521 V526 E527 R528 H533 L534 I535	L485-V531 HydrophobicContact CD1-CB 4.12Å; L485-V531 HydrophobicContact CD1-CG1 4.3Å; L485-V531 HydrophobicContact CD1-CG2 3.62Å; L485-V531 HydrophobicContact CG-CG1 4.47Å; L485-V531 HydrophobicContact CG-CG2 4.36Å; V520-V531 HydrophobicContact CG1-CG1 3.96Å; C521-V531 HydrophobicContact CB-CG2 4.46Å; V526-V531 HydrophobicContact CB-CG2 3.86Å; V526-V531 HydrophobicContact CG1-CG2 3.91Å; E527-V531 PolarHBondContact O-N 3.35Å; R528-V531 PolarHBondContact O-N 2.92Å; V531-H533 VanDerWaalsContact C-N 3.33Å; V531-H533 PolarHBondContact O-N 2.92Å; V531-L534 PolarHBondContact O-N 2.53Å; V531-I535 HydrophobicContact CG1-CD1 3.58Å; V531-I535 HydrophobicContact CG1-CG1 4.42Å; V531-I535 VanDerWaalsContact O-CG1 3.32Å; V531-I535 WeakPolarHBondContact O-CG1 3.47Å; V531-I535 PolarHBondContact O-N 2.9Å
532	L	95.2	Very high	93.4	Very high	42 Å²	42	45.4 Å²	45.4	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-35.8	179.6	-63.6	175.9	0	0	0	112.6	L517 R528 T530 R536 V548	L517-L532 HydrophobicContact CD1-CD2 4.16Å; R528-L532 HydrophobicContact CG-CD1 4.16Å; R528-L532 HydrophobicContact CG-CG 4.42Å; R528-L532 VanDerWaalsContact O-CG 3.3Å; R528-L532 WeakPolarHBondContact O-CG 3.36Å; R528-L532 PolarHBondContact O-N 3.09Å; T530-L532 VanDerWaalsContact C-N 3.31Å; T530-L532 PolarHBondContact O-N 2.87Å; L532-R536 VanDerWaalsContact O-CB 3.23Å; L532-R536 WeakPolarHBondContact O-CB 3.44Å; L532-R536 PolarHBondContact O-N 2.64Å; L532-V548 HydrophobicContact CB-CG2 4.04Å; L532-V548 HydrophobicContact CD2-CB 3.93Å; L532-V548 HydrophobicContact CD2-CG1 4.48Å; L532-V548 HydrophobicContact CD2-CG2 3.85Å; L532-V548 VanDerWaalsContact O-CG2 3.26Å; L532-V548 WeakPolarHBondContact O-CG2 3.29Å
533	H	94.5	Very high	92.9	Very high	47 Å²	47	41.3 Å²	41.3	22%	0.218	21%	0.207	C	C	.	.	H	α-helix	trans	-69	-45.3	175.6	-75.4	100.5	0	0	0	112.5	F474 K529 T530 V531 R536 L537 E543	F474-H533 HydrophobicContact CE1-CB 4.25Å; F474-H533 HydrophobicContact CZ-CB 3.73Å; K529-H533 PolarHBondContact O-N 3.12Å; K529-H533 PolarHBondContact O-ND1 3.35Å; T530-H533 PolarHBondContact O-N 3.5Å; T530-H533 VanDerWaalsContact O-N 3.11Å; V531-H533 VanDerWaalsContact C-N 3.33Å; V531-H533 PolarHBondContact O-N 2.92Å; H533-R536 PolarHBondContact CD2-NH1 3.34Å; H533-R536 PolarHBondContact O-N 3.38Å; H533-L537 WeakPolarHBondContact O-CB 3.35Å; H533-L537 PolarHBondContact O-N 3.28Å; H533-E543 PolarHBondContact CD2-O 3.36Å
534	L	95.4	Very high	92.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-41.2	-179.2	-74.2	170.2	0	0	0	111.7	I470 F474 I482 L485 F486 T530 V531 L537 G538	I470-L534 HydrophobicContact CD1-CD2 4.31Å; I470-L534 HydrophobicContact CG1-CD2 3.9Å; F474-L534 HydrophobicContact CD1-CD2 4.32Å; F474-L534 HydrophobicContact CD1-CG 4.42Å; F474-L534 HydrophobicContact CD2-CD2 3.89Å; F474-L534 HydrophobicContact CE1-CG 4.39Å; F474-L534 HydrophobicContact CE2-CD2 4.1Å; F474-L534 HydrophobicContact CG-CD2 4Å; F474-L534 HydrophobicContact CZ-CD2 4.41Å; I482-L534 HydrophobicContact CG1-CD1 4.14Å; I482-L534 HydrophobicContact CG2-CD1 4.28Å; I482-L534 HydrophobicContact CG2-CD2 4.48Å; L485-L534 HydrophobicContact CD1-CD1 3.9Å; F486-L534 HydrophobicContact CE1-CB 4.12Å; F486-L534 HydrophobicContact CZ-CB 4.26Å; T530-L534 HydrophobicContact CG2-CD1 3.85Å; T530-L534 HydrophobicContact CG2-CG 4.33Å; T530-L534 PolarHBondContact O-N 2.89Å; V531-L534 PolarHBondContact O-N 2.53Å; L534-L537 PolarHBondContact O-N 3.43Å; L534-G538 PolarHBondContact O-N 3.5Å
535	I	96.7	Very high	92.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-48.3	173.9	-64.3	166.2	0	0	0	109.8	L485 F489 L517 V531 L537 G538 L539 V548 I564	L485-I535 HydrophobicContact CD2-CG1 4.38Å; F489-I535 HydrophobicContact CD2-CD1 3.45Å; F489-I535 VanDerWaalsContact CD2-CD1 3.45Å; F489-I535 HydrophobicContact CD2-CG1 4.04Å; F489-I535 HydrophobicContact CD2-CG2 4.43Å; F489-I535 HydrophobicContact CE2-CD1 3.83Å; F489-I535 HydrophobicContact CE2-CG1 4.35Å; F489-I535 HydrophobicContact CE2-CG2 3.91Å; F489-I535 HydrophobicContact CG-CD1 4.22Å; F489-I535 HydrophobicContact CG-CG1 4.42Å; F489-I535 HydrophobicContact CZ-CG2 4.06Å; L517-I535 HydrophobicContact CD2-CD1 3.7Å; V531-I535 HydrophobicContact CG1-CD1 3.58Å; V531-I535 HydrophobicContact CG1-CG1 4.42Å; V531-I535 VanDerWaalsContact O-CG1 3.32Å; V531-I535 WeakPolarHBondContact O-CG1 3.47Å; V531-I535 PolarHBondContact O-N 2.9Å; I535-L537 VanDerWaalsContact C-N 3.28Å; I535-L537 PolarHBondContact O-N 2.77Å; I535-G538 PolarHBondContact O-N 2.8Å; I535-G538 VanDerWaalsContact O-N 3.1Å; I535-L539 HydrophobicContact CG2-CD1 3.82Å; I535-L539 HydrophobicContact CG2-CG 4.07Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.39Å; I535-L539 PolarHBondContact O-N 2.97Å; I535-V548 HydrophobicContact CB-CG1 4.22Å; I535-V548 HydrophobicContact CG2-CG1 3.55Å; I535-I564 HydrophobicContact CG2-CD1 4.48Å
536	R	95.6	Very high	92	Very high	30 Å²	30	41.3 Å²	41.3	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-55.4	-45.3	177.7	-175.5	-175.9	-57.3	107.7	6.4	111.9	L532 H533 G538 L539 T540 F542 E543 P546 V548 L551	L532-R536 VanDerWaalsContact O-CB 3.23Å; L532-R536 WeakPolarHBondContact O-CB 3.44Å; L532-R536 PolarHBondContact O-N 2.64Å; H533-R536 PolarHBondContact CD2-NH1 3.34Å; H533-R536 PolarHBondContact O-N 3.38Å; R536-G538 PolarHBondContact O-N 3.17Å; R536-L539 PolarHBondContact O-N 3.39Å; R536-T540 HydrophobicContact CG-CG2 4.47Å; R536-T540 PolarHBondContact O-N 3.34Å; R536-T540 PolarHBondContact O-OG1 3.01Å; R536-F542 WeakPolarHBondContact CG-O 3.3Å; R536-E543 WeakPolarHBondContact CD-O 3.49Å; R536-E543 PolarHBondContact NH1-O 3.37Å; R536-P546 PolarHBondContact NE-O 3.24Å; R536-V548 HydrophobicContact CB-CG2 4.21Å; R536-L551 HydrophobicContact CB-CD1 4.35Å; R536-L551 HydrophobicContact CG-CD1 3.82Å
537	L	95.2	Very high	92	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-47.5	177	179.7	64.8	0	0	0	110.9	C466 V469 I470 H533 L534 I535 L539 G541	C466-L537 HydrophobicContact CB-CG 4.26Å; C466-L537 PolarHBondContact SG-O 3.12Å; V469-L537 HydrophobicContact CB-CD1 4.09Å; V469-L537 HydrophobicContact CB-CD2 3.9Å; V469-L537 HydrophobicContact CG1-CD1 4.02Å; V469-L537 HydrophobicContact CG1-CD2 3.72Å; V469-L537 HydrophobicContact CG2-CD1 4.32Å; I470-L537 HydrophobicContact CD1-CD2 4.27Å; I470-L537 HydrophobicContact CG1-CD2 3.65Å; H533-L537 WeakPolarHBondContact O-CB 3.35Å; H533-L537 PolarHBondContact O-N 3.28Å; L534-L537 PolarHBondContact O-N 3.43Å; I535-L537 VanDerWaalsContact C-N 3.28Å; I535-L537 PolarHBondContact O-N 2.77Å; L537-L539 VanDerWaalsContact C-N 3.27Å; L537-L539 PolarHBondContact O-N 2.91Å; L537-G541 WeakPolarHBondContact CD1-O 3.29Å; L537-G541 VanDerWaalsContact O-CA 3.25Å; L537-G541 WeakPolarHBondContact O-CA 3.15Å; L537-G541 PolarHBondContact O-N 2.75Å
538	G	95.5	Very high	92.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-68.1	-22.6	177.9	0	0	0	0	0	114.8	P461 L534 I535 R536	P461-G538 VanDerWaalsContact CG-O 3.25Å; P461-G538 WeakPolarHBondContact CG-O 3.44Å; L534-G538 PolarHBondContact O-N 3.5Å; I535-G538 PolarHBondContact O-N 2.8Å; I535-G538 VanDerWaalsContact O-N 3.1Å; R536-G538 PolarHBondContact O-N 3.17Å
539	L	94.9	Very high	92.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-88.4	-36	176.4	-64.1	-174.6	0	0	0	113.3	I535 R536 L537 L551 I552 L555 V560 R563 I564	I535-L539 HydrophobicContact CG2-CD1 3.82Å; I535-L539 HydrophobicContact CG2-CG 4.07Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.39Å; I535-L539 PolarHBondContact O-N 2.97Å; R536-L539 PolarHBondContact O-N 3.39Å; L537-L539 VanDerWaalsContact C-N 3.27Å; L537-L539 PolarHBondContact O-N 2.91Å; L539-L551 HydrophobicContact CD1-CB 3.99Å; L539-I552 HydrophobicContact CD1-CG1 4.38Å; L539-L555 HydrophobicContact CB-CD1 4.13Å; L539-L555 HydrophobicContact CD2-CD1 4.41Å; L539-V560 HydrophobicContact CD1-CB 4.42Å; L539-V560 HydrophobicContact CD1-CG1 3.96Å; L539-V560 HydrophobicContact CD2-CB 3.61Å; L539-V560 HydrophobicContact CD2-CG1 3.72Å; L539-V560 HydrophobicContact CG-CG1 4.48Å; L539-R563 HydrophobicContact CD2-CB 4.18Å; L539-R563 PolarHBondContact O-NH1 3.35Å; L539-I564 HydrophobicContact CD2-CD1 3.97Å; L539-I564 HydrophobicContact CD2-CG1 3.86Å; L539-I564 HydrophobicContact CG-CD1 4.26Å
540	T	93.2	Very high	92	Very high	10 Å²	10	30.1 Å²	30.1	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-120.4	-21.5	-168.1	65.4	0	0	0	0	114.3	F456 R536 F542 L551	F456-T540 HydrophobicContact CB-CG2 3.99Å; F456-T540 HydrophobicContact CD1-CG2 4.17Å; F456-T540 HydrophobicContact CD2-CG2 4.02Å; F456-T540 HydrophobicContact CG-CG2 3.8Å; R536-T540 HydrophobicContact CG-CG2 4.47Å; R536-T540 PolarHBondContact O-N 3.34Å; R536-T540 PolarHBondContact O-OG1 3.01Å; T540-F542 VanDerWaalsContact C-N 3.26Å; T540-F542 VanDerWaalsContact O-CD2 3.26Å; T540-F542 WeakPolarHBondContact O-CD2 3.36Å; T540-F542 PolarHBondContact OG1-N 3.03Å; T540-F542 VanDerWaalsContact OG1-N 3.17Å; T540-F542 PolarHBondContact OG1-O 2.84Å; T540-L551 HydrophobicContact CG2-CD1 3.7Å; T540-L551 HydrophobicContact CG2-CD2 3.76Å; T540-L551 HydrophobicContact CG2-CG 4.37Å
541	G	91.6	Very high	92	Very high	13 Å²	13	29.1 Å²	29.1	13%	0.134	17%	0.169	C	C	.	.	S	Bend	trans	84.4	-2.5	-170.7	0	0	0	0	0	113.7	L537	L537-G541 WeakPolarHBondContact CD1-O 3.29Å; L537-G541 VanDerWaalsContact O-CA 3.25Å; L537-G541 WeakPolarHBondContact O-CA 3.15Å; L537-G541 PolarHBondContact O-N 2.75Å
542	F	88.5	Confident	91.9	Very high	81 Å²	81	29.1 Å²	29.1	36%	0.355	17%	0.169	S	C	.	.			trans	-120.7	146.3	-176.6	-64.1	-84.9	0	0	0	112.4	P450 R536 T540	P450-F542 HydrophobicContact CB-CE2 4.44Å; P450-F542 HydrophobicContact CB-CZ 3.99Å; P450-F542 WeakPolarHBondContact O-CE2 3.37Å; P450-F542 WeakPolarHBondContact O-CZ 3.37Å; R536-F542 WeakPolarHBondContact CG-O 3.3Å; T540-F542 VanDerWaalsContact C-N 3.26Å; T540-F542 VanDerWaalsContact O-CD2 3.26Å; T540-F542 WeakPolarHBondContact O-CD2 3.36Å; T540-F542 PolarHBondContact OG1-N 3.03Å; T540-F542 VanDerWaalsContact OG1-N 3.17Å; T540-F542 PolarHBondContact OG1-O 2.84Å
543	E	83.7	Confident	91.6	Very high	43 Å²	43	28.6 Å²	28.6	20%	0.201	17%	0.166	C	C	.	.	S	Bend	trans	-74.4	-29	177.1	-63	-175.1	-101.2	0	0	112.3	V469 R473 H533 R536	V469-E543 HydrophobicContact CG1-CG 3.69Å; R473-E543 WeakPolarHBondContact CD-OE2 3.24Å; R473-E543 WeakPolarHBondContact CG-OE2 3.22Å; R473-E543 IonicContact CZ-OE1 3.67Å; R473-E543 IonicContact CZ-OE2 3.2Å; R473-E543 IonicContact NE-OE1 3.65Å; R473-E543 IonicContact NE-OE2 3.28Å; R473-E543 PolarHBondContact NE-OE2 2.63Å; R473-E543 IonicContact NH1-OE1 3.85Å; R473-E543 IonicContact NH1-OE2 2.75Å; R473-E543 PolarHBondContact NH1-OE2 3.06Å; H533-E543 PolarHBondContact CD2-O 3.36Å; R536-E543 WeakPolarHBondContact CD-O 3.49Å; R536-E543 PolarHBondContact NH1-O 3.37Å
544	V	84	Confident	91.5	Very high	123 Å²	123	26.4 Å²	26.4	75%	0.745	16%	0.155	S	C	*	.	S	Bend	trans	-118.8	142.5	-176.6	-174.4	0	0	0	0	108.5
545	G	85.6	Confident	91.2	Very high	41 Å²	41	26.4 Å²	26.4	42%	0.423	16%	0.155	S	C	.	.	S	Bend	trans	163.3	-163.1	-177.2	0	0	0	0	0	110.5
546	P	87.5	Confident	90.6	Very high	22 Å²	22	27 Å²	27	14%	0.143	16%	0.159	C	C	.	.	S	Bend	trans	-57	160.5	179.6	-24	33.4	0	0	0	113.8	F456 R536 E550 L551	F456-P546 HydrophobicContact CZ-CG 4.38Å; R536-P546 PolarHBondContact NE-O 3.24Å; P546-E550 WeakPolarHBondContact CB-OE1 3.2Å; P546-L551 HydrophobicContact CB-CD2 3.94Å; P546-L551 HydrophobicContact CB-CG 4.2Å; P546-L551 HydrophobicContact CG-CD2 3.98Å
547	P	91.6	Very high	90.3	Very high	77 Å²	77	25.7 Å²	25.7	50%	0.5	16%	0.155	S	C	.	.			trans	-54.1	140.9	168.7	-23.3	34.2	0	0	0	111.4	V549 E550 L551	P547-V549 PolarHBondContact O-N 3.2Å; P547-E550 HydrophobicContact CB-CB 4.41Å; P547-E550 WeakPolarHBondContact CD-OE2 3.44Å; P547-E550 VanDerWaalsContact O-CB 3.32Å; P547-E550 WeakPolarHBondContact O-CB 3.15Å; P547-E550 PolarHBondContact O-N 3.23Å; P547-L551 PolarHBondContact O-N 3.45Å
548	V	93.5	Very high	90	Very high	4 Å²	4	29 Å²	29	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-34.1	-178	176.3	0	0	0	0	112.4	L517 L532 I535 R536 E550 L551 I552	L517-V548 HydrophobicContact CD1-CB 4.36Å; L517-V548 HydrophobicContact CD1-CG1 4.05Å; L517-V548 HydrophobicContact CD2-CG1 4.15Å; L532-V548 HydrophobicContact CB-CG2 4.04Å; L532-V548 HydrophobicContact CD2-CB 3.93Å; L532-V548 HydrophobicContact CD2-CG1 4.48Å; L532-V548 HydrophobicContact CD2-CG2 3.85Å; L532-V548 VanDerWaalsContact O-CG2 3.26Å; L532-V548 WeakPolarHBondContact O-CG2 3.29Å; I535-V548 HydrophobicContact CB-CG1 4.22Å; I535-V548 HydrophobicContact CG2-CG1 3.55Å; R536-V548 HydrophobicContact CB-CG2 4.21Å; V548-E550 VanDerWaalsContact C-N 3.3Å; V548-E550 PolarHBondContact O-N 3.44Å; V548-L551 PolarHBondContact O-N 3.26Å; V548-I552 HydrophobicContact CG1-CD1 3.94Å; V548-I552 HydrophobicContact CG1-CG1 4.42Å; V548-I552 WeakPolarHBondContact O-CG1 3.35Å; V548-I552 PolarHBondContact O-N 2.81Å
549	V	92.5	Very high	89.8	Confident	31 Å²	31	31.3 Å²	31.3	19%	0.188	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-46	174.9	176.9	0	0	0	0	111	I513 L517 P547 I552 Q553	I513-V549 HydrophobicContact CB-CG1 4.18Å; I513-V549 HydrophobicContact CD1-CG1 4.29Å; I513-V549 HydrophobicContact CG2-CB 4.31Å; I513-V549 HydrophobicContact CG2-CG1 4.14Å; I513-V549 HydrophobicContact CG2-CG2 4.13Å; L517-V549 HydrophobicContact CD1-CG2 3.84Å; P547-V549 PolarHBondContact O-N 3.2Å; V549-I552 PolarHBondContact O-N 3.07Å; V549-Q553 WeakPolarHBondContact O-CG 3.34Å; V549-Q553 PolarHBondContact O-N 3.12Å
550	E	90.7	Very high	89.8	Confident	45 Å²	45	31.3 Å²	31.3	21%	0.21	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-40	178.3	-167.6	-164.7	122.5	0	0	111.4	R440 P546 P547 V548 I552 Q553 L554	R440-E550 IonicContact CZ-OE1 2.62Å; R440-E550 IonicContact NH1-OE1 3.6Å; R440-E550 PolarHBondContact NH1-OE1 3.45Å; R440-E550 IonicContact NH1-OE2 3.65Å; R440-E550 IonicContact NH2-OE1 3.55Å; R440-E550 PolarHBondContact NH2-OE1 3.43Å; R440-E550 IonicContact NH2-OE2 2.79Å; P546-E550 WeakPolarHBondContact CB-OE1 3.2Å; P547-E550 HydrophobicContact CB-CB 4.41Å; P547-E550 WeakPolarHBondContact CD-OE2 3.44Å; P547-E550 VanDerWaalsContact O-CB 3.32Å; P547-E550 WeakPolarHBondContact O-CB 3.15Å; P547-E550 PolarHBondContact O-N 3.23Å; V548-E550 VanDerWaalsContact C-N 3.3Å; V548-E550 PolarHBondContact O-N 3.44Å; E550-I552 VanDerWaalsContact C-N 3.3Å; E550-I552 PolarHBondContact O-N 3.34Å; E550-Q553 PolarHBondContact O-N 3.33Å; E550-L554 HydrophobicContact CG-CD1 4.23Å; E550-L554 WeakPolarHBondContact O-CB 3.39Å; E550-L554 WeakPolarHBondContact O-CG 3.32Å; E550-L554 PolarHBondContact O-N 3.46Å
551	L	92.4	Very high	89.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-38.8	176.4	-65.1	175.6	0	0	0	112.4	F456 R536 L539 T540 P546 P547 V548 L554 L555	F456-L551 HydrophobicContact CD2-CD2 4.09Å; F456-L551 HydrophobicContact CE1-CD2 4.27Å; F456-L551 HydrophobicContact CE2-CD2 3.42Å; F456-L551 VanDerWaalsContact CE2-CD2 3.42Å; F456-L551 HydrophobicContact CZ-CD2 3.52Å; R536-L551 HydrophobicContact CB-CD1 4.35Å; R536-L551 HydrophobicContact CG-CD1 3.82Å; L539-L551 HydrophobicContact CD1-CB 3.99Å; T540-L551 HydrophobicContact CG2-CD1 3.7Å; T540-L551 HydrophobicContact CG2-CD2 3.76Å; T540-L551 HydrophobicContact CG2-CG 4.37Å; P546-L551 HydrophobicContact CB-CD2 3.94Å; P546-L551 HydrophobicContact CB-CG 4.2Å; P546-L551 HydrophobicContact CG-CD2 3.98Å; P547-L551 PolarHBondContact O-N 3.45Å; V548-L551 PolarHBondContact O-N 3.26Å; L551-L554 PolarHBondContact O-N 3.42Å; L551-L555 WeakPolarHBondContact O-CB 3.35Å; L551-L555 PolarHBondContact O-N 2.89Å
552	I	92.4	Very high	90	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-41	176.5	-67.3	165.1	0	0	0	110.7	F489 M493 I513 L517 L539 V548 V549 E550 S556 I557 V560	F489-I552 HydrophobicContact CE2-CD1 4.06Å; F489-I552 HydrophobicContact CZ-CD1 4.19Å; M493-I552 HydrophobicContact CE-CD1 4.49Å; M493-I552 HydrophobicContact SD-CD1 4.3Å; M493-I552 HydrophobicContact SD-CG2 4.39Å; I513-I552 HydrophobicContact CD1-CB 4.3Å; I513-I552 HydrophobicContact CD1-CG2 3.88Å; I513-I552 HydrophobicContact CG1-CG2 4.32Å; I513-I552 HydrophobicContact CG2-CB 4.27Å; I513-I552 HydrophobicContact CG2-CD1 3.52Å; I513-I552 HydrophobicContact CG2-CG1 4.49Å; I513-I552 HydrophobicContact CG2-CG2 4.28Å; L517-I552 HydrophobicContact CD1-CD1 4.43Å; L517-I552 HydrophobicContact CD2-CD1 4.41Å; L539-I552 HydrophobicContact CD1-CG1 4.38Å; V548-I552 HydrophobicContact CG1-CD1 3.94Å; V548-I552 HydrophobicContact CG1-CG1 4.42Å; V548-I552 WeakPolarHBondContact O-CG1 3.35Å; V548-I552 PolarHBondContact O-N 2.81Å; V549-I552 PolarHBondContact O-N 3.07Å; E550-I552 VanDerWaalsContact C-N 3.3Å; E550-I552 PolarHBondContact O-N 3.34Å; I552-S556 PolarHBondContact O-N 2.63Å; I552-I557 HydrophobicContact CG2-CG1 4.47Å; I552-V560 HydrophobicContact CG1-CG1 4.23Å; I552-V560 HydrophobicContact CG1-CG2 4.45Å; I552-V560 HydrophobicContact CG2-CG2 4.42Å
553	Q	89.5	Confident	90.4	Very high	32 Å²	32	31.2 Å²	31.2	15%	0.15	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-37.8	175.1	-67.9	174.3	-47	0	0	112.1	L436 L508 S510 I513 V549 E550	L436-Q553 HydrophobicContact CD1-CB 4.19Å; L508-Q553 PolarHBondContact O-NE2 2.97Å; S510-Q553 PolarHBondContact OG-NE2 3.47Å; I513-Q553 HydrophobicContact CD1-CG 3.68Å; V549-Q553 WeakPolarHBondContact O-CG 3.34Å; V549-Q553 PolarHBondContact O-N 3.12Å; E550-Q553 PolarHBondContact O-N 3.33Å
554	L	90.8	Very high	91.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-74.3	-30.6	-179.8	-76.8	171.6	0	0	0	114.4	R433 L436 L437 F456 M457 E550 L551	R433-L554 WeakPolarHBondContact CD-O 3.34Å; R433-L554 WeakPolarHBondContact CG-O 3.3Å; R433-L554 VanDerWaalsContact CZ-O 3.24Å; R433-L554 PolarHBondContact NE-O 3.43Å; R433-L554 PolarHBondContact NH2-O 2.91Å; R433-L554 WeakPolarHBondContact O-CD2 3.26Å; L436-L554 HydrophobicContact CB-CD2 3.8Å; L436-L554 HydrophobicContact CD1-CD2 4.2Å; L437-L554 HydrophobicContact CD2-CD1 3.94Å; L437-L554 HydrophobicContact CD2-CD2 3.65Å; L437-L554 HydrophobicContact CD2-CG 4.47Å; L437-L554 HydrophobicContact CG-CD2 4.23Å; F456-L554 HydrophobicContact CE2-CD1 4.18Å; F456-L554 HydrophobicContact CZ-CD1 4Å; M457-L554 HydrophobicContact CE-CD2 4.48Å; M457-L554 HydrophobicContact SD-CD2 4.21Å; E550-L554 HydrophobicContact CG-CD1 4.23Å; E550-L554 WeakPolarHBondContact O-CB 3.39Å; E550-L554 WeakPolarHBondContact O-CG 3.32Å; E550-L554 PolarHBondContact O-N 3.46Å; L551-L554 PolarHBondContact O-N 3.42Å
555	L	89.3	Confident	91.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-99.3	-19.9	-174.7	-70.8	176.6	0	0	0	114	F456 L539 L551 E559 V560	F456-L555 HydrophobicContact CD2-CD1 4.46Å; F456-L555 HydrophobicContact CD2-CD2 4.25Å; F456-L555 HydrophobicContact CD2-CG 4.46Å; L539-L555 HydrophobicContact CB-CD1 4.13Å; L539-L555 HydrophobicContact CD2-CD1 4.41Å; L551-L555 WeakPolarHBondContact O-CB 3.35Å; L551-L555 PolarHBondContact O-N 2.89Å; L555-E559 HydrophobicContact CB-CB 4.4Å; L555-E559 WeakPolarHBondContact O-CB 3.31Å; L555-V560 HydrophobicContact CB-CG1 3.63Å; L555-V560 HydrophobicContact CD1-CG1 4.04Å; L555-V560 HydrophobicContact CG-CG1 4.45Å
556	S	85.4	Confident	92.2	Very high	12 Å²	12	26.9 Å²	26.9	8%	0.084	15%	0.151	C	C	.	.			trans	81.7	148.7	-165.5	82.6	0	0	0	0	115.1	S505 I552 E559 V560	S505-S556 WeakPolarHBondContact OG-CA 3.27Å; S505-S556 WeakPolarHBondContact OG-CB 3.29Å; I552-S556 PolarHBondContact O-N 2.63Å; S556-E559 PolarHBondContact O-N 2.84Å; S556-E559 VanDerWaalsContact OG-CB 3.3Å; S556-E559 WeakPolarHBondContact OG-CB 3.36Å; S556-E559 PolarHBondContact OG-N 3.31Å; S556-V560 WeakPolarHBondContact O-CG1 3.36Å; S556-V560 WeakPolarHBondContact O-CG2 3.35Å; S556-V560 PolarHBondContact O-N 3.45Å
557	I	89.1	Confident	92.7	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.015	15%	0.145	C	C	.	.	H	α-helix	trans	-57.6	-48.4	174.6	-74.1	169.3	0	0	0	112.4	M493 I496 L497 L508 I552 E559 V560 T561	M493-I557 HydrophobicContact CB-CG2 4.17Å; M493-I557 WeakPolarHBondContact O-CG2 3.43Å; I496-I557 HydrophobicContact CB-CD1 3.88Å; I496-I557 HydrophobicContact CG2-CD1 3.37Å; L497-I557 HydrophobicContact CB-CG2 3.98Å; L497-I557 HydrophobicContact CD1-CG2 4.27Å; L497-I557 HydrophobicContact CG-CG2 4.49Å; L508-I557 HydrophobicContact CD1-CD1 3.35Å; L508-I557 HydrophobicContact CD1-CG1 3.51Å; L508-I557 HydrophobicContact CD2-CD1 3.63Å; L508-I557 HydrophobicContact CG-CD1 4.14Å; I552-I557 HydrophobicContact CG2-CG1 4.47Å; I557-E559 VanDerWaalsContact C-N 3.32Å; I557-E559 PolarHBondContact O-N 2.98Å; I557-V560 VanDerWaalsContact O-CG2 3.27Å; I557-V560 WeakPolarHBondContact O-CG2 3.43Å; I557-V560 PolarHBondContact O-N 3.32Å; I557-T561 VanDerWaalsContact O-CB 3.31Å; I557-T561 WeakPolarHBondContact O-CB 3.26Å; I557-T561 PolarHBondContact O-N 3.41Å; I557-T561 PolarHBondContact O-OG1 2.97Å
558	P	89	Confident	92.9	Very high	71 Å²	71	23.7 Å²	23.7	46%	0.461	13%	0.128	S	C	.	.	H	α-helix	trans	-58.1	-44.3	178.1	-27.1	36.3	0	0	0	112.6	L497 T561 D562	L497-P558 HydrophobicContact CD1-CG 4.39Å; P558-T561 PolarHBondContact O-N 3.29Å; P558-D562 WeakPolarHBondContact O-CB 3.4Å; P558-D562 PolarHBondContact O-N 3.15Å
559	E	91.2	Very high	93	Very high	50 Å²	50	26.2 Å²	26.2	23%	0.234	14%	0.141	C	C	.	.	H	α-helix	trans	-69.6	-43.4	-178.2	-163.3	176	159.1	0	0	112.4	R433 L555 S556 I557 T561 D562 R563	R433-E559 IonicContact NH1-OE2 3.98Å; R433-E559 PolarHBondContact NH1-OE2 3.05Å; L555-E559 HydrophobicContact CB-CB 4.4Å; L555-E559 WeakPolarHBondContact O-CB 3.31Å; S556-E559 PolarHBondContact O-N 2.84Å; S556-E559 VanDerWaalsContact OG-CB 3.3Å; S556-E559 WeakPolarHBondContact OG-CB 3.36Å; S556-E559 PolarHBondContact OG-N 3.31Å; I557-E559 VanDerWaalsContact C-N 3.32Å; I557-E559 PolarHBondContact O-N 2.98Å; E559-T561 VanDerWaalsContact C-N 3.29Å; E559-T561 PolarHBondContact O-N 3.45Å; E559-D562 PolarHBondContact O-N 2.97Å; E559-R563 WeakPolarHBondContact O-CB 3.44Å; E559-R563 WeakPolarHBondContact O-CG 3.5Å; E559-R563 PolarHBondContact O-N 2.91Å; E559-R563 IonicContact OE1-CZ 3.88Å; E559-R563 VanDerWaalsContact OE1-CZ 3.28Å; E559-R563 IonicContact OE1-NE 3.99Å; E559-R563 PolarHBondContact OE1-NE 3.32Å; E559-R563 IonicContact OE1-NH2 2.82Å; E559-R563 PolarHBondContact OE1-NH2 2.91Å
560	V	94.1	Very high	93.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-36.2	176.4	-61.5	0	0	0	0	112	F489 M493 L539 I552 L555 S556 I557 I564	F489-V560 HydrophobicContact CE1-CG2 4.43Å; F489-V560 HydrophobicContact CZ-CG2 4.29Å; M493-V560 HydrophobicContact CG-CG2 4.31Å; M493-V560 HydrophobicContact SD-CG2 4.29Å; L539-V560 HydrophobicContact CD1-CB 4.42Å; L539-V560 HydrophobicContact CD1-CG1 3.96Å; L539-V560 HydrophobicContact CD2-CB 3.61Å; L539-V560 HydrophobicContact CD2-CG1 3.72Å; L539-V560 HydrophobicContact CG-CG1 4.48Å; I552-V560 HydrophobicContact CG1-CG1 4.23Å; I552-V560 HydrophobicContact CG1-CG2 4.45Å; I552-V560 HydrophobicContact CG2-CG2 4.42Å; L555-V560 HydrophobicContact CB-CG1 3.63Å; L555-V560 HydrophobicContact CD1-CG1 4.04Å; L555-V560 HydrophobicContact CG-CG1 4.45Å; S556-V560 WeakPolarHBondContact O-CG1 3.36Å; S556-V560 WeakPolarHBondContact O-CG2 3.35Å; S556-V560 PolarHBondContact O-N 3.45Å; I557-V560 VanDerWaalsContact O-CG2 3.27Å; I557-V560 WeakPolarHBondContact O-CG2 3.43Å; I557-V560 PolarHBondContact O-N 3.32Å; V560-I564 WeakPolarHBondContact O-CG1 3.46Å; V560-I564 PolarHBondContact O-N 3.48Å; V560-I564 VanDerWaalsContact O-N 3.08Å
561	T	94.6	Very high	93.3	Very high	14 Å²	14	25.4 Å²	25.4	9%	0.086	13%	0.134	C	C	.	.	H	α-helix	trans	-65.9	-45	177.7	-55	0	0	0	0	110.2	I490 M493 I557 P558 E559 N565	I490-T561 HydrophobicContact CG1-CG2 4.49Å; I490-T561 HydrophobicContact CG2-CG2 3.94Å; M493-T561 WeakPolarHBondContact CB-OG1 3.09Å; I557-T561 VanDerWaalsContact O-CB 3.31Å; I557-T561 WeakPolarHBondContact O-CB 3.26Å; I557-T561 PolarHBondContact O-N 3.41Å; I557-T561 PolarHBondContact O-OG1 2.97Å; P558-T561 PolarHBondContact O-N 3.29Å; E559-T561 VanDerWaalsContact C-N 3.29Å; E559-T561 PolarHBondContact O-N 3.45Å; T561-N565 WeakPolarHBondContact O-CB 3.34Å; T561-N565 PolarHBondContact O-N 3.41Å
562	D	95	Very high	93.3	Very high	83 Å²	83	28.4 Å²	28.4	44%	0.444	15%	0.15	S	C	.	.	H	α-helix	trans	-62.6	-47.2	177	-173.3	65.3	0	0	0	112	P558 E559 I564 N565 N566	P558-D562 WeakPolarHBondContact O-CB 3.4Å; P558-D562 PolarHBondContact O-N 3.15Å; E559-D562 PolarHBondContact O-N 2.97Å; D562-I564 PolarHBondContact O-N 3.05Å; D562-N565 PolarHBondContact O-N 3.19Å; D562-N566 WeakPolarHBondContact O-CB 3.43Å; D562-N566 PolarHBondContact O-N 2.95Å; D562-N566 PolarHBondContact O-ND2 3.29Å; D562-N566 VanDerWaalsContact O-ND2 3.11Å; D562-N566 PolarHBondContact OD2-ND2 3.23Å
563	R	96.4	Very high	93.2	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-47.9	178.5	-73.2	179	-175.7	-142	0.6	112.5	F456 K459 L539 E559 N566 L567	F456-R563 PolarHBondContact O-NH1 2.91Å; F456-R563 PolarHBondContact O-NH2 3.14Å; K459-R563 PolarHBondContact O-NH1 3.4Å; L539-R563 HydrophobicContact CD2-CB 4.18Å; L539-R563 PolarHBondContact O-NH1 3.35Å; E559-R563 WeakPolarHBondContact O-CB 3.44Å; E559-R563 WeakPolarHBondContact O-CG 3.5Å; E559-R563 PolarHBondContact O-N 2.91Å; E559-R563 IonicContact OE1-CZ 3.88Å; E559-R563 VanDerWaalsContact OE1-CZ 3.28Å; E559-R563 IonicContact OE1-NE 3.99Å; E559-R563 PolarHBondContact OE1-NE 3.32Å; E559-R563 IonicContact OE1-NH2 2.82Å; E559-R563 PolarHBondContact OE1-NH2 2.91Å; R563-N566 PolarHBondContact O-N 3.09Å; R563-L567 PolarHBondContact O-N 2.93Å; R563-L567 VanDerWaalsContact O-N 3.15Å
564	I	97.7	Very high	93	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.8	-39.1	178.4	-63.4	-58.2	0	0	0	111.4	F486 F489 I490 I535 L539 V560 D562 N566 L567 H568	F486-I564 HydrophobicContact CB-CG2 3.85Å; F486-I564 HydrophobicContact CD1-CG2 3.64Å; F486-I564 HydrophobicContact CE1-CD1 4.48Å; F486-I564 HydrophobicContact CE1-CG2 4.44Å; F486-I564 HydrophobicContact CG-CG2 3.92Å; F489-I564 HydrophobicContact CD1-CB 3.99Å; F489-I564 HydrophobicContact CD1-CG1 3.81Å; F489-I564 HydrophobicContact CD1-CG2 3.87Å; F489-I564 HydrophobicContact CE1-CB 4.14Å; F489-I564 HydrophobicContact CE1-CG1 3.6Å; F489-I564 HydrophobicContact CE1-CG2 4.5Å; F489-I564 HydrophobicContact CZ-CG1 4.48Å; I490-I564 HydrophobicContact CD1-CG2 4.25Å; I490-I564 HydrophobicContact CG1-CG2 4.1Å; I535-I564 HydrophobicContact CG2-CD1 4.48Å; L539-I564 HydrophobicContact CD2-CD1 3.97Å; L539-I564 HydrophobicContact CD2-CG1 3.86Å; L539-I564 HydrophobicContact CG-CD1 4.26Å; V560-I564 WeakPolarHBondContact O-CG1 3.46Å; V560-I564 PolarHBondContact O-N 3.48Å; V560-I564 VanDerWaalsContact O-N 3.08Å; D562-I564 PolarHBondContact O-N 3.05Å; I564-N566 VanDerWaalsContact C-N 3.32Å; I564-N566 PolarHBondContact O-N 2.74Å; I564-L567 PolarHBondContact O-N 2.78Å; I564-H568 VanDerWaalsContact O-CB 3.24Å; I564-H568 WeakPolarHBondContact O-CB 3.37Å; I564-H568 PolarHBondContact O-N 3.32Å
565	N	97.3	Very high	92.2	Very high	54 Å²	54	40.2 Å²	40.2	29%	0.289	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-39.7	175.2	-177.9	59.6	0	0	0	112.2	I490 T561 D562 H568 N569	I490-N565 HydrophobicContact CD1-CB 3.9Å; T561-N565 WeakPolarHBondContact O-CB 3.34Å; T561-N565 PolarHBondContact O-N 3.41Å; D562-N565 PolarHBondContact O-N 3.19Å; N565-H568 PolarHBondContact O-N 2.82Å; N565-N569 PolarHBondContact ND2-ND2 2.95Å; N565-N569 WeakPolarHBondContact O-CB 3.38Å; N565-N569 VanDerWaalsContact O-CG 3.27Å; N565-N569 PolarHBondContact O-N 2.71Å; N565-N569 PolarHBondContact O-ND2 3.46Å; N565-N569 PolarHBondContact OD1-ND2 2.96Å
566	N	96.7	Very high	91.1	Very high	61 Å²	61	43 Å²	43	33%	0.326	22%	0.224	S	C	.	.	H	α-helix	trans	-63.8	-45.1	176.5	-71.5	-31.1	0	0	0	111.8	L463 D562 R563 I564 N569 F570	L463-N566 HydrophobicContact CD1-CB 4.29Å; D562-N566 WeakPolarHBondContact O-CB 3.43Å; D562-N566 PolarHBondContact O-N 2.95Å; D562-N566 PolarHBondContact O-ND2 3.29Å; D562-N566 VanDerWaalsContact O-ND2 3.11Å; D562-N566 PolarHBondContact OD2-ND2 3.23Å; R563-N566 PolarHBondContact O-N 3.09Å; I564-N566 VanDerWaalsContact C-N 3.32Å; I564-N566 PolarHBondContact O-N 2.74Å; N566-N569 PolarHBondContact O-N 3.45Å; N566-F570 WeakPolarHBondContact O-CB 3.44Å; N566-F570 PolarHBondContact O-N 2.96Å
567	L	96.6	Very high	89.8	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-43.3	174.4	-179.7	58.8	0	0	0	112.1	L463 C466 I470 F486 R563 I564 N569 F570 L571	L463-L567 HydrophobicContact CD2-CB 4.06Å; L463-L567 HydrophobicContact CD2-CD1 4.29Å; C466-L567 HydrophobicContact CB-CD1 3.74Å; C466-L567 HydrophobicContact CB-CD2 4.19Å; I470-L567 HydrophobicContact CD1-CD2 4.25Å; F486-L567 HydrophobicContact CE2-CD2 4.06Å; F486-L567 HydrophobicContact CE2-CG 4.19Å; F486-L567 HydrophobicContact CZ-CD2 3.83Å; F486-L567 HydrophobicContact CZ-CG 4.45Å; R563-L567 PolarHBondContact O-N 2.93Å; R563-L567 VanDerWaalsContact O-N 3.15Å; I564-L567 PolarHBondContact O-N 2.78Å; L567-N569 PolarHBondContact O-N 2.86Å; L567-F570 PolarHBondContact O-N 3.42Å; L567-L571 HydrophobicContact CD1-CD1 4.34Å; L567-L571 HydrophobicContact CD1-CG 4.24Å; L567-L571 HydrophobicContact CG-CD1 4.29Å; L567-L571 WeakPolarHBondContact O-CG 3.47Å; L567-L571 PolarHBondContact O-N 3.33Å
568	H	96.3	Very high	88	Confident	31 Å²	31	51 Å²	51	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-56.5	-49.4	176.8	179.7	-133.8	0	0	0	111.4	L483 F486 I490 I564 N565 F570 L571 I572	L483-H568 VanDerWaalsContact CD2-CD2 3.47Å; L483-H568 WeakPolarHBondContact CD2-CD2 3.44Å; L483-H568 PolarHBondContact O-NE2 3.48Å; F486-H568 HydrophobicContact CB-CB 4.02Å; F486-H568 HydrophobicContact CD2-CB 4.33Å; I490-H568 HydrophobicContact CD1-CB 4.48Å; I564-H568 VanDerWaalsContact O-CB 3.24Å; I564-H568 WeakPolarHBondContact O-CB 3.37Å; I564-H568 PolarHBondContact O-N 3.32Å; N565-H568 PolarHBondContact O-N 2.82Å; H568-F570 PolarHBondContact O-N 2.79Å; H568-L571 PolarHBondContact O-N 3.25Å; H568-I572 WeakPolarHBondContact O-CG1 3.44Å; H568-I572 PolarHBondContact O-N 2.75Å
569	N	96	Very high	86.1	Confident	57 Å²	57	50.5 Å²	50.5	31%	0.305	27%	0.265	S	S	.	.	H	α-helix	trans	-67.1	-34.9	178.4	-70.9	-41	0	0	0	112.9	N565 N566 L567 I572 R573	N565-N569 PolarHBondContact ND2-ND2 2.95Å; N565-N569 WeakPolarHBondContact O-CB 3.38Å; N565-N569 VanDerWaalsContact O-CG 3.27Å; N565-N569 PolarHBondContact O-N 2.71Å; N565-N569 PolarHBondContact O-ND2 3.46Å; N565-N569 PolarHBondContact OD1-ND2 2.96Å; N566-N569 PolarHBondContact O-N 3.45Å; L567-N569 PolarHBondContact O-N 2.86Å; N569-I572 PolarHBondContact O-N 3.4Å; N569-R573 WeakPolarHBondContact O-CG 3.38Å; N569-R573 PolarHBondContact O-N 3.31Å
570	F	95.3	Very high	83.7	Confident	57 Å²	57	55 Å²	55	25%	0.25	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-46.9	176.8	-173.7	-96.9	0	0	0	111.6	L463 A464 E467 N566 L567 H568 I572 R573 N574	L463-F570 HydrophobicContact CB-CB 4.31Å; L463-F570 HydrophobicContact CB-CD1 3.9Å; L463-F570 HydrophobicContact CB-CD2 3.97Å; L463-F570 HydrophobicContact CB-CE1 4.15Å; L463-F570 HydrophobicContact CB-CE2 4.23Å; L463-F570 HydrophobicContact CB-CG 3.8Å; L463-F570 HydrophobicContact CB-CZ 4.32Å; L463-F570 HydrophobicContact CD1-CB 3.95Å; L463-F570 HydrophobicContact CD1-CD2 4.03Å; L463-F570 HydrophobicContact CD1-CG 4.09Å; A464-F570 HydrophobicContact CB-CZ 4.3Å; E467-F570 HydrophobicContact CB-CD1 4.41Å; E467-F570 HydrophobicContact CB-CE1 4.06Å; E467-F570 WeakPolarHBondContact OE2-CE1 3.35Å; N566-F570 WeakPolarHBondContact O-CB 3.44Å; N566-F570 PolarHBondContact O-N 2.96Å; L567-F570 PolarHBondContact O-N 3.42Å; H568-F570 PolarHBondContact O-N 2.79Å; F570-I572 PolarHBondContact O-N 3.2Å; F570-R573 PolarHBondContact O-N 3.41Å; F570-N574 VanDerWaalsContact CE1-ND2 3.27Å; F570-N574 WeakPolarHBondContact CE1-ND2 3.42Å; F570-N574 PolarHBondContact O-N 2.69Å
571	L	94.2	Very high	81.3	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-38.2	177.5	-66.5	172.9	0	0	0	112.8	E467 I470 L479 I482 L483 F486 L567 H568 R573 N574 C575	E467-L571 HydrophobicContact CB-CD2 3.89Å; E467-L571 HydrophobicContact CG-CD2 3.74Å; I470-L571 HydrophobicContact CD1-CD1 3.85Å; I470-L571 HydrophobicContact CD1-CD2 4.45Å; L479-L571 HydrophobicContact CD1-CD1 4.49Å; I482-L571 HydrophobicContact CG2-CD1 4.46Å; L483-L571 HydrophobicContact CD2-CB 3.93Å; F486-L571 HydrophobicContact CD2-CD1 4.35Å; F486-L571 HydrophobicContact CE2-CD1 3.76Å; L567-L571 HydrophobicContact CD1-CD1 4.34Å; L567-L571 HydrophobicContact CD1-CG 4.24Å; L567-L571 HydrophobicContact CG-CD1 4.29Å; L567-L571 WeakPolarHBondContact O-CG 3.47Å; L567-L571 PolarHBondContact O-N 3.33Å; H568-L571 PolarHBondContact O-N 3.25Å; L571-R573 VanDerWaalsContact C-N 3.35Å; L571-R573 PolarHBondContact O-N 3.37Å; L571-N574 PolarHBondContact O-N 2.76Å; L571-C575 PolarHBondContact O-N 3.17Å
572	I	92.9	Very high	78.9	Confident	64 Å²	64	67.1 Å²	67.1	33%	0.328	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-44.6	176.1	-69.6	168.3	0	0	0	110.9	L483 H568 N569 F570 C575 S576	L483-I572 HydrophobicContact CD1-CG1 4.05Å; L483-I572 HydrophobicContact CD2-CG1 3.82Å; H568-I572 WeakPolarHBondContact O-CG1 3.44Å; H568-I572 PolarHBondContact O-N 2.75Å; N569-I572 PolarHBondContact O-N 3.4Å; F570-I572 PolarHBondContact O-N 3.2Å; I572-C575 PolarHBondContact O-N 3.5Å; I572-S576 PolarHBondContact O-N 3.49Å; I572-S576 PolarHBondContact O-OG 3.11Å
573	R	90.2	Very high	75.9	Confident	178 Å²	178	72.3 Å²	72.3	67%	0.672	38%	0.384	S	S	*	.	H	α-helix	trans	-63.1	-44.2	-178.8	-72.4	175.6	-170.1	-175.7	4.7	111.6	N569 F570 L571 S576 S577	N569-R573 WeakPolarHBondContact O-CG 3.38Å; N569-R573 PolarHBondContact O-N 3.31Å; F570-R573 PolarHBondContact O-N 3.41Å; L571-R573 VanDerWaalsContact C-N 3.35Å; L571-R573 PolarHBondContact O-N 3.37Å; R573-S576 WeakPolarHBondContact O-CB 3.44Å; R573-S576 PolarHBondContact O-N 2.97Å; R573-S577 PolarHBondContact O-N 3.06Å; R573-S577 PolarHBondContact O-OG 3.28Å
574	N	84.3	Confident	74.9	Confident	43 Å²	43	75.7 Å²	75.7	23%	0.23	40%	0.402	C	S	.	.	H	α-helix	trans	-72.1	-28.3	-179.4	-69.8	-9.8	0	0	0	113.2	E467 F570 L571 S576 S577 Q578	E467-N574 VanDerWaalsContact OE1-CB 3.27Å; E467-N574 WeakPolarHBondContact OE1-CB 3.43Å; E467-N574 PolarHBondContact OE1-ND2 3.48Å; E467-N574 PolarHBondContact OE2-ND2 3.4Å; F570-N574 VanDerWaalsContact CE1-ND2 3.27Å; F570-N574 WeakPolarHBondContact CE1-ND2 3.42Å; F570-N574 PolarHBondContact O-N 2.69Å; L571-N574 PolarHBondContact O-N 2.76Å; N574-S576 VanDerWaalsContact C-N 3.34Å; N574-S577 WeakPolarHBondContact CA-OG 3.46Å; N574-S577 PolarHBondContact O-OG 2.89Å; N574-Q578 WeakPolarHBondContact O-CG 3.4Å; N574-Q578 PolarHBondContact O-N 2.89Å
575	C	75.2	Confident	73.7	Confident	58 Å²	58	79.6 Å²	79.6	39%	0.392	42%	0.423	S	S	.	.	H	α-helix	trans	-65.2	-40.9	170.6	-171	0	0	0	0	111.4	L479 L571 I572 Q578 S579	L479-C575 HydrophobicContact CD2-CB 3.96Å; L571-C575 PolarHBondContact O-N 3.17Å; I572-C575 PolarHBondContact O-N 3.5Å; C575-Q578 PolarHBondContact O-N 3.32Å; C575-S579 PolarHBondContact O-N 3.2Å; C575-S579 VanDerWaalsContact O-N 3.14Å; C575-S579 PolarHBondContact O-OG 3.44Å; C575-S579 VanDerWaalsContact O-OG 3.11Å
576	S	65.1	Low	72.4	Confident	60 Å²	60	81.1 Å²	81.1	42%	0.42	43%	0.431	S	S	.	.	H	α-helix	trans	-66.9	-36.7	-178	-50.7	0	0	0	0	112.1	I572 R573 N574 S579 H580	I572-S576 PolarHBondContact O-N 3.49Å; I572-S576 PolarHBondContact O-OG 3.11Å; R573-S576 WeakPolarHBondContact O-CB 3.44Å; R573-S576 PolarHBondContact O-N 2.97Å; N574-S576 VanDerWaalsContact C-N 3.34Å; S576-S579 WeakPolarHBondContact CA-OG 3.28Å; S576-S579 PolarHBondContact O-OG 3.46Å; S576-H580 PolarHBondContact O-CD2 3.46Å; S576-H580 PolarHBondContact O-N 3.05Å
577	S	58.1	Low	70.9	Confident	59 Å²	59	82.2 Å²	82.2	41%	0.413	44%	0.437	S	S	.	.	H	α-helix	trans	-71.7	-40.6	176.3	52.6	0	0	0	0	112.6	R573 N574 S579 H580 E581	R573-S577 PolarHBondContact O-N 3.06Å; R573-S577 PolarHBondContact O-OG 3.28Å; N574-S577 WeakPolarHBondContact CA-OG 3.46Å; N574-S577 PolarHBondContact O-OG 2.89Å; S577-S579 VanDerWaalsContact C-N 3.32Å; S577-S579 PolarHBondContact O-N 3.18Å; S577-H580 PolarHBondContact O-N 3.16Å; S577-E581 PolarHBondContact O-N 2.97Å; S577-E581 VanDerWaalsContact O-N 3.09Å
578	Q	52.8	Low	69.3	Low	123 Å²	123	87.3 Å²	87.3	58%	0.575	46%	0.464	S	S	*	.	H	α-helix	trans	-64.2	-36.2	176.3	-73.2	-178.3	10.4	0	0	112.4	N574 C575 H580 E581 A582	N574-Q578 WeakPolarHBondContact O-CG 3.4Å; N574-Q578 PolarHBondContact O-N 2.89Å; C575-Q578 PolarHBondContact O-N 3.32Å; Q578-H580 PolarHBondContact O-N 3.04Å; Q578-E581 PolarHBondContact O-N 3.34Å; Q578-A582 WeakPolarHBondContact O-CB 3.39Å; Q578-A582 PolarHBondContact O-N 3.26Å
579	S	48.3	Very low	67.5	Low	60 Å²	60	91.1 Å²	91.1	42%	0.42	49%	0.485	S	S	.	.	H	α-helix	trans	-65.6	-26.8	172.6	44.6	0	0	0	0	113.3	C575 S576 S577 L583	C575-S579 PolarHBondContact O-N 3.2Å; C575-S579 VanDerWaalsContact O-N 3.14Å; C575-S579 PolarHBondContact O-OG 3.44Å; C575-S579 VanDerWaalsContact O-OG 3.11Å; S576-S579 WeakPolarHBondContact CA-OG 3.28Å; S576-S579 PolarHBondContact O-OG 3.46Å; S577-S579 VanDerWaalsContact C-N 3.32Å; S577-S579 PolarHBondContact O-N 3.18Å; S579-L583 WeakPolarHBondContact O-CB 3.42Å; S579-L583 WeakPolarHBondContact O-CD1 3.23Å; S579-L583 WeakPolarHBondContact O-CG 2.83Å; S579-L583 PolarHBondContact O-N 3.27Å
580	H	41.4	Very low	65.5	Low	146 Å²	146	93.5 Å²	93.5	68%	0.676	50%	0.498	S	S	*	.	H	α-helix	trans	-83	-23.3	176.2	-90.5	-63.8	0	0	0	114.2	S576 S577 Q578	S576-H580 PolarHBondContact O-CD2 3.46Å; S576-H580 PolarHBondContact O-N 3.05Å; S577-H580 PolarHBondContact O-N 3.16Å; Q578-H580 PolarHBondContact O-N 3.04Å
581	E	43.6	Very low	63.2	Low	173 Å²	173	96.3 Å²	96.3	81%	0.808	52%	0.517	S	S	*	.	H	α-helix	trans	-86.3	-24.7	172.1	-76.4	-175.6	160.4	0	0	112.9	S577 Q578	S577-E581 PolarHBondContact O-N 2.97Å; S577-E581 VanDerWaalsContact O-N 3.09Å; Q578-E581 PolarHBondContact O-N 3.34Å
582	A	42.7	Very low	60.6	Low	94 Å²	94	104.2 Å²	104.2	78%	0.777	56%	0.56	S	S	*	*	H	α-helix	trans	-82.7	-19.7	175.6	0	0	0	0	0	113.6	Q578	Q578-A582 WeakPolarHBondContact O-CB 3.39Å; Q578-A582 PolarHBondContact O-N 3.26Å
583	L	33.1	Very low	57.7	Low	192 Å²	192	107.8 Å²	107.8	100%	1.005	58%	0.581	S	S	*	*			trans	-87	0	168.9	-80.8	167.2	0	0	0	109.9	S579	S579-L583 WeakPolarHBondContact O-CB 3.42Å; S579-L583 WeakPolarHBondContact O-CD1 3.23Å; S579-L583 WeakPolarHBondContact O-CG 2.83Å; S579-L583 PolarHBondContact O-N 3.27Å

Retrieved 583 of 583 residues in 267.4 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).