A0A077ZIE8_TRITR Loading...

Heat shock protein 60

AlphaFold DB , UniProt , Accession A0A077ZIE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 583 aa.

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(Predicted Aligned Error values between residue pairs)

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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	41.6	Very low	39.4	Very low	243 Å²	243	162 Å²	162	100%	1.197	85%	0.846	S	S	*	*				0	100.8	0	-64.7	176.6	-173.9	0	0	105
2	L	42.1	Very low	39.2	Very low	182 Å²	182	156.4 Å²	156.4	95%	0.953	83%	0.831	S	S	*	*			cis	-117.9	143.7	36.5	-78.4	87.9	0	0	0	112.9
3	R	32.5	Very low	39.1	Very low	250 Å²	250	163.8 Å²	163.8	94%	0.943	84%	0.841	S	S	*	*			trans	-106.3	130.9	169.6	-90.5	-179.1	168.8	-175.9	-2.4	108.1
4	A	43.1	Very low	38.9	Very low	97 Å²	97	168.6 Å²	168.6	80%	0.802	84%	0.843	S	S	*	*			trans	172.6	138.1	148.7	0	0	0	0	0	106.5
5	S	43.1	Very low	39.1	Very low	91 Å²	91	165.9 Å²	165.9	64%	0.636	84%	0.839	S	S	*	*			cis	-175.7	145.8	-3.2	63.6	0	0	0	0	106.7
6	I	42.6	Very low	39.2	Very low	148 Å²	148	161.2 Å²	161.2	76%	0.759	83%	0.833	S	S	*	*			trans	73.1	92.1	143.5	-58.3	158.6	0	0	0	115.3
7	S	39.4	Very low	39.4	Very low	115 Å²	115	160.6 Å²	160.6	80%	0.804	83%	0.831	S	S	*	*				67.8	115	78.6	76.6	0	0	0	0	115.4
8	G	38.5	Very low	39.3	Very low	76 Å²	76	164.9 Å²	164.9	78%	0.784	84%	0.835	S	S	*	*			trans	160.7	57.1	173.6	0	0	0	0	0	110.6
9	F	35.9	Very low	39.5	Very low	182 Å²	182	162.5 Å²	162.5	80%	0.798	83%	0.829	S	S	*	*				61.5	95.1	98.5	-140.7	-93	0	0	0	114.7
10	Q	37.4	Very low	39.6	Very low	148 Å²	148	159 Å²	159	69%	0.692	83%	0.825	S	S	*	*			trans	36.5	111.6	140.4	-63.5	-179.8	-25.7	0	0	118.8
11	R	37.2	Very low	39.9	Very low	250 Å²	250	156.9 Å²	156.9	94%	0.943	82%	0.819	S	S	*	*				-176.5	133.6	117.9	-102.2	165.6	178.7	-174.8	0.2	113.1
12	S	37.6	Very low	39.9	Very low	95 Å²	95	154.7 Å²	154.7	66%	0.664	80%	0.798	S	S	*	*			trans	77	79.8	151.2	-164.1	0	0	0	0	119.4	R14	S12-R14 PolarHBondContact O-N 3.35Å
13	R	37	Very low	40.3	Very low	252 Å²	252	149.7 Å²	149.7	95%	0.951	78%	0.782	S	S	*	*			trans	-61.3	111	137.6	-84.5	178.2	164.6	-179.6	-4.7	108.6
14	R	37.3	Very low	41.5	Very low	231 Å²	231	146.9 Å²	146.9	87%	0.872	77%	0.773	S	S	*	*			trans	-129	104.4	156	-91.7	-172.2	173.3	-178.3	-1.2	108.7	S12 A16	S12-R14 PolarHBondContact O-N 3.35Å; R14-A16 PolarHBondContact O-N 3.41Å
15	T	40.7	Very low	42.9	Very low	128 Å²	128	143.3 Å²	143.3	79%	0.785	74%	0.743	S	S	*	*			trans	-57.4	108.8	169	-29.8	0	0	0	0	108.9	L17	T15-L17 HydrophobicContact CG2-CD1 4.4Å; T15-L17 PolarHBondContact O-N 3.24Å
16	A	41	Very low	44.8	Very low	91 Å²	91	142 Å²	142	75%	0.752	74%	0.738	S	S	*	*			trans	-88.2	92.8	163.7	0	0	0	0	0	107.3	R14 R18	R14-A16 PolarHBondContact O-N 3.41Å; A16-R18 VanDerWaalsContact C-N 3.32Å; A16-R18 PolarHBondContact O-N 3.49Å
17	L	42.3	Very low	47	Very low	152 Å²	152	140 Å²	140	80%	0.796	72%	0.724	S	S	*	*			trans	-57.9	102	157.7	-111.7	91.5	0	0	0	106.2	T15 V19	T15-L17 HydrophobicContact CG2-CD1 4.4Å; T15-L17 PolarHBondContact O-N 3.24Å; L17-V19 VanDerWaalsContact C-N 3.31Å; L17-V19 PolarHBondContact O-N 3.3Å
18	R	38.4	Very low	49.2	Very low	238 Å²	238	137.3 Å²	137.3	90%	0.898	70%	0.7	S	S	*	*			trans	-65.3	101.5	162.6	-84.9	-176.5	172.6	178.2	-1.8	106.1	A16 A20	A16-R18 VanDerWaalsContact C-N 3.32Å; A16-R18 PolarHBondContact O-N 3.49Å; R18-A20 PolarHBondContact O-N 3.08Å
19	V	42.4	Very low	51.7	Low	118 Å²	118	137.5 Å²	137.5	72%	0.715	68%	0.683	S	S	*	*			trans	-46.8	112.4	159.4	174.4	0	0	0	0	105.8	L17 V21	L17-V19 VanDerWaalsContact C-N 3.31Å; L17-V19 PolarHBondContact O-N 3.3Å; V19-V21 HydrophobicContact CG1-CG2 4.16Å; V19-V21 PolarHBondContact O-N 2.82Å
20	A	42.4	Very low	54.2	Low	92 Å²	92	132.2 Å²	132.2	76%	0.76	66%	0.658	S	S	*	*			trans	-64.6	81.2	165.5	0	0	0	0	0	106.4	R18 R22	R18-A20 PolarHBondContact O-N 3.08Å; A20-R22 VanDerWaalsContact C-N 3.31Å; A20-R22 PolarHBondContact O-N 3.43Å
21	V	44.9	Very low	56.7	Low	115 Å²	115	131.4 Å²	131.4	70%	0.697	65%	0.652	S	S	*	*			trans	-55.9	109.3	159.2	178.3	0	0	0	0	103.1	V19 A23	V19-V21 HydrophobicContact CG1-CG2 4.16Å; V19-V21 PolarHBondContact O-N 2.82Å; V21-A23 PolarHBondContact O-N 3.44Å
22	R	42.3	Very low	59	Low	198 Å²	198	119.9 Å²	119.9	75%	0.747	61%	0.611	S	S	*	*			trans	-55.4	91.3	163.4	-77.6	179.3	175.1	172.8	-1.6	104.8	A20 Y24	A20-R22 VanDerWaalsContact C-N 3.31Å; A20-R22 PolarHBondContact O-N 3.43Å; R22-Y24 HydrophobicContact CB-CD2 4.33Å; R22-Y24 HydrophobicContact CB-CE2 4Å; R22-Y24 WeakPolarHBondContact O-CD2 3.44Å; R22-Y24 PolarHBondContact O-N 3.07Å
23	A	49.7	Very low	61.4	Low	76 Å²	76	118.5 Å²	118.5	63%	0.628	61%	0.605	S	S	*	*			trans	-68.3	85.1	173	0	0	0	0	0	104.7	V21 A25	V21-A23 PolarHBondContact O-N 3.44Å; A23-A25 PolarHBondContact O-N 3.44Å
24	Y	59.2	Low	63.8	Low	192 Å²	192	111.8 Å²	111.8	75%	0.753	59%	0.585	S	S	*	*			trans	-55.4	102.5	161.2	-70.2	-80.8	0	0	0	104.5	R22 A26	R22-Y24 HydrophobicContact CB-CD2 4.33Å; R22-Y24 HydrophobicContact CB-CE2 4Å; R22-Y24 WeakPolarHBondContact O-CD2 3.44Å; R22-Y24 PolarHBondContact O-N 3.07Å; Y24-A26 PolarHBondContact O-N 2.96Å
25	A	71.9	Confident	66.3	Low	21 Å²	21	100.9 Å²	100.9	17%	0.174	54%	0.544	C	S	.	.			trans	-56	132	177.8	0	0	0	0	0	107.1	A23 K27 E563	A23-A25 PolarHBondContact O-N 3.44Å; A25-K27 PolarHBondContact O-N 3.32Å; A25-E563 HydrophobicContact CB-CG 4.48Å
26	A	82.5	Confident	68.6	Low	63 Å²	63	96 Å²	96	52%	0.521	51%	0.511	S	S	.	.			trans	-52.1	142.4	172.8	0	0	0	0	0	108.5	Y24 L564	Y24-A26 PolarHBondContact O-N 2.96Å; A26-L564 HydrophobicContact CB-CB 4.15Å; A26-L564 HydrophobicContact CB-CD1 4.25Å; A26-L564 WeakPolarHBondContact O-CB 3.12Å; A26-L564 PolarHBondContact O-N 3.48Å
27	K	88.3	Confident	70.9	Confident	106 Å²	106	94.3 Å²	94.3	46%	0.461	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.8	178.6	-57.6	-62.6	-175.6	172.9	0	108.3	A25 I561 T562 E563	A25-K27 PolarHBondContact O-N 3.32Å; K27-I561 HydrophobicContact CB-CG2 3.74Å; K27-I561 HydrophobicContact CD-CG2 4.35Å; K27-I561 HydrophobicContact CG-CG2 4.1Å; K27-T562 CarbonylContact C-O 3.55Å; K27-T562 WeakPolarHBondContact CA-O 3.23Å; K27-E563 HydrophobicContact CD-CG 4Å; K27-E563 IonicContact NZ-OE1 3.85Å; K27-E563 PolarHBondContact NZ-OE1 2.96Å
28	D	87.3	Confident	73.2	Confident	59 Å²	59	88.2 Å²	88.2	32%	0.316	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	145.2	168.4	-165.2	7.1	0	0	0	108.4	W89 I561 T562 L564	D28-W89 HydrophobicContact CB-CH2 4.11Å; D28-W89 HydrophobicContact CB-CZ2 3.72Å; D28-W89 VanDerWaalsContact O-CH2 3.29Å; D28-W89 WeakPolarHBondContact O-CH2 3.27Å; D28-W89 WeakPolarHBondContact OD2-CZ2 3.39Å; D28-I561 WeakPolarHBondContact O-CA 3.21Å; D28-T562 PolarHBondContact N-O 2.75Å; D28-T562 PolarHBondContact O-N 3.27Å; D28-L564 HydrophobicContact CB-CD1 4.07Å; D28-L564 HydrophobicContact CB-CG 4.46Å
29	L	90.7	Very high	75.7	Confident	80 Å²	80	77 Å²	77	42%	0.419	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.8	-177.6	-67.6	92.6	0	0	0	109.7	F31 I561	L29-F31 HydrophobicContact CB-CE2 3.86Å; L29-F31 HydrophobicContact CB-CZ 4.12Å; L29-F31 HydrophobicContact CD2-CZ 4.03Å; L29-I561 HydrophobicContact CD2-CD1 4.17Å; L29-I561 HydrophobicContact CD2-CG1 3.98Å; L29-I561 HydrophobicContact CG-CG1 4.1Å; L29-I561 HydrophobicContact CG-CG2 4.45Å
30	R	87.7	Confident	78.1	Confident	72 Å²	72	72.7 Å²	72.7	27%	0.272	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.1	170.1	-69.4	-167.9	-174.1	-167.8	10.6	110.6	E34 A35 W89 C559 V560	R30-E34 IonicContact CZ-OE1 2.71Å; R30-E34 IonicContact NE-OE1 2.65Å; R30-E34 IonicContact NH1-OE1 3.39Å; R30-E34 PolarHBondContact NH1-OE1 2.79Å; R30-A35 HydrophobicContact CB-CB 3.94Å; R30-W89 HydrophobicContact CB-CH2 4.13Å; R30-W89 HydrophobicContact CB-CZ2 4.48Å; R30-W89 HydrophobicContact CB-CZ3 4.21Å; R30-W89 HydrophobicContact CG-CH2 3.87Å; R30-W89 HydrophobicContact CG-CZ2 3.76Å; R30-W89 HydrophobicContact CG-CZ3 4.34Å; R30-C559 WeakPolarHBondContact O-CA 3.38Å; R30-V560 PolarHBondContact N-O 3.08Å; R30-V560 VanDerWaalsContact N-O 3.13Å; R30-V560 PolarHBondContact O-N 3.17Å
31	F	90.1	Very high	80.5	Confident	131 Å²	131	71.2 Å²	71.2	58%	0.575	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.6	-173.6	-61.7	-89.2	0	0	0	111.7	L29 E558 C559	L29-F31 HydrophobicContact CB-CE2 3.86Å; L29-F31 HydrophobicContact CB-CZ 4.12Å; L29-F31 HydrophobicContact CD2-CZ 4.03Å; F31-E558 CarbonylContact C-O 3.24Å; F31-E558 WeakPolarHBondContact CA-O 3.43Å; F31-C559 HydrophobicContact CD1-CB 3.79Å; F31-C559 HydrophobicContact CE1-CB 3.83Å; F31-C559 WeakPolarHBondContact CE1-SG 3.28Å
32	G	86.2	Confident	82.8	Confident	8 Å²	8	65.8 Å²	65.8	8%	0.082	35%	0.346	C	S	.	.	H	α-helix	trans	61	-136.8	168.5	0	0	0	0	0	115.3	E34 A35 R36 E558	G32-E34 VanDerWaalsContact C-N 3.33Å; G32-E34 PolarHBondContact O-N 3.34Å; G32-A35 PolarHBondContact O-N 2.96Å; G32-R36 PolarHBondContact O-N 3.29Å; G32-E558 WeakPolarHBondContact CA-OE1 3.47Å; G32-E558 PolarHBondContact N-O 3.43Å
33	A	87	Confident	85.3	Confident	65 Å²	65	56.3 Å²	56.3	54%	0.537	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-32.9	-170.1	0	0	0	0	0	113.7	R36 A37	A33-R36 PolarHBondContact O-N 3.42Å; A33-A37 WeakPolarHBondContact O-CB 3.31Å; A33-A37 PolarHBondContact O-N 3.34Å
34	E	88.2	Confident	87.4	Confident	112 Å²	112	54.4 Å²	54.4	52%	0.523	29%	0.29	S	S	.	.	H	α-helix	trans	-66.8	-42.4	179.6	-167.3	-167.6	153	0	0	111.6	R30 G32 A37 S38	R30-E34 IonicContact CZ-OE1 2.71Å; R30-E34 IonicContact NE-OE1 2.65Å; R30-E34 IonicContact NH1-OE1 3.39Å; R30-E34 PolarHBondContact NH1-OE1 2.79Å; G32-E34 VanDerWaalsContact C-N 3.33Å; G32-E34 PolarHBondContact O-N 3.34Å; E34-A37 PolarHBondContact O-N 2.92Å; E34-S38 PolarHBondContact O-N 3.04Å; E34-S38 VanDerWaalsContact O-N 3.08Å; E34-S38 PolarHBondContact O-OG 2.74Å
35	A	89	Confident	89.1	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-63.5	-44.4	175	0	0	0	0	0	110.9	R30 G32 S38 M39 V560	R30-A35 HydrophobicContact CB-CB 3.94Å; G32-A35 PolarHBondContact O-N 2.96Å; A35-S38 PolarHBondContact O-N 3.45Å; A35-M39 WeakPolarHBondContact O-CG 3.42Å; A35-M39 PolarHBondContact O-N 3.36Å; A35-V560 HydrophobicContact CB-CB 4.42Å; A35-V560 HydrophobicContact CB-CG2 3.93Å
36	R	88.5	Confident	90.1	Very high	26 Å²	26	48.3 Å²	48.3	10%	0.098	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-45.2	176.8	-71.8	-170	-77.3	-98.7	3.4	112.9	G32 A33 S38 M39 L40 F127 A557 E558	G32-R36 PolarHBondContact O-N 3.29Å; A33-R36 PolarHBondContact O-N 3.42Å; R36-S38 VanDerWaalsContact C-N 3.33Å; R36-S38 PolarHBondContact O-N 3.19Å; R36-M39 HydrophobicContact CG-CE 4.3Å; R36-M39 PolarHBondContact O-N 3.33Å; R36-L40 WeakPolarHBondContact O-CB 3.31Å; R36-L40 PolarHBondContact O-N 3.34Å; R36-F127 HydrophobicContact CB-CD1 4.09Å; R36-F127 HydrophobicContact CB-CE1 3.92Å; R36-F127 HydrophobicContact CB-CG 4.45Å; R36-F127 HydrophobicContact CB-CZ 4.15Å; R36-F127 VanDerWaalsContact CD-CD1 3.43Å; R36-F127 VanDerWaalsContact CD-CE1 3.5Å; R36-F127 HydrophobicContact CG-CD1 3.96Å; R36-F127 HydrophobicContact CG-CE1 3.59Å; R36-F127 HydrophobicContact CG-CZ 4.17Å; R36-A557 PolarHBondContact NH1-O 2.95Å; R36-E558 IonicContact CZ-OE2 2.71Å; R36-E558 IonicContact NH1-OE2 3Å; R36-E558 PolarHBondContact NH1-OE2 3.18Å; R36-E558 IonicContact NH2-OE2 3.87Å
37	A	90.3	Very high	90.7	Very high	55 Å²	55	45.3 Å²	45.3	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-43	178.4	0	0	0	0	0	111.6	A33 E34 L40 T41	A33-A37 WeakPolarHBondContact O-CB 3.31Å; A33-A37 PolarHBondContact O-N 3.34Å; E34-A37 PolarHBondContact O-N 2.92Å; A37-L40 PolarHBondContact O-N 3.01Å; A37-T41 PolarHBondContact O-N 2.94Å; A37-T41 PolarHBondContact O-OG1 2.92Å; A37-T41 VanDerWaalsContact O-OG1 3.08Å
38	S	91.1	Very high	91	Very high	23 Å²	23	44.6 Å²	44.6	16%	0.161	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-42.3	177.5	-57.6	0	0	0	0	112.1	E34 A35 R36 T41 G42 Q90	E34-S38 PolarHBondContact O-N 3.04Å; E34-S38 VanDerWaalsContact O-N 3.08Å; E34-S38 PolarHBondContact O-OG 2.74Å; A35-S38 PolarHBondContact O-N 3.45Å; R36-S38 VanDerWaalsContact C-N 3.33Å; R36-S38 PolarHBondContact O-N 3.19Å; S38-T41 PolarHBondContact O-N 3.22Å; S38-G42 PolarHBondContact O-N 3.03Å; S38-Q90 WeakPolarHBondContact O-CG 3.48Å
39	M	90.9	Very high	91.4	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-42.3	174.2	-72	-173.1	-65.4	0	0	111.8	A35 R36 T41 G42 V43 V92 F127 L554 A557 V560	A35-M39 WeakPolarHBondContact O-CG 3.42Å; A35-M39 PolarHBondContact O-N 3.36Å; R36-M39 HydrophobicContact CG-CE 4.3Å; R36-M39 PolarHBondContact O-N 3.33Å; M39-T41 VanDerWaalsContact C-N 3.31Å; M39-T41 PolarHBondContact O-N 3.4Å; M39-G42 WeakPolarHBondContact O-CA 3.32Å; M39-G42 PolarHBondContact O-N 2.84Å; M39-V43 WeakPolarHBondContact O-CG2 3.34Å; M39-V43 PolarHBondContact O-N 3.42Å; M39-V92 HydrophobicContact SD-CG1 4.41Å; M39-F127 HydrophobicContact CE-CZ 4.46Å; M39-L554 HydrophobicContact CB-CD1 4.36Å; M39-L554 HydrophobicContact CE-CD1 3.9Å; M39-L554 HydrophobicContact SD-CD1 3.61Å; M39-A557 HydrophobicContact CE-CB 4.01Å; M39-V560 HydrophobicContact CE-CG2 3.64Å; M39-V560 HydrophobicContact CG-CG2 4.4Å; M39-V560 HydrophobicContact SD-CG2 3.54Å; M39-V560 VanDerWaalsContact SD-CG2 3.54Å
40	L	91.8	Very high	91.6	Very high	26 Å²	26	39.7 Å²	39.7	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-39.7	178.8	-176.6	60.1	0	0	0	111.5	R36 A37 G42 V43 D44 R124 F127	R36-L40 WeakPolarHBondContact O-CB 3.31Å; R36-L40 PolarHBondContact O-N 3.34Å; A37-L40 PolarHBondContact O-N 3.01Å; L40-G42 VanDerWaalsContact C-N 3.28Å; L40-G42 PolarHBondContact O-N 2.9Å; L40-V43 WeakPolarHBondContact O-CB 3.47Å; L40-V43 PolarHBondContact O-N 3.11Å; L40-D44 WeakPolarHBondContact O-CB 3.09Å; L40-D44 PolarHBondContact O-N 3.05Å; L40-R124 HydrophobicContact CD1-CB 4.15Å; L40-R124 HydrophobicContact CD2-CG 4.48Å; L40-F127 HydrophobicContact CB-CD2 3.93Å; L40-F127 HydrophobicContact CB-CE2 3.9Å; L40-F127 HydrophobicContact CD1-CD2 3.97Å; L40-F127 HydrophobicContact CD1-CE2 4.23Å; L40-F127 HydrophobicContact CD2-CD2 4.1Å; L40-F127 HydrophobicContact CG-CD2 4.21Å
41	T	93.7	Very high	91.9	Very high	62 Å²	62	36.6 Å²	36.6	38%	0.38	21%	0.213	S	C	.	.	H	α-helix	trans	-58.2	-41.6	173.2	-54.6	0	0	0	0	111.7	A37 S38 M39 D44 L45	A37-T41 PolarHBondContact O-N 2.94Å; A37-T41 PolarHBondContact O-OG1 2.92Å; A37-T41 VanDerWaalsContact O-OG1 3.08Å; S38-T41 PolarHBondContact O-N 3.22Å; M39-T41 VanDerWaalsContact C-N 3.31Å; M39-T41 PolarHBondContact O-N 3.4Å; T41-D44 PolarHBondContact O-N 3.44Å; T41-L45 HydrophobicContact CG2-CD1 4.21Å; T41-L45 WeakPolarHBondContact O-CB 3.4Å; T41-L45 VanDerWaalsContact O-CG 3.25Å; T41-L45 WeakPolarHBondContact O-CG 3.44Å; T41-L45 PolarHBondContact O-N 3.5Å
42	G	93	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-40.1	176.1	0	0	0	0	0	113.7	S38 M39 L40 L46 Q90	S38-G42 PolarHBondContact O-N 3.03Å; M39-G42 WeakPolarHBondContact O-CA 3.32Å; M39-G42 PolarHBondContact O-N 2.84Å; L40-G42 VanDerWaalsContact C-N 3.28Å; L40-G42 PolarHBondContact O-N 2.9Å; G42-L46 PolarHBondContact O-N 3.37Å; G42-Q90 WeakPolarHBondContact CA-O 3.19Å
43	V	93.7	Very high	92.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-48	173.9	167.8	0	0	0	0	110.8	M39 L40 A47 V97 R120 A123 L554	M39-V43 WeakPolarHBondContact O-CG2 3.34Å; M39-V43 PolarHBondContact O-N 3.42Å; L40-V43 WeakPolarHBondContact O-CB 3.47Å; L40-V43 PolarHBondContact O-N 3.11Å; V43-A47 WeakPolarHBondContact O-CB 3.25Å; V43-A47 PolarHBondContact O-N 3.14Å; V43-V97 HydrophobicContact CB-CG2 4.09Å; V43-V97 HydrophobicContact CG1-CG2 3.82Å; V43-V97 HydrophobicContact CG2-CG2 3.73Å; V43-R120 HydrophobicContact CG1-CB 4.28Å; V43-R120 HydrophobicContact CG1-CG 4.38Å; V43-A123 HydrophobicContact CG1-CB 4.46Å; V43-L554 HydrophobicContact CG2-CD2 3.8Å
44	D	94.7	Very high	92.6	Very high	36 Å²	36	30.3 Å²	30.3	19%	0.193	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-44.4	-179.3	-78.1	-28.5	0	0	0	111.4	L40 T41 L46 A47 D48 R120	L40-D44 WeakPolarHBondContact O-CB 3.09Å; L40-D44 PolarHBondContact O-N 3.05Å; T41-D44 PolarHBondContact O-N 3.44Å; D44-L46 PolarHBondContact O-N 2.94Å; D44-A47 PolarHBondContact O-N 3.41Å; D44-D48 VanDerWaalsContact O-CB 3.24Å; D44-D48 WeakPolarHBondContact O-CB 3.3Å; D44-D48 VanDerWaalsContact O-CG 3.23Å; D44-D48 PolarHBondContact O-N 2.95Å; D44-R120 VanDerWaalsContact OD1-CD 3.3Å; D44-R120 WeakPolarHBondContact OD1-CD 3.28Å; D44-R120 VanDerWaalsContact OD1-CG 3.32Å; D44-R120 WeakPolarHBondContact OD1-CG 3.4Å
45	L	94.6	Very high	92.6	Very high	84 Å²	84	26 Å²	26	44%	0.44	16%	0.161	S	C	.	.	H	α-helix	trans	-59.6	-46.7	178.3	-75.5	171.1	0	0	0	112.6	T41 A49 L85	T41-L45 HydrophobicContact CG2-CD1 4.21Å; T41-L45 WeakPolarHBondContact O-CB 3.4Å; T41-L45 VanDerWaalsContact O-CG 3.25Å; T41-L45 WeakPolarHBondContact O-CG 3.44Å; T41-L45 PolarHBondContact O-N 3.5Å; L45-A49 PolarHBondContact O-N 3.49Å; L45-A49 VanDerWaalsContact O-N 3.15Å; L45-L85 HydrophobicContact CD1-CD1 4.26Å; L45-L85 HydrophobicContact CD1-CD2 4.32Å
46	L	93.8	Very high	92.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.6	-46.4	177.7	-176.3	156.6	0	0	0	110.8	G42 D44 D48 A49 V50 A80 V83 A94 V97 Q98 T116	G42-L46 PolarHBondContact O-N 3.37Å; D44-L46 PolarHBondContact O-N 2.94Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 2.95Å; L46-A49 PolarHBondContact O-N 3.36Å; L46-V50 HydrophobicContact CD2-CG2 3.95Å; L46-V50 WeakPolarHBondContact O-CG2 3.35Å; L46-V50 PolarHBondContact O-N 2.87Å; L46-A80 HydrophobicContact CD1-CB 4.37Å; L46-A80 HydrophobicContact CD2-CB 4.07Å; L46-A80 HydrophobicContact CG-CB 4.47Å; L46-V83 HydrophobicContact CB-CG1 4.32Å; L46-V83 HydrophobicContact CD1-CB 4.29Å; L46-V83 HydrophobicContact CD1-CG1 4.47Å; L46-V83 HydrophobicContact CG-CB 4.39Å; L46-V83 HydrophobicContact CG-CG1 4.5Å; L46-V83 HydrophobicContact CG-CG2 4.49Å; L46-A94 HydrophobicContact CB-CB 4.37Å; L46-A94 HydrophobicContact CD1-CB 3.98Å; L46-A94 VanDerWaalsContact CD1-O 3.29Å; L46-A94 WeakPolarHBondContact CD1-O 3.13Å; L46-V97 HydrophobicContact CD2-CB 4.13Å; L46-V97 HydrophobicContact CD2-CG1 3.64Å; L46-Q98 HydrophobicContact CD1-CB 4.25Å; L46-T116 HydrophobicContact CD2-CG2 3.72Å
47	A	94.2	Very high	92.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-33.3	-178.7	0	0	0	0	0	112.7	V43 D44 V50 A51 T116 R120	V43-A47 WeakPolarHBondContact O-CB 3.25Å; V43-A47 PolarHBondContact O-N 3.14Å; D44-A47 PolarHBondContact O-N 3.41Å; A47-V50 PolarHBondContact O-N 3.47Å; A47-A51 WeakPolarHBondContact O-CA 3.11Å; A47-A51 WeakPolarHBondContact O-CB 3.5Å; A47-A51 PolarHBondContact O-N 3.32Å; A47-T116 HydrophobicContact CB-CG2 4.14Å; A47-R120 HydrophobicContact CB-CB 3.75Å; A47-R120 HydrophobicContact CB-CG 4.04Å
48	D	95	Very high	92.6	Very high	92 Å²	92	29.3 Å²	29.3	49%	0.492	17%	0.174	S	C	.	.	H	α-helix	trans	-67	-41.2	173.1	-77.3	-18	0	0	0	111.2	D44 L46 V50 V52 R120	D44-D48 VanDerWaalsContact O-CB 3.24Å; D44-D48 WeakPolarHBondContact O-CB 3.3Å; D44-D48 VanDerWaalsContact O-CG 3.23Å; D44-D48 PolarHBondContact O-N 2.95Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 2.95Å; D48-V50 VanDerWaalsContact C-N 3.34Å; D48-V50 PolarHBondContact O-N 3.42Å; D48-V52 WeakPolarHBondContact O-CG1 3.45Å; D48-R120 IonicContact OD1-CZ 2.74Å; D48-R120 IonicContact OD1-NH1 2.67Å; D48-R120 PolarHBondContact OD1-NH1 2.96Å
49	A	94.8	Very high	92.6	Very high	35 Å²	35	35.6 Å²	35.6	29%	0.289	19%	0.194	S	C	.	.	H	α-helix	trans	-64.9	-36.4	175.2	0	0	0	0	0	112.7	L45 L46 V52 V79	L45-A49 PolarHBondContact O-N 3.49Å; L45-A49 VanDerWaalsContact O-N 3.15Å; L46-A49 PolarHBondContact O-N 3.36Å; A49-V52 VanDerWaalsContact O-CG2 3.26Å; A49-V52 WeakPolarHBondContact O-CG2 3.48Å; A49-V79 HydrophobicContact CB-CG1 4.3Å
50	V	94.4	Very high	92.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-81.1	-40.8	179.5	171.8	0	0	0	0	111.6	L46 A47 D48 V52 T53 V79 A80 T113 T116	L46-V50 HydrophobicContact CD2-CG2 3.95Å; L46-V50 WeakPolarHBondContact O-CG2 3.35Å; L46-V50 PolarHBondContact O-N 2.87Å; A47-V50 PolarHBondContact O-N 3.47Å; D48-V50 VanDerWaalsContact C-N 3.34Å; D48-V50 PolarHBondContact O-N 3.42Å; V50-V52 PolarHBondContact O-N 3.31Å; V50-V52 VanDerWaalsContact O-N 3.07Å; V50-T53 PolarHBondContact O-N 3.1Å; V50-T53 PolarHBondContact O-OG1 3.25Å; V50-T53 VanDerWaalsContact O-OG1 3.06Å; V50-V79 HydrophobicContact CG2-CB 4.08Å; V50-V79 HydrophobicContact CG2-CG1 3.78Å; V50-A80 HydrophobicContact CG2-CB 4.06Å; V50-T113 HydrophobicContact CG1-CG2 3.72Å; V50-T113 WeakPolarHBondContact O-CG2 3.28Å; V50-T116 HydrophobicContact CB-CG2 4.01Å; V50-T116 HydrophobicContact CG1-CG2 3.94Å; V50-T116 HydrophobicContact CG2-CG2 4.31Å
51	A	93.9	Very high	92.7	Very high	8 Å²	8	39.6 Å²	39.6	7%	0.066	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-22.7	-173.7	0	0	0	0	0	114.1	A47 T53 M54 V117 T492 N496	A47-A51 WeakPolarHBondContact O-CA 3.11Å; A47-A51 WeakPolarHBondContact O-CB 3.5Å; A47-A51 PolarHBondContact O-N 3.32Å; A51-T53 PolarHBondContact O-N 3.04Å; A51-M54 WeakPolarHBondContact O-CB 3.4Å; A51-M54 PolarHBondContact O-N 3.47Å; A51-V117 HydrophobicContact CB-CG2 3.82Å; A51-T492 HydrophobicContact CB-CG2 4.14Å; A51-N496 PolarHBondContact O-ND2 2.93Å
52	V	94.3	Very high	92.7	Very high	54 Å²	54	42.3 Å²	42.3	33%	0.327	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.5	175.9	-58.3	0	0	0	0	113	D48 A49 V50 G58 R59 V61	D48-V52 WeakPolarHBondContact O-CG1 3.45Å; A49-V52 VanDerWaalsContact O-CG2 3.26Å; A49-V52 WeakPolarHBondContact O-CG2 3.48Å; V50-V52 PolarHBondContact O-N 3.31Å; V50-V52 VanDerWaalsContact O-N 3.07Å; V52-G58 CarbonylContact O-C 3.56Å; V52-G58 WeakPolarHBondContact O-CA 3.29Å; V52-R59 PolarHBondContact O-N 3.08Å; V52-V61 HydrophobicContact CG2-CG2 3.56Å
53	T	92.4	Very high	92.6	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.2	-178.7	75.5	0	0	0	0	113.1	V50 A51 R59 V61 K74 T113	V50-T53 PolarHBondContact O-N 3.1Å; V50-T53 PolarHBondContact O-OG1 3.25Å; V50-T53 VanDerWaalsContact O-OG1 3.06Å; A51-T53 PolarHBondContact O-N 3.04Å; T53-R59 WeakPolarHBondContact CA-O 3.39Å; T53-R59 WeakPolarHBondContact CG2-O 3.38Å; T53-V61 HydrophobicContact CG2-CG2 3.8Å; T53-K74 WeakPolarHBondContact CB-O 3.24Å; T53-K74 HydrophobicContact CG2-CG 4.4Å; T53-K74 WeakPolarHBondContact O-CE 3.47Å; T53-K74 PolarHBondContact OG1-O 2.93Å; T53-K74 VanDerWaalsContact OG1-O 3.07Å; T53-T113 WeakPolarHBondContact OG1-CG2 3.33Å; T53-T113 PolarHBondContact OG1-OG1 2.77Å
54	M	92.1	Very high	92.5	Very high	14 Å²	14	51.6 Å²	51.6	7%	0.069	27%	0.272	C	S	.	.			trans	-68.2	133.6	-172.7	-170.6	175.1	-77.9	0	0	113	A51 T113 C114 V117 T492 I493 N496	A51-M54 WeakPolarHBondContact O-CB 3.4Å; A51-M54 PolarHBondContact O-N 3.47Å; M54-T113 HydrophobicContact CB-CG2 3.74Å; M54-T113 VanDerWaalsContact CE-C 3.48Å; M54-T113 HydrophobicContact CE-CG2 3.87Å; M54-T113 VanDerWaalsContact CE-O 3.26Å; M54-T113 WeakPolarHBondContact CE-O 3.16Å; M54-T113 HydrophobicContact CG-CG2 4.4Å; M54-C114 VanDerWaalsContact CE-CA 3.46Å; M54-C114 HydrophobicContact CE-CB 4.27Å; M54-V117 HydrophobicContact CE-CB 3.79Å; M54-V117 HydrophobicContact CE-CG1 4.41Å; M54-V117 HydrophobicContact CE-CG2 3.45Å; M54-V117 VanDerWaalsContact CE-CG2 3.45Å; M54-V117 HydrophobicContact SD-CG2 4.38Å; M54-T492 HydrophobicContact CB-CG2 4.06Å; M54-T492 HydrophobicContact CG-CG2 4.39Å; M54-T492 HydrophobicContact SD-CG2 3.7Å; M54-I493 HydrophobicContact CG-CG1 3.78Å; M54-I493 HydrophobicContact SD-CG1 4.03Å; M54-N496 PolarHBondContact O-ND2 3.12Å
55	G	88.9	Confident	92.1	Very high	20 Å²	20	53.6 Å²	53.6	21%	0.206	28%	0.28	C	S	.	.	S	Bend	trans	87.1	173.9	171.8	0	0	0	0	0	114.6	K57 G58 K74	G55-K57 VanDerWaalsContact C-N 3.33Å; G55-K57 PolarHBondContact O-N 3.06Å; G55-G58 PolarHBondContact O-N 2.75Å; G55-K74 WeakPolarHBondContact O-CE 3.33Å; G55-K74 PolarHBondContact O-NZ 3.48Å
56	P	87.2	Confident	91.6	Very high	52 Å²	52	55.4 Å²	55.4	34%	0.338	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-39.3	-175.9	23.4	-33.2	0	0	0	112.1	G58 K74 A520 L521	P56-G58 VanDerWaalsContact C-N 3.27Å; P56-G58 PolarHBondContact O-N 3.02Å; P56-K74 PolarHBondContact O-NZ 2.97Å; P56-A520 HydrophobicContact CG-CB 3.89Å; P56-L521 HydrophobicContact CB-CB 4.07Å; P56-L521 HydrophobicContact CB-CD1 4.25Å; P56-L521 HydrophobicContact CG-CB 4.14Å
57	K	89.9	Confident	91	Very high	90 Å²	90	64 Å²	64	39%	0.391	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	13.5	174.1	-66.6	-175	177.8	168.4	0	114	G55 A497 A520 L521	G55-K57 VanDerWaalsContact C-N 3.33Å; G55-K57 PolarHBondContact O-N 3.06Å; K57-A497 HydrophobicContact CB-CB 4.35Å; K57-A497 HydrophobicContact CD-CB 3.85Å; K57-A520 WeakPolarHBondContact CD-O 3.29Å; K57-A520 VanDerWaalsContact CE-O 3.24Å; K57-A520 WeakPolarHBondContact CE-O 3.42Å; K57-A520 PolarHBondContact NZ-O 3.18Å; K57-L521 VanDerWaalsContact CE-O 3.28Å; K57-L521 WeakPolarHBondContact CE-O 3.24Å; K57-L521 PolarHBondContact NZ-O 2.99Å
58	G	89.2	Confident	90.3	Very high	12 Å²	12	67.5 Å²	67.5	12%	0.124	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-61.3	145.5	170.7	0	0	0	0	0	111.3	V52 G55 P56	V52-G58 CarbonylContact O-C 3.56Å; V52-G58 WeakPolarHBondContact O-CA 3.29Å; G55-G58 PolarHBondContact O-N 2.75Å; P56-G58 VanDerWaalsContact C-N 3.27Å; P56-G58 PolarHBondContact O-N 3.02Å
59	R	92.2	Very high	89.7	Confident	154 Å²	154	66.8 Å²	66.8	58%	0.581	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-101.2	159	-176.7	-63.8	173.4	-175.9	74.8	2.3	110.6	V52 T53 N496	V52-R59 PolarHBondContact O-N 3.08Å; T53-R59 WeakPolarHBondContact CA-O 3.39Å; T53-R59 WeakPolarHBondContact CG2-O 3.38Å; R59-N496 PolarHBondContact NH1-O 3.45Å
60	N	91.5	Very high	89.4	Confident	86 Å²	86	68 Å²	68	46%	0.46	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-81.4	151.7	178.9	-58.6	-18.5	0	0	0	111.2	I72	N60-I72 HydrophobicContact CB-CG2 3.63Å
61	V	93.4	Very high	89.1	Confident	28 Å²	28	70.6 Å²	70.6	17%	0.17	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137	171	178.7	0	0	0	0	108.7	V52 T53 I63 T73 V79	V52-V61 HydrophobicContact CG2-CG2 3.56Å; T53-V61 HydrophobicContact CG2-CG2 3.8Å; V61-I63 HydrophobicContact CG1-CG1 4.27Å; V61-T73 PolarHBondContact N-O 3.09Å; V61-T73 PolarHBondContact O-N 2.89Å; V61-V79 HydrophobicContact CB-CG1 4.45Å; V61-V79 HydrophobicContact CB-CG2 3.61Å; V61-V79 HydrophobicContact CG1-CG1 4.07Å; V61-V79 HydrophobicContact CG1-CG2 3.92Å; V61-V79 HydrophobicContact CG2-CG1 4.28Å; V61-V79 HydrophobicContact CG2-CG2 3.85Å
62	I	93.4	Very high	88.9	Confident	119 Å²	119	72.9 Å²	72.9	61%	0.61	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	123	178	-53.5	-179.8	0	0	0	107.9	P70 I72	I62-P70 HydrophobicContact CG2-CB 3.71Å; I62-P70 HydrophobicContact CG2-CG 4.19Å; I62-I72 HydrophobicContact CG1-CG1 4.34Å
63	I	92	Very high	88.6	Confident	18 Å²	18	70.3 Å²	70.3	9%	0.092	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.4	-177.9	-58.1	167.9	0	0	0	108.4	V61 Q65 P70 K71 T73 T78 V79 A82	V61-I63 HydrophobicContact CG1-CG1 4.27Å; I63-Q65 PolarHBondContact O-N 3.41Å; I63-P70 CarbonylContact O-C 3.47Å; I63-P70 WeakPolarHBondContact O-CA 3.36Å; I63-K71 HydrophobicContact CB-CB 4.46Å; I63-K71 PolarHBondContact N-O 3.37Å; I63-K71 PolarHBondContact O-N 3.46Å; I63-T73 HydrophobicContact CD1-CG2 3.74Å; I63-T78 HydrophobicContact CD1-CG2 3.88Å; I63-V79 HydrophobicContact CD1-CG2 4.38Å; I63-A82 HydrophobicContact CB-CB 4.49Å; I63-A82 HydrophobicContact CD1-CB 3.88Å; I63-A82 HydrophobicContact CG1-CB 4.11Å; I63-A82 HydrophobicContact CG2-CB 3.57Å
64	E	90.9	Very high	88.4	Confident	178 Å²	178	71.2 Å²	71.2	83%	0.832	39%	0.385	S	S	*	.			trans	-60.4	135	172	-175.3	177.6	-152.5	0	0	110.3
65	Q	85.5	Confident	88.2	Confident	78 Å²	78	71.3 Å²	71.3	36%	0.364	39%	0.386	S	S	.	.			trans	-109.3	141.5	173.3	-62.6	-64.3	-58.9	0	0	108.2	I63 W67 K71	I63-Q65 PolarHBondContact O-N 3.41Å; Q65-W67 WeakPolarHBondContact CB-O 3.46Å; Q65-W67 PolarHBondContact O-N 3.31Å; Q65-W67 VanDerWaalsContact O-N 3.11Å; Q65-K71 HydrophobicContact CG-CB 4.21Å
66	S	85	Confident	88.1	Confident	121 Å²	121	70.3 Å²	70.3	85%	0.846	38%	0.376	S	S	*	.	S	Bend	trans	-61.4	-21.3	178.2	-53.1	0	0	0	0	113.3
67	W	80.4	Confident	88.2	Confident	181 Å²	181	68 Å²	68	69%	0.686	36%	0.361	S	S	*	.	S	Bend	trans	-143	144.7	173.3	59.7	80.2	0	0	0	110.2	Q65	Q65-W67 WeakPolarHBondContact CB-O 3.46Å; Q65-W67 PolarHBondContact O-N 3.31Å; Q65-W67 VanDerWaalsContact O-N 3.11Å
68	G	79.8	Confident	88.2	Confident	74 Å²	74	65.2 Å²	65.2	76%	0.763	35%	0.351	S	S	*	.	S	Bend	trans	82.7	-164.1	176.4	0	0	0	0	0	114.4
69	S	83.3	Confident	88.4	Confident	76 Å²	76	64.8 Å²	64.8	53%	0.531	35%	0.346	S	S	.	.	S	Bend	trans	-73.2	149.3	179.1	-60.4	0	0	0	0	111.3
70	P	88	Confident	88.4	Confident	62 Å²	62	57.5 Å²	57.5	40%	0.403	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-61	145.3	175.8	27.3	-35.2	0	0	0	111	I62 I63	I62-P70 HydrophobicContact CG2-CB 3.71Å; I62-P70 HydrophobicContact CG2-CG 4.19Å; I63-P70 CarbonylContact O-C 3.47Å; I63-P70 WeakPolarHBondContact O-CA 3.36Å
71	K	87.2	Confident	88.3	Confident	53 Å²	53	58.5 Å²	58.5	23%	0.23	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.1	175.6	-173.5	175.1	-177.7	-175.3	0	108.8	I63 Q65 T78 D433	I63-K71 HydrophobicContact CB-CB 4.46Å; I63-K71 PolarHBondContact N-O 3.37Å; I63-K71 PolarHBondContact O-N 3.46Å; Q65-K71 HydrophobicContact CG-CB 4.21Å; K71-T78 HydrophobicContact CD-CG2 3.99Å; K71-D433 WeakPolarHBondContact CE-OD2 3.31Å; K71-D433 IonicContact NZ-OD1 3.43Å; K71-D433 IonicContact NZ-OD2 3.78Å; K71-D433 PolarHBondContact NZ-OD2 3.41Å
72	I	90.6	Very high	88.2	Confident	56 Å²	56	59.5 Å²	59.5	29%	0.287	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.8	170.1	-57.6	-179.9	0	0	0	106.9	N60 I62 V426	N60-I72 HydrophobicContact CB-CG2 3.63Å; I62-I72 HydrophobicContact CG1-CG1 4.34Å; I72-V426 HydrophobicContact CB-CG1 3.92Å; I72-V426 HydrophobicContact CD1-CG1 3.83Å; I72-V426 HydrophobicContact CG1-CG1 3.75Å
73	T	88.7	Confident	88.2	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.7	-179	-170.7	0	0	0	0	111.8	V61 I63 D75 T78 V79	V61-T73 PolarHBondContact N-O 3.09Å; V61-T73 PolarHBondContact O-N 2.89Å; I63-T73 HydrophobicContact CD1-CG2 3.74Å; T73-D75 PolarHBondContact OG1-N 3.26Å; T73-D75 VanDerWaalsContact OG1-N 3.09Å; T73-T78 HydrophobicContact CG2-CG2 3.83Å; T73-V79 HydrophobicContact CG2-CG2 3.77Å
74	K	88.1	Confident	88.1	Confident	23 Å²	23	60.8 Å²	60.8	10%	0.1	34%	0.335	C	S	.	.			trans	-108.3	-5.7	168.1	-161.3	172.8	173.6	-169.7	0	111.9	T53 G55 P56 G76 N176	T53-K74 WeakPolarHBondContact CB-O 3.24Å; T53-K74 HydrophobicContact CG2-CG 4.4Å; T53-K74 WeakPolarHBondContact O-CE 3.47Å; T53-K74 PolarHBondContact OG1-O 2.93Å; T53-K74 VanDerWaalsContact OG1-O 3.07Å; G55-K74 WeakPolarHBondContact O-CE 3.33Å; G55-K74 PolarHBondContact O-NZ 3.48Å; P56-K74 PolarHBondContact O-NZ 2.97Å; K74-G76 PolarHBondContact O-N 3.38Å; K74-N176 WeakPolarHBondContact CE-OD1 3.42Å; K74-N176 VanDerWaalsContact NZ-CG 3.3Å; K74-N176 PolarHBondContact NZ-OD1 2.86Å
75	D	87.3	Confident	88.2	Confident	15 Å²	15	54 Å²	54	8%	0.08	30%	0.304	C	S	.	.			trans	-73.4	123.4	179.5	167.6	32.3	0	0	0	111.1	T73 V77 T78 V79 T112	T73-D75 PolarHBondContact OG1-N 3.26Å; T73-D75 VanDerWaalsContact OG1-N 3.09Å; D75-V77 VanDerWaalsContact C-N 3.35Å; D75-V77 PolarHBondContact O-N 3.28Å; D75-V77 WeakPolarHBondContact OD1-CG1 3.28Å; D75-V77 PolarHBondContact OD1-N 3.45Å; D75-V77 WeakPolarHBondContact OD2-CG1 3.31Å; D75-T78 PolarHBondContact O-N 2.98Å; D75-T78 VanDerWaalsContact OD2-CB 3.31Å; D75-T78 WeakPolarHBondContact OD2-CB 3.4Å; D75-T78 PolarHBondContact OD2-N 3.43Å; D75-T78 PolarHBondContact OD2-OG1 2.96Å; D75-V79 WeakPolarHBondContact O-CG2 3.43Å; D75-V79 PolarHBondContact O-N 3.02Å; D75-T112 PolarHBondContact OD1-OG1 2.96Å
76	G	87.6	Confident	88.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-33.6	-178.8	0	0	0	0	0	113.7	K74 V79 A80 T113	K74-G76 PolarHBondContact O-N 3.38Å; G76-V79 PolarHBondContact O-N 2.95Å; G76-A80 VanDerWaalsContact O-CB 3.32Å; G76-A80 WeakPolarHBondContact O-CB 2.99Å; G76-A80 PolarHBondContact O-N 3.31Å; G76-T113 WeakPolarHBondContact CA-OG1 3.34Å
77	V	89.4	Confident	88.6	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-75.7	-37.3	-179.1	71	0	0	0	0	111.5	D75 V79 A80 K81 A101 N102 N105 T112	D75-V77 VanDerWaalsContact C-N 3.35Å; D75-V77 PolarHBondContact O-N 3.28Å; D75-V77 WeakPolarHBondContact OD1-CG1 3.28Å; D75-V77 PolarHBondContact OD1-N 3.45Å; D75-V77 WeakPolarHBondContact OD2-CG1 3.31Å; V77-V79 VanDerWaalsContact C-N 3.31Å; V77-V79 PolarHBondContact O-N 2.96Å; V77-A80 PolarHBondContact O-N 2.86Å; V77-K81 HydrophobicContact CG2-CD 4.29Å; V77-K81 HydrophobicContact CG2-CG 4.38Å; V77-K81 WeakPolarHBondContact O-CB 3.28Å; V77-K81 VanDerWaalsContact O-CG 3.29Å; V77-K81 WeakPolarHBondContact O-CG 3.41Å; V77-K81 PolarHBondContact O-N 3.4Å; V77-A101 HydrophobicContact CB-CB 4.34Å; V77-A101 HydrophobicContact CG2-CB 4.17Å; V77-N102 WeakPolarHBondContact CG2-OD1 3.4Å; V77-N105 HydrophobicContact CB-CB 4.4Å; V77-N105 HydrophobicContact CG1-CB 4.15Å; V77-N105 HydrophobicContact CG2-CB 4.37Å; V77-T112 HydrophobicContact CB-CG2 3.91Å; V77-T112 HydrophobicContact CG1-CG2 4.19Å; V77-T112 PolarHBondContact N-OG1 3.18Å
78	T	88.9	Confident	89	Confident	31 Å²	31	54.9 Å²	54.9	19%	0.19	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-42	173.1	-63	0	0	0	0	111.1	I63 K71 T73 D75 K81 A82	I63-T78 HydrophobicContact CD1-CG2 3.88Å; K71-T78 HydrophobicContact CD-CG2 3.99Å; T73-T78 HydrophobicContact CG2-CG2 3.83Å; D75-T78 PolarHBondContact O-N 2.98Å; D75-T78 VanDerWaalsContact OD2-CB 3.31Å; D75-T78 WeakPolarHBondContact OD2-CB 3.4Å; D75-T78 PolarHBondContact OD2-N 3.43Å; D75-T78 PolarHBondContact OD2-OG1 2.96Å; T78-K81 PolarHBondContact O-N 3.12Å; T78-A82 PolarHBondContact O-N 2.83Å
79	V	92.6	Very high	89.5	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-49.7	174.8	177	0	0	0	0	111.3	A49 V50 V61 I63 T73 D75 G76 V77 K81 A82 V83	A49-V79 HydrophobicContact CB-CG1 4.3Å; V50-V79 HydrophobicContact CG2-CB 4.08Å; V50-V79 HydrophobicContact CG2-CG1 3.78Å; V61-V79 HydrophobicContact CB-CG1 4.45Å; V61-V79 HydrophobicContact CB-CG2 3.61Å; V61-V79 HydrophobicContact CG1-CG1 4.07Å; V61-V79 HydrophobicContact CG1-CG2 3.92Å; V61-V79 HydrophobicContact CG2-CG1 4.28Å; V61-V79 HydrophobicContact CG2-CG2 3.85Å; I63-V79 HydrophobicContact CD1-CG2 4.38Å; T73-V79 HydrophobicContact CG2-CG2 3.77Å; D75-V79 WeakPolarHBondContact O-CG2 3.43Å; D75-V79 PolarHBondContact O-N 3.02Å; G76-V79 PolarHBondContact O-N 2.95Å; V77-V79 VanDerWaalsContact C-N 3.31Å; V77-V79 PolarHBondContact O-N 2.96Å; V79-K81 PolarHBondContact O-N 3.33Å; V79-A82 PolarHBondContact O-N 2.72Å; V79-V83 PolarHBondContact O-N 2.72Å
80	A	92.5	Very high	89.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-35.1	179.3	0	0	0	0	0	112.3	L46 V50 G76 V77 A82 Q98 A101	L46-A80 HydrophobicContact CD1-CB 4.37Å; L46-A80 HydrophobicContact CD2-CB 4.07Å; L46-A80 HydrophobicContact CG-CB 4.47Å; V50-A80 HydrophobicContact CG2-CB 4.06Å; G76-A80 VanDerWaalsContact O-CB 3.32Å; G76-A80 WeakPolarHBondContact O-CB 2.99Å; G76-A80 PolarHBondContact O-N 3.31Å; V77-A80 PolarHBondContact O-N 2.86Å; A80-A82 VanDerWaalsContact C-N 3.35Å; A80-Q98 HydrophobicContact CB-CG 4.38Å; A80-A101 HydrophobicContact CB-CB 4.15Å
81	K	91.1	Very high	90.1	Very high	107 Å²	107	49.1 Å²	49.1	47%	0.465	24%	0.238	S	C	.	.	H	α-helix	trans	-69.5	-28.4	176.9	-76.3	175.9	-179.4	174.3	0	114.6	V77 T78 V79 Q98 N102	V77-K81 HydrophobicContact CG2-CD 4.29Å; V77-K81 HydrophobicContact CG2-CG 4.38Å; V77-K81 WeakPolarHBondContact O-CB 3.28Å; V77-K81 VanDerWaalsContact O-CG 3.29Å; V77-K81 WeakPolarHBondContact O-CG 3.41Å; V77-K81 PolarHBondContact O-N 3.4Å; T78-K81 PolarHBondContact O-N 3.12Å; V79-K81 PolarHBondContact O-N 3.33Å; K81-Q98 VanDerWaalsContact CA-NE2 3.32Å; K81-Q98 HydrophobicContact CG-CG 4.47Å; K81-N102 WeakPolarHBondContact CE-OD1 3.14Å
82	A	91.3	Very high	90.3	Very high	50 Å²	50	49 Å²	49	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-81.7	-14.8	-179.9	0	0	0	0	0	113.5	I63 T78 V79 A80 E84	I63-A82 HydrophobicContact CB-CB 4.49Å; I63-A82 HydrophobicContact CD1-CB 3.88Å; I63-A82 HydrophobicContact CG1-CB 4.11Å; I63-A82 HydrophobicContact CG2-CB 3.57Å; T78-A82 PolarHBondContact O-N 2.83Å; V79-A82 PolarHBondContact O-N 2.72Å; A80-A82 VanDerWaalsContact C-N 3.35Å; A82-E84 PolarHBondContact O-N 2.85Å
83	V	91.9	Very high	90.3	Very high	28 Å²	28	46.3 Å²	46.3	17%	0.17	23%	0.228	C	C	.	.			trans	-82.1	109.4	-179.2	179.7	0	0	0	0	110.2	L46 V79 L85	L46-V83 HydrophobicContact CB-CG1 4.32Å; L46-V83 HydrophobicContact CD1-CB 4.29Å; L46-V83 HydrophobicContact CD1-CG1 4.47Å; L46-V83 HydrophobicContact CG-CB 4.39Å; L46-V83 HydrophobicContact CG-CG1 4.5Å; L46-V83 HydrophobicContact CG-CG2 4.49Å; V79-V83 PolarHBondContact O-N 2.72Å; V83-L85 HydrophobicContact CG1-CD2 4.05Å; V83-L85 HydrophobicContact CG1-CG 4.3Å
84	E	91.2	Very high	90.5	Very high	135 Å²	135	46.3 Å²	46.3	63%	0.631	23%	0.228	S	C	*	.			trans	-122	126.4	167.3	-62.3	-163.9	160.9	0	0	110	A82 R95	A82-E84 PolarHBondContact O-N 2.85Å; E84-R95 VanDerWaalsContact CD-NH2 3.32Å; E84-R95 IonicContact OE1-CZ 3.49Å; E84-R95 IonicContact OE1-NH1 3.76Å; E84-R95 IonicContact OE1-NH2 3.81Å; E84-R95 PolarHBondContact OE1-NH2 2.88Å
85	L	91.6	Very high	90.7	Very high	35 Å²	35	49.1 Å²	49.1	18%	0.183	24%	0.238	C	C	.	.			trans	-100	138.2	-176.4	-57.8	179.3	0	0	0	111	L45 V83 Q90 N91 A94	L45-L85 HydrophobicContact CD1-CD1 4.26Å; L45-L85 HydrophobicContact CD1-CD2 4.32Å; V83-L85 HydrophobicContact CG1-CD2 4.05Å; V83-L85 HydrophobicContact CG1-CG 4.3Å; L85-Q90 HydrophobicContact CB-CB 4.47Å; L85-Q90 HydrophobicContact CD1-CB 3.71Å; L85-N91 HydrophobicContact CB-CB 4.02Å; L85-N91 PolarHBondContact N-OD1 3.06Å; L85-A94 HydrophobicContact CD1-CB 3.91Å; L85-A94 HydrophobicContact CG-CB 4.37Å
86	K	90.2	Very high	90.9	Very high	199 Å²	199	51.1 Å²	51.1	87%	0.865	25%	0.248	S	C	*	.	S	Bend	trans	-61.2	-45	177.7	-175.8	-179.8	179.6	-178.1	0	111.7	K88	K86-K88 PolarHBondContact O-N 2.58Å
87	E	89.9	Confident	91.1	Very high	98 Å²	98	51.4 Å²	51.4	46%	0.458	25%	0.25	S	C	.	.	S	Bend	trans	-72.8	116.6	178.4	-72.5	-59.8	148.3	0	0	110.5	W89 Q90 N91	E87-W89 VanDerWaalsContact C-N 3.29Å; E87-W89 PolarHBondContact O-N 3.49Å; E87-Q90 HydrophobicContact CB-CB 4.13Å; E87-Q90 HydrophobicContact CB-CG 3.97Å; E87-Q90 PolarHBondContact O-N 2.69Å; E87-N91 WeakPolarHBondContact O-CB 3.45Å; E87-N91 PolarHBondContact O-N 2.81Å
88	K	89	Confident	91.3	Very high	103 Å²	103	52 Å²	52	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-38	-174.4	-63.7	-63.9	-177.1	-176.2	0	112.6	K86 N91 V92 T562	K86-K88 PolarHBondContact O-N 2.58Å; K88-N91 PolarHBondContact O-N 2.93Å; K88-V92 WeakPolarHBondContact O-CG2 3.41Å; K88-V92 PolarHBondContact O-N 3.38Å; K88-T562 HydrophobicContact CB-CG2 3.97Å
89	W	88.4	Confident	91.4	Very high	15 Å²	15	54 Å²	54	6%	0.057	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-46.8	179	-52	110.2	0	0	0	112.7	D28 R30 E87 N91 V92 V560 T562	D28-W89 HydrophobicContact CB-CH2 4.11Å; D28-W89 HydrophobicContact CB-CZ2 3.72Å; D28-W89 VanDerWaalsContact O-CH2 3.29Å; D28-W89 WeakPolarHBondContact O-CH2 3.27Å; D28-W89 WeakPolarHBondContact OD2-CZ2 3.39Å; R30-W89 HydrophobicContact CB-CH2 4.13Å; R30-W89 HydrophobicContact CB-CZ2 4.48Å; R30-W89 HydrophobicContact CB-CZ3 4.21Å; R30-W89 HydrophobicContact CG-CH2 3.87Å; R30-W89 HydrophobicContact CG-CZ2 3.76Å; R30-W89 HydrophobicContact CG-CZ3 4.34Å; E87-W89 VanDerWaalsContact C-N 3.29Å; E87-W89 PolarHBondContact O-N 3.49Å; W89-N91 VanDerWaalsContact C-N 3.33Å; W89-V92 PolarHBondContact O-N 2.94Å; W89-V560 HydrophobicContact CE3-CB 3.99Å; W89-V560 HydrophobicContact CE3-CG1 3.7Å; W89-V560 HydrophobicContact CZ3-CB 3.75Å; W89-V560 HydrophobicContact CZ3-CG1 3.68Å; W89-V560 VanDerWaalsContact CZ3-O 3.29Å; W89-V560 WeakPolarHBondContact CZ3-O 3.49Å; W89-T562 HydrophobicContact CD2-CG2 3.86Å; W89-T562 HydrophobicContact CE3-CG2 3.33Å; W89-T562 HydrophobicContact CH2-CG2 4.04Å; W89-T562 WeakPolarHBondContact CH2-OG1 3.3Å; W89-T562 HydrophobicContact CZ2-CG2 4.47Å; W89-T562 WeakPolarHBondContact CZ2-OG1 3.04Å; W89-T562 HydrophobicContact CZ3-CG2 3.42Å; W89-T562 VanDerWaalsContact CZ3-CG2 3.42Å; W89-T562 WeakPolarHBondContact CZ3-OG1 3.35Å
90	Q	91.9	Very high	91.3	Very high	51 Å²	51	53.9 Å²	53.9	24%	0.238	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-40.7	175.7	-61.4	176.2	-3.7	0	0	109.9	S38 G42 L85 E87 V92 G93 A94	S38-Q90 WeakPolarHBondContact O-CG 3.48Å; G42-Q90 WeakPolarHBondContact CA-O 3.19Å; L85-Q90 HydrophobicContact CB-CB 4.47Å; L85-Q90 HydrophobicContact CD1-CB 3.71Å; E87-Q90 HydrophobicContact CB-CB 4.13Å; E87-Q90 HydrophobicContact CB-CG 3.97Å; E87-Q90 PolarHBondContact O-N 2.69Å; Q90-V92 VanDerWaalsContact C-N 3.29Å; Q90-V92 PolarHBondContact O-N 2.84Å; Q90-G93 PolarHBondContact O-N 3.39Å; Q90-G93 VanDerWaalsContact O-N 3.08Å; Q90-A94 PolarHBondContact O-N 3.12Å
91	N	92.6	Very high	91.3	Very high	24 Å²	24	53.9 Å²	53.9	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-34.8	179.1	-161	51.7	0	0	0	112.6	L85 E87 K88 W89 G93 A94 R95	L85-N91 HydrophobicContact CB-CB 4.02Å; L85-N91 PolarHBondContact N-OD1 3.06Å; E87-N91 WeakPolarHBondContact O-CB 3.45Å; E87-N91 PolarHBondContact O-N 2.81Å; K88-N91 PolarHBondContact O-N 2.93Å; W89-N91 VanDerWaalsContact C-N 3.33Å; N91-G93 VanDerWaalsContact C-N 3.34Å; N91-A94 PolarHBondContact O-N 2.84Å; N91-R95 WeakPolarHBondContact O-CB 3.3Å; N91-R95 VanDerWaalsContact O-CG 3.26Å; N91-R95 WeakPolarHBondContact O-CG 3.31Å; N91-R95 PolarHBondContact O-N 2.73Å
92	V	91.4	Very high	91.3	Very high	51 Å²	51	50 Å²	50	31%	0.309	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-45.8	172.9	170.7	0	0	0	0	110.7	M39 K88 W89 Q90 R95 L96 V560 T562	M39-V92 HydrophobicContact SD-CG1 4.41Å; K88-V92 WeakPolarHBondContact O-CG2 3.41Å; K88-V92 PolarHBondContact O-N 3.38Å; W89-V92 PolarHBondContact O-N 2.94Å; Q90-V92 VanDerWaalsContact C-N 3.29Å; Q90-V92 PolarHBondContact O-N 2.84Å; V92-R95 PolarHBondContact O-N 3.33Å; V92-L96 HydrophobicContact CG1-CD1 4.35Å; V92-L96 WeakPolarHBondContact O-CG 3.25Å; V92-L96 PolarHBondContact O-N 2.86Å; V92-L96 VanDerWaalsContact O-N 3.13Å; V92-V560 HydrophobicContact CG1-CG1 4.41Å; V92-T562 HydrophobicContact CG2-CG2 4.05Å
93	G	91	Very high	91.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-45.5	174.9	0	0	0	0	0	112.5	Q90 N91 L96 V97	Q90-G93 PolarHBondContact O-N 3.39Å; Q90-G93 VanDerWaalsContact O-N 3.08Å; N91-G93 VanDerWaalsContact C-N 3.34Å; G93-L96 PolarHBondContact O-N 3.08Å; G93-V97 PolarHBondContact O-N 2.81Å
94	A	92.8	Very high	91.1	Very high	1 Å²	1	51 Å²	51	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-46.5	177	0	0	0	0	0	112.3	L46 L85 Q90 N91 L96 V97 Q98	L46-A94 HydrophobicContact CB-CB 4.37Å; L46-A94 HydrophobicContact CD1-CB 3.98Å; L46-A94 VanDerWaalsContact CD1-O 3.29Å; L46-A94 WeakPolarHBondContact CD1-O 3.13Å; L85-A94 HydrophobicContact CD1-CB 3.91Å; L85-A94 HydrophobicContact CG-CB 4.37Å; Q90-A94 PolarHBondContact O-N 3.12Å; N91-A94 PolarHBondContact O-N 2.84Å; A94-L96 VanDerWaalsContact C-N 3.31Å; A94-L96 PolarHBondContact O-N 2.85Å; A94-V97 PolarHBondContact O-N 3.4Å; A94-Q98 WeakPolarHBondContact O-CB 3.47Å; A94-Q98 PolarHBondContact O-N 3.49Å
95	R	92.5	Very high	91	Very high	82 Å²	82	46.8 Å²	46.8	31%	0.309	22%	0.22	S	C	.	.	H	α-helix	trans	-59.5	-39.3	177.8	-72.1	-59.4	-169.4	-170.6	-2.9	112.6	E84 N91 V92 V97 Q98 D99	E84-R95 VanDerWaalsContact CD-NH2 3.32Å; E84-R95 IonicContact OE1-CZ 3.49Å; E84-R95 IonicContact OE1-NH1 3.76Å; E84-R95 IonicContact OE1-NH2 3.81Å; E84-R95 PolarHBondContact OE1-NH2 2.88Å; N91-R95 WeakPolarHBondContact O-CB 3.3Å; N91-R95 VanDerWaalsContact O-CG 3.26Å; N91-R95 WeakPolarHBondContact O-CG 3.31Å; N91-R95 PolarHBondContact O-N 2.73Å; V92-R95 PolarHBondContact O-N 3.33Å; R95-V97 PolarHBondContact O-N 3.23Å; R95-Q98 WeakPolarHBondContact O-CB 3.35Å; R95-Q98 PolarHBondContact O-N 3.21Å; R95-D99 PolarHBondContact O-N 3.12Å
96	L	91.8	Very high	90.7	Very high	57 Å²	57	52.7 Å²	52.7	30%	0.298	25%	0.247	S	C	.	.	H	α-helix	trans	-64	-40.1	177.4	-71.4	171.1	0	0	0	112.2	V92 G93 A94 D99 V100 V550 L554	V92-L96 HydrophobicContact CG1-CD1 4.35Å; V92-L96 WeakPolarHBondContact O-CG 3.25Å; V92-L96 PolarHBondContact O-N 2.86Å; V92-L96 VanDerWaalsContact O-N 3.13Å; G93-L96 PolarHBondContact O-N 3.08Å; A94-L96 VanDerWaalsContact C-N 3.31Å; A94-L96 PolarHBondContact O-N 2.85Å; L96-D99 PolarHBondContact O-N 3Å; L96-V100 PolarHBondContact O-N 2.77Å; L96-V550 HydrophobicContact CB-CG1 4.1Å; L96-L554 HydrophobicContact CD1-CD1 3.79Å
97	V	91.9	Very high	90.4	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-72.4	-35.9	176.1	-176.8	0	0	0	0	111.2	V43 L46 G93 A94 R95 D99 V100 A101 T116	V43-V97 HydrophobicContact CB-CG2 4.09Å; V43-V97 HydrophobicContact CG1-CG2 3.82Å; V43-V97 HydrophobicContact CG2-CG2 3.73Å; L46-V97 HydrophobicContact CD2-CB 4.13Å; L46-V97 HydrophobicContact CD2-CG1 3.64Å; G93-V97 PolarHBondContact O-N 2.81Å; A94-V97 PolarHBondContact O-N 3.4Å; R95-V97 PolarHBondContact O-N 3.23Å; V97-D99 VanDerWaalsContact C-N 3.25Å; V97-D99 PolarHBondContact O-N 2.95Å; V97-V100 VanDerWaalsContact O-CB 3.32Å; V97-V100 WeakPolarHBondContact O-CB 3.33Å; V97-V100 PolarHBondContact O-N 3.24Å; V97-V100 VanDerWaalsContact O-N 3.1Å; V97-A101 PolarHBondContact O-N 2.77Å; V97-A101 VanDerWaalsContact O-N 3.13Å; V97-T116 HydrophobicContact CG1-CG2 3.56Å
98	Q	92.2	Very high	90.1	Very high	17 Å²	17	43.4 Å²	43.4	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-58	-40.5	172.2	-172.3	-168.3	2.9	0	0	111.2	L46 A80 K81 A94 R95 V100 A101 N102	L46-Q98 HydrophobicContact CD1-CB 4.25Å; A80-Q98 HydrophobicContact CB-CG 4.38Å; K81-Q98 VanDerWaalsContact CA-NE2 3.32Å; K81-Q98 HydrophobicContact CG-CG 4.47Å; A94-Q98 WeakPolarHBondContact O-CB 3.47Å; A94-Q98 PolarHBondContact O-N 3.49Å; R95-Q98 WeakPolarHBondContact O-CB 3.35Å; R95-Q98 PolarHBondContact O-N 3.21Å; Q98-V100 VanDerWaalsContact C-N 3.31Å; Q98-V100 PolarHBondContact O-N 3.3Å; Q98-A101 PolarHBondContact O-N 2.87Å; Q98-N102 WeakPolarHBondContact O-CB 3.36Å; Q98-N102 PolarHBondContact O-N 3.3Å; Q98-N102 PolarHBondContact O-ND2 2.81Å
99	D	91.5	Very high	89.7	Confident	72 Å²	72	38.7 Å²	38.7	39%	0.385	19%	0.189	S	C	.	.	H	α-helix	trans	-64	-33.5	175.7	-74.3	-13.9	0	0	0	112.7	R95 L96 V97 K103	R95-D99 PolarHBondContact O-N 3.12Å; L96-D99 PolarHBondContact O-N 3Å; V97-D99 VanDerWaalsContact C-N 3.25Å; V97-D99 PolarHBondContact O-N 2.95Å; D99-K103 WeakPolarHBondContact O-CB 3.3Å; D99-K103 WeakPolarHBondContact O-CG 3.33Å; D99-K103 PolarHBondContact O-N 3.49Å
100	V	91.4	Very high	89.6	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-52.6	171.7	176.2	0	0	0	0	109.9	L96 V97 Q98 N102 K103 T104 A115 A119 D546 A547 V550	L96-V100 PolarHBondContact O-N 2.77Å; V97-V100 VanDerWaalsContact O-CB 3.32Å; V97-V100 WeakPolarHBondContact O-CB 3.33Å; V97-V100 PolarHBondContact O-N 3.24Å; V97-V100 VanDerWaalsContact O-N 3.1Å; Q98-V100 VanDerWaalsContact C-N 3.31Å; Q98-V100 PolarHBondContact O-N 3.3Å; V100-N102 VanDerWaalsContact C-N 3.29Å; V100-N102 PolarHBondContact O-N 3.4Å; V100-K103 PolarHBondContact O-N 2.84Å; V100-T104 PolarHBondContact O-N 2.89Å; V100-T104 PolarHBondContact O-OG1 3.06Å; V100-T104 VanDerWaalsContact O-OG1 3.14Å; V100-A115 HydrophobicContact CG1-CB 3.73Å; V100-A119 HydrophobicContact CG1-CB 4.45Å; V100-A119 HydrophobicContact CG2-CB 4.41Å; V100-D546 HydrophobicContact CG1-CB 4.12Å; V100-A547 HydrophobicContact CG1-CB 4.3Å; V100-V550 HydrophobicContact CG2-CB 3.4Å; V100-V550 VanDerWaalsContact CG2-CB 3.4Å; V100-V550 HydrophobicContact CG2-CG1 3.79Å; V100-V550 HydrophobicContact CG2-CG2 3.49Å; V100-V550 VanDerWaalsContact CG2-CG2 3.49Å
101	A	91.2	Very high	89.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-39.7	-179.4	0	0	0	0	0	111.9	V77 A80 V97 Q98 N105	V77-A101 HydrophobicContact CB-CB 4.34Å; V77-A101 HydrophobicContact CG2-CB 4.17Å; A80-A101 HydrophobicContact CB-CB 4.15Å; V97-A101 PolarHBondContact O-N 2.77Å; V97-A101 VanDerWaalsContact O-N 3.13Å; Q98-A101 PolarHBondContact O-N 2.87Å; A101-N105 WeakPolarHBondContact O-CB 3.4Å; A101-N105 PolarHBondContact O-N 2.85Å
102	N	90.8	Very high	89.4	Confident	27 Å²	27	36.9 Å²	36.9	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-49.1	177	-70.4	-24.8	0	0	0	112.3	V77 K81 Q98 V100 N105 E106	V77-N102 WeakPolarHBondContact CG2-OD1 3.4Å; K81-N102 WeakPolarHBondContact CE-OD1 3.14Å; Q98-N102 WeakPolarHBondContact O-CB 3.36Å; Q98-N102 PolarHBondContact O-N 3.3Å; Q98-N102 PolarHBondContact O-ND2 2.81Å; V100-N102 VanDerWaalsContact C-N 3.29Å; V100-N102 PolarHBondContact O-N 3.4Å; N102-N105 WeakPolarHBondContact O-CB 3.24Å; N102-N105 PolarHBondContact O-N 3.37Å; N102-E106 WeakPolarHBondContact O-CG 3.16Å; N102-E106 PolarHBondContact O-N 3.04Å
103	K	89.8	Confident	89.4	Confident	99 Å²	99	35.3 Å²	35.3	43%	0.43	17%	0.174	S	C	.	.	H	α-helix	trans	-64.4	-41.9	-179.2	-76.3	177.5	179.4	177.9	0	112.4	D99 V100 N105 E106 Q107	D99-K103 WeakPolarHBondContact O-CB 3.3Å; D99-K103 WeakPolarHBondContact O-CG 3.33Å; D99-K103 PolarHBondContact O-N 3.49Å; V100-K103 PolarHBondContact O-N 2.84Å; K103-N105 VanDerWaalsContact C-N 3.3Å; K103-N105 PolarHBondContact O-N 3.29Å; K103-E106 PolarHBondContact O-N 2.74Å; K103-Q107 WeakPolarHBondContact O-CG 2.9Å; K103-Q107 PolarHBondContact O-N 3.5Å
104	T	89.8	Confident	89.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-40	176.1	-59.7	0	0	0	0	110.8	V100 Q107 A108 G109 A115 T542 A543 D546	V100-T104 PolarHBondContact O-N 2.89Å; V100-T104 PolarHBondContact O-OG1 3.06Å; V100-T104 VanDerWaalsContact O-OG1 3.14Å; T104-Q107 PolarHBondContact O-N 3.14Å; T104-A108 PolarHBondContact O-N 3.09Å; T104-G109 PolarHBondContact O-N 3.31Å; T104-A115 HydrophobicContact CG2-CB 4.17Å; T104-T542 HydrophobicContact CG2-CG2 4.16Å; T104-A543 HydrophobicContact CG2-CB 4.25Å; T104-D546 WeakPolarHBondContact CA-OD2 3.33Å; T104-D546 PolarHBondContact N-OD2 2.69Å; T104-D546 PolarHBondContact OG1-OD2 3.44Å
105	N	89.2	Confident	89.6	Confident	46 Å²	46	36.5 Å²	36.5	25%	0.246	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-40.4	174.3	-170.6	68.3	0	0	0	112.8	V77 A101 N102 K103 G109 T112	V77-N105 HydrophobicContact CB-CB 4.4Å; V77-N105 HydrophobicContact CG1-CB 4.15Å; V77-N105 HydrophobicContact CG2-CB 4.37Å; A101-N105 WeakPolarHBondContact O-CB 3.4Å; A101-N105 PolarHBondContact O-N 2.85Å; N102-N105 WeakPolarHBondContact O-CB 3.24Å; N102-N105 PolarHBondContact O-N 3.37Å; K103-N105 VanDerWaalsContact C-N 3.3Å; K103-N105 PolarHBondContact O-N 3.29Å; N105-G109 WeakPolarHBondContact O-CA 3.01Å; N105-G109 PolarHBondContact O-N 2.91Å; N105-T112 HydrophobicContact CB-CG2 3.72Å
106	E	85.5	Confident	89.7	Confident	159 Å²	159	32.6 Å²	32.6	74%	0.743	17%	0.167	S	C	*	.	H	α-helix	trans	-67.5	-36.9	178.3	-73.8	173.6	-176.7	0	0	112.5	N102 K103	N102-E106 WeakPolarHBondContact O-CG 3.16Å; N102-E106 PolarHBondContact O-N 3.04Å; K103-E106 PolarHBondContact O-N 2.74Å
107	Q	84.7	Confident	89.9	Confident	94 Å²	94	29.9 Å²	29.9	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-86.5	-39.1	-176	-71.2	-177	23.7	0	0	114.3	K103 T104 K538 T542	K103-Q107 WeakPolarHBondContact O-CG 2.9Å; K103-Q107 PolarHBondContact O-N 3.5Å; T104-Q107 PolarHBondContact O-N 3.14Å; Q107-K538 WeakPolarHBondContact O-CE 3.49Å; Q107-K538 PolarHBondContact O-NZ 2.83Å; Q107-T542 HydrophobicContact CB-CG2 3.84Å
108	A	83.1	Confident	90	Very high	8 Å²	8	29.6 Å²	29.6	7%	0.066	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-27.8	-173.7	0	0	0	0	0	113	T104 D110 V539 T542	T104-A108 PolarHBondContact O-N 3.09Å; A108-D110 PolarHBondContact O-N 3.17Å; A108-V539 HydrophobicContact CB-CG2 4Å; A108-T542 HydrophobicContact CB-CG2 4.39Å
109	G	80.9	Confident	90.1	Very high	4 Å²	4	29 Å²	29	4%	0.041	15%	0.149	C	C	.	.	S	Bend	trans	69.4	9.9	-179.7	0	0	0	0	0	115.4	T104 N105 N440	T104-G109 PolarHBondContact O-N 3.31Å; N105-G109 WeakPolarHBondContact O-CA 3.01Å; N105-G109 PolarHBondContact O-N 2.91Å; G109-N440 PolarHBondContact O-ND2 3.27Å
110	D	86.2	Confident	90.3	Very high	37 Å²	37	27.1 Å²	27.1	20%	0.198	14%	0.137	C	C	.	.	S	Bend	trans	-151.8	170	172.3	-168.3	3.5	0	0	0	108.2	A108 S174 A441 V539	A108-D110 PolarHBondContact O-N 3.17Å; D110-S174 PolarHBondContact OD2-OG 2.72Å; D110-A441 HydrophobicContact CB-CB 4.3Å; D110-V539 HydrophobicContact CB-CG1 4.28Å; D110-V539 HydrophobicContact CB-CG2 4.04Å
111	G	87.2	Confident	90.4	Very high	9 Å²	9	27.6 Å²	27.6	9%	0.093	14%	0.141	C	C	.	.			trans	81.5	12.3	176.7	0	0	0	0	0	114.8	T113 C114 A115	G111-T113 PolarHBondContact O-N 3.32Å; G111-C114 WeakPolarHBondContact O-CA 3.02Å; G111-C114 WeakPolarHBondContact O-CB 3.34Å; G111-C114 PolarHBondContact O-N 2.79Å; G111-C114 VanDerWaalsContact O-N 3.08Å; G111-A115 PolarHBondContact O-N 3.33Å
112	T	91.7	Very high	90.5	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-58.4	-45.8	-178.8	59.2	0	0	0	0	111.6	D75 V77 N105 C114 A115 T116	D75-T112 PolarHBondContact OD1-OG1 2.96Å; V77-T112 HydrophobicContact CB-CG2 3.91Å; V77-T112 HydrophobicContact CG1-CG2 4.19Å; V77-T112 PolarHBondContact N-OG1 3.18Å; N105-T112 HydrophobicContact CB-CG2 3.72Å; T112-C114 VanDerWaalsContact C-N 3.33Å; T112-C114 PolarHBondContact O-N 3.19Å; T112-A115 PolarHBondContact O-N 2.71Å; T112-T116 PolarHBondContact O-N 2.98Å; T112-T116 PolarHBondContact O-OG1 3.49Å
113	T	92.8	Very high	90.6	Very high	18 Å²	18	26.6 Å²	26.6	11%	0.11	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-37.9	175.5	-46.1	0	0	0	0	111.8	V50 T53 M54 G76 G111 T116 V117	V50-T113 HydrophobicContact CG1-CG2 3.72Å; V50-T113 WeakPolarHBondContact O-CG2 3.28Å; T53-T113 WeakPolarHBondContact OG1-CG2 3.33Å; T53-T113 PolarHBondContact OG1-OG1 2.77Å; M54-T113 HydrophobicContact CB-CG2 3.74Å; M54-T113 VanDerWaalsContact CE-C 3.48Å; M54-T113 HydrophobicContact CE-CG2 3.87Å; M54-T113 VanDerWaalsContact CE-O 3.26Å; M54-T113 WeakPolarHBondContact CE-O 3.16Å; M54-T113 HydrophobicContact CG-CG2 4.4Å; G76-T113 WeakPolarHBondContact CA-OG1 3.34Å; G111-T113 PolarHBondContact O-N 3.32Å; T113-T116 PolarHBondContact O-N 3.24Å; T113-V117 WeakPolarHBondContact O-CG2 3.42Å; T113-V117 PolarHBondContact O-N 2.97Å; T113-V117 VanDerWaalsContact O-N 3.08Å
114	C	93.9	Very high	90.7	Very high	26 Å²	26	28.5 Å²	28.5	18%	0.176	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-48.3	177	-170.2	0	0	0	0	111.4	M54 G111 T112 T116 V117 L118 A543	M54-C114 VanDerWaalsContact CE-CA 3.46Å; M54-C114 HydrophobicContact CE-CB 4.27Å; G111-C114 WeakPolarHBondContact O-CA 3.02Å; G111-C114 WeakPolarHBondContact O-CB 3.34Å; G111-C114 PolarHBondContact O-N 2.79Å; G111-C114 VanDerWaalsContact O-N 3.08Å; T112-C114 VanDerWaalsContact C-N 3.33Å; T112-C114 PolarHBondContact O-N 3.19Å; C114-T116 VanDerWaalsContact C-N 3.27Å; C114-T116 PolarHBondContact O-N 3.05Å; C114-V117 PolarHBondContact O-N 3.31Å; C114-L118 WeakPolarHBondContact O-CB 3.2Å; C114-L118 WeakPolarHBondContact O-CG 3.47Å; C114-L118 PolarHBondContact O-N 2.91Å; C114-A543 HydrophobicContact CB-CB 4.44Å
115	A	94.6	Very high	90.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.8	-40.8	176.7	0	0	0	0	0	111.7	V100 T104 G111 T112 L118 A119 A543 A547	V100-A115 HydrophobicContact CG1-CB 3.73Å; T104-A115 HydrophobicContact CG2-CB 4.17Å; G111-A115 PolarHBondContact O-N 3.33Å; T112-A115 PolarHBondContact O-N 2.71Å; A115-L118 PolarHBondContact O-N 2.86Å; A115-A119 VanDerWaalsContact O-CB 3.26Å; A115-A119 WeakPolarHBondContact O-CB 3.48Å; A115-A119 PolarHBondContact O-N 3.37Å; A115-A543 HydrophobicContact CB-CB 3.85Å; A115-A547 WeakPolarHBondContact O-CB 3.31Å
116	T	94.7	Very high	90.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-46.2	178.7	-47.9	0	0	0	0	112.1	L46 A47 V50 V97 T112 T113 C114 A119 R120	L46-T116 HydrophobicContact CD2-CG2 3.72Å; A47-T116 HydrophobicContact CB-CG2 4.14Å; V50-T116 HydrophobicContact CB-CG2 4.01Å; V50-T116 HydrophobicContact CG1-CG2 3.94Å; V50-T116 HydrophobicContact CG2-CG2 4.31Å; V97-T116 HydrophobicContact CG1-CG2 3.56Å; T112-T116 PolarHBondContact O-N 2.98Å; T112-T116 PolarHBondContact O-OG1 3.49Å; T113-T116 PolarHBondContact O-N 3.24Å; C114-T116 VanDerWaalsContact C-N 3.27Å; C114-T116 PolarHBondContact O-N 3.05Å; T116-A119 PolarHBondContact O-N 2.58Å; T116-R120 PolarHBondContact O-N 3.39Å
117	V	94.7	Very high	91.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.8	-40.9	178.5	169.3	0	0	0	0	111.6	A51 M54 T113 C114 A121 Q488 T492	A51-V117 HydrophobicContact CB-CG2 3.82Å; M54-V117 HydrophobicContact CE-CB 3.79Å; M54-V117 HydrophobicContact CE-CG1 4.41Å; M54-V117 HydrophobicContact CE-CG2 3.45Å; M54-V117 VanDerWaalsContact CE-CG2 3.45Å; M54-V117 HydrophobicContact SD-CG2 4.38Å; T113-V117 WeakPolarHBondContact O-CG2 3.42Å; T113-V117 PolarHBondContact O-N 2.97Å; T113-V117 VanDerWaalsContact O-N 3.08Å; C114-V117 PolarHBondContact O-N 3.31Å; V117-A121 WeakPolarHBondContact O-CB 3.46Å; V117-A121 PolarHBondContact O-N 3.3Å; V117-A121 VanDerWaalsContact O-N 3.1Å; V117-Q488 HydrophobicContact CG1-CB 3.87Å; V117-T492 HydrophobicContact CG2-CG2 4.38Å
118	L	95	Very high	91.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63	-43.3	174.5	-72.2	170.7	0	0	0	111.2	C114 A115 R120 A121 I122 L458 A485 P489 L544 A547	C114-L118 WeakPolarHBondContact O-CB 3.2Å; C114-L118 WeakPolarHBondContact O-CG 3.47Å; C114-L118 PolarHBondContact O-N 2.91Å; A115-L118 PolarHBondContact O-N 2.86Å; L118-R120 PolarHBondContact O-N 3.1Å; L118-A121 PolarHBondContact O-N 3.2Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.31Å; L118-I122 PolarHBondContact O-N 3.18Å; L118-L458 HydrophobicContact CD1-CD1 4.48Å; L118-A485 WeakPolarHBondContact CD2-O 3.24Å; L118-P489 HydrophobicContact CD2-CG 3.73Å; L118-P489 HydrophobicContact CG-CG 4Å; L118-L544 HydrophobicContact CD1-CB 4.34Å; L118-L544 HydrophobicContact CD1-CD1 4.2Å; L118-L544 HydrophobicContact CD2-CD1 4.46Å; L118-A547 HydrophobicContact CB-CB 3.69Å
119	A	94.4	Very high	91.6	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-62.1	-44.8	179.6	0	0	0	0	0	111.4	V100 A115 T116 A121 I122 A123 A547 A551	V100-A119 HydrophobicContact CG1-CB 4.45Å; V100-A119 HydrophobicContact CG2-CB 4.41Å; A115-A119 VanDerWaalsContact O-CB 3.26Å; A115-A119 WeakPolarHBondContact O-CB 3.48Å; A115-A119 PolarHBondContact O-N 3.37Å; T116-A119 PolarHBondContact O-N 2.58Å; A119-A121 VanDerWaalsContact C-N 3.35Å; A119-A121 PolarHBondContact O-N 2.81Å; A119-I122 PolarHBondContact O-N 2.97Å; A119-A123 VanDerWaalsContact O-CB 3.23Å; A119-A123 WeakPolarHBondContact O-CB 3.32Å; A119-A123 PolarHBondContact O-N 3.36Å; A119-A547 HydrophobicContact CB-CB 3.98Å; A119-A551 WeakPolarHBondContact O-CB 3.32Å
120	R	94.1	Very high	91.9	Very high	33 Å²	33	21.2 Å²	21.2	13%	0.125	11%	0.106	C	C	.	.	H	α-helix	trans	-56.7	-48.5	173.5	179.4	-174.5	58	-165	-2.4	111.4	V43 D44 A47 D48 T116 L118 I122 A123 R124	V43-R120 HydrophobicContact CG1-CB 4.28Å; V43-R120 HydrophobicContact CG1-CG 4.38Å; D44-R120 VanDerWaalsContact OD1-CD 3.3Å; D44-R120 WeakPolarHBondContact OD1-CD 3.28Å; D44-R120 VanDerWaalsContact OD1-CG 3.32Å; D44-R120 WeakPolarHBondContact OD1-CG 3.4Å; A47-R120 HydrophobicContact CB-CB 3.75Å; A47-R120 HydrophobicContact CB-CG 4.04Å; D48-R120 IonicContact OD1-CZ 2.74Å; D48-R120 IonicContact OD1-NH1 2.67Å; D48-R120 PolarHBondContact OD1-NH1 2.96Å; T116-R120 PolarHBondContact O-N 3.39Å; L118-R120 PolarHBondContact O-N 3.1Å; R120-I122 PolarHBondContact O-N 3.39Å; R120-A123 PolarHBondContact O-N 2.99Å; R120-R124 WeakPolarHBondContact O-CB 3.45Å; R120-R124 PolarHBondContact O-N 3.24Å
121	A	94	Very high	91.9	Very high	12 Å²	12	23.6 Å²	23.6	10%	0.099	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-45.6	-176.7	0	0	0	0	0	112.6	V117 L118 A119 E125 A485 Q488	V117-A121 WeakPolarHBondContact O-CB 3.46Å; V117-A121 PolarHBondContact O-N 3.3Å; V117-A121 VanDerWaalsContact O-N 3.1Å; L118-A121 PolarHBondContact O-N 3.2Å; A119-A121 VanDerWaalsContact C-N 3.35Å; A119-A121 PolarHBondContact O-N 2.81Å; A121-E125 WeakPolarHBondContact O-CB 3.46Å; A121-E125 PolarHBondContact O-N 2.77Å; A121-E125 VanDerWaalsContact O-N 3.12Å; A121-A485 HydrophobicContact CB-CB 3.85Å; A121-Q488 HydrophobicContact CB-CB 4.28Å; A121-Q488 HydrophobicContact CB-CG 3.63Å
122	I	93.9	Very high	91.9	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-40.9	178.3	-63.8	170	0	0	0	110.4	L118 A119 R120 G126 V143 I481 A485 A548 A551	L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.31Å; L118-I122 PolarHBondContact O-N 3.18Å; A119-I122 PolarHBondContact O-N 2.97Å; R120-I122 PolarHBondContact O-N 3.39Å; I122-G126 WeakPolarHBondContact O-CA 3.5Å; I122-G126 PolarHBondContact O-N 3.34Å; I122-V143 HydrophobicContact CG2-CG1 4.49Å; I122-I481 HydrophobicContact CB-CG2 4.3Å; I122-I481 HydrophobicContact CG1-CG2 4.44Å; I122-I481 HydrophobicContact CG2-CG2 3.98Å; I122-A485 HydrophobicContact CD1-CB 4.33Å; I122-A485 HydrophobicContact CG1-CB 3.53Å; I122-A548 HydrophobicContact CD1-CB 3.88Å; I122-A551 HydrophobicContact CB-CB 3.72Å; I122-A551 HydrophobicContact CG2-CB 3.57Å
123	A	92.4	Very high	91.6	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-48.2	179.2	0	0	0	0	0	112	V43 A119 R120 G126 F127 A551 L554	V43-A123 HydrophobicContact CG1-CB 4.46Å; A119-A123 VanDerWaalsContact O-CB 3.23Å; A119-A123 WeakPolarHBondContact O-CB 3.32Å; A119-A123 PolarHBondContact O-N 3.36Å; R120-A123 PolarHBondContact O-N 2.99Å; A123-G126 PolarHBondContact O-N 3.23Å; A123-F127 VanDerWaalsContact O-CD2 3.26Å; A123-F127 WeakPolarHBondContact O-CD2 3.26Å; A123-F127 VanDerWaalsContact O-CG 3.3Å; A123-F127 WeakPolarHBondContact O-CG 3.27Å; A123-F127 PolarHBondContact O-N 2.86Å; A123-A551 HydrophobicContact CB-CB 4.27Å; A123-L554 HydrophobicContact CB-CD2 4.03Å
124	R	92.4	Very high	91.4	Very high	138 Å²	138	32.6 Å²	32.6	52%	0.521	18%	0.181	S	C	.	.	H	α-helix	trans	-61.4	-53.2	179.9	-176.8	173.1	176.3	170.4	0.9	111.9	L40 R120 G126 F127 D128	L40-R124 HydrophobicContact CD1-CB 4.15Å; L40-R124 HydrophobicContact CD2-CG 4.48Å; R120-R124 WeakPolarHBondContact O-CB 3.45Å; R120-R124 PolarHBondContact O-N 3.24Å; R124-G126 VanDerWaalsContact C-N 3.28Å; R124-G126 PolarHBondContact O-N 2.94Å; R124-F127 PolarHBondContact O-N 3.48Å; R124-D128 PolarHBondContact O-N 3.07Å
125	E	91.6	Very high	91.2	Very high	46 Å²	46	34.6 Å²	34.6	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-31.8	178.7	-71.8	-75	170.6	0	0	111.8	A121 N129 I481 K484	A121-E125 WeakPolarHBondContact O-CB 3.46Å; A121-E125 PolarHBondContact O-N 2.77Å; A121-E125 VanDerWaalsContact O-N 3.12Å; E125-N129 PolarHBondContact O-N 2.85Å; E125-N129 VanDerWaalsContact O-N 3.15Å; E125-N129 PolarHBondContact O-ND2 2.84Å; E125-I481 HydrophobicContact CB-CB 4.39Å; E125-I481 HydrophobicContact CB-CG1 3.99Å; E125-I481 HydrophobicContact CB-CG2 4.02Å; E125-K484 HydrophobicContact CG-CD 4.05Å; E125-K484 VanDerWaalsContact OE1-CD 3.24Å; E125-K484 WeakPolarHBondContact OE1-CD 3.35Å; E125-K484 IonicContact OE1-NZ 3.99Å; E125-K484 PolarHBondContact OE1-NZ 2.92Å; E125-K484 WeakPolarHBondContact OE2-CD 3.46Å; E125-K484 IonicContact OE2-NZ 2.69Å; E125-K484 PolarHBondContact OE2-NZ 3.23Å
126	G	90.8	Very high	91	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-51.6	171.7	0	0	0	0	0	112.1	I122 A123 R124 D128 N129 I130	I122-G126 WeakPolarHBondContact O-CA 3.5Å; I122-G126 PolarHBondContact O-N 3.34Å; A123-G126 PolarHBondContact O-N 3.23Å; R124-G126 VanDerWaalsContact C-N 3.28Å; R124-G126 PolarHBondContact O-N 2.94Å; G126-D128 PolarHBondContact O-N 3.1Å; G126-N129 PolarHBondContact O-N 2.85Å; G126-I130 WeakPolarHBondContact O-CD1 3.24Å; G126-I130 VanDerWaalsContact O-CG1 3.26Å; G126-I130 WeakPolarHBondContact O-CG1 3.2Å; G126-I130 PolarHBondContact O-N 3.38Å
127	F	90.1	Very high	90.9	Very high	12 Å²	12	40.5 Å²	40.5	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-38.1	178.8	-68.4	-35.6	0	0	0	113.1	R36 M39 L40 A123 R124 N129 I130 S131 L554	R36-F127 HydrophobicContact CB-CD1 4.09Å; R36-F127 HydrophobicContact CB-CE1 3.92Å; R36-F127 HydrophobicContact CB-CG 4.45Å; R36-F127 HydrophobicContact CB-CZ 4.15Å; R36-F127 VanDerWaalsContact CD-CD1 3.43Å; R36-F127 VanDerWaalsContact CD-CE1 3.5Å; R36-F127 HydrophobicContact CG-CD1 3.96Å; R36-F127 HydrophobicContact CG-CE1 3.59Å; R36-F127 HydrophobicContact CG-CZ 4.17Å; M39-F127 HydrophobicContact CE-CZ 4.46Å; L40-F127 HydrophobicContact CB-CD2 3.93Å; L40-F127 HydrophobicContact CB-CE2 3.9Å; L40-F127 HydrophobicContact CD1-CD2 3.97Å; L40-F127 HydrophobicContact CD1-CE2 4.23Å; L40-F127 HydrophobicContact CD2-CD2 4.1Å; L40-F127 HydrophobicContact CG-CD2 4.21Å; A123-F127 VanDerWaalsContact O-CD2 3.26Å; A123-F127 WeakPolarHBondContact O-CD2 3.26Å; A123-F127 VanDerWaalsContact O-CG 3.3Å; A123-F127 WeakPolarHBondContact O-CG 3.27Å; A123-F127 PolarHBondContact O-N 2.86Å; R124-F127 PolarHBondContact O-N 3.48Å; F127-N129 VanDerWaalsContact C-N 3.29Å; F127-N129 PolarHBondContact O-N 3.21Å; F127-I130 PolarHBondContact O-N 2.65Å; F127-S131 PolarHBondContact O-N 2.69Å; F127-S131 PolarHBondContact O-OG 3.04Å; F127-L554 HydrophobicContact CE1-CG 4.32Å; F127-L554 WeakPolarHBondContact CE1-O 3.23Å; F127-L554 HydrophobicContact CE2-CD2 4.17Å; F127-L554 HydrophobicContact CE2-CG 4.24Å; F127-L554 HydrophobicContact CZ-CD1 4.03Å; F127-L554 HydrophobicContact CZ-CD2 3.99Å; F127-L554 HydrophobicContact CZ-CG 3.57Å
128	D	89.5	Confident	90.7	Very high	67 Å²	67	41.6 Å²	41.6	36%	0.358	23%	0.227	S	C	.	.	H	α-helix	trans	-66.4	-28.5	176.4	-74.4	-17.6	0	0	0	113.1	R124 G126 S131 K132	R124-D128 PolarHBondContact O-N 3.07Å; G126-D128 PolarHBondContact O-N 3.1Å; D128-S131 PolarHBondContact O-OG 2.62Å; D128-K132 WeakPolarHBondContact O-CE 3.42Å; D128-K132 WeakPolarHBondContact O-CG 3.39Å
129	N	88.9	Confident	90.6	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.102	23%	0.227	C	C	.	.	H	α-helix	trans	-81.2	-33.7	173.7	-77	-64.8	0	0	0	112.2	E125 G126 F127 K132 A134 I139 I481	E125-N129 PolarHBondContact O-N 2.85Å; E125-N129 VanDerWaalsContact O-N 3.15Å; E125-N129 PolarHBondContact O-ND2 2.84Å; G126-N129 PolarHBondContact O-N 2.85Å; F127-N129 VanDerWaalsContact C-N 3.29Å; F127-N129 PolarHBondContact O-N 3.21Å; N129-K132 WeakPolarHBondContact O-CB 3.36Å; N129-K132 PolarHBondContact O-N 2.86Å; N129-A134 WeakPolarHBondContact O-CB 3.41Å; N129-A134 PolarHBondContact O-N 3.4Å; N129-I139 HydrophobicContact CB-CD1 4.03Å; N129-I481 WeakPolarHBondContact ND2-CG1 3.43Å
130	I	87.8	Confident	90.5	Very high	13 Å²	13	44.7 Å²	44.7	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-69.9	-37.3	177.5	-67	163.8	0	0	0	111.2	G126 F127 K132 G133 P136 I139 S555	G126-I130 WeakPolarHBondContact O-CD1 3.24Å; G126-I130 VanDerWaalsContact O-CG1 3.26Å; G126-I130 WeakPolarHBondContact O-CG1 3.2Å; G126-I130 PolarHBondContact O-N 3.38Å; F127-I130 PolarHBondContact O-N 2.65Å; I130-K132 PolarHBondContact O-N 3.11Å; I130-G133 PolarHBondContact O-N 2.58Å; I130-P136 HydrophobicContact CD1-CB 3.88Å; I130-P136 HydrophobicContact CD1-CG 3.94Å; I130-P136 HydrophobicContact CG1-CB 4.25Å; I130-P136 HydrophobicContact CG1-CG 3.97Å; I130-P136 HydrophobicContact CG2-CG 4.13Å; I130-I139 HydrophobicContact CG1-CD1 4.09Å; I130-S555 WeakPolarHBondContact CD1-O 3.46Å
131	S	85.1	Confident	90.4	Very high	87 Å²	87	50 Å²	50	61%	0.608	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23	174	64.2	0	0	0	0	112.9	F127 D128 G133	F127-S131 PolarHBondContact O-N 2.69Å; F127-S131 PolarHBondContact O-OG 3.04Å; D128-S131 PolarHBondContact O-OG 2.62Å; S131-G133 VanDerWaalsContact C-N 3.26Å; S131-G133 PolarHBondContact O-N 2.69Å
132	K	87.1	Confident	90.3	Very high	146 Å²	146	49.4 Å²	49.4	64%	0.635	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	7.1	172.6	-61.2	170.7	-172	169.4	0	113.8	D128 N129 I130	D128-K132 WeakPolarHBondContact O-CE 3.42Å; D128-K132 WeakPolarHBondContact O-CG 3.39Å; N129-K132 WeakPolarHBondContact O-CB 3.36Å; N129-K132 PolarHBondContact O-N 2.86Å; I130-K132 PolarHBondContact O-N 3.11Å
133	G	85.3	Confident	90.2	Very high	69 Å²	69	49.3 Å²	49.3	71%	0.711	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	17.9	177.5	0	0	0	0	0	115.1	I130 S131	I130-G133 PolarHBondContact O-N 2.58Å; S131-G133 VanDerWaalsContact C-N 3.26Å; S131-G133 PolarHBondContact O-N 2.69Å
134	A	88.2	Confident	90.3	Very high	6 Å²	6	52.4 Å²	52.4	5%	0.05	27%	0.268	C	S	.	.			trans	-71.4	149.5	173.9	0	0	0	0	0	111.9	N129 P136 I139 D474 R477	N129-A134 WeakPolarHBondContact O-CB 3.41Å; N129-A134 PolarHBondContact O-N 3.4Å; A134-P136 VanDerWaalsContact O-CD 3.28Å; A134-P136 WeakPolarHBondContact O-CD 3.46Å; A134-I139 HydrophobicContact CB-CD1 3.44Å; A134-I139 VanDerWaalsContact CB-CD1 3.44Å; A134-I139 HydrophobicContact CB-CG1 4.33Å; A134-D474 WeakPolarHBondContact CB-OD1 3.28Å; A134-R477 VanDerWaalsContact CB-NH1 3.3Å
135	N	90.8	Very high	90.2	Very high	68 Å²	68	48.7 Å²	48.7	36%	0.364	26%	0.257	S	S	.	.			trans	-75.2	116.5	174.9	-176.4	-10.1	0	0	0	111.2	I137 E138 I139 D474	N135-I137 PolarHBondContact O-N 3.33Å; N135-I137 PolarHBondContact OD1-N 2.93Å; N135-E138 HydrophobicContact CB-CB 4.28Å; N135-E138 HydrophobicContact CB-CG 4.44Å; N135-E138 PolarHBondContact O-N 2.97Å; N135-I139 WeakPolarHBondContact O-CG1 3.17Å; N135-I139 PolarHBondContact O-N 2.97Å; N135-D474 VanDerWaalsContact CB-OD2 3.31Å; N135-D474 WeakPolarHBondContact CB-OD2 3.41Å; N135-D474 PolarHBondContact N-OD2 3.26Å
136	P	90.2	Very high	90.3	Very high	26 Å²	26	46.5 Å²	46.5	17%	0.169	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-33.1	-178.8	-21.6	31.4	0	0	0	113.8	I130 A134 R140 T556	I130-P136 HydrophobicContact CD1-CB 3.88Å; I130-P136 HydrophobicContact CD1-CG 3.94Å; I130-P136 HydrophobicContact CG1-CB 4.25Å; I130-P136 HydrophobicContact CG1-CG 3.97Å; I130-P136 HydrophobicContact CG2-CG 4.13Å; A134-P136 VanDerWaalsContact O-CD 3.28Å; A134-P136 WeakPolarHBondContact O-CD 3.46Å; P136-R140 WeakPolarHBondContact O-CB 3.33Å; P136-R140 PolarHBondContact O-N 3.5Å; P136-T556 HydrophobicContact CB-CG2 4Å
137	I	91.9	Very high	90.4	Very high	97 Å²	97	46.6 Å²	46.6	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-71.3	-42.4	-176.8	-60.3	174.1	0	0	0	110.7	N135 R140 R141	N135-I137 PolarHBondContact O-N 3.33Å; N135-I137 PolarHBondContact OD1-N 2.93Å; I137-R140 WeakPolarHBondContact O-CB 3.32Å; I137-R140 PolarHBondContact O-N 3.46Å; I137-R141 PolarHBondContact O-N 2.87Å; I137-R141 VanDerWaalsContact O-N 3.09Å
138	E	91.7	Very high	90.6	Very high	23 Å²	23	49.9 Å²	49.9	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-70.9	-36	176.4	-72.6	-60.4	135.7	0	0	111.7	N135 R140 R141 G142 N472 D474 Q475	N135-E138 HydrophobicContact CB-CB 4.28Å; N135-E138 HydrophobicContact CB-CG 4.44Å; N135-E138 PolarHBondContact O-N 2.97Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 3.29Å; E138-R141 PolarHBondContact O-N 3.25Å; E138-R141 IonicContact OE1-CZ 2.76Å; E138-R141 IonicContact OE1-NE 2.62Å; E138-R141 IonicContact OE1-NH1 2.88Å; E138-R141 PolarHBondContact OE1-NH1 3.5Å; E138-G142 PolarHBondContact O-N 3.3Å; E138-N472 PolarHBondContact OE2-ND2 3.37Å; E138-D474 HydrophobicContact CB-CB 3.65Å; E138-Q475 PolarHBondContact OE2-NE2 3.25Å
139	I	91.6	Very high	90.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-57.3	-48.7	169.9	-73.5	169.2	0	0	0	110.3	N129 I130 A134 N135 R141 G142 V143 D474 I481	N129-I139 HydrophobicContact CB-CD1 4.03Å; I130-I139 HydrophobicContact CG1-CD1 4.09Å; A134-I139 HydrophobicContact CB-CD1 3.44Å; A134-I139 VanDerWaalsContact CB-CD1 3.44Å; A134-I139 HydrophobicContact CB-CG1 4.33Å; N135-I139 WeakPolarHBondContact O-CG1 3.17Å; N135-I139 PolarHBondContact O-N 2.97Å; I139-R141 VanDerWaalsContact C-N 3.31Å; I139-R141 PolarHBondContact O-N 3.48Å; I139-G142 PolarHBondContact O-N 3.32Å; I139-G142 VanDerWaalsContact O-N 3.1Å; I139-V143 HydrophobicContact CG2-CG2 4.19Å; I139-V143 WeakPolarHBondContact O-CG2 3.4Å; I139-V143 PolarHBondContact O-N 3.1Å; I139-D474 HydrophobicContact CG1-CB 4.42Å; I139-I481 HydrophobicContact CG2-CD1 3.53Å
140	R	92.4	Very high	90.9	Very high	66 Å²	66	46.9 Å²	46.9	25%	0.249	25%	0.251	C	S	.	.	H	α-helix	trans	-56.1	-45.1	177.7	173.9	-179.6	179.1	83	3.4	111.4	P136 I137 E138 G142 V143 M144 G549 S552 L553 T556	P136-R140 WeakPolarHBondContact O-CB 3.33Å; P136-R140 PolarHBondContact O-N 3.5Å; I137-R140 WeakPolarHBondContact O-CB 3.32Å; I137-R140 PolarHBondContact O-N 3.46Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 3.29Å; R140-G142 VanDerWaalsContact C-N 3.34Å; R140-G142 PolarHBondContact O-N 3.44Å; R140-V143 PolarHBondContact O-N 3.34Å; R140-M144 HydrophobicContact CG-CG 4.45Å; R140-M144 VanDerWaalsContact O-CG 3.31Å; R140-M144 WeakPolarHBondContact O-CG 2.82Å; R140-M144 PolarHBondContact O-N 2.95Å; R140-G549 PolarHBondContact NH1-O 3.28Å; R140-S552 PolarHBondContact NH1-O 3.34Å; R140-S552 PolarHBondContact NH1-OG 3.31Å; R140-L553 VanDerWaalsContact CZ-CD2 3.49Å; R140-L553 VanDerWaalsContact NH1-CD2 3.31Å; R140-T556 HydrophobicContact CB-CG2 4.47Å
141	R	91.9	Very high	91.1	Very high	144 Å²	144	46.9 Å²	46.9	54%	0.543	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-44.6	175.6	-71.2	175.6	176.9	177.4	-6.1	111.8	I137 E138 I139 M144 M145	I137-R141 PolarHBondContact O-N 2.87Å; I137-R141 VanDerWaalsContact O-N 3.09Å; E138-R141 PolarHBondContact O-N 3.25Å; E138-R141 IonicContact OE1-CZ 2.76Å; E138-R141 IonicContact OE1-NE 2.62Å; E138-R141 IonicContact OE1-NH1 2.88Å; E138-R141 PolarHBondContact OE1-NH1 3.5Å; I139-R141 VanDerWaalsContact C-N 3.31Å; I139-R141 PolarHBondContact O-N 3.48Å; R141-M144 PolarHBondContact O-N 2.96Å; R141-M145 WeakPolarHBondContact O-CB 3.39Å; R141-M145 PolarHBondContact O-N 2.95Å
142	G	92.3	Very high	91.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-42.2	175.7	0	0	0	0	0	113.4	E138 I139 R140 A146	E138-G142 PolarHBondContact O-N 3.3Å; I139-G142 PolarHBondContact O-N 3.32Å; I139-G142 VanDerWaalsContact O-N 3.1Å; R140-G142 VanDerWaalsContact C-N 3.34Å; R140-G142 PolarHBondContact O-N 3.44Å; G142-A146 WeakPolarHBondContact O-CB 3.4Å; G142-A146 PolarHBondContact O-N 3.01Å
143	V	92.9	Very high	91.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-49.1	176.1	170.3	0	0	0	0	110.8	I122 I139 R140 M145 A146 V147 G478 I481 V482 A548	I122-V143 HydrophobicContact CG2-CG1 4.49Å; I139-V143 HydrophobicContact CG2-CG2 4.19Å; I139-V143 WeakPolarHBondContact O-CG2 3.4Å; I139-V143 PolarHBondContact O-N 3.1Å; R140-V143 PolarHBondContact O-N 3.34Å; V143-M145 PolarHBondContact O-N 2.63Å; V143-A146 PolarHBondContact O-N 3.13Å; V143-V147 HydrophobicContact CG1-CG2 4.45Å; V143-V147 VanDerWaalsContact O-CG2 3.31Å; V143-V147 WeakPolarHBondContact O-CG2 3.11Å; V143-V147 PolarHBondContact O-N 2.84Å; V143-G478 WeakPolarHBondContact CG2-O 3.4Å; V143-I481 HydrophobicContact CG2-CB 4.46Å; V143-I481 HydrophobicContact CG2-CG2 4.43Å; V143-V482 HydrophobicContact CB-CG2 4.18Å; V143-V482 HydrophobicContact CG1-CG2 3.78Å; V143-V482 HydrophobicContact CG2-CG2 4.22Å; V143-A548 HydrophobicContact CG1-CB 4.05Å
144	M	92.8	Very high	92	Very high	68 Å²	68	39.7 Å²	39.7	34%	0.335	19%	0.19	S	C	.	.	H	α-helix	trans	-63.1	-42.7	-179.4	-64.7	-61.7	-73.6	0	0	111.7	R140 R141 A146 V147 D148	R140-M144 HydrophobicContact CG-CG 4.45Å; R140-M144 VanDerWaalsContact O-CG 3.31Å; R140-M144 WeakPolarHBondContact O-CG 2.82Å; R140-M144 PolarHBondContact O-N 2.95Å; R141-M144 PolarHBondContact O-N 2.96Å; M144-A146 VanDerWaalsContact C-N 3.33Å; M144-A146 PolarHBondContact O-N 3.37Å; M144-V147 PolarHBondContact O-N 2.96Å; M144-D148 PolarHBondContact O-N 3.35Å
145	M	92	Very high	92.1	Very high	60 Å²	60	45.2 Å²	45.2	30%	0.296	21%	0.213	S	C	.	.	H	α-helix	trans	-61.1	-40.8	175.9	-177.2	177.7	64.3	0	0	112.4	R141 V143 C149 I479	R141-M145 WeakPolarHBondContact O-CB 3.39Å; R141-M145 PolarHBondContact O-N 2.95Å; V143-M145 PolarHBondContact O-N 2.63Å; M145-C149 WeakPolarHBondContact O-CB 3.39Å; M145-C149 PolarHBondContact O-N 3.22Å; M145-I479 HydrophobicContact CE-CD1 3.83Å; M145-I479 HydrophobicContact CE-CG1 4.3Å
146	A	93.1	Very high	92.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-42.9	175.4	0	0	0	0	0	111.7	G142 V143 M144 C149 V150 L465 I479 V482	G142-A146 WeakPolarHBondContact O-CB 3.4Å; G142-A146 PolarHBondContact O-N 3.01Å; V143-A146 PolarHBondContact O-N 3.13Å; M144-A146 VanDerWaalsContact C-N 3.33Å; M144-A146 PolarHBondContact O-N 3.37Å; A146-C149 WeakPolarHBondContact O-CB 3.44Å; A146-C149 PolarHBondContact O-N 3.26Å; A146-V150 VanDerWaalsContact O-CG2 3.24Å; A146-V150 WeakPolarHBondContact O-CG2 3.3Å; A146-V150 PolarHBondContact O-N 2.8Å; A146-L465 HydrophobicContact CB-CD2 3.73Å; A146-I479 HydrophobicContact CB-CG1 4.25Å; A146-I479 HydrophobicContact CB-CG2 4.47Å; A146-V482 HydrophobicContact CB-CB 3.93Å; A146-V482 HydrophobicContact CB-CG1 4.06Å; A146-V482 HydrophobicContact CB-CG2 3.92Å
147	V	93.6	Very high	92.1	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-45.9	177.6	171.7	0	0	0	0	111.3	V143 M144 C149 V150 V151 V482 L544 Q545 A548	V143-V147 HydrophobicContact CG1-CG2 4.45Å; V143-V147 VanDerWaalsContact O-CG2 3.31Å; V143-V147 WeakPolarHBondContact O-CG2 3.11Å; V143-V147 PolarHBondContact O-N 2.84Å; M144-V147 PolarHBondContact O-N 2.96Å; V147-C149 PolarHBondContact O-N 2.75Å; V147-V150 PolarHBondContact O-N 3.27Å; V147-V150 VanDerWaalsContact O-N 3.13Å; V147-V151 HydrophobicContact CG1-CG2 4.16Å; V147-V151 VanDerWaalsContact O-CG2 3.28Å; V147-V151 WeakPolarHBondContact O-CG2 3.43Å; V147-V151 PolarHBondContact O-N 2.9Å; V147-V482 HydrophobicContact CG2-CG2 4.35Å; V147-L544 HydrophobicContact CG1-CD2 4.28Å; V147-L544 HydrophobicContact CG1-CG 4.15Å; V147-L544 HydrophobicContact CG2-CD1 4.45Å; V147-L544 HydrophobicContact CG2-CD2 4.46Å; V147-L544 HydrophobicContact CG2-CG 4.21Å; V147-Q545 HydrophobicContact CG1-CG 3.9Å; V147-A548 HydrophobicContact CG2-CB 3.57Å
148	D	92.9	Very high	92	Very high	82 Å²	82	47.3 Å²	47.3	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-59.2	-37.7	178.1	-71.6	-22.9	0	0	0	112	M144 K152	M144-D148 PolarHBondContact O-N 3.35Å; D148-K152 WeakPolarHBondContact O-CG 3.27Å; D148-K152 PolarHBondContact O-N 3.07Å; D148-K152 VanDerWaalsContact O-N 3.14Å
149	C	92.8	Very high	91.9	Very high	22 Å²	22	50.7 Å²	50.7	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-47.7	174.7	-175	0	0	0	0	111.8	M145 A146 V147 V151 K152 T153 V464 L468	M145-C149 WeakPolarHBondContact O-CB 3.39Å; M145-C149 PolarHBondContact O-N 3.22Å; A146-C149 WeakPolarHBondContact O-CB 3.44Å; A146-C149 PolarHBondContact O-N 3.26Å; V147-C149 PolarHBondContact O-N 2.75Å; C149-V151 VanDerWaalsContact C-N 3.31Å; C149-V151 PolarHBondContact O-N 2.87Å; C149-K152 PolarHBondContact O-N 2.75Å; C149-T153 PolarHBondContact O-N 2.86Å; C149-T153 PolarHBondContact O-OG1 2.86Å; C149-V464 WeakPolarHBondContact SG-CG1 3.49Å; C149-L468 HydrophobicContact CB-CD1 3.86Å; C149-L468 HydrophobicContact CB-CD2 4.15Å; C149-L468 HydrophobicContact CB-CG 4.43Å
150	V	92.8	Very high	91.8	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-42.5	177.2	172.1	0	0	0	0	111	A146 V147 K152 T153 L154 L458 C461 L465 I486 L544	A146-V150 VanDerWaalsContact O-CG2 3.24Å; A146-V150 WeakPolarHBondContact O-CG2 3.3Å; A146-V150 PolarHBondContact O-N 2.8Å; V147-V150 PolarHBondContact O-N 3.27Å; V147-V150 VanDerWaalsContact O-N 3.13Å; V150-K152 VanDerWaalsContact C-N 3.35Å; V150-K152 PolarHBondContact O-N 2.71Å; V150-T153 PolarHBondContact O-N 3.48Å; V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.26Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.47Å; V150-L154 PolarHBondContact O-N 2.9Å; V150-L458 HydrophobicContact CG1-CD2 4.3Å; V150-C461 HydrophobicContact CB-CB 4.37Å; V150-C461 HydrophobicContact CG1-CB 3.87Å; V150-C461 HydrophobicContact CG2-CB 4.08Å; V150-L465 HydrophobicContact CG2-CD1 3.93Å; V150-L465 HydrophobicContact CG2-CD2 3.76Å; V150-L465 HydrophobicContact CG2-CG 3.92Å; V150-I486 HydrophobicContact CG1-CD1 4.36Å; V150-I486 HydrophobicContact CG2-CD1 3.74Å; V150-L544 HydrophobicContact CB-CD2 3.98Å; V150-L544 HydrophobicContact CG1-CD2 3.46Å; V150-L544 VanDerWaalsContact CG1-CD2 3.46Å
151	V	92.7	Very high	91.4	Very high	12 Å²	12	53.1 Å²	53.1	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-40.3	178.6	169.7	0	0	0	0	111.8	V147 C149 L154 K155 R541 Q545	V147-V151 HydrophobicContact CG1-CG2 4.16Å; V147-V151 VanDerWaalsContact O-CG2 3.28Å; V147-V151 WeakPolarHBondContact O-CG2 3.43Å; V147-V151 PolarHBondContact O-N 2.9Å; C149-V151 VanDerWaalsContact C-N 3.31Å; C149-V151 PolarHBondContact O-N 2.87Å; V151-L154 PolarHBondContact O-N 3.39Å; V151-K155 WeakPolarHBondContact O-CG 3.38Å; V151-K155 PolarHBondContact O-N 2.85Å; V151-K155 VanDerWaalsContact O-N 3.16Å; V151-R541 HydrophobicContact CB-CG 4.42Å; V151-R541 HydrophobicContact CG1-CG 3.7Å; V151-R541 HydrophobicContact CG2-CG 3.92Å; V151-Q545 HydrophobicContact CG2-CG 3.87Å
152	K	93	Very high	90.8	Very high	139 Å²	139	51.4 Å²	51.4	60%	0.604	27%	0.265	S	S	*	.	H	α-helix	trans	-62.5	-47.4	174.3	-72.3	173.1	-175.9	-179	0	111.2	D148 C149 V150 L154 K155 E156	D148-K152 WeakPolarHBondContact O-CG 3.27Å; D148-K152 PolarHBondContact O-N 3.07Å; D148-K152 VanDerWaalsContact O-N 3.14Å; C149-K152 PolarHBondContact O-N 2.75Å; V150-K152 VanDerWaalsContact C-N 3.35Å; V150-K152 PolarHBondContact O-N 2.71Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 3.01Å; K152-K155 WeakPolarHBondContact O-CB 3.48Å; K152-K155 PolarHBondContact O-N 2.65Å; K152-K155 VanDerWaalsContact O-N 3.15Å; K152-E156 WeakPolarHBondContact O-CG 3.35Å; K152-E156 PolarHBondContact O-N 3.06Å; K152-E156 VanDerWaalsContact O-N 3.07Å
153	T	90.8	Very high	90.4	Very high	11 Å²	11	53.9 Å²	53.9	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-38.9	177.9	-56.8	0	0	0	0	112.4	C149 V150 K155 E156 I157 V464	C149-T153 PolarHBondContact O-N 2.86Å; C149-T153 PolarHBondContact O-OG1 2.86Å; V150-T153 PolarHBondContact O-N 3.48Å; T153-K155 VanDerWaalsContact C-N 3.29Å; T153-K155 PolarHBondContact O-N 3.27Å; T153-E156 PolarHBondContact O-N 3.45Å; T153-E156 VanDerWaalsContact O-N 3.16Å; T153-I157 HydrophobicContact CG2-CD1 3.76Å; T153-I157 HydrophobicContact CG2-CG1 4.36Å; T153-I157 VanDerWaalsContact O-CG1 3.31Å; T153-I157 WeakPolarHBondContact O-CG1 3.23Å; T153-I157 PolarHBondContact O-N 3.28Å; T153-V464 HydrophobicContact CG2-CG2 3.73Å
154	L	91.5	Very high	90	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-39.3	174.9	-75.4	172.1	0	0	0	111.8	V150 V151 K152 E156 I157 S158 A457 L458 T537 I540	V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.26Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.47Å; V150-L154 PolarHBondContact O-N 2.9Å; V151-L154 PolarHBondContact O-N 3.39Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 3.01Å; L154-E156 VanDerWaalsContact C-N 3.35Å; L154-I157 PolarHBondContact O-N 3.46Å; L154-S158 WeakPolarHBondContact O-CB 3.47Å; L154-S158 PolarHBondContact O-N 2.78Å; L154-A457 HydrophobicContact CD2-CB 3.86Å; L154-L458 HydrophobicContact CD1-CD2 4.4Å; L154-T537 HydrophobicContact CB-CG2 4.43Å; L154-I540 HydrophobicContact CD1-CG2 3.79Å; L154-I540 HydrophobicContact CD2-CG2 4.33Å
155	K	90.8	Very high	89.7	Confident	122 Å²	122	60.1 Å²	60.1	53%	0.53	31%	0.313	S	S	.	.	H	α-helix	trans	-66.9	-34.9	174.8	-70.9	-176.2	177.3	-168	0	112.7	V151 K152 T153 S158	V151-K155 WeakPolarHBondContact O-CG 3.38Å; V151-K155 PolarHBondContact O-N 2.85Å; V151-K155 VanDerWaalsContact O-N 3.16Å; K152-K155 WeakPolarHBondContact O-CB 3.48Å; K152-K155 PolarHBondContact O-N 2.65Å; K152-K155 VanDerWaalsContact O-N 3.15Å; T153-K155 VanDerWaalsContact C-N 3.29Å; T153-K155 PolarHBondContact O-N 3.27Å; K155-S158 WeakPolarHBondContact O-CB 3.45Å; K155-S158 PolarHBondContact O-N 3.15Å
156	E	91.4	Very high	89.4	Confident	155 Å²	155	59.3 Å²	59.3	72%	0.724	31%	0.308	S	S	*	.	H	α-helix	trans	-70.5	-34.9	175.8	-69.3	169.2	-177.7	0	0	112.7	K152 T153 L154 S158	K152-E156 WeakPolarHBondContact O-CG 3.35Å; K152-E156 PolarHBondContact O-N 3.06Å; K152-E156 VanDerWaalsContact O-N 3.07Å; T153-E156 PolarHBondContact O-N 3.45Å; T153-E156 VanDerWaalsContact O-N 3.16Å; L154-E156 VanDerWaalsContact C-N 3.35Å; E156-S158 VanDerWaalsContact C-N 3.34Å
157	I	88.5	Confident	89.1	Confident	55 Å²	55	60.5 Å²	60.5	28%	0.282	31%	0.314	S	S	.	.	H	α-helix	trans	-78	-23.1	176.7	-62.5	167.5	0	0	0	111.3	T153 L154 K159 V451 R460	T153-I157 HydrophobicContact CG2-CD1 3.76Å; T153-I157 HydrophobicContact CG2-CG1 4.36Å; T153-I157 VanDerWaalsContact O-CG1 3.31Å; T153-I157 WeakPolarHBondContact O-CG1 3.23Å; T153-I157 PolarHBondContact O-N 3.28Å; L154-I157 PolarHBondContact O-N 3.46Å; I157-K159 PolarHBondContact O-N 3.06Å; I157-V451 HydrophobicContact CG2-CG1 4.29Å; I157-R460 HydrophobicContact CD1-CB 4.41Å
158	S	90.5	Very high	88.8	Confident	25 Å²	25	61.4 Å²	61.4	18%	0.175	32%	0.322	C	S	.	.			trans	-58.8	133.7	-176.5	-166.6	0	0	0	0	112.2	L154 K155 E156 E448 T537	L154-S158 WeakPolarHBondContact O-CB 3.47Å; L154-S158 PolarHBondContact O-N 2.78Å; K155-S158 WeakPolarHBondContact O-CB 3.45Å; K155-S158 PolarHBondContact O-N 3.15Å; E156-S158 VanDerWaalsContact C-N 3.34Å; S158-E448 PolarHBondContact OG-O 2.74Å; S158-T537 WeakPolarHBondContact CB-OG1 3.31Å; S158-T537 PolarHBondContact OG-OG1 3.01Å
159	K	89.7	Confident	88.6	Confident	94 Å²	94	60.3 Å²	60.3	41%	0.409	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-106.6	132.1	172.1	-66	-179.1	-179.6	178.5	0	109.7	I157 G449 I450 I529	I157-K159 PolarHBondContact O-N 3.06Å; K159-G449 CarbonylContact O-C 3.52Å; K159-G449 WeakPolarHBondContact O-CA 3.11Å; K159-I450 HydrophobicContact CB-CG1 4.26Å; K159-I450 PolarHBondContact N-O 3.4Å; K159-I450 WeakPolarHBondContact O-CG1 3.31Å; K159-I450 PolarHBondContact O-N 3.21Å; K159-I529 HydrophobicContact CD-CD1 4.28Å
160	P	89.5	Confident	88.4	Confident	101 Å²	101	59.2 Å²	59.2	66%	0.656	31%	0.307	S	S	*	.			trans	-68	138.5	175.7	28.5	-33.5	0	0	0	110.6	T162	P160-T162 PolarHBondContact O-N 2.96Å
161	V	84.9	Confident	88.3	Confident	19 Å²	19	59.2 Å²	59.2	12%	0.115	31%	0.307	C	S	.	.			trans	-76.8	121.1	177.3	-179.7	0	0	0	0	109.6	E166 I167 A445 I450	V161-E166 HydrophobicContact CG1-CB 3.89Å; V161-I167 HydrophobicContact CG1-CD1 4.36Å; V161-I167 HydrophobicContact CG1-CG1 3.56Å; V161-A445 HydrophobicContact CG2-CB 4.1Å; V161-A445 WeakPolarHBondContact CG2-O 3.32Å; V161-I450 HydrophobicContact CG2-CB 4.35Å; V161-I450 HydrophobicContact CG2-CD1 4.34Å; V161-I450 HydrophobicContact CG2-CG1 4.07Å; V161-I450 HydrophobicContact CG2-CG2 3.49Å; V161-I450 VanDerWaalsContact CG2-CG2 3.49Å
162	T	79.6	Confident	88.1	Confident	108 Å²	108	60.2 Å²	60.2	66%	0.663	31%	0.313	S	S	*	.			trans	-120.4	-29.5	-177	57.6	0	0	0	0	112.8	P160 E166	P160-T162 PolarHBondContact O-N 2.96Å; T162-E166 PolarHBondContact N-OE2 2.92Å
163	T	83.9	Confident	87.8	Confident	52 Å²	52	55.6 Å²	55.6	32%	0.319	30%	0.295	S	S	.	.	S	Bend	trans	-103.7	149	-174	67.2	0	0	0	0	111.9	E165 E166 I167	T163-E165 PolarHBondContact O-N 2.86Å; T163-E166 PolarHBondContact N-OE2 3.36Å; T163-E166 PolarHBondContact O-N 3.15Å; T163-E166 WeakPolarHBondContact OG1-CB 3.34Å; T163-E166 VanDerWaalsContact OG1-CD 3.23Å; T163-E166 WeakPolarHBondContact OG1-CG 3.13Å; T163-E166 PolarHBondContact OG1-N 2.59Å; T163-E166 PolarHBondContact OG1-OE2 3.26Å; T163-E166 VanDerWaalsContact OG1-OE2 3.14Å; T163-I167 PolarHBondContact O-N 2.78Å
164	P	83.2	Confident	87.6	Confident	58 Å²	58	55.7 Å²	55.7	38%	0.377	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-20.6	173.4	27.5	-34.6	0	0	0	113	A168 S186	P164-A168 PolarHBondContact O-N 3.41Å; P164-S186 PolarHBondContact O-OG 2.79Å
165	E	86.3	Confident	87.3	Confident	142 Å²	142	55.7 Å²	55.7	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-69.8	-44.7	175.6	-65.8	180	-176.4	0	0	111	T163 I167 A168 Q169	T163-E165 PolarHBondContact O-N 2.86Å; E165-I167 VanDerWaalsContact C-N 3.29Å; E165-I167 PolarHBondContact O-N 3.48Å; E165-A168 WeakPolarHBondContact O-CB 3.48Å; E165-A168 PolarHBondContact O-N 3.3Å; E165-A168 VanDerWaalsContact O-N 3.14Å; E165-Q169 VanDerWaalsContact O-CG 3.31Å; E165-Q169 WeakPolarHBondContact O-CG 2.99Å; E165-Q169 PolarHBondContact O-N 2.95Å
166	E	85.9	Confident	86.9	Confident	43 Å²	43	52.7 Å²	52.7	20%	0.201	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-41	172.7	-73.9	162.9	163	0	0	111.4	V161 T162 T163 A168 Q169 V170 I450	V161-E166 HydrophobicContact CG1-CB 3.89Å; T162-E166 PolarHBondContact N-OE2 2.92Å; T163-E166 PolarHBondContact N-OE2 3.36Å; T163-E166 PolarHBondContact O-N 3.15Å; T163-E166 WeakPolarHBondContact OG1-CB 3.34Å; T163-E166 VanDerWaalsContact OG1-CD 3.23Å; T163-E166 WeakPolarHBondContact OG1-CG 3.13Å; T163-E166 PolarHBondContact OG1-N 2.59Å; T163-E166 PolarHBondContact OG1-OE2 3.26Å; T163-E166 VanDerWaalsContact OG1-OE2 3.14Å; E166-A168 VanDerWaalsContact C-N 3.35Å; E166-A168 PolarHBondContact O-N 3.18Å; E166-Q169 WeakPolarHBondContact O-CB 3.32Å; E166-Q169 PolarHBondContact O-N 3.2Å; E166-V170 WeakPolarHBondContact O-CG2 3.38Å; E166-V170 PolarHBondContact O-N 2.88Å; E166-I450 HydrophobicContact CG-CD1 4.3Å
167	I	86.8	Confident	86.3	Confident	25 Å²	25	47.6 Å²	47.6	13%	0.128	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-44.8	175.3	-64.4	175.6	0	0	0	110.8	V161 T163 E165 Q169 V170 A171 L189 T442 I446	V161-I167 HydrophobicContact CG1-CD1 4.36Å; V161-I167 HydrophobicContact CG1-CG1 3.56Å; T163-I167 PolarHBondContact O-N 2.78Å; E165-I167 VanDerWaalsContact C-N 3.29Å; E165-I167 PolarHBondContact O-N 3.48Å; I167-Q169 VanDerWaalsContact C-N 3.31Å; I167-Q169 PolarHBondContact O-N 2.71Å; I167-V170 PolarHBondContact O-N 2.8Å; I167-A171 WeakPolarHBondContact O-CB 3.15Å; I167-A171 PolarHBondContact O-N 2.81Å; I167-L189 HydrophobicContact CG2-CD1 3.41Å; I167-L189 VanDerWaalsContact CG2-CD1 3.41Å; I167-T442 HydrophobicContact CG2-CG2 4.03Å; I167-I446 HydrophobicContact CD1-CD1 4.49Å
168	A	88.5	Confident	86.2	Confident	22 Å²	22	46.6 Å²	46.6	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-37	177.4	0	0	0	0	0	111.7	P164 E165 E166 A171 T172	P164-A168 PolarHBondContact O-N 3.41Å; E165-A168 WeakPolarHBondContact O-CB 3.48Å; E165-A168 PolarHBondContact O-N 3.3Å; E165-A168 VanDerWaalsContact O-N 3.14Å; E166-A168 VanDerWaalsContact C-N 3.35Å; E166-A168 PolarHBondContact O-N 3.18Å; A168-A171 PolarHBondContact O-N 3.08Å; A168-T172 VanDerWaalsContact O-CB 3.29Å; A168-T172 WeakPolarHBondContact O-CB 3.35Å; A168-T172 PolarHBondContact O-N 2.67Å; A168-T172 PolarHBondContact O-OG1 3.42Å
169	Q	88.1	Confident	85.9	Confident	59 Å²	59	49.6 Å²	49.6	28%	0.276	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-50.9	175.7	-73	171.1	-1.8	0	0	111.3	E165 E166 I167 A171 T172 I173 I534	E165-Q169 VanDerWaalsContact O-CG 3.31Å; E165-Q169 WeakPolarHBondContact O-CG 2.99Å; E165-Q169 PolarHBondContact O-N 2.95Å; E166-Q169 WeakPolarHBondContact O-CB 3.32Å; E166-Q169 PolarHBondContact O-N 3.2Å; I167-Q169 VanDerWaalsContact C-N 3.31Å; I167-Q169 PolarHBondContact O-N 2.71Å; Q169-A171 VanDerWaalsContact C-N 3.3Å; Q169-A171 PolarHBondContact O-N 2.74Å; Q169-T172 PolarHBondContact O-N 2.98Å; Q169-T172 VanDerWaalsContact O-N 3.14Å; Q169-I173 WeakPolarHBondContact O-CD1 3.49Å; Q169-I173 VanDerWaalsContact O-CG1 3.23Å; Q169-I173 WeakPolarHBondContact O-CG1 3.41Å; Q169-I173 PolarHBondContact O-N 3.45Å; Q169-I534 HydrophobicContact CB-CD1 3.86Å; Q169-I534 HydrophobicContact CB-CG1 4.28Å
170	V	88.8	Confident	85.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-54.5	-49	175.3	174.9	0	0	0	0	110.6	E166 I167 T172 I173 S174 A441 T442 A445 I450 I534 P536	E166-V170 WeakPolarHBondContact O-CG2 3.38Å; E166-V170 PolarHBondContact O-N 2.88Å; I167-V170 PolarHBondContact O-N 2.8Å; V170-T172 VanDerWaalsContact C-N 3.33Å; V170-T172 PolarHBondContact O-N 3.28Å; V170-I173 PolarHBondContact O-N 2.97Å; V170-S174 PolarHBondContact O-N 3.29Å; V170-S174 VanDerWaalsContact O-N 3.12Å; V170-A441 HydrophobicContact CG1-CB 4.11Å; V170-T442 HydrophobicContact CB-CG2 4.3Å; V170-T442 HydrophobicContact CG1-CG2 4.13Å; V170-A445 HydrophobicContact CG1-CB 4Å; V170-A445 HydrophobicContact CG2-CB 3.98Å; V170-I450 HydrophobicContact CG2-CG2 3.65Å; V170-I534 HydrophobicContact CG2-CD1 3.49Å; V170-I534 VanDerWaalsContact CG2-CD1 3.49Å; V170-I534 HydrophobicContact CG2-CG1 3.88Å; V170-P536 HydrophobicContact CG1-CG 3.94Å
171	A	89.6	Confident	85.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-41.2	179.4	0	0	0	0	0	112.5	I167 A168 Q169 A175 I185 A438 T442	I167-A171 WeakPolarHBondContact O-CB 3.15Å; I167-A171 PolarHBondContact O-N 2.81Å; A168-A171 PolarHBondContact O-N 3.08Å; Q169-A171 VanDerWaalsContact C-N 3.3Å; Q169-A171 PolarHBondContact O-N 2.74Å; A171-A175 WeakPolarHBondContact O-CB 3.42Å; A171-A175 PolarHBondContact O-N 3.41Å; A171-I185 HydrophobicContact CB-CB 4.14Å; A171-I185 HydrophobicContact CB-CD1 4.16Å; A171-I185 HydrophobicContact CB-CG2 4.17Å; A171-A438 HydrophobicContact CB-CB 4.5Å; A171-A438 WeakPolarHBondContact O-CB 3.41Å; A171-T442 HydrophobicContact CB-CG2 3.64Å
172	T	88.9	Confident	85.9	Confident	33 Å²	33	42.2 Å²	42.2	20%	0.202	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-41.6	-179.8	-60.1	0	0	0	0	111.3	A168 Q169 V170 A175 N176 G177	A168-T172 VanDerWaalsContact O-CB 3.29Å; A168-T172 WeakPolarHBondContact O-CB 3.35Å; A168-T172 PolarHBondContact O-N 2.67Å; A168-T172 PolarHBondContact O-OG1 3.42Å; Q169-T172 PolarHBondContact O-N 2.98Å; Q169-T172 VanDerWaalsContact O-N 3.14Å; V170-T172 VanDerWaalsContact C-N 3.33Å; V170-T172 PolarHBondContact O-N 3.28Å; T172-A175 CarbonylContact O-C 3.51Å; T172-A175 PolarHBondContact O-N 2.97Å; T172-N176 PolarHBondContact O-N 2.89Å; T172-G177 WeakPolarHBondContact O-CA 3.12Å; T172-G177 PolarHBondContact O-N 2.97Å
173	I	87.5	Confident	86.3	Confident	42 Å²	42	38.4 Å²	38.4	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-49.7	-179.4	-59.7	154.9	0	0	0	110.6	Q169 V170 A175 N176 G532 I534	Q169-I173 WeakPolarHBondContact O-CD1 3.49Å; Q169-I173 VanDerWaalsContact O-CG1 3.23Å; Q169-I173 WeakPolarHBondContact O-CG1 3.41Å; Q169-I173 PolarHBondContact O-N 3.45Å; V170-I173 PolarHBondContact O-N 2.97Å; I173-A175 PolarHBondContact O-N 3.19Å; I173-N176 WeakPolarHBondContact O-CA 3.43Å; I173-N176 PolarHBondContact O-N 2.96Å; I173-G532 WeakPolarHBondContact CD1-O 3.42Å; I173-G532 WeakPolarHBondContact CG1-O 3.39Å; I173-I534 HydrophobicContact CD1-CB 4.37Å; I173-I534 HydrophobicContact CD1-CG1 3.63Å; I173-I534 WeakPolarHBondContact CD1-O 3.49Å
174	S	85.4	Confident	86.6	Confident	14 Å²	14	37.7 Å²	37.7	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-29.5	178.6	-67.5	0	0	0	0	111.7	D110 V170 N176 A441	D110-S174 PolarHBondContact OD2-OG 2.72Å; V170-S174 PolarHBondContact O-N 3.29Å; V170-S174 VanDerWaalsContact O-N 3.12Å; S174-N176 PolarHBondContact O-N 2.94Å; S174-A441 WeakPolarHBondContact OG-CB 3.07Å
175	A	85	Confident	86.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	11.8	170.6	0	0	0	0	0	114.5	A171 T172 I173 D178 I181 A438	A171-A175 WeakPolarHBondContact O-CB 3.42Å; A171-A175 PolarHBondContact O-N 3.41Å; T172-A175 CarbonylContact O-C 3.51Å; T172-A175 PolarHBondContact O-N 2.97Å; I173-A175 PolarHBondContact O-N 3.19Å; A175-D178 HydrophobicContact CB-CB 4.04Å; A175-D178 WeakPolarHBondContact O-CB 3.42Å; A175-I181 HydrophobicContact CB-CB 3.93Å; A175-I181 HydrophobicContact CB-CD1 4.17Å; A175-I181 HydrophobicContact CB-CG2 3.75Å; A175-A438 HydrophobicContact CB-CB 4.14Å
176	N	82.7	Confident	86.9	Confident	60 Å²	60	28.4 Å²	28.4	32%	0.321	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	36.4	-179.9	-65.1	-69.1	0	0	0	115.5	K74 T172 I173 S174	K74-N176 WeakPolarHBondContact CE-OD1 3.42Å; K74-N176 VanDerWaalsContact NZ-CG 3.3Å; K74-N176 PolarHBondContact NZ-OD1 2.86Å; T172-N176 PolarHBondContact O-N 2.89Å; I173-N176 WeakPolarHBondContact O-CA 3.43Å; I173-N176 PolarHBondContact O-N 2.96Å; S174-N176 PolarHBondContact O-N 2.94Å
177	G	79.9	Confident	87	Confident	47 Å²	47	29.8 Å²	29.8	49%	0.485	19%	0.192	S	C	.	.	S	Bend	trans	90.5	10	179.1	0	0	0	0	0	114.2	T172 S179	T172-G177 WeakPolarHBondContact O-CA 3.12Å; T172-G177 PolarHBondContact O-N 2.97Å; G177-S179 PolarHBondContact O-N 3.23Å
178	D	84.6	Confident	87	Confident	34 Å²	34	28.6 Å²	28.6	18%	0.182	19%	0.186	C	C	.	.			trans	-82.1	96.2	178.7	-162.4	-29.1	0	0	0	110.8	A175 S180 I181 G182 R434	A175-D178 HydrophobicContact CB-CB 4.04Å; A175-D178 WeakPolarHBondContact O-CB 3.42Å; D178-S180 PolarHBondContact O-N 3.21Å; D178-S180 WeakPolarHBondContact OD1-CB 3.42Å; D178-S180 PolarHBondContact OD1-N 2.87Å; D178-S180 VanDerWaalsContact OD1-N 3.14Å; D178-S180 PolarHBondContact OD1-OG 2.68Å; D178-I181 HydrophobicContact CB-CB 4.33Å; D178-I181 HydrophobicContact CB-CD1 3.95Å; D178-I181 HydrophobicContact CB-CG1 4.25Å; D178-I181 PolarHBondContact O-N 3Å; D178-I181 PolarHBondContact OD1-N 2.71Å; D178-I181 WeakPolarHBondContact OD2-CD1 3.48Å; D178-G182 PolarHBondContact O-N 3.48Å; D178-R434 IonicContact OD2-NH1 3.21Å; D178-R434 PolarHBondContact OD2-NH1 3.49Å
179	S	85.4	Confident	86.8	Confident	89 Å²	89	28.3 Å²	28.3	62%	0.622	18%	0.181	S	C	*	.	H	α-helix	trans	-66.1	-23.1	-179.7	57.4	0	0	0	0	113.1	G177 G183	G177-S179 PolarHBondContact O-N 3.23Å; S179-G183 PolarHBondContact O-N 2.88Å
180	S	87.1	Confident	86.7	Confident	56 Å²	56	31.4 Å²	31.4	39%	0.392	19%	0.194	S	C	.	.	H	α-helix	trans	-69.2	-46.1	178.1	74.1	0	0	0	0	111	D178 G183 L184	D178-S180 PolarHBondContact O-N 3.21Å; D178-S180 WeakPolarHBondContact OD1-CB 3.42Å; D178-S180 PolarHBondContact OD1-N 2.87Å; D178-S180 VanDerWaalsContact OD1-N 3.14Å; D178-S180 PolarHBondContact OD1-OG 2.68Å; S180-G183 PolarHBondContact O-N 3.29Å; S180-L184 VanDerWaalsContact O-CG 3.3Å; S180-L184 WeakPolarHBondContact O-CG 3.35Å; S180-L184 PolarHBondContact O-N 3.49Å
181	I	87.6	Confident	86.4	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-43.4	175.2	-65.2	172.3	0	0	0	110.2	A175 D178 G183 L184 I185 K431 V435 A438	A175-I181 HydrophobicContact CB-CB 3.93Å; A175-I181 HydrophobicContact CB-CD1 4.17Å; A175-I181 HydrophobicContact CB-CG2 3.75Å; D178-I181 HydrophobicContact CB-CB 4.33Å; D178-I181 HydrophobicContact CB-CD1 3.95Å; D178-I181 HydrophobicContact CB-CG1 4.25Å; D178-I181 PolarHBondContact O-N 3Å; D178-I181 PolarHBondContact OD1-N 2.71Å; D178-I181 WeakPolarHBondContact OD2-CD1 3.48Å; I181-G183 PolarHBondContact O-N 3.38Å; I181-L184 PolarHBondContact O-N 3Å; I181-I185 HydrophobicContact CG2-CD1 3.73Å; I181-I185 HydrophobicContact CG2-CG1 4.41Å; I181-I185 WeakPolarHBondContact O-CG1 3.31Å; I181-I185 PolarHBondContact O-N 3.34Å; I181-K431 HydrophobicContact CD1-CG 4.15Å; I181-V435 HydrophobicContact CD1-CG2 3.86Å; I181-V435 HydrophobicContact CG1-CG2 4.01Å; I181-V435 HydrophobicContact CG2-CB 4.43Å; I181-V435 HydrophobicContact CG2-CG2 3.84Å; I181-A438 HydrophobicContact CG2-CB 4.34Å
182	G	88	Confident	86	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-42.4	178.1	0	0	0	0	0	113.5	D178 S186	D178-G182 PolarHBondContact O-N 3.48Å; G182-S186 WeakPolarHBondContact O-CB 3.09Å; G182-S186 PolarHBondContact O-N 3.48Å; G182-S186 VanDerWaalsContact O-N 3.08Å
183	G	89.1	Confident	85.5	Confident	29 Å²	29	37.9 Å²	37.9	30%	0.299	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-47	174.2	0	0	0	0	0	112.7	S179 S180 I181 I185 S186 D187	S179-G183 PolarHBondContact O-N 2.88Å; S180-G183 PolarHBondContact O-N 3.29Å; I181-G183 PolarHBondContact O-N 3.38Å; G183-I185 VanDerWaalsContact C-N 3.34Å; G183-I185 PolarHBondContact O-N 3.43Å; G183-S186 PolarHBondContact O-N 2.64Å; G183-D187 PolarHBondContact O-N 3.03Å
184	L	89.1	Confident	84.7	Confident	36 Å²	36	43.3 Å²	43.3	19%	0.188	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-40.8	179.3	-71.4	168.6	0	0	0	112.6	S180 I181 D187 A188 D208 L210	S180-L184 VanDerWaalsContact O-CG 3.3Å; S180-L184 WeakPolarHBondContact O-CG 3.35Å; S180-L184 PolarHBondContact O-N 3.49Å; I181-L184 PolarHBondContact O-N 3Å; L184-D187 PolarHBondContact O-N 2.72Å; L184-A188 VanDerWaalsContact O-CB 3.3Å; L184-A188 WeakPolarHBondContact O-CB 3.25Å; L184-A188 PolarHBondContact O-N 3.07Å; L184-D208 HydrophobicContact CD1-CB 3.49Å; L184-D208 VanDerWaalsContact CD1-CB 3.49Å; L184-L210 HydrophobicContact CD2-CB 4.12Å
185	I	88.3	Confident	83.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.5	-42.1	177.8	-68.1	171.4	0	0	0	110.7	A171 I181 G183 D187 A188 L189 I418 A438 T442	A171-I185 HydrophobicContact CB-CB 4.14Å; A171-I185 HydrophobicContact CB-CD1 4.16Å; A171-I185 HydrophobicContact CB-CG2 4.17Å; I181-I185 HydrophobicContact CG2-CD1 3.73Å; I181-I185 HydrophobicContact CG2-CG1 4.41Å; I181-I185 WeakPolarHBondContact O-CG1 3.31Å; I181-I185 PolarHBondContact O-N 3.34Å; G183-I185 VanDerWaalsContact C-N 3.34Å; G183-I185 PolarHBondContact O-N 3.43Å; I185-D187 VanDerWaalsContact C-N 3.33Å; I185-D187 PolarHBondContact O-N 3.32Å; I185-A188 PolarHBondContact O-N 3.04Å; I185-L189 HydrophobicContact CG2-CD1 4Å; I185-L189 WeakPolarHBondContact O-CB 3.41Å; I185-L189 WeakPolarHBondContact O-CG 3.45Å; I185-L189 PolarHBondContact O-N 2.81Å; I185-I418 HydrophobicContact CG1-CD1 4Å; I185-A438 HydrophobicContact CD1-CB 3.42Å; I185-A438 VanDerWaalsContact CD1-CB 3.42Å; I185-T442 HydrophobicContact CG2-CG2 4.01Å
186	S	87.9	Confident	83.2	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-44.1	175	-172.3	0	0	0	0	111.3	P164 G182 G183 L189 K190	P164-S186 PolarHBondContact O-OG 2.79Å; G182-S186 WeakPolarHBondContact O-CB 3.09Å; G182-S186 PolarHBondContact O-N 3.48Å; G182-S186 VanDerWaalsContact O-N 3.08Å; G183-S186 PolarHBondContact O-N 2.64Å; S186-L189 PolarHBondContact O-N 3.23Å; S186-K190 VanDerWaalsContact O-CG 3.3Å; S186-K190 WeakPolarHBondContact O-CG 3.47Å; S186-K190 PolarHBondContact O-N 3.04Å
187	D	88.6	Confident	83	Confident	72 Å²	72	48.1 Å²	48.1	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-69.6	-35.8	178.2	-72.5	-14.8	0	0	0	112.8	G183 L184 I185 K190 K191 L210	G183-D187 PolarHBondContact O-N 3.03Å; L184-D187 PolarHBondContact O-N 2.72Å; I185-D187 VanDerWaalsContact C-N 3.33Å; I185-D187 PolarHBondContact O-N 3.32Å; D187-K190 PolarHBondContact O-N 3.31Å; D187-K190 IonicContact OD1-NZ 3.55Å; D187-K190 PolarHBondContact OD1-NZ 2.82Å; D187-K191 WeakPolarHBondContact O-CG 3.35Å; D187-K191 PolarHBondContact O-N 3.44Å; D187-K191 VanDerWaalsContact O-N 3.14Å; D187-L210 HydrophobicContact CB-CD2 3.95Å
188	A	86.9	Confident	83.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-49	172.6	0	0	0	0	0	111.1	L184 I185 K190 K191 V192 I198 L210 A416	L184-A188 VanDerWaalsContact O-CB 3.3Å; L184-A188 WeakPolarHBondContact O-CB 3.25Å; L184-A188 PolarHBondContact O-N 3.07Å; I185-A188 PolarHBondContact O-N 3.04Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 2.78Å; A188-K191 PolarHBondContact O-N 2.75Å; A188-V192 WeakPolarHBondContact O-CB 3.34Å; A188-V192 PolarHBondContact O-N 2.85Å; A188-I198 HydrophobicContact CB-CD1 3.96Å; A188-I198 HydrophobicContact CB-CG1 4.3Å; A188-L210 HydrophobicContact CB-CD1 3.7Å; A188-L210 HydrophobicContact CB-CD2 4.19Å; A188-A416 HydrophobicContact CB-CB 3.9Å
189	L	84.9	Confident	82.9	Confident	15 Å²	15	45.6 Å²	45.6	8%	0.079	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-36.4	178.4	-76.4	168.3	0	0	0	112.6	I167 I185 S186 G193 I198 I446	I167-L189 HydrophobicContact CG2-CD1 3.41Å; I167-L189 VanDerWaalsContact CG2-CD1 3.41Å; I185-L189 HydrophobicContact CG2-CD1 4Å; I185-L189 WeakPolarHBondContact O-CB 3.41Å; I185-L189 WeakPolarHBondContact O-CG 3.45Å; I185-L189 PolarHBondContact O-N 2.81Å; S186-L189 PolarHBondContact O-N 3.23Å; L189-G193 CarbonylContact O-C 3.58Å; L189-G193 VanDerWaalsContact O-CA 3.27Å; L189-G193 WeakPolarHBondContact O-CA 3.33Å; L189-G193 PolarHBondContact O-N 3.45Å; L189-I198 HydrophobicContact CD2-CD1 3.61Å; L189-I198 HydrophobicContact CG-CD1 3.65Å; L189-I446 HydrophobicContact CD1-CD1 4.32Å; L189-I446 HydrophobicContact CD2-CD1 4.42Å
190	K	84.7	Confident	82.8	Confident	125 Å²	125	42.1 Å²	42.1	54%	0.543	22%	0.224	S	C	.	.	H	α-helix	trans	-63.7	-40.9	174.2	-75.3	171.1	-167.7	163.3	0	112.5	S186 D187 A188	S186-K190 VanDerWaalsContact O-CG 3.3Å; S186-K190 WeakPolarHBondContact O-CG 3.47Å; S186-K190 PolarHBondContact O-N 3.04Å; D187-K190 PolarHBondContact O-N 3.31Å; D187-K190 IonicContact OD1-NZ 3.55Å; D187-K190 PolarHBondContact OD1-NZ 2.82Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 2.78Å
191	K	83.3	Confident	82.6	Confident	134 Å²	134	41.1 Å²	41.1	58%	0.583	21%	0.213	S	C	*	.	H	α-helix	trans	-76.2	-35.5	-177.6	-70	179.4	-171.4	176.7	0	112.9	D187 A188 L210 V212	D187-K191 WeakPolarHBondContact O-CG 3.35Å; D187-K191 PolarHBondContact O-N 3.44Å; D187-K191 VanDerWaalsContact O-N 3.14Å; A188-K191 PolarHBondContact O-N 2.75Å; K191-L210 HydrophobicContact CD-CD2 4.32Å; K191-V212 HydrophobicContact CB-CG2 3.91Å; K191-V212 HydrophobicContact CD-CG2 3.49Å; K191-V212 VanDerWaalsContact CD-CG2 3.49Å; K191-V212 HydrophobicContact CG-CG2 4.34Å
192	V	82	Confident	82.4	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.03	23%	0.229	C	C	.	.	H	α-helix	trans	-99.4	-16.9	-171.7	167.6	0	0	0	0	112.7	A188 V212 G414 A416	A188-V192 WeakPolarHBondContact O-CB 3.34Å; A188-V192 PolarHBondContact O-N 2.85Å; V192-V212 HydrophobicContact CG2-CG1 4.26Å; V192-G414 WeakPolarHBondContact CG1-O 3.23Å; V192-A416 HydrophobicContact CG2-CB 3.56Å
193	G	76.9	Confident	82.1	Confident	30 Å²	30	45 Å²	45	31%	0.309	24%	0.238	S	C	.	.			trans	83.1	171.5	-176.6	0	0	0	0	0	112.8	L189 E195 G196	L189-G193 CarbonylContact O-C 3.58Å; L189-G193 VanDerWaalsContact O-CA 3.27Å; L189-G193 WeakPolarHBondContact O-CA 3.33Å; L189-G193 PolarHBondContact O-N 3.45Å; G193-E195 VanDerWaalsContact C-N 3.27Å; G193-E195 PolarHBondContact O-N 2.84Å; G193-G196 PolarHBondContact O-N 3.46Å
194	K	71	Confident	81.8	Confident	156 Å²	156	53.9 Å²	53.9	68%	0.678	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.8	-177	-65.6	-176.5	178.2	-174.4	0	113.4	I446	K194-I446 HydrophobicContact CD-CG2 4.35Å
195	E	68.4	Low	81.7	Confident	129 Å²	129	54.9 Å²	54.9	60%	0.603	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-8.9	-176.8	-65.5	-173.6	176.3	0	0	113.8	G193 S409	G193-E195 VanDerWaalsContact C-N 3.27Å; G193-E195 PolarHBondContact O-N 2.84Å; E195-S409 PolarHBondContact OE2-OG 3.06Å
196	G	71.9	Confident	81.7	Confident	8 Å²	8	60.9 Å²	60.9	8%	0.082	31%	0.307	C	S	.	.	S	Bend	trans	-80.9	169.9	-173.8	0	0	0	0	0	112.8	G193	G193-G196 PolarHBondContact O-N 3.46Å
197	V	77.3	Confident	81.6	Confident	37 Å²	37	66.4 Å²	66.4	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.9	-166.3	-175.3	0	0	0	0	110.1	T199 K217 L370 V415 A416	V197-T199 HydrophobicContact CG1-CG2 4.02Å; V197-K217 HydrophobicContact CG1-CB 4.11Å; V197-K217 HydrophobicContact CG1-CD 3.82Å; V197-K217 HydrophobicContact CG2-CB 3.95Å; V197-K217 HydrophobicContact CG2-CD 4.41Å; V197-L370 HydrophobicContact CG1-CD2 4.2Å; V197-V415 HydrophobicContact CB-CG1 4.31Å; V197-V415 HydrophobicContact CB-CG2 4.31Å; V197-V415 HydrophobicContact CG1-CG1 4.27Å; V197-V415 CarbonylContact O-C 3.57Å; V197-V415 WeakPolarHBondContact O-CA 3.29Å; V197-A416 PolarHBondContact O-N 3.47Å
198	I	81.5	Confident	81.6	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.036	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.9	170.9	-56	172.5	0	0	0	108.2	A188 L189 A416 I418 M439	A188-I198 HydrophobicContact CB-CD1 3.96Å; A188-I198 HydrophobicContact CB-CG1 4.3Å; L189-I198 HydrophobicContact CD2-CD1 3.61Å; L189-I198 HydrophobicContact CG-CD1 3.65Å; I198-A416 CarbonylContact C-O 3.6Å; I198-A416 WeakPolarHBondContact CA-O 3.21Å; I198-A416 HydrophobicContact CG1-CB 4.19Å; I198-A416 HydrophobicContact CG2-CB 4.49Å; I198-I418 HydrophobicContact CG2-CD1 3.75Å; I198-I418 HydrophobicContact CG2-CG1 4.17Å; I198-M439 HydrophobicContact CB-CG 4.25Å; I198-M439 HydrophobicContact CB-SD 3.78Å; I198-M439 HydrophobicContact CG2-CG 4.38Å; I198-M439 HydrophobicContact CG2-SD 3.98Å; I198-M439 VanDerWaalsContact O-SD 3.33Å
199	T	80.9	Confident	81.7	Confident	22 Å²	22	68.3 Å²	68.3	14%	0.135	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.9	-178.4	62.5	0	0	0	0	109.8	V197 L370 V415 A416 V417 I418	V197-T199 HydrophobicContact CG1-CG2 4.02Å; T199-L370 HydrophobicContact CG2-CD2 3.26Å; T199-V415 HydrophobicContact CG2-CG1 3.61Å; T199-A416 PolarHBondContact N-O 3.24Å; T199-A416 PolarHBondContact OG1-O 2.86Å; T199-A416 VanDerWaalsContact OG1-O 3.07Å; T199-V417 CarbonylContact O-C 3.52Å; T199-V417 WeakPolarHBondContact O-CA 3.48Å; T199-V417 WeakPolarHBondContact OG1-CG2 3.4Å; T199-I418 PolarHBondContact O-N 3.14Å
200	V	83.5	Confident	81.9	Confident	15 Å²	15	69.2 Å²	69.2	9%	0.091	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.9	-177.5	-169.4	0	0	0	0	109.6	I418 V420 K432 V435 N436	V200-I418 CarbonylContact C-O 3.6Å; V200-I418 WeakPolarHBondContact CA-O 3.44Å; V200-V420 HydrophobicContact CG1-CG2 3.42Å; V200-V420 VanDerWaalsContact CG1-CG2 3.42Å; V200-K432 HydrophobicContact CG1-CG 3.84Å; V200-V435 HydrophobicContact CB-CG1 4.49Å; V200-V435 HydrophobicContact CG1-CB 4.23Å; V200-V435 HydrophobicContact CG1-CG1 3.98Å; V200-V435 HydrophobicContact CG2-CB 4.39Å; V200-V435 HydrophobicContact CG2-CG1 3.61Å; V200-N436 VanDerWaalsContact CG2-OD1 3.23Å; V200-N436 WeakPolarHBondContact CG2-OD1 3.18Å
201	K	82.3	Confident	81.9	Confident	35 Å²	35	65.7 Å²	65.7	15%	0.152	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	163	179.4	-70.1	-169.2	-169.7	170.4	0	111.7	G203 E361 V417 I418 K419 V420	K201-G203 PolarHBondContact O-N 3.02Å; K201-E361 WeakPolarHBondContact CE-OE1 3.46Å; K201-E361 IonicContact NZ-OE1 3.96Å; K201-E361 PolarHBondContact NZ-OE1 3.06Å; K201-E361 IonicContact NZ-OE2 3.82Å; K201-E361 PolarHBondContact NZ-OE2 3.06Å; K201-V417 HydrophobicContact CB-CG1 4.11Å; K201-V417 HydrophobicContact CD-CG1 3.66Å; K201-V417 HydrophobicContact CG-CG1 3.78Å; K201-I418 PolarHBondContact N-O 2.81Å; K201-K419 WeakPolarHBondContact O-CA 3.36Å; K201-V420 PolarHBondContact O-N 2.9Å
202	D	83.1	Confident	81.9	Confident	67 Å²	67	62.5 Å²	62.5	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.5	175.1	-58.2	-1	0	0	0	108.4	V428 K432	D202-V428 HydrophobicContact CB-CG1 4.4Å; D202-K432 WeakPolarHBondContact OD1-CD 3.42Å; D202-K432 IonicContact OD1-NZ 3.59Å; D202-K432 PolarHBondContact OD1-NZ 2.91Å
203	G	82.8	Confident	81.7	Confident	17 Å²	17	62.8 Å²	62.8	18%	0.175	33%	0.327	C	S	.	.			trans	-75.4	150.2	173.1	0	0	0	0	0	111.3	K201 V420	K201-G203 PolarHBondContact O-N 3.02Å; G203-V420 WeakPolarHBondContact CA-O 3.43Å; G203-V420 PolarHBondContact N-O 3.29Å
204	K	82.6	Confident	81.6	Confident	216 Å²	216	67 Å²	67	94%	0.939	34%	0.339	S	S	*	.	S	Bend	trans	-91.6	-12.2	170.6	-65.8	-177.8	-179.5	177.4	0	112.3
205	T	86.8	Confident	81.9	Confident	57 Å²	57	60.4 Å²	60.4	35%	0.35	32%	0.315	S	S	.	.	S	Bend	trans	-98.8	163.3	-178.7	48.4	0	0	0	0	110.1	N207 E209 G421	T205-N207 VanDerWaalsContact C-N 3.25Å; T205-N207 PolarHBondContact OG1-O 2.76Å; T205-E209 VanDerWaalsContact CG2-OE1 3.31Å; T205-E209 WeakPolarHBondContact CG2-OE1 3.49Å; T205-E209 PolarHBondContact OG1-OE1 2.88Å; T205-G421 WeakPolarHBondContact O-CA 2.97Å
206	L	87.6	Confident	82.6	Confident	126 Å²	126	54.8 Å²	54.8	66%	0.66	29%	0.289	S	S	*	.	S	Bend	trans	-72.1	-24.6	175.4	-67.9	171.3	0	0	0	112.2	G421	L206-G421 CarbonylContact O-C 3.54Å
207	N	87.2	Confident	83.1	Confident	122 Å²	122	56.9 Å²	56.9	65%	0.652	30%	0.295	S	S	*	.	S	Bend	trans	-98.7	154.8	-176.4	-62.2	-28.5	0	0	0	110.6	T205	T205-N207 VanDerWaalsContact C-N 3.25Å; T205-N207 PolarHBondContact OG1-O 2.76Å
208	D	88.8	Confident	83.6	Confident	33 Å²	33	55.2 Å²	55.2	18%	0.176	29%	0.285	C	S	.	.			trans	-78.9	139	173.3	-52.8	-41.3	0	0	0	110.5	L184 K419 V420 G421 K431	L184-D208 HydrophobicContact CD1-CB 3.49Å; L184-D208 VanDerWaalsContact CD1-CB 3.49Å; D208-K419 CarbonylContact C-O 3.42Å; D208-K419 VanDerWaalsContact CA-O 3.28Å; D208-K419 WeakPolarHBondContact CA-O 3.36Å; D208-V420 WeakPolarHBondContact OD1-CA 3.28Å; D208-G421 PolarHBondContact OD1-N 3.43Å; D208-K431 WeakPolarHBondContact OD1-CE 3.24Å; D208-K431 IonicContact OD1-NZ 3.66Å; D208-K431 PolarHBondContact OD1-NZ 2.91Å; D208-K431 WeakPolarHBondContact OD2-CE 3.26Å; D208-K431 IonicContact OD2-NZ 2.75Å; D208-K431 PolarHBondContact OD2-NZ 2.96Å
209	E	88.5	Confident	83.8	Confident	78 Å²	78	59.6 Å²	59.6	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.7	179.7	-65.4	169.3	-165.7	0	0	110.1	T205 K419	T205-E209 VanDerWaalsContact CG2-OE1 3.31Å; T205-E209 WeakPolarHBondContact CG2-OE1 3.49Å; T205-E209 PolarHBondContact OG1-OE1 2.88Å; E209-K419 HydrophobicContact CB-CB 4.25Å; E209-K419 PolarHBondContact N-O 3.15Å; E209-K419 PolarHBondContact O-N 3.05Å
210	L	88.1	Confident	84.2	Confident	35 Å²	35	62.3 Å²	62.3	18%	0.183	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.1	170.4	173.5	63.5	0	0	0	109.3	L184 D187 A188 K191 A416 I418	L184-L210 HydrophobicContact CD2-CB 4.12Å; D187-L210 HydrophobicContact CB-CD2 3.95Å; A188-L210 HydrophobicContact CB-CD1 3.7Å; A188-L210 HydrophobicContact CB-CD2 4.19Å; K191-L210 HydrophobicContact CD-CD2 4.32Å; L210-A416 HydrophobicContact CD1-CB 4Å; L210-I418 HydrophobicContact CD1-CG1 4.04Å
211	E	85.4	Confident	84.5	Confident	51 Å²	51	62 Å²	62	24%	0.238	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.9	173	-162.4	-177.3	160.4	0	0	109.8	I213 R373 A416 V417 K419	E211-I213 HydrophobicContact CB-CG1 4.29Å; E211-I213 HydrophobicContact CG-CD1 4.13Å; E211-I213 HydrophobicContact CG-CG1 3.77Å; E211-R373 IonicContact OE1-CZ 3.95Å; E211-R373 IonicContact OE1-NE 3.19Å; E211-R373 IonicContact OE1-NH2 2.83Å; E211-R373 PolarHBondContact OE1-NH2 3.42Å; E211-R373 IonicContact OE2-NH2 3.96Å; E211-A416 CarbonylContact O-C 3.55Å; E211-V417 PolarHBondContact N-O 3.48Å; E211-V417 PolarHBondContact O-N 2.66Å; E211-K419 WeakPolarHBondContact OE2-CE 3.39Å; E211-K419 IonicContact OE2-NZ 2.62Å; E211-K419 PolarHBondContact OE2-NZ 2.85Å
212	V	82.6	Confident	85	Confident	66 Å²	66	61.6 Å²	61.6	40%	0.4	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	171.5	-179.3	0	0	0	0	107.6	K191 V192	K191-V212 HydrophobicContact CB-CG2 3.91Å; K191-V212 HydrophobicContact CD-CG2 3.49Å; K191-V212 VanDerWaalsContact CD-CG2 3.49Å; K191-V212 HydrophobicContact CG-CG2 4.34Å; V192-V212 HydrophobicContact CG2-CG1 4.26Å
213	I	77.7	Confident	85.5	Confident	11 Å²	11	60.6 Å²	60.6	6%	0.056	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.6	-170.9	-56.1	-170.9	0	0	0	108.5	E211 G215 R373 G414 V415 V417	E211-I213 HydrophobicContact CB-CG1 4.29Å; E211-I213 HydrophobicContact CG-CD1 4.13Å; E211-I213 HydrophobicContact CG-CG1 3.77Å; I213-G215 PolarHBondContact O-N 2.62Å; I213-R373 HydrophobicContact CG2-CB 4.36Å; I213-R373 HydrophobicContact CG2-CG 3.15Å; I213-G414 CarbonylContact O-C 3.6Å; I213-G414 WeakPolarHBondContact O-CA 3.34Å; I213-V415 PolarHBondContact N-O 3.46Å; I213-V415 PolarHBondContact O-N 2.95Å; I213-V415 VanDerWaalsContact O-O 3.12Å; I213-V417 HydrophobicContact CB-CG2 4.39Å; I213-V417 HydrophobicContact CD1-CB 4.18Å; I213-V417 HydrophobicContact CD1-CG2 3.52Å; I213-V417 HydrophobicContact CG1-CG2 3.95Å
214	E	74.9	Confident	85.8	Confident	119 Å²	119	60.4 Å²	60.4	56%	0.556	31%	0.305	S	S	*	.			trans	-70.3	122.6	168.2	-66.5	171.5	-169.8	0	0	108.9	R373 K378	E214-R373 WeakPolarHBondContact O-CA 3.46Å; E214-R373 PolarHBondContact O-N 2.84Å; E214-K378 IonicContact OE1-NZ 3.71Å; E214-K378 PolarHBondContact OE1-NZ 3.48Å; E214-K378 IonicContact OE2-NZ 2.69Å
215	G	78.4	Confident	86.1	Confident	17 Å²	17	53.8 Å²	53.8	18%	0.175	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	174	-176.7	0	0	0	0	0	111.7	I213 L371 V415	I213-G215 PolarHBondContact O-N 2.62Å; G215-L371 CarbonylContact C-O 3.41Å; G215-L371 WeakPolarHBondContact CA-O 2.76Å; G215-V415 VanDerWaalsContact C-CG2 3.44Å; G215-V415 WeakPolarHBondContact O-CG2 3.32Å
216	M	82	Confident	86.3	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145	-179	64	-169.2	-46.5	0	0	111.7	M315 A318 L370 L371	M216-M315 HydrophobicContact CE-CB 4.19Å; M216-M315 HydrophobicContact CE-CG 3.24Å; M216-M315 HydrophobicContact CE-SD 4.4Å; M216-M315 HydrophobicContact SD-CB 4.14Å; M216-M315 HydrophobicContact SD-CG 3.58Å; M216-M315 VanDerWaalsContact SD-CG 3.58Å; M216-A318 HydrophobicContact SD-CB 4.02Å; M216-L370 WeakPolarHBondContact O-CA 3.48Å; M216-L371 HydrophobicContact CG-CB 3.97Å; M216-L371 HydrophobicContact CG-CD1 4.12Å; M216-L371 HydrophobicContact CG-CG 4.33Å; M216-L371 PolarHBondContact N-O 2.83Å; M216-L371 PolarHBondContact O-N 2.91Å; M216-L371 HydrophobicContact SD-CD1 4.15Å
217	K	83.5	Confident	86.4	Confident	51 Å²	51	51.7 Å²	51.7	22%	0.222	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.9	175.2	-179.5	-177	179.8	-162.6	0	109.9	V197 D368 T369 L370 K410	V197-K217 HydrophobicContact CG1-CB 4.11Å; V197-K217 HydrophobicContact CG1-CD 3.82Å; V197-K217 HydrophobicContact CG2-CB 3.95Å; V197-K217 HydrophobicContact CG2-CD 4.41Å; K217-D368 WeakPolarHBondContact CE-OD2 3.49Å; K217-D368 VanDerWaalsContact NZ-CG 3.25Å; K217-D368 IonicContact NZ-OD1 2.68Å; K217-D368 IonicContact NZ-OD2 3.72Å; K217-D368 PolarHBondContact NZ-OD2 3.39Å; K217-T369 WeakPolarHBondContact CA-O 3.46Å; K217-L370 HydrophobicContact CB-CD2 4.19Å; K217-L370 HydrophobicContact CB-CG 4.21Å; K217-L370 HydrophobicContact CD-CD2 4.33Å; K217-L370 HydrophobicContact CD-CG 4.43Å; K217-L370 HydrophobicContact CG-CD2 4.25Å; K217-L370 HydrophobicContact CG-CG 4.01Å; K217-K410 WeakPolarHBondContact O-CE 3.33Å
218	F	87.4	Confident	86.5	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	149.7	168.6	61.8	-88.9	0	0	0	112.1	R220 I273 V299 P302 M315 D368 T369 L371	F218-R220 HydrophobicContact CD2-CB 3.84Å; F218-R220 HydrophobicContact CD2-CG 4.21Å; F218-R220 HydrophobicContact CE2-CB 3.88Å; F218-R220 PolarHBondContact O-N 2.93Å; F218-I273 HydrophobicContact CE1-CD1 4.23Å; F218-I273 HydrophobicContact CZ-CD1 3.79Å; F218-I273 HydrophobicContact CZ-CG1 4.47Å; F218-V299 HydrophobicContact CE2-CG1 3.63Å; F218-V299 HydrophobicContact CZ-CG1 4.08Å; F218-P302 HydrophobicContact CB-CB 3.89Å; F218-P302 HydrophobicContact CB-CG 4.1Å; F218-P302 HydrophobicContact CD2-CB 3.89Å; F218-P302 HydrophobicContact CD2-CG 3.89Å; F218-P302 HydrophobicContact CE2-CG 4.47Å; F218-P302 HydrophobicContact CG-CB 4.15Å; F218-P302 HydrophobicContact CG-CG 4.01Å; F218-M315 HydrophobicContact CD1-SD 3.9Å; F218-M315 HydrophobicContact CE1-SD 3.72Å; F218-M315 HydrophobicContact CZ-SD 4.25Å; F218-D368 WeakPolarHBondContact O-CA 2.99Å; F218-T369 HydrophobicContact CD1-CG2 4.44Å; F218-T369 HydrophobicContact CE1-CG2 3.54Å; F218-T369 HydrophobicContact CE2-CG2 4.2Å; F218-T369 HydrophobicContact CZ-CG2 3.4Å; F218-T369 PolarHBondContact N-O 2.94Å; F218-T369 PolarHBondContact O-N 3.3Å; F218-L371 HydrophobicContact CE1-CD1 4.19Å; F218-L371 HydrophobicContact CE1-CG 4.29Å
219	D	85.4	Confident	86.4	Confident	99 Å²	99	49 Å²	49	53%	0.529	25%	0.247	S	C	.	.	S	Bend	trans	-86.6	57.1	-169.3	-46.6	-36.3	0	0	0	111.7	D367	D219-D367 CarbonylContact C-O 3.59Å; D219-D367 WeakPolarHBondContact CA-O 3.4Å
220	R	90	Very high	86	Confident	79 Å²	79	46.7 Å²	46.7	30%	0.298	24%	0.238	S	C	.	.			trans	-134.2	128.1	167	-63	-68.2	-164.5	-158.6	-2.1	109	F218 V299 K300 A301 P302 D367 D368 T369	F218-R220 HydrophobicContact CD2-CB 3.84Å; F218-R220 HydrophobicContact CD2-CG 4.21Å; F218-R220 HydrophobicContact CE2-CB 3.88Å; F218-R220 PolarHBondContact O-N 2.93Å; R220-V299 HydrophobicContact CB-CG1 3.78Å; R220-V299 WeakPolarHBondContact O-CG1 3.35Å; R220-K300 VanDerWaalsContact CB-O 3.27Å; R220-K300 WeakPolarHBondContact CB-O 3.38Å; R220-K300 VanDerWaalsContact CG-O 3.3Å; R220-K300 WeakPolarHBondContact CG-O 3.48Å; R220-A301 PolarHBondContact NE-O 2.99Å; R220-P302 HydrophobicContact CG-CB 4.45Å; R220-D367 CarbonylContact C-O 3.53Å; R220-D367 VanDerWaalsContact C-O 3.3Å; R220-D367 VanDerWaalsContact CA-O 3.32Å; R220-D367 WeakPolarHBondContact CA-O 3.49Å; R220-D367 PolarHBondContact N-O 3.47Å; R220-D368 CarbonylContact O-C 3.48Å; R220-D368 VanDerWaalsContact O-C 3.24Å; R220-T369 WeakPolarHBondContact O-CB 3.31Å; R220-T369 PolarHBondContact O-N 3.44Å; R220-T369 VanDerWaalsContact O-N 3.13Å; R220-T369 PolarHBondContact O-OG1 3.46Å
221	G	90.6	Very high	85.1	Confident	10 Å²	10	51.7 Å²	51.7	10%	0.103	27%	0.265	C	S	.	.			trans	-99.5	-169.3	174.4	0	0	0	0	0	114.4	T365 K366 D367	G221-T365 CarbonylContact C-O 3.56Å; G221-T365 WeakPolarHBondContact CA-O 3.4Å; G221-K366 VanDerWaalsContact CA-O 3.31Å; G221-K366 WeakPolarHBondContact CA-O 3.35Å; G221-D367 PolarHBondContact N-O 3.38Å
222	Y	92.2	Very high	84.1	Confident	26 Å²	26	54.3 Å²	54.3	10%	0.102	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-62.7	138.2	177.2	49.2	-106.4	0	0	0	111.3	S224 P225 I228 A234 V364 T365 K366	Y222-S224 VanDerWaalsContact CD2-C 3.49Å; Y222-S224 VanDerWaalsContact CD2-O 3.24Å; Y222-S224 WeakPolarHBondContact CD2-O 3.05Å; Y222-S224 PolarHBondContact O-N 2.66Å; Y222-P225 HydrophobicContact CE2-CB 4.08Å; Y222-I228 HydrophobicContact CE1-CD1 4.47Å; Y222-I228 HydrophobicContact CE1-CG1 4Å; Y222-A234 WeakPolarHBondContact CE1-O 3.3Å; Y222-A234 PolarHBondContact OH-O 3.34Å; Y222-V364 HydrophobicContact CD1-CG1 4.02Å; Y222-V364 HydrophobicContact CG-CG1 4.47Å; Y222-V364 VanDerWaalsContact N-CG1 3.32Å; Y222-T365 WeakPolarHBondContact CD1-O 3.36Å; Y222-T365 WeakPolarHBondContact CE1-O 3.5Å; Y222-T365 PolarHBondContact N-O 3.48Å; Y222-T365 VanDerWaalsContact N-O 3.1Å; Y222-K366 HydrophobicContact CE2-CB 4.47Å
223	I	92.4	Very high	83.3	Confident	45 Å²	45	53.2 Å²	53.2	23%	0.231	28%	0.278	C	S	.	.	S	Bend	trans	-67.1	-31.1	177.7	-65.4	169.4	0	0	0	111	V277 L282 A298 K300	I223-V277 HydrophobicContact CD1-CB 3.74Å; I223-V277 HydrophobicContact CD1-CG2 4.04Å; I223-L282 HydrophobicContact CB-CD1 4.46Å; I223-L282 HydrophobicContact CG2-CD1 4.07Å; I223-L282 HydrophobicContact CG2-CD2 3.92Å; I223-A298 HydrophobicContact CD1-CB 4.1Å; I223-A298 PolarHBondContact N-O 2.88Å; I223-K300 HydrophobicContact CD1-CG 3.89Å; I223-K300 HydrophobicContact CG1-CG 3.79Å
224	S	90.1	Very high	83.4	Confident	14 Å²	14	55.3 Å²	55.3	10%	0.098	30%	0.297	C	S	.	.	S	Bend	trans	-131.9	134.1	-178.1	-170.3	0	0	0	0	111.8	Y222 Y226 F227	Y222-S224 VanDerWaalsContact CD2-C 3.49Å; Y222-S224 VanDerWaalsContact CD2-O 3.24Å; Y222-S224 WeakPolarHBondContact CD2-O 3.05Å; Y222-S224 PolarHBondContact O-N 2.66Å; S224-Y226 PolarHBondContact O-N 3.38Å; S224-Y226 VanDerWaalsContact O-N 3.12Å; S224-Y226 VanDerWaalsContact OG-CD2 3.31Å; S224-Y226 WeakPolarHBondContact OG-CD2 3.29Å; S224-F227 VanDerWaalsContact O-CD2 3.25Å; S224-F227 WeakPolarHBondContact O-CD2 3.16Å; S224-F227 PolarHBondContact O-N 3.2Å
225	P	89.2	Confident	83.9	Confident	77 Å²	77	53 Å²	53	50%	0.5	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-65.2	-14.1	177.6	28.5	-35.8	0	0	0	113	Y222 F227 I228	Y222-P225 HydrophobicContact CE2-CB 4.08Å; P225-F227 PolarHBondContact O-N 3.49Å; P225-I228 HydrophobicContact CB-CD1 4.19Å; P225-I228 WeakPolarHBondContact O-CB 3.46Å; P225-I228 VanDerWaalsContact O-CD1 3.24Å; P225-I228 WeakPolarHBondContact O-CD1 2.83Å; P225-I228 WeakPolarHBondContact O-CG1 3.38Å; P225-I228 PolarHBondContact O-N 3.2Å
226	Y	90.1	Very high	84.4	Confident	139 Å²	139	52.1 Å²	52.1	55%	0.545	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-69.2	-10	176.4	-63.8	-64.5	0	0	0	113.9	S224 I228 V286 L290	S224-Y226 PolarHBondContact O-N 3.38Å; S224-Y226 VanDerWaalsContact O-N 3.12Å; S224-Y226 VanDerWaalsContact OG-CD2 3.31Å; S224-Y226 WeakPolarHBondContact OG-CD2 3.29Å; Y226-I228 VanDerWaalsContact C-N 3.32Å; Y226-V286 HydrophobicContact CD2-CG1 3.73Å; Y226-V286 HydrophobicContact CG-CG1 3.88Å; Y226-L290 HydrophobicContact CD1-CD1 4.15Å; Y226-L290 HydrophobicContact CD1-CD2 4.38Å; Y226-L290 HydrophobicContact CG-CD1 4.36Å
227	F	90.5	Very high	84.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-78.6	-15.8	174.2	-62.9	-51.3	0	0	0	113.6	S224 P225 N229 C236 L282 L285 V286 R289 V296 C297 A298	S224-F227 VanDerWaalsContact O-CD2 3.25Å; S224-F227 WeakPolarHBondContact O-CD2 3.16Å; S224-F227 PolarHBondContact O-N 3.2Å; P225-F227 PolarHBondContact O-N 3.49Å; F227-N229 PolarHBondContact O-N 2.93Å; F227-C236 PolarHBondContact O-SG 3.49Å; F227-C236 VanDerWaalsContact O-SG 3.4Å; F227-L282 HydrophobicContact CE2-CD1 4.03Å; F227-L282 HydrophobicContact CZ-CD1 3.96Å; F227-L285 HydrophobicContact CE1-CB 4.04Å; F227-L285 HydrophobicContact CZ-CB 4.02Å; F227-L285 HydrophobicContact CZ-CD1 4.44Å; F227-V286 HydrophobicContact CE1-CG2 4.17Å; F227-V286 HydrophobicContact CZ-CG2 3.98Å; F227-R289 HydrophobicContact CD1-CG 4.3Å; F227-V296 WeakPolarHBondContact CD1-O 3.32Å; F227-V296 HydrophobicContact CE1-CG2 4.2Å; F227-C297 HydrophobicContact CB-CB 4.32Å; F227-C297 HydrophobicContact CG-CB 4.49Å; F227-A298 HydrophobicContact CE2-CB 3.96Å; F227-A298 HydrophobicContact CZ-CB 4.16Å
228	I	88.4	Confident	85.2	Confident	48 Å²	48	53.3 Å²	53.3	25%	0.246	28%	0.282	C	S	.	.			trans	-51	130.7	178.2	-65.4	167.1	0	0	0	109.7	Y222 P225 Y226 T230 A234 K235 R289	Y222-I228 HydrophobicContact CE1-CD1 4.47Å; Y222-I228 HydrophobicContact CE1-CG1 4Å; P225-I228 HydrophobicContact CB-CD1 4.19Å; P225-I228 WeakPolarHBondContact O-CB 3.46Å; P225-I228 VanDerWaalsContact O-CD1 3.24Å; P225-I228 WeakPolarHBondContact O-CD1 2.83Å; P225-I228 WeakPolarHBondContact O-CG1 3.38Å; P225-I228 PolarHBondContact O-N 3.2Å; Y226-I228 VanDerWaalsContact C-N 3.32Å; I228-T230 WeakPolarHBondContact CG2-O 3.31Å; I228-A234 HydrophobicContact CD1-CB 3.88Å; I228-K235 WeakPolarHBondContact CG2-O 3.46Å; I228-R289 PolarHBondContact O-NH2 3.38Å
229	N	86.6	Confident	85.2	Confident	50 Å²	50	60.1 Å²	60.1	27%	0.267	31%	0.314	S	S	.	.			trans	-121.9	-13.7	-178.4	71.4	-5.9	0	0	0	113.3	F227 K235 C236 E237	F227-N229 PolarHBondContact O-N 2.93Å; N229-K235 PolarHBondContact N-O 2.82Å; N229-K235 PolarHBondContact OD1-O 3.04Å; N229-C236 VanDerWaalsContact OD1-CA 3.26Å; N229-C236 WeakPolarHBondContact OD1-CA 3.38Å; N229-E237 PolarHBondContact ND2-N 3.35Å; N229-E237 PolarHBondContact ND2-O 3.26Å; N229-E237 PolarHBondContact OD1-N 3.15Å
230	T	80.4	Confident	85.3	Confident	29 Å²	29	59.2 Å²	59.2	18%	0.178	31%	0.309	C	S	.	.			trans	-100.3	138.4	174.3	50.2	0	0	0	0	110.6	I228 K232 G233 K235 E237	I228-T230 WeakPolarHBondContact CG2-O 3.31Å; T230-K232 VanDerWaalsContact C-N 3.27Å; T230-G233 PolarHBondContact OG1-O 3Å; T230-K235 PolarHBondContact OG1-O 3.24Å; T230-E237 HydrophobicContact CG2-CB 4.26Å; T230-E237 HydrophobicContact CG2-CG 4.16Å
231	N	70.4	Confident	85.3	Confident	140 Å²	140	55.4 Å²	55.4	75%	0.749	30%	0.295	S	S	*	.	S	Bend	trans	-78.8	-16.8	171.3	-65.6	-22.2	0	0	0	111.7	G233	N231-G233 PolarHBondContact O-N 3.36Å
232	K	64	Low	85.3	Confident	107 Å²	107	55 Å²	55	47%	0.465	29%	0.29	S	S	.	.	S	Bend	trans	-97.8	72.7	-176.9	-63.9	-172.6	-172.7	172.7	0	111	T230 E425	T230-K232 VanDerWaalsContact C-N 3.27Å; K232-E425 WeakPolarHBondContact CE-OE1 3.23Å; K232-E425 VanDerWaalsContact NZ-CD 3.29Å; K232-E425 IonicContact NZ-OE1 2.79Å; K232-E425 PolarHBondContact NZ-OE1 3.38Å
233	G	65	Low	85.2	Confident	43 Å²	43	53.7 Å²	53.7	44%	0.443	29%	0.285	S	S	.	.	S	Bend	trans	100.8	155.5	-178.6	0	0	0	0	0	112.5	T230 N231 K235	T230-G233 PolarHBondContact OG1-O 3Å; N231-G233 PolarHBondContact O-N 3.36Å; G233-K235 PolarHBondContact O-N 2.99Å
234	A	79.8	Confident	85	Confident	55 Å²	55	52.1 Å²	52.1	46%	0.455	28%	0.277	S	S	.	.	S	Bend	trans	-78.6	65.9	-177.9	0	0	0	0	0	111.3	Y222 I228	Y222-A234 WeakPolarHBondContact CE1-O 3.3Å; Y222-A234 PolarHBondContact OH-O 3.34Å; I228-A234 HydrophobicContact CD1-CB 3.88Å
235	K	85.5	Confident	84.8	Confident	69 Å²	69	52.7 Å²	52.7	30%	0.3	28%	0.278	S	S	.	.			trans	-128.7	158.3	-176	-54.4	-170.2	179.9	-178.9	0	112.3	I228 N229 T230 G233 V364 T365	I228-K235 WeakPolarHBondContact CG2-O 3.46Å; N229-K235 PolarHBondContact N-O 2.82Å; N229-K235 PolarHBondContact OD1-O 3.04Å; T230-K235 PolarHBondContact OG1-O 3.24Å; G233-K235 PolarHBondContact O-N 2.99Å; K235-V364 CarbonylContact C-O 3.48Å; K235-V364 VanDerWaalsContact CA-O 3.27Å; K235-V364 WeakPolarHBondContact CA-O 3.45Å; K235-T365 HydrophobicContact CD-CG2 4.02Å; K235-T365 HydrophobicContact CG-CG2 3.98Å
236	C	89.5	Confident	84.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.3	171.3	-175.3	0	0	0	0	108.9	F227 N229 F238 C363 V364	F227-C236 PolarHBondContact O-SG 3.49Å; F227-C236 VanDerWaalsContact O-SG 3.4Å; N229-C236 VanDerWaalsContact OD1-CA 3.26Å; N229-C236 WeakPolarHBondContact OD1-CA 3.38Å; C236-F238 VanDerWaalsContact SG-CE2 3.58Å; C236-F238 WeakPolarHBondContact SG-CZ 3.15Å; C236-C363 CarbonylContact O-C 3.51Å; C236-C363 WeakPolarHBondContact O-CA 3.38Å; C236-V364 HydrophobicContact CB-CB 4.17Å; C236-V364 PolarHBondContact N-O 2.96Å; C236-V364 PolarHBondContact O-N 3.43Å
237	E	89.8	Confident	84.3	Confident	84 Å²	84	47.2 Å²	47.2	39%	0.393	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.6	-177.3	-67.6	179	176.5	0	0	111.3	N229 T230 V362	N229-E237 PolarHBondContact ND2-N 3.35Å; N229-E237 PolarHBondContact ND2-O 3.26Å; N229-E237 PolarHBondContact OD1-N 3.15Å; T230-E237 HydrophobicContact CG2-CB 4.26Å; T230-E237 HydrophobicContact CG2-CG 4.16Å; E237-V362 CarbonylContact C-O 3.55Å; E237-V362 WeakPolarHBondContact CA-O 3.21Å
238	F	91.4	Very high	84	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.6	177.4	-65.7	-40.8	0	0	0	111.4	C236 C241 P269 Q295 C297 E361 V362	C236-F238 VanDerWaalsContact SG-CE2 3.58Å; C236-F238 WeakPolarHBondContact SG-CZ 3.15Å; F238-C241 HydrophobicContact CB-CB 4.02Å; F238-P269 HydrophobicContact CB-CB 3.81Å; F238-P269 HydrophobicContact CB-CG 3.73Å; F238-P269 HydrophobicContact CD1-CB 3.6Å; F238-P269 HydrophobicContact CD1-CG 4.24Å; F238-P269 HydrophobicContact CD2-CB 4.01Å; F238-P269 HydrophobicContact CE1-CB 4.12Å; F238-P269 HydrophobicContact CE2-CB 4.45Å; F238-P269 HydrophobicContact CG-CB 3.55Å; F238-P269 HydrophobicContact CG-CG 4.06Å; F238-Q295 HydrophobicContact CD1-CB 4.21Å; F238-Q295 HydrophobicContact CE1-CB 3.64Å; F238-Q295 HydrophobicContact CE1-CG 4.28Å; F238-Q295 HydrophobicContact CZ-CB 4.22Å; F238-C297 HydrophobicContact CE2-CB 3.52Å; F238-C297 HydrophobicContact CZ-CB 4.07Å; F238-E361 WeakPolarHBondContact O-CA 3.5Å; F238-V362 HydrophobicContact CB-CB 4.35Å; F238-V362 PolarHBondContact N-O 2.84Å; F238-V362 PolarHBondContact O-N 3.05Å
239	Q	88.8	Confident	83.9	Confident	145 Å²	145	55.6 Å²	55.6	68%	0.678	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.9	171.6	-67.1	-178.2	-8.9	0	0	109.8	C241 P269 E360	Q239-C241 VanDerWaalsContact C-N 3.32Å; Q239-C241 PolarHBondContact O-N 2.81Å; Q239-P269 WeakPolarHBondContact O-CD 3.07Å; Q239-P269 WeakPolarHBondContact O-CG 3.29Å; Q239-E360 CarbonylContact C-O 3.56Å; Q239-E360 WeakPolarHBondContact CA-O 3.29Å
240	N	87.6	Confident	83.9	Confident	80 Å²	80	53.3 Å²	53.3	43%	0.428	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.8	51.5	-177.8	-66.4	-47.9	0	0	0	112.9	R268 V359 E360	N240-R268 PolarHBondContact O-NE 3.41Å; N240-R268 PolarHBondContact O-NH2 3.04Å; N240-V359 CarbonylContact C-O 3.3Å; N240-V359 WeakPolarHBondContact CA-O 3.38Å; N240-E360 PolarHBondContact N-O 2.8Å
241	C	89.4	Confident	84.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	146.8	-175.9	-162.8	0	0	0	0	112	F238 Q239 R268 P269 L271 V359 V362	F238-C241 HydrophobicContact CB-CB 4.02Å; Q239-C241 VanDerWaalsContact C-N 3.32Å; Q239-C241 PolarHBondContact O-N 2.81Å; C241-R268 PolarHBondContact O-NH2 3.38Å; C241-P269 WeakPolarHBondContact CA-O 3.38Å; C241-P269 HydrophobicContact CB-CG 4.09Å; C241-P269 VanDerWaalsContact SG-C 3.58Å; C241-P269 PolarHBondContact SG-O 3.49Å; C241-L271 PolarHBondContact SG-N 2.96Å; C241-L271 VanDerWaalsContact SG-N 3.4Å; C241-V359 PolarHBondContact N-O 3.26Å; C241-V359 PolarHBondContact O-N 3.32Å; C241-V362 HydrophobicContact CB-CG2 3.82Å
242	L	90	Very high	85	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	140.6	164.5	-65.8	171.3	0	0	0	108.7	R268 P269 L270 L271 L353 L356 G357 E358	L242-R268 HydrophobicContact CD1-CB 4.18Å; L242-R268 VanDerWaalsContact CD2-CZ 3.5Å; L242-R268 HydrophobicContact CG-CB 4.26Å; L242-P269 PolarHBondContact N-O 3.01Å; L242-L270 HydrophobicContact CB-CD1 3.98Å; L242-L270 CarbonylContact O-C 3.49Å; L242-L270 WeakPolarHBondContact O-CA 3.48Å; L242-L271 PolarHBondContact O-N 3.27Å; L242-L353 HydrophobicContact CD1-CD1 3.78Å; L242-L353 HydrophobicContact CD2-CD1 4.2Å; L242-L356 HydrophobicContact CB-CB 4.43Å; L242-L356 HydrophobicContact CB-CD1 4.22Å; L242-L356 HydrophobicContact CD1-CD1 4.02Å; L242-L356 HydrophobicContact CD2-CB 4.25Å; L242-L356 HydrophobicContact CG-CD1 4.5Å; L242-G357 CarbonylContact C-O 3.58Å; L242-G357 WeakPolarHBondContact CA-O 3.49Å; L242-E358 HydrophobicContact CD2-CG 4.19Å
243	V	89.6	Confident	86	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.7	-179.6	-171.5	0	0	0	0	109.5	F245 L271 I273 G357 V359	V243-F245 HydrophobicContact CB-CE2 4.08Å; V243-F245 HydrophobicContact CB-CZ 4.06Å; V243-F245 HydrophobicContact CG1-CD1 4.22Å; V243-F245 HydrophobicContact CG1-CD2 4.34Å; V243-F245 HydrophobicContact CG1-CE1 3.65Å; V243-F245 HydrophobicContact CG1-CE2 3.77Å; V243-F245 HydrophobicContact CG1-CZ 3.41Å; V243-F245 VanDerWaalsContact CG1-CZ 3.41Å; V243-L271 CarbonylContact C-O 3.13Å; V243-L271 WeakPolarHBondContact CA-O 3.04Å; V243-L271 HydrophobicContact CG1-CD2 4.2Å; V243-L271 HydrophobicContact CG2-CB 4.3Å; V243-L271 HydrophobicContact CG2-CD2 4.26Å; V243-I273 HydrophobicContact CG1-CD1 3.86Å; V243-I273 HydrophobicContact CG1-CG1 4.24Å; V243-G357 PolarHBondContact N-O 2.97Å; V243-G357 PolarHBondContact O-N 3.18Å; V243-V359 HydrophobicContact CG2-CB 4.31Å; V243-V359 HydrophobicContact CG2-CG2 3.57Å
244	L	89	Confident	86.8	Confident	11 Å²	11	51 Å²	51	6%	0.058	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.8	170.2	178.7	70.4	0	0	0	109	V259 L270 L271 I272 I273 L356	L244-V259 HydrophobicContact CD1-CG2 4.37Å; L244-V259 HydrophobicContact CD2-CG1 4.22Å; L244-V259 HydrophobicContact CD2-CG2 4.19Å; L244-L270 HydrophobicContact CB-CD1 4.36Å; L244-L271 PolarHBondContact N-O 3.2Å; L244-I272 HydrophobicContact CB-CG1 4.38Å; L244-I272 HydrophobicContact CD2-CG1 4.36Å; L244-I272 HydrophobicContact CD2-CG2 4.24Å; L244-I273 PolarHBondContact O-N 2.95Å; L244-L356 HydrophobicContact CB-CD2 3.94Å; L244-L356 HydrophobicContact CD1-CD2 3.7Å; L244-L356 HydrophobicContact CG-CD2 4.45Å
245	F	86.8	Confident	86.8	Confident	26 Å²	26	51.4 Å²	51.4	11%	0.114	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.6	171.7	-59.9	-75.6	0	0	0	109.8	V243 I273 L312 M315 A316 T319	V243-F245 HydrophobicContact CB-CE2 4.08Å; V243-F245 HydrophobicContact CB-CZ 4.06Å; V243-F245 HydrophobicContact CG1-CD1 4.22Å; V243-F245 HydrophobicContact CG1-CD2 4.34Å; V243-F245 HydrophobicContact CG1-CE1 3.65Å; V243-F245 HydrophobicContact CG1-CE2 3.77Å; V243-F245 HydrophobicContact CG1-CZ 3.41Å; V243-F245 VanDerWaalsContact CG1-CZ 3.41Å; F245-I273 HydrophobicContact CD1-CB 4.24Å; F245-I273 HydrophobicContact CD1-CD1 4.28Å; F245-I273 HydrophobicContact CE1-CD1 3.8Å; F245-L312 HydrophobicContact CD1-CD2 4Å; F245-M315 HydrophobicContact CD1-CB 4.32Å; F245-M315 HydrophobicContact CE1-CB 3.48Å; F245-M315 VanDerWaalsContact CE1-CB 3.48Å; F245-M315 HydrophobicContact CE1-CE 4.5Å; F245-M315 HydrophobicContact CE1-CG 4.45Å; F245-M315 HydrophobicContact CE1-SD 4.39Å; F245-M315 HydrophobicContact CZ-CB 3.86Å; F245-A316 HydrophobicContact CD2-CB 3.93Å; F245-A316 HydrophobicContact CE2-CB 4.03Å; F245-A316 HydrophobicContact CG-CB 4.44Å; F245-T319 WeakPolarHBondContact CE2-OG1 3.37Å; F245-T319 HydrophobicContact CZ-CG2 4.12Å; F245-T319 WeakPolarHBondContact CZ-OG1 3.14Å
246	C	83.2	Confident	86.6	Confident	12 Å²	12	48.1 Å²	48.1	8%	0.081	24%	0.238	C	C	.	.			trans	-127.7	127.1	175.5	-168	0	0	0	0	110	K248 I250 I273 A274	C246-K248 PolarHBondContact SG-O 3.3Å; C246-I250 HydrophobicContact CB-CD1 4.05Å; C246-I250 HydrophobicContact CB-CG1 4.4Å; C246-I273 PolarHBondContact N-O 3.45Å; C246-A274 HydrophobicContact CB-CB 3.95Å; C246-A274 VanDerWaalsContact O-CA 3.31Å; C246-A274 WeakPolarHBondContact O-CA 3.42Å
247	E	84.6	Confident	86.5	Confident	90 Å²	90	50.9 Å²	50.9	42%	0.421	26%	0.255	S	S	.	.	S	Bend	trans	-76.2	-29.5	175.8	-168.5	-173.4	148.9	0	0	112.1	E275 R308 K309	E247-E275 WeakPolarHBondContact O-CB 3.41Å; E247-R308 PolarHBondContact O-NH2 3.27Å; E247-K309 HydrophobicContact CG-CG 4.19Å; E247-K309 WeakPolarHBondContact OE1-CD 3.5Å; E247-K309 WeakPolarHBondContact OE1-CE 3.28Å; E247-K309 IonicContact OE1-NZ 2.91Å; E247-K309 PolarHBondContact OE1-NZ 3Å
248	K	84.7	Confident	86.2	Confident	124 Å²	124	48.7 Å²	48.7	54%	0.539	25%	0.248	S	C	.	.	S	Bend	trans	-90.4	169.6	-176.9	-65.8	-175.9	179.9	179.1	0	111.5	C246 E275	C246-K248 PolarHBondContact SG-O 3.3Å; K248-E275 PolarHBondContact O-N 2.96Å
249	K	86.8	Confident	85.8	Confident	100 Å²	100	48.5 Å²	48.5	44%	0.435	25%	0.247	S	C	.	.			trans	-76	141.1	169.5	-64.3	-174.1	-179.2	-173.1	0	110.1	E275 D276	K249-E275 HydrophobicContact CD-CG 4.4Å; K249-E275 VanDerWaalsContact CE-CD 3.49Å; K249-E275 WeakPolarHBondContact CE-OE1 3.32Å; K249-E275 HydrophobicContact CG-CB 4.01Å; K249-E275 HydrophobicContact CG-CG 3.64Å; K249-E275 IonicContact NZ-OE1 3.79Å; K249-D276 WeakPolarHBondContact CA-O 3.4Å; K249-D276 HydrophobicContact CD-CB 4.17Å; K249-D276 HydrophobicContact CG-CB 4Å
250	I	85.5	Confident	85.6	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-106.9	105.5	175.5	-54.7	173.1	0	0	0	108.1	C246 I256 I272 A274 D276 V277 D278 A281	C246-I250 HydrophobicContact CB-CD1 4.05Å; C246-I250 HydrophobicContact CB-CG1 4.4Å; I250-I256 HydrophobicContact CG2-CD1 4.2Å; I250-I272 HydrophobicContact CD1-CG2 3.8Å; I250-A274 HydrophobicContact CD1-CB 3.81Å; I250-A274 HydrophobicContact CG1-CB 4.03Å; I250-D276 PolarHBondContact N-O 3.33Å; I250-V277 HydrophobicContact CB-CG2 4.43Å; I250-V277 HydrophobicContact CD1-CG2 4.47Å; I250-V277 WeakPolarHBondContact O-CA 3.38Å; I250-D278 PolarHBondContact O-N 2.87Å; I250-D278 VanDerWaalsContact O-N 3.12Å; I250-A281 HydrophobicContact CG2-CB 3.93Å
251	S	87.9	Confident	85.5	Confident	56 Å²	56	43.7 Å²	43.7	39%	0.392	22%	0.222	S	C	.	.			trans	-113.2	-29.5	178.4	-51.3	0	0	0	0	112.4	D278 A281	S251-D278 VanDerWaalsContact CB-OD1 3.3Å; S251-D278 WeakPolarHBondContact CB-OD1 3.26Å; S251-D278 PolarHBondContact OG-OD1 3.46Å; S251-A281 PolarHBondContact O-N 3.32Å
252	S	85.8	Confident	85.3	Confident	42 Å²	42	45.1 Å²	45.1	29%	0.294	23%	0.229	S	C	.	.			trans	-88.2	141.2	-176.3	-177.2	0	0	0	0	111.9	Q254	S252-Q254 VanDerWaalsContact C-N 3.32Å; S252-Q254 PolarHBondContact OG-N 3.29Å
253	V	85.2	Confident	85	Confident	33 Å²	33	45.2 Å²	45.2	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-70.3	-30.2	174.2	-177.6	0	0	0	0	111.5	E255 I256 V257 E280 T284	V253-E255 VanDerWaalsContact C-N 3.26Å; V253-E255 PolarHBondContact O-N 2.83Å; V253-I256 WeakPolarHBondContact O-CG2 3.31Å; V253-I256 PolarHBondContact O-N 3.47Å; V253-V257 HydrophobicContact CG1-CG2 3.82Å; V253-V257 VanDerWaalsContact O-CG2 3.31Å; V253-V257 WeakPolarHBondContact O-CG2 3.49Å; V253-V257 PolarHBondContact O-N 3.43Å; V253-E280 HydrophobicContact CG2-CB 3.6Å; V253-T284 HydrophobicContact CG1-CG2 4.14Å; V253-T284 WeakPolarHBondContact CG2-OG1 3.42Å
254	Q	83	Confident	84.9	Confident	140 Å²	140	49.7 Å²	49.7	65%	0.654	25%	0.254	S	S	*	.	H	α-helix	trans	-62.2	-36	-176	-67.7	177.3	-13.9	0	0	112.2	S252 I256 P258	S252-Q254 VanDerWaalsContact C-N 3.32Å; S252-Q254 PolarHBondContact OG-N 3.29Å; Q254-I256 VanDerWaalsContact C-N 3.32Å; Q254-I256 PolarHBondContact O-N 2.94Å; Q254-P258 VanDerWaalsContact O-CD 3.31Å; Q254-P258 WeakPolarHBondContact O-CD 3.49Å
255	E	78.8	Confident	84.8	Confident	63 Å²	63	56 Å²	56	29%	0.294	28%	0.284	S	S	.	.	H	α-helix	trans	-67.8	-31.2	179.8	-66.2	172.9	-172	0	0	112.5	V253 I348	V253-E255 VanDerWaalsContact C-N 3.26Å; V253-E255 PolarHBondContact O-N 2.83Å; E255-I348 HydrophobicContact CB-CB 4.28Å; E255-I348 HydrophobicContact CB-CD1 4.04Å; E255-I348 HydrophobicContact CB-CG2 4.43Å; E255-I348 HydrophobicContact CG-CD1 4.29Å; E255-I348 WeakPolarHBondContact O-CG2 3.49Å
256	I	82.4	Confident	84.6	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-93.8	-25.4	-170.7	-149.3	154.7	0	0	0	113.2	I250 V253 Q254 V259 L260 I272 L285	I250-I256 HydrophobicContact CG2-CD1 4.2Å; V253-I256 WeakPolarHBondContact O-CG2 3.31Å; V253-I256 PolarHBondContact O-N 3.47Å; Q254-I256 VanDerWaalsContact C-N 3.32Å; Q254-I256 PolarHBondContact O-N 2.94Å; I256-V259 PolarHBondContact O-N 3.39Å; I256-L260 HydrophobicContact CB-CD1 4.47Å; I256-L260 HydrophobicContact CG1-CD1 4.15Å; I256-L260 HydrophobicContact CG1-CG 4.18Å; I256-L260 HydrophobicContact CG2-CD1 3.77Å; I256-L260 VanDerWaalsContact O-CG 3.28Å; I256-L260 WeakPolarHBondContact O-CG 3.38Å; I256-L260 PolarHBondContact O-N 2.93Å; I256-I272 HydrophobicContact CD1-CD1 3.55Å; I256-I272 HydrophobicContact CG1-CD1 3.95Å; I256-L285 HydrophobicContact CD1-CD1 3.78Å; I256-L285 HydrophobicContact CD1-CD2 3.84Å; I256-L285 HydrophobicContact CD1-CG 3.91Å; I256-L285 HydrophobicContact CG1-CD2 4.41Å
257	V	85.5	Confident	84.7	Confident	57 Å²	57	68.6 Å²	68.6	35%	0.345	33%	0.334	S	S	.	.	H	α-helix	trans	-58.1	-48.5	-174.2	167.5	0	0	0	0	112.6	V253 V259 L260 E261	V253-V257 HydrophobicContact CG1-CG2 3.82Å; V253-V257 VanDerWaalsContact O-CG2 3.31Å; V253-V257 WeakPolarHBondContact O-CG2 3.49Å; V253-V257 PolarHBondContact O-N 3.43Å; V257-V259 VanDerWaalsContact C-N 3.32Å; V257-V259 PolarHBondContact O-N 3.38Å; V257-L260 PolarHBondContact O-N 3.24Å; V257-E261 HydrophobicContact CG1-CG 4.34Å; V257-E261 WeakPolarHBondContact O-CG 3.39Å; V257-E261 PolarHBondContact O-N 3.36Å
258	P	84	Confident	84.9	Confident	38 Å²	38	66.7 Å²	66.7	25%	0.247	32%	0.323	C	S	.	.	H	α-helix	trans	-59.6	-41.5	-179.1	-26.8	38	0	0	0	112.8	Q254 E261 M262	Q254-P258 VanDerWaalsContact O-CD 3.31Å; Q254-P258 WeakPolarHBondContact O-CD 3.49Å; P258-E261 PolarHBondContact O-N 2.99Å; P258-M262 WeakPolarHBondContact O-CG 3.5Å; P258-M262 PolarHBondContact O-N 3.28Å
259	V	83.6	Confident	85.2	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.6	-40.9	178.7	-171.5	0	0	0	0	111.6	L244 I256 V257 E261 M262 A263 L270 I348 T351 L356	L244-V259 HydrophobicContact CD1-CG2 4.37Å; L244-V259 HydrophobicContact CD2-CG1 4.22Å; L244-V259 HydrophobicContact CD2-CG2 4.19Å; I256-V259 PolarHBondContact O-N 3.39Å; V257-V259 VanDerWaalsContact C-N 3.32Å; V257-V259 PolarHBondContact O-N 3.38Å; V259-E261 VanDerWaalsContact C-N 3.33Å; V259-M262 HydrophobicContact CB-CE 4.44Å; V259-M262 HydrophobicContact CG2-CE 4.29Å; V259-M262 PolarHBondContact O-N 2.86Å; V259-A263 WeakPolarHBondContact O-CB 3.48Å; V259-A263 PolarHBondContact O-N 3.25Å; V259-L270 HydrophobicContact CG1-CD1 3.93Å; V259-L270 HydrophobicContact CG1-CD2 3.72Å; V259-L270 HydrophobicContact CG1-CG 4.49Å; V259-I348 HydrophobicContact CG2-CG2 4.12Å; V259-T351 WeakPolarHBondContact CG2-OG1 3.45Å; V259-L356 HydrophobicContact CG1-CD1 4.4Å; V259-L356 HydrophobicContact CG1-CD2 4.2Å
260	L	85	Confident	85.4	Confident	15 Å²	15	56.3 Å²	56.3	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-39	176.6	-69	174.7	0	0	0	111.8	I256 V257 A263 N264 L270 L285 L294 V296	I256-L260 HydrophobicContact CB-CD1 4.47Å; I256-L260 HydrophobicContact CG1-CD1 4.15Å; I256-L260 HydrophobicContact CG1-CG 4.18Å; I256-L260 HydrophobicContact CG2-CD1 3.77Å; I256-L260 VanDerWaalsContact O-CG 3.28Å; I256-L260 WeakPolarHBondContact O-CG 3.38Å; I256-L260 PolarHBondContact O-N 2.93Å; V257-L260 PolarHBondContact O-N 3.24Å; L260-A263 PolarHBondContact O-N 3.22Å; L260-N264 VanDerWaalsContact O-CB 3.23Å; L260-N264 WeakPolarHBondContact O-CB 3.29Å; L260-N264 PolarHBondContact O-N 2.89Å; L260-L270 HydrophobicContact CD2-CD2 3.88Å; L260-L285 HydrophobicContact CD1-CD2 4.03Å; L260-L285 HydrophobicContact CD2-CD2 3.81Å; L260-L285 HydrophobicContact CG-CD2 4.47Å; L260-L294 HydrophobicContact CD2-CD2 3.82Å; L260-V296 HydrophobicContact CD2-CG1 3.65Å
261	E	86	Confident	85.6	Confident	108 Å²	108	56.3 Å²	56.3	51%	0.505	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-44.9	175	-73.3	-177	178.7	0	0	111.4	V257 P258 V259 A263 N264 Q265	V257-E261 HydrophobicContact CG1-CG 4.34Å; V257-E261 WeakPolarHBondContact O-CG 3.39Å; V257-E261 PolarHBondContact O-N 3.36Å; P258-E261 PolarHBondContact O-N 2.99Å; V259-E261 VanDerWaalsContact C-N 3.33Å; E261-A263 PolarHBondContact O-N 3.25Å; E261-N264 PolarHBondContact O-N 2.87Å; E261-Q265 WeakPolarHBondContact O-CB 3.47Å; E261-Q265 WeakPolarHBondContact O-CG 3.21Å; E261-Q265 PolarHBondContact O-N 2.95Å
262	M	83.2	Confident	85.8	Confident	30 Å²	30	53.6 Å²	53.6	15%	0.148	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-44.5	175.6	-72.7	-169.2	-70.9	0	0	112.7	P258 V259 N264 Q265 N266 T351	P258-M262 WeakPolarHBondContact O-CG 3.5Å; P258-M262 PolarHBondContact O-N 3.28Å; V259-M262 HydrophobicContact CB-CE 4.44Å; V259-M262 HydrophobicContact CG2-CE 4.29Å; V259-M262 PolarHBondContact O-N 2.86Å; M262-N264 VanDerWaalsContact C-N 3.34Å; M262-N264 PolarHBondContact O-N 3.36Å; M262-Q265 PolarHBondContact O-N 2.91Å; M262-N266 PolarHBondContact O-N 3.25Å; M262-N266 VanDerWaalsContact O-N 3.14Å; M262-N266 PolarHBondContact O-ND2 3.35Å; M262-T351 WeakPolarHBondContact CE-O 3.17Å; M262-T351 WeakPolarHBondContact CE-OG1 3.38Å; M262-T351 VanDerWaalsContact SD-O 3.38Å
263	A	84.5	Confident	86	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-42.4	177.2	0	0	0	0	0	111.4	V259 L260 E261 N266 R267 R268 L270	V259-A263 WeakPolarHBondContact O-CB 3.48Å; V259-A263 PolarHBondContact O-N 3.25Å; L260-A263 PolarHBondContact O-N 3.22Å; E261-A263 PolarHBondContact O-N 3.25Å; A263-N266 PolarHBondContact O-N 3.22Å; A263-R267 PolarHBondContact O-N 3.47Å; A263-R268 PolarHBondContact O-N 3.01Å; A263-R268 VanDerWaalsContact O-N 3.1Å; A263-L270 HydrophobicContact CB-CB 3.88Å; A263-L270 HydrophobicContact CB-CD2 4.3Å; A263-L270 HydrophobicContact CB-CG 4.47Å
264	N	86.8	Confident	86.1	Confident	94 Å²	94	50 Å²	50	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-68.6	-39.8	178.9	-169.2	41.6	0	0	0	112.6	L260 E261 M262 N266 R267 L294	L260-N264 VanDerWaalsContact O-CB 3.23Å; L260-N264 WeakPolarHBondContact O-CB 3.29Å; L260-N264 PolarHBondContact O-N 2.89Å; E261-N264 PolarHBondContact O-N 2.87Å; M262-N264 VanDerWaalsContact C-N 3.34Å; M262-N264 PolarHBondContact O-N 3.36Å; N264-N266 VanDerWaalsContact C-N 3.31Å; N264-N266 PolarHBondContact O-N 2.9Å; N264-R267 PolarHBondContact O-N 3.46Å; N264-R267 VanDerWaalsContact O-N 3.08Å; N264-L294 HydrophobicContact CB-CD1 3.98Å
265	Q	87	Confident	86.4	Confident	145 Å²	145	46.3 Å²	46.3	68%	0.678	22%	0.219	S	C	*	.	H	α-helix	trans	-60	-42.2	175	-76.6	174	17.9	0	0	111.5	E261 M262 R267	E261-Q265 WeakPolarHBondContact O-CB 3.47Å; E261-Q265 WeakPolarHBondContact O-CG 3.21Å; E261-Q265 PolarHBondContact O-N 2.95Å; M262-Q265 PolarHBondContact O-N 2.91Å; Q265-R267 VanDerWaalsContact C-N 3.26Å; Q265-R267 PolarHBondContact O-N 3.5Å
266	N	84.1	Confident	86.9	Confident	73 Å²	73	44.8 Å²	44.8	39%	0.39	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-6	177	-70.5	-65.2	0	0	0	113.7	M262 A263 N264 R268 L353	M262-N266 PolarHBondContact O-N 3.25Å; M262-N266 VanDerWaalsContact O-N 3.14Å; M262-N266 PolarHBondContact O-ND2 3.35Å; A263-N266 PolarHBondContact O-N 3.22Å; N264-N266 VanDerWaalsContact C-N 3.31Å; N264-N266 PolarHBondContact O-N 2.9Å; N266-R268 HydrophobicContact CB-CG 4.34Å; N266-R268 PolarHBondContact O-N 3.43Å; N266-L353 WeakPolarHBondContact ND2-CD1 3.44Å
267	R	84.8	Confident	87.3	Confident	228 Å²	228	44.8 Å²	44.8	86%	0.86	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.3	-174.8	-56.3	-179.7	179.9	-176.7	-0.2	112.8	A263 N264 Q265	A263-R267 PolarHBondContact O-N 3.47Å; N264-R267 PolarHBondContact O-N 3.46Å; N264-R267 VanDerWaalsContact O-N 3.08Å; Q265-R267 VanDerWaalsContact C-N 3.26Å; Q265-R267 PolarHBondContact O-N 3.5Å
268	R	87.7	Confident	87.5	Confident	51 Å²	51	44.8 Å²	44.8	19%	0.192	21%	0.21	C	C	.	.			trans	-110.3	145.2	178.6	-71.4	177.5	68.2	-177.1	-2.3	110.3	N240 C241 L242 A263 N266 E358	N240-R268 PolarHBondContact O-NE 3.41Å; N240-R268 PolarHBondContact O-NH2 3.04Å; C241-R268 PolarHBondContact O-NH2 3.38Å; L242-R268 HydrophobicContact CD1-CB 4.18Å; L242-R268 VanDerWaalsContact CD2-CZ 3.5Å; L242-R268 HydrophobicContact CG-CB 4.26Å; A263-R268 PolarHBondContact O-N 3.01Å; A263-R268 VanDerWaalsContact O-N 3.1Å; N266-R268 HydrophobicContact CB-CG 4.34Å; N266-R268 PolarHBondContact O-N 3.43Å; R268-E358 IonicContact CZ-OE1 3.63Å; R268-E358 IonicContact NH1-OE1 3.04Å; R268-E358 PolarHBondContact NH1-OE1 3.42Å; R268-E358 IonicContact NH1-OE2 3.33Å; R268-E358 IonicContact NH2-OE1 3.64Å; R268-E358 IonicContact NH2-OE2 3.73Å
269	P	91.7	Very high	87.8	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.032	22%	0.223	C	C	.	.			trans	-66.1	153.3	173.1	22.5	-25.2	0	0	0	111	F238 Q239 C241 L242 Q295	F238-P269 HydrophobicContact CB-CB 3.81Å; F238-P269 HydrophobicContact CB-CG 3.73Å; F238-P269 HydrophobicContact CD1-CB 3.6Å; F238-P269 HydrophobicContact CD1-CG 4.24Å; F238-P269 HydrophobicContact CD2-CB 4.01Å; F238-P269 HydrophobicContact CE1-CB 4.12Å; F238-P269 HydrophobicContact CE2-CB 4.45Å; F238-P269 HydrophobicContact CG-CB 3.55Å; F238-P269 HydrophobicContact CG-CG 4.06Å; Q239-P269 WeakPolarHBondContact O-CD 3.07Å; Q239-P269 WeakPolarHBondContact O-CG 3.29Å; C241-P269 WeakPolarHBondContact CA-O 3.38Å; C241-P269 HydrophobicContact CB-CG 4.09Å; C241-P269 VanDerWaalsContact SG-C 3.58Å; C241-P269 PolarHBondContact SG-O 3.49Å; L242-P269 PolarHBondContact N-O 3.01Å; P269-Q295 VanDerWaalsContact CA-O 3.28Å; P269-Q295 WeakPolarHBondContact CA-O 3.32Å; P269-Q295 HydrophobicContact CB-CB 3.77Å
270	L	90.7	Very high	88.1	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.5	-179.9	179.4	74.1	0	0	0	110.9	L242 L244 V259 L260 A263 I272 Q295 V296 C297	L242-L270 HydrophobicContact CB-CD1 3.98Å; L242-L270 CarbonylContact O-C 3.49Å; L242-L270 WeakPolarHBondContact O-CA 3.48Å; L244-L270 HydrophobicContact CB-CD1 4.36Å; V259-L270 HydrophobicContact CG1-CD1 3.93Å; V259-L270 HydrophobicContact CG1-CD2 3.72Å; V259-L270 HydrophobicContact CG1-CG 4.49Å; L260-L270 HydrophobicContact CD2-CD2 3.88Å; A263-L270 HydrophobicContact CB-CB 3.88Å; A263-L270 HydrophobicContact CB-CD2 4.3Å; A263-L270 HydrophobicContact CB-CG 4.47Å; L270-I272 HydrophobicContact CD2-CD1 3.99Å; L270-I272 HydrophobicContact CD2-CG1 3.96Å; L270-I272 HydrophobicContact CG-CG1 4.04Å; L270-Q295 PolarHBondContact N-O 2.71Å; L270-V296 HydrophobicContact CB-CG1 4.27Å; L270-V296 VanDerWaalsContact O-CA 3.31Å; L270-V296 WeakPolarHBondContact O-CA 3.4Å; L270-C297 PolarHBondContact O-N 2.92Å; L270-C297 VanDerWaalsContact O-N 3.08Å
271	L	91.3	Very high	88.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128	168.9	-177.5	72.2	0	0	0	109.1	C241 L242 V243 L244 I273 C297 V299 V362 V364 T369 L371	C241-L271 PolarHBondContact SG-N 2.96Å; C241-L271 VanDerWaalsContact SG-N 3.4Å; L242-L271 PolarHBondContact O-N 3.27Å; V243-L271 CarbonylContact C-O 3.13Å; V243-L271 WeakPolarHBondContact CA-O 3.04Å; V243-L271 HydrophobicContact CG1-CD2 4.2Å; V243-L271 HydrophobicContact CG2-CB 4.3Å; V243-L271 HydrophobicContact CG2-CD2 4.26Å; L244-L271 PolarHBondContact N-O 3.2Å; L271-I273 HydrophobicContact CD2-CD1 3.93Å; L271-I273 HydrophobicContact CD2-CG1 4.09Å; L271-I273 HydrophobicContact CG-CG1 4.17Å; L271-C297 WeakPolarHBondContact CA-O 3.5Å; L271-C297 HydrophobicContact CD1-CB 4.04Å; L271-V299 HydrophobicContact CD1-CG2 3.84Å; L271-V362 HydrophobicContact CD1-CG1 4.29Å; L271-V362 HydrophobicContact CD2-CG1 3.87Å; L271-V362 HydrophobicContact CD2-CG2 4.36Å; L271-V364 HydrophobicContact CD1-CG2 3.95Å; L271-T369 HydrophobicContact CD2-CG2 4.48Å; L271-L371 HydrophobicContact CD2-CD2 3.54Å
272	I	90.9	Very high	88.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.3	177.9	-59.6	176.7	0	0	0	108.3	L244 I250 I256 L270 A274 V277 L285 C297 A298 V299	L244-I272 HydrophobicContact CB-CG1 4.38Å; L244-I272 HydrophobicContact CD2-CG1 4.36Å; L244-I272 HydrophobicContact CD2-CG2 4.24Å; I250-I272 HydrophobicContact CD1-CG2 3.8Å; I256-I272 HydrophobicContact CD1-CD1 3.55Å; I256-I272 HydrophobicContact CG1-CD1 3.95Å; L270-I272 HydrophobicContact CD2-CD1 3.99Å; L270-I272 HydrophobicContact CD2-CG1 3.96Å; L270-I272 HydrophobicContact CG-CG1 4.04Å; I272-A274 HydrophobicContact CG2-CB 4.43Å; I272-V277 HydrophobicContact CG2-CG2 4.2Å; I272-L285 HydrophobicContact CD1-CD1 4.25Å; I272-L285 HydrophobicContact CD1-CD2 4.15Å; I272-C297 PolarHBondContact N-O 3.49Å; I272-A298 WeakPolarHBondContact O-CA 3.39Å; I272-V299 PolarHBondContact O-N 3.01Å
273	I	90.6	Very high	89	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	105	175	-55.8	177.6	0	0	0	107.7	F218 V243 L244 F245 C246 L271 V299 A301 L312 M315	F218-I273 HydrophobicContact CE1-CD1 4.23Å; F218-I273 HydrophobicContact CZ-CD1 3.79Å; F218-I273 HydrophobicContact CZ-CG1 4.47Å; V243-I273 HydrophobicContact CG1-CD1 3.86Å; V243-I273 HydrophobicContact CG1-CG1 4.24Å; L244-I273 PolarHBondContact O-N 2.95Å; F245-I273 HydrophobicContact CD1-CB 4.24Å; F245-I273 HydrophobicContact CD1-CD1 4.28Å; F245-I273 HydrophobicContact CE1-CD1 3.8Å; C246-I273 PolarHBondContact N-O 3.45Å; L271-I273 HydrophobicContact CD2-CD1 3.93Å; L271-I273 HydrophobicContact CD2-CG1 4.09Å; L271-I273 HydrophobicContact CG-CG1 4.17Å; I273-V299 WeakPolarHBondContact CA-O 3.3Å; I273-A301 HydrophobicContact CG2-CB 4.21Å; I273-L312 HydrophobicContact CG2-CD2 3.84Å; I273-M315 HydrophobicContact CD1-SD 4.21Å; I273-M315 HydrophobicContact CG2-CE 4.3Å
274	A	87.9	Confident	89.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	165.2	-178	0	0	0	0	0	111.2	C246 I250 I272 D276 V277 V299 K300 A301	C246-A274 HydrophobicContact CB-CB 3.95Å; C246-A274 VanDerWaalsContact O-CA 3.31Å; C246-A274 WeakPolarHBondContact O-CA 3.42Å; I250-A274 HydrophobicContact CD1-CB 3.81Å; I250-A274 HydrophobicContact CG1-CB 4.03Å; I272-A274 HydrophobicContact CG2-CB 4.43Å; A274-D276 PolarHBondContact O-N 3.36Å; A274-V277 HydrophobicContact CB-CG2 3.8Å; A274-V299 PolarHBondContact N-O 3.08Å; A274-K300 CarbonylContact O-C 3.58Å; A274-K300 WeakPolarHBondContact O-CA 3.45Å; A274-A301 PolarHBondContact O-N 3.43Å
275	E	88.1	Confident	89.4	Confident	62 Å²	62	47.1 Å²	47.1	29%	0.29	24%	0.236	S	C	.	.	S	Bend	trans	-51.8	-48.9	171	164.4	170.5	179.4	0	0	111.3	E247 K248 K249 R308	E247-E275 WeakPolarHBondContact O-CB 3.41Å; K248-E275 PolarHBondContact O-N 2.96Å; K249-E275 HydrophobicContact CD-CG 4.4Å; K249-E275 VanDerWaalsContact CE-CD 3.49Å; K249-E275 WeakPolarHBondContact CE-OE1 3.32Å; K249-E275 HydrophobicContact CG-CB 4.01Å; K249-E275 HydrophobicContact CG-CG 3.64Å; K249-E275 IonicContact NZ-OE1 3.79Å; E275-R308 IonicContact OE1-NH1 2.71Å; E275-R308 PolarHBondContact OE1-NH1 3.21Å; E275-R308 IonicContact OE2-CZ 3.01Å; E275-R308 IonicContact OE2-NH1 2.71Å; E275-R308 PolarHBondContact OE2-NH1 2.98Å; E275-R308 IonicContact OE2-NH2 2.85Å; E275-R308 PolarHBondContact OE2-NH2 3.09Å
276	D	90.2	Very high	89.6	Confident	30 Å²	30	41.1 Å²	41.1	16%	0.16	21%	0.209	C	C	.	.			trans	-154.8	153.7	170	-146.2	-14.9	0	0	0	109.2	K249 I250 A274 K300	K249-D276 WeakPolarHBondContact CA-O 3.4Å; K249-D276 HydrophobicContact CD-CB 4.17Å; K249-D276 HydrophobicContact CG-CB 4Å; I250-D276 PolarHBondContact N-O 3.33Å; A274-D276 PolarHBondContact O-N 3.36Å; D276-K300 WeakPolarHBondContact OD1-CE 3.23Å; D276-K300 IonicContact OD1-NZ 2.65Å; D276-K300 PolarHBondContact OD1-NZ 2.95Å; D276-K300 IonicContact OD2-NZ 3.46Å; D276-K300 PolarHBondContact OD2-NZ 3.27Å
277	V	89.2	Confident	89.9	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-123.8	109	170.7	-175	0	0	0	0	107.3	I223 I250 I272 A274 A281 L282 L285 A298	I223-V277 HydrophobicContact CD1-CB 3.74Å; I223-V277 HydrophobicContact CD1-CG2 4.04Å; I250-V277 HydrophobicContact CB-CG2 4.43Å; I250-V277 HydrophobicContact CD1-CG2 4.47Å; I250-V277 WeakPolarHBondContact O-CA 3.38Å; I272-V277 HydrophobicContact CG2-CG2 4.2Å; A274-V277 HydrophobicContact CB-CG2 3.8Å; V277-A281 HydrophobicContact CG1-CB 4.33Å; V277-L282 HydrophobicContact CG1-CB 4.31Å; V277-L285 HydrophobicContact CG1-CD1 3.9Å; V277-A298 HydrophobicContact CB-CB 4.18Å; V277-A298 HydrophobicContact CG1-CB 4.39Å; V277-A298 HydrophobicContact CG2-CB 4.03Å
278	D	90.5	Very high	90.1	Very high	57 Å²	57	33 Å²	33	31%	0.305	18%	0.182	S	C	.	.			trans	-134.2	-175.5	-172.1	65.3	3.8	0	0	0	112.3	I250 S251 A281 L282	I250-D278 PolarHBondContact O-N 2.87Å; I250-D278 VanDerWaalsContact O-N 3.12Å; S251-D278 VanDerWaalsContact CB-OD1 3.3Å; S251-D278 WeakPolarHBondContact CB-OD1 3.26Å; S251-D278 PolarHBondContact OG-OD1 3.46Å; D278-A281 PolarHBondContact O-N 3.04Å; D278-L282 PolarHBondContact O-N 2.97Å
279	G	89.4	Confident	90	Very high	50 Å²	50	32.8 Å²	32.8	52%	0.515	18%	0.182	S	C	.	.	H	α-helix	trans	59.2	-135.8	174.8	0	0	0	0	0	115.2	A281 T283	G279-A281 VanDerWaalsContact C-N 3.34Å; G279-T283 PolarHBondContact O-N 3.01Å; G279-T283 PolarHBondContact O-OG1 2.78Å
280	E	91	Very high	89.9	Confident	136 Å²	136	37.3 Å²	37.3	64%	0.636	21%	0.205	S	C	*	.	H	α-helix	trans	-71.4	-30.8	-177.3	-62.9	-173.1	170.1	0	0	111.9	V253 T283 T284	V253-E280 HydrophobicContact CG2-CB 3.6Å; E280-T283 PolarHBondContact O-N 2.85Å; E280-T284 VanDerWaalsContact O-CB 3.29Å; E280-T284 WeakPolarHBondContact O-CB 3.43Å; E280-T284 PolarHBondContact O-N 2.87Å; E280-T284 PolarHBondContact O-OG1 3.16Å
281	A	89.2	Confident	89.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-50.5	177.2	0	0	0	0	0	111.5	I250 S251 V277 D278 G279 T283 T284 L285	I250-A281 HydrophobicContact CG2-CB 3.93Å; S251-A281 PolarHBondContact O-N 3.32Å; V277-A281 HydrophobicContact CG1-CB 4.33Å; D278-A281 PolarHBondContact O-N 3.04Å; G279-A281 VanDerWaalsContact C-N 3.34Å; A281-T283 PolarHBondContact O-N 3.05Å; A281-T284 PolarHBondContact O-N 3.3Å; A281-L285 WeakPolarHBondContact O-CG 3.48Å; A281-L285 PolarHBondContact O-N 2.95Å
282	L	91.6	Very high	89.4	Confident	36 Å²	36	50.1 Å²	50.1	19%	0.188	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-44.2	177.5	-177.3	65.8	0	0	0	111.9	I223 F227 V277 D278 T284 L285 V286	I223-L282 HydrophobicContact CB-CD1 4.46Å; I223-L282 HydrophobicContact CG2-CD1 4.07Å; I223-L282 HydrophobicContact CG2-CD2 3.92Å; F227-L282 HydrophobicContact CE2-CD1 4.03Å; F227-L282 HydrophobicContact CZ-CD1 3.96Å; V277-L282 HydrophobicContact CG1-CB 4.31Å; D278-L282 PolarHBondContact O-N 2.97Å; L282-T284 VanDerWaalsContact C-N 3.27Å; L282-T284 PolarHBondContact O-N 3Å; L282-L285 PolarHBondContact O-N 3.45Å; L282-V286 HydrophobicContact CD1-CG2 4.37Å; L282-V286 HydrophobicContact CG-CG2 4.49Å; L282-V286 WeakPolarHBondContact O-CG2 3.39Å; L282-V286 PolarHBondContact O-N 3.12Å
283	T	91.3	Very high	89	Confident	81 Å²	81	52 Å²	52	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-41.4	179	-56.5	0	0	0	0	110.9	G279 E280 A281 V286 L287	G279-T283 PolarHBondContact O-N 3.01Å; G279-T283 PolarHBondContact O-OG1 2.78Å; E280-T283 PolarHBondContact O-N 2.85Å; A281-T283 PolarHBondContact O-N 3.05Å; T283-V286 PolarHBondContact O-N 3.39Å; T283-L287 HydrophobicContact CG2-CD1 3.95Å; T283-L287 HydrophobicContact CG2-CG 4.43Å; T283-L287 WeakPolarHBondContact O-CB 3.16Å; T283-L287 VanDerWaalsContact O-CG 3.25Å; T283-L287 WeakPolarHBondContact O-CG 3.38Å; T283-L287 PolarHBondContact O-N 2.56Å
284	T	89.9	Confident	88.7	Confident	33 Å²	33	53.4 Å²	53.4	20%	0.202	30%	0.296	C	S	.	.	H	α-helix	trans	-66.1	-43.5	177.5	-59.2	0	0	0	0	111.6	V253 E280 A281 L282 L287 N288	V253-T284 HydrophobicContact CG1-CG2 4.14Å; V253-T284 WeakPolarHBondContact CG2-OG1 3.42Å; E280-T284 VanDerWaalsContact O-CB 3.29Å; E280-T284 WeakPolarHBondContact O-CB 3.43Å; E280-T284 PolarHBondContact O-N 2.87Å; E280-T284 PolarHBondContact O-OG1 3.16Å; A281-T284 PolarHBondContact O-N 3.3Å; L282-T284 VanDerWaalsContact C-N 3.27Å; L282-T284 PolarHBondContact O-N 3Å; T284-L287 PolarHBondContact O-N 3.19Å; T284-N288 VanDerWaalsContact CG2-ND2 3.3Å; T284-N288 WeakPolarHBondContact CG2-ND2 3.29Å; T284-N288 WeakPolarHBondContact O-CB 3.44Å; T284-N288 PolarHBondContact O-N 3.41Å; T284-N288 PolarHBondContact O-ND2 3.47Å
285	L	91	Very high	88.8	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-47.9	175.5	-71.7	173.6	0	0	0	111.9	F227 I256 L260 I272 V277 A281 L282 N288 R289 V296 A298	F227-L285 HydrophobicContact CE1-CB 4.04Å; F227-L285 HydrophobicContact CZ-CB 4.02Å; F227-L285 HydrophobicContact CZ-CD1 4.44Å; I256-L285 HydrophobicContact CD1-CD1 3.78Å; I256-L285 HydrophobicContact CD1-CD2 3.84Å; I256-L285 HydrophobicContact CD1-CG 3.91Å; I256-L285 HydrophobicContact CG1-CD2 4.41Å; L260-L285 HydrophobicContact CD1-CD2 4.03Å; L260-L285 HydrophobicContact CD2-CD2 3.81Å; L260-L285 HydrophobicContact CG-CD2 4.47Å; I272-L285 HydrophobicContact CD1-CD1 4.25Å; I272-L285 HydrophobicContact CD1-CD2 4.15Å; V277-L285 HydrophobicContact CG1-CD1 3.9Å; A281-L285 WeakPolarHBondContact O-CG 3.48Å; A281-L285 PolarHBondContact O-N 2.95Å; L282-L285 PolarHBondContact O-N 3.45Å; L285-N288 PolarHBondContact O-N 2.82Å; L285-R289 VanDerWaalsContact O-CB 3.28Å; L285-R289 WeakPolarHBondContact O-CB 3.44Å; L285-R289 PolarHBondContact O-N 3.41Å; L285-V296 HydrophobicContact CB-CG2 4.46Å; L285-V296 HydrophobicContact CD2-CB 4.31Å; L285-V296 HydrophobicContact CD2-CG2 4.08Å; L285-A298 HydrophobicContact CD1-CB 4.04Å
286	V	90.7	Very high	88.9	Confident	18 Å²	18	55.4 Å²	55.4	11%	0.109	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-43.9	-179.7	171.3	0	0	0	0	111	Y226 F227 L282 T283 R289 L290	Y226-V286 HydrophobicContact CD2-CG1 3.73Å; Y226-V286 HydrophobicContact CG-CG1 3.88Å; F227-V286 HydrophobicContact CE1-CG2 4.17Å; F227-V286 HydrophobicContact CZ-CG2 3.98Å; L282-V286 HydrophobicContact CD1-CG2 4.37Å; L282-V286 HydrophobicContact CG-CG2 4.49Å; L282-V286 WeakPolarHBondContact O-CG2 3.39Å; L282-V286 PolarHBondContact O-N 3.12Å; T283-V286 PolarHBondContact O-N 3.39Å; V286-R289 PolarHBondContact O-N 3.09Å; V286-L290 HydrophobicContact CG1-CD1 3.82Å; V286-L290 HydrophobicContact CG1-CG 4.42Å; V286-L290 WeakPolarHBondContact O-CB 3.13Å; V286-L290 WeakPolarHBondContact O-CG 3.12Å; V286-L290 PolarHBondContact O-N 2.82Å
287	L	90.2	Very high	89	Confident	78 Å²	78	54 Å²	54	41%	0.408	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-42	178.1	-75.6	173.6	0	0	0	112.2	T283 T284 L290 K291	T283-L287 HydrophobicContact CG2-CD1 3.95Å; T283-L287 HydrophobicContact CG2-CG 4.43Å; T283-L287 WeakPolarHBondContact O-CB 3.16Å; T283-L287 VanDerWaalsContact O-CG 3.25Å; T283-L287 WeakPolarHBondContact O-CG 3.38Å; T283-L287 PolarHBondContact O-N 2.56Å; T284-L287 PolarHBondContact O-N 3.19Å; L287-L290 PolarHBondContact O-N 3Å; L287-K291 VanDerWaalsContact O-CB 3.28Å; L287-K291 WeakPolarHBondContact O-CB 3.42Å; L287-K291 WeakPolarHBondContact O-CG 3.34Å; L287-K291 PolarHBondContact O-N 3.4Å
288	N	89	Confident	89.2	Confident	52 Å²	52	54 Å²	54	28%	0.278	30%	0.298	S	S	.	.	H	α-helix	trans	-67.9	-39	176.9	-77.8	-63.9	0	0	0	111.8	T284 L285 L290 V292 G293 L294	T284-N288 VanDerWaalsContact CG2-ND2 3.3Å; T284-N288 WeakPolarHBondContact CG2-ND2 3.29Å; T284-N288 WeakPolarHBondContact O-CB 3.44Å; T284-N288 PolarHBondContact O-N 3.41Å; T284-N288 PolarHBondContact O-ND2 3.47Å; L285-N288 PolarHBondContact O-N 2.82Å; N288-L290 VanDerWaalsContact C-N 3.34Å; N288-L290 PolarHBondContact O-N 3.14Å; N288-V292 WeakPolarHBondContact O-CA 3.34Å; N288-V292 VanDerWaalsContact O-CB 3.29Å; N288-V292 WeakPolarHBondContact O-CB 3.41Å; N288-V292 PolarHBondContact O-N 3.31Å; N288-G293 PolarHBondContact O-N 3.22Å; N288-G293 VanDerWaalsContact O-N 3.11Å; N288-L294 PolarHBondContact O-N 2.95Å
289	R	86.3	Confident	89.3	Confident	47 Å²	47	51.2 Å²	51.2	18%	0.177	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-41.6	173.4	175.4	62.2	-174.6	85	4.6	112.5	F227 I228 L285 V286 G293 L294 V296	F227-R289 HydrophobicContact CD1-CG 4.3Å; I228-R289 PolarHBondContact O-NH2 3.38Å; L285-R289 VanDerWaalsContact O-CB 3.28Å; L285-R289 WeakPolarHBondContact O-CB 3.44Å; L285-R289 PolarHBondContact O-N 3.41Å; V286-R289 PolarHBondContact O-N 3.09Å; R289-G293 WeakPolarHBondContact O-CA 3.42Å; R289-G293 PolarHBondContact O-N 3.13Å; R289-L294 WeakPolarHBondContact CD-O 3.35Å; R289-V296 HydrophobicContact CB-CG2 4.17Å
290	L	88.3	Confident	89.5	Confident	100 Å²	100	52.4 Å²	52.4	52%	0.524	27%	0.274	S	S	.	.	H	α-helix	trans	-81.2	-40.2	-177.7	-71	173.8	0	0	0	113.6	Y226 V286 L287 N288	Y226-L290 HydrophobicContact CD1-CD1 4.15Å; Y226-L290 HydrophobicContact CD1-CD2 4.38Å; Y226-L290 HydrophobicContact CG-CD1 4.36Å; V286-L290 HydrophobicContact CG1-CD1 3.82Å; V286-L290 HydrophobicContact CG1-CG 4.42Å; V286-L290 WeakPolarHBondContact O-CB 3.13Å; V286-L290 WeakPolarHBondContact O-CG 3.12Å; V286-L290 PolarHBondContact O-N 2.82Å; L287-L290 PolarHBondContact O-N 3Å; N288-L290 VanDerWaalsContact C-N 3.34Å; N288-L290 PolarHBondContact O-N 3.14Å
291	K	87.5	Confident	89.4	Confident	169 Å²	169	46 Å²	46	74%	0.735	25%	0.245	S	C	*	.	H	α-helix	trans	-90	-43.4	-175.3	-68.1	-175	175.9	179.9	0	113.5	L287	L287-K291 VanDerWaalsContact O-CB 3.28Å; L287-K291 WeakPolarHBondContact O-CB 3.42Å; L287-K291 WeakPolarHBondContact O-CG 3.34Å; L287-K291 PolarHBondContact O-N 3.4Å
292	V	83.6	Confident	89.2	Confident	101 Å²	101	46.5 Å²	46.5	61%	0.612	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-23.5	-175.7	-174.5	0	0	0	0	110.7	N288 L294	N288-V292 WeakPolarHBondContact O-CA 3.34Å; N288-V292 VanDerWaalsContact O-CB 3.29Å; N288-V292 WeakPolarHBondContact O-CB 3.41Å; N288-V292 PolarHBondContact O-N 3.31Å; V292-L294 VanDerWaalsContact C-N 3.31Å
293	G	82.6	Confident	88.8	Confident	41 Å²	41	45.9 Å²	45.9	42%	0.423	25%	0.25	S	C	.	.			trans	78.4	18.2	-173.4	0	0	0	0	0	112.8	N288 R289 Q295	N288-G293 PolarHBondContact O-N 3.22Å; N288-G293 VanDerWaalsContact O-N 3.11Å; R289-G293 WeakPolarHBondContact O-CA 3.42Å; R289-G293 PolarHBondContact O-N 3.13Å; G293-Q295 PolarHBondContact O-N 2.98Å
294	L	85.4	Confident	88.4	Confident	28 Å²	28	49.7 Å²	49.7	15%	0.147	26%	0.26	C	S	.	.			trans	-61.5	127.1	178.5	-167.7	73.7	0	0	0	109.8	L260 N264 N288 R289 V292 V296	L260-L294 HydrophobicContact CD2-CD2 3.82Å; N264-L294 HydrophobicContact CB-CD1 3.98Å; N288-L294 PolarHBondContact O-N 2.95Å; R289-L294 WeakPolarHBondContact CD-O 3.35Å; V292-L294 VanDerWaalsContact C-N 3.31Å; L294-V296 HydrophobicContact CD2-CG1 3.64Å; L294-V296 HydrophobicContact CG-CG1 3.89Å; L294-V296 PolarHBondContact O-N 2.78Å
295	Q	88.9	Confident	88.2	Confident	103 Å²	103	50.4 Å²	50.4	48%	0.481	27%	0.274	S	S	.	.			trans	-81.2	85.8	-177.2	-66.6	-174.8	-11.9	0	0	110.5	F238 P269 L270 G293	F238-Q295 HydrophobicContact CD1-CB 4.21Å; F238-Q295 HydrophobicContact CE1-CB 3.64Å; F238-Q295 HydrophobicContact CE1-CG 4.28Å; F238-Q295 HydrophobicContact CZ-CB 4.22Å; P269-Q295 VanDerWaalsContact CA-O 3.28Å; P269-Q295 WeakPolarHBondContact CA-O 3.32Å; P269-Q295 HydrophobicContact CB-CB 3.77Å; L270-Q295 PolarHBondContact N-O 2.71Å; G293-Q295 PolarHBondContact O-N 2.98Å
296	V	91.5	Very high	87.9	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.8	178.7	-65.4	0	0	0	0	111.2	F227 L260 L270 L285 R289 L294	F227-V296 WeakPolarHBondContact CD1-O 3.32Å; F227-V296 HydrophobicContact CE1-CG2 4.2Å; L260-V296 HydrophobicContact CD2-CG1 3.65Å; L270-V296 HydrophobicContact CB-CG1 4.27Å; L270-V296 VanDerWaalsContact O-CA 3.31Å; L270-V296 WeakPolarHBondContact O-CA 3.4Å; L285-V296 HydrophobicContact CB-CG2 4.46Å; L285-V296 HydrophobicContact CD2-CB 4.31Å; L285-V296 HydrophobicContact CD2-CG2 4.08Å; R289-V296 HydrophobicContact CB-CG2 4.17Å; L294-V296 HydrophobicContact CD2-CG1 3.64Å; L294-V296 HydrophobicContact CG-CG1 3.89Å; L294-V296 PolarHBondContact O-N 2.78Å
297	C	92.4	Very high	87.6	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.007	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.2	169.7	-173.1	0	0	0	0	109.6	F227 F238 L270 L271 I272	F227-C297 HydrophobicContact CB-CB 4.32Å; F227-C297 HydrophobicContact CG-CB 4.49Å; F238-C297 HydrophobicContact CE2-CB 3.52Å; F238-C297 HydrophobicContact CZ-CB 4.07Å; L270-C297 PolarHBondContact O-N 2.92Å; L270-C297 VanDerWaalsContact O-N 3.08Å; L271-C297 WeakPolarHBondContact CA-O 3.5Å; L271-C297 HydrophobicContact CD1-CB 4.04Å; I272-C297 PolarHBondContact N-O 3.49Å
298	A	92.8	Very high	87.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.6	175.5	0	0	0	0	0	110.4	I223 F227 I272 V277 L285	I223-A298 HydrophobicContact CD1-CB 4.1Å; I223-A298 PolarHBondContact N-O 2.88Å; F227-A298 HydrophobicContact CE2-CB 3.96Å; F227-A298 HydrophobicContact CZ-CB 4.16Å; I272-A298 WeakPolarHBondContact O-CA 3.39Å; V277-A298 HydrophobicContact CB-CB 4.18Å; V277-A298 HydrophobicContact CG1-CB 4.39Å; V277-A298 HydrophobicContact CG2-CB 4.03Å; L285-A298 HydrophobicContact CD1-CB 4.04Å
299	V	93.1	Very high	87.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.5	-176.8	178.8	0	0	0	0	108.8	F218 R220 L271 I272 I273 A274 V364 T369	F218-V299 HydrophobicContact CE2-CG1 3.63Å; F218-V299 HydrophobicContact CZ-CG1 4.08Å; R220-V299 HydrophobicContact CB-CG1 3.78Å; R220-V299 WeakPolarHBondContact O-CG1 3.35Å; L271-V299 HydrophobicContact CD1-CG2 3.84Å; I272-V299 PolarHBondContact O-N 3.01Å; I273-V299 WeakPolarHBondContact CA-O 3.3Å; A274-V299 PolarHBondContact N-O 3.08Å; V299-V364 HydrophobicContact CG2-CG1 3.73Å; V299-V364 HydrophobicContact CG2-CG2 4.13Å; V299-T369 WeakPolarHBondContact CG1-OG1 3.48Å
300	K	92.7	Very high	87.3	Confident	74 Å²	74	54 Å²	54	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	146.7	175	-57.5	-163.2	-174	-151.8	0	110.7	R220 I223 A274 D276	R220-K300 VanDerWaalsContact CB-O 3.27Å; R220-K300 WeakPolarHBondContact CB-O 3.38Å; R220-K300 VanDerWaalsContact CG-O 3.3Å; R220-K300 WeakPolarHBondContact CG-O 3.48Å; I223-K300 HydrophobicContact CD1-CG 3.89Å; I223-K300 HydrophobicContact CG1-CG 3.79Å; A274-K300 CarbonylContact O-C 3.58Å; A274-K300 WeakPolarHBondContact O-CA 3.45Å; D276-K300 WeakPolarHBondContact OD1-CE 3.23Å; D276-K300 IonicContact OD1-NZ 2.65Å; D276-K300 PolarHBondContact OD1-NZ 2.95Å; D276-K300 IonicContact OD2-NZ 3.46Å; D276-K300 PolarHBondContact OD2-NZ 3.27Å
301	A	88.4	Confident	87.2	Confident	3 Å²	3	49.7 Å²	49.7	3%	0.025	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-64.1	139.2	175.4	0	0	0	0	0	110.6	R220 I273 A274 R308 L312	R220-A301 PolarHBondContact NE-O 2.99Å; I273-A301 HydrophobicContact CG2-CB 4.21Å; A274-A301 PolarHBondContact O-N 3.43Å; A301-R308 HydrophobicContact CB-CG 3.74Å; A301-L312 HydrophobicContact CB-CD1 3.99Å; A301-L312 HydrophobicContact CB-CD2 4.07Å; A301-L312 HydrophobicContact CB-CG 4.18Å
302	P	86.6	Confident	87.2	Confident	10 Å²	10	42 Å²	42	7%	0.065	24%	0.236	C	C	.	.	S	Bend	trans	-74	147.5	176.6	30.4	-34.7	0	0	0	111.6	F218 R220 R308 T311 M315	F218-P302 HydrophobicContact CB-CB 3.89Å; F218-P302 HydrophobicContact CB-CG 4.1Å; F218-P302 HydrophobicContact CD2-CB 3.89Å; F218-P302 HydrophobicContact CD2-CG 3.89Å; F218-P302 HydrophobicContact CE2-CG 4.47Å; F218-P302 HydrophobicContact CG-CB 4.15Å; F218-P302 HydrophobicContact CG-CG 4.01Å; R220-P302 HydrophobicContact CG-CB 4.45Å; P302-R308 WeakPolarHBondContact O-CA 3.29Å; P302-R308 WeakPolarHBondContact O-CG 3.4Å; P302-T311 HydrophobicContact CB-CG2 4.47Å; P302-T311 HydrophobicContact CG-CG2 3.7Å; P302-M315 HydrophobicContact CG-CE 3.64Å; P302-M315 HydrophobicContact CG-SD 4.22Å
303	G	82.6	Confident	87.3	Confident	22 Å²	22	40.9 Å²	40.9	23%	0.227	22%	0.224	C	C	.	.	S	Bend	trans	82	-175.4	180	0	0	0	0	0	114.8
304	F	83.4	Confident	87.5	Confident	162 Å²	162	39.1 Å²	39.1	71%	0.711	21%	0.205	S	C	*	.	S	Bend	trans	-137.8	152.6	-179.3	-64.3	-85.4	0	0	0	110.1	D306 N307 R308	F304-D306 PolarHBondContact O-N 3.4Å; F304-N307 WeakPolarHBondContact O-CB 3.33Å; F304-N307 PolarHBondContact O-N 3.08Å; F304-R308 PolarHBondContact O-N 3.13Å
305	G	84.9	Confident	87.5	Confident	47 Å²	47	37.8 Å²	37.8	49%	0.485	20%	0.198	S	C	.	.	H	α-helix	trans	54.8	-135	177.1	0	0	0	0	0	113.1	N307 R308	G305-N307 VanDerWaalsContact C-N 3.3Å; G305-N307 PolarHBondContact O-N 3.1Å; G305-R308 WeakPolarHBondContact O-CB 3.3Å; G305-R308 PolarHBondContact O-N 3.29Å
306	D	84.5	Confident	87.4	Confident	104 Å²	104	32.9 Å²	32.9	56%	0.556	18%	0.175	S	C	*	.	H	α-helix	trans	-66.9	-30.4	-179.1	-61.1	-37.6	0	0	0	113.1	F304 R308 K309 N310	F304-D306 PolarHBondContact O-N 3.4Å; D306-R308 PolarHBondContact O-N 3.17Å; D306-K309 PolarHBondContact O-N 3.37Å; D306-N310 WeakPolarHBondContact O-CB 3.42Å; D306-N310 PolarHBondContact O-N 3.34Å; D306-N310 PolarHBondContact O-ND2 3.33Å
307	N	84.5	Confident	87.1	Confident	44 Å²	44	34.4 Å²	34.4	24%	0.235	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-35.7	175.5	-170.5	36.5	0	0	0	111.5	F304 G305 T311 R407	F304-N307 WeakPolarHBondContact O-CB 3.33Å; F304-N307 PolarHBondContact O-N 3.08Å; G305-N307 VanDerWaalsContact C-N 3.3Å; G305-N307 PolarHBondContact O-N 3.1Å; N307-T311 WeakPolarHBondContact O-CB 3.36Å; N307-T311 PolarHBondContact O-N 3.02Å; N307-T311 PolarHBondContact O-OG1 3.43Å; N307-R407 WeakPolarHBondContact OD1-CD 3.33Å
308	R	86.2	Confident	86.7	Confident	35 Å²	35	35.4 Å²	35.4	13%	0.132	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-46.3	175.3	-176.4	-178.8	74.9	-170.5	10.5	111.7	E247 E275 A301 P302 F304 G305 D306 T311 L312	E247-R308 PolarHBondContact O-NH2 3.27Å; E275-R308 IonicContact OE1-NH1 2.71Å; E275-R308 PolarHBondContact OE1-NH1 3.21Å; E275-R308 IonicContact OE2-CZ 3.01Å; E275-R308 IonicContact OE2-NH1 2.71Å; E275-R308 PolarHBondContact OE2-NH1 2.98Å; E275-R308 IonicContact OE2-NH2 2.85Å; E275-R308 PolarHBondContact OE2-NH2 3.09Å; A301-R308 HydrophobicContact CB-CG 3.74Å; P302-R308 WeakPolarHBondContact O-CA 3.29Å; P302-R308 WeakPolarHBondContact O-CG 3.4Å; F304-R308 PolarHBondContact O-N 3.13Å; G305-R308 WeakPolarHBondContact O-CB 3.3Å; G305-R308 PolarHBondContact O-N 3.29Å; D306-R308 PolarHBondContact O-N 3.17Å; R308-T311 PolarHBondContact O-N 3.43Å; R308-L312 HydrophobicContact CG-CD1 4.11Å; R308-L312 WeakPolarHBondContact O-CB 3.43Å; R308-L312 WeakPolarHBondContact O-CG 3.34Å; R308-L312 PolarHBondContact O-N 3.03Å
309	K	85.9	Confident	86.2	Confident	46 Å²	46	35.5 Å²	35.5	20%	0.2	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-46.4	179.4	-55.3	-174.3	-171.9	-144.1	0	111	E247 D306 T311 L312 H313 V338	E247-K309 HydrophobicContact CG-CG 4.19Å; E247-K309 WeakPolarHBondContact OE1-CD 3.5Å; E247-K309 WeakPolarHBondContact OE1-CE 3.28Å; E247-K309 IonicContact OE1-NZ 2.91Å; E247-K309 PolarHBondContact OE1-NZ 3Å; D306-K309 PolarHBondContact O-N 3.37Å; K309-T311 VanDerWaalsContact C-N 3.35Å; K309-T311 PolarHBondContact O-N 3.23Å; K309-L312 PolarHBondContact O-N 3.22Å; K309-H313 WeakPolarHBondContact O-CB 3.39Å; K309-H313 PolarHBondContact O-N 3.31Å; K309-V338 HydrophobicContact CD-CG1 3.47Å; K309-V338 VanDerWaalsContact CD-CG1 3.47Å; K309-V338 HydrophobicContact CD-CG2 4.41Å
310	N	87.2	Confident	85.3	Confident	44 Å²	44	37.4 Å²	37.4	24%	0.235	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-40.1	177.5	-73.7	-27.1	0	0	0	112.2	D306 H313 D314	D306-N310 WeakPolarHBondContact O-CB 3.42Å; D306-N310 PolarHBondContact O-N 3.34Å; D306-N310 PolarHBondContact O-ND2 3.33Å; N310-H313 WeakPolarHBondContact O-CB 3.37Å; N310-H313 PolarHBondContact O-N 3.14Å; N310-D314 PolarHBondContact O-N 3.35Å
311	T	86.6	Confident	83.6	Confident	8 Å²	8	34.2 Å²	34.2	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-37.6	177	-52.7	0	0	0	0	112.1	P302 N307 R308 K309 H313 D314 M315	P302-T311 HydrophobicContact CB-CG2 4.47Å; P302-T311 HydrophobicContact CG-CG2 3.7Å; N307-T311 WeakPolarHBondContact O-CB 3.36Å; N307-T311 PolarHBondContact O-N 3.02Å; N307-T311 PolarHBondContact O-OG1 3.43Å; R308-T311 PolarHBondContact O-N 3.43Å; K309-T311 VanDerWaalsContact C-N 3.35Å; K309-T311 PolarHBondContact O-N 3.23Å; T311-H313 VanDerWaalsContact C-N 3.3Å; T311-H313 PolarHBondContact O-N 3.45Å; T311-D314 WeakPolarHBondContact O-CB 3.24Å; T311-D314 PolarHBondContact O-N 2.92Å; T311-M315 HydrophobicContact CG2-CE 4.32Å; T311-M315 WeakPolarHBondContact O-CG 3.49Å; T311-M315 PolarHBondContact O-N 3.3Å
312	L	87.3	Confident	81.9	Confident	9 Å²	9	36.1 Å²	36.1	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-42.5	171.8	-80.2	166.4	0	0	0	111.5	F245 I273 A301 R308 K309 M315 A316	F245-L312 HydrophobicContact CD1-CD2 4Å; I273-L312 HydrophobicContact CG2-CD2 3.84Å; A301-L312 HydrophobicContact CB-CD1 3.99Å; A301-L312 HydrophobicContact CB-CD2 4.07Å; A301-L312 HydrophobicContact CB-CG 4.18Å; R308-L312 HydrophobicContact CG-CD1 4.11Å; R308-L312 WeakPolarHBondContact O-CB 3.43Å; R308-L312 WeakPolarHBondContact O-CG 3.34Å; R308-L312 PolarHBondContact O-N 3.03Å; K309-L312 PolarHBondContact O-N 3.22Å; L312-M315 HydrophobicContact CB-CE 4.49Å; L312-M315 HydrophobicContact CD2-CE 3.68Å; L312-M315 HydrophobicContact CG-CE 4.13Å; L312-M315 PolarHBondContact O-N 3.33Å; L312-A316 WeakPolarHBondContact O-CB 3.33Å; L312-A316 PolarHBondContact O-N 3.32Å
313	H	85.8	Confident	79.9	Confident	77 Å²	77	37.2 Å²	37.2	36%	0.356	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-41.8	174.9	-172.9	-88.3	0	0	0	112.2	K309 N310 T311 M315 A316 I317	K309-H313 WeakPolarHBondContact O-CB 3.39Å; K309-H313 PolarHBondContact O-N 3.31Å; N310-H313 WeakPolarHBondContact O-CB 3.37Å; N310-H313 PolarHBondContact O-N 3.14Å; T311-H313 VanDerWaalsContact C-N 3.3Å; T311-H313 PolarHBondContact O-N 3.45Å; H313-M315 PolarHBondContact O-N 3Å; H313-A316 PolarHBondContact O-N 3.36Å; H313-I317 WeakPolarHBondContact CE1-CD1 3.49Å; H313-I317 WeakPolarHBondContact ND1-CD1 3.44Å; H313-I317 WeakPolarHBondContact O-CG1 3.32Å; H313-I317 PolarHBondContact O-N 2.93Å
314	D	86.8	Confident	77.4	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-43.8	175.6	-60.5	-15.7	0	0	0	111.7	N310 T311 I317 A318 R384 R407 L411	N310-D314 PolarHBondContact O-N 3.35Å; T311-D314 WeakPolarHBondContact O-CB 3.24Å; T311-D314 PolarHBondContact O-N 2.92Å; D314-I317 PolarHBondContact O-N 3.2Å; D314-A318 WeakPolarHBondContact O-CB 3.36Å; D314-A318 PolarHBondContact O-N 3.06Å; D314-R384 IonicContact OD1-CZ 3.73Å; D314-R384 IonicContact OD1-NE 3.66Å; D314-R384 PolarHBondContact OD1-NE 3.46Å; D314-R384 IonicContact OD1-NH2 2.86Å; D314-R384 PolarHBondContact OD1-NH2 3.47Å; D314-R407 IonicContact OD1-NH2 2.69Å; D314-R407 PolarHBondContact OD1-NH2 3.23Å; D314-R407 VanDerWaalsContact OD1-NH2 3.08Å; D314-R407 IonicContact OD2-CZ 3.64Å; D314-R407 IonicContact OD2-NE 3.4Å; D314-R407 PolarHBondContact OD2-NE 3.23Å; D314-R407 IonicContact OD2-NH2 2.58Å; D314-R407 PolarHBondContact OD2-NH2 3.12Å; D314-L411 HydrophobicContact CB-CD1 4.1Å; D314-L411 HydrophobicContact CB-CD2 4.24Å; D314-L411 HydrophobicContact CB-CG 4.42Å
315	M	86	Confident	75.3	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-40.5	176.2	-75.2	-174.6	-69.7	0	0	112.4	M216 F218 F245 I273 P302 T311 L312 H313 A318 T319	M216-M315 HydrophobicContact CE-CB 4.19Å; M216-M315 HydrophobicContact CE-CG 3.24Å; M216-M315 HydrophobicContact CE-SD 4.4Å; M216-M315 HydrophobicContact SD-CB 4.14Å; M216-M315 HydrophobicContact SD-CG 3.58Å; M216-M315 VanDerWaalsContact SD-CG 3.58Å; F218-M315 HydrophobicContact CD1-SD 3.9Å; F218-M315 HydrophobicContact CE1-SD 3.72Å; F218-M315 HydrophobicContact CZ-SD 4.25Å; F245-M315 HydrophobicContact CD1-CB 4.32Å; F245-M315 HydrophobicContact CE1-CB 3.48Å; F245-M315 VanDerWaalsContact CE1-CB 3.48Å; F245-M315 HydrophobicContact CE1-CE 4.5Å; F245-M315 HydrophobicContact CE1-CG 4.45Å; F245-M315 HydrophobicContact CE1-SD 4.39Å; F245-M315 HydrophobicContact CZ-CB 3.86Å; I273-M315 HydrophobicContact CD1-SD 4.21Å; I273-M315 HydrophobicContact CG2-CE 4.3Å; P302-M315 HydrophobicContact CG-CE 3.64Å; P302-M315 HydrophobicContact CG-SD 4.22Å; T311-M315 HydrophobicContact CG2-CE 4.32Å; T311-M315 WeakPolarHBondContact O-CG 3.49Å; T311-M315 PolarHBondContact O-N 3.3Å; L312-M315 HydrophobicContact CB-CE 4.49Å; L312-M315 HydrophobicContact CD2-CE 3.68Å; L312-M315 HydrophobicContact CG-CE 4.13Å; L312-M315 PolarHBondContact O-N 3.33Å; H313-M315 PolarHBondContact O-N 3Å; M315-A318 PolarHBondContact O-N 3.41Å; M315-T319 WeakPolarHBondContact O-CB 3.1Å; M315-T319 VanDerWaalsContact O-CG2 3.31Å; M315-T319 WeakPolarHBondContact O-CG2 3.36Å; M315-T319 PolarHBondContact O-N 3.13Å; M315-T319 PolarHBondContact O-OG1 3.28Å
316	A	86	Confident	72.5	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-46.7	179.6	0	0	0	0	0	111.3	F245 L312 H313 A318 T319 G320 G321 A323	F245-A316 HydrophobicContact CD2-CB 3.93Å; F245-A316 HydrophobicContact CE2-CB 4.03Å; F245-A316 HydrophobicContact CG-CB 4.44Å; L312-A316 WeakPolarHBondContact O-CB 3.33Å; L312-A316 PolarHBondContact O-N 3.32Å; H313-A316 PolarHBondContact O-N 3.36Å; A316-A318 VanDerWaalsContact C-N 3.31Å; A316-A318 PolarHBondContact O-N 3.45Å; A316-T319 PolarHBondContact O-N 3.04Å; A316-T319 PolarHBondContact O-OG1 3.3Å; A316-G320 PolarHBondContact O-N 3.18Å; A316-G321 CarbonylContact C-O 3.44Å; A316-G321 VanDerWaalsContact CB-O 3.3Å; A316-G321 WeakPolarHBondContact CB-O 3.4Å; A316-G321 PolarHBondContact O-N 3.46Å; A316-A323 HydrophobicContact CB-CB 3.3Å; A316-A323 VanDerWaalsContact CB-N 3.3Å
317	I	85.7	Confident	69.8	Low	33 Å²	33	36.6 Å²	36.6	17%	0.169	23%	0.227	C	C	.	.	H	α-helix	trans	-55.7	-47	173.5	-69.5	172.4	0	0	0	111.2	H313 D314 T319 G320 G376 D380 V381 R384	H313-I317 WeakPolarHBondContact CE1-CD1 3.49Å; H313-I317 WeakPolarHBondContact ND1-CD1 3.44Å; H313-I317 WeakPolarHBondContact O-CG1 3.32Å; H313-I317 PolarHBondContact O-N 2.93Å; D314-I317 PolarHBondContact O-N 3.2Å; I317-T319 VanDerWaalsContact C-N 3.31Å; I317-T319 PolarHBondContact O-N 2.97Å; I317-G320 PolarHBondContact O-N 2.91Å; I317-G376 WeakPolarHBondContact O-CA 3.2Å; I317-D380 HydrophobicContact CG2-CB 3.71Å; I317-V381 HydrophobicContact CG2-CG2 3.97Å; I317-R384 HydrophobicContact CD1-CB 4.08Å; I317-R384 HydrophobicContact CD1-CG 4Å
318	A	84.1	Confident	67	Low	21 Å²	21	40.1 Å²	40.1	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-33.9	-178.4	0	0	0	0	0	113.2	M216 D314 M315 A316 G374 G376 L411	M216-A318 HydrophobicContact SD-CB 4.02Å; D314-A318 WeakPolarHBondContact O-CB 3.36Å; D314-A318 PolarHBondContact O-N 3.06Å; M315-A318 PolarHBondContact O-N 3.41Å; A316-A318 VanDerWaalsContact C-N 3.31Å; A316-A318 PolarHBondContact O-N 3.45Å; A318-G374 CarbonylContact O-C 2.9Å; A318-G374 WeakPolarHBondContact O-CA 3.34Å; A318-G376 WeakPolarHBondContact O-CA 3.5Å; A318-G376 PolarHBondContact O-N 3.36Å; A318-G376 VanDerWaalsContact O-N 3.1Å; A318-L411 HydrophobicContact CB-CD2 4.24Å
319	T	82.5	Confident	64.1	Low	2 Å²	2	43 Å²	43	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-91	-4.6	-179.4	57.5	0	0	0	0	113.6	F245 M315 A316 I317 G321 E358 V359 L371	F245-T319 WeakPolarHBondContact CE2-OG1 3.37Å; F245-T319 HydrophobicContact CZ-CG2 4.12Å; F245-T319 WeakPolarHBondContact CZ-OG1 3.14Å; M315-T319 WeakPolarHBondContact O-CB 3.1Å; M315-T319 VanDerWaalsContact O-CG2 3.31Å; M315-T319 WeakPolarHBondContact O-CG2 3.36Å; M315-T319 PolarHBondContact O-N 3.13Å; M315-T319 PolarHBondContact O-OG1 3.28Å; A316-T319 PolarHBondContact O-N 3.04Å; A316-T319 PolarHBondContact O-OG1 3.3Å; I317-T319 VanDerWaalsContact C-N 3.31Å; I317-T319 PolarHBondContact O-N 2.97Å; T319-G321 PolarHBondContact O-N 2.86Å; T319-E358 PolarHBondContact O-N 3.37Å; T319-E358 VanDerWaalsContact O-O 3.09Å; T319-V359 HydrophobicContact CG2-CG2 3.39Å; T319-L371 HydrophobicContact CG2-CD1 4.15Å
320	G	73	Confident	61.3	Low	41 Å²	41	48.5 Å²	48.5	42%	0.423	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	7.5	-172.8	0	0	0	0	0	113.4	A316 I317	A316-G320 PolarHBondContact O-N 3.18Å; I317-G320 PolarHBondContact O-N 2.91Å
321	G	58.4	Low	58.4	Low	6 Å²	6	53.7 Å²	53.7	6%	0.062	34%	0.339	C	S	.	.			trans	-73.4	140.4	169.6	0	0	0	0	0	108.9	A316 T319 A323	A316-G321 CarbonylContact C-O 3.44Å; A316-G321 VanDerWaalsContact CB-O 3.3Å; A316-G321 WeakPolarHBondContact CB-O 3.4Å; A316-G321 PolarHBondContact O-N 3.46Å; T319-G321 PolarHBondContact O-N 2.86Å; G321-A323 PolarHBondContact O-N 2.86Å
322	T	53	Low	55.5	Low	44 Å²	44	63.4 Å²	63.4	27%	0.27	38%	0.38	S	S	.	.			trans	-70.4	122.4	161.2	39.7	0	0	0	0	106.1	C324 P325 D355	T322-C324 PolarHBondContact O-N 3Å; T322-P325 WeakPolarHBondContact CG2-O 3.27Å; T322-D355 PolarHBondContact N-O 3.39Å; T322-D355 VanDerWaalsContact OG1-CA 3.24Å; T322-D355 WeakPolarHBondContact OG1-CA 3.47Å; T322-D355 PolarHBondContact OG1-O 2.86Å; T322-D355 PolarHBondContact OG1-OD1 3Å
323	A	44	Very low	52.6	Low	32 Å²	32	69 Å²	69	26%	0.264	41%	0.409	S	S	.	.	S	Bend	trans	-69.2	62.7	161.5	0	0	0	0	0	106.7	A316 G321 P325	A316-A323 HydrophobicContact CB-CB 3.3Å; A316-A323 VanDerWaalsContact CB-N 3.3Å; G321-A323 PolarHBondContact O-N 2.86Å; A323-P325 WeakPolarHBondContact O-CD 3.25Å
324	C	30.7	Very low	49.7	Very low	68 Å²	68	71.2 Å²	71.2	46%	0.459	43%	0.428	S	S	.	.	S	Bend	trans	37.6	75.3	-166.1	-101.1	0	0	0	0	112.6	T322	T322-C324 PolarHBondContact O-N 3Å
325	P	37.3	Very low	46.8	Very low	70 Å²	70	78 Å²	78	46%	0.455	46%	0.464	S	S	.	.				-145.3	117.1	127	27.6	-7.4	0	0	0	112.9	T322 A323 C327	T322-P325 WeakPolarHBondContact CG2-O 3.27Å; A323-P325 WeakPolarHBondContact O-CD 3.25Å; P325-C327 PolarHBondContact O-N 2.75Å
326	V	27.7	Very low	43.8	Very low	76 Å²	76	82.9 Å²	82.9	46%	0.461	50%	0.497	S	S	.	.			trans	-66.7	97.7	159.6	-179.8	0	0	0	0	108	D355	V326-D355 VanDerWaalsContact CG2-OD1 3.24Å; V326-D355 WeakPolarHBondContact CG2-OD1 3.47Å
327	C	27.5	Very low	40.9	Very low	109 Å²	109	88.7 Å²	88.7	74%	0.736	53%	0.533	S	S	*	.			trans	-139.9	70.9	163.8	-82	0	0	0	0	109.6	P325 S329	P325-C327 PolarHBondContact O-N 2.75Å; C327-S329 PolarHBondContact O-N 3.33Å; C327-S329 VanDerWaalsContact O-N 3.09Å
328	S	24.5	Very low	38.1	Very low	117 Å²	117	90.7 Å²	90.7	82%	0.818	55%	0.547	S	S	*	.			trans	-77.7	74.4	159.1	57.3	0	0	0	0	109.6
329	S	27	Very low	35.3	Very low	95 Å²	95	94.2 Å²	94.2	66%	0.664	57%	0.566	S	S	*	*	S	Bend	trans	-162.8	117.1	155.9	46.4	0	0	0	0	107.4	C327	C327-S329 PolarHBondContact O-N 3.33Å; C327-S329 VanDerWaalsContact O-N 3.09Å
330	L	27.3	Very low	32.7	Very low	163 Å²	163	97.7 Å²	97.7	85%	0.853	60%	0.595	S	S	*	*	S	Bend	trans	-45.5	144.1	174.1	-63.7	104.2	0	0	0	110.4
331	D	25.6	Very low	30.6	Very low	153 Å²	153	101.8 Å²	101.8	82%	0.818	61%	0.607	S	S	*	*			trans	120.6	13.5	162.4	-56.3	-18.9	0	0	0	119.1
332	K	25.2	Very low	29.4	Very low	211 Å²	211	110.2 Å²	110.2	92%	0.917	65%	0.645	S	S	*	*			trans	-135.7	72.9	164.7	-69.6	-171	-178.9	178.6	0	113.4
333	I	26	Very low	28.9	Very low	128 Å²	128	112 Å²	112	66%	0.656	67%	0.665	S	S	*	*			trans	-98.2	88.4	166.3	-62.3	158	0	0	0	107.2
334	T	26.1	Very low	28.8	Very low	122 Å²	122	118.3 Å²	118.3	75%	0.748	69%	0.694	S	S	*	*			trans	-168.2	126.7	153.5	-12	0	0	0	0	110.2
335	L	24.5	Very low	29.6	Very low	147 Å²	147	120 Å²	120	77%	0.77	70%	0.697	S	S	*	*			trans	69.4	111.3	154.2	-67.9	144.4	0	0	0	119.7
336	S	24.1	Very low	30.4	Very low	101 Å²	101	119.2 Å²	119.2	71%	0.706	69%	0.692	S	S	*	*			trans	42.9	102.2	137	63.9	0	0	0	0	118
337	T	25.8	Very low	31.9	Very low	124 Å²	124	121.8 Å²	121.8	76%	0.761	70%	0.696	S	S	*	*			trans	-138.5	71.4	150.4	35.9	0	0	0	0	110.8	V339	T337-V339 HydrophobicContact CG2-CB 4.48Å; T337-V339 HydrophobicContact CG2-CG2 3.48Å; T337-V339 VanDerWaalsContact CG2-CG2 3.48Å; T337-V339 PolarHBondContact O-N 3.45Å; T337-V339 VanDerWaalsContact O-N 3.17Å
338	V	25.3	Very low	33.6	Very low	75 Å²	75	118.1 Å²	118.1	46%	0.455	67%	0.669	S	S	.	*			trans	-70	86.1	138.4	177.3	0	0	0	0	105.4	K309	K309-V338 HydrophobicContact CD-CG1 3.47Å; K309-V338 VanDerWaalsContact CD-CG1 3.47Å; K309-V338 HydrophobicContact CD-CG2 4.41Å
339	V	26.5	Very low	35.4	Very low	94 Å²	94	116.8 Å²	116.8	57%	0.57	65%	0.65	S	S	*	*			trans	-115.2	103.6	175.6	176	0	0	0	0	107.5	T337 D341	T337-V339 HydrophobicContact CG2-CB 4.48Å; T337-V339 HydrophobicContact CG2-CG2 3.48Å; T337-V339 VanDerWaalsContact CG2-CG2 3.48Å; T337-V339 PolarHBondContact O-N 3.45Å; T337-V339 VanDerWaalsContact O-N 3.17Å; V339-D341 VanDerWaalsContact C-N 3.31Å; V339-D341 HydrophobicContact CG1-CB 4.29Å; V339-D341 PolarHBondContact O-N 3.49Å; V339-D341 VanDerWaalsContact O-N 3.09Å
340	A	27	Very low	37.3	Very low	76 Å²	76	117.4 Å²	117.4	63%	0.628	65%	0.646	S	S	*	*			trans	-52.6	104.1	143.3	0	0	0	0	0	107.1
341	D	28.7	Very low	39.2	Very low	127 Å²	127	110.4 Å²	110.4	68%	0.679	61%	0.61	S	S	*	*	S	Bend	trans	155.9	97.7	152.9	-78.6	-14.8	0	0	0	111	V339 A343	V339-D341 VanDerWaalsContact C-N 3.31Å; V339-D341 HydrophobicContact CG1-CB 4.29Å; V339-D341 PolarHBondContact O-N 3.49Å; V339-D341 VanDerWaalsContact O-N 3.09Å; D341-A343 VanDerWaalsContact C-N 3.33Å; D341-A343 PolarHBondContact O-N 3.22Å
342	E	33.9	Very low	41.5	Very low	182 Å²	182	108.4 Å²	108.4	85%	0.85	60%	0.596	S	S	*	*	S	Bend	trans	51.3	-2.5	133.6	-58.2	-167.2	153.7	0	0	123.6
343	A	41.9	Very low	44	Very low	83 Å²	83	101.4 Å²	101.4	69%	0.686	57%	0.568	S	S	*	*	S	Bend	trans	-105.9	-22.8	-169.7	0	0	0	0	0	118.1	D341	D341-A343 VanDerWaalsContact C-N 3.33Å; D341-A343 PolarHBondContact O-N 3.22Å
344	N	41.7	Very low	46.4	Very low	163 Å²	163	100.4 Å²	100.4	87%	0.872	56%	0.56	S	S	*	*			trans	-139.6	37.7	-178.1	-80.7	-32.3	0	0	0	113.1	V346	N344-V346 PolarHBondContact O-N 2.93Å
345	L	49.1	Very low	48.8	Very low	103 Å²	103	95.2 Å²	95.2	54%	0.539	53%	0.528	S	S	.	.			trans	-71.7	98.4	173.2	-78.4	150.1	0	0	0	109.1	K347	L345-K347 PolarHBondContact O-N 3.25Å; L345-K347 VanDerWaalsContact O-N 3.08Å
346	V	53.9	Low	51.5	Low	55 Å²	55	88.5 Å²	88.5	33%	0.333	49%	0.493	S	S	.	.			trans	-58.7	115.6	159	-179.7	0	0	0	0	105.8	N344 D350	N344-V346 PolarHBondContact O-N 2.93Å; V346-D350 HydrophobicContact CG1-CB 4.43Å
347	K	58.3	Low	54.4	Low	129 Å²	129	83.7 Å²	83.7	56%	0.561	46%	0.459	S	S	*	.			trans	-63.6	143.6	174.5	-69.3	-179.9	178.2	-179.8	0	107.5	L345 E349 D350	L345-K347 PolarHBondContact O-N 3.25Å; L345-K347 VanDerWaalsContact O-N 3.08Å; K347-E349 HydrophobicContact CB-CB 4.33Å; K347-E349 PolarHBondContact O-N 2.97Å; K347-D350 PolarHBondContact O-N 3.15Å
348	I	63.4	Low	57.3	Low	33 Å²	33	80.1 Å²	80.1	17%	0.169	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-55.2	-30.2	176.5	-53.1	172.8	0	0	0	110	E255 V259 D350 T351	E255-I348 HydrophobicContact CB-CB 4.28Å; E255-I348 HydrophobicContact CB-CD1 4.04Å; E255-I348 HydrophobicContact CB-CG2 4.43Å; E255-I348 HydrophobicContact CG-CD1 4.29Å; E255-I348 WeakPolarHBondContact O-CG2 3.49Å; V259-I348 HydrophobicContact CG2-CG2 4.12Å; I348-D350 VanDerWaalsContact C-N 3.28Å; I348-D350 PolarHBondContact O-N 2.7Å; I348-T351 WeakPolarHBondContact O-CB 3.24Å; I348-T351 WeakPolarHBondContact O-CG2 3.35Å; I348-T351 PolarHBondContact O-N 3.25Å; I348-T351 PolarHBondContact O-OG1 3.44Å
349	E	61.9	Low	60.3	Low	89 Å²	89	76.6 Å²	76.6	42%	0.416	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-61.4	-29.8	176.8	-59.5	175	174.1	0	0	114.2	K347	K347-E349 HydrophobicContact CB-CB 4.33Å; K347-E349 PolarHBondContact O-N 2.97Å
350	D	67.3	Low	63.2	Low	107 Å²	107	75.8 Å²	75.8	57%	0.572	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-98.7	9.8	-175.8	-63.2	-41.9	0	0	0	112.9	V346 K347 I348	V346-D350 HydrophobicContact CG1-CB 4.43Å; K347-D350 PolarHBondContact O-N 3.15Å; I348-D350 VanDerWaalsContact C-N 3.28Å; I348-D350 PolarHBondContact O-N 2.7Å
351	T	68.1	Low	66.1	Low	16 Å²	16	74.5 Å²	74.5	10%	0.098	38%	0.383	C	S	.	.			trans	-64.2	137	-178.6	48.6	0	0	0	0	111.1	V259 M262 I348	V259-T351 WeakPolarHBondContact CG2-OG1 3.45Å; M262-T351 WeakPolarHBondContact CE-O 3.17Å; M262-T351 WeakPolarHBondContact CE-OG1 3.38Å; M262-T351 VanDerWaalsContact SD-O 3.38Å; I348-T351 WeakPolarHBondContact O-CB 3.24Å; I348-T351 WeakPolarHBondContact O-CG2 3.35Å; I348-T351 PolarHBondContact O-N 3.25Å; I348-T351 PolarHBondContact O-OG1 3.44Å
352	Q	73.7	Confident	69	Low	112 Å²	112	68.5 Å²	68.5	52%	0.523	35%	0.351	S	S	.	.			trans	-107.8	165.3	173.4	-62.5	-162.6	2.1	0	0	111.2	H354 D355	Q352-H354 VanDerWaalsContact CB-CE1 3.5Å; Q352-H354 WeakPolarHBondContact CB-CE1 3.41Å; Q352-H354 WeakPolarHBondContact CB-ND1 3.38Å; Q352-H354 PolarHBondContact O-N 3.44Å; Q352-H354 VanDerWaalsContact O-N 3.12Å; Q352-H354 PolarHBondContact OE1-CE1 3.01Å; Q352-H354 PolarHBondContact OE1-ND1 3.42Å; Q352-D355 PolarHBondContact N-OD2 3.41Å; Q352-D355 WeakPolarHBondContact O-CB 3.3Å; Q352-D355 PolarHBondContact O-N 2.88Å
353	L	75.8	Confident	71.7	Confident	63 Å²	63	60.4 Å²	60.4	33%	0.33	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-57.1	-31.1	179.6	-171.3	66.8	0	0	0	112.7	L242 N266 D355 L356	L242-L353 HydrophobicContact CD1-CD1 3.78Å; L242-L353 HydrophobicContact CD2-CD1 4.2Å; N266-L353 WeakPolarHBondContact ND2-CD1 3.44Å; L353-D355 VanDerWaalsContact C-N 3.26Å; L353-D355 PolarHBondContact O-N 3.19Å; L353-L356 HydrophobicContact CD1-CD1 4.4Å; L353-L356 PolarHBondContact O-N 3.47Å
354	H	77.2	Confident	74	Confident	107 Å²	107	56.5 Å²	56.5	50%	0.495	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-74.6	-14.6	179.8	66.8	-106.8	0	0	0	113.7	Q352	Q352-H354 VanDerWaalsContact CB-CE1 3.5Å; Q352-H354 WeakPolarHBondContact CB-CE1 3.41Å; Q352-H354 WeakPolarHBondContact CB-ND1 3.38Å; Q352-H354 PolarHBondContact O-N 3.44Å; Q352-H354 VanDerWaalsContact O-N 3.12Å; Q352-H354 PolarHBondContact OE1-CE1 3.01Å; Q352-H354 PolarHBondContact OE1-ND1 3.42Å
355	D	76.3	Confident	76.3	Confident	14 Å²	14	49.8 Å²	49.8	8%	0.075	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-84.8	-17.9	177.4	-63.3	-48.9	0	0	0	112.8	T322 V326 Q352 L353	T322-D355 PolarHBondContact N-O 3.39Å; T322-D355 VanDerWaalsContact OG1-CA 3.24Å; T322-D355 WeakPolarHBondContact OG1-CA 3.47Å; T322-D355 PolarHBondContact OG1-O 2.86Å; T322-D355 PolarHBondContact OG1-OD1 3Å; V326-D355 VanDerWaalsContact CG2-OD1 3.24Å; V326-D355 WeakPolarHBondContact CG2-OD1 3.47Å; Q352-D355 PolarHBondContact N-OD2 3.41Å; Q352-D355 WeakPolarHBondContact O-CB 3.3Å; Q352-D355 PolarHBondContact O-N 2.88Å; L353-D355 VanDerWaalsContact C-N 3.26Å; L353-D355 PolarHBondContact O-N 3.19Å
356	L	81.7	Confident	78	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	-79.4	140.2	179.8	-62.4	173.9	0	0	0	110.5	L242 L244 V259 L353	L242-L356 HydrophobicContact CB-CB 4.43Å; L242-L356 HydrophobicContact CB-CD1 4.22Å; L242-L356 HydrophobicContact CD1-CD1 4.02Å; L242-L356 HydrophobicContact CD2-CB 4.25Å; L242-L356 HydrophobicContact CG-CD1 4.5Å; L244-L356 HydrophobicContact CB-CD2 3.94Å; L244-L356 HydrophobicContact CD1-CD2 3.7Å; L244-L356 HydrophobicContact CG-CD2 4.45Å; V259-L356 HydrophobicContact CG1-CD1 4.4Å; V259-L356 HydrophobicContact CG1-CD2 4.2Å; L353-L356 HydrophobicContact CD1-CD1 4.4Å; L353-L356 PolarHBondContact O-N 3.47Å
357	G	84.2	Confident	79.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	148.6	170.4	0	0	0	0	0	111.5	L242 V243	L242-G357 CarbonylContact C-O 3.58Å; L242-G357 WeakPolarHBondContact CA-O 3.49Å; V243-G357 PolarHBondContact N-O 2.97Å; V243-G357 PolarHBondContact O-N 3.18Å
358	E	87.2	Confident	80.9	Confident	49 Å²	49	49.4 Å²	49.4	23%	0.229	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.1	174.7	-62.6	-157.3	158.9	0	0	111	L242 R268 T319 K375	L242-E358 HydrophobicContact CD2-CG 4.19Å; R268-E358 IonicContact CZ-OE1 3.63Å; R268-E358 IonicContact NH1-OE1 3.04Å; R268-E358 PolarHBondContact NH1-OE1 3.42Å; R268-E358 IonicContact NH1-OE2 3.33Å; R268-E358 IonicContact NH2-OE1 3.64Å; R268-E358 IonicContact NH2-OE2 3.73Å; T319-E358 PolarHBondContact O-N 3.37Å; T319-E358 VanDerWaalsContact O-O 3.09Å; E358-K375 HydrophobicContact CB-CB 4.17Å; E358-K375 HydrophobicContact CB-CD 3.95Å; E358-K375 HydrophobicContact CB-CG 4.16Å; E358-K375 PolarHBondContact O-N 2.93Å; E358-K375 VanDerWaalsContact OE2-CD 3.27Å; E358-K375 WeakPolarHBondContact OE2-CD 3.03Å; E358-K375 WeakPolarHBondContact OE2-CE 3.5Å; E358-K375 IonicContact OE2-NZ 3.64Å; E358-K375 PolarHBondContact OE2-NZ 3.46Å
359	V	88.3	Confident	82.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131	177.9	-175.8	0	0	0	0	109	N240 C241 V243 T319 E361 V362 L371 L372	N240-V359 CarbonylContact C-O 3.3Å; N240-V359 WeakPolarHBondContact CA-O 3.38Å; C241-V359 PolarHBondContact N-O 3.26Å; C241-V359 PolarHBondContact O-N 3.32Å; V243-V359 HydrophobicContact CG2-CB 4.31Å; V243-V359 HydrophobicContact CG2-CG2 3.57Å; T319-V359 HydrophobicContact CG2-CG2 3.39Å; V359-E361 VanDerWaalsContact CG1-O 3.24Å; V359-E361 WeakPolarHBondContact CG1-O 3.26Å; V359-V362 HydrophobicContact CB-CG2 3.95Å; V359-V362 HydrophobicContact CG1-CG2 3.72Å; V359-L371 HydrophobicContact CG1-CB 4.13Å; V359-L371 HydrophobicContact CG2-CB 4.45Å; V359-L372 WeakPolarHBondContact CG1-O 3.12Å
360	E	87.9	Confident	83.4	Confident	77 Å²	77	44.4 Å²	44.4	36%	0.36	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	-38.4	178.9	-162.3	-178.3	153.8	0	0	111.6	Q239 N240 L372 R373	Q239-E360 CarbonylContact C-O 3.56Å; Q239-E360 WeakPolarHBondContact CA-O 3.29Å; N240-E360 PolarHBondContact N-O 2.8Å; E360-L372 PolarHBondContact N-O 3.14Å; E360-R373 HydrophobicContact CB-CB 3.79Å; E360-R373 PolarHBondContact N-O 3.49Å; E360-R373 VanDerWaalsContact N-O 3.14Å; E360-R373 IonicContact OE1-CZ 3.36Å; E360-R373 IonicContact OE1-NH1 2.97Å; E360-R373 PolarHBondContact OE1-NH1 3.47Å; E360-R373 WeakPolarHBondContact OE2-CD 3.46Å; E360-R373 IonicContact OE2-CZ 2.72Å; E360-R373 IonicContact OE2-NE 2.72Å; E360-R373 IonicContact OE2-NH1 3.33Å; E360-R373 PolarHBondContact OE2-NH1 3.4Å
361	E	88	Confident	84.5	Confident	50 Å²	50	39.5 Å²	39.5	23%	0.234	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	133.2	178.7	-161	-177	150.2	0	0	112.9	K201 F238 V359 L372	K201-E361 WeakPolarHBondContact CE-OE1 3.46Å; K201-E361 IonicContact NZ-OE1 3.96Å; K201-E361 PolarHBondContact NZ-OE1 3.06Å; K201-E361 IonicContact NZ-OE2 3.82Å; K201-E361 PolarHBondContact NZ-OE2 3.06Å; F238-E361 WeakPolarHBondContact O-CA 3.5Å; V359-E361 VanDerWaalsContact CG1-O 3.24Å; V359-E361 WeakPolarHBondContact CG1-O 3.26Å; E361-L372 HydrophobicContact CB-CB 4.28Å; E361-L372 PolarHBondContact N-O 2.8Å; E361-L372 PolarHBondContact O-N 3.07Å
362	V	90.2	Very high	85.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.8	177.7	175.5	0	0	0	0	109	E237 F238 C241 L271 V359 V364 L370 L371	E237-V362 CarbonylContact C-O 3.55Å; E237-V362 WeakPolarHBondContact CA-O 3.21Å; F238-V362 HydrophobicContact CB-CB 4.35Å; F238-V362 PolarHBondContact N-O 2.84Å; F238-V362 PolarHBondContact O-N 3.05Å; C241-V362 HydrophobicContact CB-CG2 3.82Å; L271-V362 HydrophobicContact CD1-CG1 4.29Å; L271-V362 HydrophobicContact CD2-CG1 3.87Å; L271-V362 HydrophobicContact CD2-CG2 4.36Å; V359-V362 HydrophobicContact CB-CG2 3.95Å; V359-V362 HydrophobicContact CG1-CG2 3.72Å; V362-V364 HydrophobicContact CG1-CG2 3.79Å; V362-L370 WeakPolarHBondContact CA-O 3.5Å; V362-L371 HydrophobicContact CB-CD2 4.37Å; V362-L371 HydrophobicContact CG1-CD2 3.97Å; V362-L371 HydrophobicContact CG2-CD2 3.7Å
363	C	89.2	Confident	85.7	Confident	13 Å²	13	37.8 Å²	37.8	9%	0.088	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.3	171.1	-171.1	0	0	0	0	109.9	C236 L370	C236-C363 CarbonylContact O-C 3.51Å; C236-C363 WeakPolarHBondContact O-CA 3.38Å; C363-L370 HydrophobicContact CB-CB 4.37Å; C363-L370 PolarHBondContact N-O 3.07Å; C363-L370 PolarHBondContact O-N 3.31Å
364	V	91.6	Very high	86.1	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.8	178.5	-173.3	0	0	0	0	109.3	Y222 K235 C236 L271 V299 V362 T369	Y222-V364 HydrophobicContact CD1-CG1 4.02Å; Y222-V364 HydrophobicContact CG-CG1 4.47Å; Y222-V364 VanDerWaalsContact N-CG1 3.32Å; K235-V364 CarbonylContact C-O 3.48Å; K235-V364 VanDerWaalsContact CA-O 3.27Å; K235-V364 WeakPolarHBondContact CA-O 3.45Å; C236-V364 HydrophobicContact CB-CB 4.17Å; C236-V364 PolarHBondContact N-O 2.96Å; C236-V364 PolarHBondContact O-N 3.43Å; L271-V364 HydrophobicContact CD1-CG2 3.95Å; V299-V364 HydrophobicContact CG2-CG1 3.73Å; V299-V364 HydrophobicContact CG2-CG2 4.13Å; V362-V364 HydrophobicContact CG1-CG2 3.79Å; V364-T369 WeakPolarHBondContact CG1-OG1 3.18Å; V364-T369 HydrophobicContact CG2-CG2 3.97Å
365	T	88.2	Confident	86.4	Confident	23 Å²	23	36.3 Å²	36.3	14%	0.141	18%	0.178	C	C	.	.			trans	-106.8	-171.2	172.1	77.5	0	0	0	0	109.9	G221 Y222 K235 D367 D368	G221-T365 CarbonylContact C-O 3.56Å; G221-T365 WeakPolarHBondContact CA-O 3.4Å; Y222-T365 WeakPolarHBondContact CD1-O 3.36Å; Y222-T365 WeakPolarHBondContact CE1-O 3.5Å; Y222-T365 PolarHBondContact N-O 3.48Å; Y222-T365 VanDerWaalsContact N-O 3.1Å; K235-T365 HydrophobicContact CD-CG2 4.02Å; K235-T365 HydrophobicContact CG-CG2 3.98Å; T365-D367 VanDerWaalsContact C-N 3.28Å; T365-D367 PolarHBondContact OG1-N 3.08Å; T365-D368 PolarHBondContact N-O 3Å; T365-D368 PolarHBondContact OG1-N 3.24Å; T365-D368 PolarHBondContact OG1-O 3.23Å
366	K	86.1	Confident	86.5	Confident	141 Å²	141	36.6 Å²	36.6	61%	0.613	18%	0.183	S	C	*	.	S	Bend	trans	-64.7	-34.6	175.1	-176.2	-170.7	169.2	-161.6	0	112.2	G221 Y222	G221-K366 VanDerWaalsContact CA-O 3.31Å; G221-K366 WeakPolarHBondContact CA-O 3.35Å; Y222-K366 HydrophobicContact CE2-CB 4.47Å
367	D	84.8	Confident	86.6	Confident	99 Å²	99	45.1 Å²	45.1	53%	0.529	22%	0.215	S	C	.	.	S	Bend	trans	-116.1	-24.1	-169.9	-54.8	-56.1	0	0	0	112.3	D219 R220 G221 T365	D219-D367 CarbonylContact C-O 3.59Å; D219-D367 WeakPolarHBondContact CA-O 3.4Å; R220-D367 CarbonylContact C-O 3.53Å; R220-D367 VanDerWaalsContact C-O 3.3Å; R220-D367 VanDerWaalsContact CA-O 3.32Å; R220-D367 WeakPolarHBondContact CA-O 3.49Å; R220-D367 PolarHBondContact N-O 3.47Å; G221-D367 PolarHBondContact N-O 3.38Å; T365-D367 VanDerWaalsContact C-N 3.28Å; T365-D367 PolarHBondContact OG1-N 3.08Å
368	D	88.8	Confident	86.6	Confident	38 Å²	38	51.1 Å²	51.1	20%	0.203	24%	0.241	C	C	.	.			trans	-128.4	149.4	-172.1	-60.1	-32.7	0	0	0	113.2	K217 F218 R220 T365	K217-D368 WeakPolarHBondContact CE-OD2 3.49Å; K217-D368 VanDerWaalsContact NZ-CG 3.25Å; K217-D368 IonicContact NZ-OD1 2.68Å; K217-D368 IonicContact NZ-OD2 3.72Å; K217-D368 PolarHBondContact NZ-OD2 3.39Å; F218-D368 WeakPolarHBondContact O-CA 2.99Å; R220-D368 CarbonylContact O-C 3.48Å; R220-D368 VanDerWaalsContact O-C 3.24Å; T365-D368 PolarHBondContact N-O 3Å; T365-D368 PolarHBondContact OG1-N 3.24Å; T365-D368 PolarHBondContact OG1-O 3.23Å
369	T	89.7	Confident	86.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.4	166.1	-65.9	0	0	0	0	110	K217 F218 R220 L271 V299 V364 L371	K217-T369 WeakPolarHBondContact CA-O 3.46Å; F218-T369 HydrophobicContact CD1-CG2 4.44Å; F218-T369 HydrophobicContact CE1-CG2 3.54Å; F218-T369 HydrophobicContact CE2-CG2 4.2Å; F218-T369 HydrophobicContact CZ-CG2 3.4Å; F218-T369 PolarHBondContact N-O 2.94Å; F218-T369 PolarHBondContact O-N 3.3Å; R220-T369 WeakPolarHBondContact O-CB 3.31Å; R220-T369 PolarHBondContact O-N 3.44Å; R220-T369 VanDerWaalsContact O-N 3.13Å; R220-T369 PolarHBondContact O-OG1 3.46Å; L271-T369 HydrophobicContact CD2-CG2 4.48Å; V299-T369 WeakPolarHBondContact CG1-OG1 3.48Å; V364-T369 WeakPolarHBondContact CG1-OG1 3.18Å; V364-T369 HydrophobicContact CG2-CG2 3.97Å; T369-L371 HydrophobicContact CG2-CD2 4.09Å
370	L	88.3	Confident	86.4	Confident	18 Å²	18	57.5 Å²	57.5	9%	0.094	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.5	175.1	-65.7	107.8	0	0	0	110.3	V197 T199 M216 K217 V362 C363	V197-L370 HydrophobicContact CG1-CD2 4.2Å; T199-L370 HydrophobicContact CG2-CD2 3.26Å; M216-L370 WeakPolarHBondContact O-CA 3.48Å; K217-L370 HydrophobicContact CB-CD2 4.19Å; K217-L370 HydrophobicContact CB-CG 4.21Å; K217-L370 HydrophobicContact CD-CD2 4.33Å; K217-L370 HydrophobicContact CD-CG 4.43Å; K217-L370 HydrophobicContact CG-CD2 4.25Å; K217-L370 HydrophobicContact CG-CG 4.01Å; V362-L370 WeakPolarHBondContact CA-O 3.5Å; C363-L370 HydrophobicContact CB-CB 4.37Å; C363-L370 PolarHBondContact N-O 3.07Å; C363-L370 PolarHBondContact O-N 3.31Å
371	L	88.8	Confident	86.3	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.1	172	-51.9	178.1	0	0	0	107.6	G215 M216 F218 L271 T319 V359 V362 T369	G215-L371 CarbonylContact C-O 3.41Å; G215-L371 WeakPolarHBondContact CA-O 2.76Å; M216-L371 HydrophobicContact CG-CB 3.97Å; M216-L371 HydrophobicContact CG-CD1 4.12Å; M216-L371 HydrophobicContact CG-CG 4.33Å; M216-L371 PolarHBondContact N-O 2.83Å; M216-L371 PolarHBondContact O-N 2.91Å; M216-L371 HydrophobicContact SD-CD1 4.15Å; F218-L371 HydrophobicContact CE1-CD1 4.19Å; F218-L371 HydrophobicContact CE1-CG 4.29Å; L271-L371 HydrophobicContact CD2-CD2 3.54Å; T319-L371 HydrophobicContact CG2-CD1 4.15Å; V359-L371 HydrophobicContact CG1-CB 4.13Å; V359-L371 HydrophobicContact CG2-CB 4.45Å; V362-L371 HydrophobicContact CB-CD2 4.37Å; V362-L371 HydrophobicContact CG1-CD2 3.97Å; V362-L371 HydrophobicContact CG2-CD2 3.7Å; T369-L371 HydrophobicContact CG2-CD2 4.09Å
372	L	85.1	Confident	86.2	Confident	4 Å²	4	59 Å²	59	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.9	-176.6	-58.6	171.8	0	0	0	109.7	V359 E360 E361 V415	V359-L372 WeakPolarHBondContact CG1-O 3.12Å; E360-L372 PolarHBondContact N-O 3.14Å; E361-L372 HydrophobicContact CB-CB 4.28Å; E361-L372 PolarHBondContact N-O 2.8Å; E361-L372 PolarHBondContact O-N 3.07Å; L372-V415 HydrophobicContact CD2-CB 3.9Å; L372-V415 HydrophobicContact CD2-CG1 3.76Å; L372-V415 HydrophobicContact CD2-CG2 4.13Å
373	R	83.1	Confident	86.1	Confident	88 Å²	88	64.3 Å²	64.3	33%	0.332	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.2	66.5	-177.6	-54.1	178.6	-178.7	176.8	4.9	111.9	E211 I213 E214 E360	E211-R373 IonicContact OE1-CZ 3.95Å; E211-R373 IonicContact OE1-NE 3.19Å; E211-R373 IonicContact OE1-NH2 2.83Å; E211-R373 PolarHBondContact OE1-NH2 3.42Å; E211-R373 IonicContact OE2-NH2 3.96Å; I213-R373 HydrophobicContact CG2-CB 4.36Å; I213-R373 HydrophobicContact CG2-CG 3.15Å; E214-R373 WeakPolarHBondContact O-CA 3.46Å; E214-R373 PolarHBondContact O-N 2.84Å; E360-R373 HydrophobicContact CB-CB 3.79Å; E360-R373 PolarHBondContact N-O 3.49Å; E360-R373 VanDerWaalsContact N-O 3.14Å; E360-R373 IonicContact OE1-CZ 3.36Å; E360-R373 IonicContact OE1-NH1 2.97Å; E360-R373 PolarHBondContact OE1-NH1 3.47Å; E360-R373 WeakPolarHBondContact OE2-CD 3.46Å; E360-R373 IonicContact OE2-CZ 2.72Å; E360-R373 IonicContact OE2-NE 2.72Å; E360-R373 IonicContact OE2-NH1 3.33Å; E360-R373 PolarHBondContact OE2-NH1 3.4Å
374	G	83.2	Confident	86.1	Confident	26 Å²	26	65 Å²	65	27%	0.268	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	140.6	166.8	0	0	0	0	0	110.3	A318 G376	A318-G374 CarbonylContact O-C 2.9Å; A318-G374 WeakPolarHBondContact O-CA 3.34Å; G374-G376 PolarHBondContact O-N 3.17Å
375	K	83.5	Confident	85.9	Confident	114 Å²	114	66.1 Å²	66.1	50%	0.496	31%	0.308	S	S	.	.			trans	-87.5	30.9	179.1	-61.5	-169.5	-169.6	166.6	0	113.3	E358	E358-K375 HydrophobicContact CB-CB 4.17Å; E358-K375 HydrophobicContact CB-CD 3.95Å; E358-K375 HydrophobicContact CB-CG 4.16Å; E358-K375 PolarHBondContact O-N 2.93Å; E358-K375 VanDerWaalsContact OE2-CD 3.27Å; E358-K375 WeakPolarHBondContact OE2-CD 3.03Å; E358-K375 WeakPolarHBondContact OE2-CE 3.5Å; E358-K375 IonicContact OE2-NZ 3.64Å; E358-K375 PolarHBondContact OE2-NZ 3.46Å
376	G	79.9	Confident	85.9	Confident	19 Å²	19	67.2 Å²	67.2	20%	0.196	32%	0.319	C	S	.	.			trans	-64.3	152.8	173.9	0	0	0	0	0	112.5	I317 A318 G374	I317-G376 WeakPolarHBondContact O-CA 3.2Å; A318-G376 WeakPolarHBondContact O-CA 3.5Å; A318-G376 PolarHBondContact O-N 3.36Å; A318-G376 VanDerWaalsContact O-N 3.1Å; G374-G376 PolarHBondContact O-N 3.17Å
377	R	83.5	Confident	86.1	Confident	185 Å²	185	63.2 Å²	63.2	70%	0.698	31%	0.307	S	S	*	.			trans	-74.6	128.6	172	-61.9	179.4	179.5	-176.6	1.2	108.7	E379 D380 V381	R377-E379 PolarHBondContact O-N 3.41Å; R377-D380 HydrophobicContact CB-CB 4.36Å; R377-D380 WeakPolarHBondContact CB-OD2 3.43Å; R377-D380 WeakPolarHBondContact O-CB 3.34Å; R377-D380 PolarHBondContact O-N 3.31Å; R377-V381 PolarHBondContact O-N 2.98Å
378	K	82.5	Confident	86.3	Confident	127 Å²	127	58.5 Å²	58.5	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-56.5	-38.2	-179.6	-63.8	-164.5	177	-142.9	0	112.7	E214 D380 V381 E382	E214-K378 IonicContact OE1-NZ 3.71Å; E214-K378 PolarHBondContact OE1-NZ 3.48Å; E214-K378 IonicContact OE2-NZ 2.69Å; K378-D380 VanDerWaalsContact C-N 3.29Å; K378-D380 PolarHBondContact O-N 3.22Å; K378-V381 PolarHBondContact O-N 3.1Å; K378-E382 WeakPolarHBondContact O-CG 3.19Å; K378-E382 PolarHBondContact O-N 2.77Å
379	E	86.7	Confident	86.3	Confident	137 Å²	137	62 Å²	62	64%	0.64	30%	0.295	S	S	*	.	H	α-helix	trans	-60.9	-34.6	176.1	-62.9	176.6	-172.8	0	0	113.2	R377 R383	R377-E379 PolarHBondContact O-N 3.41Å; E379-R383 WeakPolarHBondContact O-CB 3.41Å; E379-R383 VanDerWaalsContact O-CG 3.23Å; E379-R383 WeakPolarHBondContact O-CG 3.42Å; E379-R383 PolarHBondContact O-N 3.14Å; E379-R383 PolarHBondContact O-NE 3.21Å
380	D	85.6	Confident	86.4	Confident	46 Å²	46	66.1 Å²	66.1	25%	0.246	32%	0.317	C	S	.	.	H	α-helix	trans	-74.4	-39.7	179.4	-62.4	-21.1	0	0	0	110.6	I317 R377 K378 R383 R384	I317-D380 HydrophobicContact CG2-CB 3.71Å; R377-D380 HydrophobicContact CB-CB 4.36Å; R377-D380 WeakPolarHBondContact CB-OD2 3.43Å; R377-D380 WeakPolarHBondContact O-CB 3.34Å; R377-D380 PolarHBondContact O-N 3.31Å; K378-D380 VanDerWaalsContact C-N 3.29Å; K378-D380 PolarHBondContact O-N 3.22Å; D380-R383 IonicContact OD1-CZ 2.58Å; D380-R383 IonicContact OD1-NE 2.65Å; D380-R383 IonicContact OD1-NH2 2.72Å; D380-R383 PolarHBondContact OD1-NH2 3.2Å; D380-R384 WeakPolarHBondContact O-CB 3.36Å; D380-R384 PolarHBondContact O-N 3.37Å
381	V	84.8	Confident	86.3	Confident	28 Å²	28	68.3 Å²	68.3	17%	0.17	33%	0.327	C	S	.	.	H	α-helix	trans	-64.5	-47	175.7	179.3	0	0	0	0	110.6	I317 R377 K378 R383 R384 I385	I317-V381 HydrophobicContact CG2-CG2 3.97Å; R377-V381 PolarHBondContact O-N 2.98Å; K378-V381 PolarHBondContact O-N 3.1Å; V381-R383 PolarHBondContact O-N 3.26Å; V381-R384 PolarHBondContact O-N 3.31Å; V381-I385 HydrophobicContact CG1-CD1 3.91Å; V381-I385 HydrophobicContact CG1-CG1 4.47Å; V381-I385 VanDerWaalsContact O-CG1 3.3Å; V381-I385 WeakPolarHBondContact O-CG1 3.42Å; V381-I385 PolarHBondContact O-N 3.09Å
382	E	86.1	Confident	86.3	Confident	130 Å²	130	69.5 Å²	69.5	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-62.2	-43.9	177.8	-75.2	178.2	-174.3	0	0	112.1	K378 R384 I385 A386	K378-E382 WeakPolarHBondContact O-CG 3.19Å; K378-E382 PolarHBondContact O-N 2.77Å; E382-R384 VanDerWaalsContact C-N 3.29Å; E382-R384 PolarHBondContact O-N 2.95Å; E382-I385 PolarHBondContact O-N 3.47Å; E382-A386 PolarHBondContact O-N 3.37Å
383	R	89.7	Confident	86.4	Confident	112 Å²	112	76.9 Å²	76.9	42%	0.423	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-42.3	173.9	-79.2	-173.4	-71.8	177.7	-9	111.7	E379 D380 V381 A386 T387	E379-R383 WeakPolarHBondContact O-CB 3.41Å; E379-R383 VanDerWaalsContact O-CG 3.23Å; E379-R383 WeakPolarHBondContact O-CG 3.42Å; E379-R383 PolarHBondContact O-N 3.14Å; E379-R383 PolarHBondContact O-NE 3.21Å; D380-R383 IonicContact OD1-CZ 2.58Å; D380-R383 IonicContact OD1-NE 2.65Å; D380-R383 IonicContact OD1-NH2 2.72Å; D380-R383 PolarHBondContact OD1-NH2 3.2Å; V381-R383 PolarHBondContact O-N 3.26Å; R383-A386 WeakPolarHBondContact O-CB 3.28Å; R383-A386 PolarHBondContact O-N 3.29Å; R383-T387 PolarHBondContact O-N 3.36Å; R383-T387 PolarHBondContact O-OG1 3.37Å
384	R	87.2	Confident	86.6	Confident	26 Å²	26	80.1 Å²	80.1	10%	0.098	39%	0.388	C	S	.	.	H	α-helix	trans	-66.5	-41.5	178.3	-172.5	54.9	169.3	174	-2.7	112.2	D314 I317 D380 V381 E382 A386 T387 I388 L411	D314-R384 IonicContact OD1-CZ 3.73Å; D314-R384 IonicContact OD1-NE 3.66Å; D314-R384 PolarHBondContact OD1-NE 3.46Å; D314-R384 IonicContact OD1-NH2 2.86Å; D314-R384 PolarHBondContact OD1-NH2 3.47Å; I317-R384 HydrophobicContact CD1-CB 4.08Å; I317-R384 HydrophobicContact CD1-CG 4Å; D380-R384 WeakPolarHBondContact O-CB 3.36Å; D380-R384 PolarHBondContact O-N 3.37Å; V381-R384 PolarHBondContact O-N 3.31Å; E382-R384 VanDerWaalsContact C-N 3.29Å; E382-R384 PolarHBondContact O-N 2.95Å; R384-A386 VanDerWaalsContact C-N 3.29Å; R384-A386 PolarHBondContact O-N 3.3Å; R384-T387 PolarHBondContact O-N 3.38Å; R384-I388 HydrophobicContact CG-CD1 4.16Å; R384-I388 WeakPolarHBondContact O-CG1 3.49Å; R384-I388 PolarHBondContact O-N 2.91Å; R384-L411 HydrophobicContact CG-CD1 3.92Å
385	I	87.4	Confident	86.6	Confident	25 Å²	25	79.3 Å²	79.3	13%	0.128	38%	0.379	C	S	.	.	H	α-helix	trans	-59.4	-42.7	173.6	-69.4	166.2	0	0	0	110.2	V381 E382 I388 K389 L411	V381-I385 HydrophobicContact CG1-CD1 3.91Å; V381-I385 HydrophobicContact CG1-CG1 4.47Å; V381-I385 VanDerWaalsContact O-CG1 3.3Å; V381-I385 WeakPolarHBondContact O-CG1 3.42Å; V381-I385 PolarHBondContact O-N 3.09Å; E382-I385 PolarHBondContact O-N 3.47Å; I385-I388 PolarHBondContact O-N 3.17Å; I385-K389 HydrophobicContact CG2-CD 4.36Å; I385-K389 WeakPolarHBondContact O-CG 3.28Å; I385-K389 PolarHBondContact O-N 3.33Å; I385-L411 HydrophobicContact CD1-CB 4.22Å; I385-L411 HydrophobicContact CG1-CB 3.86Å; I385-L411 HydrophobicContact CG1-CD1 4.44Å
386	A	90	Very high	86.6	Confident	45 Å²	45	81.5 Å²	81.5	37%	0.372	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-46	177.1	0	0	0	0	0	111.5	E382 R383 R384 I388 K389 D390	E382-A386 PolarHBondContact O-N 3.37Å; R383-A386 WeakPolarHBondContact O-CB 3.28Å; R383-A386 PolarHBondContact O-N 3.29Å; R384-A386 VanDerWaalsContact C-N 3.29Å; R384-A386 PolarHBondContact O-N 3.3Å; A386-I388 VanDerWaalsContact C-N 3.33Å; A386-I388 PolarHBondContact O-N 2.92Å; A386-K389 WeakPolarHBondContact O-CB 3.49Å; A386-K389 PolarHBondContact O-N 3.32Å; A386-K389 VanDerWaalsContact O-N 3.15Å; A386-D390 VanDerWaalsContact O-CG 3.32Å; A386-D390 PolarHBondContact O-N 3.14Å
387	T	89.6	Confident	86.8	Confident	58 Å²	58	82.8 Å²	82.8	36%	0.356	40%	0.401	S	S	.	.	H	α-helix	trans	-58.2	-43.9	176.5	-52.5	0	0	0	0	112.1	R383 R384 K389 D390 E391	R383-T387 PolarHBondContact O-N 3.36Å; R383-T387 PolarHBondContact O-OG1 3.37Å; R384-T387 PolarHBondContact O-N 3.38Å; T387-K389 VanDerWaalsContact C-N 3.34Å; T387-K389 PolarHBondContact O-N 3.37Å; T387-D390 PolarHBondContact O-N 2.86Å; T387-E391 HydrophobicContact CG2-CG 4.49Å; T387-E391 WeakPolarHBondContact O-CB 3.37Å; T387-E391 VanDerWaalsContact O-CG 3.31Å; T387-E391 WeakPolarHBondContact O-CG 3.46Å; T387-E391 PolarHBondContact O-N 2.81Å
388	I	88.9	Confident	86.6	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-66.7	-37	179.4	-65.1	167	0	0	0	111	R384 I385 A386 E391 I392 M404 L408 L411	R384-I388 HydrophobicContact CG-CD1 4.16Å; R384-I388 WeakPolarHBondContact O-CG1 3.49Å; R384-I388 PolarHBondContact O-N 2.91Å; I385-I388 PolarHBondContact O-N 3.17Å; A386-I388 VanDerWaalsContact C-N 3.33Å; A386-I388 PolarHBondContact O-N 2.92Å; I388-E391 PolarHBondContact O-N 2.89Å; I388-I392 HydrophobicContact CG2-CD1 3.95Å; I388-I392 HydrophobicContact CG2-CG1 4.42Å; I388-I392 WeakPolarHBondContact O-CD1 3.47Å; I388-I392 WeakPolarHBondContact O-CG1 3.49Å; I388-I392 PolarHBondContact O-N 3.11Å; I388-M404 HydrophobicContact CG2-CB 4.12Å; I388-L408 HydrophobicContact CG2-CB 3.98Å; I388-L408 HydrophobicContact CG2-CD1 4.27Å; I388-L411 HydrophobicContact CD1-CD1 3.64Å
389	K	88.3	Confident	86.4	Confident	110 Å²	110	81.6 Å²	81.6	48%	0.478	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-45.7	174.6	-73.4	177.8	179.3	-179.6	0	111.7	I385 A386 T387 E391 I392 E393 L408	I385-K389 HydrophobicContact CG2-CD 4.36Å; I385-K389 WeakPolarHBondContact O-CG 3.28Å; I385-K389 PolarHBondContact O-N 3.33Å; A386-K389 WeakPolarHBondContact O-CB 3.49Å; A386-K389 PolarHBondContact O-N 3.32Å; A386-K389 VanDerWaalsContact O-N 3.15Å; T387-K389 VanDerWaalsContact C-N 3.34Å; T387-K389 PolarHBondContact O-N 3.37Å; K389-E391 VanDerWaalsContact C-N 3.33Å; K389-E391 PolarHBondContact O-N 3.23Å; K389-I392 WeakPolarHBondContact O-CB 3.42Å; K389-I392 PolarHBondContact O-N 2.65Å; K389-E393 PolarHBondContact O-N 3.14Å; K389-E393 VanDerWaalsContact O-N 3.14Å; K389-L408 HydrophobicContact CD-CD1 4.33Å; K389-L408 HydrophobicContact CG-CD1 3.41Å; K389-L408 VanDerWaalsContact CG-CD1 3.41Å
390	D	91.2	Very high	86.2	Confident	88 Å²	88	79.7 Å²	79.7	47%	0.471	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-40.8	177.4	-61.3	-19.4	0	0	0	111	A386 T387 I392 E393 M394	A386-D390 VanDerWaalsContact O-CG 3.32Å; A386-D390 PolarHBondContact O-N 3.14Å; T387-D390 PolarHBondContact O-N 2.86Å; D390-I392 PolarHBondContact O-N 3.5Å; D390-E393 PolarHBondContact O-N 3.3Å; D390-M394 WeakPolarHBondContact O-CG 3.26Å; D390-M394 PolarHBondContact O-N 2.85Å; D390-M394 VanDerWaalsContact O-N 3.09Å
391	E	87.7	Confident	86	Confident	64 Å²	64	80.9 Å²	80.9	30%	0.299	40%	0.398	S	S	.	.	H	α-helix	trans	-62.6	-37.6	174.9	-73.4	174.3	-175.8	0	0	112.4	T387 I388 K389 M394 S395 M404	T387-E391 HydrophobicContact CG2-CG 4.49Å; T387-E391 WeakPolarHBondContact O-CB 3.37Å; T387-E391 VanDerWaalsContact O-CG 3.31Å; T387-E391 WeakPolarHBondContact O-CG 3.46Å; T387-E391 PolarHBondContact O-N 2.81Å; I388-E391 PolarHBondContact O-N 2.89Å; K389-E391 VanDerWaalsContact C-N 3.33Å; K389-E391 PolarHBondContact O-N 3.23Å; E391-M394 PolarHBondContact O-N 3.32Å; E391-S395 PolarHBondContact O-N 3.08Å; E391-M404 HydrophobicContact CB-CE 4.24Å; E391-M404 HydrophobicContact CB-SD 3.59Å; E391-M404 VanDerWaalsContact CB-SD 3.59Å
392	I	87.2	Confident	85.8	Confident	28 Å²	28	85.5 Å²	85.5	14%	0.144	42%	0.418	C	S	.	.	H	α-helix	trans	-64.5	-41.8	176.2	-71.7	162.9	0	0	0	111	I388 K389 D390 M394 K401 M404 L408	I388-I392 HydrophobicContact CG2-CD1 3.95Å; I388-I392 HydrophobicContact CG2-CG1 4.42Å; I388-I392 WeakPolarHBondContact O-CD1 3.47Å; I388-I392 WeakPolarHBondContact O-CG1 3.49Å; I388-I392 PolarHBondContact O-N 3.11Å; K389-I392 WeakPolarHBondContact O-CB 3.42Å; K389-I392 PolarHBondContact O-N 2.65Å; D390-I392 PolarHBondContact O-N 3.5Å; I392-M394 VanDerWaalsContact C-N 3.34Å; I392-K401 HydrophobicContact CG2-CG 4.35Å; I392-K401 WeakPolarHBondContact O-CE 3.23Å; I392-M404 HydrophobicContact CD1-CB 3.91Å; I392-M404 HydrophobicContact CG1-CB 3.41Å; I392-M404 VanDerWaalsContact CG1-CB 3.41Å; I392-M404 HydrophobicContact CG1-CG 4.31Å; I392-M404 HydrophobicContact CG1-SD 3.92Å; I392-L408 HydrophobicContact CD1-CD1 3.98Å
393	E	87.9	Confident	85.6	Confident	158 Å²	158	82 Å²	82	74%	0.738	40%	0.401	S	S	*	.	H	α-helix	trans	-68	-34.7	178.9	-69.9	-174.7	-178.3	0	0	112.2	K389 D390	K389-E393 PolarHBondContact O-N 3.14Å; K389-E393 VanDerWaalsContact O-N 3.14Å; D390-E393 PolarHBondContact O-N 3.3Å
394	M	88.1	Confident	85.4	Confident	156 Å²	156	78 Å²	78	77%	0.768	39%	0.387	S	S	*	.	H	α-helix	trans	-80.9	-23.1	179.1	-67.3	-173.3	-170.6	0	0	114.1	D390 E391 I392	D390-M394 WeakPolarHBondContact O-CG 3.26Å; D390-M394 PolarHBondContact O-N 2.85Å; D390-M394 VanDerWaalsContact O-N 3.09Å; E391-M394 PolarHBondContact O-N 3.32Å; I392-M394 VanDerWaalsContact C-N 3.34Å
395	S	83.6	Confident	85.1	Confident	10 Å²	10	80.6 Å²	80.6	7%	0.07	40%	0.401	C	S	.	.			trans	-72.2	141	179.5	-176.2	0	0	0	0	111.5	E391 S397 E400 K401	E391-S395 PolarHBondContact O-N 3.08Å; S395-S397 PolarHBondContact OG-N 3.48Å; S395-E400 PolarHBondContact OG-OE2 3.35Å; S395-K401 WeakPolarHBondContact O-CE 3.34Å; S395-K401 PolarHBondContact O-NZ 2.82Å; S395-K401 VanDerWaalsContact O-NZ 3.1Å
396	N	83.4	Confident	84.7	Confident	160 Å²	160	82.6 Å²	82.6	86%	0.856	41%	0.409	S	S	*	.			trans	-101.5	-2.7	174.9	-69.2	-45.2	0	0	0	112.7
397	S	82.8	Confident	84.5	Confident	45 Å²	45	80.8 Å²	80.8	32%	0.315	39%	0.393	S	S	.	.			trans	-102.9	120	-175.1	179.6	0	0	0	0	110.6	S395 Y399 E400 K401	S395-S397 PolarHBondContact OG-N 3.48Å; S397-Y399 PolarHBondContact O-N 3.04Å; S397-E400 PolarHBondContact O-N 2.84Å; S397-E400 VanDerWaalsContact O-N 3.12Å; S397-K401 WeakPolarHBondContact O-CG 3.49Å; S397-K401 PolarHBondContact O-N 3.39Å
398	D	79.7	Confident	84.2	Confident	131 Å²	131	78.8 Å²	78.8	70%	0.701	38%	0.38	S	S	*	.	H	α-helix	trans	-57.9	-36.2	177.1	-65.4	-30.7	0	0	0	111.9	K401 E402	D398-K401 PolarHBondContact O-N 3.06Å; D398-E402 WeakPolarHBondContact O-CB 3.22Å; D398-E402 PolarHBondContact O-N 3.43Å
399	Y	79.4	Confident	83.8	Confident	157 Å²	157	79.4 Å²	79.4	62%	0.616	38%	0.384	S	S	*	.	H	α-helix	trans	-63.6	-41.8	176.8	175.2	-97.8	0	0	0	112.5	S397 K403	S397-Y399 PolarHBondContact O-N 3.04Å; Y399-K403 HydrophobicContact CE1-CG 4.38Å; Y399-K403 HydrophobicContact CE2-CG 4.5Å; Y399-K403 WeakPolarHBondContact O-CG 3.31Å; Y399-K403 PolarHBondContact O-N 2.9Å
400	E	82.6	Confident	83.4	Confident	97 Å²	97	76.1 Å²	76.1	45%	0.453	37%	0.37	S	S	.	.	H	α-helix	trans	-70.9	-40.7	177.7	-69.8	-176.7	171.8	0	0	111.3	S395 S397 E402 K403 M404	S395-E400 PolarHBondContact OG-OE2 3.35Å; S397-E400 PolarHBondContact O-N 2.84Å; S397-E400 VanDerWaalsContact O-N 3.12Å; E400-E402 VanDerWaalsContact C-N 3.33Å; E400-E402 PolarHBondContact O-N 2.93Å; E400-K403 PolarHBondContact O-N 3.49Å; E400-K403 VanDerWaalsContact O-N 3.16Å; E400-M404 HydrophobicContact CB-CE 4.19Å; E400-M404 WeakPolarHBondContact O-CB 3.3Å; E400-M404 WeakPolarHBondContact O-CG 3.46Å; E400-M404 PolarHBondContact O-N 3.36Å
401	K	80.9	Confident	82.8	Confident	70 Å²	70	73 Å²	73	30%	0.304	35%	0.354	S	S	.	.	H	α-helix	trans	-57.8	-46.1	175	-71.9	-177.4	-176.9	-179.9	0	111.6	I392 S395 S397 D398 K403 M404 Q405	I392-K401 HydrophobicContact CG2-CG 4.35Å; I392-K401 WeakPolarHBondContact O-CE 3.23Å; S395-K401 WeakPolarHBondContact O-CE 3.34Å; S395-K401 PolarHBondContact O-NZ 2.82Å; S395-K401 VanDerWaalsContact O-NZ 3.1Å; S397-K401 WeakPolarHBondContact O-CG 3.49Å; S397-K401 PolarHBondContact O-N 3.39Å; D398-K401 PolarHBondContact O-N 3.06Å; K401-K403 VanDerWaalsContact C-N 3.31Å; K401-K403 PolarHBondContact O-N 3.4Å; K401-M404 PolarHBondContact O-N 3.11Å; K401-Q405 VanDerWaalsContact O-CB 3.24Å; K401-Q405 WeakPolarHBondContact O-CB 3.34Å; K401-Q405 PolarHBondContact O-N 2.87Å
402	E	79.3	Confident	82.2	Confident	126 Å²	126	72.5 Å²	72.5	59%	0.589	36%	0.357	S	S	*	.	H	α-helix	trans	-59.4	-43.2	176.6	-169.3	-173.4	164.8	0	0	111.3	D398 E400 Q405 E406	D398-E402 WeakPolarHBondContact O-CB 3.22Å; D398-E402 PolarHBondContact O-N 3.43Å; E400-E402 VanDerWaalsContact C-N 3.33Å; E400-E402 PolarHBondContact O-N 2.93Å; E402-Q405 PolarHBondContact O-N 3.39Å; E402-E406 PolarHBondContact O-N 3.31Å
403	K	82.3	Confident	81.3	Confident	55 Å²	55	73.3 Å²	73.3	24%	0.239	36%	0.362	C	S	.	.	H	α-helix	trans	-70.7	-36.2	178.9	-69.2	-64.7	167.2	-144.1	0	114	Y399 E400 K401 E406 R407	Y399-K403 HydrophobicContact CE1-CG 4.38Å; Y399-K403 HydrophobicContact CE2-CG 4.5Å; Y399-K403 WeakPolarHBondContact O-CG 3.31Å; Y399-K403 PolarHBondContact O-N 2.9Å; E400-K403 PolarHBondContact O-N 3.49Å; E400-K403 VanDerWaalsContact O-N 3.16Å; K401-K403 VanDerWaalsContact C-N 3.31Å; K401-K403 PolarHBondContact O-N 3.4Å; K403-E406 IonicContact NZ-OE2 3.7Å; K403-E406 PolarHBondContact NZ-OE2 2.97Å; K403-E406 WeakPolarHBondContact O-CB 3.49Å; K403-E406 PolarHBondContact O-N 3.16Å; K403-R407 WeakPolarHBondContact O-CG 3.24Å; K403-R407 PolarHBondContact O-N 3.08Å
404	M	85.1	Confident	80.5	Confident	29 Å²	29	66.7 Å²	66.7	14%	0.143	34%	0.335	C	S	.	.	H	α-helix	trans	-69.7	-37.6	172.7	-68.7	-173.9	-152.7	0	0	111.4	I388 E391 I392 E400 K401 E406 R407 L408	I388-M404 HydrophobicContact CG2-CB 4.12Å; E391-M404 HydrophobicContact CB-CE 4.24Å; E391-M404 HydrophobicContact CB-SD 3.59Å; E391-M404 VanDerWaalsContact CB-SD 3.59Å; I392-M404 HydrophobicContact CD1-CB 3.91Å; I392-M404 HydrophobicContact CG1-CB 3.41Å; I392-M404 VanDerWaalsContact CG1-CB 3.41Å; I392-M404 HydrophobicContact CG1-CG 4.31Å; I392-M404 HydrophobicContact CG1-SD 3.92Å; E400-M404 HydrophobicContact CB-CE 4.19Å; E400-M404 WeakPolarHBondContact O-CB 3.3Å; E400-M404 WeakPolarHBondContact O-CG 3.46Å; E400-M404 PolarHBondContact O-N 3.36Å; K401-M404 PolarHBondContact O-N 3.11Å; M404-E406 VanDerWaalsContact C-N 3.33Å; M404-E406 PolarHBondContact O-N 3.04Å; M404-R407 WeakPolarHBondContact O-CB 3.26Å; M404-R407 PolarHBondContact O-N 2.87Å; M404-L408 WeakPolarHBondContact O-CB 3.32Å; M404-L408 PolarHBondContact O-N 3.31Å
405	Q	81.8	Confident	80	Confident	80 Å²	80	59.3 Å²	59.3	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-42.1	173.8	-169.1	66.8	20.8	0	0	110.9	K401 E402 R407 L408 S409	K401-Q405 VanDerWaalsContact O-CB 3.24Å; K401-Q405 WeakPolarHBondContact O-CB 3.34Å; K401-Q405 PolarHBondContact O-N 2.87Å; E402-Q405 PolarHBondContact O-N 3.39Å; Q405-R407 VanDerWaalsContact C-N 3.3Å; Q405-R407 PolarHBondContact O-N 2.71Å; Q405-L408 PolarHBondContact O-N 2.89Å; Q405-S409 WeakPolarHBondContact O-CB 3.37Å; Q405-S409 PolarHBondContact O-N 3.41Å; Q405-S409 PolarHBondContact O-OG 3.29Å
406	E	79.5	Confident	80.1	Confident	67 Å²	67	58.8 Å²	58.8	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-58.4	-41.5	174.3	-164.3	-165.2	141.2	0	0	111.8	E402 K403 M404 K410	E402-E406 PolarHBondContact O-N 3.31Å; K403-E406 IonicContact NZ-OE2 3.7Å; K403-E406 PolarHBondContact NZ-OE2 2.97Å; K403-E406 WeakPolarHBondContact O-CB 3.49Å; K403-E406 PolarHBondContact O-N 3.16Å; M404-E406 VanDerWaalsContact C-N 3.33Å; M404-E406 PolarHBondContact O-N 3.04Å; E406-K410 VanDerWaalsContact O-CG 3.31Å; E406-K410 WeakPolarHBondContact O-CG 3.45Å; E406-K410 PolarHBondContact O-N 3.29Å; E406-K410 IonicContact OE1-NZ 2.67Å; E406-K410 PolarHBondContact OE1-NZ 3.08Å
407	R	84.2	Confident	80.1	Confident	8 Å²	8	51.2 Å²	51.2	3%	0.03	26%	0.255	C	S	.	.	H	α-helix	trans	-69.8	-42.6	176.5	-72	170.2	55.9	-140.6	-10.1	112.2	N307 D314 K403 M404 Q405 K410 L411	N307-R407 WeakPolarHBondContact OD1-CD 3.33Å; D314-R407 IonicContact OD1-NH2 2.69Å; D314-R407 PolarHBondContact OD1-NH2 3.23Å; D314-R407 VanDerWaalsContact OD1-NH2 3.08Å; D314-R407 IonicContact OD2-CZ 3.64Å; D314-R407 IonicContact OD2-NE 3.4Å; D314-R407 PolarHBondContact OD2-NE 3.23Å; D314-R407 IonicContact OD2-NH2 2.58Å; D314-R407 PolarHBondContact OD2-NH2 3.12Å; K403-R407 WeakPolarHBondContact O-CG 3.24Å; K403-R407 PolarHBondContact O-N 3.08Å; M404-R407 WeakPolarHBondContact O-CB 3.26Å; M404-R407 PolarHBondContact O-N 2.87Å; Q405-R407 VanDerWaalsContact C-N 3.3Å; Q405-R407 PolarHBondContact O-N 2.71Å; R407-K410 PolarHBondContact O-N 2.85Å; R407-L411 PolarHBondContact O-N 2.87Å
408	L	84.2	Confident	80.4	Confident	15 Å²	15	49.2 Å²	49.2	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-49	176.5	-175.6	148.8	0	0	0	110.3	I388 K389 I392 M404 Q405 K410 L411 S412	I388-L408 HydrophobicContact CG2-CB 3.98Å; I388-L408 HydrophobicContact CG2-CD1 4.27Å; K389-L408 HydrophobicContact CD-CD1 4.33Å; K389-L408 HydrophobicContact CG-CD1 3.41Å; K389-L408 VanDerWaalsContact CG-CD1 3.41Å; I392-L408 HydrophobicContact CD1-CD1 3.98Å; M404-L408 WeakPolarHBondContact O-CB 3.32Å; M404-L408 PolarHBondContact O-N 3.31Å; Q405-L408 PolarHBondContact O-N 2.89Å; L408-K410 PolarHBondContact O-N 3.14Å; L408-L411 PolarHBondContact O-N 3.35Å; L408-S412 WeakPolarHBondContact O-CB 3.04Å; L408-S412 PolarHBondContact O-N 3.35Å; L408-S412 PolarHBondContact O-OG 3.01Å; L408-S412 VanDerWaalsContact O-OG 3.05Å
409	S	80	Confident	80.7	Confident	13 Å²	13	45.5 Å²	45.5	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-36	177.9	-68.9	0	0	0	0	111.8	E195 Q405 L411 N413	E195-S409 PolarHBondContact OE2-OG 3.06Å; Q405-S409 WeakPolarHBondContact O-CB 3.37Å; Q405-S409 PolarHBondContact O-N 3.41Å; Q405-S409 PolarHBondContact O-OG 3.29Å; S409-L411 VanDerWaalsContact C-N 3.34Å; S409-L411 PolarHBondContact O-N 3.49Å; S409-N413 WeakPolarHBondContact O-CB 3.4Å; S409-N413 PolarHBondContact O-N 3.02Å
410	K	79.7	Confident	81.2	Confident	42 Å²	42	38 Å²	38	18%	0.183	19%	0.189	C	C	.	.	H	α-helix	trans	-70.1	-25.5	175.9	-72.6	169.5	-172.3	169.2	0	114.2	K217 E406 R407 L408	K217-K410 WeakPolarHBondContact O-CE 3.33Å; E406-K410 VanDerWaalsContact O-CG 3.31Å; E406-K410 WeakPolarHBondContact O-CG 3.45Å; E406-K410 PolarHBondContact O-N 3.29Å; E406-K410 IonicContact OE1-NZ 2.67Å; E406-K410 PolarHBondContact OE1-NZ 3.08Å; R407-K410 PolarHBondContact O-N 2.85Å; L408-K410 PolarHBondContact O-N 3.14Å
411	L	80	Confident	81.4	Confident	23 Å²	23	33.4 Å²	33.4	12%	0.12	17%	0.168	C	C	.	.	H	α-helix	trans	-93	-36.7	178	-71.8	174.8	0	0	0	112.4	D314 A318 R384 I385 I388 R407 L408 S409	D314-L411 HydrophobicContact CB-CD1 4.1Å; D314-L411 HydrophobicContact CB-CD2 4.24Å; D314-L411 HydrophobicContact CB-CG 4.42Å; A318-L411 HydrophobicContact CB-CD2 4.24Å; R384-L411 HydrophobicContact CG-CD1 3.92Å; I385-L411 HydrophobicContact CD1-CB 4.22Å; I385-L411 HydrophobicContact CG1-CB 3.86Å; I385-L411 HydrophobicContact CG1-CD1 4.44Å; I388-L411 HydrophobicContact CD1-CD1 3.64Å; R407-L411 PolarHBondContact O-N 2.87Å; L408-L411 PolarHBondContact O-N 3.35Å; S409-L411 VanDerWaalsContact C-N 3.34Å; S409-L411 PolarHBondContact O-N 3.49Å
412	S	74.5	Confident	81.7	Confident	53 Å²	53	31 Å²	31	37%	0.371	16%	0.162	S	C	.	.	H	α-helix	trans	-86.7	-36	-175.6	66.9	0	0	0	0	113.3	L408	L408-S412 WeakPolarHBondContact O-CB 3.04Å; L408-S412 PolarHBondContact O-N 3.35Å; L408-S412 PolarHBondContact O-OG 3.01Å; L408-S412 VanDerWaalsContact O-OG 3.05Å
413	N	68.3	Low	82.1	Confident	45 Å²	45	29.5 Å²	29.5	24%	0.241	17%	0.165	C	C	.	.	S	Bend	trans	-90	121.4	-172.5	-57.3	-16.4	0	0	0	109	S409	S409-N413 WeakPolarHBondContact O-CB 3.4Å; S409-N413 PolarHBondContact O-N 3.02Å
414	G	70.2	Confident	82.3	Confident	18 Å²	18	29.4 Å²	29.4	19%	0.186	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-60.7	160.3	171.3	0	0	0	0	0	111.6	V192 I213	V192-G414 WeakPolarHBondContact CG1-O 3.23Å; I213-G414 CarbonylContact O-C 3.6Å; I213-G414 WeakPolarHBondContact O-CA 3.34Å
415	V	78.5	Confident	82.1	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.6	169.3	-176.2	0	0	0	0	108.1	V197 T199 I213 G215 L372 V417	V197-V415 HydrophobicContact CB-CG1 4.31Å; V197-V415 HydrophobicContact CB-CG2 4.31Å; V197-V415 HydrophobicContact CG1-CG1 4.27Å; V197-V415 CarbonylContact O-C 3.57Å; V197-V415 WeakPolarHBondContact O-CA 3.29Å; T199-V415 HydrophobicContact CG2-CG1 3.61Å; I213-V415 PolarHBondContact N-O 3.46Å; I213-V415 PolarHBondContact O-N 2.95Å; I213-V415 VanDerWaalsContact O-O 3.12Å; G215-V415 VanDerWaalsContact C-CG2 3.44Å; G215-V415 WeakPolarHBondContact O-CG2 3.32Å; L372-V415 HydrophobicContact CD2-CB 3.9Å; L372-V415 HydrophobicContact CD2-CG1 3.76Å; L372-V415 HydrophobicContact CD2-CG2 4.13Å; V415-V417 HydrophobicContact CG1-CG2 4.49Å
416	A	84.6	Confident	82.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.5	167.9	0	0	0	0	0	109.2	A188 V192 V197 I198 T199 L210 E211	A188-A416 HydrophobicContact CB-CB 3.9Å; V192-A416 HydrophobicContact CG2-CB 3.56Å; V197-A416 PolarHBondContact O-N 3.47Å; I198-A416 CarbonylContact C-O 3.6Å; I198-A416 WeakPolarHBondContact CA-O 3.21Å; I198-A416 HydrophobicContact CG1-CB 4.19Å; I198-A416 HydrophobicContact CG2-CB 4.49Å; T199-A416 PolarHBondContact N-O 3.24Å; T199-A416 PolarHBondContact OG1-O 2.86Å; T199-A416 VanDerWaalsContact OG1-O 3.07Å; L210-A416 HydrophobicContact CD1-CB 4Å; E211-A416 CarbonylContact O-C 3.55Å
417	V	84.8	Confident	82.6	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.3	173.5	-172.3	0	0	0	0	107.9	T199 K201 E211 I213 V415 K419	T199-V417 CarbonylContact O-C 3.52Å; T199-V417 WeakPolarHBondContact O-CA 3.48Å; T199-V417 WeakPolarHBondContact OG1-CG2 3.4Å; K201-V417 HydrophobicContact CB-CG1 4.11Å; K201-V417 HydrophobicContact CD-CG1 3.66Å; K201-V417 HydrophobicContact CG-CG1 3.78Å; E211-V417 PolarHBondContact N-O 3.48Å; E211-V417 PolarHBondContact O-N 2.66Å; I213-V417 HydrophobicContact CB-CG2 4.39Å; I213-V417 HydrophobicContact CD1-CB 4.18Å; I213-V417 HydrophobicContact CD1-CG2 3.52Å; I213-V417 HydrophobicContact CG1-CG2 3.95Å; V415-V417 HydrophobicContact CG1-CG2 4.49Å; V417-K419 HydrophobicContact CG1-CG 4.36Å
418	I	88.2	Confident	82.8	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.2	170.8	-58.5	174	0	0	0	107	I185 I198 T199 V200 K201 L210 V420 V435	I185-I418 HydrophobicContact CG1-CD1 4Å; I198-I418 HydrophobicContact CG2-CD1 3.75Å; I198-I418 HydrophobicContact CG2-CG1 4.17Å; T199-I418 PolarHBondContact O-N 3.14Å; V200-I418 CarbonylContact C-O 3.6Å; V200-I418 WeakPolarHBondContact CA-O 3.44Å; K201-I418 PolarHBondContact N-O 2.81Å; L210-I418 HydrophobicContact CD1-CG1 4.04Å; I418-V420 HydrophobicContact CG2-CG2 4.25Å; I418-V435 HydrophobicContact CD1-CG1 4.14Å; I418-V435 HydrophobicContact CG2-CG1 4.21Å
419	K	87	Confident	82.7	Confident	54 Å²	54	33.9 Å²	33.9	24%	0.235	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	111.7	173.1	-63.4	178.8	-171.2	164.7	0	108.2	K201 D208 E209 E211 V417	K201-K419 WeakPolarHBondContact O-CA 3.36Å; D208-K419 CarbonylContact C-O 3.42Å; D208-K419 VanDerWaalsContact CA-O 3.28Å; D208-K419 WeakPolarHBondContact CA-O 3.36Å; E209-K419 HydrophobicContact CB-CB 4.25Å; E209-K419 PolarHBondContact N-O 3.15Å; E209-K419 PolarHBondContact O-N 3.05Å; E211-K419 WeakPolarHBondContact OE2-CE 3.39Å; E211-K419 IonicContact OE2-NZ 2.62Å; E211-K419 PolarHBondContact OE2-NZ 2.85Å; V417-K419 HydrophobicContact CG1-CG 4.36Å
420	V	88.9	Confident	83.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.7	-176.8	-179.1	0	0	0	0	109.1	V200 K201 G203 D208 I418 K431 V435	V200-V420 HydrophobicContact CG1-CG2 3.42Å; V200-V420 VanDerWaalsContact CG1-CG2 3.42Å; K201-V420 PolarHBondContact O-N 2.9Å; G203-V420 WeakPolarHBondContact CA-O 3.43Å; G203-V420 PolarHBondContact N-O 3.29Å; D208-V420 WeakPolarHBondContact OD1-CA 3.28Å; I418-V420 HydrophobicContact CG2-CG2 4.25Å; V420-K431 HydrophobicContact CG1-CB 3.76Å; V420-K431 HydrophobicContact CG1-CD 3.61Å; V420-K431 HydrophobicContact CG1-CG 3.58Å; V420-V435 HydrophobicContact CG2-CB 4.44Å; V420-V435 HydrophobicContact CG2-CG2 3.95Å
421	G	87.5	Confident	83.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.			trans	-86.7	158.8	176.3	0	0	0	0	0	112.1	T205 L206 D208	T205-G421 WeakPolarHBondContact O-CA 2.97Å; L206-G421 CarbonylContact O-C 3.54Å; D208-G421 PolarHBondContact OD1-N 3.43Å
422	G	86.4	Confident	83.7	Confident	18 Å²	18	34.3 Å²	34.3	19%	0.186	20%	0.197	C	C	.	.			trans	-178.4	162.6	175.1	0	0	0	0	0	112.8
423	S	88	Confident	84.2	Confident	95 Å²	95	33.5 Å²	33.5	66%	0.664	19%	0.188	S	C	*	.	S	Bend	trans	-82.5	-27.7	-176	69.8	0	0	0	0	112.9	E427	S423-E427 WeakPolarHBondContact CB-OE2 3.43Å; S423-E427 PolarHBondContact N-OE2 3.43Å; S423-E427 PolarHBondContact OG-OE2 2.68Å
424	S	86.4	Confident	85.1	Confident	54 Å²	54	33.3 Å²	33.3	38%	0.378	18%	0.184	S	C	.	.	S	Bend	trans	-133.7	152.3	-179.6	70.9	0	0	0	0	111.1	V426 E427 V428	S424-V426 PolarHBondContact O-N 3.36Å; S424-E427 WeakPolarHBondContact O-CB 3.11Å; S424-E427 PolarHBondContact O-N 3.35Å; S424-E427 VanDerWaalsContact O-N 3.15Å; S424-E427 VanDerWaalsContact OG-CB 3.25Å; S424-E427 WeakPolarHBondContact OG-CB 3.3Å; S424-E427 PolarHBondContact OG-N 2.65Å; S424-V428 WeakPolarHBondContact O-CG2 3.5Å; S424-V428 PolarHBondContact O-N 3.13Å
425	E	82.2	Confident	85.9	Confident	116 Å²	116	32.6 Å²	32.6	54%	0.542	18%	0.176	S	C	.	.	H	α-helix	trans	-61.5	-33.3	-179.7	-161.8	175.1	-137.8	0	0	112.4	K232 N429	K232-E425 WeakPolarHBondContact CE-OE1 3.23Å; K232-E425 VanDerWaalsContact NZ-CD 3.29Å; K232-E425 IonicContact NZ-OE1 2.79Å; K232-E425 PolarHBondContact NZ-OE1 3.38Å; E425-N429 WeakPolarHBondContact O-CB 3.09Å; E425-N429 PolarHBondContact O-N 2.97Å; E425-N429 PolarHBondContact O-ND2 2.99Å
426	V	85.6	Confident	86.2	Confident	34 Å²	34	34.7 Å²	34.7	21%	0.206	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-41.8	176.3	-178	0	0	0	0	111	I72 S424 N429 E430	I72-V426 HydrophobicContact CB-CG1 3.92Å; I72-V426 HydrophobicContact CD1-CG1 3.83Å; I72-V426 HydrophobicContact CG1-CG1 3.75Å; S424-V426 PolarHBondContact O-N 3.36Å; V426-N429 PolarHBondContact O-N 2.8Å; V426-E430 PolarHBondContact O-N 3.47Å
427	E	86.2	Confident	86.3	Confident	81 Å²	81	36 Å²	36	38%	0.379	19%	0.194	S	C	.	.	H	α-helix	trans	-65	-45.6	176	-178.7	-174.4	-165	0	0	111.5	S423 S424 N429 E430 K431	S423-E427 WeakPolarHBondContact CB-OE2 3.43Å; S423-E427 PolarHBondContact N-OE2 3.43Å; S423-E427 PolarHBondContact OG-OE2 2.68Å; S424-E427 WeakPolarHBondContact O-CB 3.11Å; S424-E427 PolarHBondContact O-N 3.35Å; S424-E427 VanDerWaalsContact O-N 3.15Å; S424-E427 VanDerWaalsContact OG-CB 3.25Å; S424-E427 WeakPolarHBondContact OG-CB 3.3Å; S424-E427 PolarHBondContact OG-N 2.65Å; E427-N429 VanDerWaalsContact C-N 3.3Å; E427-N429 PolarHBondContact O-N 3.49Å; E427-E430 PolarHBondContact O-N 2.76Å; E427-K431 VanDerWaalsContact O-CB 3.29Å; E427-K431 WeakPolarHBondContact O-CB 3.32Å; E427-K431 PolarHBondContact O-N 3.28Å
428	V	87.3	Confident	86.5	Confident	15 Å²	15	36 Å²	36	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-42.5	177.2	175.3	0	0	0	0	110.7	D202 S424 K431 K432	D202-V428 HydrophobicContact CB-CG1 4.4Å; S424-V428 WeakPolarHBondContact O-CG2 3.5Å; S424-V428 PolarHBondContact O-N 3.13Å; V428-K431 PolarHBondContact O-N 3.03Å; V428-K432 WeakPolarHBondContact O-CB 3.37Å; V428-K432 PolarHBondContact O-N 2.86Å
429	N	83.1	Confident	86.4	Confident	47 Å²	47	36.7 Å²	36.7	25%	0.251	20%	0.198	S	C	.	.	H	α-helix	trans	-64.3	-43.8	178.2	-73.5	-32.4	0	0	0	112.4	E425 V426 E427 K432 D433	E425-N429 WeakPolarHBondContact O-CB 3.09Å; E425-N429 PolarHBondContact O-N 2.97Å; E425-N429 PolarHBondContact O-ND2 2.99Å; V426-N429 PolarHBondContact O-N 2.8Å; E427-N429 VanDerWaalsContact C-N 3.3Å; E427-N429 PolarHBondContact O-N 3.49Å; N429-K432 PolarHBondContact O-N 2.92Å; N429-D433 PolarHBondContact O-N 3.37Å
430	E	86.7	Confident	86.4	Confident	24 Å²	24	36.4 Å²	36.4	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-45.5	176.6	-171	-76.6	153.8	0	0	111.3	V426 E427 K432 D433 R434	V426-E430 PolarHBondContact O-N 3.47Å; E427-E430 PolarHBondContact O-N 2.76Å; E430-K432 VanDerWaalsContact C-N 3.32Å; E430-K432 PolarHBondContact O-N 2.98Å; E430-D433 WeakPolarHBondContact O-CB 3.06Å; E430-D433 PolarHBondContact O-N 2.67Å; E430-R434 VanDerWaalsContact CD-NE 3.32Å; E430-R434 PolarHBondContact O-N 2.58Å; E430-R434 VanDerWaalsContact OE1-CD 3.29Å; E430-R434 WeakPolarHBondContact OE1-CD 3.18Å; E430-R434 WeakPolarHBondContact OE1-CG 3.49Å; E430-R434 IonicContact OE1-NE 2.88Å; E430-R434 PolarHBondContact OE1-NE 3.18Å; E430-R434 IonicContact OE2-CZ 3.22Å; E430-R434 IonicContact OE2-NE 2.8Å; E430-R434 PolarHBondContact OE2-NE 3.39Å; E430-R434 IonicContact OE2-NH2 2.88Å; E430-R434 PolarHBondContact OE2-NH2 3.2Å
431	K	87.4	Confident	86.4	Confident	28 Å²	28	36.4 Å²	36.4	12%	0.122	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-38.3	179	-167.6	174.8	-178.9	-170	0	111.6	I181 D208 V420 E427 V428 R434 V435	I181-K431 HydrophobicContact CD1-CG 4.15Å; D208-K431 WeakPolarHBondContact OD1-CE 3.24Å; D208-K431 IonicContact OD1-NZ 3.66Å; D208-K431 PolarHBondContact OD1-NZ 2.91Å; D208-K431 WeakPolarHBondContact OD2-CE 3.26Å; D208-K431 IonicContact OD2-NZ 2.75Å; D208-K431 PolarHBondContact OD2-NZ 2.96Å; V420-K431 HydrophobicContact CG1-CB 3.76Å; V420-K431 HydrophobicContact CG1-CD 3.61Å; V420-K431 HydrophobicContact CG1-CG 3.58Å; E427-K431 VanDerWaalsContact O-CB 3.29Å; E427-K431 WeakPolarHBondContact O-CB 3.32Å; E427-K431 PolarHBondContact O-N 3.28Å; V428-K431 PolarHBondContact O-N 3.03Å; K431-R434 WeakPolarHBondContact O-CB 3.4Å; K431-R434 PolarHBondContact O-N 2.88Å; K431-V435 VanDerWaalsContact O-CG2 3.23Å; K431-V435 WeakPolarHBondContact O-CG2 3.45Å; K431-V435 PolarHBondContact O-N 3.12Å
432	K	85.7	Confident	86.5	Confident	34 Å²	34	36.5 Å²	36.5	15%	0.148	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-42.9	174.2	-178.3	177.3	-170.2	171.8	0	112.1	V200 D202 V428 N429 E430 R434 V435 N436	V200-K432 HydrophobicContact CG1-CG 3.84Å; D202-K432 WeakPolarHBondContact OD1-CD 3.42Å; D202-K432 IonicContact OD1-NZ 3.59Å; D202-K432 PolarHBondContact OD1-NZ 2.91Å; V428-K432 WeakPolarHBondContact O-CB 3.37Å; V428-K432 PolarHBondContact O-N 2.86Å; N429-K432 PolarHBondContact O-N 2.92Å; E430-K432 VanDerWaalsContact C-N 3.32Å; E430-K432 PolarHBondContact O-N 2.98Å; K432-R434 VanDerWaalsContact C-N 3.33Å; K432-V435 PolarHBondContact O-N 3.48Å; K432-N436 VanDerWaalsContact O-CG 3.31Å; K432-N436 PolarHBondContact O-N 2.92Å; K432-N436 PolarHBondContact O-ND2 2.86Å
433	D	85.1	Confident	86.4	Confident	36 Å²	36	39 Å²	39	19%	0.193	21%	0.205	C	C	.	.	H	α-helix	trans	-57.9	-47.6	173.9	-71.8	-12.9	0	0	0	109.5	K71 N429 E430 V435 N436 D437	K71-D433 WeakPolarHBondContact CE-OD2 3.31Å; K71-D433 IonicContact NZ-OD1 3.43Å; K71-D433 IonicContact NZ-OD2 3.78Å; K71-D433 PolarHBondContact NZ-OD2 3.41Å; N429-D433 PolarHBondContact O-N 3.37Å; E430-D433 WeakPolarHBondContact O-CB 3.06Å; E430-D433 PolarHBondContact O-N 2.67Å; D433-V435 PolarHBondContact O-N 3.39Å; D433-N436 PolarHBondContact O-N 3.35Å; D433-D437 VanDerWaalsContact O-CG 3.31Å; D433-D437 PolarHBondContact O-N 3.5Å
434	R	86.2	Confident	86.5	Confident	42 Å²	42	34.6 Å²	34.6	16%	0.158	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-40.9	175.4	-72.4	-167.9	-77.2	137.6	-1.8	114.5	D178 E430 K431 K432 D437 A438	D178-R434 IonicContact OD2-NH1 3.21Å; D178-R434 PolarHBondContact OD2-NH1 3.49Å; E430-R434 VanDerWaalsContact CD-NE 3.32Å; E430-R434 PolarHBondContact O-N 2.58Å; E430-R434 VanDerWaalsContact OE1-CD 3.29Å; E430-R434 WeakPolarHBondContact OE1-CD 3.18Å; E430-R434 WeakPolarHBondContact OE1-CG 3.49Å; E430-R434 IonicContact OE1-NE 2.88Å; E430-R434 PolarHBondContact OE1-NE 3.18Å; E430-R434 IonicContact OE2-CZ 3.22Å; E430-R434 IonicContact OE2-NE 2.8Å; E430-R434 PolarHBondContact OE2-NE 3.39Å; E430-R434 IonicContact OE2-NH2 2.88Å; E430-R434 PolarHBondContact OE2-NH2 3.2Å; K431-R434 WeakPolarHBondContact O-CB 3.4Å; K431-R434 PolarHBondContact O-N 2.88Å; K432-R434 VanDerWaalsContact C-N 3.33Å; R434-D437 PolarHBondContact O-N 3.48Å; R434-A438 WeakPolarHBondContact O-CB 3.47Å; R434-A438 PolarHBondContact O-N 3.22Å
435	V	88.8	Confident	86.6	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-67.5	-39.3	178.7	177.3	0	0	0	0	110.7	I181 V200 I418 V420 K431 K432 D433 M439	I181-V435 HydrophobicContact CD1-CG2 3.86Å; I181-V435 HydrophobicContact CG1-CG2 4.01Å; I181-V435 HydrophobicContact CG2-CB 4.43Å; I181-V435 HydrophobicContact CG2-CG2 3.84Å; V200-V435 HydrophobicContact CB-CG1 4.49Å; V200-V435 HydrophobicContact CG1-CB 4.23Å; V200-V435 HydrophobicContact CG1-CG1 3.98Å; V200-V435 HydrophobicContact CG2-CB 4.39Å; V200-V435 HydrophobicContact CG2-CG1 3.61Å; I418-V435 HydrophobicContact CD1-CG1 4.14Å; I418-V435 HydrophobicContact CG2-CG1 4.21Å; V420-V435 HydrophobicContact CG2-CB 4.44Å; V420-V435 HydrophobicContact CG2-CG2 3.95Å; K431-V435 VanDerWaalsContact O-CG2 3.23Å; K431-V435 WeakPolarHBondContact O-CG2 3.45Å; K431-V435 PolarHBondContact O-N 3.12Å; K432-V435 PolarHBondContact O-N 3.48Å; D433-V435 PolarHBondContact O-N 3.39Å; V435-M439 WeakPolarHBondContact O-CB 3.28Å; V435-M439 PolarHBondContact O-N 3Å
436	N	84.8	Confident	86.9	Confident	45 Å²	45	29 Å²	29	24%	0.241	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-44.5	176.1	-70.7	-41.6	0	0	0	111.4	V200 K432 D433 M439 N440	V200-N436 VanDerWaalsContact CG2-OD1 3.23Å; V200-N436 WeakPolarHBondContact CG2-OD1 3.18Å; K432-N436 VanDerWaalsContact O-CG 3.31Å; K432-N436 PolarHBondContact O-N 2.92Å; K432-N436 PolarHBondContact O-ND2 2.86Å; D433-N436 PolarHBondContact O-N 3.35Å; N436-M439 WeakPolarHBondContact O-CB 3.33Å; N436-M439 PolarHBondContact O-N 3.34Å; N436-N440 VanDerWaalsContact O-CG 3.29Å; N436-N440 PolarHBondContact O-N 2.93Å; N436-N440 PolarHBondContact O-ND2 3.45Å
437	D	86.7	Confident	86.9	Confident	26 Å²	26	33.3 Å²	33.3	14%	0.139	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-46.5	177.8	-65.6	-12.4	0	0	0	110.7	D433 R434 M439 N440 A441	D433-D437 VanDerWaalsContact O-CG 3.31Å; D433-D437 PolarHBondContact O-N 3.5Å; R434-D437 PolarHBondContact O-N 3.48Å; D437-M439 VanDerWaalsContact C-N 3.34Å; D437-M439 PolarHBondContact O-N 2.97Å; D437-N440 PolarHBondContact O-N 3.46Å; D437-A441 WeakPolarHBondContact O-CB 3.15Å; D437-A441 PolarHBondContact O-N 3.1Å
438	A	89.1	Confident	87.1	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-38.1	176.6	0	0	0	0	0	113.1	A171 A175 I181 I185 R434 T442	A171-A438 HydrophobicContact CB-CB 4.5Å; A171-A438 WeakPolarHBondContact O-CB 3.41Å; A175-A438 HydrophobicContact CB-CB 4.14Å; I181-A438 HydrophobicContact CG2-CB 4.34Å; I185-A438 HydrophobicContact CD1-CB 3.42Å; I185-A438 VanDerWaalsContact CD1-CB 3.42Å; R434-A438 WeakPolarHBondContact O-CB 3.47Å; R434-A438 PolarHBondContact O-N 3.22Å; A438-T442 WeakPolarHBondContact O-CG2 3.49Å; A438-T442 PolarHBondContact O-N 3.07Å; A438-T442 PolarHBondContact O-OG1 2.97Å
439	M	86.3	Confident	87.3	Confident	18 Å²	18	31.3 Å²	31.3	9%	0.089	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-41.8	174.3	-179.1	-164.4	60.8	0	0	111.8	I198 V435 N436 D437 T442 K443	I198-M439 HydrophobicContact CB-CG 4.25Å; I198-M439 HydrophobicContact CB-SD 3.78Å; I198-M439 HydrophobicContact CG2-CG 4.38Å; I198-M439 HydrophobicContact CG2-SD 3.98Å; I198-M439 VanDerWaalsContact O-SD 3.33Å; V435-M439 WeakPolarHBondContact O-CB 3.28Å; V435-M439 PolarHBondContact O-N 3Å; N436-M439 WeakPolarHBondContact O-CB 3.33Å; N436-M439 PolarHBondContact O-N 3.34Å; D437-M439 VanDerWaalsContact C-N 3.34Å; D437-M439 PolarHBondContact O-N 2.97Å; M439-T442 WeakPolarHBondContact CA-OG1 3.27Å; M439-T442 PolarHBondContact O-OG1 2.98Å; M439-K443 WeakPolarHBondContact O-CG 3.46Å; M439-K443 PolarHBondContact O-N 3.31Å
440	N	86.2	Confident	87.7	Confident	48 Å²	48	29.4 Å²	29.4	26%	0.257	14%	0.142	S	C	.	.	H	α-helix	trans	-68.7	-42.4	178.3	-67.2	-28.9	0	0	0	111.5	G109 N436 D437 T442 K443 A444	G109-N440 PolarHBondContact O-ND2 3.27Å; N436-N440 VanDerWaalsContact O-CG 3.29Å; N436-N440 PolarHBondContact O-N 2.93Å; N436-N440 PolarHBondContact O-ND2 3.45Å; D437-N440 PolarHBondContact O-N 3.46Å; N440-T442 PolarHBondContact O-N 3.44Å; N440-K443 PolarHBondContact O-N 2.97Å; N440-A444 WeakPolarHBondContact O-CB 3.46Å; N440-A444 PolarHBondContact O-N 3.37Å
441	A	88.9	Confident	88	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-43.3	176.8	0	0	0	0	0	112.3	D110 V170 S174 D437 A444 A445 P536	D110-A441 HydrophobicContact CB-CB 4.3Å; V170-A441 HydrophobicContact CG1-CB 4.11Å; S174-A441 WeakPolarHBondContact OG-CB 3.07Å; D437-A441 WeakPolarHBondContact O-CB 3.15Å; D437-A441 PolarHBondContact O-N 3.1Å; A441-A444 WeakPolarHBondContact O-CB 3.4Å; A441-A444 PolarHBondContact O-N 2.91Å; A441-A445 WeakPolarHBondContact O-CB 3.49Å; A441-A445 PolarHBondContact O-N 2.9Å; A441-P536 HydrophobicContact CB-CG 4Å; A441-P536 VanDerWaalsContact O-CG 3.24Å; A441-P536 WeakPolarHBondContact O-CG 3.36Å
442	T	88.9	Confident	88.2	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-41.8	176	43.8	0	0	0	0	112.9	I167 V170 A171 I185 A438 M439 N440 A445 I446	I167-T442 HydrophobicContact CG2-CG2 4.03Å; V170-T442 HydrophobicContact CB-CG2 4.3Å; V170-T442 HydrophobicContact CG1-CG2 4.13Å; A171-T442 HydrophobicContact CB-CG2 3.64Å; I185-T442 HydrophobicContact CG2-CG2 4.01Å; A438-T442 WeakPolarHBondContact O-CG2 3.49Å; A438-T442 PolarHBondContact O-N 3.07Å; A438-T442 PolarHBondContact O-OG1 2.97Å; M439-T442 WeakPolarHBondContact CA-OG1 3.27Å; M439-T442 PolarHBondContact O-OG1 2.98Å; N440-T442 PolarHBondContact O-N 3.44Å; T442-A445 PolarHBondContact O-N 3.14Å; T442-I446 VanDerWaalsContact O-CG1 3.31Å; T442-I446 WeakPolarHBondContact O-CG1 3.3Å; T442-I446 PolarHBondContact O-N 2.88Å
443	K	85.8	Confident	88.5	Confident	70 Å²	70	25.6 Å²	25.6	30%	0.304	13%	0.126	S	C	.	.	H	α-helix	trans	-60.9	-46.7	172.7	-72.4	176.3	-179.3	176.2	0	111.6	M439 N440 A445 I446 E447	M439-K443 WeakPolarHBondContact O-CG 3.46Å; M439-K443 PolarHBondContact O-N 3.31Å; N440-K443 PolarHBondContact O-N 2.97Å; K443-A445 VanDerWaalsContact C-N 3.26Å; K443-A445 PolarHBondContact O-N 3.01Å; K443-I446 PolarHBondContact O-N 3.28Å; K443-I446 VanDerWaalsContact O-N 3.16Å; K443-E447 WeakPolarHBondContact O-CG 2.97Å; K443-E447 PolarHBondContact O-N 3.32Å; K443-E447 VanDerWaalsContact O-N 3.14Å
444	A	88.4	Confident	88.6	Confident	3 Å²	3	24.7 Å²	24.7	3%	0.025	12%	0.124	C	C	.	.	H	α-helix	trans	-59.7	-35.8	177.1	0	0	0	0	0	112.7	N440 A441 E447 E448 P536 K538 V539	N440-A444 WeakPolarHBondContact O-CB 3.46Å; N440-A444 PolarHBondContact O-N 3.37Å; A441-A444 WeakPolarHBondContact O-CB 3.4Å; A441-A444 PolarHBondContact O-N 2.91Å; A444-E447 PolarHBondContact O-N 3.38Å; A444-E448 PolarHBondContact O-N 3.38Å; A444-P536 HydrophobicContact CB-CB 3.97Å; A444-P536 HydrophobicContact CB-CG 4.5Å; A444-K538 HydrophobicContact CB-CB 4.13Å; A444-K538 HydrophobicContact CB-CD 4Å; A444-K538 HydrophobicContact CB-CG 4.43Å; A444-V539 HydrophobicContact CB-CG2 4.14Å
445	A	89.9	Confident	88.7	Confident	2 Å²	2	23 Å²	23	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-71.4	-35.9	176.7	0	0	0	0	0	112.9	V161 V170 A441 T442 K443 E447 G449 I450 P536	V161-A445 HydrophobicContact CG2-CB 4.1Å; V161-A445 WeakPolarHBondContact CG2-O 3.32Å; V170-A445 HydrophobicContact CG1-CB 4Å; V170-A445 HydrophobicContact CG2-CB 3.98Å; A441-A445 WeakPolarHBondContact O-CB 3.49Å; A441-A445 PolarHBondContact O-N 2.9Å; T442-A445 PolarHBondContact O-N 3.14Å; K443-A445 VanDerWaalsContact C-N 3.26Å; K443-A445 PolarHBondContact O-N 3.01Å; A445-E447 VanDerWaalsContact C-N 3.31Å; A445-G449 WeakPolarHBondContact O-CA 3.39Å; A445-G449 PolarHBondContact O-N 2.82Å; A445-I450 HydrophobicContact CB-CG2 3.79Å; A445-P536 HydrophobicContact CB-CB 4.08Å; A445-P536 HydrophobicContact CB-CG 4.16Å
446	I	87.8	Confident	88.8	Confident	52 Å²	52	23 Å²	23	27%	0.267	12%	0.12	S	C	.	.	H	α-helix	trans	-66.7	-34.8	175.2	-67.8	164.2	0	0	0	111	I167 L189 K194 T442 K443	I167-I446 HydrophobicContact CD1-CD1 4.49Å; L189-I446 HydrophobicContact CD1-CD1 4.32Å; L189-I446 HydrophobicContact CD2-CD1 4.42Å; K194-I446 HydrophobicContact CD-CG2 4.35Å; T442-I446 VanDerWaalsContact O-CG1 3.31Å; T442-I446 WeakPolarHBondContact O-CG1 3.3Å; T442-I446 PolarHBondContact O-N 2.88Å; K443-I446 PolarHBondContact O-N 3.28Å; K443-I446 VanDerWaalsContact O-N 3.16Å
447	E	86.5	Confident	89.1	Confident	123 Å²	123	20.8 Å²	20.8	58%	0.575	11%	0.109	S	C	*	.	H	α-helix	trans	-76.4	-51.4	-178	-71.4	174.8	-163.9	0	0	114.3	K443 A444 A445 K538	K443-E447 WeakPolarHBondContact O-CG 2.97Å; K443-E447 PolarHBondContact O-N 3.32Å; K443-E447 VanDerWaalsContact O-N 3.14Å; A444-E447 PolarHBondContact O-N 3.38Å; A445-E447 VanDerWaalsContact C-N 3.31Å; E447-K538 IonicContact OE1-NZ 3.08Å; E447-K538 WeakPolarHBondContact OE2-CD 3.29Å; E447-K538 WeakPolarHBondContact OE2-CE 3.48Å; E447-K538 IonicContact OE2-NZ 2.81Å; E447-K538 PolarHBondContact OE2-NZ 3.26Å
448	E	89	Confident	89.4	Confident	53 Å²	53	19.7 Å²	19.7	25%	0.248	10%	0.102	C	C	.	.	H	α-helix	trans	-114	-3.4	-173.1	-68.3	-170.7	-150.2	0	0	114.4	S158 A444 K538 R541	S158-E448 PolarHBondContact OG-O 2.74Å; A444-E448 PolarHBondContact O-N 3.38Å; E448-K538 HydrophobicContact CB-CB 4Å; E448-K538 HydrophobicContact CG-CB 3.98Å; E448-K538 WeakPolarHBondContact OE1-CG 3.26Å; E448-R541 IonicContact OE1-CZ 3.64Å; E448-R541 IonicContact OE1-NE 2.79Å; E448-R541 PolarHBondContact OE1-NE 3.43Å; E448-R541 IonicContact OE1-NH2 2.71Å; E448-R541 PolarHBondContact OE1-NH2 3Å; E448-R541 IonicContact OE2-CZ 3.55Å; E448-R541 IonicContact OE2-NE 3.89Å; E448-R541 PolarHBondContact OE2-NE 2.97Å; E448-R541 IonicContact OE2-NH2 2.68Å
449	G	91.3	Very high	89.5	Confident	2 Å²	2	19.7 Å²	19.7	2%	0.021	10%	0.103	C	C	.	.			trans	87.1	-169.4	-176.1	0	0	0	0	0	114.2	K159 A445 T537	K159-G449 CarbonylContact O-C 3.52Å; K159-G449 WeakPolarHBondContact O-CA 3.11Å; A445-G449 WeakPolarHBondContact O-CA 3.39Å; A445-G449 PolarHBondContact O-N 2.82Å; G449-T537 PolarHBondContact O-N 3.43Å; G449-T537 PolarHBondContact O-OG1 3.42Å
450	I	92.8	Very high	89.6	Confident	7 Å²	7	19.6 Å²	19.6	4%	0.036	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.4	-173.1	54	168.3	0	0	0	111.8	K159 V161 E166 V170 A445 I534	K159-I450 HydrophobicContact CB-CG1 4.26Å; K159-I450 PolarHBondContact N-O 3.4Å; K159-I450 WeakPolarHBondContact O-CG1 3.31Å; K159-I450 PolarHBondContact O-N 3.21Å; V161-I450 HydrophobicContact CG2-CB 4.35Å; V161-I450 HydrophobicContact CG2-CD1 4.34Å; V161-I450 HydrophobicContact CG2-CG1 4.07Å; V161-I450 HydrophobicContact CG2-CG2 3.49Å; V161-I450 VanDerWaalsContact CG2-CG2 3.49Å; E166-I450 HydrophobicContact CG-CD1 4.3Å; V170-I450 HydrophobicContact CG2-CG2 3.65Å; A445-I450 HydrophobicContact CB-CG2 3.79Å; I450-I534 HydrophobicContact CB-CB 4.37Å; I450-I534 HydrophobicContact CB-CD1 4.49Å; I450-I534 HydrophobicContact CD1-CB 4.47Å; I450-I534 HydrophobicContact CD1-CD1 3.67Å; I450-I534 HydrophobicContact CD1-CG2 4.32Å; I450-I534 HydrophobicContact CG2-CD1 4.27Å
451	V	92.7	Very high	89.7	Confident	2 Å²	2	17.3 Å²	17.3	1%	0.012	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	160.1	177	-76.6	0	0	0	0	110.6	I157 G453 A457 I534 D535 T537 I540	I157-V451 HydrophobicContact CG2-CG1 4.29Å; V451-G453 PolarHBondContact O-N 3.34Å; V451-A457 HydrophobicContact CB-CB 3.86Å; V451-A457 HydrophobicContact CG2-CB 3.91Å; V451-I534 WeakPolarHBondContact O-CA 3.48Å; V451-D535 VanDerWaalsContact CG2-O 3.27Å; V451-D535 WeakPolarHBondContact CG2-O 3.41Å; V451-D535 PolarHBondContact N-O 3.07Å; V451-D535 PolarHBondContact O-N 2.83Å; V451-T537 HydrophobicContact CG1-CG2 4.43Å; V451-T537 WeakPolarHBondContact CG1-OG1 3.02Å; V451-I540 HydrophobicContact CG2-CD1 3.46Å; V451-I540 VanDerWaalsContact CG2-CD1 3.46Å
452	P	91.8	Very high	89.6	Confident	4 Å²	4	17.8 Å²	17.8	3%	0.026	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	123.8	176.5	24.3	-34.8	0	0	0	111.1	V456 A457 M528 I529	P452-V456 HydrophobicContact CB-CB 4.44Å; P452-V456 HydrophobicContact CB-CG1 4.42Å; P452-A457 HydrophobicContact CG-CB 4.25Å; P452-A457 VanDerWaalsContact O-CB 3.3Å; P452-A457 WeakPolarHBondContact O-CB 3.48Å; P452-A457 PolarHBondContact O-N 2.9Å; P452-A457 VanDerWaalsContact O-N 3.12Å; P452-M528 HydrophobicContact CB-CB 3.96Å; P452-I529 HydrophobicContact CB-CG1 4.36Å
453	G	91.6	Very high	89.5	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-162.1	-170.4	0	0	0	0	0	114.6	V451 G455 V456 M528 I533 D535	V451-G453 PolarHBondContact O-N 3.34Å; G453-G455 PolarHBondContact O-N 2.99Å; G453-G455 VanDerWaalsContact O-N 3.17Å; G453-V456 WeakPolarHBondContact O-CB 3.17Å; G453-V456 WeakPolarHBondContact O-CG2 3.25Å; G453-V456 PolarHBondContact O-N 3.39Å; G453-M528 VanDerWaalsContact O-CE 3.32Å; G453-M528 WeakPolarHBondContact O-CE 3.31Å; G453-I533 PolarHBondContact N-O 3.23Å; G453-D535 VanDerWaalsContact CA-CG 3.43Å; G453-D535 WeakPolarHBondContact CA-OD2 3.42Å
454	G	86.3	Confident	89.5	Confident	16 Å²	16	21 Å²	21	17%	0.165	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	19.5	175	0	0	0	0	0	114.4	V456 D535	G454-V456 VanDerWaalsContact C-N 3.26Å; G454-V456 PolarHBondContact O-N 3.22Å; G454-D535 PolarHBondContact N-OD2 3.16Å
455	G	89.2	Confident	89.3	Confident	8 Å²	8	21 Å²	21	8%	0.082	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	5.5	-173.4	0	0	0	0	0	114.6	G453 L458 L459	G453-G455 PolarHBondContact O-N 2.99Å; G453-G455 VanDerWaalsContact O-N 3.17Å; G455-L458 PolarHBondContact O-N 3.48Å; G455-L459 WeakPolarHBondContact O-CG 3.23Å; G455-L459 PolarHBondContact O-N 3.44Å
456	V	91.7	Very high	89	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-68.2	-42.2	-179.7	178.8	0	0	0	0	111.1	P452 G453 G454 L458 L459 R460 V508 M528	P452-V456 HydrophobicContact CB-CB 4.44Å; P452-V456 HydrophobicContact CB-CG1 4.42Å; G453-V456 WeakPolarHBondContact O-CB 3.17Å; G453-V456 WeakPolarHBondContact O-CG2 3.25Å; G453-V456 PolarHBondContact O-N 3.39Å; G454-V456 VanDerWaalsContact C-N 3.26Å; G454-V456 PolarHBondContact O-N 3.22Å; V456-L458 PolarHBondContact O-N 3.4Å; V456-L459 WeakPolarHBondContact O-CB 3.37Å; V456-L459 PolarHBondContact O-N 2.83Å; V456-R460 HydrophobicContact CG1-CG 4.27Å; V456-R460 WeakPolarHBondContact O-CG 3.44Å; V456-R460 PolarHBondContact O-N 3.49Å; V456-V508 HydrophobicContact CG1-CG1 4.28Å; V456-V508 HydrophobicContact CG2-CG1 4.31Å; V456-M528 HydrophobicContact CG2-CE 4.18Å; V456-M528 HydrophobicContact CG2-CG 4.12Å
457	A	91.3	Very high	88.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-53	-43	176.1	0	0	0	0	0	112.8	L154 V451 P452 R460 C461 I540	L154-A457 HydrophobicContact CD2-CB 3.86Å; V451-A457 HydrophobicContact CB-CB 3.86Å; V451-A457 HydrophobicContact CG2-CB 3.91Å; P452-A457 HydrophobicContact CG-CB 4.25Å; P452-A457 VanDerWaalsContact O-CB 3.3Å; P452-A457 WeakPolarHBondContact O-CB 3.48Å; P452-A457 PolarHBondContact O-N 2.9Å; P452-A457 VanDerWaalsContact O-N 3.12Å; A457-R460 PolarHBondContact O-N 3.45Å; A457-C461 PolarHBondContact O-N 3.05Å; A457-C461 PolarHBondContact O-SG 3.17Å; A457-I540 HydrophobicContact CB-CD1 4.28Å
458	L	91.7	Very high	88.7	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-47.3	175.6	-77.4	179.4	0	0	0	111.3	L118 V150 L154 G455 V456 R460 C461 I486 P489 I540 L544	L118-L458 HydrophobicContact CD1-CD1 4.48Å; V150-L458 HydrophobicContact CG1-CD2 4.3Å; L154-L458 HydrophobicContact CD1-CD2 4.4Å; G455-L458 PolarHBondContact O-N 3.48Å; V456-L458 PolarHBondContact O-N 3.4Å; L458-R460 VanDerWaalsContact C-N 3.29Å; L458-R460 PolarHBondContact O-N 3.35Å; L458-C461 WeakPolarHBondContact O-CB 3.29Å; L458-C461 PolarHBondContact O-N 3.46Å; L458-C461 VanDerWaalsContact O-N 3.08Å; L458-I486 HydrophobicContact CB-CG2 3.78Å; L458-I486 WeakPolarHBondContact O-CG2 3.46Å; L458-P489 HydrophobicContact CD1-CG 3.95Å; L458-I540 HydrophobicContact CD1-CG2 4.19Å; L458-I540 HydrophobicContact CD2-CG2 3.67Å; L458-I540 HydrophobicContact CG-CG2 3.75Å; L458-L544 HydrophobicContact CD2-CD2 4.26Å
459	L	91.2	Very high	88.5	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-36.6	177.4	-70.2	176.9	0	0	0	113	G455 V456 C461 L462 R487 C490 V505 V508 L509	G455-L459 WeakPolarHBondContact O-CG 3.23Å; G455-L459 PolarHBondContact O-N 3.44Å; V456-L459 WeakPolarHBondContact O-CB 3.37Å; V456-L459 PolarHBondContact O-N 2.83Å; L459-C461 PolarHBondContact O-N 2.74Å; L459-L462 HydrophobicContact CD2-CD1 4.12Å; L459-L462 VanDerWaalsContact O-CB 3.29Å; L459-L462 WeakPolarHBondContact O-CB 3.23Å; L459-L462 VanDerWaalsContact O-CG 3.26Å; L459-L462 WeakPolarHBondContact O-CG 3.45Å; L459-L462 PolarHBondContact O-N 3.05Å; L459-R487 HydrophobicContact CD2-CB 4.28Å; L459-R487 HydrophobicContact CD2-CG 3.88Å; L459-C490 HydrophobicContact CD1-CB 3.91Å; L459-C490 HydrophobicContact CG-CB 4.46Å; L459-V505 HydrophobicContact CD1-CG1 4.3Å; L459-V505 HydrophobicContact CD2-CG1 3.88Å; L459-V508 HydrophobicContact CD1-CB 4.3Å; L459-V508 HydrophobicContact CD1-CG1 3.83Å; L459-L509 HydrophobicContact CB-CD2 4.09Å; L459-L509 HydrophobicContact CD2-CD2 4.28Å
460	R	88.6	Confident	88.1	Confident	16 Å²	16	37.2 Å²	37.2	6%	0.06	18%	0.184	C	C	.	.	H	α-helix	trans	-66.2	-28	177.5	-62.8	-59.1	173.7	-151.4	-7.8	112.7	I157 V456 A457 L458 L462 V508 S511 Q513 N514 F516	I157-R460 HydrophobicContact CD1-CB 4.41Å; V456-R460 HydrophobicContact CG1-CG 4.27Å; V456-R460 WeakPolarHBondContact O-CG 3.44Å; V456-R460 PolarHBondContact O-N 3.49Å; A457-R460 PolarHBondContact O-N 3.45Å; L458-R460 VanDerWaalsContact C-N 3.29Å; L458-R460 PolarHBondContact O-N 3.35Å; R460-L462 PolarHBondContact O-N 3.24Å; R460-V508 PolarHBondContact NH1-O 2.97Å; R460-V508 PolarHBondContact NH2-O 2.84Å; R460-S511 PolarHBondContact NH1-O 2.87Å; R460-S511 VanDerWaalsContact NH1-O 3.08Å; R460-Q513 VanDerWaalsContact CZ-O 3.26Å; R460-Q513 PolarHBondContact NH2-O 3.02Å; R460-N514 PolarHBondContact NE-O 3.13Å; R460-F516 PolarHBondContact NH2-O 3.09Å
461	C	87.8	Confident	87.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.4	176.3	-60.6	0	0	0	0	113.5	V150 A457 L458 L459 K463 V464 L465	V150-C461 HydrophobicContact CB-CB 4.37Å; V150-C461 HydrophobicContact CG1-CB 3.87Å; V150-C461 HydrophobicContact CG2-CB 4.08Å; A457-C461 PolarHBondContact O-N 3.05Å; A457-C461 PolarHBondContact O-SG 3.17Å; L458-C461 WeakPolarHBondContact O-CB 3.29Å; L458-C461 PolarHBondContact O-N 3.46Å; L458-C461 VanDerWaalsContact O-N 3.08Å; L459-C461 PolarHBondContact O-N 2.74Å; C461-K463 VanDerWaalsContact C-N 3.26Å; C461-K463 PolarHBondContact O-N 3.42Å; C461-V464 PolarHBondContact O-N 3.2Å; C461-L465 PolarHBondContact O-N 3.44Å
462	L	88.2	Confident	87.7	Confident	9 Å²	9	45.9 Å²	45.9	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-35.2	177.9	-66.5	-177.2	0	0	0	112.8	L459 R460 V464 L465 E466 R483 I486 R487 L509	L459-L462 HydrophobicContact CD2-CD1 4.12Å; L459-L462 VanDerWaalsContact O-CB 3.29Å; L459-L462 WeakPolarHBondContact O-CB 3.23Å; L459-L462 VanDerWaalsContact O-CG 3.26Å; L459-L462 WeakPolarHBondContact O-CG 3.45Å; L459-L462 PolarHBondContact O-N 3.05Å; R460-L462 PolarHBondContact O-N 3.24Å; L462-V464 VanDerWaalsContact C-N 3.27Å; L462-V464 PolarHBondContact O-N 3.2Å; L462-L465 HydrophobicContact CD2-CD1 4.26Å; L462-L465 PolarHBondContact O-N 3.35Å; L462-E466 PolarHBondContact O-N 3.05Å; L462-R483 HydrophobicContact CD2-CB 4.43Å; L462-R483 HydrophobicContact CD2-CG 4.03Å; L462-I486 HydrophobicContact CD2-CB 4.11Å; L462-I486 HydrophobicContact CD2-CD1 4.46Å; L462-I486 HydrophobicContact CD2-CG2 3.71Å; L462-I486 HydrophobicContact CG-CG2 4.1Å; L462-R487 HydrophobicContact CD1-CG 4.2Å; L462-L509 HydrophobicContact CD1-CD1 4.33Å; L462-L509 HydrophobicContact CD1-CD2 3.8Å
463	K	85	Confident	87.6	Confident	101 Å²	101	51.8 Å²	51.8	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-36.9	178.6	-66.9	-177.7	178.1	-179.3	0	112.1	C461 E466	C461-K463 VanDerWaalsContact C-N 3.26Å; C461-K463 PolarHBondContact O-N 3.42Å; K463-E466 PolarHBondContact O-N 3.22Å
464	V	85.8	Confident	87.5	Confident	39 Å²	39	53.4 Å²	53.4	24%	0.236	27%	0.274	C	S	.	.	H	α-helix	trans	-76.4	-34.1	-179.3	-169.3	0	0	0	0	110.7	C149 T153 C461 L462 E466 Q467	C149-V464 WeakPolarHBondContact SG-CG1 3.49Å; T153-V464 HydrophobicContact CG2-CG2 3.73Å; C461-V464 PolarHBondContact O-N 3.2Å; L462-V464 VanDerWaalsContact C-N 3.27Å; L462-V464 PolarHBondContact O-N 3.2Å; V464-E466 PolarHBondContact O-N 3.36Å; V464-Q467 WeakPolarHBondContact O-CB 3.24Å; V464-Q467 PolarHBondContact O-N 2.85Å
465	L	84.8	Confident	87.7	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-22.1	174.8	-69.7	180	0	0	0	113.8	A146 V150 C461 L462 Q467 L468 I479 V482 R483 I486	A146-L465 HydrophobicContact CB-CD2 3.73Å; V150-L465 HydrophobicContact CG2-CD1 3.93Å; V150-L465 HydrophobicContact CG2-CD2 3.76Å; V150-L465 HydrophobicContact CG2-CG 3.92Å; C461-L465 PolarHBondContact O-N 3.44Å; L462-L465 HydrophobicContact CD2-CD1 4.26Å; L462-L465 PolarHBondContact O-N 3.35Å; L465-Q467 VanDerWaalsContact C-N 3.34Å; L465-L468 HydrophobicContact CD2-CD1 3.64Å; L465-I479 HydrophobicContact CB-CG2 4.46Å; L465-V482 HydrophobicContact CD1-CG1 4.13Å; L465-R483 PolarHBondContact O-NH2 3.31Å; L465-I486 HydrophobicContact CD1-CD1 3.67Å
466	E	83.6	Confident	87.8	Confident	141 Å²	141	59.2 Å²	59.2	66%	0.659	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.5	173.9	-69.2	175.8	-180	0	0	113	L462 K463 V464 L468	L462-E466 PolarHBondContact O-N 3.05Å; K463-E466 PolarHBondContact O-N 3.22Å; V464-E466 PolarHBondContact O-N 3.36Å; E466-L468 VanDerWaalsContact C-N 3.34Å
467	Q	84	Confident	87.8	Confident	152 Å²	152	63.6 Å²	63.6	71%	0.71	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-14	-178.9	-61	179.3	-6.7	0	0	112.9	V464 L465 K469	V464-Q467 WeakPolarHBondContact O-CB 3.24Å; V464-Q467 PolarHBondContact O-N 2.85Å; L465-Q467 VanDerWaalsContact C-N 3.34Å; Q467-K469 PolarHBondContact O-N 3.09Å
468	L	84.1	Confident	87.8	Confident	43 Å²	43	63.6 Å²	63.6	23%	0.225	31%	0.31	C	S	.	.			trans	-68.7	126	179.3	-71.2	174.1	0	0	0	111	C149 L465 E466 P470 I479	C149-L468 HydrophobicContact CB-CD1 3.86Å; C149-L468 HydrophobicContact CB-CD2 4.15Å; C149-L468 HydrophobicContact CB-CG 4.43Å; L465-L468 HydrophobicContact CD2-CD1 3.64Å; E466-L468 VanDerWaalsContact C-N 3.34Å; L468-P470 VanDerWaalsContact O-CD 3.26Å; L468-P470 WeakPolarHBondContact O-CD 3.33Å; L468-I479 HydrophobicContact CB-CD1 4.09Å
469	K	84.2	Confident	87.8	Confident	192 Å²	192	63.8 Å²	63.8	84%	0.835	31%	0.31	S	S	*	.			trans	-93.3	105.8	173.5	-65.1	-175.9	-177.4	179.2	0	109.4	Q467	Q467-K469 PolarHBondContact O-N 3.09Å
470	P	84.1	Confident	87.8	Confident	46 Å²	46	67.3 Å²	67.3	30%	0.299	33%	0.327	S	S	.	.			trans	-70.3	149.6	175.8	29.6	-33.7	0	0	0	110.7	L468 Q475 K476 I479	L468-P470 VanDerWaalsContact O-CD 3.26Å; L468-P470 WeakPolarHBondContact O-CD 3.33Å; P470-Q475 HydrophobicContact CB-CB 4.09Å; P470-K476 HydrophobicContact CB-CB 3.99Å; P470-K476 HydrophobicContact CG-CB 3.7Å; P470-K476 HydrophobicContact CG-CD 4.42Å; P470-K476 HydrophobicContact CG-CG 4.03Å; P470-I479 HydrophobicContact CB-CD1 4.02Å; P470-I479 HydrophobicContact CG-CD1 4.47Å
471	T	86.8	Confident	88	Confident	113 Å²	113	66.6 Å²	66.6	69%	0.693	32%	0.324	S	S	*	.	S	Bend	trans	-76.3	-40.3	174.3	-48.3	0	0	0	0	111.4	Q475	T471-Q475 VanDerWaalsContact N-OE1 3.11Å; T471-Q475 PolarHBondContact OG1-OE1 3.46Å
472	N	89.2	Confident	88.3	Confident	78 Å²	78	66.6 Å²	66.6	42%	0.417	32%	0.324	S	S	.	.	S	Bend	trans	-130.6	159.3	-173.4	-62.3	-22.8	0	0	0	111.3	E138 D474 Q475 K476	E138-N472 PolarHBondContact OE2-ND2 3.37Å; N472-D474 VanDerWaalsContact C-N 3.28Å; N472-D474 PolarHBondContact O-N 2.95Å; N472-Q475 HydrophobicContact CB-CG 4.45Å; N472-Q475 WeakPolarHBondContact O-CB 3.47Å; N472-Q475 PolarHBondContact O-N 3.47Å; N472-Q475 VanDerWaalsContact O-N 3.09Å; N472-K476 PolarHBondContact O-N 2.94Å
473	D	90.2	Very high	88.5	Confident	127 Å²	127	68.2 Å²	68.2	68%	0.679	33%	0.33	S	S	*	.	H	α-helix	trans	-59.8	-35.7	177.6	-74.5	-29.5	0	0	0	113.1	Q475 K476 R477	D473-Q475 VanDerWaalsContact C-N 3.35Å; D473-Q475 PolarHBondContact O-N 2.96Å; D473-K476 VanDerWaalsContact O-CB 3.3Å; D473-K476 WeakPolarHBondContact O-CB 3.3Å; D473-K476 PolarHBondContact O-N 3.35Å; D473-R477 WeakPolarHBondContact O-CG 3.47Å; D473-R477 PolarHBondContact O-N 3.05Å
474	D	90	Very high	88.8	Confident	34 Å²	34	67.1 Å²	67.1	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-69	-32.6	176.8	-74.6	-28	0	0	0	112.5	A134 N135 E138 I139 N472 R477 G478	A134-D474 WeakPolarHBondContact CB-OD1 3.28Å; N135-D474 VanDerWaalsContact CB-OD2 3.31Å; N135-D474 WeakPolarHBondContact CB-OD2 3.41Å; N135-D474 PolarHBondContact N-OD2 3.26Å; E138-D474 HydrophobicContact CB-CB 3.65Å; I139-D474 HydrophobicContact CG1-CB 4.42Å; N472-D474 VanDerWaalsContact C-N 3.28Å; N472-D474 PolarHBondContact O-N 2.95Å; D474-R477 WeakPolarHBondContact O-CB 3.47Å; D474-R477 PolarHBondContact O-N 3.29Å; D474-R477 IonicContact OD1-CZ 3.13Å; D474-R477 IonicContact OD1-NH1 2.6Å; D474-R477 PolarHBondContact OD1-NH1 3.36Å; D474-R477 VanDerWaalsContact OD1-NH1 3.13Å; D474-G478 PolarHBondContact O-N 2.86Å
475	Q	90.5	Very high	89.1	Confident	19 Å²	19	65.2 Å²	65.2	9%	0.089	31%	0.314	C	S	.	.	H	α-helix	trans	-69.1	-37.1	171.6	-67.1	-179.5	5.8	0	0	111.1	E138 P470 T471 N472 D473 R477 G478 I479	E138-Q475 PolarHBondContact OE2-NE2 3.25Å; P470-Q475 HydrophobicContact CB-CB 4.09Å; T471-Q475 VanDerWaalsContact N-OE1 3.11Å; T471-Q475 PolarHBondContact OG1-OE1 3.46Å; N472-Q475 HydrophobicContact CB-CG 4.45Å; N472-Q475 WeakPolarHBondContact O-CB 3.47Å; N472-Q475 PolarHBondContact O-N 3.47Å; N472-Q475 VanDerWaalsContact O-N 3.09Å; D473-Q475 VanDerWaalsContact C-N 3.35Å; D473-Q475 PolarHBondContact O-N 2.96Å; Q475-R477 VanDerWaalsContact C-N 3.29Å; Q475-R477 PolarHBondContact O-N 3.47Å; Q475-G478 WeakPolarHBondContact O-CA 3.47Å; Q475-G478 PolarHBondContact O-N 3.1Å; Q475-G478 VanDerWaalsContact O-N 3.08Å; Q475-I479 WeakPolarHBondContact O-CG1 3.31Å; Q475-I479 PolarHBondContact O-N 3.43Å
476	K	91.5	Very high	89.5	Confident	127 Å²	127	65.1 Å²	65.1	55%	0.552	31%	0.313	S	S	*	.	H	α-helix	trans	-59.5	-41.8	172.7	-171.1	178.7	176.7	-179.6	0	111.2	P470 N472 D473 G478 I479 E480	P470-K476 HydrophobicContact CB-CB 3.99Å; P470-K476 HydrophobicContact CG-CB 3.7Å; P470-K476 HydrophobicContact CG-CD 4.42Å; P470-K476 HydrophobicContact CG-CG 4.03Å; N472-K476 PolarHBondContact O-N 2.94Å; D473-K476 VanDerWaalsContact O-CB 3.3Å; D473-K476 WeakPolarHBondContact O-CB 3.3Å; D473-K476 PolarHBondContact O-N 3.35Å; K476-G478 VanDerWaalsContact C-N 3.34Å; K476-I479 PolarHBondContact O-N 3.45Å; K476-E480 PolarHBondContact O-N 3.27Å
477	R	90.6	Very high	90	Very high	94 Å²	94	62.5 Å²	62.5	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-40.9	172.1	-68.4	173.5	177.8	169.6	-8.4	111.6	A134 D473 D474 Q475 I479 E480 I481	A134-R477 VanDerWaalsContact CB-NH1 3.3Å; D473-R477 WeakPolarHBondContact O-CG 3.47Å; D473-R477 PolarHBondContact O-N 3.05Å; D474-R477 WeakPolarHBondContact O-CB 3.47Å; D474-R477 PolarHBondContact O-N 3.29Å; D474-R477 IonicContact OD1-CZ 3.13Å; D474-R477 IonicContact OD1-NH1 2.6Å; D474-R477 PolarHBondContact OD1-NH1 3.36Å; D474-R477 VanDerWaalsContact OD1-NH1 3.13Å; Q475-R477 VanDerWaalsContact C-N 3.29Å; Q475-R477 PolarHBondContact O-N 3.47Å; R477-I479 PolarHBondContact O-N 2.91Å; R477-E480 WeakPolarHBondContact O-CB 3.38Å; R477-E480 PolarHBondContact O-N 3.05Å; R477-I481 WeakPolarHBondContact O-CG1 3.35Å; R477-I481 PolarHBondContact O-N 2.88Å
478	G	91	Very high	90.4	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.8	-44.6	172.2	0	0	0	0	0	113.7	V143 D474 Q475 K476 I481 V482	V143-G478 WeakPolarHBondContact CG2-O 3.4Å; D474-G478 PolarHBondContact O-N 2.86Å; Q475-G478 WeakPolarHBondContact O-CA 3.47Å; Q475-G478 PolarHBondContact O-N 3.1Å; Q475-G478 VanDerWaalsContact O-N 3.08Å; K476-G478 VanDerWaalsContact C-N 3.34Å; G478-I481 WeakPolarHBondContact O-CB 3.26Å; G478-I481 PolarHBondContact O-N 3.21Å; G478-V482 PolarHBondContact O-N 3.41Å
479	I	92.6	Very high	90.8	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-40.7	176	-60.4	166.4	0	0	0	110.9	M145 A146 L465 L468 P470 Q475 K476 R477 I481 V482 R483	M145-I479 HydrophobicContact CE-CD1 3.83Å; M145-I479 HydrophobicContact CE-CG1 4.3Å; A146-I479 HydrophobicContact CB-CG1 4.25Å; A146-I479 HydrophobicContact CB-CG2 4.47Å; L465-I479 HydrophobicContact CB-CG2 4.46Å; L468-I479 HydrophobicContact CB-CD1 4.09Å; P470-I479 HydrophobicContact CB-CD1 4.02Å; P470-I479 HydrophobicContact CG-CD1 4.47Å; Q475-I479 WeakPolarHBondContact O-CG1 3.31Å; Q475-I479 PolarHBondContact O-N 3.43Å; K476-I479 PolarHBondContact O-N 3.45Å; R477-I479 PolarHBondContact O-N 2.91Å; I479-I481 VanDerWaalsContact C-N 3.33Å; I479-I481 PolarHBondContact O-N 3.17Å; I479-V482 PolarHBondContact O-N 3.23Å; I479-R483 PolarHBondContact O-N 2.97Å
480	E	91.7	Very high	91.2	Very high	76 Å²	76	47.3 Å²	47.3	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-37.8	177.2	-173.1	62.1	-137.3	0	0	112.4	K476 R477 V482 R483 K484	K476-E480 PolarHBondContact O-N 3.27Å; R477-E480 WeakPolarHBondContact O-CB 3.38Å; R477-E480 PolarHBondContact O-N 3.05Å; E480-V482 VanDerWaalsContact C-N 3.32Å; E480-V482 PolarHBondContact O-N 3.44Å; E480-R483 WeakPolarHBondContact O-CB 3.31Å; E480-R483 PolarHBondContact O-N 3.41Å; E480-R483 IonicContact OE2-CZ 3.66Å; E480-R483 IonicContact OE2-NH1 2.66Å; E480-R483 PolarHBondContact OE2-NH1 2.84Å; E480-K484 PolarHBondContact O-N 3.4Å
481	I	93	Very high	91.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-58.1	-47.3	174.6	-70.3	160.9	0	0	0	110.2	I122 E125 N129 I139 V143 R477 G478 I479 K484 A485	I122-I481 HydrophobicContact CB-CG2 4.3Å; I122-I481 HydrophobicContact CG1-CG2 4.44Å; I122-I481 HydrophobicContact CG2-CG2 3.98Å; E125-I481 HydrophobicContact CB-CB 4.39Å; E125-I481 HydrophobicContact CB-CG1 3.99Å; E125-I481 HydrophobicContact CB-CG2 4.02Å; N129-I481 WeakPolarHBondContact ND2-CG1 3.43Å; I139-I481 HydrophobicContact CG2-CD1 3.53Å; V143-I481 HydrophobicContact CG2-CB 4.46Å; V143-I481 HydrophobicContact CG2-CG2 4.43Å; R477-I481 WeakPolarHBondContact O-CG1 3.35Å; R477-I481 PolarHBondContact O-N 2.88Å; G478-I481 WeakPolarHBondContact O-CB 3.26Å; G478-I481 PolarHBondContact O-N 3.21Å; I479-I481 VanDerWaalsContact C-N 3.33Å; I479-I481 PolarHBondContact O-N 3.17Å; I481-K484 PolarHBondContact O-N 3.15Å; I481-A485 WeakPolarHBondContact O-CB 3.44Å; I481-A485 PolarHBondContact O-N 3.24Å
482	V	93.1	Very high	92	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-41.2	178	177.2	0	0	0	0	111.2	V143 A146 V147 L465 G478 I479 E480 K484 A485 I486	V143-V482 HydrophobicContact CB-CG2 4.18Å; V143-V482 HydrophobicContact CG1-CG2 3.78Å; V143-V482 HydrophobicContact CG2-CG2 4.22Å; A146-V482 HydrophobicContact CB-CB 3.93Å; A146-V482 HydrophobicContact CB-CG1 4.06Å; A146-V482 HydrophobicContact CB-CG2 3.92Å; V147-V482 HydrophobicContact CG2-CG2 4.35Å; L465-V482 HydrophobicContact CD1-CG1 4.13Å; G478-V482 PolarHBondContact O-N 3.41Å; I479-V482 PolarHBondContact O-N 3.23Å; E480-V482 VanDerWaalsContact C-N 3.32Å; E480-V482 PolarHBondContact O-N 3.44Å; V482-K484 VanDerWaalsContact C-N 3.27Å; V482-K484 PolarHBondContact O-N 3.46Å; V482-A485 PolarHBondContact O-N 3.16Å; V482-A485 VanDerWaalsContact O-N 3.15Å; V482-I486 HydrophobicContact CG1-CD1 3.58Å; V482-I486 HydrophobicContact CG1-CG1 4.02Å; V482-I486 WeakPolarHBondContact O-CB 3.5Å; V482-I486 VanDerWaalsContact O-CG1 3.27Å; V482-I486 WeakPolarHBondContact O-CG1 3.49Å; V482-I486 PolarHBondContact O-N 3.13Å
483	R	92.2	Very high	92.2	Very high	42 Å²	42	40 Å²	40	16%	0.158	18%	0.182	C	C	.	.	H	α-helix	trans	-55	-41.8	175.7	179.6	-179.3	-69.5	111.2	6.2	112	L462 L465 I479 E480	L462-R483 HydrophobicContact CD2-CB 4.43Å; L462-R483 HydrophobicContact CD2-CG 4.03Å; L465-R483 PolarHBondContact O-NH2 3.31Å; I479-R483 PolarHBondContact O-N 2.97Å; E480-R483 WeakPolarHBondContact O-CB 3.31Å; E480-R483 PolarHBondContact O-N 3.41Å; E480-R483 IonicContact OE2-CZ 3.66Å; E480-R483 IonicContact OE2-NH1 2.66Å; E480-R483 PolarHBondContact OE2-NH1 2.84Å
484	K	91.7	Very high	92.3	Very high	78 Å²	78	34 Å²	34	34%	0.339	15%	0.151	S	C	.	.	H	α-helix	trans	-74.4	-41.7	175.6	-69.5	-177.1	178	-174.7	0	112.7	E125 E480 I481 V482 I486 R487	E125-K484 HydrophobicContact CG-CD 4.05Å; E125-K484 VanDerWaalsContact OE1-CD 3.24Å; E125-K484 WeakPolarHBondContact OE1-CD 3.35Å; E125-K484 IonicContact OE1-NZ 3.99Å; E125-K484 PolarHBondContact OE1-NZ 2.92Å; E125-K484 WeakPolarHBondContact OE2-CD 3.46Å; E125-K484 IonicContact OE2-NZ 2.69Å; E125-K484 PolarHBondContact OE2-NZ 3.23Å; E480-K484 PolarHBondContact O-N 3.4Å; I481-K484 PolarHBondContact O-N 3.15Å; V482-K484 VanDerWaalsContact C-N 3.27Å; V482-K484 PolarHBondContact O-N 3.46Å; K484-I486 PolarHBondContact O-N 3.15Å; K484-R487 PolarHBondContact O-N 3.4Å
485	A	93.1	Very high	92.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-41.7	-178.4	0	0	0	0	0	112.5	L118 A121 I122 I481 V482 R487 Q488 P489	L118-A485 WeakPolarHBondContact CD2-O 3.24Å; A121-A485 HydrophobicContact CB-CB 3.85Å; I122-A485 HydrophobicContact CD1-CB 4.33Å; I122-A485 HydrophobicContact CG1-CB 3.53Å; I481-A485 WeakPolarHBondContact O-CB 3.44Å; I481-A485 PolarHBondContact O-N 3.24Å; V482-A485 PolarHBondContact O-N 3.16Å; V482-A485 VanDerWaalsContact O-N 3.15Å; A485-R487 PolarHBondContact O-N 3.46Å; A485-R487 VanDerWaalsContact O-N 3.13Å; A485-Q488 VanDerWaalsContact O-CB 3.28Å; A485-Q488 WeakPolarHBondContact O-CB 3.28Å; A485-Q488 PolarHBondContact O-N 2.71Å; A485-P489 WeakPolarHBondContact O-CD 3.46Å
486	I	92.3	Very high	92.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26	179.4	-77.1	177.2	0	0	0	113	V150 L458 L462 L465 V482 K484 P489	V150-I486 HydrophobicContact CG1-CD1 4.36Å; V150-I486 HydrophobicContact CG2-CD1 3.74Å; L458-I486 HydrophobicContact CB-CG2 3.78Å; L458-I486 WeakPolarHBondContact O-CG2 3.46Å; L462-I486 HydrophobicContact CD2-CB 4.11Å; L462-I486 HydrophobicContact CD2-CD1 4.46Å; L462-I486 HydrophobicContact CD2-CG2 3.71Å; L462-I486 HydrophobicContact CG-CG2 4.1Å; L465-I486 HydrophobicContact CD1-CD1 3.67Å; V482-I486 HydrophobicContact CG1-CD1 3.58Å; V482-I486 HydrophobicContact CG1-CG1 4.02Å; V482-I486 WeakPolarHBondContact O-CB 3.5Å; V482-I486 VanDerWaalsContact O-CG1 3.27Å; V482-I486 WeakPolarHBondContact O-CG1 3.49Å; V482-I486 PolarHBondContact O-N 3.13Å; K484-I486 PolarHBondContact O-N 3.15Å; I486-P489 WeakPolarHBondContact O-CD 3.47Å
487	R	93.2	Very high	92.6	Very high	86 Å²	86	34.3 Å²	34.3	33%	0.325	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-24.2	176.6	-61.8	178.9	-178.7	-157.3	-2.5	112.8	L459 L462 K484 A485 C490 M491 V505	L459-R487 HydrophobicContact CD2-CB 4.28Å; L459-R487 HydrophobicContact CD2-CG 3.88Å; L462-R487 HydrophobicContact CD1-CG 4.2Å; K484-R487 PolarHBondContact O-N 3.4Å; A485-R487 PolarHBondContact O-N 3.46Å; A485-R487 VanDerWaalsContact O-N 3.13Å; R487-C490 PolarHBondContact O-N 2.95Å; R487-M491 HydrophobicContact CB-SD 4.39Å; R487-M491 WeakPolarHBondContact O-CG 3.42Å; R487-M491 PolarHBondContact O-N 2.92Å; R487-M491 VanDerWaalsContact O-N 3.09Å; R487-V505 HydrophobicContact CB-CG1 4.44Å; R487-V505 HydrophobicContact CG-CG1 4.32Å
488	Q	93.3	Very high	92.6	Very high	58 Å²	58	33.1 Å²	33.1	27%	0.271	17%	0.17	S	C	.	.	H	α-helix	trans	-64.8	-38.5	-169.5	-65.2	-65.4	-41.5	0	0	115	V117 A121 A485 M491 T492	V117-Q488 HydrophobicContact CG1-CB 3.87Å; A121-Q488 HydrophobicContact CB-CB 4.28Å; A121-Q488 HydrophobicContact CB-CG 3.63Å; A485-Q488 VanDerWaalsContact O-CB 3.28Å; A485-Q488 WeakPolarHBondContact O-CB 3.28Å; A485-Q488 PolarHBondContact O-N 2.71Å; Q488-M491 PolarHBondContact O-N 2.76Å; Q488-T492 WeakPolarHBondContact O-CB 3.39Å; Q488-T492 PolarHBondContact O-N 2.92Å; Q488-T492 PolarHBondContact O-OG1 3Å
489	P	93.6	Very high	92.6	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-49.3	176.7	-27.7	37.2	0	0	0	112.5	L118 L458 A485 I486 M491 T492 I493	L118-P489 HydrophobicContact CD2-CG 3.73Å; L118-P489 HydrophobicContact CG-CG 4Å; L458-P489 HydrophobicContact CD1-CG 3.95Å; A485-P489 WeakPolarHBondContact O-CD 3.46Å; I486-P489 WeakPolarHBondContact O-CD 3.47Å; P489-M491 PolarHBondContact O-N 3.44Å; P489-T492 PolarHBondContact O-N 3.3Å; P489-I493 VanDerWaalsContact O-CG1 3.3Å; P489-I493 WeakPolarHBondContact O-CG1 3.27Å; P489-I493 PolarHBondContact O-N 3.36Å
490	C	92.5	Very high	92.5	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-42.1	177.6	-170.9	0	0	0	0	111.4	L459 R487 T492 I493 A494 V505	L459-C490 HydrophobicContact CD1-CB 3.91Å; L459-C490 HydrophobicContact CG-CB 4.46Å; R487-C490 PolarHBondContact O-N 2.95Å; C490-T492 VanDerWaalsContact C-N 3.33Å; C490-T492 PolarHBondContact O-N 2.76Å; C490-I493 PolarHBondContact O-N 2.85Å; C490-A494 WeakPolarHBondContact O-CB 3.4Å; C490-A494 PolarHBondContact O-N 3.49Å; C490-V505 HydrophobicContact CB-CG2 3.99Å
491	M	93.5	Very high	92.5	Very high	48 Å²	48	36.9 Å²	36.9	24%	0.236	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-41	175.1	-69.8	-177.3	72.7	0	0	112.6	R487 Q488 P489 A494 K495 S501 V505	R487-M491 HydrophobicContact CB-SD 4.39Å; R487-M491 WeakPolarHBondContact O-CG 3.42Å; R487-M491 PolarHBondContact O-N 2.92Å; R487-M491 VanDerWaalsContact O-N 3.09Å; Q488-M491 PolarHBondContact O-N 2.76Å; P489-M491 PolarHBondContact O-N 3.44Å; M491-A494 PolarHBondContact O-N 3.15Å; M491-K495 VanDerWaalsContact O-CB 3.23Å; M491-K495 WeakPolarHBondContact O-CB 3.48Å; M491-K495 PolarHBondContact O-N 3.47Å; M491-S501 VanDerWaalsContact O-CB 3.25Å; M491-S501 WeakPolarHBondContact O-CB 3.43Å; M491-V505 HydrophobicContact CG-CG2 3.59Å
492	T	93.6	Very high	92.4	Very high	10 Å²	10	39.4 Å²	39.4	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-70.3	-41.5	-177.4	-56.6	0	0	0	0	110.8	A51 M54 V117 Q488 P489 C490 A494 K495 N496	A51-T492 HydrophobicContact CB-CG2 4.14Å; M54-T492 HydrophobicContact CB-CG2 4.06Å; M54-T492 HydrophobicContact CG-CG2 4.39Å; M54-T492 HydrophobicContact SD-CG2 3.7Å; V117-T492 HydrophobicContact CG2-CG2 4.38Å; Q488-T492 WeakPolarHBondContact O-CB 3.39Å; Q488-T492 PolarHBondContact O-N 2.92Å; Q488-T492 PolarHBondContact O-OG1 3Å; P489-T492 PolarHBondContact O-N 3.3Å; C490-T492 VanDerWaalsContact C-N 3.33Å; C490-T492 PolarHBondContact O-N 2.76Å; T492-A494 PolarHBondContact O-N 3.42Å; T492-K495 PolarHBondContact O-N 3Å; T492-N496 WeakPolarHBondContact O-CB 3.36Å; T492-N496 VanDerWaalsContact O-CG 3.3Å; T492-N496 PolarHBondContact O-N 3.13Å
493	I	93.4	Very high	92.3	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.138	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-48	173.4	-67.3	166.7	0	0	0	110.5	M54 P489 C490 N496 A497 A520	M54-I493 HydrophobicContact CG-CG1 3.78Å; M54-I493 HydrophobicContact SD-CG1 4.03Å; P489-I493 VanDerWaalsContact O-CG1 3.3Å; P489-I493 WeakPolarHBondContact O-CG1 3.27Å; P489-I493 PolarHBondContact O-N 3.36Å; C490-I493 PolarHBondContact O-N 2.85Å; I493-N496 PolarHBondContact O-N 3.29Å; I493-A497 WeakPolarHBondContact O-CB 3.34Å; I493-A497 PolarHBondContact O-N 2.7Å; I493-A520 HydrophobicContact CG2-CB 3.54Å
494	A	92.4	Very high	92.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-42.3	178	0	0	0	0	0	112.5	C490 M491 T492 N496 A497 G498 V499 V504	C490-A494 WeakPolarHBondContact O-CB 3.4Å; C490-A494 PolarHBondContact O-N 3.49Å; M491-A494 PolarHBondContact O-N 3.15Å; T492-A494 PolarHBondContact O-N 3.42Å; A494-N496 PolarHBondContact O-N 3.47Å; A494-A497 WeakPolarHBondContact O-CB 3.36Å; A494-A497 PolarHBondContact O-N 2.92Å; A494-G498 PolarHBondContact O-N 3.2Å; A494-V499 HydrophobicContact CB-CG2 3.94Å; A494-V499 VanDerWaalsContact O-CG2 3.23Å; A494-V499 WeakPolarHBondContact O-CG2 3.42Å; A494-V499 PolarHBondContact O-N 3.09Å; A494-V504 HydrophobicContact CB-CB 4.17Å; A494-V504 HydrophobicContact CB-CG1 4.3Å; A494-V504 HydrophobicContact CB-CG2 4.15Å
495	K	93.8	Very high	92	Very high	152 Å²	152	39.4 Å²	39.4	66%	0.661	22%	0.221	S	C	*	.	H	α-helix	trans	-62.1	-43.4	176.6	-175.6	-179.8	179	-175.5	0	111.4	M491 T492 A497 G498	M491-K495 VanDerWaalsContact O-CB 3.23Å; M491-K495 WeakPolarHBondContact O-CB 3.48Å; M491-K495 PolarHBondContact O-N 3.47Å; T492-K495 PolarHBondContact O-N 3Å; K495-A497 VanDerWaalsContact C-N 3.27Å; K495-A497 PolarHBondContact O-N 2.96Å; K495-G498 PolarHBondContact O-N 3.24Å
496	N	93.4	Very high	91.9	Very high	18 Å²	18	44.3 Å²	44.3	10%	0.096	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-32.1	177.4	-73.4	-9.6	0	0	0	112.2	A51 M54 R59 T492 I493 A494 G498	A51-N496 PolarHBondContact O-ND2 2.93Å; M54-N496 PolarHBondContact O-ND2 3.12Å; R59-N496 PolarHBondContact NH1-O 3.45Å; T492-N496 WeakPolarHBondContact O-CB 3.36Å; T492-N496 VanDerWaalsContact O-CG 3.3Å; T492-N496 PolarHBondContact O-N 3.13Å; I493-N496 PolarHBondContact O-N 3.29Å; A494-N496 PolarHBondContact O-N 3.47Å; N496-G498 PolarHBondContact O-N 3.24Å
497	A	90.9	Very high	91.8	Very high	16 Å²	16	49.4 Å²	49.4	13%	0.132	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.2	172.2	0	0	0	0	0	114.4	K57 I493 A494 K495 V499 A520	K57-A497 HydrophobicContact CB-CB 4.35Å; K57-A497 HydrophobicContact CD-CB 3.85Å; I493-A497 WeakPolarHBondContact O-CB 3.34Å; I493-A497 PolarHBondContact O-N 2.7Å; A494-A497 WeakPolarHBondContact O-CB 3.36Å; A494-A497 PolarHBondContact O-N 2.92Å; K495-A497 VanDerWaalsContact C-N 3.27Å; K495-A497 PolarHBondContact O-N 2.96Å; A497-V499 HydrophobicContact CB-CG2 4.36Å; A497-A520 HydrophobicContact CB-CB 4.12Å
498	G	90.6	Very high	91.5	Very high	68 Å²	68	45.3 Å²	45.3	70%	0.701	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	17.7	178.3	0	0	0	0	0	114.4	A494 K495 N496	A494-G498 PolarHBondContact O-N 3.2Å; K495-G498 PolarHBondContact O-N 3.24Å; N496-G498 PolarHBondContact O-N 3.24Å
499	V	90.7	Very high	91.2	Very high	54 Å²	54	44.4 Å²	44.4	33%	0.327	25%	0.248	S	C	.	.	S	Bend	trans	-108.8	161.9	178.4	-63.6	0	0	0	0	111.6	A494 A497 S501 V504 Y518	A494-V499 HydrophobicContact CB-CG2 3.94Å; A494-V499 VanDerWaalsContact O-CG2 3.23Å; A494-V499 WeakPolarHBondContact O-CG2 3.42Å; A494-V499 PolarHBondContact O-N 3.09Å; A497-V499 HydrophobicContact CB-CG2 4.36Å; V499-S501 PolarHBondContact O-N 3.44Å; V499-V504 HydrophobicContact CG2-CG2 3.98Å; V499-Y518 HydrophobicContact CG2-CE1 3.88Å
500	D	91.3	Very high	90.9	Very high	83 Å²	83	49 Å²	49	44%	0.444	28%	0.276	S	S	.	.			trans	-67.5	102.6	178.7	-173.2	-3.5	0	0	0	111.1	A502 Q503 V504	D500-A502 VanDerWaalsContact C-N 3.27Å; D500-A502 PolarHBondContact O-N 3.03Å; D500-A502 PolarHBondContact OD1-N 3.17Å; D500-Q503 HydrophobicContact CB-CB 4.3Å; D500-Q503 HydrophobicContact CB-CG 4.21Å; D500-Q503 PolarHBondContact O-N 3.05Å; D500-Q503 VanDerWaalsContact OD2-CD 3.32Å; D500-Q503 VanDerWaalsContact OD2-CG 3.32Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.3Å; D500-Q503 PolarHBondContact OD2-NE2 2.87Å; D500-V504 WeakPolarHBondContact O-CG2 3.24Å; D500-V504 PolarHBondContact O-N 3.38Å
501	S	90.7	Very high	90.3	Very high	23 Å²	23	50.2 Å²	50.2	16%	0.161	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-35.5	-177.1	60.9	0	0	0	0	114.4	M491 V499 V505	M491-S501 VanDerWaalsContact O-CB 3.25Å; M491-S501 WeakPolarHBondContact O-CB 3.43Å; V499-S501 PolarHBondContact O-N 3.44Å; S501-V505 WeakPolarHBondContact O-CG2 3.46Å; S501-V505 PolarHBondContact O-N 3.46Å
502	A	90.7	Very high	89.4	Confident	55 Å²	55	54.8 Å²	54.8	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-72.3	-41.3	-177.1	0	0	0	0	0	111	D500 V504 V505 E506	D500-A502 VanDerWaalsContact C-N 3.27Å; D500-A502 PolarHBondContact O-N 3.03Å; D500-A502 PolarHBondContact OD1-N 3.17Å; A502-V504 VanDerWaalsContact C-N 3.34Å; A502-V504 PolarHBondContact O-N 3.25Å; A502-V505 PolarHBondContact O-N 2.88Å; A502-E506 WeakPolarHBondContact O-CB 3.49Å; A502-E506 PolarHBondContact O-N 3.43Å
503	Q	91	Very high	88.7	Confident	110 Å²	110	60.2 Å²	60.2	51%	0.514	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-39	177.2	-69.9	-179.1	30.9	0	0	112.3	D500 K507	D500-Q503 HydrophobicContact CB-CB 4.3Å; D500-Q503 HydrophobicContact CB-CG 4.21Å; D500-Q503 PolarHBondContact O-N 3.05Å; D500-Q503 VanDerWaalsContact OD2-CD 3.32Å; D500-Q503 VanDerWaalsContact OD2-CG 3.32Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.3Å; D500-Q503 PolarHBondContact OD2-NE2 2.87Å; Q503-K507 WeakPolarHBondContact O-CB 3.36Å; Q503-K507 WeakPolarHBondContact O-CG 3.33Å; Q503-K507 PolarHBondContact O-N 3.41Å
504	V	89.4	Confident	88	Confident	5 Å²	5	64 Å²	64	3%	0.03	36%	0.355	C	S	.	.	H	α-helix	trans	-63.1	-50	178.3	174.3	0	0	0	0	110.7	A494 V499 D500 A502 E506 K507 V508 Y518 Y525	A494-V504 HydrophobicContact CB-CB 4.17Å; A494-V504 HydrophobicContact CB-CG1 4.3Å; A494-V504 HydrophobicContact CB-CG2 4.15Å; V499-V504 HydrophobicContact CG2-CG2 3.98Å; D500-V504 WeakPolarHBondContact O-CG2 3.24Å; D500-V504 PolarHBondContact O-N 3.38Å; A502-V504 VanDerWaalsContact C-N 3.34Å; A502-V504 PolarHBondContact O-N 3.25Å; V504-E506 VanDerWaalsContact C-N 3.35Å; V504-E506 PolarHBondContact O-N 2.68Å; V504-K507 PolarHBondContact O-N 3.22Å; V504-V508 VanDerWaalsContact O-CG2 3.32Å; V504-V508 WeakPolarHBondContact O-CG2 3.34Å; V504-V508 PolarHBondContact O-N 3.24Å; V504-Y518 HydrophobicContact CG1-CD1 3.67Å; V504-Y518 HydrophobicContact CG1-CD2 4.28Å; V504-Y518 HydrophobicContact CG1-CE1 4.43Å; V504-Y518 HydrophobicContact CG1-CG 3.57Å; V504-Y518 HydrophobicContact CG2-CD1 4.29Å; V504-Y518 HydrophobicContact CG2-CE1 4.26Å; V504-Y518 HydrophobicContact CG2-CG 4.43Å; V504-Y525 WeakPolarHBondContact CA-OH 3.34Å
505	V	89.6	Confident	87.7	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.024	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-44.4	179.4	172.3	0	0	0	0	111.2	L459 R487 C490 M491 S501 A502 K507 V508 L509	L459-V505 HydrophobicContact CD1-CG1 4.3Å; L459-V505 HydrophobicContact CD2-CG1 3.88Å; R487-V505 HydrophobicContact CB-CG1 4.44Å; R487-V505 HydrophobicContact CG-CG1 4.32Å; C490-V505 HydrophobicContact CB-CG2 3.99Å; M491-V505 HydrophobicContact CG-CG2 3.59Å; S501-V505 WeakPolarHBondContact O-CG2 3.46Å; S501-V505 PolarHBondContact O-N 3.46Å; A502-V505 PolarHBondContact O-N 2.88Å; V505-K507 PolarHBondContact O-N 3.26Å; V505-V508 PolarHBondContact O-N 3.39Å; V505-L509 HydrophobicContact CG1-CD1 3.79Å; V505-L509 HydrophobicContact CG1-CG 4.31Å; V505-L509 VanDerWaalsContact O-CG 3.26Å; V505-L509 WeakPolarHBondContact O-CG 3.32Å; V505-L509 PolarHBondContact O-N 3.4Å
506	E	90.6	Very high	87.5	Confident	103 Å²	103	60.5 Å²	60.5	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-43.9	-179.8	-165.7	59.4	-149.4	0	0	111.7	A502 V504 V508 L509 V510	A502-E506 WeakPolarHBondContact O-CB 3.49Å; A502-E506 PolarHBondContact O-N 3.43Å; V504-E506 VanDerWaalsContact C-N 3.35Å; V504-E506 PolarHBondContact O-N 2.68Å; E506-V508 VanDerWaalsContact C-N 3.34Å; E506-V508 PolarHBondContact O-N 3.48Å; E506-L509 PolarHBondContact O-N 3.38Å; E506-V510 HydrophobicContact CG-CG2 4.49Å; E506-V510 VanDerWaalsContact O-CG2 3.28Å; E506-V510 WeakPolarHBondContact O-CG2 3.39Å; E506-V510 PolarHBondContact O-N 2.69Å
507	K	89.3	Confident	87.4	Confident	107 Å²	107	59.6 Å²	59.6	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-40.5	176	-77.9	174.8	174.2	-179.9	0	112.7	Q503 V504 V505 L509 S511 Y525	Q503-K507 WeakPolarHBondContact O-CB 3.36Å; Q503-K507 WeakPolarHBondContact O-CG 3.33Å; Q503-K507 PolarHBondContact O-N 3.41Å; V504-K507 PolarHBondContact O-N 3.22Å; V505-K507 PolarHBondContact O-N 3.26Å; K507-L509 VanDerWaalsContact C-N 3.33Å; K507-S511 PolarHBondContact O-N 3.04Å; K507-S511 PolarHBondContact O-OG 3.21Å; K507-Y525 HydrophobicContact CB-CE1 3.82Å; K507-Y525 HydrophobicContact CD-CE1 4.28Å; K507-Y525 HydrophobicContact CD-CE2 4.06Å; K507-Y525 VanDerWaalsContact CD-OH 3.23Å; K507-Y525 WeakPolarHBondContact CD-OH 3.33Å
508	V	88.1	Confident	87.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-38.3	176.7	172.2	0	0	0	0	111.3	V456 L459 R460 V504 V505 E506 Y525	V456-V508 HydrophobicContact CG1-CG1 4.28Å; V456-V508 HydrophobicContact CG2-CG1 4.31Å; L459-V508 HydrophobicContact CD1-CB 4.3Å; L459-V508 HydrophobicContact CD1-CG1 3.83Å; R460-V508 PolarHBondContact NH1-O 2.97Å; R460-V508 PolarHBondContact NH2-O 2.84Å; V504-V508 VanDerWaalsContact O-CG2 3.32Å; V504-V508 WeakPolarHBondContact O-CG2 3.34Å; V504-V508 PolarHBondContact O-N 3.24Å; V505-V508 PolarHBondContact O-N 3.39Å; E506-V508 VanDerWaalsContact C-N 3.34Å; E506-V508 PolarHBondContact O-N 3.48Å; V508-Y525 HydrophobicContact CG2-CE1 4.22Å
509	L	86.8	Confident	87.4	Confident	40 Å²	40	57.5 Å²	57.5	21%	0.209	31%	0.305	C	S	.	.	H	α-helix	trans	-70.9	-38.9	179.4	-71.4	173.3	0	0	0	113.4	L459 L462 V505 E506 K507 S511	L459-L509 HydrophobicContact CB-CD2 4.09Å; L459-L509 HydrophobicContact CD2-CD2 4.28Å; L462-L509 HydrophobicContact CD1-CD1 4.33Å; L462-L509 HydrophobicContact CD1-CD2 3.8Å; V505-L509 HydrophobicContact CG1-CD1 3.79Å; V505-L509 HydrophobicContact CG1-CG 4.31Å; V505-L509 VanDerWaalsContact O-CG 3.26Å; V505-L509 WeakPolarHBondContact O-CG 3.32Å; V505-L509 PolarHBondContact O-N 3.4Å; E506-L509 PolarHBondContact O-N 3.38Å; K507-L509 VanDerWaalsContact C-N 3.33Å; L509-S511 VanDerWaalsContact C-N 3.28Å; L509-S511 PolarHBondContact O-N 2.76Å
510	V	86.4	Confident	87.4	Confident	100 Å²	100	55.1 Å²	55.1	61%	0.606	29%	0.291	S	S	*	.	H	α-helix	trans	-65.5	-32.1	178.9	171.2	0	0	0	0	111.8	E506 N512	E506-V510 HydrophobicContact CG-CG2 4.49Å; E506-V510 VanDerWaalsContact O-CG2 3.28Å; E506-V510 WeakPolarHBondContact O-CG2 3.39Å; E506-V510 PolarHBondContact O-N 2.69Å; V510-N512 PolarHBondContact O-N 3.06Å
511	S	79.8	Confident	87.2	Confident	31 Å²	31	55.8 Å²	55.8	22%	0.217	29%	0.294	C	S	.	.			trans	-68.8	129.1	178.6	-68.5	0	0	0	0	112.4	R460 K507 L509 Q513 F516	R460-S511 PolarHBondContact NH1-O 2.87Å; R460-S511 VanDerWaalsContact NH1-O 3.08Å; K507-S511 PolarHBondContact O-N 3.04Å; K507-S511 PolarHBondContact O-OG 3.21Å; L509-S511 VanDerWaalsContact C-N 3.28Å; L509-S511 PolarHBondContact O-N 2.76Å; S511-Q513 VanDerWaalsContact C-N 3.32Å; S511-Q513 PolarHBondContact O-N 3.5Å; S511-F516 WeakPolarHBondContact OG-CD1 3.49Å; S511-F516 WeakPolarHBondContact OG-CE1 3.22Å
512	N	74.7	Confident	87	Confident	143 Å²	143	63.2 Å²	63.2	77%	0.765	32%	0.319	S	S	*	.			trans	-77.6	-13.6	179.6	-74.5	-32.6	0	0	0	114.2	V510	V510-N512 PolarHBondContact O-N 3.06Å
513	Q	79.2	Confident	86.9	Confident	125 Å²	125	62.1 Å²	62.1	58%	0.584	31%	0.313	S	S	*	.			trans	-76.2	126.9	178.6	-72.4	175.9	-15.5	0	0	110.5	R460 S511 N515 F516	R460-Q513 VanDerWaalsContact CZ-O 3.26Å; R460-Q513 PolarHBondContact NH2-O 3.02Å; S511-Q513 VanDerWaalsContact C-N 3.32Å; S511-Q513 PolarHBondContact O-N 3.5Å; Q513-N515 VanDerWaalsContact C-N 3.28Å; Q513-N515 PolarHBondContact O-N 3.44Å; Q513-F516 HydrophobicContact CB-CB 3.8Å; Q513-F516 PolarHBondContact O-N 3.44Å
514	N	78.8	Confident	86.9	Confident	106 Å²	106	62.3 Å²	62.3	57%	0.567	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-36.3	-176.4	-73	-10.7	0	0	0	112.8	R460	R460-N514 PolarHBondContact NE-O 3.13Å
515	N	85.5	Confident	87	Confident	40 Å²	40	65.5 Å²	65.5	21%	0.214	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-4.2	-175.7	-50.4	-17.6	0	0	0	113.7	Q513 G517 D527 M528 I529	Q513-N515 VanDerWaalsContact C-N 3.28Å; Q513-N515 PolarHBondContact O-N 3.44Å; N515-G517 PolarHBondContact O-N 3.33Å; N515-D527 VanDerWaalsContact CB-CG 3.43Å; N515-D527 WeakPolarHBondContact CB-OD1 3.44Å; N515-D527 VanDerWaalsContact CB-OD2 3.26Å; N515-D527 WeakPolarHBondContact CB-OD2 3.47Å; N515-D527 PolarHBondContact ND2-OD1 2.96Å; N515-D527 PolarHBondContact ND2-OD2 3.08Å; N515-D527 VanDerWaalsContact ND2-OD2 3.08Å; N515-M528 WeakPolarHBondContact O-CB 3.24Å; N515-M528 VanDerWaalsContact O-CG 3.24Å; N515-M528 WeakPolarHBondContact O-CG 3.36Å; N515-M528 PolarHBondContact O-N 2.95Å; N515-I529 HydrophobicContact CB-CD1 4.48Å; N515-I529 HydrophobicContact CB-CG1 4.35Å; N515-I529 WeakPolarHBondContact OD1-CD1 3.48Å
516	F	90.1	Very high	87.1	Confident	39 Å²	39	66.5 Å²	66.5	17%	0.171	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.5	-178.2	-179.8	-93	0	0	0	109.9	R460 S511 Q513 Y525	R460-F516 PolarHBondContact NH2-O 3.09Å; S511-F516 WeakPolarHBondContact OG-CD1 3.49Å; S511-F516 WeakPolarHBondContact OG-CE1 3.22Å; Q513-F516 HydrophobicContact CB-CB 3.8Å; Q513-F516 PolarHBondContact O-N 3.44Å; F516-Y525 AromaticContact CE1-CD1 3.66Å; F516-Y525 HydrophobicContact CE1-CD1 3.66Å; F516-Y525 HydrophobicContact CE1-CE1 4.48Å; F516-Y525 HydrophobicContact CE1-CG 4.26Å; F516-Y525 VanDerWaalsContact CZ-CB 3.43Å; F516-Y525 AromaticContact CZ-CD1 3.68Å; F516-Y525 HydrophobicContact CZ-CD1 3.68Å; F516-Y525 AromaticContact CZ-CG 3.79Å; F516-Y525 HydrophobicContact CZ-CG 3.79Å
517	G	90.6	Very high	87.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	-171.3	-177.1	0	0	0	0	0	112.8	N515 Y525 V526	N515-G517 PolarHBondContact O-N 3.33Å; G517-Y525 VanDerWaalsContact O-CA 3.27Å; G517-Y525 WeakPolarHBondContact O-CA 3.31Å; G517-V526 PolarHBondContact N-O 3.5Å; G517-V526 PolarHBondContact O-N 2.97Å
518	Y	91	Very high	87.1	Confident	27 Å²	27	58.2 Å²	58.2	11%	0.106	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.6	-178.5	-178.9	-107.8	0	0	0	109.9	V499 V504 A520 G523 Y525	V499-Y518 HydrophobicContact CG2-CE1 3.88Å; V504-Y518 HydrophobicContact CG1-CD1 3.67Å; V504-Y518 HydrophobicContact CG1-CD2 4.28Å; V504-Y518 HydrophobicContact CG1-CE1 4.43Å; V504-Y518 HydrophobicContact CG1-CG 3.57Å; V504-Y518 HydrophobicContact CG2-CD1 4.29Å; V504-Y518 HydrophobicContact CG2-CE1 4.26Å; V504-Y518 HydrophobicContact CG2-CG 4.43Å; Y518-A520 HydrophobicContact CD1-CB 4.25Å; Y518-A520 HydrophobicContact CE1-CB 4.14Å; Y518-A520 PolarHBondContact O-N 3.05Å; Y518-G523 WeakPolarHBondContact CE2-O 3.36Å; Y518-G523 WeakPolarHBondContact OH-CA 3.2Å; Y518-Y525 HydrophobicContact CD2-CD1 4.07Å; Y518-Y525 HydrophobicContact CD2-CD2 4.17Å; Y518-Y525 AromaticContact CD2-CE1 3.8Å; Y518-Y525 HydrophobicContact CD2-CE1 3.8Å; Y518-Y525 AromaticContact CD2-CE2 3.87Å; Y518-Y525 HydrophobicContact CD2-CE2 3.87Å; Y518-Y525 HydrophobicContact CD2-CG 4.23Å; Y518-Y525 AromaticContact CD2-CZ 3.67Å; Y518-Y525 HydrophobicContact CE2-CE2 4.14Å; Y518-Y525 HydrophobicContact CG-CE1 4.33Å
519	D	91.9	Very high	87	Confident	13 Å²	13	59.9 Å²	59.9	7%	0.07	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	102.6	170.4	179.9	-9.3	0	0	0	108.8	L521 R522 G523 E524 V526 I533	D519-L521 PolarHBondContact O-N 3.35Å; D519-L521 WeakPolarHBondContact OD1-CA 3.43Å; D519-L521 VanDerWaalsContact OD1-CB 3.29Å; D519-L521 WeakPolarHBondContact OD1-CB 3.48Å; D519-L521 PolarHBondContact OD1-N 3.28Å; D519-R522 PolarHBondContact OD1-N 3.14Å; D519-R522 WeakPolarHBondContact OD2-CB 3.4Å; D519-R522 WeakPolarHBondContact OD2-CD 3.46Å; D519-R522 VanDerWaalsContact OD2-CG 3.3Å; D519-R522 WeakPolarHBondContact OD2-CG 3.44Å; D519-G523 VanDerWaalsContact O-CA 3.22Å; D519-G523 WeakPolarHBondContact O-CA 3.45Å; D519-G523 PolarHBondContact O-N 3.02Å; D519-E524 PolarHBondContact N-O 3.04Å; D519-E524 PolarHBondContact O-N 3.19Å; D519-V526 HydrophobicContact CB-CG2 3.88Å; D519-I533 HydrophobicContact CB-CD1 3.78Å
520	A	89.7	Confident	86.9	Confident	4 Å²	4	65.8 Å²	65.8	3%	0.033	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16	-179.7	0	0	0	0	0	114.2	P56 K57 I493 A497 Y518	P56-A520 HydrophobicContact CG-CB 3.89Å; K57-A520 WeakPolarHBondContact CD-O 3.29Å; K57-A520 VanDerWaalsContact CE-O 3.24Å; K57-A520 WeakPolarHBondContact CE-O 3.42Å; K57-A520 PolarHBondContact NZ-O 3.18Å; I493-A520 HydrophobicContact CG2-CB 3.54Å; A497-A520 HydrophobicContact CB-CB 4.12Å; Y518-A520 HydrophobicContact CD1-CB 4.25Å; Y518-A520 HydrophobicContact CE1-CB 4.14Å; Y518-A520 PolarHBondContact O-N 3.05Å
521	L	87.4	Confident	86.9	Confident	97 Å²	97	63.8 Å²	63.8	51%	0.508	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-54.6	176.1	-176.9	64.1	0	0	0	109.8	P56 K57 D519	P56-L521 HydrophobicContact CB-CB 4.07Å; P56-L521 HydrophobicContact CB-CD1 4.25Å; P56-L521 HydrophobicContact CG-CB 4.14Å; K57-L521 VanDerWaalsContact CE-O 3.28Å; K57-L521 WeakPolarHBondContact CE-O 3.24Å; K57-L521 PolarHBondContact NZ-O 2.99Å; D519-L521 PolarHBondContact O-N 3.35Å; D519-L521 WeakPolarHBondContact OD1-CA 3.43Å; D519-L521 VanDerWaalsContact OD1-CB 3.29Å; D519-L521 WeakPolarHBondContact OD1-CB 3.48Å; D519-L521 PolarHBondContact OD1-N 3.28Å
522	R	87.3	Confident	87.1	Confident	178 Å²	178	62.8 Å²	62.8	67%	0.672	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-27.6	-179.8	-64.8	-178	179.4	174	3.6	113.7	D519	D519-R522 PolarHBondContact OD1-N 3.14Å; D519-R522 WeakPolarHBondContact OD2-CB 3.4Å; D519-R522 WeakPolarHBondContact OD2-CD 3.46Å; D519-R522 VanDerWaalsContact OD2-CG 3.3Å; D519-R522 WeakPolarHBondContact OD2-CG 3.44Å
523	G	88.4	Confident	87.8	Confident	32 Å²	32	57.5 Å²	57.5	33%	0.33	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	21.9	-177.7	0	0	0	0	0	114.4	Y518 D519	Y518-G523 WeakPolarHBondContact CE2-O 3.36Å; Y518-G523 WeakPolarHBondContact OH-CA 3.2Å; D519-G523 VanDerWaalsContact O-CA 3.22Å; D519-G523 WeakPolarHBondContact O-CA 3.45Å; D519-G523 PolarHBondContact O-N 3.02Å
524	E	91.1	Very high	88.4	Confident	114 Å²	114	51.6 Å²	51.6	53%	0.533	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	158.1	-173.8	-64.2	-178.6	167.7	0	0	111.7	D519 V526	D519-E524 PolarHBondContact N-O 3.04Å; D519-E524 PolarHBondContact O-N 3.19Å; E524-V526 HydrophobicContact CB-CG1 4.34Å
525	Y	91.1	Very high	89	Confident	73 Å²	73	48.3 Å²	48.3	29%	0.286	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.3	173	-67.1	-92.3	0	0	0	109.9	V504 K507 V508 F516 G517 Y518	V504-Y525 WeakPolarHBondContact CA-OH 3.34Å; K507-Y525 HydrophobicContact CB-CE1 3.82Å; K507-Y525 HydrophobicContact CD-CE1 4.28Å; K507-Y525 HydrophobicContact CD-CE2 4.06Å; K507-Y525 VanDerWaalsContact CD-OH 3.23Å; K507-Y525 WeakPolarHBondContact CD-OH 3.33Å; V508-Y525 HydrophobicContact CG2-CE1 4.22Å; F516-Y525 AromaticContact CE1-CD1 3.66Å; F516-Y525 HydrophobicContact CE1-CD1 3.66Å; F516-Y525 HydrophobicContact CE1-CE1 4.48Å; F516-Y525 HydrophobicContact CE1-CG 4.26Å; F516-Y525 VanDerWaalsContact CZ-CB 3.43Å; F516-Y525 AromaticContact CZ-CD1 3.68Å; F516-Y525 HydrophobicContact CZ-CD1 3.68Å; F516-Y525 AromaticContact CZ-CG 3.79Å; F516-Y525 HydrophobicContact CZ-CG 3.79Å; G517-Y525 VanDerWaalsContact O-CA 3.27Å; G517-Y525 WeakPolarHBondContact O-CA 3.31Å; Y518-Y525 HydrophobicContact CD2-CD1 4.07Å; Y518-Y525 HydrophobicContact CD2-CD2 4.17Å; Y518-Y525 AromaticContact CD2-CE1 3.8Å; Y518-Y525 HydrophobicContact CD2-CE1 3.8Å; Y518-Y525 AromaticContact CD2-CE2 3.87Å; Y518-Y525 HydrophobicContact CD2-CE2 3.87Å; Y518-Y525 HydrophobicContact CD2-CG 4.23Å; Y518-Y525 AromaticContact CD2-CZ 3.67Å; Y518-Y525 HydrophobicContact CE2-CE2 4.14Å; Y518-Y525 HydrophobicContact CG-CE1 4.33Å
526	V	91.1	Very high	89.4	Confident	25 Å²	25	46.5 Å²	46.5	15%	0.152	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	165.4	-169.6	-63.9	0	0	0	0	111.2	G517 D519 E524 M528 T531 I533	G517-V526 PolarHBondContact N-O 3.5Å; G517-V526 PolarHBondContact O-N 2.97Å; D519-V526 HydrophobicContact CB-CG2 3.88Å; E524-V526 HydrophobicContact CB-CG1 4.34Å; V526-M528 HydrophobicContact CG2-SD 4.35Å; V526-M528 PolarHBondContact O-N 3.45Å; V526-T531 HydrophobicContact CB-CG2 3.67Å; V526-T531 HydrophobicContact CG1-CG2 4.11Å; V526-T531 HydrophobicContact CG2-CG2 3.75Å; V526-I533 HydrophobicContact CG2-CD1 4.48Å
527	D	90.7	Very high	89.6	Confident	34 Å²	34	44.7 Å²	44.7	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	116.6	162.4	-173.1	-46	0	0	0	108.4	N515 I529 E530 T531	N515-D527 VanDerWaalsContact CB-CG 3.43Å; N515-D527 WeakPolarHBondContact CB-OD1 3.44Å; N515-D527 VanDerWaalsContact CB-OD2 3.26Å; N515-D527 WeakPolarHBondContact CB-OD2 3.47Å; N515-D527 PolarHBondContact ND2-OD1 2.96Å; N515-D527 PolarHBondContact ND2-OD2 3.08Å; N515-D527 VanDerWaalsContact ND2-OD2 3.08Å; D527-I529 VanDerWaalsContact C-N 3.29Å; D527-I529 PolarHBondContact O-N 3.29Å; D527-I529 PolarHBondContact OD1-N 3.37Å; D527-E530 HydrophobicContact CB-CB 4.05Å; D527-E530 HydrophobicContact CB-CG 4.02Å; D527-E530 PolarHBondContact O-N 2.91Å; D527-E530 PolarHBondContact OD1-N 3.46Å; D527-T531 WeakPolarHBondContact O-CB 3.31Å; D527-T531 WeakPolarHBondContact O-CG2 3.46Å; D527-T531 PolarHBondContact O-N 3.25Å; D527-T531 PolarHBondContact O-OG1 2.99Å
528	M	89	Confident	89.7	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.4	-174.6	-61.8	-62.8	-78.7	0	0	112.3	P452 G453 V456 N515 V526 T531 G532 I533	P452-M528 HydrophobicContact CB-CB 3.96Å; G453-M528 VanDerWaalsContact O-CE 3.32Å; G453-M528 WeakPolarHBondContact O-CE 3.31Å; V456-M528 HydrophobicContact CG2-CE 4.18Å; V456-M528 HydrophobicContact CG2-CG 4.12Å; N515-M528 WeakPolarHBondContact O-CB 3.24Å; N515-M528 VanDerWaalsContact O-CG 3.24Å; N515-M528 WeakPolarHBondContact O-CG 3.36Å; N515-M528 PolarHBondContact O-N 2.95Å; V526-M528 HydrophobicContact CG2-SD 4.35Å; V526-M528 PolarHBondContact O-N 3.45Å; M528-T531 PolarHBondContact O-OG1 3.18Å; M528-G532 PolarHBondContact O-N 3.27Å; M528-I533 HydrophobicContact CE-CB 3.72Å; M528-I533 HydrophobicContact CE-CD1 4.14Å; M528-I533 HydrophobicContact CE-CG2 3.36Å; M528-I533 CarbonylContact O-C 3.37Å; M528-I533 WeakPolarHBondContact O-CA 3.48Å; M528-I533 PolarHBondContact O-N 3.45Å; M528-I533 VanDerWaalsContact O-O 3.13Å; M528-I533 HydrophobicContact SD-CB 4.3Å; M528-I533 HydrophobicContact SD-CD1 4.12Å
529	I	85.8	Confident	89.8	Confident	36 Å²	36	45.5 Å²	45.5	19%	0.185	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-44.5	-178.7	-59	-177.3	0	0	0	109.6	K159 P452 N515 D527 T531 G532 I534	K159-I529 HydrophobicContact CD-CD1 4.28Å; P452-I529 HydrophobicContact CB-CG1 4.36Å; N515-I529 HydrophobicContact CB-CD1 4.48Å; N515-I529 HydrophobicContact CB-CG1 4.35Å; N515-I529 WeakPolarHBondContact OD1-CD1 3.48Å; D527-I529 VanDerWaalsContact C-N 3.29Å; D527-I529 PolarHBondContact O-N 3.29Å; D527-I529 PolarHBondContact OD1-N 3.37Å; I529-T531 VanDerWaalsContact C-N 3.31Å; I529-T531 PolarHBondContact O-N 3.34Å; I529-G532 PolarHBondContact O-N 2.97Å; I529-I534 HydrophobicContact CG1-CG2 4.4Å
530	E	85.8	Confident	89.9	Confident	164 Å²	164	45.3 Å²	45.3	77%	0.766	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-35.9	179.7	-64.9	-175.5	165.9	0	0	112.6	D527 G532	D527-E530 HydrophobicContact CB-CB 4.05Å; D527-E530 HydrophobicContact CB-CG 4.02Å; D527-E530 PolarHBondContact O-N 2.91Å; D527-E530 PolarHBondContact OD1-N 3.46Å; E530-G532 PolarHBondContact O-N 3.05Å
531	T	85.5	Confident	90.1	Very high	58 Å²	58	47 Å²	47	36%	0.356	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6	175.3	52	0	0	0	0	113.7	V526 D527 M528 I529	V526-T531 HydrophobicContact CB-CG2 3.67Å; V526-T531 HydrophobicContact CG1-CG2 4.11Å; V526-T531 HydrophobicContact CG2-CG2 3.75Å; D527-T531 WeakPolarHBondContact O-CB 3.31Å; D527-T531 WeakPolarHBondContact O-CG2 3.46Å; D527-T531 PolarHBondContact O-N 3.25Å; D527-T531 PolarHBondContact O-OG1 2.99Å; M528-T531 PolarHBondContact O-OG1 3.18Å; I529-T531 VanDerWaalsContact C-N 3.31Å; I529-T531 PolarHBondContact O-N 3.34Å
532	G	85.2	Confident	90.4	Very high	9 Å²	9	42.3 Å²	42.3	9%	0.093	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	38.3	-178.3	0	0	0	0	0	112.6	I173 M528 I529 E530	I173-G532 WeakPolarHBondContact CD1-O 3.42Å; I173-G532 WeakPolarHBondContact CG1-O 3.39Å; M528-G532 PolarHBondContact O-N 3.27Å; I529-G532 PolarHBondContact O-N 2.97Å; E530-G532 PolarHBondContact O-N 3.05Å
533	I	89.6	Confident	90.7	Very high	32 Å²	32	33.9 Å²	33.9	16%	0.164	18%	0.175	C	C	.	.			trans	-103.9	83.2	167.5	-49.3	173.4	0	0	0	108.3	G453 D519 V526 M528	G453-I533 PolarHBondContact N-O 3.23Å; D519-I533 HydrophobicContact CB-CD1 3.78Å; V526-I533 HydrophobicContact CG2-CD1 4.48Å; M528-I533 HydrophobicContact CE-CB 3.72Å; M528-I533 HydrophobicContact CE-CD1 4.14Å; M528-I533 HydrophobicContact CE-CG2 3.36Å; M528-I533 CarbonylContact O-C 3.37Å; M528-I533 WeakPolarHBondContact O-CA 3.48Å; M528-I533 PolarHBondContact O-N 3.45Å; M528-I533 VanDerWaalsContact O-O 3.13Å; M528-I533 HydrophobicContact SD-CB 4.3Å; M528-I533 HydrophobicContact SD-CD1 4.12Å
534	I	91.5	Very high	91	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.8	-175.1	52.6	174.7	0	0	0	111.4	Q169 V170 I173 I450 V451 I529	Q169-I534 HydrophobicContact CB-CD1 3.86Å; Q169-I534 HydrophobicContact CB-CG1 4.28Å; V170-I534 HydrophobicContact CG2-CD1 3.49Å; V170-I534 VanDerWaalsContact CG2-CD1 3.49Å; V170-I534 HydrophobicContact CG2-CG1 3.88Å; I173-I534 HydrophobicContact CD1-CB 4.37Å; I173-I534 HydrophobicContact CD1-CG1 3.63Å; I173-I534 WeakPolarHBondContact CD1-O 3.49Å; I450-I534 HydrophobicContact CB-CB 4.37Å; I450-I534 HydrophobicContact CB-CD1 4.49Å; I450-I534 HydrophobicContact CD1-CB 4.47Å; I450-I534 HydrophobicContact CD1-CD1 3.67Å; I450-I534 HydrophobicContact CD1-CG2 4.32Å; I450-I534 HydrophobicContact CG2-CD1 4.27Å; V451-I534 WeakPolarHBondContact O-CA 3.48Å; I529-I534 HydrophobicContact CG1-CG2 4.4Å
535	D	91.9	Very high	91.1	Very high	37 Å²	37	29.8 Å²	29.8	20%	0.198	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.3	175.8	-70.1	-25.7	0	0	0	109.2	V451 G453 G454 T537 I540	V451-D535 VanDerWaalsContact CG2-O 3.27Å; V451-D535 WeakPolarHBondContact CG2-O 3.41Å; V451-D535 PolarHBondContact N-O 3.07Å; V451-D535 PolarHBondContact O-N 2.83Å; G453-D535 VanDerWaalsContact CA-CG 3.43Å; G453-D535 WeakPolarHBondContact CA-OD2 3.42Å; G454-D535 PolarHBondContact N-OD2 3.16Å; D535-T537 PolarHBondContact O-N 3.47Å; D535-I540 HydrophobicContact CB-CD1 3.47Å; D535-I540 VanDerWaalsContact CB-CD1 3.47Å; D535-I540 HydrophobicContact CB-CG1 4.2Å
536	P	92.4	Very high	91.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.8	173.6	-18.8	30.6	0	0	0	111.5	V170 A441 A444 A445 K538 V539 I540	V170-P536 HydrophobicContact CG1-CG 3.94Å; A441-P536 HydrophobicContact CB-CG 4Å; A441-P536 VanDerWaalsContact O-CG 3.24Å; A441-P536 WeakPolarHBondContact O-CG 3.36Å; A444-P536 HydrophobicContact CB-CB 3.97Å; A444-P536 HydrophobicContact CB-CG 4.5Å; A445-P536 HydrophobicContact CB-CB 4.08Å; A445-P536 HydrophobicContact CB-CG 4.16Å; P536-K538 VanDerWaalsContact C-N 3.26Å; P536-K538 PolarHBondContact O-N 3.25Å; P536-V539 HydrophobicContact CB-CB 4.25Å; P536-V539 HydrophobicContact CB-CG2 3.81Å; P536-V539 HydrophobicContact CG-CG2 3.92Å; P536-V539 PolarHBondContact O-N 3.21Å; P536-V539 VanDerWaalsContact O-N 3.11Å; P536-I540 PolarHBondContact O-N 3.08Å
537	T	93.9	Very high	91.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-58.8	-40.1	-179.2	-57.4	0	0	0	0	111.8	L154 S158 G449 V451 D535 V539 I540 R541	L154-T537 HydrophobicContact CB-CG2 4.43Å; S158-T537 WeakPolarHBondContact CB-OG1 3.31Å; S158-T537 PolarHBondContact OG-OG1 3.01Å; G449-T537 PolarHBondContact O-N 3.43Å; G449-T537 PolarHBondContact O-OG1 3.42Å; V451-T537 HydrophobicContact CG1-CG2 4.43Å; V451-T537 WeakPolarHBondContact CG1-OG1 3.02Å; D535-T537 PolarHBondContact O-N 3.47Å; T537-V539 VanDerWaalsContact C-N 3.33Å; T537-V539 PolarHBondContact O-N 3.43Å; T537-I540 PolarHBondContact O-N 2.96Å; T537-R541 VanDerWaalsContact O-CB 3.24Å; T537-R541 WeakPolarHBondContact O-CB 3.41Å; T537-R541 PolarHBondContact O-N 3.05Å
538	K	93.2	Very high	91.5	Very high	34 Å²	34	24.5 Å²	24.5	15%	0.148	12%	0.123	C	C	.	.	H	α-helix	trans	-57.6	-43.6	177.2	-177.7	176.4	-178.3	-172.9	0	112.1	Q107 A444 E447 E448 P536 R541 T542	Q107-K538 WeakPolarHBondContact O-CE 3.49Å; Q107-K538 PolarHBondContact O-NZ 2.83Å; A444-K538 HydrophobicContact CB-CB 4.13Å; A444-K538 HydrophobicContact CB-CD 4Å; A444-K538 HydrophobicContact CB-CG 4.43Å; E447-K538 IonicContact OE1-NZ 3.08Å; E447-K538 WeakPolarHBondContact OE2-CD 3.29Å; E447-K538 WeakPolarHBondContact OE2-CE 3.48Å; E447-K538 IonicContact OE2-NZ 2.81Å; E447-K538 PolarHBondContact OE2-NZ 3.26Å; E448-K538 HydrophobicContact CB-CB 4Å; E448-K538 HydrophobicContact CG-CB 3.98Å; E448-K538 WeakPolarHBondContact OE1-CG 3.26Å; P536-K538 VanDerWaalsContact C-N 3.26Å; P536-K538 PolarHBondContact O-N 3.25Å; K538-R541 PolarHBondContact O-N 3.18Å; K538-T542 VanDerWaalsContact O-CB 3.28Å; K538-T542 WeakPolarHBondContact O-CB 3.45Å; K538-T542 PolarHBondContact O-N 3.29Å; K538-T542 PolarHBondContact O-OG1 2.93Å; K538-T542 VanDerWaalsContact O-OG1 3.11Å
539	V	93.4	Very high	91.7	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.055	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-50.7	-178.3	172.8	0	0	0	0	110.7	A108 D110 A444 P536 T537 R541 T542 A543	A108-V539 HydrophobicContact CB-CG2 4Å; D110-V539 HydrophobicContact CB-CG1 4.28Å; D110-V539 HydrophobicContact CB-CG2 4.04Å; A444-V539 HydrophobicContact CB-CG2 4.14Å; P536-V539 HydrophobicContact CB-CB 4.25Å; P536-V539 HydrophobicContact CB-CG2 3.81Å; P536-V539 HydrophobicContact CG-CG2 3.92Å; P536-V539 PolarHBondContact O-N 3.21Å; P536-V539 VanDerWaalsContact O-N 3.11Å; T537-V539 VanDerWaalsContact C-N 3.33Å; T537-V539 PolarHBondContact O-N 3.43Å; V539-R541 PolarHBondContact O-N 3.37Å; V539-T542 PolarHBondContact O-N 3.49Å; V539-A543 WeakPolarHBondContact O-CB 3.26Å; V539-A543 PolarHBondContact O-N 3.31Å
540	I	93.4	Very high	91.9	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.046	13%	0.129	C	C	.	.	H	α-helix	trans	-65.4	-42.6	-179.1	-68.5	164.4	0	0	0	111.1	L154 V451 A457 L458 D535 P536 T537 L544	L154-I540 HydrophobicContact CD1-CG2 3.79Å; L154-I540 HydrophobicContact CD2-CG2 4.33Å; V451-I540 HydrophobicContact CG2-CD1 3.46Å; V451-I540 VanDerWaalsContact CG2-CD1 3.46Å; A457-I540 HydrophobicContact CB-CD1 4.28Å; L458-I540 HydrophobicContact CD1-CG2 4.19Å; L458-I540 HydrophobicContact CD2-CG2 3.67Å; L458-I540 HydrophobicContact CG-CG2 3.75Å; D535-I540 HydrophobicContact CB-CD1 3.47Å; D535-I540 VanDerWaalsContact CB-CD1 3.47Å; D535-I540 HydrophobicContact CB-CG1 4.2Å; P536-I540 PolarHBondContact O-N 3.08Å; T537-I540 PolarHBondContact O-N 2.96Å; I540-L544 WeakPolarHBondContact O-CB 3.24Å; I540-L544 PolarHBondContact O-N 2.94Å; I540-L544 VanDerWaalsContact O-N 3.07Å
541	R	93.7	Very high	92.1	Very high	39 Å²	39	17 Å²	17	15%	0.147	9%	0.094	C	C	.	.	H	α-helix	trans	-58.4	-54.2	177.1	175.8	-178.9	71.2	71.3	-1.2	111	V151 E448 T537 K538 V539 L544 Q545	V151-R541 HydrophobicContact CB-CG 4.42Å; V151-R541 HydrophobicContact CG1-CG 3.7Å; V151-R541 HydrophobicContact CG2-CG 3.92Å; E448-R541 IonicContact OE1-CZ 3.64Å; E448-R541 IonicContact OE1-NE 2.79Å; E448-R541 PolarHBondContact OE1-NE 3.43Å; E448-R541 IonicContact OE1-NH2 2.71Å; E448-R541 PolarHBondContact OE1-NH2 3Å; E448-R541 IonicContact OE2-CZ 3.55Å; E448-R541 IonicContact OE2-NE 3.89Å; E448-R541 PolarHBondContact OE2-NE 2.97Å; E448-R541 IonicContact OE2-NH2 2.68Å; T537-R541 VanDerWaalsContact O-CB 3.24Å; T537-R541 WeakPolarHBondContact O-CB 3.41Å; T537-R541 PolarHBondContact O-N 3.05Å; K538-R541 PolarHBondContact O-N 3.18Å; V539-R541 PolarHBondContact O-N 3.37Å; R541-L544 PolarHBondContact O-N 3.31Å; R541-Q545 WeakPolarHBondContact O-CB 3.26Å; R541-Q545 WeakPolarHBondContact O-CG 3.14Å; R541-Q545 PolarHBondContact O-N 3.08Å
542	T	93.9	Very high	92.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-45.6	-178.8	-69.3	0	0	0	0	111.1	T104 Q107 A108 K538 V539 L544 Q545 D546	T104-T542 HydrophobicContact CG2-CG2 4.16Å; Q107-T542 HydrophobicContact CB-CG2 3.84Å; A108-T542 HydrophobicContact CB-CG2 4.39Å; K538-T542 VanDerWaalsContact O-CB 3.28Å; K538-T542 WeakPolarHBondContact O-CB 3.45Å; K538-T542 PolarHBondContact O-N 3.29Å; K538-T542 PolarHBondContact O-OG1 2.93Å; K538-T542 VanDerWaalsContact O-OG1 3.11Å; V539-T542 PolarHBondContact O-N 3.49Å; T542-L544 VanDerWaalsContact C-N 3.32Å; T542-L544 PolarHBondContact O-N 2.8Å; T542-Q545 PolarHBondContact O-N 3.31Å; T542-D546 VanDerWaalsContact CG2-OD2 3.28Å; T542-D546 WeakPolarHBondContact CG2-OD2 3.39Å; T542-D546 WeakPolarHBondContact O-CB 3.45Å; T542-D546 PolarHBondContact O-N 3.46Å
543	A	94.2	Very high	92.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.3	-42.9	178.1	0	0	0	0	0	112.5	T104 C114 A115 V539 A547	T104-A543 HydrophobicContact CG2-CB 4.25Å; C114-A543 HydrophobicContact CB-CB 4.44Å; A115-A543 HydrophobicContact CB-CB 3.85Å; V539-A543 WeakPolarHBondContact O-CB 3.26Å; V539-A543 PolarHBondContact O-N 3.31Å; A543-A547 WeakPolarHBondContact O-CB 3.33Å; A543-A547 PolarHBondContact O-N 3.49Å; A543-A547 VanDerWaalsContact O-N 3.14Å
544	L	94.1	Very high	92.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.9	-43.7	177.3	-178.5	64.5	0	0	0	112.3	L118 V147 V150 L458 I540 R541 T542 A548	L118-L544 HydrophobicContact CD1-CB 4.34Å; L118-L544 HydrophobicContact CD1-CD1 4.2Å; L118-L544 HydrophobicContact CD2-CD1 4.46Å; V147-L544 HydrophobicContact CG1-CD2 4.28Å; V147-L544 HydrophobicContact CG1-CG 4.15Å; V147-L544 HydrophobicContact CG2-CD1 4.45Å; V147-L544 HydrophobicContact CG2-CD2 4.46Å; V147-L544 HydrophobicContact CG2-CG 4.21Å; V150-L544 HydrophobicContact CB-CD2 3.98Å; V150-L544 HydrophobicContact CG1-CD2 3.46Å; V150-L544 VanDerWaalsContact CG1-CD2 3.46Å; L458-L544 HydrophobicContact CD2-CD2 4.26Å; I540-L544 WeakPolarHBondContact O-CB 3.24Å; I540-L544 PolarHBondContact O-N 2.94Å; I540-L544 VanDerWaalsContact O-N 3.07Å; R541-L544 PolarHBondContact O-N 3.31Å; T542-L544 VanDerWaalsContact C-N 3.32Å; T542-L544 PolarHBondContact O-N 2.8Å; L544-A548 WeakPolarHBondContact O-CB 3.44Å; L544-A548 PolarHBondContact O-N 3.22Å
545	Q	94.1	Very high	92.2	Very high	60 Å²	60	17.4 Å²	17.4	28%	0.28	9%	0.092	S	C	.	.	H	α-helix	trans	-64.9	-45.9	-179	-74.9	-178.9	-46.7	0	0	112.1	V147 V151 R541 T542 G549	V147-Q545 HydrophobicContact CG1-CG 3.9Å; V151-Q545 HydrophobicContact CG2-CG 3.87Å; R541-Q545 WeakPolarHBondContact O-CB 3.26Å; R541-Q545 WeakPolarHBondContact O-CG 3.14Å; R541-Q545 PolarHBondContact O-N 3.08Å; T542-Q545 PolarHBondContact O-N 3.31Å; Q545-G549 PolarHBondContact O-N 2.99Å
546	D	93.9	Very high	92.1	Very high	21 Å²	21	18 Å²	18	11%	0.112	10%	0.098	C	C	.	.	H	α-helix	trans	-66.8	-45.8	178.9	-71.7	-25.5	0	0	0	111.2	V100 T104 T542 G549 V550	V100-D546 HydrophobicContact CG1-CB 4.12Å; T104-D546 WeakPolarHBondContact CA-OD2 3.33Å; T104-D546 PolarHBondContact N-OD2 2.69Å; T104-D546 PolarHBondContact OG1-OD2 3.44Å; T542-D546 VanDerWaalsContact CG2-OD2 3.28Å; T542-D546 WeakPolarHBondContact CG2-OD2 3.39Å; T542-D546 WeakPolarHBondContact O-CB 3.45Å; T542-D546 PolarHBondContact O-N 3.46Å; D546-G549 PolarHBondContact O-N 3.03Å; D546-V550 PolarHBondContact O-N 3.37Å; D546-V550 VanDerWaalsContact O-N 3.09Å
547	A	94	Very high	91.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.1	-49.9	177.5	0	0	0	0	0	111.7	V100 A115 L118 A119 A543 A551	V100-A547 HydrophobicContact CG1-CB 4.3Å; A115-A547 WeakPolarHBondContact O-CB 3.31Å; L118-A547 HydrophobicContact CB-CB 3.69Å; A119-A547 HydrophobicContact CB-CB 3.98Å; A543-A547 WeakPolarHBondContact O-CB 3.33Å; A543-A547 PolarHBondContact O-N 3.49Å; A543-A547 VanDerWaalsContact O-N 3.14Å; A547-A551 WeakPolarHBondContact O-CB 3.5Å; A547-A551 PolarHBondContact O-N 3.38Å
548	A	93.7	Very high	91.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.9	-39.9	178.3	0	0	0	0	0	111.9	I122 V143 V147 L544 V550 S552	I122-A548 HydrophobicContact CD1-CB 3.88Å; V143-A548 HydrophobicContact CG1-CB 4.05Å; V147-A548 HydrophobicContact CG2-CB 3.57Å; L544-A548 WeakPolarHBondContact O-CB 3.44Å; L544-A548 PolarHBondContact O-N 3.22Å; A548-V550 PolarHBondContact O-N 3.07Å; A548-S552 WeakPolarHBondContact O-CB 3.27Å; A548-S552 PolarHBondContact O-N 2.81Å; A548-S552 PolarHBondContact O-OG 2.97Å
549	G	92.2	Very high	91.3	Very high	18 Å²	18	25 Å²	25	19%	0.186	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-48.3	179.8	0	0	0	0	0	112.7	R140 Q545 D546 S552 L553	R140-G549 PolarHBondContact NH1-O 3.28Å; Q545-G549 PolarHBondContact O-N 2.99Å; D546-G549 PolarHBondContact O-N 3.03Å; G549-S552 PolarHBondContact O-OG 3.47Å; G549-L553 WeakPolarHBondContact O-CG 3.32Å; G549-L553 PolarHBondContact O-N 3.04Å
550	V	90.7	Very high	91.2	Very high	22 Å²	22	25.2 Å²	25.2	13%	0.133	14%	0.141	C	C	.	.	H	α-helix	trans	-79.3	-45.6	-179.9	178.4	0	0	0	0	112.2	L96 V100 D546 A548 S552 L553 L554	L96-V550 HydrophobicContact CB-CG1 4.1Å; V100-V550 HydrophobicContact CG2-CB 3.4Å; V100-V550 VanDerWaalsContact CG2-CB 3.4Å; V100-V550 HydrophobicContact CG2-CG1 3.79Å; V100-V550 HydrophobicContact CG2-CG2 3.49Å; V100-V550 VanDerWaalsContact CG2-CG2 3.49Å; D546-V550 PolarHBondContact O-N 3.37Å; D546-V550 VanDerWaalsContact O-N 3.09Å; A548-V550 PolarHBondContact O-N 3.07Å; V550-S552 VanDerWaalsContact C-N 3.28Å; V550-S552 PolarHBondContact O-N 2.94Å; V550-L553 WeakPolarHBondContact O-CB 3.45Å; V550-L553 PolarHBondContact O-N 3.21Å; V550-L554 PolarHBondContact O-N 3.21Å
551	A	90.3	Very high	91	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-63.7	-35.4	-178.7	0	0	0	0	0	112.2	A119 I122 A123 A547 L553 L554 S555	A119-A551 WeakPolarHBondContact O-CB 3.32Å; I122-A551 HydrophobicContact CB-CB 3.72Å; I122-A551 HydrophobicContact CG2-CB 3.57Å; A123-A551 HydrophobicContact CB-CB 4.27Å; A547-A551 WeakPolarHBondContact O-CB 3.5Å; A547-A551 PolarHBondContact O-N 3.38Å; A551-L553 VanDerWaalsContact C-N 3.3Å; A551-L553 PolarHBondContact O-N 3.06Å; A551-L554 PolarHBondContact O-N 2.6Å; A551-S555 PolarHBondContact O-N 3.49Å
552	S	89.2	Confident	90.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-77	-12.4	174.2	68.7	0	0	0	0	114	R140 A548 G549 V550 S555 T556	R140-S552 PolarHBondContact NH1-O 3.34Å; R140-S552 PolarHBondContact NH1-OG 3.31Å; A548-S552 WeakPolarHBondContact O-CB 3.27Å; A548-S552 PolarHBondContact O-N 2.81Å; A548-S552 PolarHBondContact O-OG 2.97Å; G549-S552 PolarHBondContact O-OG 3.47Å; V550-S552 VanDerWaalsContact C-N 3.28Å; V550-S552 PolarHBondContact O-N 2.94Å; S552-S555 PolarHBondContact O-OG 3.24Å; S552-S555 VanDerWaalsContact O-OG 3.13Å; S552-T556 WeakPolarHBondContact O-CG2 3.3Å
553	L	89.7	Confident	90.4	Very high	95 Å²	95	32.9 Å²	32.9	50%	0.497	18%	0.182	S	C	.	.	H	α-helix	trans	-82.1	-43.9	166.3	-78.4	175	0	0	0	109.4	R140 G549 V550 A551 S555 T556	R140-L553 VanDerWaalsContact CZ-CD2 3.49Å; R140-L553 VanDerWaalsContact NH1-CD2 3.31Å; G549-L553 WeakPolarHBondContact O-CG 3.32Å; G549-L553 PolarHBondContact O-N 3.04Å; V550-L553 WeakPolarHBondContact O-CB 3.45Å; V550-L553 PolarHBondContact O-N 3.21Å; A551-L553 VanDerWaalsContact C-N 3.3Å; A551-L553 PolarHBondContact O-N 3.06Å; L553-S555 PolarHBondContact O-N 3.36Å; L553-T556 PolarHBondContact O-N 3.04Å; L553-T556 PolarHBondContact O-OG1 3.36Å
554	L	89	Confident	89.7	Confident	10 Å²	10	36.8 Å²	36.8	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-39.4	178.4	178.5	62.5	0	0	0	111.7	M39 V43 L96 A123 F127 V550 A551 T556 A557	M39-L554 HydrophobicContact CB-CD1 4.36Å; M39-L554 HydrophobicContact CE-CD1 3.9Å; M39-L554 HydrophobicContact SD-CD1 3.61Å; V43-L554 HydrophobicContact CG2-CD2 3.8Å; L96-L554 HydrophobicContact CD1-CD1 3.79Å; A123-L554 HydrophobicContact CB-CD2 4.03Å; F127-L554 HydrophobicContact CE1-CG 4.32Å; F127-L554 WeakPolarHBondContact CE1-O 3.23Å; F127-L554 HydrophobicContact CE2-CD2 4.17Å; F127-L554 HydrophobicContact CE2-CG 4.24Å; F127-L554 HydrophobicContact CZ-CD1 4.03Å; F127-L554 HydrophobicContact CZ-CD2 3.99Å; F127-L554 HydrophobicContact CZ-CG 3.57Å; V550-L554 PolarHBondContact O-N 3.21Å; A551-L554 PolarHBondContact O-N 2.6Å; L554-T556 PolarHBondContact O-N 3.37Å; L554-A557 WeakPolarHBondContact O-CB 3.49Å; L554-A557 PolarHBondContact O-N 3.17Å
555	S	86.2	Confident	88.7	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.021	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.8	175.3	69.2	0	0	0	0	113	I130 A551 S552 L553 A557	I130-S555 WeakPolarHBondContact CD1-O 3.46Å; A551-S555 PolarHBondContact O-N 3.49Å; S552-S555 PolarHBondContact O-OG 3.24Å; S552-S555 VanDerWaalsContact O-OG 3.13Å; L553-S555 PolarHBondContact O-N 3.36Å; S555-A557 VanDerWaalsContact C-N 3.27Å; S555-A557 PolarHBondContact O-N 3.29Å
556	T	88.3	Confident	87.3	Confident	51 Å²	51	46 Å²	46	31%	0.313	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.8	178.8	65.5	0	0	0	0	114.4	P136 R140 S552 L553 L554 E558	P136-T556 HydrophobicContact CB-CG2 4Å; R140-T556 HydrophobicContact CB-CG2 4.47Å; S552-T556 WeakPolarHBondContact O-CG2 3.3Å; L553-T556 PolarHBondContact O-N 3.04Å; L553-T556 PolarHBondContact O-OG1 3.36Å; L554-T556 PolarHBondContact O-N 3.37Å; T556-E558 PolarHBondContact O-N 3.28Å
557	A	87.5	Confident	85.6	Confident	27 Å²	27	52.2 Å²	52.2	22%	0.223	28%	0.279	C	S	.	.			trans	-73.6	123.3	-177.2	0	0	0	0	0	112.4	R36 M39 L554 S555	R36-A557 PolarHBondContact NH1-O 2.95Å; M39-A557 HydrophobicContact CE-CB 4.01Å; L554-A557 WeakPolarHBondContact O-CB 3.49Å; L554-A557 PolarHBondContact O-N 3.17Å; S555-A557 VanDerWaalsContact C-N 3.27Å; S555-A557 PolarHBondContact O-N 3.29Å
558	E	87.4	Confident	83.6	Confident	105 Å²	105	60.7 Å²	60.7	49%	0.491	32%	0.319	S	S	.	.			trans	-111	-22.6	175.6	-166.2	59.5	-150.8	0	0	112.9	F31 G32 R36 T556	F31-E558 CarbonylContact C-O 3.24Å; F31-E558 WeakPolarHBondContact CA-O 3.43Å; G32-E558 WeakPolarHBondContact CA-OE1 3.47Å; G32-E558 PolarHBondContact N-O 3.43Å; R36-E558 IonicContact CZ-OE2 2.71Å; R36-E558 IonicContact NH1-OE2 3Å; R36-E558 PolarHBondContact NH1-OE2 3.18Å; R36-E558 IonicContact NH2-OE2 3.87Å; T556-E558 PolarHBondContact O-N 3.28Å
559	C	89.2	Confident	81	Confident	51 Å²	51	68.8 Å²	68.8	35%	0.345	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.7	176.6	-180	0	0	0	0	109.3	R30 F31	R30-C559 WeakPolarHBondContact O-CA 3.38Å; F31-C559 HydrophobicContact CD1-CB 3.79Å; F31-C559 HydrophobicContact CE1-CB 3.83Å; F31-C559 WeakPolarHBondContact CE1-SG 3.28Å
560	V	89.5	Confident	78.5	Confident	13 Å²	13	75.6 Å²	75.6	8%	0.079	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.3	171.3	-173.3	0	0	0	0	107.7	R30 A35 M39 W89 V92 T562	R30-V560 PolarHBondContact N-O 3.08Å; R30-V560 VanDerWaalsContact N-O 3.13Å; R30-V560 PolarHBondContact O-N 3.17Å; A35-V560 HydrophobicContact CB-CB 4.42Å; A35-V560 HydrophobicContact CB-CG2 3.93Å; M39-V560 HydrophobicContact CE-CG2 3.64Å; M39-V560 HydrophobicContact CG-CG2 4.4Å; M39-V560 HydrophobicContact SD-CG2 3.54Å; M39-V560 VanDerWaalsContact SD-CG2 3.54Å; W89-V560 HydrophobicContact CE3-CB 3.99Å; W89-V560 HydrophobicContact CE3-CG1 3.7Å; W89-V560 HydrophobicContact CZ3-CB 3.75Å; W89-V560 HydrophobicContact CZ3-CG1 3.68Å; W89-V560 VanDerWaalsContact CZ3-O 3.29Å; W89-V560 WeakPolarHBondContact CZ3-O 3.49Å; V92-V560 HydrophobicContact CG1-CG1 4.41Å; V560-T562 HydrophobicContact CG1-CG2 4.21Å
561	I	90.4	Very high	76.2	Confident	104 Å²	104	80.6 Å²	80.6	53%	0.533	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.7	178.7	-54.2	179.8	0	0	0	107.1	K27 D28 L29	K27-I561 HydrophobicContact CB-CG2 3.74Å; K27-I561 HydrophobicContact CD-CG2 4.35Å; K27-I561 HydrophobicContact CG-CG2 4.1Å; D28-I561 WeakPolarHBondContact O-CA 3.21Å; L29-I561 HydrophobicContact CD2-CD1 4.17Å; L29-I561 HydrophobicContact CD2-CG1 3.98Å; L29-I561 HydrophobicContact CG-CG1 4.1Å; L29-I561 HydrophobicContact CG-CG2 4.45Å
562	T	88.4	Confident	74	Confident	10 Å²	10	89.4 Å²	89.4	6%	0.061	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	164.4	175.6	61.9	0	0	0	0	111.1	K27 D28 K88 W89 V92 V560	K27-T562 CarbonylContact C-O 3.55Å; K27-T562 WeakPolarHBondContact CA-O 3.23Å; D28-T562 PolarHBondContact N-O 2.75Å; D28-T562 PolarHBondContact O-N 3.27Å; K88-T562 HydrophobicContact CB-CG2 3.97Å; W89-T562 HydrophobicContact CD2-CG2 3.86Å; W89-T562 HydrophobicContact CE3-CG2 3.33Å; W89-T562 HydrophobicContact CH2-CG2 4.04Å; W89-T562 WeakPolarHBondContact CH2-OG1 3.3Å; W89-T562 HydrophobicContact CZ2-CG2 4.47Å; W89-T562 WeakPolarHBondContact CZ2-OG1 3.04Å; W89-T562 HydrophobicContact CZ3-CG2 3.42Å; W89-T562 VanDerWaalsContact CZ3-CG2 3.42Å; W89-T562 WeakPolarHBondContact CZ3-OG1 3.35Å; V92-T562 HydrophobicContact CG2-CG2 4.05Å; V560-T562 HydrophobicContact CG1-CG2 4.21Å
563	E	86.5	Confident	71.8	Confident	96 Å²	96	92.3 Å²	92.3	45%	0.449	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.2	170.5	-67.7	-169	163.4	0	0	109.8	A25 K27	A25-E563 HydrophobicContact CB-CG 4.48Å; K27-E563 HydrophobicContact CD-CG 4Å; K27-E563 IonicContact NZ-OE1 3.85Å; K27-E563 PolarHBondContact NZ-OE1 2.96Å
564	L	79.6	Confident	69.6	Low	81 Å²	81	92.3 Å²	92.3	42%	0.424	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-60.7	131.7	171.6	-136.3	127.6	0	0	0	107.6	A26 D28 K566	A26-L564 HydrophobicContact CB-CB 4.15Å; A26-L564 HydrophobicContact CB-CD1 4.25Å; A26-L564 WeakPolarHBondContact O-CB 3.12Å; A26-L564 PolarHBondContact O-N 3.48Å; D28-L564 HydrophobicContact CB-CD1 4.07Å; D28-L564 HydrophobicContact CB-CG 4.46Å; L564-K566 PolarHBondContact O-N 2.95Å; L564-K566 VanDerWaalsContact O-N 3.1Å
565	P	72	Confident	67.5	Low	95 Å²	95	98.6 Å²	98.6	62%	0.617	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-56.1	123.7	179.6	20.9	-30.3	0	0	0	108.6	E567	P565-E567 PolarHBondContact O-N 2.95Å
566	K	66.5	Low	65.7	Low	158 Å²	158	102 Å²	102	69%	0.687	58%	0.58	S	S	*	*			trans	-65.1	112.6	171	-68.4	-179.5	-177.2	173.9	0	106.2	L564 E568	L564-K566 PolarHBondContact O-N 2.95Å; L564-K566 VanDerWaalsContact O-N 3.1Å; K566-E568 VanDerWaalsContact C-N 3.33Å; K566-E568 PolarHBondContact O-N 3.06Å
567	E	57.5	Low	63.6	Low	153 Å²	153	103.5 Å²	103.5	72%	0.715	61%	0.605	S	S	*	*			trans	-59.6	105.9	159.7	-72.3	-174.5	171.4	0	0	106.3	P565 K569	P565-E567 PolarHBondContact O-N 2.95Å; E567-K569 PolarHBondContact O-N 3.3Å; E567-K569 WeakPolarHBondContact OE2-CE 3.26Å
568	E	51.1	Low	61.4	Low	178 Å²	178	112 Å²	112	83%	0.832	64%	0.643	S	S	*	*			trans	-66.1	80.6	162.1	-71.2	-172.1	169.6	0	0	107	K566 M570	K566-E568 VanDerWaalsContact C-N 3.33Å; K566-E568 PolarHBondContact O-N 3.06Å; E568-M570 PolarHBondContact O-N 3.4Å
569	K	40.4	Very low	59.5	Low	170 Å²	170	110.6 Å²	110.6	74%	0.739	66%	0.657	S	S	*	*			trans	-64.6	89.2	157.7	-74.5	-176.3	-179.7	175.6	0	105.5	E567	E567-K569 PolarHBondContact O-N 3.3Å; E567-K569 WeakPolarHBondContact OE2-CE 3.26Å
570	M	38.8	Very low	57.4	Low	161 Å²	161	111.8 Å²	111.8	79%	0.793	68%	0.678	S	S	*	*			trans	-46.4	129.2	163.5	-77.3	-151.8	-81.2	0	0	106.8	E568 M572	E568-M570 PolarHBondContact O-N 3.4Å; M570-M572 PolarHBondContact O-N 3.33Å
571	P	43	Very low	54.9	Low	127 Å²	127	119.7 Å²	119.7	83%	0.825	72%	0.716	S	S	*	*			trans	-61.2	105.8	172	-6.5	18.3	0	0	0	106.4	G573	P571-G573 PolarHBondContact O-N 3.4Å
572	M	43.3	Very low	52.6	Low	187 Å²	187	121.3 Å²	121.3	92%	0.921	73%	0.726	S	S	*	*			trans	-50.8	110.6	167.5	-93	-82.3	-99.3	0	0	106.9	M570 A574	M570-M572 PolarHBondContact O-N 3.33Å; M572-A574 PolarHBondContact O-N 3.41Å
573	G	44.3	Very low	50.7	Low	63 Å²	63	135.4 Å²	135.4	65%	0.649	78%	0.78	S	S	*	*			trans	-55.1	135.6	176.5	0	0	0	0	0	109.7	P571	P571-G573 PolarHBondContact O-N 3.4Å
574	A	42.3	Very low	48.9	Very low	96 Å²	96	137.4 Å²	137.4	79%	0.793	80%	0.796	S	S	*	*			trans	-52.8	133.7	175.9	0	0	0	0	0	110.9	M572 G576	M572-A574 PolarHBondContact O-N 3.41Å; A574-G576 PolarHBondContact O-N 3.46Å; A574-G576 VanDerWaalsContact O-N 3.07Å
575	P	46.6	Very low	47.3	Very low	141 Å²	141	140.3 Å²	140.3	92%	0.916	82%	0.816	S	S	*	*			trans	-70.5	103.3	171.7	-10.5	25.3	0	0	0	109.1
576	G	47.7	Very low	45.9	Very low	75 Å²	75	142.8 Å²	142.8	77%	0.773	83%	0.827	S	S	*	*			trans	-94.7	128.9	172.6	0	0	0	0	0	111.3	A574	A574-G576 PolarHBondContact O-N 3.46Å; A574-G576 VanDerWaalsContact O-N 3.07Å
577	G	44.3	Very low	44.7	Very low	82 Å²	82	141.9 Å²	141.9	85%	0.845	84%	0.835	S	S	*	*			trans	95.4	80.7	148.8	0	0	0	0	0	116.8
578	M	41.9	Very low	43.9	Very low	205 Å²	205	141.3 Å²	141.3	100%	1.01	84%	0.843	S	S	*	*			trans	-88.6	135.4	158.6	-164.8	168.6	174.6	0	0	108.6
579	G	47.2	Very low	43.4	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	84%	0.843	S	S	*	*			trans	124.5	107.9	177.4	0	0	0	0	0	109.4
580	G	44.7	Very low	43.6	Very low	76 Å²	76	136.6 Å²	136.6	78%	0.784	85%	0.851	S	S	*	*			cis	110.1	121.7	38.2	0	0	0	0	0	107.2
581	M	37.2	Very low	44	Very low	179 Å²	179	134.7 Å²	134.7	88%	0.882	86%	0.855	S	S	*	*			trans	76.2	105.5	167.1	-76.5	167.3	171.3	0	0	118.1
582	D	41.1	Very low	44.1	Very low	138 Å²	138	135.3 Å²	135.3	74%	0.738	86%	0.858	S	S	*	*				156.5	128.5	99.2	-82.7	-26	0	0	0	112
583	Y	48.4	Very low	44.2	Very low	306 Å²	306	130.6 Å²	130.6	100%	1.2	85%	0.852	S	S	*	*			trans	79.7	0	177.6	-64.3	-79.4	0	0	0	120.1

Retrieved 583 of 583 residues in 824.3 ms (Link to these results)

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