A0A087X1G4_HUMAN Loading...

Nudix (Nucleoside diphosphate linked moiety X)-type motif 13, isoform CRA_c

AlphaFold DB , UniProt , Accession A0A087X1G4, Species HUMAN (Homo sapiens, Human), Gene NUDT13, Length 241 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	33.3	Very low	33.8	Very low	238 Å²	238	158.3 Å²	158.3	100%	1.172	84%	0.844	S	S	*	*				0	101.7	0	-76.5	159.3	121.4	0	0	106.7
2	S	31	Very low	33.9	Very low	109 Å²	109	159.1 Å²	159.1	76%	0.762	83%	0.834	S	S	*	*				65.4	125.5	97.3	-116.1	0	0	0	0	111
3	L	30.4	Very low	34.1	Very low	146 Å²	146	160.2 Å²	160.2	76%	0.764	83%	0.829	S	S	*	*			cis	-160.9	138.5	31	-78.2	142.1	0	0	0	108
4	Y	32.6	Very low	34.4	Very low	224 Å²	224	161.1 Å²	161.1	88%	0.878	82%	0.824	S	S	*	*				44.6	129.2	99.5	-84.8	-85	0	0	0	118.4
5	C	29.2	Very low	34.9	Very low	136 Å²	136	162.1 Å²	162.1	92%	0.919	81%	0.813	S	S	*	*			trans	137.1	127.7	134.6	-161.5	0	0	0	0	111
6	G	30.4	Very low	35.3	Very low	69 Å²	69	158.5 Å²	158.5	71%	0.711	81%	0.806	S	S	*	*			cis	-175.1	141.3	2	0	0	0	0	0	108.6
7	I	41.8	Very low	35.8	Very low	171 Å²	171	159.5 Å²	159.5	88%	0.877	80%	0.799	S	S	*	*			trans	-74.5	131.2	172	-66.5	163	0	0	0	108.1
8	A	33	Very low	36.7	Very low	95 Å²	95	162.8 Å²	162.8	79%	0.785	80%	0.801	S	S	*	*			trans	-139.3	75.1	163.6	0	0	0	0	0	110.4	R10	A8-R10 PolarHBondContact O-N 3.45Å
9	C	36.8	Very low	37.4	Very low	109 Å²	109	163.2 Å²	163.2	74%	0.736	81%	0.806	S	S	*	*			trans	-78	98.1	162.4	-165.4	0	0	0	0	108.1	R11	C9-R11 PolarHBondContact O-N 3.5Å
10	R	35.8	Very low	38.5	Very low	224 Å²	224	159 Å²	159	85%	0.845	79%	0.786	S	S	*	*			trans	-94.1	73.9	166.7	-82.3	-168.7	-176.3	-139.3	3.3	109.9	A8 K12	A8-R10 PolarHBondContact O-N 3.45Å; R10-K12 PolarHBondContact O-N 3.34Å
11	R	37.5	Very low	40.4	Very low	220 Å²	220	154.7 Å²	154.7	83%	0.83	77%	0.772	S	S	*	*			trans	-76.7	97.9	153.5	-99.4	-177.9	169.3	-179.1	-2.5	107.1	C9 F13	C9-R11 PolarHBondContact O-N 3.5Å; R11-F13 PolarHBondContact O-N 2.83Å
12	K	34.9	Very low	42.7	Very low	168 Å²	168	147.6 Å²	147.6	73%	0.73	74%	0.742	S	S	*	*			trans	-58.9	100.5	167.4	-77.2	-177.4	176.7	179.7	0	107.9	R10 F14	R10-K12 PolarHBondContact O-N 3.34Å; K12-F14 VanDerWaalsContact C-N 3.29Å; K12-F14 PolarHBondContact O-N 2.63Å
13	F	37.3	Very low	45.3	Very low	173 Å²	173	150.2 Å²	150.2	76%	0.759	74%	0.736	S	S	*	*			trans	-69.4	93.1	163.8	-111.9	-92.6	0	0	0	106.8	R11 W15	R11-F13 PolarHBondContact O-N 2.83Å; F13-W15 VanDerWaalsContact C-N 3.3Å; F13-W15 AromaticContact CD1-CD1 3.9Å; F13-W15 AromaticContact CD1-NE1 3.92Å; F13-W15 PolarHBondContact O-N 3.12Å
14	F	37.9	Very low	48.1	Very low	173 Å²	173	145.6 Å²	145.6	76%	0.759	71%	0.714	S	S	*	*			trans	-67.1	98.7	162.2	-106.1	-94.1	0	0	0	106.6	K12 C16	K12-F14 VanDerWaalsContact C-N 3.29Å; K12-F14 PolarHBondContact O-N 2.63Å; F14-C16 PolarHBondContact O-N 2.87Å
15	W	41.8	Very low	50.8	Low	177 Å²	177	137.4 Å²	137.4	67%	0.67	69%	0.687	S	S	*	*			trans	-67.8	74.7	165.8	-86	31.4	0	0	0	109	F13 Y17	F13-W15 VanDerWaalsContact C-N 3.3Å; F13-W15 AromaticContact CD1-CD1 3.9Å; F13-W15 AromaticContact CD1-NE1 3.92Å; F13-W15 PolarHBondContact O-N 3.12Å; W15-Y17 HydrophobicContact CD2-CE2 4.06Å; W15-Y17 HydrophobicContact CE3-CD2 4.04Å; W15-Y17 HydrophobicContact CE3-CE1 4.39Å; W15-Y17 AromaticContact CE3-CE2 3.11Å; W15-Y17 HydrophobicContact CE3-CE2 3.11Å; W15-Y17 AromaticContact CE3-CZ 3.35Å; W15-Y17 WeakPolarHBondContact CH2-OH 3.43Å; W15-Y17 HydrophobicContact CZ3-CE1 4.39Å; W15-Y17 AromaticContact CZ3-CE2 3.49Å; W15-Y17 HydrophobicContact CZ3-CE2 3.49Å; W15-Y17 VanDerWaalsContact CZ3-CE2 3.49Å; W15-Y17 AromaticContact CZ3-CZ 3.28Å; W15-Y17 WeakPolarHBondContact CZ3-OH 3.43Å; W15-Y17 PolarHBondContact O-N 2.85Å; W15-Y17 VanDerWaalsContact O-N 3.15Å
16	C	41	Very low	53.8	Low	104 Å²	104	134.4 Å²	134.4	70%	0.703	66%	0.659	S	S	*	*			trans	-75.7	90.1	152.3	-70.6	0	0	0	0	105.9	F14 R18	F14-C16 PolarHBondContact O-N 2.87Å; C16-R18 PolarHBondContact O-N 3.42Å
17	Y	43.9	Very low	56.7	Low	175 Å²	175	132.9 Å²	132.9	69%	0.686	64%	0.635	S	S	*	*			trans	-59.7	90.3	158.5	-78.5	-73.8	0	0	0	107.2	W15 L19	W15-Y17 HydrophobicContact CD2-CE2 4.06Å; W15-Y17 HydrophobicContact CE3-CD2 4.04Å; W15-Y17 HydrophobicContact CE3-CE1 4.39Å; W15-Y17 AromaticContact CE3-CE2 3.11Å; W15-Y17 HydrophobicContact CE3-CE2 3.11Å; W15-Y17 AromaticContact CE3-CZ 3.35Å; W15-Y17 WeakPolarHBondContact CH2-OH 3.43Å; W15-Y17 HydrophobicContact CZ3-CE1 4.39Å; W15-Y17 AromaticContact CZ3-CE2 3.49Å; W15-Y17 HydrophobicContact CZ3-CE2 3.49Å; W15-Y17 VanDerWaalsContact CZ3-CE2 3.49Å; W15-Y17 AromaticContact CZ3-CZ 3.28Å; W15-Y17 WeakPolarHBondContact CZ3-OH 3.43Å; W15-Y17 PolarHBondContact O-N 2.85Å; W15-Y17 VanDerWaalsContact O-N 3.15Å; Y17-L19 VanDerWaalsContact C-N 3.28Å; Y17-L19 PolarHBondContact O-N 2.82Å
18	R	52	Low	59.2	Low	219 Å²	219	131.7 Å²	131.7	83%	0.826	62%	0.62	S	S	*	*			trans	-59.5	106.1	156.1	-88.5	-175.9	175.1	-176.7	-1.1	104.1	C16 L20	C16-R18 PolarHBondContact O-N 3.42Å; R18-L20 PolarHBondContact O-N 3.1Å
19	L	50.8	Low	62.2	Low	171 Å²	171	128.6 Å²	128.6	90%	0.895	59%	0.588	S	S	*	*			trans	-52.7	97.5	160.5	-72	164.7	0	0	0	105	Y17 S21	Y17-L19 VanDerWaalsContact C-N 3.28Å; Y17-L19 PolarHBondContact O-N 2.82Å; L19-S21 PolarHBondContact O-N 3.3Å; L19-S21 VanDerWaalsContact O-N 3.14Å
20	L	58.9	Low	65	Low	79 Å²	79	124.9 Å²	124.9	41%	0.414	56%	0.561	S	S	.	*			trans	-66.6	119.7	179.5	-72.9	164	0	0	0	104.9	R18 T22 V24	R18-L20 PolarHBondContact O-N 3.1Å; L20-T22 PolarHBondContact O-N 3.35Å; L20-V24 HydrophobicContact CD2-CB 4.33Å; L20-V24 HydrophobicContact CD2-CG1 3.84Å
21	S	78.2	Confident	67.8	Low	69 Å²	69	120.1 Å²	120.1	48%	0.483	55%	0.547	S	S	.	.			trans	-46.4	139.2	169.4	168.2	0	0	0	0	108.7	L19 Y23 V24 T25	L19-S21 PolarHBondContact O-N 3.3Å; L19-S21 VanDerWaalsContact O-N 3.14Å; S21-Y23 PolarHBondContact O-N 3.09Å; S21-Y23 PolarHBondContact OG-N 3.36Å; S21-V24 PolarHBondContact O-N 3.49Å; S21-T25 PolarHBondContact O-N 2.94Å
22	T	82.5	Confident	70.6	Confident	89 Å²	89	114.8 Å²	114.8	55%	0.546	53%	0.531	S	S	.	.	H	α-helix	trans	-48.6	-32.9	176.3	50.7	0	0	0	0	111.3	L20 K26	L20-T22 PolarHBondContact O-N 3.35Å; T22-K26 WeakPolarHBondContact O-CB 3.46Å; T22-K26 PolarHBondContact O-N 3.48Å
23	Y	85.1	Confident	73.6	Confident	163 Å²	163	106.9 Å²	106.9	64%	0.639	50%	0.497	S	S	*	.	H	α-helix	trans	-58.1	-47.2	172.3	-178.7	-95	0	0	0	114.1	S21 K26 T27	S21-Y23 PolarHBondContact O-N 3.09Å; S21-Y23 PolarHBondContact OG-N 3.36Å; Y23-K26 PolarHBondContact O-N 3.14Å; Y23-T27 VanDerWaalsContact O-CB 3.26Å; Y23-T27 WeakPolarHBondContact O-CB 3.28Å; Y23-T27 PolarHBondContact O-N 3.28Å; Y23-T27 PolarHBondContact O-OG1 3.09Å
24	V	89	Confident	76.4	Confident	49 Å²	49	102.3 Å²	102.3	30%	0.297	48%	0.477	S	S	.	.	H	α-helix	trans	-69.4	-41.9	-176.4	179	0	0	0	0	110.4	L20 S21 T27 R28	L20-V24 HydrophobicContact CD2-CB 4.33Å; L20-V24 HydrophobicContact CD2-CG1 3.84Å; S21-V24 PolarHBondContact O-N 3.49Å; V24-T27 PolarHBondContact O-N 3.29Å; V24-R28 WeakPolarHBondContact O-CB 3.22Å; V24-R28 WeakPolarHBondContact O-CG 3.39Å; V24-R28 PolarHBondContact O-N 2.91Å
25	T	89.4	Confident	79.2	Confident	52 Å²	52	99.7 Å²	99.7	32%	0.319	47%	0.467	S	S	.	.	H	α-helix	trans	-62	-47.4	176.3	-55.8	0	0	0	0	110.9	S21 T27 R28 Y29	S21-T25 PolarHBondContact O-N 2.94Å; T25-T27 PolarHBondContact O-N 2.99Å; T25-R28 PolarHBondContact O-N 3.15Å; T25-Y29 WeakPolarHBondContact O-CB 3.45Å; T25-Y29 PolarHBondContact O-N 3.06Å
26	K	91.3	Very high	81.8	Confident	73 Å²	73	94.7 Å²	94.7	32%	0.317	45%	0.453	S	S	.	.	H	α-helix	trans	-58.4	-46.6	175.8	-174.7	177.6	169.2	157.1	0	112.3	T22 Y23 Y29 L30 C98	T22-K26 WeakPolarHBondContact O-CB 3.46Å; T22-K26 PolarHBondContact O-N 3.48Å; Y23-K26 PolarHBondContact O-N 3.14Å; K26-Y29 PolarHBondContact O-N 3.4Å; K26-L30 HydrophobicContact CG-CD1 4.47Å; K26-L30 PolarHBondContact O-N 2.83Å; K26-C98 WeakPolarHBondContact CE-O 3.38Å; K26-C98 WeakPolarHBondContact CG-SG 3.29Å; K26-C98 PolarHBondContact NZ-O 3.05Å
27	T	92	Very high	84.4	Confident	37 Å²	37	92.6 Å²	92.6	23%	0.227	44%	0.435	C	S	.	.	H	α-helix	trans	-63.7	-44.9	-179.3	-61.4	0	0	0	0	111.3	Y23 V24 T25 L30 F31	Y23-T27 VanDerWaalsContact O-CB 3.26Å; Y23-T27 WeakPolarHBondContact O-CB 3.28Å; Y23-T27 PolarHBondContact O-N 3.28Å; Y23-T27 PolarHBondContact O-OG1 3.09Å; V24-T27 PolarHBondContact O-N 3.29Å; T25-T27 PolarHBondContact O-N 2.99Å; T27-L30 PolarHBondContact O-N 2.96Å; T27-F31 HydrophobicContact CG2-CD2 3.57Å; T27-F31 HydrophobicContact CG2-CE2 3.38Å; T27-F31 WeakPolarHBondContact O-CD2 3.37Å; T27-F31 PolarHBondContact O-N 2.88Å
28	R	94	Very high	86.9	Confident	147 Å²	147	89.2 Å²	89.2	56%	0.555	43%	0.429	S	S	*	.	H	α-helix	trans	-60.8	-46	176.6	-77.5	177.8	175	161.7	-1	112.2	V24 T25 L30 F31 E32	V24-R28 WeakPolarHBondContact O-CB 3.22Å; V24-R28 WeakPolarHBondContact O-CG 3.39Å; V24-R28 PolarHBondContact O-N 2.91Å; T25-R28 PolarHBondContact O-N 3.15Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 2.94Å; R28-F31 PolarHBondContact O-N 3.28Å; R28-E32 PolarHBondContact O-N 2.96Å
29	Y	95.6	Very high	89.1	Confident	29 Å²	29	79.4 Å²	79.4	11%	0.114	39%	0.394	C	S	.	.	H	α-helix	trans	-58.5	-46.5	176.6	180	-119.5	0	0	0	111.3	T25 K26 F31 E32 L33 C98 Q102 A104	T25-Y29 WeakPolarHBondContact O-CB 3.45Å; T25-Y29 PolarHBondContact O-N 3.06Å; K26-Y29 PolarHBondContact O-N 3.4Å; Y29-F31 VanDerWaalsContact C-N 3.34Å; Y29-F31 PolarHBondContact O-N 3.43Å; Y29-E32 WeakPolarHBondContact O-CB 3.23Å; Y29-E32 PolarHBondContact O-N 2.93Å; Y29-L33 HydrophobicContact CD1-CD1 4.37Å; Y29-L33 HydrophobicContact CD2-CG 4.45Å; Y29-L33 HydrophobicContact CE1-CD1 3.76Å; Y29-L33 HydrophobicContact CE1-CG 4.42Å; Y29-L33 HydrophobicContact CE2-CD1 4.21Å; Y29-L33 HydrophobicContact CE2-CD2 3.91Å; Y29-L33 HydrophobicContact CE2-CG 4.09Å; Y29-L33 WeakPolarHBondContact O-CG 3.25Å; Y29-L33 PolarHBondContact O-N 3.41Å; Y29-C98 HydrophobicContact CD1-CB 4.04Å; Y29-C98 HydrophobicContact CE1-CB 4.03Å; Y29-Q102 HydrophobicContact CD1-CB 3.87Å; Y29-Q102 HydrophobicContact CD1-CG 4.06Å; Y29-Q102 HydrophobicContact CD2-CB 4.4Å; Y29-Q102 HydrophobicContact CD2-CG 4.43Å; Y29-Q102 HydrophobicContact CE1-CB 3.76Å; Y29-Q102 HydrophobicContact CE1-CG 4.46Å; Y29-Q102 VanDerWaalsContact CE1-O 3.26Å; Y29-Q102 WeakPolarHBondContact CE1-O 3.39Å; Y29-Q102 HydrophobicContact CE2-CB 4.3Å; Y29-Q102 HydrophobicContact CG-CB 4.21Å; Y29-Q102 HydrophobicContact CG-CG 4.06Å; Y29-Q102 PolarHBondContact OH-O 3.41Å; Y29-Q102 VanDerWaalsContact OH-O 3.09Å; Y29-A104 HydrophobicContact CE1-CB 4.47Å
30	L	95.3	Very high	91.3	Very high	32 Å²	32	71.2 Å²	71.2	17%	0.168	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-38.1	175.6	-73.8	171.9	0	0	0	113.5	K26 T27 R28 K34 L95 C98	K26-L30 HydrophobicContact CG-CD1 4.47Å; K26-L30 PolarHBondContact O-N 2.83Å; T27-L30 PolarHBondContact O-N 2.96Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 2.94Å; L30-K34 WeakPolarHBondContact O-CG 3.43Å; L30-K34 PolarHBondContact O-N 2.9Å; L30-K34 VanDerWaalsContact O-N 3.15Å; L30-L95 HydrophobicContact CD2-CD1 4.42Å; L30-L95 HydrophobicContact CD2-CD2 4.06Å; L30-L95 HydrophobicContact CD2-CG 4.32Å; L30-C98 HydrophobicContact CD2-CB 4.01Å; L30-C98 HydrophobicContact CG-CB 4.48Å; L30-C98 WeakPolarHBondContact CG-SG 3.47Å
31	F	95.6	Very high	93.1	Very high	124 Å²	124	71.6 Å²	71.6	54%	0.544	35%	0.35	S	S	.	.	H	α-helix	trans	-67.2	-41.3	176.7	-85.5	-65.8	0	0	0	112.1	T27 R28 Y29 K34 E35	T27-F31 HydrophobicContact CG2-CD2 3.57Å; T27-F31 HydrophobicContact CG2-CE2 3.38Å; T27-F31 WeakPolarHBondContact O-CD2 3.37Å; T27-F31 PolarHBondContact O-N 2.88Å; R28-F31 PolarHBondContact O-N 3.28Å; Y29-F31 VanDerWaalsContact C-N 3.34Å; Y29-F31 PolarHBondContact O-N 3.43Å; F31-K34 PolarHBondContact O-N 3.45Å; F31-K34 VanDerWaalsContact O-N 3.17Å; F31-E35 PolarHBondContact O-N 2.85Å
32	E	97	Very high	93.9	Very high	107 Å²	107	75.4 Å²	75.4	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-56.2	-52.5	173.9	-179.5	-179	-175.8	0	0	110.6	R28 Y29 K34 E35 D36 A39	R28-E32 PolarHBondContact O-N 2.96Å; Y29-E32 WeakPolarHBondContact O-CB 3.23Å; Y29-E32 PolarHBondContact O-N 2.93Å; E32-K34 PolarHBondContact O-N 3.11Å; E32-K34 VanDerWaalsContact O-N 3.15Å; E32-E35 PolarHBondContact O-N 3.03Å; E32-E35 VanDerWaalsContact O-N 3.16Å; E32-D36 PolarHBondContact O-N 3.44Å; E32-A39 HydrophobicContact CG-CB 4.31Å
33	L	97.3	Very high	94.6	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-26	178.6	-60.8	-172.7	0	0	0	113.6	Y29 A39 C40 A43 L95 A104 A181	Y29-L33 HydrophobicContact CD1-CD1 4.37Å; Y29-L33 HydrophobicContact CD2-CG 4.45Å; Y29-L33 HydrophobicContact CE1-CD1 3.76Å; Y29-L33 HydrophobicContact CE1-CG 4.42Å; Y29-L33 HydrophobicContact CE2-CD1 4.21Å; Y29-L33 HydrophobicContact CE2-CD2 3.91Å; Y29-L33 HydrophobicContact CE2-CG 4.09Å; Y29-L33 WeakPolarHBondContact O-CG 3.25Å; Y29-L33 PolarHBondContact O-N 3.41Å; L33-A39 HydrophobicContact CD2-CB 4.23Å; L33-C40 WeakPolarHBondContact O-CB 3.47Å; L33-C40 PolarHBondContact O-SG 3.38Å; L33-A43 HydrophobicContact CD1-CB 3.93Å; L33-A43 HydrophobicContact CD2-CB 3.68Å; L33-A43 HydrophobicContact CG-CB 4.46Å; L33-L95 HydrophobicContact CB-CD2 3.64Å; L33-L95 HydrophobicContact CD1-CD1 3.96Å; L33-L95 HydrophobicContact CD1-CD2 4.08Å; L33-A104 HydrophobicContact CD1-CB 3.77Å; L33-A181 WeakPolarHBondContact O-CB 3.23Å
34	K	96.5	Very high	95.1	Very high	77 Å²	77	64 Å²	64	34%	0.335	31%	0.305	S	S	.	.	H	α-helix	trans	-80.8	-24.8	179.8	-76.7	176.7	177	-177.7	0	113.6	L30 F31 E32 L95 N179 A181 S183	L30-K34 WeakPolarHBondContact O-CG 3.43Å; L30-K34 PolarHBondContact O-N 2.9Å; L30-K34 VanDerWaalsContact O-N 3.15Å; F31-K34 PolarHBondContact O-N 3.45Å; F31-K34 VanDerWaalsContact O-N 3.17Å; E32-K34 PolarHBondContact O-N 3.11Å; E32-K34 VanDerWaalsContact O-N 3.15Å; K34-L95 HydrophobicContact CG-CD2 4.08Å; K34-N179 PolarHBondContact O-ND2 3.04Å; K34-N179 VanDerWaalsContact O-ND2 3.08Å; K34-A181 HydrophobicContact CG-CB 4.41Å; K34-S183 PolarHBondContact O-OG 3.39Å
35	E	95.5	Very high	95.3	Very high	118 Å²	118	67.8 Å²	67.8	55%	0.551	32%	0.319	S	S	*	.	H	α-helix	trans	-105	-31.5	-176.9	-66.8	-54.4	142.3	0	0	113.1	F31 E32 K184	F31-E35 PolarHBondContact O-N 2.85Å; E32-E35 PolarHBondContact O-N 3.03Å; E32-E35 VanDerWaalsContact O-N 3.16Å; E35-K184 IonicContact OE1-NZ 2.63Å; E35-K184 IonicContact OE2-NZ 2.83Å; E35-K184 PolarHBondContact OE2-NZ 2.84Å
36	D	97	Very high	95.6	Very high	73 Å²	73	70.2 Å²	70.2	39%	0.39	33%	0.334	S	S	.	.			trans	-104.7	105	178.6	-175.1	-20.1	0	0	0	110.5	E32 D38 A39 C40	E32-D36 PolarHBondContact O-N 3.44Å; D36-D38 VanDerWaalsContact C-N 3.29Å; D36-D38 PolarHBondContact O-N 2.99Å; D36-D38 WeakPolarHBondContact OD1-CA 3.1Å; D36-D38 WeakPolarHBondContact OD1-CB 3.21Å; D36-D38 PolarHBondContact OD1-N 3.1Å; D36-A39 HydrophobicContact CB-CB 3.81Å; D36-A39 PolarHBondContact O-N 2.94Å; D36-A39 PolarHBondContact OD1-N 3.32Å; D36-C40 WeakPolarHBondContact O-CB 3.48Å; D36-C40 PolarHBondContact O-N 3.42Å
37	D	95.9	Very high	95.9	Very high	60 Å²	60	67 Å²	67	32%	0.321	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-31.1	179.2	-80.3	-19.6	0	0	0	112.4	C40 K41 N179 V180	D37-C40 PolarHBondContact O-N 2.79Å; D37-K41 WeakPolarHBondContact O-CB 3.45Å; D37-K41 VanDerWaalsContact O-CG 3.29Å; D37-K41 WeakPolarHBondContact O-CG 3.19Å; D37-K41 PolarHBondContact O-N 3.2Å; D37-N179 WeakPolarHBondContact OD1-CB 3.4Å; D37-V180 HydrophobicContact CB-CB 4.24Å; D37-V180 HydrophobicContact CB-CG2 3.66Å; D37-V180 PolarHBondContact OD1-N 2.83Å
38	D	96.9	Very high	96.1	Very high	103 Å²	103	65.5 Å²	65.5	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-73.6	-39.5	178.1	-69.9	-31.3	0	0	0	110.9	D36 C40 K41 K42	D36-D38 VanDerWaalsContact C-N 3.29Å; D36-D38 PolarHBondContact O-N 2.99Å; D36-D38 WeakPolarHBondContact OD1-CA 3.1Å; D36-D38 WeakPolarHBondContact OD1-CB 3.21Å; D36-D38 PolarHBondContact OD1-N 3.1Å; D38-C40 VanDerWaalsContact C-N 3.31Å; D38-K41 PolarHBondContact O-N 2.86Å; D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.87Å; D38-K42 VanDerWaalsContact O-N 3.08Å
39	A	97	Very high	96.3	Very high	13 Å²	13	58.5 Å²	58.5	11%	0.107	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-41.5	170.8	0	0	0	0	0	111.1	E32 L33 D36 K42 A43	E32-A39 HydrophobicContact CG-CB 4.31Å; L33-A39 HydrophobicContact CD2-CB 4.23Å; D36-A39 HydrophobicContact CB-CB 3.81Å; D36-A39 PolarHBondContact O-N 2.94Å; D36-A39 PolarHBondContact OD1-N 3.32Å; A39-K42 PolarHBondContact O-N 3.42Å; A39-A43 PolarHBondContact O-N 3.11Å
40	C	97.2	Very high	96.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-46.3	176.4	-156.7	0	0	0	0	112.6	L33 D36 D37 D38 K42 A43 Q44 V180	L33-C40 WeakPolarHBondContact O-CB 3.47Å; L33-C40 PolarHBondContact O-SG 3.38Å; D36-C40 WeakPolarHBondContact O-CB 3.48Å; D36-C40 PolarHBondContact O-N 3.42Å; D37-C40 PolarHBondContact O-N 2.79Å; D38-C40 VanDerWaalsContact C-N 3.31Å; C40-K42 VanDerWaalsContact C-N 3.31Å; C40-K42 PolarHBondContact O-N 3.37Å; C40-A43 CarbonylContact O-C 3.48Å; C40-A43 WeakPolarHBondContact O-CA 3.46Å; C40-A43 WeakPolarHBondContact O-CB 3.35Å; C40-A43 PolarHBondContact O-N 3.46Å; C40-Q44 PolarHBondContact O-N 3.4Å; C40-V180 HydrophobicContact CB-CB 4.08Å; C40-V180 HydrophobicContact CB-CG1 3.86Å
41	K	95.9	Very high	96.5	Very high	87 Å²	87	56.2 Å²	56.2	38%	0.378	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-41.3	175.8	-76.2	175.2	-178.4	-179.9	0	112	D37 D38 A43 Q44 V180	D37-K41 WeakPolarHBondContact O-CB 3.45Å; D37-K41 VanDerWaalsContact O-CG 3.29Å; D37-K41 WeakPolarHBondContact O-CG 3.19Å; D37-K41 PolarHBondContact O-N 3.2Å; D38-K41 PolarHBondContact O-N 2.86Å; K41-A43 VanDerWaalsContact C-N 3.32Å; K41-A43 PolarHBondContact O-N 3Å; K41-Q44 PolarHBondContact O-N 3.35Å; K41-V180 HydrophobicContact CD-CG2 4.42Å; K41-V180 HydrophobicContact CG-CG1 3.93Å; K41-V180 HydrophobicContact CG-CG2 4.06Å
42	K	96.1	Very high	96.5	Very high	149 Å²	149	50.3 Å²	50.3	65%	0.648	25%	0.25	S	S	*	.	H	α-helix	trans	-62.4	-41.3	173.6	-71	169	-173.5	168.5	0	111.4	D38 A39 C40 Q44 Q45	D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.87Å; D38-K42 VanDerWaalsContact O-N 3.08Å; A39-K42 PolarHBondContact O-N 3.42Å; C40-K42 VanDerWaalsContact C-N 3.31Å; C40-K42 PolarHBondContact O-N 3.37Å; K42-Q44 VanDerWaalsContact C-N 3.31Å; K42-Q44 PolarHBondContact O-N 3.42Å; K42-Q45 WeakPolarHBondContact O-CB 3.26Å; K42-Q45 PolarHBondContact O-N 3.03Å
43	A	96.5	Very high	96.3	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-28.2	178	0	0	0	0	0	113.2	L33 A39 C40 K41 Q45 T46 G47 A104 F106	L33-A43 HydrophobicContact CD1-CB 3.93Å; L33-A43 HydrophobicContact CD2-CB 3.68Å; L33-A43 HydrophobicContact CG-CB 4.46Å; A39-A43 PolarHBondContact O-N 3.11Å; C40-A43 CarbonylContact O-C 3.48Å; C40-A43 WeakPolarHBondContact O-CA 3.46Å; C40-A43 WeakPolarHBondContact O-CB 3.35Å; C40-A43 PolarHBondContact O-N 3.46Å; K41-A43 VanDerWaalsContact C-N 3.32Å; K41-A43 PolarHBondContact O-N 3Å; A43-Q45 PolarHBondContact O-N 3.29Å; A43-T46 PolarHBondContact O-N 3.36Å; A43-G47 WeakPolarHBondContact O-CA 3.47Å; A43-G47 PolarHBondContact O-N 2.89Å; A43-A104 HydrophobicContact CB-CB 3.9Å; A43-F106 HydrophobicContact CB-CZ 4.28Å
44	Q	95.4	Very high	96.1	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-28.6	172.2	-73.5	176.3	-38.1	0	0	112.7	C40 K41 K42 T46 F49 I90 S93 F106	C40-Q44 PolarHBondContact O-N 3.4Å; K41-Q44 PolarHBondContact O-N 3.35Å; K42-Q44 VanDerWaalsContact C-N 3.31Å; K42-Q44 PolarHBondContact O-N 3.42Å; Q44-T46 VanDerWaalsContact C-N 3.34Å; Q44-T46 PolarHBondContact O-N 2.82Å; Q44-F49 HydrophobicContact CB-CZ 4.25Å; Q44-F49 HydrophobicContact CG-CZ 4.45Å; Q44-I90 PolarHBondContact NE2-O 3.16Å; Q44-S93 PolarHBondContact NE2-OG 2.56Å; Q44-S93 VanDerWaalsContact NE2-OG 3.09Å; Q44-F106 HydrophobicContact CB-CE2 4.42Å; Q44-F106 HydrophobicContact CB-CZ 4.39Å; Q44-F106 HydrophobicContact CG-CD1 4.22Å; Q44-F106 HydrophobicContact CG-CD2 4.39Å; Q44-F106 HydrophobicContact CG-CE1 3.7Å; Q44-F106 HydrophobicContact CG-CE2 3.9Å; Q44-F106 HydrophobicContact CG-CZ 3.53Å
45	Q	94.8	Very high	96	Very high	128 Å²	128	46.9 Å²	46.9	60%	0.598	24%	0.243	S	C	*	.	H	α-helix	trans	-68.3	-32	179.7	-58.9	-61.6	-41.9	0	0	113.1	K42 A43	K42-Q45 WeakPolarHBondContact O-CB 3.26Å; K42-Q45 PolarHBondContact O-N 3.03Å; A43-Q45 PolarHBondContact O-N 3.29Å
46	T	95.5	Very high	96	Very high	103 Å²	103	41.4 Å²	41.4	63%	0.632	22%	0.218	S	C	*	.	H	α-helix	trans	-115.3	-3.5	-176.2	58.3	0	0	0	0	113.5	A43 Q44	A43-T46 PolarHBondContact O-N 3.36Å; Q44-T46 VanDerWaalsContact C-N 3.34Å; Q44-T46 PolarHBondContact O-N 2.82Å
47	G	95.9	Very high	96	Very high	5 Å²	5	37.9 Å²	37.9	5%	0.052	20%	0.199	C	C	.	.			trans	-80	-179.8	-177.8	0	0	0	0	0	113.9	A43 A104	A43-G47 WeakPolarHBondContact O-CA 3.47Å; A43-G47 PolarHBondContact O-N 2.89Å; G47-A104 CarbonylContact C-O 3.59Å; G47-A104 WeakPolarHBondContact CA-O 3.25Å
48	A	97.4	Very high	96.1	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.2	176.4	0	0	0	0	0	111.7	R70 H71 A104 W105 F106	A48-R70 HydrophobicContact CB-CB 4.16Å; A48-R70 HydrophobicContact CB-CG 4.41Å; A48-H71 CarbonylContact C-O 3.53Å; A48-H71 WeakPolarHBondContact CA-O 3.44Å; A48-A104 PolarHBondContact N-O 2.93Å; A48-W105 CarbonylContact O-C 3.52Å; A48-W105 WeakPolarHBondContact O-CA 3.41Å; A48-F106 PolarHBondContact O-N 2.91Å
49	F	97.9	Very high	96.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.9	-176.2	-64.8	-95.7	0	0	0	111.3	Q44 H71 L73 L76 I90 F106	Q44-F49 HydrophobicContact CB-CZ 4.25Å; Q44-F49 HydrophobicContact CG-CZ 4.45Å; F49-H71 PolarHBondContact N-O 2.75Å; F49-H71 PolarHBondContact O-N 2.8Å; F49-L73 HydrophobicContact CE2-CB 4.16Å; F49-L73 HydrophobicContact CE2-CD1 4.05Å; F49-L73 HydrophobicContact CZ-CD1 4.08Å; F49-L76 HydrophobicContact CB-CD2 3.98Å; F49-L76 HydrophobicContact CD1-CD2 3.55Å; F49-L76 HydrophobicContact CD2-CD2 4.02Å; F49-L76 HydrophobicContact CE1-CD2 4Å; F49-L76 HydrophobicContact CE2-CD2 4.43Å; F49-L76 HydrophobicContact CG-CD2 3.57Å; F49-L76 HydrophobicContact CZ-CD2 4.42Å; F49-I90 HydrophobicContact CE1-CG2 4.1Å; F49-I90 HydrophobicContact CZ-CG2 4.07Å; F49-F106 CarbonylContact C-O 3.59Å; F49-F106 WeakPolarHBondContact CA-O 3.43Å; F49-F106 HydrophobicContact CD1-CB 3.64Å; F49-F106 HydrophobicContact CD1-CG 4.43Å; F49-F106 HydrophobicContact CE1-CB 3.71Å; F49-F106 HydrophobicContact CE1-CD2 4.17Å; F49-F106 HydrophobicContact CE1-CG 4.05Å; F49-F106 HydrophobicContact CG-CB 4.4Å; F49-F106 HydrophobicContact CZ-CD2 4.17Å; F49-F106 HydrophobicContact CZ-CG 4.49Å
50	Y	97.9	Very high	96	Very high	9 Å²	9	32.9 Å²	32.9	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.3	168.5	-67	-94.8	0	0	0	108.7	A68 R70 I96 W105 F106 A107 L108 L152 L153	Y50-A68 HydrophobicContact CD1-CB 3.97Å; Y50-A68 HydrophobicContact CE1-CB 3.79Å; Y50-R70 HydrophobicContact CE1-CG 3.84Å; Y50-R70 HydrophobicContact CE2-CG 4.05Å; Y50-R70 WeakPolarHBondContact OH-CD 3.43Å; Y50-R70 WeakPolarHBondContact OH-CG 3.43Å; Y50-I96 HydrophobicContact CD2-CD1 3.57Å; Y50-I96 HydrophobicContact CE2-CD1 4.07Å; Y50-I96 HydrophobicContact CG-CD1 4.22Å; Y50-W105 HydrophobicContact CD2-CB 4.49Å; Y50-W105 HydrophobicContact CE2-CB 3.99Å; Y50-W105 HydrophobicContact CE2-CG 4.12Å; Y50-F106 PolarHBondContact N-O 3.05Å; Y50-A107 CarbonylContact O-C 3.55Å; Y50-A107 VanDerWaalsContact O-CA 3.31Å; Y50-A107 WeakPolarHBondContact O-CA 3.41Å; Y50-L108 PolarHBondContact O-N 3.23Å; Y50-L152 HydrophobicContact CD2-CD2 4.39Å; Y50-L152 HydrophobicContact CE1-CD2 4.17Å; Y50-L152 HydrophobicContact CE2-CD2 3.62Å; Y50-L152 VanDerWaalsContact CZ-CD2 3.46Å; Y50-L152 WeakPolarHBondContact OH-CD2 3.42Å; Y50-L153 HydrophobicContact CD1-CD2 3.92Å; Y50-L153 HydrophobicContact CG-CD2 4.37Å
51	L	96.8	Very high	95.7	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.5	-173.8	-56.9	178.7	0	0	0	111.1	L58 H71 L76 L79 L108 L110 L131	L51-L58 HydrophobicContact CB-CB 4.21Å; L51-L58 HydrophobicContact CB-CD2 4.31Å; L51-L58 HydrophobicContact CD1-CD2 4.34Å; L51-L58 WeakPolarHBondContact O-CB 2.88Å; L51-L58 PolarHBondContact O-N 2.83Å; L51-H71 VanDerWaalsContact CD1-CD2 3.48Å; L51-H71 WeakPolarHBondContact CD1-CD2 3.49Å; L51-L76 HydrophobicContact CD2-CD1 3.7Å; L51-L79 HydrophobicContact CD1-CD1 4.25Å; L51-L108 CarbonylContact C-O 3.44Å; L51-L108 WeakPolarHBondContact CA-O 3.38Å; L51-L108 HydrophobicContact CD2-CB 4.4Å; L51-L110 HydrophobicContact CB-CD1 4.39Å; L51-L110 HydrophobicContact CD1-CD1 4.26Å; L51-L110 HydrophobicContact CD2-CD1 4.45Å; L51-L131 HydrophobicContact CD1-CD1 4.33Å; L51-L131 HydrophobicContact CD1-CD2 3.71Å
52	F	96.2	Very high	95.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.1	175.4	-72.1	-107.7	0	0	0	109.4	A56 P57 A107 L108 D109 L110 L153 A156 Q157 L160	F52-A56 CarbonylContact C-O 3.6Å; F52-A56 VanDerWaalsContact CA-O 3.25Å; F52-A56 WeakPolarHBondContact CA-O 3.36Å; F52-P57 HydrophobicContact CD1-CB 4.04Å; F52-P57 HydrophobicContact CE1-CB 3.63Å; F52-P57 HydrophobicContact CE1-CG 4.15Å; F52-P57 HydrophobicContact CE2-CB 4.44Å; F52-P57 HydrophobicContact CZ-CB 3.84Å; F52-A107 HydrophobicContact CD2-CB 4.14Å; F52-A107 HydrophobicContact CE2-CB 3.87Å; F52-L108 PolarHBondContact N-O 3.27Å; F52-D109 HydrophobicContact CB-CB 3.96Å; F52-D109 WeakPolarHBondContact CB-OD2 3.35Å; F52-D109 CarbonylContact O-C 3.55Å; F52-D109 WeakPolarHBondContact O-CA 3.3Å; F52-L110 PolarHBondContact O-N 3.4Å; F52-L153 HydrophobicContact CE2-CD2 4.05Å; F52-L153 HydrophobicContact CZ-CB 4.33Å; F52-L153 HydrophobicContact CZ-CD2 3.72Å; F52-A156 HydrophobicContact CE1-CB 4.48Å; F52-A156 HydrophobicContact CE2-CB 3.7Å; F52-A156 HydrophobicContact CZ-CB 3.52Å; F52-Q157 HydrophobicContact CE1-CB 4.14Å; F52-L160 HydrophobicContact CB-CD1 3.96Å; F52-L160 HydrophobicContact CD1-CD1 4.04Å; F52-L160 HydrophobicContact CD2-CD1 3.7Å; F52-L160 HydrophobicContact CE1-CD1 4.5Å; F52-L160 HydrophobicContact CE2-CD1 4.21Å; F52-L160 HydrophobicContact CG-CD1 3.63Å
53	H	93.7	Very high	94.8	Very high	27 Å²	27	33.8 Å²	33.8	13%	0.125	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	118.1	166.2	-178.7	-60.8	0	0	0	108.1	L55 A56 D109 F135	H53-L55 PolarHBondContact O-N 2.88Å; H53-A56 PolarHBondContact N-O 2.85Å; H53-A56 WeakPolarHBondContact O-CB 3.34Å; H53-A56 PolarHBondContact O-N 2.86Å; H53-D109 VanDerWaalsContact CA-OD1 3.29Å; H53-D109 WeakPolarHBondContact CA-OD1 2.75Å; H53-F135 HydrophobicContact CB-CB 4.35Å; H53-F135 HydrophobicContact CB-CD1 3.59Å; H53-F135 HydrophobicContact CB-CD2 3.82Å; H53-F135 HydrophobicContact CB-CE1 3.66Å; H53-F135 HydrophobicContact CB-CE2 3.89Å; H53-F135 HydrophobicContact CB-CG 3.66Å; H53-F135 HydrophobicContact CB-CZ 3.81Å
54	S	91.8	Very high	94.3	Very high	64 Å²	64	41.6 Å²	41.6	45%	0.448	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	44.7	-177.5	-48.2	0	0	0	0	111.9	A56 D109	S54-A56 PolarHBondContact O-N 3.44Å; S54-D109 PolarHBondContact N-OD1 2.84Å; S54-D109 PolarHBondContact N-OD2 3.35Å
55	L	94.4	Very high	94.1	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.12	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	1.3	-178.1	-51.6	176.6	0	0	0	115.6	H53 D109 L112 Q157 L160 R161	H53-L55 PolarHBondContact O-N 2.88Å; L55-D109 WeakPolarHBondContact CA-OD2 3.31Å; L55-D109 PolarHBondContact N-OD2 3.46Å; L55-L112 HydrophobicContact CD2-CD1 3.96Å; L55-Q157 HydrophobicContact CB-CG 4.09Å; L55-Q157 PolarHBondContact O-NE2 3.26Å; L55-L160 HydrophobicContact CD2-CB 3.81Å; L55-R161 HydrophobicContact CD1-CB 3.84Å; L55-R161 HydrophobicContact CD1-CG 3.96Å; L55-R161 HydrophobicContact CD2-CB 4.08Å
56	A	95.8	Very high	94.2	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.5	172.6	0	0	0	0	0	110.2	F52 H53 S54 F135	F52-A56 CarbonylContact C-O 3.6Å; F52-A56 VanDerWaalsContact CA-O 3.25Å; F52-A56 WeakPolarHBondContact CA-O 3.36Å; H53-A56 PolarHBondContact N-O 2.85Å; H53-A56 WeakPolarHBondContact O-CB 3.34Å; H53-A56 PolarHBondContact O-N 2.86Å; S54-A56 PolarHBondContact O-N 3.44Å; A56-F135 HydrophobicContact CB-CB 4.05Å; A56-F135 WeakPolarHBondContact O-CD1 3.46Å
57	P	97.2	Very high	94.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	145.5	175.8	27.1	-36.3	0	0	0	111.8	F52 L59 F135 I136 L138 L153	F52-P57 HydrophobicContact CD1-CB 4.04Å; F52-P57 HydrophobicContact CE1-CB 3.63Å; F52-P57 HydrophobicContact CE1-CG 4.15Å; F52-P57 HydrophobicContact CE2-CB 4.44Å; F52-P57 HydrophobicContact CZ-CB 3.84Å; P57-L59 HydrophobicContact CB-CD2 4.35Å; P57-L59 HydrophobicContact CB-CG 4.45Å; P57-L59 HydrophobicContact CG-CD1 4.41Å; P57-L59 HydrophobicContact CG-CD2 4.46Å; P57-L59 HydrophobicContact CG-CG 4.3Å; P57-L59 PolarHBondContact O-N 3.01Å; P57-F135 WeakPolarHBondContact O-CA 3.39Å; P57-I136 VanDerWaalsContact CD-O 3.24Å; P57-I136 WeakPolarHBondContact CD-O 3.46Å; P57-I136 PolarHBondContact O-N 3.14Å; P57-I136 VanDerWaalsContact O-N 3.11Å; P57-L138 HydrophobicContact CG-CB 4.34Å; P57-L138 HydrophobicContact CG-CD1 4.21Å; P57-L153 HydrophobicContact CB-CD1 3.96Å; P57-L153 HydrophobicContact CB-CD2 4.11Å; P57-L153 HydrophobicContact CG-CD1 4.18Å
58	L	97.3	Very high	94.1	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	123.2	165	177.8	70.4	0	0	0	108.9	L51 P69 L131 F135	L51-L58 HydrophobicContact CB-CB 4.21Å; L51-L58 HydrophobicContact CB-CD2 4.31Å; L51-L58 HydrophobicContact CD1-CD2 4.34Å; L51-L58 WeakPolarHBondContact O-CB 2.88Å; L51-L58 PolarHBondContact O-N 2.83Å; L58-P69 HydrophobicContact CD2-CG 3.56Å; L58-P69 HydrophobicContact CG-CG 3.89Å; L58-P69 WeakPolarHBondContact O-CD 3.47Å; L58-L131 HydrophobicContact CD1-CB 3.84Å; L58-L131 HydrophobicContact CD1-CD1 4.08Å; L58-L131 HydrophobicContact CD2-CB 3.84Å; L58-L131 HydrophobicContact CD2-CD1 3.97Å; L58-L131 HydrophobicContact CD2-CD2 3.97Å; L58-L131 HydrophobicContact CD2-CG 4.13Å; L58-L131 HydrophobicContact CG-CB 4.49Å; L58-F135 HydrophobicContact CB-CD1 3.93Å; L58-F135 HydrophobicContact CB-CE1 3.7Å; L58-F135 HydrophobicContact CB-CZ 4.48Å; L58-F135 HydrophobicContact CD1-CD1 4.47Å; L58-F135 HydrophobicContact CD1-CE1 4.23Å; L58-F135 HydrophobicContact CD1-CZ 4.29Å
59	L	96.9	Very high	94	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.6	177.9	-61.5	-178.5	0	0	0	110.6	P57 Y66 L67 A68 G133 S134 I136 A141 L145 L153	P57-L59 HydrophobicContact CB-CD2 4.35Å; P57-L59 HydrophobicContact CB-CG 4.45Å; P57-L59 HydrophobicContact CG-CD1 4.41Å; P57-L59 HydrophobicContact CG-CD2 4.46Å; P57-L59 HydrophobicContact CG-CG 4.3Å; P57-L59 PolarHBondContact O-N 3.01Å; L59-Y66 HydrophobicContact CB-CD1 4.06Å; L59-Y66 HydrophobicContact CB-CG 4.24Å; L59-Y66 HydrophobicContact CD1-CD1 4.35Å; L59-Y66 HydrophobicContact CD1-CD2 4.01Å; L59-Y66 HydrophobicContact CD1-CG 3.83Å; L59-L67 WeakPolarHBondContact CA-O 3.44Å; L59-A68 HydrophobicContact CD2-CB 4.17Å; L59-G133 WeakPolarHBondContact O-CA 3.46Å; L59-S134 PolarHBondContact N-O 3.3Å; L59-S134 PolarHBondContact O-N 2.93Å; L59-I136 HydrophobicContact CB-CD1 4.15Å; L59-I136 HydrophobicContact CD1-CB 4.08Å; L59-I136 HydrophobicContact CD1-CD1 4.39Å; L59-A141 HydrophobicContact CD1-CB 3.36Å; L59-L145 HydrophobicContact CD1-CD2 4.42Å; L59-L145 HydrophobicContact CD2-CD2 3.88Å; L59-L153 HydrophobicContact CD2-CD1 3.85Å
60	Q	95.4	Very high	93.9	Very high	65 Å²	65	48.6 Å²	48.6	30%	0.304	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.5	171.6	-65.8	-177.8	-33.3	0	0	109.1	Y66 L67 P69 L131 K132	Q60-Y66 WeakPolarHBondContact O-CA 3.38Å; Q60-L67 PolarHBondContact N-O 3.23Å; Q60-L67 PolarHBondContact O-N 3.04Å; Q60-P69 HydrophobicContact CG-CG 4.13Å; Q60-L131 PolarHBondContact NE2-O 3Å; Q60-K132 WeakPolarHBondContact CG-O 3.5Å; Q60-K132 PolarHBondContact NE2-O 3.41Å
61	T	91.6	Very high	93.9	Very high	100 Å²	100	49.1 Å²	49.1	61%	0.613	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.5	178.2	-54.5	0	0	0	0	109	Y66	T61-Y66 WeakPolarHBondContact OG1-CE1 3.13Å
62	S	88.2	Confident	93.9	Very high	65 Å²	65	51.3 Å²	51.3	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	104.8	172.6	-172.2	0	0	0	0	109.1	H64 Q65	S62-H64 PolarHBondContact O-N 3.11Å; S62-Q65 PolarHBondContact N-O 3.01Å; S62-Q65 PolarHBondContact O-N 2.9Å; S62-Q65 VanDerWaalsContact O-O 3.12Å
63	A	84.9	Confident	93.8	Very high	90 Å²	90	51.8 Å²	51.8	74%	0.744	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-100	-172.2	0	0	0	0	0	113.2
64	H	85.3	Confident	93.9	Very high	169 Å²	169	56.9 Å²	56.9	78%	0.782	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	8.4	-177.3	-66.7	76.1	0	0	0	113.2	S62	S62-H64 PolarHBondContact O-N 3.11Å
65	Q	92.3	Very high	94.1	Very high	116 Å²	116	57.5 Å²	57.5	54%	0.542	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151	-179.2	-69.1	-177.2	-6.5	0	0	110.8	S62 Q144	S62-Q65 PolarHBondContact N-O 3.01Å; S62-Q65 PolarHBondContact O-N 2.9Å; S62-Q65 VanDerWaalsContact O-O 3.12Å; Q65-Q144 CarbonylContact C-O 3.56Å; Q65-Q144 VanDerWaalsContact CA-O 3.3Å; Q65-Q144 WeakPolarHBondContact CA-O 3.37Å; Q65-Q144 WeakPolarHBondContact CB-O 3.39Å
66	Y	95.1	Very high	94.1	Very high	41 Å²	41	56.4 Å²	56.4	16%	0.161	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	140.2	167.5	-68.9	-55.3	0	0	0	110.2	L59 Q60 T61 I136 A141 Q144	L59-Y66 HydrophobicContact CB-CD1 4.06Å; L59-Y66 HydrophobicContact CB-CG 4.24Å; L59-Y66 HydrophobicContact CD1-CD1 4.35Å; L59-Y66 HydrophobicContact CD1-CD2 4.01Å; L59-Y66 HydrophobicContact CD1-CG 3.83Å; Q60-Y66 WeakPolarHBondContact O-CA 3.38Å; T61-Y66 WeakPolarHBondContact OG1-CE1 3.13Å; Y66-I136 HydrophobicContact CD1-CD1 3.95Å; Y66-I136 HydrophobicContact CE1-CD1 3.3Å; Y66-I136 HydrophobicContact CE2-CD1 4.22Å; Y66-I136 VanDerWaalsContact CZ-CD1 3.49Å; Y66-A141 HydrophobicContact CD2-CB 3.54Å; Y66-A141 HydrophobicContact CE2-CB 3.77Å; Y66-A141 HydrophobicContact CG-CB 4.48Å; Y66-Q144 HydrophobicContact CD2-CB 3.57Å; Y66-Q144 HydrophobicContact CE2-CB 3.91Å; Y66-Q144 HydrophobicContact CE2-CG 4.45Å; Y66-Q144 HydrophobicContact CG-CB 4.45Å; Y66-Q144 VanDerWaalsContact CZ-OE1 3.24Å; Y66-Q144 PolarHBondContact N-O 3.27Å; Y66-Q144 PolarHBondContact OH-OE1 3.18Å
67	L	94.9	Very high	94	Very high	73 Å²	73	60.3 Å²	60.3	38%	0.382	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.6	169.7	-61.5	177	0	0	0	108.8	L59 Q60 P69	L59-L67 WeakPolarHBondContact CA-O 3.44Å; Q60-L67 PolarHBondContact N-O 3.23Å; Q60-L67 PolarHBondContact O-N 3.04Å; L67-P69 VanDerWaalsContact O-CD 3.26Å; L67-P69 WeakPolarHBondContact O-CD 3.4Å
68	A	95.3	Very high	93.8	Very high	13 Å²	13	67.3 Å²	67.3	11%	0.107	35%	0.345	C	S	.	.			trans	-94	102.4	173.7	0	0	0	0	0	108.7	Y50 L59 D149 L153	Y50-A68 HydrophobicContact CD1-CB 3.97Å; Y50-A68 HydrophobicContact CE1-CB 3.79Å; L59-A68 HydrophobicContact CD2-CB 4.17Å; A68-D149 HydrophobicContact CB-CB 4.48Å; A68-L153 HydrophobicContact CB-CD1 3.95Å; A68-L153 HydrophobicContact CB-CD2 4.36Å; A68-L153 HydrophobicContact CB-CG 4.46Å
69	P	95.5	Very high	93.5	Very high	18 Å²	18	67.4 Å²	67.4	12%	0.117	35%	0.346	C	S	.	.			trans	-63.3	143.9	178.7	28.6	-36.2	0	0	0	110.7	L58 Q60 L67	L58-P69 HydrophobicContact CD2-CG 3.56Å; L58-P69 HydrophobicContact CG-CG 3.89Å; L58-P69 WeakPolarHBondContact O-CD 3.47Å; Q60-P69 HydrophobicContact CG-CG 4.13Å; L67-P69 VanDerWaalsContact O-CD 3.26Å; L67-P69 WeakPolarHBondContact O-CD 3.4Å
70	R	95.8	Very high	93.2	Very high	135 Å²	135	67.4 Å²	67.4	51%	0.509	35%	0.346	S	S	.	.			trans	-107	137	174.9	-70.8	-176.3	-65.3	154.8	2.7	108.6	A48 Y50 E103	A48-R70 HydrophobicContact CB-CB 4.16Å; A48-R70 HydrophobicContact CB-CG 4.41Å; Y50-R70 HydrophobicContact CE1-CG 3.84Å; Y50-R70 HydrophobicContact CE2-CG 4.05Å; Y50-R70 WeakPolarHBondContact OH-CD 3.43Å; Y50-R70 WeakPolarHBondContact OH-CG 3.43Å; R70-E103 IonicContact NH1-OE2 3.37Å; R70-E103 PolarHBondContact NH1-OE2 3.26Å
71	H	96.6	Very high	92.9	Very high	21 Å²	21	66.9 Å²	66.9	10%	0.097	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-116.8	138.8	178.1	-60.2	-79	0	0	0	110.6	A48 F49 L51 E75	A48-H71 CarbonylContact C-O 3.53Å; A48-H71 WeakPolarHBondContact CA-O 3.44Å; F49-H71 PolarHBondContact N-O 2.75Å; F49-H71 PolarHBondContact O-N 2.8Å; L51-H71 VanDerWaalsContact CD1-CD2 3.48Å; L51-H71 WeakPolarHBondContact CD1-CD2 3.49Å; H71-E75 HydrophobicContact CB-CB 4.49Å
72	S	96.9	Very high	92.8	Very high	49 Å²	49	67.6 Å²	67.6	34%	0.343	35%	0.353	S	S	.	.			trans	-73.1	165.2	167.7	60.9	0	0	0	0	111.2	L74 E75 L76	S72-L74 VanDerWaalsContact C-N 3.34Å; S72-L74 PolarHBondContact O-N 2.86Å; S72-E75 PolarHBondContact N-OE2 2.82Å; S72-E75 PolarHBondContact O-N 3.13Å; S72-E75 VanDerWaalsContact OG-CD 3.29Å; S72-E75 VanDerWaalsContact OG-CG 3.28Å; S72-E75 WeakPolarHBondContact OG-CG 3.48Å; S72-E75 PolarHBondContact OG-N 2.81Å; S72-E75 PolarHBondContact OG-OE2 3.46Å; S72-L76 WeakPolarHBondContact O-CB 3.46Å; S72-L76 PolarHBondContact O-N 2.83Å
73	L	95.6	Very high	92.7	Very high	11 Å²	11	65.7 Å²	65.7	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-57.5	-45.6	175.8	-177.2	64.4	0	0	0	112.2	F49 E75 L76 E77 I90	F49-L73 HydrophobicContact CE2-CB 4.16Å; F49-L73 HydrophobicContact CE2-CD1 4.05Å; F49-L73 HydrophobicContact CZ-CD1 4.08Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 3.39Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 3.45Å; L73-L76 VanDerWaalsContact O-N 3.1Å; L73-E77 HydrophobicContact CD1-CG 4.35Å; L73-E77 HydrophobicContact CG-CG 4.37Å; L73-E77 WeakPolarHBondContact O-CG 3.41Å; L73-E77 PolarHBondContact O-N 2.93Å; L73-I90 HydrophobicContact CD1-CD1 3.5Å; L73-I90 HydrophobicContact CD1-CG1 4.11Å; L73-I90 HydrophobicContact CD1-CG2 3.9Å
74	L	95.1	Very high	92.6	Very high	133 Å²	133	64.8 Å²	64.8	70%	0.696	34%	0.336	S	S	*	.	H	α-helix	trans	-60.3	-42	180	-178.5	70	0	0	0	112.2	S72 L76 R78	S72-L74 VanDerWaalsContact C-N 3.34Å; S72-L74 PolarHBondContact O-N 2.86Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-R78 WeakPolarHBondContact O-CB 3.31Å; L74-R78 PolarHBondContact O-N 2.9Å; L74-R78 VanDerWaalsContact O-N 3.12Å
75	E	95.1	Very high	92.5	Very high	78 Å²	78	58.3 Å²	58.3	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-40.6	175.8	-71.6	166.6	144.2	0	0	111.2	H71 S72 L73 R78 L79	H71-E75 HydrophobicContact CB-CB 4.49Å; S72-E75 PolarHBondContact N-OE2 2.82Å; S72-E75 PolarHBondContact O-N 3.13Å; S72-E75 VanDerWaalsContact OG-CD 3.29Å; S72-E75 VanDerWaalsContact OG-CG 3.28Å; S72-E75 WeakPolarHBondContact OG-CG 3.48Å; S72-E75 PolarHBondContact OG-N 2.81Å; S72-E75 PolarHBondContact OG-OE2 3.46Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 3.39Å; E75-R78 PolarHBondContact O-N 3.19Å; E75-L79 WeakPolarHBondContact O-CB 3.29Å; E75-L79 WeakPolarHBondContact O-CD1 3.42Å; E75-L79 WeakPolarHBondContact O-CG 3.38Å; E75-L79 PolarHBondContact O-N 3.47Å
76	L	94.3	Very high	92.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-47.3	177.9	-177.5	54.9	0	0	0	112	F49 L51 S72 L73 L74 R78 L79 L80 I90 L108	F49-L76 HydrophobicContact CB-CD2 3.98Å; F49-L76 HydrophobicContact CD1-CD2 3.55Å; F49-L76 HydrophobicContact CD2-CD2 4.02Å; F49-L76 HydrophobicContact CE1-CD2 4Å; F49-L76 HydrophobicContact CE2-CD2 4.43Å; F49-L76 HydrophobicContact CG-CD2 3.57Å; F49-L76 HydrophobicContact CZ-CD2 4.42Å; L51-L76 HydrophobicContact CD2-CD1 3.7Å; S72-L76 WeakPolarHBondContact O-CB 3.46Å; S72-L76 PolarHBondContact O-N 2.83Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 3.45Å; L73-L76 VanDerWaalsContact O-N 3.1Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L76-R78 VanDerWaalsContact C-N 3.3Å; L76-R78 PolarHBondContact O-N 3.31Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 3.04Å; L76-L79 VanDerWaalsContact O-N 3.11Å; L76-L80 HydrophobicContact CD1-CD1 4.41Å; L76-L80 HydrophobicContact CD1-CG 4.2Å; L76-L80 HydrophobicContact CG-CD1 4.16Å; L76-L80 HydrophobicContact CG-CG 4.41Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 2.99Å; L76-I90 HydrophobicContact CD2-CG1 4.08Å; L76-I90 HydrophobicContact CG-CG1 4.44Å; L76-L108 HydrophobicContact CD1-CD2 4.16Å; L76-L108 HydrophobicContact CD2-CD2 3.98Å
77	E	94.1	Very high	91.7	Very high	84 Å²	84	57.6 Å²	57.6	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-58.6	-42.9	176.1	-71.7	176.8	158.6	0	0	111.7	L73 L79 L80 G81 I90	L73-E77 HydrophobicContact CD1-CG 4.35Å; L73-E77 HydrophobicContact CG-CG 4.37Å; L73-E77 WeakPolarHBondContact O-CG 3.41Å; L73-E77 PolarHBondContact O-N 2.93Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.5Å; E77-L80 PolarHBondContact O-N 3.37Å; E77-G81 PolarHBondContact O-N 3.08Å; E77-I90 HydrophobicContact CG-CD1 3.62Å
78	R	93.5	Very high	91.2	Very high	147 Å²	147	60.7 Å²	60.7	56%	0.555	33%	0.328	S	S	*	.	H	α-helix	trans	-61.4	-41.8	174.8	-174.4	-173.8	67.8	173.7	-1.9	111.8	L74 E75 L76 K82	L74-R78 WeakPolarHBondContact O-CB 3.31Å; L74-R78 PolarHBondContact O-N 2.9Å; L74-R78 VanDerWaalsContact O-N 3.12Å; E75-R78 PolarHBondContact O-N 3.19Å; L76-R78 VanDerWaalsContact C-N 3.3Å; L76-R78 PolarHBondContact O-N 3.31Å; R78-K82 WeakPolarHBondContact O-CG 3.33Å; R78-K82 PolarHBondContact O-N 3.36Å
79	L	91.9	Very high	90.9	Very high	6 Å²	6	61.2 Å²	61.2	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-66.8	-46.1	177.9	-73.1	164.4	0	0	0	111.3	L51 E75 L76 E77 G81 K82 F83 E130 L131	L51-L79 HydrophobicContact CD1-CD1 4.25Å; E75-L79 WeakPolarHBondContact O-CB 3.29Å; E75-L79 WeakPolarHBondContact O-CD1 3.42Å; E75-L79 WeakPolarHBondContact O-CG 3.38Å; E75-L79 PolarHBondContact O-N 3.47Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 3.04Å; L76-L79 VanDerWaalsContact O-N 3.11Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.5Å; L79-G81 VanDerWaalsContact C-N 3.33Å; L79-G81 PolarHBondContact O-N 3.38Å; L79-K82 WeakPolarHBondContact O-CB 3.38Å; L79-K82 PolarHBondContact O-N 2.82Å; L79-K82 VanDerWaalsContact O-N 3.15Å; L79-F83 HydrophobicContact CB-CD2 4.44Å; L79-F83 HydrophobicContact CB-CE2 3.96Å; L79-F83 HydrophobicContact CD2-CE2 4.26Å; L79-F83 HydrophobicContact CD2-CZ 4.06Å; L79-F83 WeakPolarHBondContact O-CD2 3.48Å; L79-F83 WeakPolarHBondContact O-CG 3.3Å; L79-F83 PolarHBondContact O-N 3.4Å; L79-E130 HydrophobicContact CD2-CG 3.6Å; L79-L131 HydrophobicContact CD1-CD2 3.6Å; L79-L131 HydrophobicContact CD2-CD2 3.91Å; L79-L131 HydrophobicContact CG-CD2 4.4Å
80	L	90.3	Very high	90.7	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-58.1	-45.7	175.8	-69.3	173.5	0	0	0	111.1	L76 E77 K82 F83 G84 Q85 R89 I90 L110	L76-L80 HydrophobicContact CD1-CD1 4.41Å; L76-L80 HydrophobicContact CD1-CG 4.2Å; L76-L80 HydrophobicContact CG-CD1 4.16Å; L76-L80 HydrophobicContact CG-CG 4.41Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 2.99Å; E77-L80 PolarHBondContact O-N 3.37Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 PolarHBondContact O-N 3.09Å; L80-F83 CarbonylContact O-C 3.6Å; L80-F83 PolarHBondContact O-N 2.76Å; L80-F83 VanDerWaalsContact O-N 3.09Å; L80-G84 PolarHBondContact O-N 3Å; L80-Q85 CarbonylContact C-O 3.55Å; L80-Q85 HydrophobicContact CB-CB 4.26Å; L80-Q85 HydrophobicContact CD2-CB 3.87Å; L80-Q85 PolarHBondContact O-N 2.77Å; L80-R89 HydrophobicContact CD1-CB 4.33Å; L80-R89 HydrophobicContact CD2-CB 4.35Å; L80-I90 HydrophobicContact CD1-CD1 4.21Å; L80-I90 HydrophobicContact CD1-CG1 3.85Å; L80-L110 HydrophobicContact CD2-CD2 3.79Å
81	G	89.1	Confident	90.4	Very high	55 Å²	55	59.8 Å²	59.8	57%	0.567	33%	0.325	S	S	*	.	H	α-helix	trans	-60.3	-39.8	175.3	0	0	0	0	0	113.3	E77 L79 F83 G84	E77-G81 PolarHBondContact O-N 3.08Å; L79-G81 VanDerWaalsContact C-N 3.33Å; L79-G81 PolarHBondContact O-N 3.38Å; G81-F83 VanDerWaalsContact C-N 3.32Å; G81-F83 PolarHBondContact O-N 2.93Å; G81-G84 PolarHBondContact O-N 3.02Å
82	K	88.7	Confident	90.1	Very high	115 Å²	115	61.1 Å²	61.1	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-35.8	173.4	-79.5	-174.9	170.4	-165.6	0	112.9	R78 L79 L80 G84 E130	R78-K82 WeakPolarHBondContact O-CG 3.33Å; R78-K82 PolarHBondContact O-N 3.36Å; L79-K82 WeakPolarHBondContact O-CB 3.38Å; L79-K82 PolarHBondContact O-N 2.82Å; L79-K82 VanDerWaalsContact O-N 3.15Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 PolarHBondContact O-N 3.09Å; K82-G84 PolarHBondContact O-N 3.44Å; K82-E130 HydrophobicContact CD-CG 4.28Å; K82-E130 IonicContact NZ-OE1 3.88Å; K82-E130 PolarHBondContact NZ-OE1 3.48Å; K82-E130 IonicContact NZ-OE2 2.83Å; K82-E130 PolarHBondContact NZ-OE2 2.98Å
83	F	86.4	Confident	90.1	Very high	24 Å²	24	58.8 Å²	58.8	11%	0.105	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	5.7	177.7	-54.9	-35.5	0	0	0	112.9	L79 L80 G81 Q85 L110 L122 M127 E130	L79-F83 HydrophobicContact CB-CD2 4.44Å; L79-F83 HydrophobicContact CB-CE2 3.96Å; L79-F83 HydrophobicContact CD2-CE2 4.26Å; L79-F83 HydrophobicContact CD2-CZ 4.06Å; L79-F83 WeakPolarHBondContact O-CD2 3.48Å; L79-F83 WeakPolarHBondContact O-CG 3.3Å; L79-F83 PolarHBondContact O-N 3.4Å; L80-F83 CarbonylContact O-C 3.6Å; L80-F83 PolarHBondContact O-N 2.76Å; L80-F83 VanDerWaalsContact O-N 3.09Å; G81-F83 VanDerWaalsContact C-N 3.32Å; G81-F83 PolarHBondContact O-N 2.93Å; F83-Q85 HydrophobicContact CB-CG 4.29Å; F83-Q85 PolarHBondContact O-N 3.15Å; F83-L110 HydrophobicContact CE2-CD1 4.26Å; F83-L122 HydrophobicContact CB-CD1 3.81Å; F83-L122 HydrophobicContact CB-CD2 4.08Å; F83-L122 HydrophobicContact CG-CD1 4.4Å; F83-L122 WeakPolarHBondContact O-CD2 3.18Å; F83-M127 HydrophobicContact CD1-CG 4.08Å; F83-M127 HydrophobicContact CD2-CE 4.09Å; F83-M127 HydrophobicContact CE1-CB 4.2Å; F83-M127 HydrophobicContact CE1-CG 3.79Å; F83-M127 HydrophobicContact CE2-CE 3.98Å; F83-M127 HydrophobicContact CE2-CG 4.27Å; F83-M127 HydrophobicContact CG-CG 4.46Å; F83-M127 HydrophobicContact CZ-CB 4.01Å; F83-M127 HydrophobicContact CZ-CE 4.48Å; F83-M127 HydrophobicContact CZ-CG 3.9Å; F83-E130 HydrophobicContact CE1-CB 4.33Å; F83-E130 HydrophobicContact CE1-CG 4.4Å; F83-E130 HydrophobicContact CZ-CB 4.38Å; F83-E130 HydrophobicContact CZ-CG 4.31Å
84	G	83.6	Confident	90.2	Very high	72 Å²	72	58.3 Å²	58.3	74%	0.742	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	23.3	-178.9	0	0	0	0	0	113.9	L80 G81 K82	L80-G84 PolarHBondContact O-N 3Å; G81-G84 PolarHBondContact O-N 3.02Å; K82-G84 PolarHBondContact O-N 3.44Å
85	Q	83.2	Confident	90.3	Very high	32 Å²	32	52.3 Å²	52.3	15%	0.15	28%	0.283	C	S	.	.			trans	-97.8	146.5	177.6	-64.5	-169	-16.3	0	0	111.1	L80 F83 L110 L122	L80-Q85 CarbonylContact C-O 3.55Å; L80-Q85 HydrophobicContact CB-CB 4.26Å; L80-Q85 HydrophobicContact CD2-CB 3.87Å; L80-Q85 PolarHBondContact O-N 2.77Å; F83-Q85 HydrophobicContact CB-CG 4.29Å; F83-Q85 PolarHBondContact O-N 3.15Å; Q85-L110 PolarHBondContact NE2-O 2.94Å; Q85-L110 VanDerWaalsContact NE2-O 3.13Å; Q85-L122 HydrophobicContact CG-CD1 4.17Å
86	D	85.1	Confident	90.4	Very high	95 Å²	95	49.5 Å²	49.5	51%	0.508	27%	0.27	S	S	.	.			trans	-68.2	142.8	175.7	-166.1	-20.8	0	0	0	110.9	Q88 R89	D86-Q88 HydrophobicContact CB-CB 4.41Å; D86-Q88 PolarHBondContact O-N 2.91Å; D86-Q88 PolarHBondContact OD1-N 2.88Å; D86-R89 VanDerWaalsContact O-CB 3.29Å; D86-R89 WeakPolarHBondContact O-CB 3.41Å; D86-R89 VanDerWaalsContact O-CG 3.31Å; D86-R89 WeakPolarHBondContact O-CG 3.18Å; D86-R89 PolarHBondContact O-N 3.11Å; D86-R89 VanDerWaalsContact O-N 3.11Å
87	A	83.9	Confident	90.5	Very high	47 Å²	47	49.9 Å²	49.9	39%	0.388	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-59.5	-24.1	170.6	0	0	0	0	0	112.4	R89 I90	A87-R89 PolarHBondContact O-N 3.32Å; A87-I90 HydrophobicContact CB-CD1 4.5Å; A87-I90 WeakPolarHBondContact O-CB 3.04Å; A87-I90 WeakPolarHBondContact O-CD1 3.21Å; A87-I90 WeakPolarHBondContact O-CG1 3.12Å; A87-I90 PolarHBondContact O-N 3.07Å
88	Q	86.3	Confident	90.6	Very high	138 Å²	138	45.9 Å²	45.9	65%	0.645	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-54.9	-24.1	173.1	-69.5	-174.7	9.3	0	0	113.3	D86 I90 E91	D86-Q88 HydrophobicContact CB-CB 4.41Å; D86-Q88 PolarHBondContact O-N 2.91Å; D86-Q88 PolarHBondContact OD1-N 2.88Å; Q88-I90 PolarHBondContact O-N 2.83Å; Q88-E91 WeakPolarHBondContact O-CB 3.37Å; Q88-E91 PolarHBondContact O-N 3.13Å
89	R	87.4	Confident	90.6	Very high	24 Å²	24	39.5 Å²	39.5	9%	0.091	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.8	-18.9	174.8	-69.1	-152.6	67	171.6	-1.5	114.3	L80 D86 A87 E91 D92 L108 D109 L110 L112	L80-R89 HydrophobicContact CD1-CB 4.33Å; L80-R89 HydrophobicContact CD2-CB 4.35Å; D86-R89 VanDerWaalsContact O-CB 3.29Å; D86-R89 WeakPolarHBondContact O-CB 3.41Å; D86-R89 VanDerWaalsContact O-CG 3.31Å; D86-R89 WeakPolarHBondContact O-CG 3.18Å; D86-R89 PolarHBondContact O-N 3.11Å; D86-R89 VanDerWaalsContact O-N 3.11Å; A87-R89 PolarHBondContact O-N 3.32Å; R89-E91 PolarHBondContact O-N 3.26Å; R89-D92 VanDerWaalsContact O-CB 3.3Å; R89-D92 WeakPolarHBondContact O-CB 3.47Å; R89-D92 PolarHBondContact O-N 2.96Å; R89-L108 VanDerWaalsContact O-CD1 3.22Å; R89-L108 WeakPolarHBondContact O-CD1 3.26Å; R89-D109 PolarHBondContact NH2-O 2.68Å; R89-L110 PolarHBondContact NH1-O 3.28Å; R89-L112 PolarHBondContact NH2-O 2.87Å
90	I	90.9	Very high	90.4	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.082	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61.9	-32	173.6	-66.6	156.5	0	0	0	110.9	Q44 F49 L73 L76 E77 L80 A87 Q88 D92 S93	Q44-I90 PolarHBondContact NE2-O 3.16Å; F49-I90 HydrophobicContact CE1-CG2 4.1Å; F49-I90 HydrophobicContact CZ-CG2 4.07Å; L73-I90 HydrophobicContact CD1-CD1 3.5Å; L73-I90 HydrophobicContact CD1-CG1 4.11Å; L73-I90 HydrophobicContact CD1-CG2 3.9Å; L76-I90 HydrophobicContact CD2-CG1 4.08Å; L76-I90 HydrophobicContact CG-CG1 4.44Å; E77-I90 HydrophobicContact CG-CD1 3.62Å; L80-I90 HydrophobicContact CD1-CD1 4.21Å; L80-I90 HydrophobicContact CD1-CG1 3.85Å; A87-I90 HydrophobicContact CB-CD1 4.5Å; A87-I90 WeakPolarHBondContact O-CB 3.04Å; A87-I90 WeakPolarHBondContact O-CD1 3.21Å; A87-I90 WeakPolarHBondContact O-CG1 3.12Å; A87-I90 PolarHBondContact O-N 3.07Å; Q88-I90 PolarHBondContact O-N 2.83Å; I90-D92 PolarHBondContact O-N 3.1Å; I90-S93 VanDerWaalsContact O-CB 3.23Å; I90-S93 WeakPolarHBondContact O-CB 3.12Å; I90-S93 PolarHBondContact O-N 3.15Å; I90-S93 VanDerWaalsContact O-N 3.08Å; I90-S93 PolarHBondContact O-OG 3.02Å
91	E	89.8	Confident	90.3	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.5	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-66.3	-19.8	175.1	-60.2	-166.1	164	0	0	112.4	Q88 R89 S93 K178	Q88-E91 WeakPolarHBondContact O-CB 3.37Å; Q88-E91 PolarHBondContact O-N 3.13Å; R89-E91 PolarHBondContact O-N 3.26Å; E91-S93 PolarHBondContact O-N 2.83Å; E91-K178 WeakPolarHBondContact O-CE 3.42Å; E91-K178 PolarHBondContact O-NZ 3.17Å
92	D	91.8	Very high	90.3	Very high	50 Å²	50	54.8 Å²	54.8	27%	0.267	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-76.4	-11.8	174.6	-62.4	-45.3	0	0	0	113.2	R89 I90 L108 S114 K178	R89-D92 VanDerWaalsContact O-CB 3.3Å; R89-D92 WeakPolarHBondContact O-CB 3.47Å; R89-D92 PolarHBondContact O-N 2.96Å; I90-D92 PolarHBondContact O-N 3.1Å; D92-L108 HydrophobicContact CB-CD1 3.95Å; D92-S114 VanDerWaalsContact CG-OG 3.24Å; D92-S114 WeakPolarHBondContact OD1-CB 3.47Å; D92-S114 PolarHBondContact OD1-OG 2.88Å; D92-S114 WeakPolarHBondContact OD2-CB 3.34Å; D92-S114 PolarHBondContact OD2-OG 2.85Å; D92-K178 VanDerWaalsContact CA-NZ 3.29Å; D92-K178 PolarHBondContact O-NZ 3.25Å
93	S	96.4	Very high	90.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.28	C	S	.	.			trans	-62	156.1	175.7	69.6	0	0	0	0	112.9	Q44 I90 E91 A107 K178	Q44-S93 PolarHBondContact NE2-OG 2.56Å; Q44-S93 VanDerWaalsContact NE2-OG 3.09Å; I90-S93 VanDerWaalsContact O-CB 3.23Å; I90-S93 WeakPolarHBondContact O-CB 3.12Å; I90-S93 PolarHBondContact O-N 3.15Å; I90-S93 VanDerWaalsContact O-N 3.08Å; I90-S93 PolarHBondContact O-OG 3.02Å; E91-S93 PolarHBondContact O-N 2.83Å; S93-A107 CarbonylContact C-O 3.42Å; S93-A107 WeakPolarHBondContact CA-O 3.3Å; S93-A107 WeakPolarHBondContact CB-O 3.38Å; S93-K178 PolarHBondContact O-NZ 2.84Å
94	V	97.5	Very high	91.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.2	178.9	-60.3	0	0	0	0	110.1	I96 F106 A107 L159 L160 H163	V94-I96 HydrophobicContact CG2-CG2 3.98Å; V94-I96 PolarHBondContact O-N 2.96Å; V94-F106 CarbonylContact O-C 3.45Å; V94-F106 WeakPolarHBondContact O-CA 3.19Å; V94-A107 HydrophobicContact CG2-CB 3.94Å; V94-A107 PolarHBondContact N-O 3.17Å; V94-A107 PolarHBondContact O-N 3.27Å; V94-L159 HydrophobicContact CB-CB 4.45Å; V94-L159 HydrophobicContact CG2-CB 4.05Å; V94-L159 HydrophobicContact CG2-CD1 4.49Å; V94-L160 HydrophobicContact CG1-CD2 4.31Å; V94-L160 HydrophobicContact CG2-CD2 3.96Å; V94-L160 HydrophobicContact CG2-CG 4.09Å; V94-H163 VanDerWaalsContact CG1-CD2 3.46Å; V94-H163 WeakPolarHBondContact CG1-CD2 3.26Å
95	L	98.2	Very high	91.9	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.7	176.1	179.4	71.8	0	0	0	109.6	L30 L33 K34 A104 F106 A181	L30-L95 HydrophobicContact CD2-CD1 4.42Å; L30-L95 HydrophobicContact CD2-CD2 4.06Å; L30-L95 HydrophobicContact CD2-CG 4.32Å; L33-L95 HydrophobicContact CB-CD2 3.64Å; L33-L95 HydrophobicContact CD1-CD1 3.96Å; L33-L95 HydrophobicContact CD1-CD2 4.08Å; K34-L95 HydrophobicContact CG-CD2 4.08Å; L95-A104 HydrophobicContact CD1-CB 4Å; L95-F106 HydrophobicContact CB-CD1 4.15Å; L95-F106 HydrophobicContact CB-CE1 4.02Å; L95-F106 HydrophobicContact CD1-CD1 4.19Å; L95-F106 HydrophobicContact CD1-CE1 3.73Å; L95-F106 HydrophobicContact CD1-CZ 3.94Å; L95-F106 HydrophobicContact CG-CE1 4.47Å; L95-A181 HydrophobicContact CB-CB 4.05Å; L95-A181 WeakPolarHBondContact CB-O 3.34Å; L95-A181 HydrophobicContact CD2-CB 4.28Å; L95-A181 PolarHBondContact N-O 3.33Å
96	I	97.1	Very high	92.6	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.097	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-19.3	-175.1	58.5	170	0	0	0	113.2	Y50 V94 W105 A107 L152 A156 L159	Y50-I96 HydrophobicContact CD2-CD1 3.57Å; Y50-I96 HydrophobicContact CE2-CD1 4.07Å; Y50-I96 HydrophobicContact CG-CD1 4.22Å; V94-I96 HydrophobicContact CG2-CG2 3.98Å; V94-I96 PolarHBondContact O-N 2.96Å; I96-W105 HydrophobicContact CD1-CB 4.33Å; I96-W105 HydrophobicContact CG1-CB 3.91Å; I96-W105 WeakPolarHBondContact CG1-O 3.39Å; I96-W105 PolarHBondContact N-O 3.42Å; I96-A107 HydrophobicContact CD1-CB 4.19Å; I96-A107 HydrophobicContact CG2-CB 3.81Å; I96-L152 HydrophobicContact CB-CD1 4.03Å; I96-L152 HydrophobicContact CD1-CD1 3.69Å; I96-L152 HydrophobicContact CD1-CD2 4.08Å; I96-L152 HydrophobicContact CD1-CG 3.67Å; I96-L152 HydrophobicContact CG1-CD1 3.78Å; I96-L152 HydrophobicContact CG1-CG 4.34Å; I96-A156 HydrophobicContact CD1-CB 4.22Å; I96-A156 HydrophobicContact CG2-CB 3.72Å; I96-L159 HydrophobicContact CG2-CD1 4.39Å
97	G	95.7	Very high	93.2	Very high	8 Å²	8	42.2 Å²	42.2	8%	0.082	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-168.4	179.8	0	0	0	0	0	113	W105	G97-W105 PolarHBondContact N-O 3.35Å; G97-W105 PolarHBondContact O-N 3.1Å
98	C	95.6	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	161.5	173.6	62.4	0	0	0	0	112.2	K26 Y29 L30 E103 W105	K26-C98 WeakPolarHBondContact CE-O 3.38Å; K26-C98 WeakPolarHBondContact CG-SG 3.29Å; K26-C98 PolarHBondContact NZ-O 3.05Å; Y29-C98 HydrophobicContact CD1-CB 4.04Å; Y29-C98 HydrophobicContact CE1-CB 4.03Å; L30-C98 HydrophobicContact CD2-CB 4.01Å; L30-C98 HydrophobicContact CG-CB 4.48Å; L30-C98 WeakPolarHBondContact CG-SG 3.47Å; C98-E103 CarbonylContact C-O 3.41Å; C98-E103 WeakPolarHBondContact CA-O 3.47Å; C98-E103 WeakPolarHBondContact CB-O 3.24Å; C98-W105 VanDerWaalsContact C-CH2 3.42Å; C98-W105 WeakPolarHBondContact O-CH2 3.42Å; C98-W105 WeakPolarHBondContact O-CZ3 3.22Å
99	S	92.9	Very high	94.2	Very high	12 Å²	12	33.6 Å²	33.6	8%	0.084	16%	0.162	C	C	.	.			trans	-76.1	173.2	173.3	81.6	0	0	0	0	112.1	Q101 Q102 E103 W105	S99-Q101 PolarHBondContact O-N 2.92Å; S99-Q101 PolarHBondContact OG-N 2.84Å; S99-Q101 VanDerWaalsContact OG-N 3.11Å; S99-Q101 PolarHBondContact OG-OE1 3.09Å; S99-Q102 PolarHBondContact O-N 3.17Å; S99-Q102 PolarHBondContact OG-N 2.88Å; S99-E103 PolarHBondContact N-O 3.08Å; S99-E103 VanDerWaalsContact OG-CB 3.3Å; S99-E103 WeakPolarHBondContact OG-CB 3.47Å; S99-E103 PolarHBondContact OG-N 3.12Å; S99-W105 VanDerWaalsContact CA-CZ2 3.5Å
100	E	87.6	Confident	94.4	Very high	138 Å²	138	32.6 Å²	32.6	65%	0.645	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-25	171.7	-61.8	-170.3	151	0	0	112.1	Q102	E100-Q102 VanDerWaalsContact C-N 3.26Å; E100-Q102 PolarHBondContact O-N 2.74Å
101	Q	88.9	Confident	94.1	Very high	150 Å²	150	33.2 Å²	33.2	70%	0.701	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	15.2	177.7	-59	75.1	16.9	0	0	112.6	S99 E103	S99-Q101 PolarHBondContact O-N 2.92Å; S99-Q101 PolarHBondContact OG-N 2.84Å; S99-Q101 VanDerWaalsContact OG-N 3.11Å; S99-Q101 PolarHBondContact OG-OE1 3.09Å; Q101-E103 VanDerWaalsContact C-N 3.29Å; Q101-E103 PolarHBondContact O-N 2.67Å
102	Q	90.4	Very high	93.7	Very high	96 Å²	96	29.7 Å²	29.7	45%	0.449	15%	0.153	S	C	.	.			trans	61.9	29.3	-179.4	-56.7	179.5	-42.1	0	0	114.6	Y29 S99 E100 A104	Y29-Q102 HydrophobicContact CD1-CB 3.87Å; Y29-Q102 HydrophobicContact CD1-CG 4.06Å; Y29-Q102 HydrophobicContact CD2-CB 4.4Å; Y29-Q102 HydrophobicContact CD2-CG 4.43Å; Y29-Q102 HydrophobicContact CE1-CB 3.76Å; Y29-Q102 HydrophobicContact CE1-CG 4.46Å; Y29-Q102 VanDerWaalsContact CE1-O 3.26Å; Y29-Q102 WeakPolarHBondContact CE1-O 3.39Å; Y29-Q102 HydrophobicContact CE2-CB 4.3Å; Y29-Q102 HydrophobicContact CG-CB 4.21Å; Y29-Q102 HydrophobicContact CG-CG 4.06Å; Y29-Q102 PolarHBondContact OH-O 3.41Å; Y29-Q102 VanDerWaalsContact OH-O 3.09Å; S99-Q102 PolarHBondContact O-N 3.17Å; S99-Q102 PolarHBondContact OG-N 2.88Å; E100-Q102 VanDerWaalsContact C-N 3.26Å; E100-Q102 PolarHBondContact O-N 2.74Å; Q102-A104 PolarHBondContact O-N 3.42Å
103	E	95	Very high	92.6	Very high	64 Å²	64	31.6 Å²	31.6	30%	0.299	16%	0.163	S	C	.	.			trans	-77.7	116.6	164.3	-178.6	-169.6	-113.1	0	0	108.4	R70 C98 S99 Q101 W105	R70-E103 IonicContact NH1-OE2 3.37Å; R70-E103 PolarHBondContact NH1-OE2 3.26Å; C98-E103 CarbonylContact C-O 3.41Å; C98-E103 WeakPolarHBondContact CA-O 3.47Å; C98-E103 WeakPolarHBondContact CB-O 3.24Å; S99-E103 PolarHBondContact N-O 3.08Å; S99-E103 VanDerWaalsContact OG-CB 3.3Å; S99-E103 WeakPolarHBondContact OG-CB 3.47Å; S99-E103 PolarHBondContact OG-N 3.12Å; Q101-E103 VanDerWaalsContact C-N 3.29Å; Q101-E103 PolarHBondContact O-N 2.67Å; E103-W105 PolarHBondContact OE2-NE1 2.77Å
104	A	97.4	Very high	90.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	143.3	176.4	0	0	0	0	0	111.6	Y29 L33 A43 G47 A48 L95 Q102 F106	Y29-A104 HydrophobicContact CE1-CB 4.47Å; L33-A104 HydrophobicContact CD1-CB 3.77Å; A43-A104 HydrophobicContact CB-CB 3.9Å; G47-A104 CarbonylContact C-O 3.59Å; G47-A104 WeakPolarHBondContact CA-O 3.25Å; A48-A104 PolarHBondContact N-O 2.93Å; L95-A104 HydrophobicContact CD1-CB 4Å; Q102-A104 PolarHBondContact O-N 3.42Å; A104-F106 HydrophobicContact CB-CD2 4.45Å; A104-F106 HydrophobicContact CB-CE2 3.54Å; A104-F106 HydrophobicContact CB-CZ 3.79Å
105	W	98	Very high	88.4	Confident	9 Å²	9	37.6 Å²	37.6	3%	0.034	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.5	175.8	-58.1	-28.3	0	0	0	110.4	A48 Y50 I96 G97 C98 S99 E103 L152	A48-W105 CarbonylContact O-C 3.52Å; A48-W105 WeakPolarHBondContact O-CA 3.41Å; Y50-W105 HydrophobicContact CD2-CB 4.49Å; Y50-W105 HydrophobicContact CE2-CB 3.99Å; Y50-W105 HydrophobicContact CE2-CG 4.12Å; I96-W105 HydrophobicContact CD1-CB 4.33Å; I96-W105 HydrophobicContact CG1-CB 3.91Å; I96-W105 WeakPolarHBondContact CG1-O 3.39Å; I96-W105 PolarHBondContact N-O 3.42Å; G97-W105 PolarHBondContact N-O 3.35Å; G97-W105 PolarHBondContact O-N 3.1Å; C98-W105 VanDerWaalsContact C-CH2 3.42Å; C98-W105 WeakPolarHBondContact O-CH2 3.42Å; C98-W105 WeakPolarHBondContact O-CZ3 3.22Å; S99-W105 VanDerWaalsContact CA-CZ2 3.5Å; E103-W105 PolarHBondContact OE2-NE1 2.77Å; W105-L152 HydrophobicContact CD2-CD2 4.48Å; W105-L152 HydrophobicContact CE3-CD1 3.94Å; W105-L152 HydrophobicContact CE3-CD2 3.8Å; W105-L152 HydrophobicContact CZ3-CD1 4.49Å; W105-L152 HydrophobicContact CZ3-CD2 4.37Å
106	F	98.3	Very high	86	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154	-177.9	-59.2	-88.5	0	0	0	110.6	A43 Q44 A48 F49 Y50 V94 L95 A104	A43-F106 HydrophobicContact CB-CZ 4.28Å; Q44-F106 HydrophobicContact CB-CE2 4.42Å; Q44-F106 HydrophobicContact CB-CZ 4.39Å; Q44-F106 HydrophobicContact CG-CD1 4.22Å; Q44-F106 HydrophobicContact CG-CD2 4.39Å; Q44-F106 HydrophobicContact CG-CE1 3.7Å; Q44-F106 HydrophobicContact CG-CE2 3.9Å; Q44-F106 HydrophobicContact CG-CZ 3.53Å; A48-F106 PolarHBondContact O-N 2.91Å; F49-F106 CarbonylContact C-O 3.59Å; F49-F106 WeakPolarHBondContact CA-O 3.43Å; F49-F106 HydrophobicContact CD1-CB 3.64Å; F49-F106 HydrophobicContact CD1-CG 4.43Å; F49-F106 HydrophobicContact CE1-CB 3.71Å; F49-F106 HydrophobicContact CE1-CD2 4.17Å; F49-F106 HydrophobicContact CE1-CG 4.05Å; F49-F106 HydrophobicContact CG-CB 4.4Å; F49-F106 HydrophobicContact CZ-CD2 4.17Å; F49-F106 HydrophobicContact CZ-CG 4.49Å; Y50-F106 PolarHBondContact N-O 3.05Å; V94-F106 CarbonylContact O-C 3.45Å; V94-F106 WeakPolarHBondContact O-CA 3.19Å; L95-F106 HydrophobicContact CB-CD1 4.15Å; L95-F106 HydrophobicContact CB-CE1 4.02Å; L95-F106 HydrophobicContact CD1-CD1 4.19Å; L95-F106 HydrophobicContact CD1-CE1 3.73Å; L95-F106 HydrophobicContact CD1-CZ 3.94Å; L95-F106 HydrophobicContact CG-CE1 4.47Å; A104-F106 HydrophobicContact CB-CD2 4.45Å; A104-F106 HydrophobicContact CB-CE2 3.54Å; A104-F106 HydrophobicContact CB-CZ 3.79Å
107	A	98.1	Very high	83.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.6	168.6	0	0	0	0	0	110.2	Y50 F52 S93 V94 I96 A156 L160	Y50-A107 CarbonylContact O-C 3.55Å; Y50-A107 VanDerWaalsContact O-CA 3.31Å; Y50-A107 WeakPolarHBondContact O-CA 3.41Å; F52-A107 HydrophobicContact CD2-CB 4.14Å; F52-A107 HydrophobicContact CE2-CB 3.87Å; S93-A107 CarbonylContact C-O 3.42Å; S93-A107 WeakPolarHBondContact CA-O 3.3Å; S93-A107 WeakPolarHBondContact CB-O 3.38Å; V94-A107 HydrophobicContact CG2-CB 3.94Å; V94-A107 PolarHBondContact N-O 3.17Å; V94-A107 PolarHBondContact O-N 3.27Å; I96-A107 HydrophobicContact CD1-CB 4.19Å; I96-A107 HydrophobicContact CG2-CB 3.81Å; A107-A156 HydrophobicContact CB-CB 3.58Å; A107-L160 HydrophobicContact CB-CD1 4.14Å
108	L	96.3	Very high	80.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.2	175.6	178.3	63.4	0	0	0	109.1	Y50 L51 F52 L76 R89 D92 L110	Y50-L108 PolarHBondContact O-N 3.23Å; L51-L108 CarbonylContact C-O 3.44Å; L51-L108 WeakPolarHBondContact CA-O 3.38Å; L51-L108 HydrophobicContact CD2-CB 4.4Å; F52-L108 PolarHBondContact N-O 3.27Å; L76-L108 HydrophobicContact CD1-CD2 4.16Å; L76-L108 HydrophobicContact CD2-CD2 3.98Å; R89-L108 VanDerWaalsContact O-CD1 3.22Å; R89-L108 WeakPolarHBondContact O-CD1 3.26Å; D92-L108 HydrophobicContact CB-CD1 3.95Å; L108-L110 HydrophobicContact CD2-CD2 3.9Å; L108-L110 HydrophobicContact CG-CD2 4.21Å
109	D	94.8	Very high	78.4	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.3	169.5	-159.6	-53.8	0	0	0	109.7	F52 H53 S54 L55 R89 G111 L112 L160	F52-D109 HydrophobicContact CB-CB 3.96Å; F52-D109 WeakPolarHBondContact CB-OD2 3.35Å; F52-D109 CarbonylContact O-C 3.55Å; F52-D109 WeakPolarHBondContact O-CA 3.3Å; H53-D109 VanDerWaalsContact CA-OD1 3.29Å; H53-D109 WeakPolarHBondContact CA-OD1 2.75Å; S54-D109 PolarHBondContact N-OD1 2.84Å; S54-D109 PolarHBondContact N-OD2 3.35Å; L55-D109 WeakPolarHBondContact CA-OD2 3.31Å; L55-D109 PolarHBondContact N-OD2 3.46Å; R89-D109 PolarHBondContact NH2-O 2.68Å; D109-G111 VanDerWaalsContact C-N 3.29Å; D109-G111 WeakPolarHBondContact OD1-CA 3.31Å; D109-G111 PolarHBondContact OD1-N 2.94Å; D109-L112 HydrophobicContact CB-CB 4.15Å; D109-L112 HydrophobicContact CB-CD1 3.71Å; D109-L112 HydrophobicContact CB-CG 3.82Å; D109-L112 PolarHBondContact OD1-N 3.28Å; D109-L160 HydrophobicContact CB-CD1 4.17Å; D109-L160 HydrophobicContact CB-CD2 4.16Å
110	L	91.1	Very high	76.1	Confident	3 Å²	3	64 Å²	64	2%	0.016	36%	0.355	C	S	.	.	S	Bend	trans	-77.9	-17.1	-177.8	-61.2	175.6	0	0	0	112.5	L51 F52 L80 F83 Q85 R89 L108 M127	L51-L110 HydrophobicContact CB-CD1 4.39Å; L51-L110 HydrophobicContact CD1-CD1 4.26Å; L51-L110 HydrophobicContact CD2-CD1 4.45Å; F52-L110 PolarHBondContact O-N 3.4Å; L80-L110 HydrophobicContact CD2-CD2 3.79Å; F83-L110 HydrophobicContact CE2-CD1 4.26Å; Q85-L110 PolarHBondContact NE2-O 2.94Å; Q85-L110 VanDerWaalsContact NE2-O 3.13Å; R89-L110 PolarHBondContact NH1-O 3.28Å; L108-L110 HydrophobicContact CD2-CD2 3.9Å; L108-L110 HydrophobicContact CG-CD2 4.21Å; L110-M127 HydrophobicContact CB-CE 3.48Å; L110-M127 VanDerWaalsContact CB-CE 3.48Å; L110-M127 HydrophobicContact CD1-CE 3.23Å; L110-M127 HydrophobicContact CG-CE 3.97Å
111	G	85.8	Confident	74.6	Confident	28 Å²	28	63.2 Å²	63.2	29%	0.289	37%	0.365	S	S	.	.	S	Bend	trans	-104	-5.7	-177	0	0	0	0	0	114.8	D109	D109-G111 VanDerWaalsContact C-N 3.29Å; D109-G111 WeakPolarHBondContact OD1-CA 3.31Å; D109-G111 PolarHBondContact OD1-N 2.94Å
112	L	81.3	Confident	73.3	Confident	34 Å²	34	57.8 Å²	57.8	18%	0.178	34%	0.341	C	S	.	.	S	Bend	trans	-88.8	128.3	172	-65.5	178.3	0	0	0	109.8	L55 R89 D109 L160 D164	L55-L112 HydrophobicContact CD2-CD1 3.96Å; R89-L112 PolarHBondContact NH2-O 2.87Å; D109-L112 HydrophobicContact CB-CB 4.15Å; D109-L112 HydrophobicContact CB-CD1 3.71Å; D109-L112 HydrophobicContact CB-CG 3.82Å; D109-L112 PolarHBondContact OD1-N 3.28Å; L112-L160 HydrophobicContact CD1-CB 4.49Å; L112-D164 HydrophobicContact CD1-CB 4.17Å; L112-D164 HydrophobicContact CD2-CB 4.42Å
113	D	67.1	Low	72.5	Confident	90 Å²	90	59.3 Å²	59.3	48%	0.481	35%	0.347	S	S	.	.			trans	-84.9	119.4	177.4	-67.4	-30.2	0	0	0	110.6	S115	D113-S115 VanDerWaalsContact C-N 3.3Å; D113-S115 PolarHBondContact O-N 2.83Å; D113-S115 VanDerWaalsContact O-N 3.09Å
114	S	55.5	Low	71.9	Confident	41 Å²	41	60 Å²	60	29%	0.287	35%	0.349	S	S	.	.			trans	-81.9	79.1	168.6	51.2	0	0	0	0	109.3	D92	D92-S114 VanDerWaalsContact CG-OG 3.24Å; D92-S114 WeakPolarHBondContact OD1-CB 3.47Å; D92-S114 PolarHBondContact OD1-OG 2.88Å; D92-S114 WeakPolarHBondContact OD2-CB 3.34Å; D92-S114 PolarHBondContact OD2-OG 2.85Å
115	S	51.4	Low	71.4	Confident	86 Å²	86	63.7 Å²	63.7	60%	0.601	37%	0.373	S	S	*	.	S	Bend	trans	63.2	115.3	169.4	28.3	0	0	0	0	116.5	D113 S117	D113-S115 VanDerWaalsContact C-N 3.3Å; D113-S115 PolarHBondContact O-N 2.83Å; D113-S115 VanDerWaalsContact O-N 3.09Å; S115-S117 PolarHBondContact O-N 3.39Å
116	F	46.6	Very low	70.9	Confident	201 Å²	201	69.2 Å²	69.2	88%	0.882	40%	0.399	S	S	*	.	S	Bend	trans	70.1	6	160.3	-75.9	-85.1	0	0	0	119.7	I118	F116-I118 PolarHBondContact O-N 2.83Å
117	S	40.5	Very low	70.5	Confident	60 Å²	60	69.3 Å²	69.3	42%	0.42	40%	0.4	S	S	.	.			trans	-82.2	94.5	172.3	-39.5	0	0	0	0	111.1	S115 S119	S115-S117 PolarHBondContact O-N 3.39Å; S117-S119 PolarHBondContact O-N 3.41Å
118	I	43.7	Very low	70.3	Confident	174 Å²	174	71.2 Å²	71.2	89%	0.892	41%	0.409	S	S	*	.			trans	-74.8	47.5	171.5	-58.8	165.4	0	0	0	110.1	F116	F116-I118 PolarHBondContact O-N 2.83Å
119	S	44.8	Very low	70.1	Confident	85 Å²	85	76.5 Å²	76.5	59%	0.594	44%	0.441	S	S	*	.			trans	-141.1	115.2	-172.9	59.3	0	0	0	0	113.4	S117	S117-S119 PolarHBondContact O-N 3.41Å
120	A	46	Very low	69.9	Low	80 Å²	80	79.6 Å²	79.6	66%	0.661	46%	0.456	S	S	*	.			trans	60.5	90.8	163.4	0	0	0	0	0	115.2	L122	A120-L122 PolarHBondContact O-N 3.5Å
121	S	55.2	Low	70	Confident	122 Å²	122	79.9 Å²	79.9	85%	0.853	46%	0.457	S	S	*	.			trans	-52.5	95.7	148.2	-55.9	0	0	0	0	107.7	H123	S121-H123 PolarHBondContact O-N 3.48Å
122	L	60.8	Low	70.4	Confident	36 Å²	36	86.9 Å²	86.9	19%	0.188	48%	0.479	C	S	.	.			trans	-57.1	136.9	177.8	-76	167.7	0	0	0	108.9	F83 Q85 A120 K124 M127	F83-L122 HydrophobicContact CB-CD1 3.81Å; F83-L122 HydrophobicContact CB-CD2 4.08Å; F83-L122 HydrophobicContact CG-CD1 4.4Å; F83-L122 WeakPolarHBondContact O-CD2 3.18Å; Q85-L122 HydrophobicContact CG-CD1 4.17Å; A120-L122 PolarHBondContact O-N 3.5Å; L122-K124 PolarHBondContact O-N 2.89Å; L122-M127 HydrophobicContact CB-SD 3.79Å; L122-M127 HydrophobicContact CD1-CE 4.32Å; L122-M127 HydrophobicContact CD1-SD 4Å
123	H	73.8	Confident	71	Confident	128 Å²	128	85.8 Å²	85.8	59%	0.593	48%	0.476	S	S	*	.			trans	-72	98.9	173.9	-72.9	-67	0	0	0	108.4	S121 P125 E126	S121-H123 PolarHBondContact O-N 3.48Å; H123-P125 HydrophobicContact CB-CG 4.15Å; H123-P125 WeakPolarHBondContact O-CD 3.23Å; H123-E126 HydrophobicContact CB-CG 4.21Å; H123-E126 WeakPolarHBondContact O-CB 3.42Å; H123-E126 PolarHBondContact O-N 2.96Å
124	K	83.7	Confident	72.4	Confident	79 Å²	79	84 Å²	84	34%	0.343	47%	0.471	S	S	.	.	H	α-helix	trans	-27.2	-48.7	166.9	179	175	172.3	165.5	0	115.1	L122 E126 M127 E128 F135	L122-K124 PolarHBondContact O-N 2.89Å; K124-E126 VanDerWaalsContact C-N 3.34Å; K124-E126 PolarHBondContact O-N 3.42Å; K124-M127 PolarHBondContact O-N 2.87Å; K124-E128 WeakPolarHBondContact CE-OE1 3.29Å; K124-E128 HydrophobicContact CG-CG 4.33Å; K124-E128 IonicContact NZ-OE1 3.08Å; K124-E128 WeakPolarHBondContact O-CG 3.19Å; K124-E128 PolarHBondContact O-N 3.37Å; K124-F135 HydrophobicContact CG-CD2 4.16Å; K124-F135 PolarHBondContact NZ-O 3.4Å
125	P	87	Confident	74.3	Confident	77 Å²	77	82.3 Å²	82.3	50%	0.5	46%	0.459	S	S	.	.	H	α-helix	trans	-61.6	-33.7	-179.7	23.1	-36.9	0	0	0	115.2	H123 T129	H123-P125 HydrophobicContact CB-CG 4.15Å; H123-P125 WeakPolarHBondContact O-CD 3.23Å; P125-T129 PolarHBondContact O-N 3.46Å; P125-T129 VanDerWaalsContact O-N 3.09Å; P125-T129 PolarHBondContact O-OG1 3Å
126	E	87.7	Confident	76.4	Confident	125 Å²	125	79.6 Å²	79.6	58%	0.584	44%	0.437	S	S	*	.	H	α-helix	trans	-68.1	-41.7	178.6	-63.7	178.1	175.5	0	0	110.5	H123 K124 T129 E130	H123-E126 HydrophobicContact CB-CG 4.21Å; H123-E126 WeakPolarHBondContact O-CB 3.42Å; H123-E126 PolarHBondContact O-N 2.96Å; K124-E126 VanDerWaalsContact C-N 3.34Å; K124-E126 PolarHBondContact O-N 3.42Å; E126-T129 PolarHBondContact O-N 3Å; E126-E130 PolarHBondContact O-N 2.89Å; E126-E130 VanDerWaalsContact O-N 3.1Å
127	M	89.1	Confident	78.7	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	42%	0.415	C	S	.	.	H	α-helix	trans	-64.4	-45.6	176.5	-60	173.7	74.4	0	0	111.6	F83 L110 L122 K124 T129 E130 L131 F135	F83-M127 HydrophobicContact CD1-CG 4.08Å; F83-M127 HydrophobicContact CD2-CE 4.09Å; F83-M127 HydrophobicContact CE1-CB 4.2Å; F83-M127 HydrophobicContact CE1-CG 3.79Å; F83-M127 HydrophobicContact CE2-CE 3.98Å; F83-M127 HydrophobicContact CE2-CG 4.27Å; F83-M127 HydrophobicContact CG-CG 4.46Å; F83-M127 HydrophobicContact CZ-CB 4.01Å; F83-M127 HydrophobicContact CZ-CE 4.48Å; F83-M127 HydrophobicContact CZ-CG 3.9Å; L110-M127 HydrophobicContact CB-CE 3.48Å; L110-M127 VanDerWaalsContact CB-CE 3.48Å; L110-M127 HydrophobicContact CD1-CE 3.23Å; L110-M127 HydrophobicContact CG-CE 3.97Å; L122-M127 HydrophobicContact CB-SD 3.79Å; L122-M127 HydrophobicContact CD1-CE 4.32Å; L122-M127 HydrophobicContact CD1-SD 4Å; K124-M127 PolarHBondContact O-N 2.87Å; M127-T129 VanDerWaalsContact C-N 3.26Å; M127-T129 PolarHBondContact O-N 3.39Å; M127-E130 PolarHBondContact O-N 3.39Å; M127-L131 HydrophobicContact CB-CD1 4.35Å; M127-L131 VanDerWaalsContact O-CB 3.25Å; M127-L131 WeakPolarHBondContact O-CB 3.36Å; M127-L131 WeakPolarHBondContact O-CD1 3.3Å; M127-L131 VanDerWaalsContact O-CG 3.23Å; M127-L131 WeakPolarHBondContact O-CG 3.48Å; M127-L131 PolarHBondContact O-N 2.74Å; M127-F135 HydrophobicContact CB-CE2 4.08Å; M127-F135 HydrophobicContact CE-CZ 4.34Å
128	E	93.3	Very high	81.2	Confident	41 Å²	41	71.9 Å²	71.9	19%	0.192	40%	0.397	C	S	.	.	H	α-helix	trans	-58.4	-39.6	176.9	-74.2	-175	159.3	0	0	112	K124 K132 G133 S134 F135	K124-E128 WeakPolarHBondContact CE-OE1 3.29Å; K124-E128 HydrophobicContact CG-CG 4.33Å; K124-E128 IonicContact NZ-OE1 3.08Å; K124-E128 WeakPolarHBondContact O-CG 3.19Å; K124-E128 PolarHBondContact O-N 3.37Å; E128-K132 PolarHBondContact O-N 3.39Å; E128-G133 CarbonylContact C-O 3.46Å; E128-G133 VanDerWaalsContact CA-O 3.22Å; E128-G133 WeakPolarHBondContact CA-O 3.42Å; E128-G133 WeakPolarHBondContact CB-O 3.34Å; E128-G133 WeakPolarHBondContact CG-O 3.15Å; E128-G133 PolarHBondContact O-N 3.02Å; E128-G133 VanDerWaalsContact O-N 3.14Å; E128-G133 VanDerWaalsContact O-O 3.07Å; E128-S134 WeakPolarHBondContact OE1-CA 3.43Å; E128-F135 HydrophobicContact CG-CD2 3.64Å; E128-F135 HydrophobicContact CG-CE2 4.02Å; E128-F135 PolarHBondContact OE1-N 3.31Å
129	T	92	Very high	83.4	Confident	112 Å²	112	74.1 Å²	74.1	69%	0.687	39%	0.394	S	S	*	.	H	α-helix	trans	-65.1	-48.3	177.4	-57.4	0	0	0	0	111.6	P125 E126 M127 L131 K132	P125-T129 PolarHBondContact O-N 3.46Å; P125-T129 VanDerWaalsContact O-N 3.09Å; P125-T129 PolarHBondContact O-OG1 3Å; E126-T129 PolarHBondContact O-N 3Å; M127-T129 VanDerWaalsContact C-N 3.26Å; M127-T129 PolarHBondContact O-N 3.39Å; T129-L131 PolarHBondContact O-N 3.29Å; T129-K132 PolarHBondContact O-N 3.04Å
130	E	91.8	Very high	85.6	Confident	69 Å²	69	77.9 Å²	77.9	32%	0.322	40%	0.4	S	S	.	.	H	α-helix	trans	-64.8	-39.6	178.9	178.7	64.5	-149.6	0	0	112	L79 K82 F83 E126 M127 K132	L79-E130 HydrophobicContact CD2-CG 3.6Å; K82-E130 HydrophobicContact CD-CG 4.28Å; K82-E130 IonicContact NZ-OE1 3.88Å; K82-E130 PolarHBondContact NZ-OE1 3.48Å; K82-E130 IonicContact NZ-OE2 2.83Å; K82-E130 PolarHBondContact NZ-OE2 2.98Å; F83-E130 HydrophobicContact CE1-CB 4.33Å; F83-E130 HydrophobicContact CE1-CG 4.4Å; F83-E130 HydrophobicContact CZ-CB 4.38Å; F83-E130 HydrophobicContact CZ-CG 4.31Å; E126-E130 PolarHBondContact O-N 2.89Å; E126-E130 VanDerWaalsContact O-N 3.1Å; M127-E130 PolarHBondContact O-N 3.39Å; E130-K132 VanDerWaalsContact C-N 3.28Å; E130-K132 PolarHBondContact O-N 3.46Å
131	L	92.9	Very high	87.8	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-80.8	-7	-178.9	-68.1	164.1	0	0	0	113.5	L51 L58 Q60 L79 M127 T129 G133 F135	L51-L131 HydrophobicContact CD1-CD1 4.33Å; L51-L131 HydrophobicContact CD1-CD2 3.71Å; L58-L131 HydrophobicContact CD1-CB 3.84Å; L58-L131 HydrophobicContact CD1-CD1 4.08Å; L58-L131 HydrophobicContact CD2-CB 3.84Å; L58-L131 HydrophobicContact CD2-CD1 3.97Å; L58-L131 HydrophobicContact CD2-CD2 3.97Å; L58-L131 HydrophobicContact CD2-CG 4.13Å; L58-L131 HydrophobicContact CG-CB 4.49Å; Q60-L131 PolarHBondContact NE2-O 3Å; L79-L131 HydrophobicContact CD1-CD2 3.6Å; L79-L131 HydrophobicContact CD2-CD2 3.91Å; L79-L131 HydrophobicContact CG-CD2 4.4Å; M127-L131 HydrophobicContact CB-CD1 4.35Å; M127-L131 VanDerWaalsContact O-CB 3.25Å; M127-L131 WeakPolarHBondContact O-CB 3.36Å; M127-L131 WeakPolarHBondContact O-CD1 3.3Å; M127-L131 VanDerWaalsContact O-CG 3.23Å; M127-L131 WeakPolarHBondContact O-CG 3.48Å; M127-L131 PolarHBondContact O-N 2.74Å; T129-L131 PolarHBondContact O-N 3.29Å; L131-G133 PolarHBondContact O-N 3.39Å; L131-F135 HydrophobicContact CD1-CE2 4.34Å; L131-F135 HydrophobicContact CD1-CZ 3.81Å
132	K	94.2	Very high	89.5	Confident	175 Å²	175	71.3 Å²	71.3	76%	0.761	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.5	-176.4	-56.2	178.1	-179.3	178.4	0	112	Q60 E128 T129 E130	Q60-K132 WeakPolarHBondContact CG-O 3.5Å; Q60-K132 PolarHBondContact NE2-O 3.41Å; E128-K132 PolarHBondContact O-N 3.39Å; T129-K132 PolarHBondContact O-N 3.04Å; E130-K132 VanDerWaalsContact C-N 3.28Å; E130-K132 PolarHBondContact O-N 3.46Å
133	G	94.9	Very high	90.9	Very high	11 Å²	11	78.9 Å²	78.9	11%	0.113	38%	0.375	C	S	.	.	S	Bend	trans	-159.2	177.4	-176	0	0	0	0	0	111.4	L59 E128 L131	L59-G133 WeakPolarHBondContact O-CA 3.46Å; E128-G133 CarbonylContact C-O 3.46Å; E128-G133 VanDerWaalsContact CA-O 3.22Å; E128-G133 WeakPolarHBondContact CA-O 3.42Å; E128-G133 WeakPolarHBondContact CB-O 3.34Å; E128-G133 WeakPolarHBondContact CG-O 3.15Å; E128-G133 PolarHBondContact O-N 3.02Å; E128-G133 VanDerWaalsContact O-N 3.14Å; E128-G133 VanDerWaalsContact O-O 3.07Å; L131-G133 PolarHBondContact O-N 3.39Å
134	S	95.6	Very high	91.8	Very high	52 Å²	52	76.8 Å²	76.8	36%	0.364	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.9	179.3	-59.6	0	0	0	0	111.1	L59 E128 I136	L59-S134 PolarHBondContact N-O 3.3Å; L59-S134 PolarHBondContact O-N 2.93Å; E128-S134 WeakPolarHBondContact OE1-CA 3.43Å; S134-I136 PolarHBondContact O-N 2.81Å
135	F	95.8	Very high	92.3	Very high	7 Å²	7	73.8 Å²	73.8	3%	0.031	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	108.5	170.8	-61.5	-79	0	0	0	109.2	H53 A56 P57 L58 K124 M127 E128 L131	H53-F135 HydrophobicContact CB-CB 4.35Å; H53-F135 HydrophobicContact CB-CD1 3.59Å; H53-F135 HydrophobicContact CB-CD2 3.82Å; H53-F135 HydrophobicContact CB-CE1 3.66Å; H53-F135 HydrophobicContact CB-CE2 3.89Å; H53-F135 HydrophobicContact CB-CG 3.66Å; H53-F135 HydrophobicContact CB-CZ 3.81Å; A56-F135 HydrophobicContact CB-CB 4.05Å; A56-F135 WeakPolarHBondContact O-CD1 3.46Å; P57-F135 WeakPolarHBondContact O-CA 3.39Å; L58-F135 HydrophobicContact CB-CD1 3.93Å; L58-F135 HydrophobicContact CB-CE1 3.7Å; L58-F135 HydrophobicContact CB-CZ 4.48Å; L58-F135 HydrophobicContact CD1-CD1 4.47Å; L58-F135 HydrophobicContact CD1-CE1 4.23Å; L58-F135 HydrophobicContact CD1-CZ 4.29Å; K124-F135 HydrophobicContact CG-CD2 4.16Å; K124-F135 PolarHBondContact NZ-O 3.4Å; M127-F135 HydrophobicContact CB-CE2 4.08Å; M127-F135 HydrophobicContact CE-CZ 4.34Å; E128-F135 HydrophobicContact CG-CD2 3.64Å; E128-F135 HydrophobicContact CG-CE2 4.02Å; E128-F135 PolarHBondContact OE1-N 3.31Å; L131-F135 HydrophobicContact CD1-CE2 4.34Å; L131-F135 HydrophobicContact CD1-CZ 3.81Å
136	I	94.8	Very high	92.6	Very high	29 Å²	29	73 Å²	73	15%	0.149	35%	0.345	C	S	.	.			trans	-114.9	133.3	-171.3	-56.1	177.6	0	0	0	109.4	P57 L59 Y66 S134 L138 K140 A141	P57-I136 VanDerWaalsContact CD-O 3.24Å; P57-I136 WeakPolarHBondContact CD-O 3.46Å; P57-I136 PolarHBondContact O-N 3.14Å; P57-I136 VanDerWaalsContact O-N 3.11Å; L59-I136 HydrophobicContact CB-CD1 4.15Å; L59-I136 HydrophobicContact CD1-CB 4.08Å; L59-I136 HydrophobicContact CD1-CD1 4.39Å; Y66-I136 HydrophobicContact CD1-CD1 3.95Å; Y66-I136 HydrophobicContact CE1-CD1 3.3Å; Y66-I136 HydrophobicContact CE2-CD1 4.22Å; Y66-I136 VanDerWaalsContact CZ-CD1 3.49Å; S134-I136 PolarHBondContact O-N 2.81Å; I136-L138 PolarHBondContact O-N 2.8Å; I136-L138 VanDerWaalsContact O-N 3.15Å; I136-K140 HydrophobicContact CG2-CB 4.47Å; I136-A141 HydrophobicContact CG2-CB 4.03Å
137	E	94.3	Very high	92.9	Very high	92 Å²	92	71.2 Å²	71.2	43%	0.43	35%	0.352	S	S	.	.			trans	-52	120.6	173.2	-72.4	-58.9	138.3	0	0	111.6	R139 K140 A141	E137-R139 PolarHBondContact O-N 2.85Å; E137-R139 VanDerWaalsContact O-N 3.1Å; E137-K140 HydrophobicContact CB-CB 4.42Å; E137-K140 HydrophobicContact CB-CD 4.04Å; E137-K140 HydrophobicContact CB-CG 4.02Å; E137-K140 WeakPolarHBondContact O-CA 3.38Å; E137-K140 WeakPolarHBondContact O-CB 3.49Å; E137-K140 PolarHBondContact O-N 3.01Å; E137-A141 PolarHBondContact O-N 3.47Å
138	L	93.2	Very high	93	Very high	6 Å²	6	78.2 Å²	78.2	3%	0.031	38%	0.379	C	S	.	.	H	α-helix	trans	-55.5	-37.5	-173.2	-177.9	61.7	0	0	0	112.4	P57 I136 K140 A141 L142 L145 L153 Q157	P57-L138 HydrophobicContact CG-CB 4.34Å; P57-L138 HydrophobicContact CG-CD1 4.21Å; I136-L138 PolarHBondContact O-N 2.8Å; I136-L138 VanDerWaalsContact O-N 3.15Å; L138-K140 VanDerWaalsContact C-N 3.26Å; L138-K140 PolarHBondContact O-N 3.24Å; L138-A141 PolarHBondContact O-N 3.28Å; L138-A141 VanDerWaalsContact O-N 3.16Å; L138-L142 HydrophobicContact CD1-CD1 4.44Å; L138-L142 WeakPolarHBondContact O-CA 3.2Å; L138-L142 WeakPolarHBondContact O-CB 3.26Å; L138-L142 PolarHBondContact O-N 2.92Å; L138-L145 HydrophobicContact CD1-CD1 3.78Å; L138-L153 HydrophobicContact CD1-CB 3.95Å; L138-L153 HydrophobicContact CD1-CD1 4.4Å; L138-L153 HydrophobicContact CD2-CB 4.45Å; L138-Q157 HydrophobicContact CD2-CB 4.23Å
139	R	90.3	Very high	93	Very high	222 Å²	222	77.2 Å²	77.2	84%	0.838	37%	0.374	S	S	*	.	H	α-helix	trans	-59.7	-34.7	176.3	-175.1	-179.8	-67	-179.8	-0.3	112.8	E137	E137-R139 PolarHBondContact O-N 2.85Å; E137-R139 VanDerWaalsContact O-N 3.1Å
140	K	90.4	Very high	93.1	Very high	164 Å²	164	72.4 Å²	72.4	71%	0.713	35%	0.346	S	S	*	.	H	α-helix	trans	-76.7	-35	178	-61.5	-177.8	-176.4	174.1	0	111.3	I136 E137 L138	I136-K140 HydrophobicContact CG2-CB 4.47Å; E137-K140 HydrophobicContact CB-CB 4.42Å; E137-K140 HydrophobicContact CB-CD 4.04Å; E137-K140 HydrophobicContact CB-CG 4.02Å; E137-K140 WeakPolarHBondContact O-CA 3.38Å; E137-K140 WeakPolarHBondContact O-CB 3.49Å; E137-K140 PolarHBondContact O-N 3.01Å; L138-K140 VanDerWaalsContact C-N 3.26Å; L138-K140 PolarHBondContact O-N 3.24Å
141	A	92.8	Very high	93.3	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-85.1	-18.4	-177.7	0	0	0	0	0	114.5	L59 Y66 I136 E137 L138 F143 Q144 L145	L59-A141 HydrophobicContact CD1-CB 3.36Å; Y66-A141 HydrophobicContact CD2-CB 3.54Å; Y66-A141 HydrophobicContact CE2-CB 3.77Å; Y66-A141 HydrophobicContact CG-CB 4.48Å; I136-A141 HydrophobicContact CG2-CB 4.03Å; E137-A141 PolarHBondContact O-N 3.47Å; L138-A141 PolarHBondContact O-N 3.28Å; L138-A141 VanDerWaalsContact O-N 3.16Å; A141-F143 VanDerWaalsContact C-N 3.3Å; A141-F143 PolarHBondContact O-N 2.9Å; A141-F143 VanDerWaalsContact O-N 3.12Å; A141-Q144 WeakPolarHBondContact O-CA 3.47Å; A141-Q144 PolarHBondContact O-N 3.18Å; A141-L145 HydrophobicContact CB-CD1 4.21Å; A141-L145 PolarHBondContact O-N 3.28Å
142	L	90.7	Very high	93.4	Very high	64 Å²	64	73 Å²	73	34%	0.335	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-52.2	-43	-165.5	-166.2	69.4	0	0	0	114.1	L138 Q144 A150	L138-L142 HydrophobicContact CD1-CD1 4.44Å; L138-L142 WeakPolarHBondContact O-CA 3.2Å; L138-L142 WeakPolarHBondContact O-CB 3.26Å; L138-L142 PolarHBondContact O-N 2.92Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-A150 HydrophobicContact CD1-CB 3.88Å
143	F	89.8	Confident	93.5	Very high	194 Å²	194	64.8 Å²	64.8	85%	0.851	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-81	-9.9	-178.7	-64.4	-69.9	0	0	0	114.3	A141	A141-F143 VanDerWaalsContact C-N 3.3Å; A141-F143 PolarHBondContact O-N 2.9Å; A141-F143 VanDerWaalsContact O-N 3.12Å
144	Q	93.6	Very high	93.6	Very high	85 Å²	85	66.6 Å²	66.6	40%	0.397	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-101.5	-3.9	176.2	-67.1	179	-2.3	0	0	111.9	Q65 Y66 A141 L142	Q65-Q144 CarbonylContact C-O 3.56Å; Q65-Q144 VanDerWaalsContact CA-O 3.3Å; Q65-Q144 WeakPolarHBondContact CA-O 3.37Å; Q65-Q144 WeakPolarHBondContact CB-O 3.39Å; Y66-Q144 HydrophobicContact CD2-CB 3.57Å; Y66-Q144 HydrophobicContact CE2-CB 3.91Å; Y66-Q144 HydrophobicContact CE2-CG 4.45Å; Y66-Q144 HydrophobicContact CG-CB 4.45Å; Y66-Q144 VanDerWaalsContact CZ-OE1 3.24Å; Y66-Q144 PolarHBondContact N-O 3.27Å; Y66-Q144 PolarHBondContact OH-OE1 3.18Å; A141-Q144 WeakPolarHBondContact O-CA 3.47Å; A141-Q144 PolarHBondContact O-N 3.18Å; L142-Q144 VanDerWaalsContact C-N 3.32Å
145	L	94.6	Very high	93.6	Very high	15 Å²	15	67.1 Å²	67.1	8%	0.079	33%	0.334	C	S	.	.	S	Bend	trans	-90.1	151.4	171.9	-72.1	164.8	0	0	0	110.4	L59 L138 A141 D149 A150 L153	L59-L145 HydrophobicContact CD1-CD2 4.42Å; L59-L145 HydrophobicContact CD2-CD2 3.88Å; L138-L145 HydrophobicContact CD1-CD1 3.78Å; A141-L145 HydrophobicContact CB-CD1 4.21Å; A141-L145 PolarHBondContact O-N 3.28Å; L145-D149 HydrophobicContact CD2-CB 4.31Å; L145-A150 HydrophobicContact CB-CB 4.08Å; L145-L153 HydrophobicContact CD1-CD1 3.99Å; L145-L153 HydrophobicContact CD2-CD1 4.32Å
146	N	93.8	Very high	93.7	Very high	60 Å²	60	66.8 Å²	66.8	32%	0.321	33%	0.332	S	S	.	.			trans	-68.1	157	166	70.1	63.7	0	0	0	110.4	R148 D149 A150	N146-R148 PolarHBondContact O-N 3.09Å; N146-R148 WeakPolarHBondContact OD1-CB 3.49Å; N146-R148 PolarHBondContact OD1-N 3.29Å; N146-R148 VanDerWaalsContact OD1-N 3.13Å; N146-D149 PolarHBondContact ND2-OD2 2.73Å; N146-D149 PolarHBondContact O-N 2.76Å; N146-D149 PolarHBondContact OD1-N 2.84Å; N146-A150 VanDerWaalsContact O-CB 3.3Å; N146-A150 WeakPolarHBondContact O-CB 3.15Å; N146-A150 PolarHBondContact O-N 3.4Å
147	A	92.2	Very high	93.8	Very high	89 Å²	89	66.6 Å²	66.6	74%	0.736	33%	0.331	S	S	*	.	H	α-helix	trans	-58.9	-33.4	-173.9	0	0	0	0	0	113.8	S151	A147-S151 WeakPolarHBondContact O-CB 3.4Å; A147-S151 PolarHBondContact O-N 2.88Å; A147-S151 VanDerWaalsContact O-N 3.1Å
148	R	91.5	Very high	93.8	Very high	148 Å²	148	65 Å²	65	56%	0.558	33%	0.333	S	S	*	.	H	α-helix	trans	-68.5	-51.2	179.7	179.9	-172.3	175.3	178.6	-7.2	110.8	N146 S151 L152	N146-R148 PolarHBondContact O-N 3.09Å; N146-R148 WeakPolarHBondContact OD1-CB 3.49Å; N146-R148 PolarHBondContact OD1-N 3.29Å; N146-R148 VanDerWaalsContact OD1-N 3.13Å; R148-S151 PolarHBondContact O-N 2.92Å; R148-L152 WeakPolarHBondContact O-CB 3.3Å; R148-L152 PolarHBondContact O-N 3.34Å
149	D	93.9	Very high	94	Very high	19 Å²	19	66 Å²	66	10%	0.102	34%	0.338	C	S	.	.	H	α-helix	trans	-68.3	-38.5	-179.1	-66.5	-14.5	0	0	0	110.7	A68 L145 N146 S151 L152 L153	A68-D149 HydrophobicContact CB-CB 4.48Å; L145-D149 HydrophobicContact CD2-CB 4.31Å; N146-D149 PolarHBondContact ND2-OD2 2.73Å; N146-D149 PolarHBondContact O-N 2.76Å; N146-D149 PolarHBondContact OD1-N 2.84Å; D149-S151 VanDerWaalsContact C-N 3.34Å; D149-S151 PolarHBondContact O-N 3.32Å; D149-L152 PolarHBondContact O-N 3.04Å; D149-L153 VanDerWaalsContact O-CB 3.31Å; D149-L153 WeakPolarHBondContact O-CB 3.46Å; D149-L153 VanDerWaalsContact O-CG 3.26Å; D149-L153 WeakPolarHBondContact O-CG 3.46Å; D149-L153 PolarHBondContact O-N 2.67Å
150	A	95	Very high	94.2	Very high	12 Å²	12	55.8 Å²	55.8	10%	0.099	30%	0.301	C	S	.	.	H	α-helix	trans	-56.5	-47.7	173.7	0	0	0	0	0	111.7	L142 L145 N146 S154	L142-A150 HydrophobicContact CD1-CB 3.88Å; L145-A150 HydrophobicContact CB-CB 4.08Å; N146-A150 VanDerWaalsContact O-CB 3.3Å; N146-A150 WeakPolarHBondContact O-CB 3.15Å; N146-A150 PolarHBondContact O-N 3.4Å; A150-S154 VanDerWaalsContact O-CB 3.28Å; A150-S154 WeakPolarHBondContact O-CB 3.37Å; A150-S154 PolarHBondContact O-N 3.43Å; A150-S154 VanDerWaalsContact O-N 3.12Å; A150-S154 PolarHBondContact O-OG 3.39Å
151	S	94.5	Very high	94.5	Very high	76 Å²	76	53.9 Å²	53.9	53%	0.531	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-46.4	176.7	-179.3	0	0	0	0	111.7	A147 R148 D149 S154 T155	A147-S151 WeakPolarHBondContact O-CB 3.4Å; A147-S151 PolarHBondContact O-N 2.88Å; A147-S151 VanDerWaalsContact O-N 3.1Å; R148-S151 PolarHBondContact O-N 2.92Å; D149-S151 VanDerWaalsContact C-N 3.34Å; D149-S151 PolarHBondContact O-N 3.32Å; S151-S154 PolarHBondContact O-N 3.08Å; S151-T155 PolarHBondContact O-N 3.33Å; S151-T155 VanDerWaalsContact O-N 3.08Å; S151-T155 PolarHBondContact O-OG1 2.95Å
152	L	95.6	Very high	94.6	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.068	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-48.6	-176.7	-174.3	66.6	0	0	0	112.1	Y50 I96 W105 R148 D149 S154 T155 A156	Y50-L152 HydrophobicContact CD2-CD2 4.39Å; Y50-L152 HydrophobicContact CE1-CD2 4.17Å; Y50-L152 HydrophobicContact CE2-CD2 3.62Å; Y50-L152 VanDerWaalsContact CZ-CD2 3.46Å; Y50-L152 WeakPolarHBondContact OH-CD2 3.42Å; I96-L152 HydrophobicContact CB-CD1 4.03Å; I96-L152 HydrophobicContact CD1-CD1 3.69Å; I96-L152 HydrophobicContact CD1-CD2 4.08Å; I96-L152 HydrophobicContact CD1-CG 3.67Å; I96-L152 HydrophobicContact CG1-CD1 3.78Å; I96-L152 HydrophobicContact CG1-CG 4.34Å; W105-L152 HydrophobicContact CD2-CD2 4.48Å; W105-L152 HydrophobicContact CE3-CD1 3.94Å; W105-L152 HydrophobicContact CE3-CD2 3.8Å; W105-L152 HydrophobicContact CZ3-CD1 4.49Å; W105-L152 HydrophobicContact CZ3-CD2 4.37Å; R148-L152 WeakPolarHBondContact O-CB 3.3Å; R148-L152 PolarHBondContact O-N 3.34Å; D149-L152 PolarHBondContact O-N 3.04Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 2.95Å; L152-T155 PolarHBondContact O-N 3.22Å; L152-A156 PolarHBondContact O-N 2.84Å
153	L	97.2	Very high	94.8	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-31.4	178.9	-65	179	0	0	0	112.3	Y50 F52 P57 L59 A68 L138 L145 D149 A156 Q157	Y50-L153 HydrophobicContact CD1-CD2 3.92Å; Y50-L153 HydrophobicContact CG-CD2 4.37Å; F52-L153 HydrophobicContact CE2-CD2 4.05Å; F52-L153 HydrophobicContact CZ-CB 4.33Å; F52-L153 HydrophobicContact CZ-CD2 3.72Å; P57-L153 HydrophobicContact CB-CD1 3.96Å; P57-L153 HydrophobicContact CB-CD2 4.11Å; P57-L153 HydrophobicContact CG-CD1 4.18Å; L59-L153 HydrophobicContact CD2-CD1 3.85Å; A68-L153 HydrophobicContact CB-CD1 3.95Å; A68-L153 HydrophobicContact CB-CD2 4.36Å; A68-L153 HydrophobicContact CB-CG 4.46Å; L138-L153 HydrophobicContact CD1-CB 3.95Å; L138-L153 HydrophobicContact CD1-CD1 4.4Å; L138-L153 HydrophobicContact CD2-CB 4.45Å; L145-L153 HydrophobicContact CD1-CD1 3.99Å; L145-L153 HydrophobicContact CD2-CD1 4.32Å; D149-L153 VanDerWaalsContact O-CB 3.31Å; D149-L153 WeakPolarHBondContact O-CB 3.46Å; D149-L153 VanDerWaalsContact O-CG 3.26Å; D149-L153 WeakPolarHBondContact O-CG 3.46Å; D149-L153 PolarHBondContact O-N 2.67Å; L153-A156 PolarHBondContact O-N 3.12Å; L153-Q157 WeakPolarHBondContact O-CB 3.39Å; L153-Q157 PolarHBondContact O-N 3.18Å
154	S	96	Very high	94.9	Very high	49 Å²	49	46.5 Å²	46.5	34%	0.343	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-43.6	173.1	-61.8	0	0	0	0	111.5	A150 S151 L152 A158	A150-S154 VanDerWaalsContact O-CB 3.28Å; A150-S154 WeakPolarHBondContact O-CB 3.37Å; A150-S154 PolarHBondContact O-N 3.43Å; A150-S154 VanDerWaalsContact O-N 3.12Å; A150-S154 PolarHBondContact O-OG 3.39Å; S151-S154 PolarHBondContact O-N 3.08Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 2.95Å; S154-A158 WeakPolarHBondContact O-CB 3.28Å; S154-A158 PolarHBondContact O-N 3.26Å
155	T	95.6	Very high	94.9	Very high	63 Å²	63	45.9 Å²	45.9	39%	0.387	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-45.3	173.8	-60.2	0	0	0	0	111.3	S151 L152 A158 L159	S151-T155 PolarHBondContact O-N 3.33Å; S151-T155 VanDerWaalsContact O-N 3.08Å; S151-T155 PolarHBondContact O-OG1 2.95Å; L152-T155 PolarHBondContact O-N 3.22Å; T155-A158 PolarHBondContact O-N 2.95Å; T155-L159 HydrophobicContact CG2-CD1 4.1Å; T155-L159 WeakPolarHBondContact O-CG 3.39Å; T155-L159 PolarHBondContact O-N 2.91Å
156	A	97.3	Very high	94.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.7	-53.3	176.1	0	0	0	0	0	112.1	F52 I96 A107 L152 L153 A158 L159 L160	F52-A156 HydrophobicContact CE1-CB 4.48Å; F52-A156 HydrophobicContact CE2-CB 3.7Å; F52-A156 HydrophobicContact CZ-CB 3.52Å; I96-A156 HydrophobicContact CD1-CB 4.22Å; I96-A156 HydrophobicContact CG2-CB 3.72Å; A107-A156 HydrophobicContact CB-CB 3.58Å; L152-A156 PolarHBondContact O-N 2.84Å; L153-A156 PolarHBondContact O-N 3.12Å; A156-A158 VanDerWaalsContact C-N 3.29Å; A156-A158 PolarHBondContact O-N 3.08Å; A156-L159 PolarHBondContact O-N 3.3Å; A156-L160 WeakPolarHBondContact O-CB 3.49Å; A156-L160 VanDerWaalsContact O-CG 3.3Å; A156-L160 WeakPolarHBondContact O-CG 3.21Å; A156-L160 PolarHBondContact O-N 3.16Å
157	Q	96.8	Very high	94.9	Very high	26 Å²	26	48 Å²	48	12%	0.121	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-41.4	179.7	-172.9	-176.2	83.2	0	0	111.6	F52 L55 L138 L153 R161	F52-Q157 HydrophobicContact CE1-CB 4.14Å; L55-Q157 HydrophobicContact CB-CG 4.09Å; L55-Q157 PolarHBondContact O-NE2 3.26Å; L138-Q157 HydrophobicContact CD2-CB 4.23Å; L153-Q157 WeakPolarHBondContact O-CB 3.39Å; L153-Q157 PolarHBondContact O-N 3.18Å; Q157-R161 VanDerWaalsContact O-CB 3.22Å; Q157-R161 WeakPolarHBondContact O-CB 3.34Å; Q157-R161 PolarHBondContact O-N 3.03Å
158	A	95.8	Very high	95.1	Very high	57 Å²	57	49.6 Å²	49.6	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-44	178.9	0	0	0	0	0	112.3	S154 T155 A156 W162	S154-A158 WeakPolarHBondContact O-CB 3.28Å; S154-A158 PolarHBondContact O-N 3.26Å; T155-A158 PolarHBondContact O-N 2.95Å; A156-A158 VanDerWaalsContact C-N 3.29Å; A156-A158 PolarHBondContact O-N 3.08Å; A158-W162 WeakPolarHBondContact O-CB 3.44Å; A158-W162 PolarHBondContact O-N 3.16Å
159	L	96.3	Very high	95.3	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.141	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-45.5	178	-71.5	173.7	0	0	0	112.1	V94 I96 T155 A156 W162 H163 P196	V94-L159 HydrophobicContact CB-CB 4.45Å; V94-L159 HydrophobicContact CG2-CB 4.05Å; V94-L159 HydrophobicContact CG2-CD1 4.49Å; I96-L159 HydrophobicContact CG2-CD1 4.39Å; T155-L159 HydrophobicContact CG2-CD1 4.1Å; T155-L159 WeakPolarHBondContact O-CG 3.39Å; T155-L159 PolarHBondContact O-N 2.91Å; A156-L159 PolarHBondContact O-N 3.3Å; L159-W162 PolarHBondContact O-N 3.18Å; L159-H163 PolarHBondContact O-CD2 2.91Å; L159-H163 PolarHBondContact O-N 3.17Å; L159-P196 HydrophobicContact CD2-CB 3.92Å; L159-P196 HydrophobicContact CD2-CG 3.56Å
160	L	96	Very high	95.4	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-49	176.4	-70.2	169	0	0	0	110.9	F52 L55 V94 A107 D109 L112 A156 W162 H163 D164	F52-L160 HydrophobicContact CB-CD1 3.96Å; F52-L160 HydrophobicContact CD1-CD1 4.04Å; F52-L160 HydrophobicContact CD2-CD1 3.7Å; F52-L160 HydrophobicContact CE1-CD1 4.5Å; F52-L160 HydrophobicContact CE2-CD1 4.21Å; F52-L160 HydrophobicContact CG-CD1 3.63Å; L55-L160 HydrophobicContact CD2-CB 3.81Å; V94-L160 HydrophobicContact CG1-CD2 4.31Å; V94-L160 HydrophobicContact CG2-CD2 3.96Å; V94-L160 HydrophobicContact CG2-CG 4.09Å; A107-L160 HydrophobicContact CB-CD1 4.14Å; D109-L160 HydrophobicContact CB-CD1 4.17Å; D109-L160 HydrophobicContact CB-CD2 4.16Å; L112-L160 HydrophobicContact CD1-CB 4.49Å; A156-L160 WeakPolarHBondContact O-CB 3.49Å; A156-L160 VanDerWaalsContact O-CG 3.3Å; A156-L160 WeakPolarHBondContact O-CG 3.21Å; A156-L160 PolarHBondContact O-N 3.16Å; L160-W162 VanDerWaalsContact C-N 3.31Å; L160-W162 PolarHBondContact O-N 2.96Å; L160-H163 PolarHBondContact O-N 3.18Å; L160-D164 PolarHBondContact O-N 3.26Å
161	R	95.3	Very high	95.5	Very high	123 Å²	123	55.9 Å²	55.9	46%	0.464	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-40.2	175.9	-176.5	179.8	-69.5	149.3	7.2	112.2	L55 Q157 D164 A165	L55-R161 HydrophobicContact CD1-CB 3.84Å; L55-R161 HydrophobicContact CD1-CG 3.96Å; L55-R161 HydrophobicContact CD2-CB 4.08Å; Q157-R161 VanDerWaalsContact O-CB 3.22Å; Q157-R161 WeakPolarHBondContact O-CB 3.34Å; Q157-R161 PolarHBondContact O-N 3.03Å; R161-D164 PolarHBondContact O-N 3.42Å; R161-A165 WeakPolarHBondContact O-CB 3.16Å; R161-A165 PolarHBondContact O-N 3.15Å
162	W	95.8	Very high	95.6	Very high	15 Å²	15	54.5 Å²	54.5	6%	0.057	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-45.5	178.3	174.8	73.9	0	0	0	111.3	A158 L159 L160 A165 H166 R185 Y194 Y195 P196	A158-W162 WeakPolarHBondContact O-CB 3.44Å; A158-W162 PolarHBondContact O-N 3.16Å; L159-W162 PolarHBondContact O-N 3.18Å; L160-W162 VanDerWaalsContact C-N 3.31Å; L160-W162 PolarHBondContact O-N 2.96Å; W162-A165 PolarHBondContact O-N 3.04Å; W162-H166 AromaticContact CD1-CE1 3.36Å; W162-H166 AromaticContact CD1-CG 3.76Å; W162-H166 AromaticContact CD1-ND1 3.24Å; W162-H166 AromaticContact CD1-NE2 3.88Å; W162-H166 AromaticContact CG-ND1 3.95Å; W162-H166 AromaticContact NE1-CD2 3.56Å; W162-H166 AromaticContact NE1-CE1 3.58Å; W162-H166 AromaticContact NE1-CG 3.41Å; W162-H166 AromaticContact NE1-ND1 3.42Å; W162-H166 PolarHBondContact NE1-ND1 3.05Å; W162-H166 AromaticContact NE1-NE2 3.64Å; W162-H166 VanDerWaalsContact O-CB 3.29Å; W162-H166 WeakPolarHBondContact O-CB 3.36Å; W162-H166 PolarHBondContact O-N 3.41Å; W162-H166 PolarHBondContact O-ND1 3.15Å; W162-R185 HydrophobicContact CH2-CB 4.1Å; W162-R185 HydrophobicContact CH2-CG 3.61Å; W162-R185 HydrophobicContact CZ2-CG 4.43Å; W162-R185 HydrophobicContact CZ3-CG 3.89Å; W162-Y194 WeakPolarHBondContact CH2-O 3.5Å; W162-Y195 WeakPolarHBondContact CZ2-O 3.48Å; W162-P196 HydrophobicContact CD2-CB 4.1Å; W162-P196 HydrophobicContact CD2-CG 4.04Å; W162-P196 HydrophobicContact CE3-CB 4.26Å; W162-P196 HydrophobicContact CE3-CG 3.72Å; W162-P196 HydrophobicContact CG-CB 4.29Å; W162-P196 HydrophobicContact CH2-CG 4.24Å; W162-P196 HydrophobicContact CZ3-CG 3.77Å
163	H	94.9	Very high	95.6	Very high	17 Å²	17	56.2 Å²	56.2	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-38.7	177.7	-74.2	-58.5	0	0	0	113.6	V94 L159 L160 A165 H166 Q167 K178 G182	V94-H163 VanDerWaalsContact CG1-CD2 3.46Å; V94-H163 WeakPolarHBondContact CG1-CD2 3.26Å; L159-H163 PolarHBondContact O-CD2 2.91Å; L159-H163 PolarHBondContact O-N 3.17Å; L160-H163 PolarHBondContact O-N 3.18Å; H163-A165 VanDerWaalsContact C-N 3.33Å; H163-H166 PolarHBondContact O-N 2.89Å; H163-Q167 WeakPolarHBondContact O-CG 3.22Å; H163-K178 WeakPolarHBondContact CE1-CD 3.15Å; H163-K178 WeakPolarHBondContact CE1-CG 3.33Å; H163-G182 PolarHBondContact CE1-O 3.06Å; H163-G182 WeakPolarHBondContact NE2-CA 3.49Å; H163-G182 PolarHBondContact NE2-O 3.34Å
164	D	92.4	Very high	95.5	Very high	72 Å²	72	61.3 Å²	61.3	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-59	-45.3	174.5	-174.3	54.3	0	0	0	111.3	L112 L160 R161 Q167	L112-D164 HydrophobicContact CD1-CB 4.17Å; L112-D164 HydrophobicContact CD2-CB 4.42Å; L160-D164 PolarHBondContact O-N 3.26Å; R161-D164 PolarHBondContact O-N 3.42Å; D164-Q167 WeakPolarHBondContact O-CG 3.43Å
165	A	92.6	Very high	95.5	Very high	71 Å²	71	62.3 Å²	62.3	59%	0.587	34%	0.341	S	S	*	.	H	α-helix	trans	-78.5	-18.3	-179.2	0	0	0	0	0	115	R161 W162 H163	R161-A165 WeakPolarHBondContact O-CB 3.16Å; R161-A165 PolarHBondContact O-N 3.15Å; W162-A165 PolarHBondContact O-N 3.04Å; H163-A165 VanDerWaalsContact C-N 3.33Å
166	H	93.9	Very high	95.5	Very high	57 Å²	57	59.7 Å²	59.7	26%	0.264	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	38.8	-170.8	-64.4	72.1	0	0	0	113.2	W162 H163 F168 T176 R185	W162-H166 AromaticContact CD1-CE1 3.36Å; W162-H166 AromaticContact CD1-CG 3.76Å; W162-H166 AromaticContact CD1-ND1 3.24Å; W162-H166 AromaticContact CD1-NE2 3.88Å; W162-H166 AromaticContact CG-ND1 3.95Å; W162-H166 AromaticContact NE1-CD2 3.56Å; W162-H166 AromaticContact NE1-CE1 3.58Å; W162-H166 AromaticContact NE1-CG 3.41Å; W162-H166 AromaticContact NE1-ND1 3.42Å; W162-H166 PolarHBondContact NE1-ND1 3.05Å; W162-H166 AromaticContact NE1-NE2 3.64Å; W162-H166 VanDerWaalsContact O-CB 3.29Å; W162-H166 WeakPolarHBondContact O-CB 3.36Å; W162-H166 PolarHBondContact O-N 3.41Å; W162-H166 PolarHBondContact O-ND1 3.15Å; H163-H166 PolarHBondContact O-N 2.89Å; H166-F168 VanDerWaalsContact C-N 3.3Å; H166-F168 PolarHBondContact O-N 2.93Å; H166-T176 PolarHBondContact O-OG1 2.81Å; H166-R185 VanDerWaalsContact O-CD 3.26Å; H166-R185 WeakPolarHBondContact O-CD 3.39Å; H166-R185 PolarHBondContact O-NE 2.89Å
167	Q	93.8	Very high	95.4	Very high	62 Å²	62	66.7 Å²	66.7	29%	0.29	36%	0.355	S	S	.	.			trans	-67.8	-28	-179.4	-66.4	-178	-15.5	0	0	113.3	H163 D164 T176	H163-Q167 WeakPolarHBondContact O-CG 3.22Å; D164-Q167 WeakPolarHBondContact O-CG 3.43Å; Q167-T176 PolarHBondContact O-N 3.25Å; Q167-T176 PolarHBondContact O-OG1 3.38Å
168	F	96.2	Very high	95.3	Very high	123 Å²	123	67.7 Å²	67.7	54%	0.539	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-115.8	152.1	-174.9	-60.2	-88.6	0	0	0	113.1	H166 S170 G173 P175	H166-F168 VanDerWaalsContact C-N 3.3Å; H166-F168 PolarHBondContact O-N 2.93Å; F168-S170 PolarHBondContact O-N 3.03Å; F168-G173 WeakPolarHBondContact CD1-O 3.48Å; F168-P175 HydrophobicContact CD1-CG 4.18Å; F168-P175 HydrophobicContact CE1-CG 3.92Å
169	C	96.9	Very high	95.3	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.02	34%	0.34	C	S	.	.			trans	-75	122.9	177.6	176.7	0	0	0	0	110.2	R171 S172 G173 Q174 T176 C187 N190 Y194	C169-R171 PolarHBondContact O-N 3.22Å; C169-R171 VanDerWaalsContact O-N 3.15Å; C169-R171 PolarHBondContact SG-N 2.99Å; C169-R171 VanDerWaalsContact SG-N 3.44Å; C169-S172 WeakPolarHBondContact CB-OG 3.39Å; C169-S172 PolarHBondContact O-N 3.03Å; C169-S172 PolarHBondContact SG-N 3.18Å; C169-S172 PolarHBondContact SG-OG 2.86Å; C169-S172 VanDerWaalsContact SG-OG 3.34Å; C169-G173 VanDerWaalsContact O-CA 3.28Å; C169-G173 WeakPolarHBondContact O-CA 3.39Å; C169-G173 PolarHBondContact O-N 2.81Å; C169-Q174 WeakPolarHBondContact CB-O 3.29Å; C169-Q174 PolarHBondContact N-O 2.95Å; C169-T176 HydrophobicContact CB-CG2 3.91Å; C169-C187 HydrophobicContact CB-CB 3.89Å; C169-C187 VanDerWaalsContact CB-SG 3.51Å; C169-C187 VanDerWaalsContact SG-SG 3.64Å; C169-N190 PolarHBondContact SG-ND2 2.81Å; C169-Y194 HydrophobicContact CB-CE2 4.4Å; C169-Y194 PolarHBondContact SG-OH 3.3Å
170	S	95.9	Very high	95.3	Very high	106 Å²	106	65 Å²	65	74%	0.741	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21	177.3	57.9	0	0	0	0	114.4	F168 Y194	F168-S170 PolarHBondContact O-N 3.03Å; S170-Y194 PolarHBondContact N-OH 3.41Å; S170-Y194 VanDerWaalsContact N-OH 3.12Å; S170-Y194 WeakPolarHBondContact OG-CE1 3.35Å; S170-Y194 PolarHBondContact OG-OH 3.44Å
171	R	96.4	Very high	95.3	Very high	203 Å²	203	64.6 Å²	64.6	77%	0.766	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-44.3	179	-175.1	179.1	-179.8	125.8	-1.2	113.3	C169 I192	C169-R171 PolarHBondContact O-N 3.22Å; C169-R171 VanDerWaalsContact O-N 3.15Å; C169-R171 PolarHBondContact SG-N 2.99Å; C169-R171 VanDerWaalsContact SG-N 3.44Å; R171-I192 HydrophobicContact CB-CD1 4.01Å; R171-I192 HydrophobicContact CG-CD1 4.4Å
172	S	96.6	Very high	95.4	Very high	47 Å²	47	58.7 Å²	58.7	33%	0.329	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-11.7	-172.8	61.9	0	0	0	0	114.4	C169 Q174 C187 S189	C169-S172 WeakPolarHBondContact CB-OG 3.39Å; C169-S172 PolarHBondContact O-N 3.03Å; C169-S172 PolarHBondContact SG-N 3.18Å; C169-S172 PolarHBondContact SG-OG 2.86Å; C169-S172 VanDerWaalsContact SG-OG 3.34Å; S172-Q174 PolarHBondContact O-N 2.78Å; S172-C187 PolarHBondContact OG-SG 2.96Å; S172-C187 VanDerWaalsContact OG-SG 3.41Å; S172-S189 PolarHBondContact OG-OG 3.25Å
173	G	95.9	Very high	95.4	Very high	49 Å²	49	59 Å²	59	51%	0.505	32%	0.317	S	S	.	.			trans	71.6	-3.2	-172.9	0	0	0	0	0	114.8	F168 C169	F168-G173 WeakPolarHBondContact CD1-O 3.48Å; C169-G173 VanDerWaalsContact O-CA 3.28Å; C169-G173 WeakPolarHBondContact O-CA 3.39Å; C169-G173 PolarHBondContact O-N 2.81Å
174	Q	96	Very high	95.5	Very high	108 Å²	108	59.6 Å²	59.6	51%	0.505	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-79.3	150.5	-177.2	-68	-64.2	-30.3	0	0	112.3	C169 S172 T176	C169-Q174 WeakPolarHBondContact CB-O 3.29Å; C169-Q174 PolarHBondContact N-O 2.95Å; S172-Q174 PolarHBondContact O-N 2.78Å; Q174-T176 PolarHBondContact O-N 3.45Å
175	P	95.7	Very high	95.7	Very high	71 Å²	71	57.5 Å²	57.5	46%	0.461	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-55.2	134.9	173.2	-23.7	32.8	0	0	0	111.8	F168 P188	F168-P175 HydrophobicContact CD1-CG 4.18Å; F168-P175 HydrophobicContact CE1-CG 3.92Å; P175-P188 WeakPolarHBondContact O-CD 3.26Å
176	T	96.1	Very high	95.9	Very high	8 Å²	8	56.1 Å²	56.1	5%	0.049	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-92.7	151.9	173.3	56.4	0	0	0	0	109.9	H166 Q167 C169 Q174 R185 C187 Y194	H166-T176 PolarHBondContact O-OG1 2.81Å; Q167-T176 PolarHBondContact O-N 3.25Å; Q167-T176 PolarHBondContact O-OG1 3.38Å; C169-T176 HydrophobicContact CB-CG2 3.91Å; Q174-T176 PolarHBondContact O-N 3.45Å; T176-R185 PolarHBondContact O-NH2 3.19Å; T176-R185 PolarHBondContact OG1-NE 3.42Å; T176-R185 PolarHBondContact OG1-NH2 3.49Å; T176-C187 HydrophobicContact CG2-CB 4.09Å; T176-Y194 HydrophobicContact CG2-CD2 4.19Å; T176-Y194 HydrophobicContact CG2-CE2 4.11Å
177	K	94.7	Very high	96	Very high	146 Å²	146	53.4 Å²	53.4	64%	0.635	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.5	175.8	-66.7	-171	177.7	-172.1	0	110.4	R185 V186 P188	K177-R185 CarbonylContact O-C 3.57Å; K177-R185 VanDerWaalsContact O-CA 3.23Å; K177-R185 WeakPolarHBondContact O-CA 3.41Å; K177-V186 PolarHBondContact N-O 2.92Å; K177-V186 PolarHBondContact O-N 3.12Å; K177-P188 HydrophobicContact CD-CG 3.91Å; K177-P188 HydrophobicContact CG-CG 3.82Å
178	K	95	Very high	96.2	Very high	47 Å²	47	53.8 Å²	53.8	20%	0.204	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	148.6	171.7	-161.3	-171	62.1	166.6	0	109.7	E91 D92 S93 H163 R185	E91-K178 WeakPolarHBondContact O-CE 3.42Å; E91-K178 PolarHBondContact O-NZ 3.17Å; D92-K178 VanDerWaalsContact CA-NZ 3.29Å; D92-K178 PolarHBondContact O-NZ 3.25Å; S93-K178 PolarHBondContact O-NZ 2.84Å; H163-K178 WeakPolarHBondContact CE1-CD 3.15Å; H163-K178 WeakPolarHBondContact CE1-CG 3.33Å; K178-R185 HydrophobicContact CB-CG 4.45Å; K178-R185 HydrophobicContact CG-CG 4.45Å
179	N	95.3	Very high	96.2	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.064	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-80.5	168.1	162.3	76.1	-47.5	0	0	0	110.8	K34 D37 A181 G182 S183 K184	K34-N179 PolarHBondContact O-ND2 3.04Å; K34-N179 VanDerWaalsContact O-ND2 3.08Å; D37-N179 WeakPolarHBondContact OD1-CB 3.4Å; N179-A181 VanDerWaalsContact C-N 3.28Å; N179-A181 PolarHBondContact O-N 3.44Å; N179-G182 PolarHBondContact O-N 3.29Å; N179-G182 PolarHBondContact OD1-N 2.92Å; N179-S183 PolarHBondContact ND2-OG 3.37Å; N179-S183 PolarHBondContact OD1-N 3.32Å; N179-S183 PolarHBondContact OD1-OG 2.76Å; N179-K184 HydrophobicContact CB-CG 4.19Å; N179-K184 PolarHBondContact N-O 2.81Å; N179-K184 PolarHBondContact OD1-N 3.41Å; N179-K184 PolarHBondContact OD1-O 3.41Å; N179-K184 VanDerWaalsContact OD1-O 3.12Å
180	V	95.8	Very high	96.1	Very high	15 Å²	15	53.6 Å²	53.6	9%	0.091	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-39.7	-173.4	178.6	0	0	0	0	111.4	D37 C40 K41 G182	D37-V180 HydrophobicContact CB-CB 4.24Å; D37-V180 HydrophobicContact CB-CG2 3.66Å; D37-V180 PolarHBondContact OD1-N 2.83Å; C40-V180 HydrophobicContact CB-CB 4.08Å; C40-V180 HydrophobicContact CB-CG1 3.86Å; K41-V180 HydrophobicContact CD-CG2 4.42Å; K41-V180 HydrophobicContact CG-CG1 3.93Å; K41-V180 HydrophobicContact CG-CG2 4.06Å; V180-G182 VanDerWaalsContact C-N 3.26Å; V180-G182 PolarHBondContact O-N 2.99Å
181	A	97.1	Very high	96.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.5	179.6	0	0	0	0	0	114.6	L33 K34 L95 N179 S183	L33-A181 WeakPolarHBondContact O-CB 3.23Å; K34-A181 HydrophobicContact CG-CB 4.41Å; L95-A181 HydrophobicContact CB-CB 4.05Å; L95-A181 WeakPolarHBondContact CB-O 3.34Å; L95-A181 HydrophobicContact CD2-CB 4.28Å; L95-A181 PolarHBondContact N-O 3.33Å; N179-A181 VanDerWaalsContact C-N 3.28Å; N179-A181 PolarHBondContact O-N 3.44Å; A181-S183 PolarHBondContact O-N 3.16Å
182	G	96	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	65.8	21.4	-171.8	0	0	0	0	0	114.7	H163 N179 V180	H163-G182 PolarHBondContact CE1-O 3.06Å; H163-G182 WeakPolarHBondContact NE2-CA 3.49Å; H163-G182 PolarHBondContact NE2-O 3.34Å; N179-G182 PolarHBondContact O-N 3.29Å; N179-G182 PolarHBondContact OD1-N 2.92Å; V180-G182 VanDerWaalsContact C-N 3.26Å; V180-G182 PolarHBondContact O-N 2.99Å
183	S	96.1	Very high	96.2	Very high	20 Å²	20	48.6 Å²	48.6	14%	0.14	27%	0.271	C	S	.	.	S	Bend	trans	-79.6	-22	177.4	57.3	0	0	0	0	113.1	K34 N179 A181 P196	K34-S183 PolarHBondContact O-OG 3.39Å; N179-S183 PolarHBondContact ND2-OG 3.37Å; N179-S183 PolarHBondContact OD1-N 3.32Å; N179-S183 PolarHBondContact OD1-OG 2.76Å; A181-S183 PolarHBondContact O-N 3.16Å; S183-P196 WeakPolarHBondContact O-CD 3.45Å
184	K	96.6	Very high	96.3	Very high	31 Å²	31	48.1 Å²	48.1	14%	0.135	25%	0.254	C	S	.	.			trans	-152	163	-177.6	61.6	-168.2	173.2	-165.3	0	111.8	E35 N179 I193 Y194 Y195	E35-K184 IonicContact OE1-NZ 2.63Å; E35-K184 IonicContact OE2-NZ 2.83Å; E35-K184 PolarHBondContact OE2-NZ 2.84Å; N179-K184 HydrophobicContact CB-CG 4.19Å; N179-K184 PolarHBondContact N-O 2.81Å; N179-K184 PolarHBondContact OD1-N 3.41Å; N179-K184 PolarHBondContact OD1-O 3.41Å; N179-K184 VanDerWaalsContact OD1-O 3.12Å; K184-I193 HydrophobicContact CB-CG2 3.89Å; K184-I193 HydrophobicContact CD-CG2 4.05Å; K184-I193 HydrophobicContact CG-CG2 4.37Å; K184-Y194 WeakPolarHBondContact CA-O 3.44Å; K184-Y195 HydrophobicContact CB-CD1 3.99Å; K184-Y195 HydrophobicContact CB-CE1 3.91Å; K184-Y195 HydrophobicContact CD-CE1 4.3Å
185	R	96.5	Very high	96.3	Very high	28 Å²	28	49.2 Å²	49.2	11%	0.106	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.7	166.5	-62	-178.3	75.5	90.1	2.4	109	W162 H166 T176 K177 K178 I193 Y194	W162-R185 HydrophobicContact CH2-CB 4.1Å; W162-R185 HydrophobicContact CH2-CG 3.61Å; W162-R185 HydrophobicContact CZ2-CG 4.43Å; W162-R185 HydrophobicContact CZ3-CG 3.89Å; H166-R185 VanDerWaalsContact O-CD 3.26Å; H166-R185 WeakPolarHBondContact O-CD 3.39Å; H166-R185 PolarHBondContact O-NE 2.89Å; T176-R185 PolarHBondContact O-NH2 3.19Å; T176-R185 PolarHBondContact OG1-NE 3.42Å; T176-R185 PolarHBondContact OG1-NH2 3.49Å; K177-R185 CarbonylContact O-C 3.57Å; K177-R185 VanDerWaalsContact O-CA 3.23Å; K177-R185 WeakPolarHBondContact O-CA 3.41Å; K178-R185 HydrophobicContact CB-CG 4.45Å; K178-R185 HydrophobicContact CG-CG 4.45Å; R185-I193 CarbonylContact O-C 3.59Å; R185-I193 WeakPolarHBondContact O-CA 3.38Å; R185-Y194 PolarHBondContact N-O 2.88Å; R185-Y194 PolarHBondContact O-N 3.47Å
186	V	96.9	Very high	96.3	Very high	42 Å²	42	48 Å²	48	26%	0.255	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.6	-179.1	-173.4	0	0	0	0	108.8	K177 P188 I192 I193	K177-V186 PolarHBondContact N-O 2.92Å; K177-V186 PolarHBondContact O-N 3.12Å; V186-P188 WeakPolarHBondContact O-CD 3.45Å; V186-I192 WeakPolarHBondContact CA-O 3.5Å; V186-I193 HydrophobicContact CG2-CG1 4.21Å; V186-I193 HydrophobicContact CG2-CG2 4.42Å
187	C	97.4	Very high	96	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.			trans	-80	117.8	170.9	-179.6	0	0	0	0	109.9	C169 S172 T176 S189 N190 N191 I192 Y194	C169-C187 HydrophobicContact CB-CB 3.89Å; C169-C187 VanDerWaalsContact CB-SG 3.51Å; C169-C187 VanDerWaalsContact SG-SG 3.64Å; S172-C187 PolarHBondContact OG-SG 2.96Å; S172-C187 VanDerWaalsContact OG-SG 3.41Å; T176-C187 HydrophobicContact CG2-CB 4.09Å; C187-S189 PolarHBondContact O-N 3.19Å; C187-S189 PolarHBondContact SG-OG 2.81Å; C187-N190 WeakPolarHBondContact CB-OD1 3.37Å; C187-N190 PolarHBondContact O-N 3.34Å; C187-N190 PolarHBondContact SG-OD1 3.43Å; C187-N191 VanDerWaalsContact O-CA 3.25Å; C187-N191 WeakPolarHBondContact O-CA 3.32Å; C187-N191 PolarHBondContact O-N 2.78Å; C187-I192 PolarHBondContact N-O 3.12Å; C187-Y194 HydrophobicContact CB-CE2 4.44Å
188	P	96.1	Very high	95.6	Very high	69 Å²	69	56.8 Å²	56.8	45%	0.448	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.8	-177.9	-21.6	34.4	0	0	0	113.9	P175 K177 V186	P175-P188 WeakPolarHBondContact O-CD 3.26Å; K177-P188 HydrophobicContact CD-CG 3.91Å; K177-P188 HydrophobicContact CG-CG 3.82Å; V186-P188 WeakPolarHBondContact O-CD 3.45Å
189	S	96.6	Very high	95.3	Very high	75 Å²	75	57.8 Å²	57.8	52%	0.524	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-23.5	-176	75.6	0	0	0	0	113.6	S172 C187	S172-S189 PolarHBondContact OG-OG 3.25Å; C187-S189 PolarHBondContact O-N 3.19Å; C187-S189 PolarHBondContact SG-OG 2.81Å
190	N	96.3	Very high	95.1	Very high	47 Å²	47	60.6 Å²	60.6	25%	0.251	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.4	2.3	-174	64.3	30.8	0	0	0	114.2	C169 C187 I192	C169-N190 PolarHBondContact SG-ND2 2.81Å; C187-N190 WeakPolarHBondContact CB-OD1 3.37Å; C187-N190 PolarHBondContact O-N 3.34Å; C187-N190 PolarHBondContact SG-OD1 3.43Å; N190-I192 PolarHBondContact O-N 3.22Å; N190-I192 VanDerWaalsContact O-N 3.09Å; N190-I192 VanDerWaalsContact OD1-CB 3.29Å; N190-I192 WeakPolarHBondContact OD1-CB 3.38Å; N190-I192 VanDerWaalsContact OD1-CG1 3.25Å; N190-I192 WeakPolarHBondContact OD1-CG1 3.37Å; N190-I192 PolarHBondContact OD1-N 2.9Å
191	N	96.4	Very high	94.9	Very high	122 Å²	122	64 Å²	64	65%	0.652	35%	0.348	S	S	*	.			trans	57.8	16.9	179.3	-58.1	-40.1	0	0	0	115.4	C187 I193	C187-N191 VanDerWaalsContact O-CA 3.25Å; C187-N191 WeakPolarHBondContact O-CA 3.32Å; C187-N191 PolarHBondContact O-N 2.78Å; N191-I193 PolarHBondContact O-N 3.06Å
192	I	97.4	Very high	94.7	Very high	54 Å²	54	65.2 Å²	65.2	28%	0.277	36%	0.359	S	S	.	.			trans	-66.8	128.4	172.9	-65.5	172.7	0	0	0	108.6	R171 V186 C187 N190 Y194	R171-I192 HydrophobicContact CB-CD1 4.01Å; R171-I192 HydrophobicContact CG-CD1 4.4Å; V186-I192 WeakPolarHBondContact CA-O 3.5Å; C187-I192 PolarHBondContact N-O 3.12Å; N190-I192 PolarHBondContact O-N 3.22Å; N190-I192 VanDerWaalsContact O-N 3.09Å; N190-I192 VanDerWaalsContact OD1-CB 3.29Å; N190-I192 WeakPolarHBondContact OD1-CB 3.38Å; N190-I192 VanDerWaalsContact OD1-CG1 3.25Å; N190-I192 WeakPolarHBondContact OD1-CG1 3.37Å; N190-I192 PolarHBondContact OD1-N 2.9Å; I192-Y194 HydrophobicContact CB-CE2 4.12Å; I192-Y194 HydrophobicContact CG2-CD2 4.14Å; I192-Y194 HydrophobicContact CG2-CE1 4.2Å; I192-Y194 HydrophobicContact CG2-CE2 3.62Å
193	I	97	Very high	94.6	Very high	75 Å²	75	70.9 Å²	70.9	39%	0.385	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.7	175.4	-50.2	179.1	0	0	0	108.6	K184 R185 V186 N191 Y195	K184-I193 HydrophobicContact CB-CG2 3.89Å; K184-I193 HydrophobicContact CD-CG2 4.05Å; K184-I193 HydrophobicContact CG-CG2 4.37Å; R185-I193 CarbonylContact O-C 3.59Å; R185-I193 WeakPolarHBondContact O-CA 3.38Å; V186-I193 HydrophobicContact CG2-CG1 4.21Å; V186-I193 HydrophobicContact CG2-CG2 4.42Å; N191-I193 PolarHBondContact O-N 3.06Å; I193-Y195 HydrophobicContact CB-CE2 4.26Å; I193-Y195 HydrophobicContact CG2-CD2 4.36Å; I193-Y195 HydrophobicContact CG2-CE1 3.99Å; I193-Y195 HydrophobicContact CG2-CE2 3.74Å
194	Y	97.1	Very high	94.5	Very high	39 Å²	39	73 Å²	73	15%	0.153	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.6	173.5	-63	-88.6	0	0	0	109.1	W162 C169 S170 T176 K184 R185 C187 I192	W162-Y194 WeakPolarHBondContact CH2-O 3.5Å; C169-Y194 HydrophobicContact CB-CE2 4.4Å; C169-Y194 PolarHBondContact SG-OH 3.3Å; S170-Y194 PolarHBondContact N-OH 3.41Å; S170-Y194 VanDerWaalsContact N-OH 3.12Å; S170-Y194 WeakPolarHBondContact OG-CE1 3.35Å; S170-Y194 PolarHBondContact OG-OH 3.44Å; T176-Y194 HydrophobicContact CG2-CD2 4.19Å; T176-Y194 HydrophobicContact CG2-CE2 4.11Å; K184-Y194 WeakPolarHBondContact CA-O 3.44Å; R185-Y194 PolarHBondContact N-O 2.88Å; R185-Y194 PolarHBondContact O-N 3.47Å; C187-Y194 HydrophobicContact CB-CE2 4.44Å; I192-Y194 HydrophobicContact CB-CE2 4.12Å; I192-Y194 HydrophobicContact CG2-CD2 4.14Å; I192-Y194 HydrophobicContact CG2-CE1 4.2Å; I192-Y194 HydrophobicContact CG2-CE2 3.62Å
195	Y	96.8	Very high	94.5	Very high	132 Å²	132	76.6 Å²	76.6	52%	0.518	42%	0.42	S	S	.	.			trans	-112.5	152.8	175.3	-63.7	-77.2	0	0	0	110.3	W162 K184 I193 Q197	W162-Y195 WeakPolarHBondContact CZ2-O 3.48Å; K184-Y195 HydrophobicContact CB-CD1 3.99Å; K184-Y195 HydrophobicContact CB-CE1 3.91Å; K184-Y195 HydrophobicContact CD-CE1 4.3Å; I193-Y195 HydrophobicContact CB-CE2 4.26Å; I193-Y195 HydrophobicContact CG2-CD2 4.36Å; I193-Y195 HydrophobicContact CG2-CE1 3.99Å; I193-Y195 HydrophobicContact CG2-CE2 3.74Å; Y195-Q197 PolarHBondContact O-N 3.2Å
196	P	95.1	Very high	94.5	Very high	45 Å²	45	78.8 Å²	78.8	29%	0.292	44%	0.436	S	S	.	.			trans	-51.3	130.4	172.1	-26.1	32.6	0	0	0	111.9	L159 W162 S183	L159-P196 HydrophobicContact CD2-CB 3.92Å; L159-P196 HydrophobicContact CD2-CG 3.56Å; W162-P196 HydrophobicContact CD2-CB 4.1Å; W162-P196 HydrophobicContact CD2-CG 4.04Å; W162-P196 HydrophobicContact CE3-CB 4.26Å; W162-P196 HydrophobicContact CE3-CG 3.72Å; W162-P196 HydrophobicContact CG-CB 4.29Å; W162-P196 HydrophobicContact CH2-CG 4.24Å; W162-P196 HydrophobicContact CZ3-CG 3.77Å; S183-P196 WeakPolarHBondContact O-CD 3.45Å
197	Q	89.4	Confident	94.5	Very high	156 Å²	156	80.1 Å²	80.1	73%	0.729	45%	0.448	S	S	*	.			trans	-88.1	135.3	179.8	-66	-178.4	-12.6	0	0	110.6	Y195	Y195-Q197 PolarHBondContact O-N 3.2Å
198	M	86.3	Confident	94.4	Very high	183 Å²	183	84.4 Å²	84.4	90%	0.901	47%	0.47	S	S	*	.			trans	-107.9	127.9	168.3	-71.7	-169.3	-75.8	0	0	109.2	P200	M198-P200 WeakPolarHBondContact O-CD 3.45Å
199	A	89	Confident	94.4	Very high	68 Å²	68	84.4 Å²	84.4	56%	0.562	48%	0.483	S	S	*	.			trans	-100.7	103.5	173.4	0	0	0	0	0	108.9	V201 F231	A199-V201 PolarHBondContact O-N 3.34Å; A199-F231 HydrophobicContact CB-CD1 3.97Å; A199-F231 HydrophobicContact CB-CE1 3.84Å
200	P	90.4	Very high	94.4	Very high	70 Å²	70	86.7 Å²	86.7	46%	0.455	49%	0.494	S	S	.	.			trans	-63.2	135.9	178.1	24.3	-32.4	0	0	0	111	M198 C232	M198-P200 WeakPolarHBondContact O-CD 3.45Å; P200-C232 HydrophobicContact CB-CB 4.18Å; P200-C232 HydrophobicContact CG-CB 3.97Å; P200-C232 PolarHBondContact O-N 3.34Å
201	V	91.8	Very high	94.4	Very high	87 Å²	87	93 Å²	93	53%	0.527	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.2	178.3	175	0	0	0	0	108.6	A199 A229 G230 F231	A199-V201 PolarHBondContact O-N 3.34Å; V201-A229 HydrophobicContact CG1-CB 4.43Å; V201-G230 WeakPolarHBondContact CA-O 3.29Å; V201-G230 WeakPolarHBondContact CG1-O 3.25Å; V201-F231 HydrophobicContact CG2-CD1 3.53Å; V201-F231 HydrophobicContact CG2-CE1 3.62Å; V201-F231 HydrophobicContact CG2-CG 4.43Å
202	A	92.4	Very high	94.5	Very high	27 Å²	27	90.2 Å²	90.2	22%	0.223	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.3	168.5	0	0	0	0	0	109.7	A229 G230 A238	A202-A229 CarbonylContact O-C 3.59Å; A202-A229 WeakPolarHBondContact O-CA 3.39Å; A202-G230 PolarHBondContact N-O 3.01Å; A202-G230 PolarHBondContact O-N 2.88Å; A202-A238 HydrophobicContact CB-CB 4.05Å
203	I	94.4	Very high	94.4	Very high	119 Å²	119	92.1 Å²	92.1	61%	0.61	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.8	168.9	-177	164.1	0	0	0	108.5	A227 L228 A229	I203-A227 HydrophobicContact CD1-CB 4.26Å; I203-A227 HydrophobicContact CG1-CB 3.92Å; I203-L228 CarbonylContact C-O 3.56Å; I203-L228 WeakPolarHBondContact CA-O 3.47Å; I203-A229 HydrophobicContact CB-CB 4.29Å; I203-A229 HydrophobicContact CG1-CB 4.35Å
204	T	95.1	Very high	94.4	Very high	65 Å²	65	92.2 Å²	92.2	40%	0.399	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.5	-169.3	-55.4	0	0	0	0	110.8	V206 L228	T204-V206 HydrophobicContact CG2-CG2 4.33Å; T204-L228 PolarHBondContact N-O 3.09Å; T204-L228 PolarHBondContact O-N 3Å
205	L	96.5	Very high	94.3	Very high	105 Å²	105	92.3 Å²	92.3	55%	0.55	52%	0.524	S	S	.	.			trans	-93.7	110.4	169.8	-174.6	68.4	0	0	0	109.3	C212 L214 A227	L205-C212 HydrophobicContact CD1-CB 3.77Å; L205-C212 HydrophobicContact CG-CB 4.15Å; L205-L214 HydrophobicContact CD1-CD2 3.83Å; L205-A227 HydrophobicContact CB-CB 4.38Å; L205-A227 HydrophobicContact CD1-CB 4.24Å
206	V	96.1	Very high	94.2	Very high	75 Å²	75	91 Å²	91	46%	0.455	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.4	175.1	-176.7	0	0	0	0	108.4	T204 C212 L213 L228	T204-V206 HydrophobicContact CG2-CG2 4.33Å; V206-C212 CarbonylContact O-C 3.53Å; V206-C212 WeakPolarHBondContact O-CA 3.19Å; V206-C212 WeakPolarHBondContact O-CB 3.47Å; V206-L213 HydrophobicContact CB-CB 4.18Å; V206-L213 PolarHBondContact O-N 2.75Å; V206-L228 HydrophobicContact CG2-CD1 4.44Å
207	S	96.5	Very high	94.1	Very high	70 Å²	70	94.2 Å²	94.2	49%	0.49	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	144.7	-176.5	-179.6	0	0	0	0	111.1	G209 R211	S207-G209 VanDerWaalsContact C-N 3.34Å; S207-G209 PolarHBondContact OG-N 3.46Å; S207-R211 VanDerWaalsContact CA-O 3.27Å; S207-R211 WeakPolarHBondContact CA-O 3.25Å; S207-R211 PolarHBondContact OG-O 3.22Å; S207-R211 VanDerWaalsContact OG-O 3.09Å
208	D	96.1	Very high	94.2	Very high	89 Å²	89	92.9 Å²	92.9	48%	0.476	54%	0.537	S	S	.	.			trans	-94.4	7.2	168.2	69.6	12.5	0	0	0	112.5	T210 R211	D208-T210 VanDerWaalsContact C-N 3.33Å; D208-T210 WeakPolarHBondContact OD1-CA 3.28Å; D208-T210 PolarHBondContact OD1-N 3.44Å; D208-T210 PolarHBondContact OD1-OG1 3.48Å; D208-R211 PolarHBondContact N-O 3.08Å; D208-R211 VanDerWaalsContact N-O 3.07Å; D208-R211 PolarHBondContact OD1-N 3.15Å; D208-R211 IonicContact OD2-CZ 3.2Å; D208-R211 IonicContact OD2-NE 3.78Å; D208-R211 PolarHBondContact OD2-NE 2.79Å; D208-R211 VanDerWaalsContact OD2-NE 3.08Å; D208-R211 IonicContact OD2-NH2 2.78Å; D208-R211 PolarHBondContact OD2-NH2 3.19Å
209	G	95.3	Very high	94.3	Very high	70 Å²	70	88.4 Å²	88.4	72%	0.722	52%	0.524	S	S	*	.	S	Bend	trans	92.8	-23.9	-175.8	0	0	0	0	0	113.9	S207	S207-G209 VanDerWaalsContact C-N 3.34Å; S207-G209 PolarHBondContact OG-N 3.46Å
210	T	96.6	Very high	94.3	Very high	123 Å²	123	87.5 Å²	87.5	76%	0.755	51%	0.508	S	S	*	.	S	Bend	trans	-111.1	-30.2	178	63.3	0	0	0	0	113	D208	D208-T210 VanDerWaalsContact C-N 3.33Å; D208-T210 WeakPolarHBondContact OD1-CA 3.28Å; D208-T210 PolarHBondContact OD1-N 3.44Å; D208-T210 PolarHBondContact OD1-OG1 3.48Å
211	R	97.1	Very high	94.2	Very high	178 Å²	178	88.1 Å²	88.1	67%	0.672	51%	0.512	S	S	*	.			trans	-134.7	152.5	-178.5	-59.7	172.4	-62.1	176.1	3.3	109	S207 D208	S207-R211 VanDerWaalsContact CA-O 3.27Å; S207-R211 WeakPolarHBondContact CA-O 3.25Å; S207-R211 PolarHBondContact OG-O 3.22Å; S207-R211 VanDerWaalsContact OG-O 3.09Å; D208-R211 PolarHBondContact N-O 3.08Å; D208-R211 VanDerWaalsContact N-O 3.07Å; D208-R211 PolarHBondContact OD1-N 3.15Å; D208-R211 IonicContact OD2-CZ 3.2Å; D208-R211 IonicContact OD2-NE 3.78Å; D208-R211 PolarHBondContact OD2-NE 2.79Å; D208-R211 VanDerWaalsContact OD2-NE 3.08Å; D208-R211 IonicContact OD2-NH2 2.78Å; D208-R211 PolarHBondContact OD2-NH2 3.19Å
212	C	97	Very high	94.3	Very high	65 Å²	65	93.6 Å²	93.6	44%	0.439	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.3	172.6	64.6	0	0	0	0	111.9	L205 V206	L205-C212 HydrophobicContact CD1-CB 3.77Å; L205-C212 HydrophobicContact CG-CB 4.15Å; V206-C212 CarbonylContact O-C 3.53Å; V206-C212 WeakPolarHBondContact O-CA 3.19Å; V206-C212 WeakPolarHBondContact O-CB 3.47Å
213	L	97	Very high	94.2	Very high	94 Å²	94	95.3 Å²	95.3	49%	0.492	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.6	173.2	179.7	62.3	0	0	0	109.4	V206 L228	V206-L213 HydrophobicContact CB-CB 4.18Å; V206-L213 PolarHBondContact O-N 2.75Å; L213-L228 HydrophobicContact CD2-CD1 3.91Å
214	L	96.9	Very high	94.2	Very high	76 Å²	76	93.8 Å²	93.8	40%	0.398	54%	0.54	S	S	.	.			trans	-122.8	145.4	170.7	-55.6	174.5	0	0	0	109.4	L205 S226	L205-L214 HydrophobicContact CD1-CD2 3.83Å; L214-S226 WeakPolarHBondContact CA-O 3.27Å
215	A	95.2	Very high	94.2	Very high	42 Å²	42	96.8 Å²	96.8	35%	0.347	55%	0.545	S	S	.	.	B	Isolated β-bridge	trans	-121.2	166.5	176	0	0	0	0	0	110.6	S226 L228	A215-S226 PolarHBondContact N-O 2.93Å; A215-S226 PolarHBondContact O-N 2.78Å; A215-L228 HydrophobicContact CB-CD2 3.57Å
216	R	94.8	Very high	94	Very high	105 Å²	105	93.9 Å²	93.9	40%	0.396	53%	0.533	S	S	.	.			trans	-140.7	148.4	172.8	66	171.3	-66.2	-172.8	2.7	111	F220 Y225	R216-F220 HydrophobicContact CB-CD2 4.27Å; R216-F220 PolarHBondContact NH2-O 2.82Å; R216-Y225 HydrophobicContact CB-CD1 4Å; R216-Y225 HydrophobicContact CB-CE1 4.24Å; R216-Y225 HydrophobicContact CG-CD1 4.17Å; R216-Y225 HydrophobicContact CG-CE1 3.9Å
217	Q	91.9	Very high	94	Very high	111 Å²	111	91.2 Å²	91.2	52%	0.519	52%	0.519	S	S	.	.			trans	-96.9	161.6	170.1	-64.1	177.8	-9	0	0	110.2	S219 F220	Q217-S219 PolarHBondContact O-N 2.86Å; Q217-F220 HydrophobicContact CB-CD1 3.88Å; Q217-F220 HydrophobicContact CB-CE1 3.92Å; Q217-F220 HydrophobicContact CB-CG 4.37Å; Q217-F220 HydrophobicContact CB-CZ 4.45Å; Q217-F220 HydrophobicContact CG-CE1 4.2Å; Q217-F220 HydrophobicContact CG-CZ 4.38Å; Q217-F220 WeakPolarHBondContact O-CB 3.16Å; Q217-F220 PolarHBondContact O-N 3.09Å; Q217-F220 VanDerWaalsContact O-N 3.16Å
218	S	91.6	Very high	94	Very high	128 Å²	128	89.9 Å²	89.9	90%	0.895	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.3	177.9	54.1	0	0	0	0	112.9	F220	S218-F220 VanDerWaalsContact C-N 3.29Å; S218-F220 PolarHBondContact O-N 3.07Å
219	S	89.4	Confident	93.8	Very high	90 Å²	90	87.8 Å²	87.8	63%	0.629	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-12.6	178.5	59.1	0	0	0	0	114.3	Q217	Q217-S219 PolarHBondContact O-N 2.86Å
220	F	88.4	Confident	93.6	Very high	49 Å²	49	84.8 Å²	84.8	22%	0.215	47%	0.47	C	S	.	.	S	Bend	trans	-76	141.6	-176.3	-75.7	18	0	0	0	111	R216 Q217 S218 M224	R216-F220 HydrophobicContact CB-CD2 4.27Å; R216-F220 PolarHBondContact NH2-O 2.82Å; Q217-F220 HydrophobicContact CB-CD1 3.88Å; Q217-F220 HydrophobicContact CB-CE1 3.92Å; Q217-F220 HydrophobicContact CB-CG 4.37Å; Q217-F220 HydrophobicContact CB-CZ 4.45Å; Q217-F220 HydrophobicContact CG-CE1 4.2Å; Q217-F220 HydrophobicContact CG-CZ 4.38Å; Q217-F220 WeakPolarHBondContact O-CB 3.16Å; Q217-F220 PolarHBondContact O-N 3.09Å; Q217-F220 VanDerWaalsContact O-N 3.16Å; S218-F220 VanDerWaalsContact C-N 3.29Å; S218-F220 PolarHBondContact O-N 3.07Å; F220-M224 HydrophobicContact CB-CE 3.87Å; F220-M224 HydrophobicContact CD1-CE 4.01Å; F220-M224 HydrophobicContact CD2-CE 3.49Å; F220-M224 VanDerWaalsContact CD2-CE 3.49Å; F220-M224 HydrophobicContact CE1-CE 4.44Å; F220-M224 HydrophobicContact CE2-CE 3.97Å; F220-M224 HydrophobicContact CG-CE 3.51Å; F220-M224 HydrophobicContact CZ-CE 4.42Å
221	P	88.5	Confident	93.4	Very high	83 Å²	83	84.6 Å²	84.6	54%	0.539	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-50.9	147.9	170.6	-26.4	35.1	0	0	0	112.2	G223 M224	P221-G223 PolarHBondContact O-N 2.93Å; P221-M224 HydrophobicContact CB-CB 4.42Å; P221-M224 HydrophobicContact CG-SD 4.33Å; P221-M224 WeakPolarHBondContact O-CB 3.36Å; P221-M224 PolarHBondContact O-N 3.01Å
222	K	92.7	Very high	93	Very high	202 Å²	202	77.7 Å²	77.7	88%	0.878	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	132.9	178.1	-67.6	-176	-179.6	179.9	0	109.9	M224	K222-M224 VanDerWaalsContact C-N 3.3Å
223	G	92.2	Very high	92.4	Very high	62 Å²	62	79 Å²	79	64%	0.639	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-5.9	-178.1	0	0	0	0	0	115	P221 Y225	P221-G223 PolarHBondContact O-N 2.93Å; G223-Y225 WeakPolarHBondContact O-CD2 3.22Å
224	M	92.8	Very high	91.5	Very high	87 Å²	87	82.2 Å²	82.2	43%	0.429	46%	0.456	S	S	.	.			trans	-89.2	125.4	176.8	-164.9	176	87.5	0	0	111.4	F220 P221 K222	F220-M224 HydrophobicContact CB-CE 3.87Å; F220-M224 HydrophobicContact CD1-CE 4.01Å; F220-M224 HydrophobicContact CD2-CE 3.49Å; F220-M224 VanDerWaalsContact CD2-CE 3.49Å; F220-M224 HydrophobicContact CE1-CE 4.44Å; F220-M224 HydrophobicContact CE2-CE 3.97Å; F220-M224 HydrophobicContact CG-CE 3.51Å; F220-M224 HydrophobicContact CZ-CE 4.42Å; P221-M224 HydrophobicContact CB-CB 4.42Å; P221-M224 HydrophobicContact CG-SD 4.33Å; P221-M224 WeakPolarHBondContact O-CB 3.36Å; P221-M224 PolarHBondContact O-N 3.01Å; K222-M224 VanDerWaalsContact C-N 3.3Å
225	Y	94.9	Very high	90.5	Very high	128 Å²	128	81.8 Å²	81.8	50%	0.502	46%	0.464	S	S	.	.			trans	-127.9	151.3	175	-66.7	-98.8	0	0	0	109.3	R216 G223	R216-Y225 HydrophobicContact CB-CD1 4Å; R216-Y225 HydrophobicContact CB-CE1 4.24Å; R216-Y225 HydrophobicContact CG-CD1 4.17Å; R216-Y225 HydrophobicContact CG-CE1 3.9Å; G223-Y225 WeakPolarHBondContact O-CD2 3.22Å
226	S	94.1	Very high	89	Confident	44 Å²	44	89.2 Å²	89.2	31%	0.308	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-135.6	159.9	-179.3	-179.1	0	0	0	0	111	L214 A215	L214-S226 WeakPolarHBondContact CA-O 3.27Å; A215-S226 PolarHBondContact N-O 2.93Å; A215-S226 PolarHBondContact O-N 2.78Å
227	A	96.1	Very high	87.5	Confident	20 Å²	20	93.4 Å²	93.4	17%	0.165	50%	0.5	C	S	.	.			trans	-57.8	157.7	162.5	0	0	0	0	0	110.8	I203 L205	I203-A227 HydrophobicContact CD1-CB 4.26Å; I203-A227 HydrophobicContact CG1-CB 3.92Å; L205-A227 HydrophobicContact CB-CB 4.38Å; L205-A227 HydrophobicContact CD1-CB 4.24Å
228	L	94.9	Very high	86.1	Confident	42 Å²	42	90.4 Å²	90.4	22%	0.22	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	137.6	179.4	-61.1	176.6	0	0	0	109.9	I203 T204 V206 L213 A215 L240	I203-L228 CarbonylContact C-O 3.56Å; I203-L228 WeakPolarHBondContact CA-O 3.47Å; T204-L228 PolarHBondContact N-O 3.09Å; T204-L228 PolarHBondContact O-N 3Å; V206-L228 HydrophobicContact CG2-CD1 4.44Å; L213-L228 HydrophobicContact CD2-CD1 3.91Å; A215-L228 HydrophobicContact CB-CD2 3.57Å; L228-L240 HydrophobicContact CB-CD2 4.46Å; L228-L240 HydrophobicContact CD1-CD1 4.31Å
229	A	93.1	Very high	84.9	Confident	44 Å²	44	87.8 Å²	87.8	36%	0.364	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.4	178.1	0	0	0	0	0	111.4	V201 A202 I203	V201-A229 HydrophobicContact CG1-CB 4.43Å; A202-A229 CarbonylContact O-C 3.59Å; A202-A229 WeakPolarHBondContact O-CA 3.39Å; I203-A229 HydrophobicContact CB-CB 4.29Å; I203-A229 HydrophobicContact CG1-CB 4.35Å
230	G	90.6	Very high	83.5	Confident	7 Å²	7	87.5 Å²	87.5	7%	0.072	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	155.4	-177.5	0	0	0	0	0	112.8	V201 A202 V239	V201-G230 WeakPolarHBondContact CA-O 3.29Å; V201-G230 WeakPolarHBondContact CG1-O 3.25Å; A202-G230 PolarHBondContact N-O 3.01Å; A202-G230 PolarHBondContact O-N 2.88Å; G230-V239 VanDerWaalsContact CA-O 3.25Å; G230-V239 WeakPolarHBondContact CA-O 3.25Å
231	F	91.8	Very high	82	Confident	120 Å²	120	93.4 Å²	93.4	53%	0.526	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	143.9	174.2	-68.5	-71.8	0	0	0	110.2	A199 V201 V239	A199-F231 HydrophobicContact CB-CD1 3.97Å; A199-F231 HydrophobicContact CB-CE1 3.84Å; V201-F231 HydrophobicContact CG2-CD1 3.53Å; V201-F231 HydrophobicContact CG2-CE1 3.62Å; V201-F231 HydrophobicContact CG2-CG 4.43Å; F231-V239 PolarHBondContact O-N 2.77Å
232	C	88.5	Confident	81.6	Confident	32 Å²	32	93.9 Å²	93.9	22%	0.216	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.2	168.8	-55.8	0	0	0	0	109.3	P200	P200-C232 HydrophobicContact CB-CB 4.18Å; P200-C232 HydrophobicContact CG-CB 3.97Å; P200-C232 PolarHBondContact O-N 3.34Å
233	D	85.9	Confident	81.1	Confident	93 Å²	93	88.2 Å²	88.2	50%	0.497	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-72.2	170.9	170.8	-163.2	0.1	0	0	0	110.9	A235 Y236 R237 V239	D233-A235 PolarHBondContact O-N 3.33Å; D233-Y236 WeakPolarHBondContact O-CA 3.36Å; D233-Y236 PolarHBondContact O-N 2.97Å; D233-R237 PolarHBondContact N-O 3.14Å; D233-V239 HydrophobicContact CB-CG2 4.31Å
234	I	78.3	Confident	80.4	Confident	162 Å²	162	89.7 Å²	89.7	83%	0.831	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.1	-177.7	-67	167.9	0	0	0	112.4	Y236	I234-Y236 VanDerWaalsContact C-N 3.33Å
235	A	74.5	Confident	79.7	Confident	67 Å²	67	89.8 Å²	89.8	55%	0.554	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	17.2	174.8	0	0	0	0	0	114.2	D233 R237	D233-A235 PolarHBondContact O-N 3.33Å; A235-R237 PolarHBondContact O-N 2.88Å; A235-R237 VanDerWaalsContact O-N 3.14Å
236	Y	64	Low	78.8	Confident	198 Å²	198	87.4 Å²	87.4	78%	0.776	47%	0.466	S	S	*	.	S	Bend	trans	56.9	22.6	-176	-56	-84.1	0	0	0	114.7	D233 I234	D233-Y236 WeakPolarHBondContact O-CA 3.36Å; D233-Y236 PolarHBondContact O-N 2.97Å; I234-Y236 VanDerWaalsContact C-N 3.33Å
237	R	62.5	Low	77.8	Confident	193 Å²	193	90.3 Å²	90.3	73%	0.728	48%	0.477	S	S	*	.			trans	-84.1	121.8	171	-67.4	-178.8	178	174.9	-0.9	108.2	D233 A235 V239	D233-R237 PolarHBondContact N-O 3.14Å; A235-R237 PolarHBondContact O-N 2.88Å; A235-R237 VanDerWaalsContact O-N 3.14Å; R237-V239 PolarHBondContact O-N 3.03Å
238	A	63.7	Low	76.4	Confident	48 Å²	48	95.4 Å²	95.4	40%	0.397	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	121.4	174.7	0	0	0	0	0	109.2	A202 L240	A202-A238 HydrophobicContact CB-CB 4.05Å; A238-L240 HydrophobicContact CB-CD2 4.48Å
239	V	65.4	Low	75	Confident	72 Å²	72	99.5 Å²	99.5	44%	0.436	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	103.5	168	-175.5	0	0	0	0	106.3	G230 F231 D233 R237	G230-V239 VanDerWaalsContact CA-O 3.25Å; G230-V239 WeakPolarHBondContact CA-O 3.25Å; F231-V239 PolarHBondContact O-N 2.77Å; D233-V239 HydrophobicContact CB-CG2 4.31Å; R237-V239 PolarHBondContact O-N 3.03Å
240	L	61.6	Low	73.5	Confident	85 Å²	85	104.1 Å²	104.1	45%	0.445	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124.9	177.8	-59.4	177.4	0	0	0	108.4	L228 A238	L228-L240 HydrophobicContact CB-CD2 4.46Å; L228-L240 HydrophobicContact CD1-CD1 4.31Å; A238-L240 HydrophobicContact CB-CD2 4.48Å
241	N	55.4	Low	72	Confident	172 Å²	172	112.9 Å²	112.9	92%	0.92	58%	0.575	S	S	*	*			trans	-105.8	0	177.4	-70.4	-35.4	0	0	0	111.2

Retrieved 241 of 241 residues in 237.5 ms (Link to these results)

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