A0A077Z337_TRITR Loading...

ATP-dependent (S)-NAD(P)H-hydrate dehydratase

Catalyzes the dehydration of the S-form of NAD(P)HX at the expense of ATP, which is converted to ADP. Together with NAD(P)HX epimerase, which catalyzes the epimerization of the S- and R-forms, the enzyme allows the repair of both epimers of NAD(P)HX, a damaged form of NAD(P)H that is a result of enzymatic or heat-dependent hydration.

AlphaFold DB , UniProt , Accession A0A077Z337, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 329 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	38.1	Very low	45.9	Very low	242 Å²	242	95.9 Å²	95.9	100%	1.192	54%	0.543	S	S	*	.				0	89.2	0	-119.9	-175.4	-95.4	0	0	106.6
2	V	42.8	Very low	46.3	Very low	133 Å²	133	91.9 Å²	91.9	81%	0.806	52%	0.522	S	S	*	.			trans	-82	118.4	168.1	-176.6	0	0	0	0	104.8	D6	V2-D6 HydrophobicContact CG1-CB 4.31Å
3	G	41.3	Very low	46.8	Very low	34 Å²	34	88.8 Å²	88.8	35%	0.351	51%	0.51	S	S	.	.			trans	-66.4	144.2	-164.3	0	0	0	0	0	112	G5 D6	G3-G5 PolarHBondContact O-N 3.03Å; G3-D6 PolarHBondContact O-N 3.18Å
4	F	44.5	Very low	47.1	Very low	185 Å²	185	87.8 Å²	87.8	81%	0.811	50%	0.498	S	S	*	.	H	α-helix	trans	-48.4	-30.7	170.6	-111.2	-98.4	0	0	0	112.5	L8	F4-L8 WeakPolarHBondContact O-CG 3.44Å; F4-L8 PolarHBondContact O-N 3.45Å
5	G	41.1	Very low	47.4	Very low	40 Å²	40	82.7 Å²	82.7	41%	0.412	47%	0.469	S	S	.	.	H	α-helix	trans	-64.3	-40	175.6	0	0	0	0	0	114.4	G3 L8 Q9	G3-G5 PolarHBondContact O-N 3.03Å; G5-L8 PolarHBondContact O-N 2.85Å; G5-Q9 WeakPolarHBondContact O-CB 3.35Å; G5-Q9 WeakPolarHBondContact O-CG 3.4Å; G5-Q9 PolarHBondContact O-N 2.86Å
6	D	48.4	Very low	47.7	Very low	97 Å²	97	85.1 Å²	85.1	52%	0.519	47%	0.474	S	S	.	.	H	α-helix	trans	-70.2	-36.8	-178.5	-64.7	-26.4	0	0	0	111.3	V2 G3 S10	V2-D6 HydrophobicContact CG1-CB 4.31Å; G3-D6 PolarHBondContact O-N 3.18Å; D6-S10 WeakPolarHBondContact O-CB 3.44Å; D6-S10 PolarHBondContact O-N 3.08Å
7	A	50	Low	47.6	Very low	51 Å²	51	86 Å²	86	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-68	-40.5	177.1	0	0	0	0	0	112.1	A11	A7-A11 WeakPolarHBondContact O-CB 3.41Å; A7-A11 PolarHBondContact O-N 2.69Å
8	L	46.6	Very low	47.7	Very low	69 Å²	69	83.2 Å²	83.2	36%	0.361	46%	0.457	S	S	.	.	H	α-helix	trans	-66.1	-48.6	175.2	-75.7	165.8	0	0	0	111.1	F4 G5 S10 A11 T12	F4-L8 WeakPolarHBondContact O-CG 3.44Å; F4-L8 PolarHBondContact O-N 3.45Å; G5-L8 PolarHBondContact O-N 2.85Å; L8-S10 VanDerWaalsContact C-N 3.34Å; L8-S10 PolarHBondContact O-N 3.35Å; L8-A11 PolarHBondContact O-N 3.48Å; L8-T12 PolarHBondContact O-N 3.33Å; L8-T12 PolarHBondContact O-OG1 3.28Å
9	Q	46.7	Very low	47.7	Very low	144 Å²	144	81.1 Å²	81.1	67%	0.673	45%	0.445	S	S	*	.	H	α-helix	trans	-62	-40.3	178.4	-73.7	-176.8	-2.2	0	0	112.4	G5 S13	G5-Q9 WeakPolarHBondContact O-CB 3.35Å; G5-Q9 WeakPolarHBondContact O-CG 3.4Å; G5-Q9 PolarHBondContact O-N 2.86Å; Q9-S13 WeakPolarHBondContact O-CB 3.33Å; Q9-S13 PolarHBondContact O-N 3.34Å
10	S	53.3	Low	47.7	Very low	54 Å²	54	82.1 Å²	82.1	38%	0.378	45%	0.453	S	S	.	.	H	α-helix	trans	-61.5	-45.8	174.6	167.8	0	0	0	0	112.6	D6 L8 Q14	D6-S10 WeakPolarHBondContact O-CB 3.44Å; D6-S10 PolarHBondContact O-N 3.08Å; L8-S10 VanDerWaalsContact C-N 3.34Å; L8-S10 PolarHBondContact O-N 3.35Å; S10-Q14 PolarHBondContact O-N 3.12Å; S10-Q14 VanDerWaalsContact O-N 3.1Å
11	A	51.6	Low	47.4	Very low	6 Å²	6	85.1 Å²	85.1	5%	0.05	47%	0.468	C	S	.	.	H	α-helix	trans	-66.6	-47.4	179.5	0	0	0	0	0	111.9	A7 L8 S13 Q14 F15 L302 S326	A7-A11 WeakPolarHBondContact O-CB 3.41Å; A7-A11 PolarHBondContact O-N 2.69Å; L8-A11 PolarHBondContact O-N 3.48Å; A11-S13 PolarHBondContact O-N 3.46Å; A11-Q14 PolarHBondContact O-N 3.05Å; A11-F15 PolarHBondContact O-N 2.87Å; A11-L302 HydrophobicContact CB-CD2 4.41Å; A11-S326 PolarHBondContact O-OG 2.93Å
12	T	51.5	Low	47.8	Very low	48 Å²	48	76.3 Å²	76.3	29%	0.294	44%	0.44	S	S	.	.	H	α-helix	trans	-62	-42.1	177.5	-52.6	0	0	0	0	111.4	L8 F15 Q16	L8-T12 PolarHBondContact O-N 3.33Å; L8-T12 PolarHBondContact O-OG1 3.28Å; T12-F15 PolarHBondContact O-N 2.64Å; T12-Q16 WeakPolarHBondContact O-CB 3.31Å; T12-Q16 WeakPolarHBondContact O-CG 3.27Å; T12-Q16 PolarHBondContact O-N 3.09Å
13	S	52.6	Low	48.7	Very low	52 Å²	52	70.3 Å²	70.3	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-59.7	-46	176.6	167.3	0	0	0	0	112.4	Q9 A11 Q17	Q9-S13 WeakPolarHBondContact O-CB 3.33Å; Q9-S13 PolarHBondContact O-N 3.34Å; A11-S13 PolarHBondContact O-N 3.46Å; S13-Q17 VanDerWaalsContact O-CG 3.28Å; S13-Q17 WeakPolarHBondContact O-CG 3.3Å; S13-Q17 PolarHBondContact O-N 2.82Å
14	Q	51.6	Low	50.3	Low	74 Å²	74	72.4 Å²	72.4	35%	0.346	40%	0.404	S	S	.	.	H	α-helix	trans	-73.5	-31.7	-179.6	-72.9	-175.2	8.1	0	0	113.1	S10 A11 Q17 F18	S10-Q14 PolarHBondContact O-N 3.12Å; S10-Q14 VanDerWaalsContact O-N 3.1Å; A11-Q14 PolarHBondContact O-N 3.05Å; Q14-Q17 WeakPolarHBondContact O-CB 3.01Å; Q14-Q17 PolarHBondContact O-N 3.22Å; Q14-F18 PolarHBondContact O-N 3.14Å
15	F	51.7	Low	52	Low	12 Å²	12	68.2 Å²	68.2	5%	0.053	40%	0.395	C	S	.	.	H	α-helix	trans	-73.9	-39.1	174.4	-171.3	-106.1	0	0	0	112.2	A11 T12 Q17 F18 L19 T31 S326 L327	A11-F15 PolarHBondContact O-N 2.87Å; T12-F15 PolarHBondContact O-N 2.64Å; F15-Q17 VanDerWaalsContact C-N 3.25Å; F15-Q17 PolarHBondContact O-N 3.3Å; F15-F18 HydrophobicContact CD2-CD1 4.47Å; F15-F18 HydrophobicContact CE2-CD1 4.06Å; F15-F18 PolarHBondContact O-N 2.64Å; F15-F18 VanDerWaalsContact O-N 3.11Å; F15-L19 HydrophobicContact CD1-CD1 3.97Å; F15-L19 HydrophobicContact CD1-CG 4.37Å; F15-L19 HydrophobicContact CE1-CD1 3.46Å; F15-L19 VanDerWaalsContact CE1-CD1 3.46Å; F15-L19 HydrophobicContact CE1-CG 3.9Å; F15-L19 HydrophobicContact CZ-CD1 4.09Å; F15-L19 HydrophobicContact CZ-CD2 4.33Å; F15-L19 HydrophobicContact CZ-CG 4.11Å; F15-L19 PolarHBondContact O-N 3.29Å; F15-T31 HydrophobicContact CZ-CG2 4Å; F15-S326 WeakPolarHBondContact CD1-O 3.26Å; F15-S326 WeakPolarHBondContact CG-O 3.48Å; F15-L327 HydrophobicContact CD2-CD2 3.51Å; F15-L327 HydrophobicContact CE1-CD2 4.45Å; F15-L327 HydrophobicContact CE2-CD2 3.12Å; F15-L327 HydrophobicContact CE2-CG 4.4Å; F15-L327 HydrophobicContact CG-CD2 4.34Å; F15-L327 HydrophobicContact CZ-CD2 3.65Å
16	Q	51.1	Low	53.9	Low	120 Å²	120	68 Å²	68	56%	0.561	39%	0.387	S	S	*	.	H	α-helix	trans	-56.7	-43.7	167.4	-76.5	179.3	-17.6	0	0	110	T12 F18 L19 T20	T12-Q16 WeakPolarHBondContact O-CB 3.31Å; T12-Q16 WeakPolarHBondContact O-CG 3.27Å; T12-Q16 PolarHBondContact O-N 3.09Å; Q16-F18 PolarHBondContact O-N 3.2Å; Q16-L19 CarbonylContact O-C 3.6Å; Q16-L19 PolarHBondContact O-N 2.92Å; Q16-T20 WeakPolarHBondContact O-CB 3.04Å; Q16-T20 VanDerWaalsContact O-CG2 3.28Å; Q16-T20 WeakPolarHBondContact O-CG2 3.15Å; Q16-T20 PolarHBondContact O-N 2.94Å; Q16-T20 PolarHBondContact O-OG1 2.9Å
17	Q	45.7	Very low	55.9	Low	101 Å²	101	63.3 Å²	63.3	47%	0.472	36%	0.362	S	S	.	.	H	α-helix	trans	-60.1	-37.5	173.1	-75.5	172.3	-3.2	0	0	113.9	S13 Q14 F15 T20 L21	S13-Q17 VanDerWaalsContact O-CG 3.28Å; S13-Q17 WeakPolarHBondContact O-CG 3.3Å; S13-Q17 PolarHBondContact O-N 2.82Å; Q14-Q17 WeakPolarHBondContact O-CB 3.01Å; Q14-Q17 PolarHBondContact O-N 3.22Å; F15-Q17 VanDerWaalsContact C-N 3.25Å; F15-Q17 PolarHBondContact O-N 3.3Å; Q17-T20 WeakPolarHBondContact CA-OG1 3.49Å; Q17-T20 PolarHBondContact O-N 3.1Å; Q17-L21 WeakPolarHBondContact O-CA 3.4Å; Q17-L21 WeakPolarHBondContact O-CB 3.47Å; Q17-L21 PolarHBondContact O-N 3.08Å
18	F	49.9	Very low	57.6	Low	36 Å²	36	65.8 Å²	65.8	16%	0.158	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-43.9	173.9	176.2	-102.3	0	0	0	112	Q14 F15 Q16 G22 G23 N27 L240	Q14-F18 PolarHBondContact O-N 3.14Å; F15-F18 HydrophobicContact CD2-CD1 4.47Å; F15-F18 HydrophobicContact CE2-CD1 4.06Å; F15-F18 PolarHBondContact O-N 2.64Å; F15-F18 VanDerWaalsContact O-N 3.11Å; Q16-F18 PolarHBondContact O-N 3.2Å; F18-G22 PolarHBondContact O-N 3.43Å; F18-G23 PolarHBondContact O-N 3.24Å; F18-N27 HydrophobicContact CZ-CB 4.42Å; F18-L240 HydrophobicContact CD1-CD2 3.71Å; F18-L240 HydrophobicContact CD2-CD2 3.78Å; F18-L240 HydrophobicContact CE1-CD2 3.64Å; F18-L240 HydrophobicContact CE2-CD2 3.71Å; F18-L240 HydrophobicContact CG-CD2 3.77Å; F18-L240 HydrophobicContact CZ-CD2 3.63Å; F18-L240 HydrophobicContact CZ-CG 4.42Å
19	L	47.4	Very low	59.7	Low	43 Å²	43	66.3 Å²	66.3	23%	0.225	36%	0.362	C	S	.	.	H	α-helix	trans	-69.6	-34.8	176.8	-70.6	178.6	0	0	0	112.8	F15 Q16 R28 T31	F15-L19 HydrophobicContact CD1-CD1 3.97Å; F15-L19 HydrophobicContact CD1-CG 4.37Å; F15-L19 HydrophobicContact CE1-CD1 3.46Å; F15-L19 VanDerWaalsContact CE1-CD1 3.46Å; F15-L19 HydrophobicContact CE1-CG 3.9Å; F15-L19 HydrophobicContact CZ-CD1 4.09Å; F15-L19 HydrophobicContact CZ-CD2 4.33Å; F15-L19 HydrophobicContact CZ-CG 4.11Å; F15-L19 PolarHBondContact O-N 3.29Å; Q16-L19 CarbonylContact O-C 3.6Å; Q16-L19 PolarHBondContact O-N 2.92Å; L19-R28 HydrophobicContact CD2-CG 4.23Å; L19-R28 VanDerWaalsContact O-CD 3.31Å; L19-R28 WeakPolarHBondContact O-CD 3.43Å; L19-T31 HydrophobicContact CD2-CG2 4.29Å
20	T	48.7	Very low	61.9	Low	100 Å²	100	59.5 Å²	59.5	61%	0.613	33%	0.33	S	S	*	.	H	α-helix	trans	-91.3	-25.5	-175.7	60.3	0	0	0	0	114	Q16 Q17	Q16-T20 WeakPolarHBondContact O-CB 3.04Å; Q16-T20 VanDerWaalsContact O-CG2 3.28Å; Q16-T20 WeakPolarHBondContact O-CG2 3.15Å; Q16-T20 PolarHBondContact O-N 2.94Å; Q16-T20 PolarHBondContact O-OG1 2.9Å; Q17-T20 WeakPolarHBondContact CA-OG1 3.49Å; Q17-T20 PolarHBondContact O-N 3.1Å
21	L	40.7	Very low	63.7	Low	146 Å²	146	57.2 Å²	57.2	76%	0.764	31%	0.314	S	S	*	.	H	α-helix	trans	-133.8	1.8	-167.8	-71.3	167.2	0	0	0	116.9	Q17	Q17-L21 WeakPolarHBondContact O-CA 3.4Å; Q17-L21 WeakPolarHBondContact O-CB 3.47Å; Q17-L21 PolarHBondContact O-N 3.08Å
22	G	47	Very low	65.7	Low	58 Å²	58	65.7 Å²	65.7	60%	0.598	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-163.4	-13	-177.7	0	0	0	0	0	122	F18	F18-G22 PolarHBondContact O-N 3.43Å
23	G	60.6	Low	67.6	Low	6 Å²	6	65.3 Å²	65.3	6%	0.062	34%	0.34	C	S	.	.			trans	-69.1	148.6	179.3	0	0	0	0	0	113.8	F18 R28	F18-G23 PolarHBondContact O-N 3.24Å; G23-R28 PolarHBondContact O-NH1 2.82Å
24	K	76.3	Confident	69.6	Low	79 Å²	79	62.9 Å²	62.9	34%	0.343	32%	0.323	S	S	.	.			trans	-53.7	144.2	166.3	-68.9	-177.7	176.1	-179.3	0	109.8	S26 N27 R28 E205	K24-S26 WeakPolarHBondContact CB-OG 3.48Å; K24-S26 PolarHBondContact O-N 3.15Å; K24-S26 VanDerWaalsContact O-N 3.17Å; K24-N27 PolarHBondContact O-N 3.22Å; K24-R28 PolarHBondContact O-N 3.25Å; K24-E205 IonicContact NZ-OE1 3.97Å; K24-E205 PolarHBondContact NZ-OE1 3.5Å
25	P	79.4	Confident	71.7	Confident	96 Å²	96	63.4 Å²	63.4	62%	0.623	32%	0.322	S	S	*	.	H	α-helix	trans	-52.3	-37.1	177.3	-26.8	33.7	0	0	0	113.9	N27 R28 M29	P25-N27 PolarHBondContact O-N 2.73Å; P25-R28 PolarHBondContact O-N 3.05Å; P25-M29 PolarHBondContact O-N 3Å; P25-M29 VanDerWaalsContact O-N 3.11Å
26	S	81.7	Confident	73.6	Confident	35 Å²	35	67.2 Å²	67.2	25%	0.245	34%	0.343	C	S	.	.	H	α-helix	trans	-55.4	-46.1	172.4	45.3	0	0	0	0	113	K24 R28 M29 A30 Y282	K24-S26 WeakPolarHBondContact CB-OG 3.48Å; K24-S26 PolarHBondContact O-N 3.15Å; K24-S26 VanDerWaalsContact O-N 3.17Å; S26-R28 PolarHBondContact O-N 3.33Å; S26-M29 PolarHBondContact O-N 3.05Å; S26-A30 WeakPolarHBondContact O-CB 3.3Å; S26-A30 PolarHBondContact O-N 2.84Å; S26-Y282 WeakPolarHBondContact CB-OH 3.47Å
27	N	88.9	Confident	75.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.3	-36.7	-177.8	-68.9	10	0	0	0	111.5	F18 K24 P25 T31 I236 Q237 D239 F290	F18-N27 HydrophobicContact CZ-CB 4.42Å; K24-N27 PolarHBondContact O-N 3.22Å; P25-N27 PolarHBondContact O-N 2.73Å; N27-T31 VanDerWaalsContact O-CB 3.31Å; N27-T31 WeakPolarHBondContact O-CB 3.38Å; N27-T31 PolarHBondContact O-N 2.86Å; N27-T31 PolarHBondContact O-OG1 3.15Å; N27-I236 WeakPolarHBondContact OD1-CG1 3.48Å; N27-Q237 PolarHBondContact ND2-O 3.21Å; N27-Q237 PolarHBondContact OD1-O 3.31Å; N27-Q237 VanDerWaalsContact OD1-O 3.13Å; N27-D239 PolarHBondContact ND2-OD1 2.87Å; N27-F290 HydrophobicContact CB-CE2 4.37Å; N27-F290 HydrophobicContact CB-CZ 3.98Å
28	R	87.3	Confident	77.9	Confident	102 Å²	102	58 Å²	58	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-64.7	-44.5	173.6	-70.1	-166.7	-65.7	-86.7	-2.4	111.8	L19 G23 K24 P25 S26 T31 R32	L19-R28 HydrophobicContact CD2-CG 4.23Å; L19-R28 VanDerWaalsContact O-CD 3.31Å; L19-R28 WeakPolarHBondContact O-CD 3.43Å; G23-R28 PolarHBondContact O-NH1 2.82Å; K24-R28 PolarHBondContact O-N 3.25Å; P25-R28 PolarHBondContact O-N 3.05Å; S26-R28 PolarHBondContact O-N 3.33Å; R28-T31 PolarHBondContact O-N 3.27Å; R28-R32 PolarHBondContact O-N 2.9Å; R28-R32 VanDerWaalsContact O-N 3.14Å
29	M	90	Very high	80	Confident	81 Å²	81	57.2 Å²	57.2	40%	0.399	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-50.6	177.2	-175	174.9	76.5	0	0	111.2	P25 S26 T31 R32 M33 Y282	P25-M29 PolarHBondContact O-N 3Å; P25-M29 VanDerWaalsContact O-N 3.11Å; S26-M29 PolarHBondContact O-N 3.05Å; M29-T31 VanDerWaalsContact C-N 3.34Å; M29-T31 PolarHBondContact O-N 3.26Å; M29-R32 WeakPolarHBondContact O-CB 3.35Å; M29-R32 PolarHBondContact O-N 2.72Å; M29-M33 HydrophobicContact CG-SD 4.18Å; M29-M33 WeakPolarHBondContact O-CG 3.48Å; M29-M33 PolarHBondContact O-N 3.49Å; M29-Y282 HydrophobicContact CE-CD2 4.07Å; M29-Y282 HydrophobicContact CE-CE2 3.5Å
30	A	92.8	Very high	82.1	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-42.5	178.1	0	0	0	0	0	112.1	S26 R32 M33 V34 I236 Y282 L287 F290	S26-A30 WeakPolarHBondContact O-CB 3.3Å; S26-A30 PolarHBondContact O-N 2.84Å; A30-R32 VanDerWaalsContact C-N 3.32Å; A30-R32 PolarHBondContact O-N 3.33Å; A30-M33 PolarHBondContact O-N 3.03Å; A30-V34 VanDerWaalsContact O-CG2 3.29Å; A30-V34 WeakPolarHBondContact O-CG2 3.39Å; A30-V34 PolarHBondContact O-N 3.32Å; A30-I236 HydrophobicContact CB-CD1 3.37Å; A30-Y282 HydrophobicContact CB-CD2 4.02Å; A30-Y282 HydrophobicContact CB-CE2 3.86Å; A30-L287 HydrophobicContact CB-CD2 4.3Å; A30-F290 HydrophobicContact CB-CD1 3.71Å; A30-F290 HydrophobicContact CB-CE1 3.65Å; A30-F290 HydrophobicContact CB-CG 4.3Å; A30-F290 HydrophobicContact CB-CZ 4.2Å
31	T	92.4	Very high	83.8	Confident	6 Å²	6	65 Å²	65	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-42.7	176.8	-58.7	0	0	0	0	111.8	F15 L19 N27 R28 M29 V34 R35	F15-T31 HydrophobicContact CZ-CG2 4Å; L19-T31 HydrophobicContact CD2-CG2 4.29Å; N27-T31 VanDerWaalsContact O-CB 3.31Å; N27-T31 WeakPolarHBondContact O-CB 3.38Å; N27-T31 PolarHBondContact O-N 2.86Å; N27-T31 PolarHBondContact O-OG1 3.15Å; R28-T31 PolarHBondContact O-N 3.27Å; M29-T31 VanDerWaalsContact C-N 3.34Å; M29-T31 PolarHBondContact O-N 3.26Å; T31-V34 PolarHBondContact O-N 2.91Å; T31-R35 WeakPolarHBondContact O-CG 3.39Å; T31-R35 PolarHBondContact O-N 2.97Å; T31-R35 VanDerWaalsContact O-N 3.07Å
32	R	91.7	Very high	86	Confident	185 Å²	185	60.7 Å²	60.7	70%	0.698	31%	0.313	S	S	*	.	H	α-helix	trans	-62.7	-47.1	176.1	-176.3	179.2	179.3	168.6	1	111.4	R28 M29 A30 V34 R35 D36	R28-R32 PolarHBondContact O-N 2.9Å; R28-R32 VanDerWaalsContact O-N 3.14Å; M29-R32 WeakPolarHBondContact O-CB 3.35Å; M29-R32 PolarHBondContact O-N 2.72Å; A30-R32 VanDerWaalsContact C-N 3.32Å; A30-R32 PolarHBondContact O-N 3.33Å; R32-V34 VanDerWaalsContact C-N 3.31Å; R32-V34 PolarHBondContact O-N 3.4Å; R32-R35 PolarHBondContact O-N 3.06Å; R32-D36 PolarHBondContact O-N 3.29Å; R32-D36 VanDerWaalsContact O-N 3.14Å
33	M	93.3	Very high	87.9	Confident	39 Å²	39	68.7 Å²	68.7	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-61.7	-38.9	178.4	-65.2	172.2	77.3	0	0	112.3	M29 A30 D36 C37 S281 Y282 L287	M29-M33 HydrophobicContact CG-SD 4.18Å; M29-M33 WeakPolarHBondContact O-CG 3.48Å; M29-M33 PolarHBondContact O-N 3.49Å; A30-M33 PolarHBondContact O-N 3.03Å; M33-D36 PolarHBondContact O-N 3.38Å; M33-C37 PolarHBondContact O-N 3.47Å; M33-C37 PolarHBondContact O-SG 2.89Å; M33-S281 WeakPolarHBondContact CE-OG 3.26Å; M33-Y282 HydrophobicContact SD-CD2 4.05Å; M33-L287 HydrophobicContact CB-CD1 4.06Å; M33-L287 HydrophobicContact CB-CD2 3.83Å; M33-L287 HydrophobicContact CE-CD1 3.87Å; M33-L287 HydrophobicContact CE-CD2 4.34Å; M33-L287 HydrophobicContact SD-CD2 4.17Å
34	V	94.3	Very high	89.2	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-62.6	-46.3	175.6	167.6	0	0	0	0	110.9	A30 T31 R32 D36 C37 V38 F261 L287 F290 A291 F328	A30-V34 VanDerWaalsContact O-CG2 3.29Å; A30-V34 WeakPolarHBondContact O-CG2 3.39Å; A30-V34 PolarHBondContact O-N 3.32Å; T31-V34 PolarHBondContact O-N 2.91Å; R32-V34 VanDerWaalsContact C-N 3.31Å; R32-V34 PolarHBondContact O-N 3.4Å; V34-D36 PolarHBondContact O-N 3.34Å; V34-C37 WeakPolarHBondContact O-CA 3.49Å; V34-C37 WeakPolarHBondContact O-CB 3.15Å; V34-C37 PolarHBondContact O-N 2.89Å; V34-V38 PolarHBondContact O-N 3.1Å; V34-V38 VanDerWaalsContact O-N 3.1Å; V34-F261 HydrophobicContact CG1-CE1 4.25Å; V34-L287 HydrophobicContact CG2-CB 4.25Å; V34-L287 HydrophobicContact CG2-CD2 4.22Å; V34-F290 HydrophobicContact CG2-CD1 4.34Å; V34-A291 HydrophobicContact CB-CB 4.31Å; V34-A291 HydrophobicContact CG1-CB 3.44Å; V34-A291 VanDerWaalsContact CG1-CB 3.44Å; V34-A291 HydrophobicContact CG2-CB 3.82Å; V34-F328 HydrophobicContact CG1-CD1 3.71Å; V34-F328 HydrophobicContact CG1-CE1 3.48Å; V34-F328 VanDerWaalsContact CG1-CE1 3.48Å; V34-F328 HydrophobicContact CG1-CZ 4.36Å
35	R	94.3	Very high	89.5	Confident	86 Å²	86	78 Å²	78	33%	0.325	37%	0.368	S	S	.	.	H	α-helix	trans	-57.3	-38.9	176.5	-73.8	175.6	175.7	-168	-15	112.2	T31 R32 C37 V38 L327 F328	T31-R35 WeakPolarHBondContact O-CG 3.39Å; T31-R35 PolarHBondContact O-N 2.97Å; T31-R35 VanDerWaalsContact O-N 3.07Å; R32-R35 PolarHBondContact O-N 3.06Å; R35-C37 PolarHBondContact O-N 3.45Å; R35-V38 PolarHBondContact O-N 3.4Å; R35-L327 PolarHBondContact NE-O 2.9Å; R35-L327 PolarHBondContact NH2-O 2.97Å; R35-F328 HydrophobicContact CG-CD1 4.46Å
36	D	92	Very high	89.8	Confident	92 Å²	92	81 Å²	81	49%	0.492	37%	0.374	S	S	.	.	H	α-helix	trans	-68.9	-16.2	176.1	-65.4	-22.5	0	0	0	113.6	R32 M33 V34 R268	R32-D36 PolarHBondContact O-N 3.29Å; R32-D36 VanDerWaalsContact O-N 3.14Å; M33-D36 PolarHBondContact O-N 3.38Å; V34-D36 PolarHBondContact O-N 3.34Å; D36-R268 WeakPolarHBondContact O-CD 3.42Å; D36-R268 PolarHBondContact O-NE 2.91Å
37	C	93.5	Very high	89.8	Confident	12 Å²	12	88.8 Å²	88.8	8%	0.081	40%	0.403	C	S	.	.	H	α-helix	trans	-92.5	-23.1	174.7	-61.3	0	0	0	0	112.9	M33 V34 R35 P39 T265 R268	M33-C37 PolarHBondContact O-N 3.47Å; M33-C37 PolarHBondContact O-SG 2.89Å; V34-C37 WeakPolarHBondContact O-CA 3.49Å; V34-C37 WeakPolarHBondContact O-CB 3.15Å; V34-C37 PolarHBondContact O-N 2.89Å; R35-C37 PolarHBondContact O-N 3.45Å; C37-P39 WeakPolarHBondContact O-CD 3.3Å; C37-T265 HydrophobicContact CB-CG2 4Å; C37-R268 HydrophobicContact CB-CB 4.32Å; C37-R268 HydrophobicContact CB-CG 4.46Å
38	V	95	Very high	89.7	Confident	16 Å²	16	89.4 Å²	89.4	10%	0.097	41%	0.409	C	S	.	.	S	Bend	trans	-67.1	118.6	179.8	176.2	0	0	0	0	109.8	V34 R35 Q40 F261 W264 F324 F328	V34-V38 PolarHBondContact O-N 3.1Å; V34-V38 VanDerWaalsContact O-N 3.1Å; R35-V38 PolarHBondContact O-N 3.4Å; V38-Q40 PolarHBondContact O-N 2.84Å; V38-F261 HydrophobicContact CG2-CE1 4.03Å; V38-W264 HydrophobicContact CG1-CZ3 4.33Å; V38-W264 HydrophobicContact CG2-CE3 4.35Å; V38-W264 HydrophobicContact CG2-CZ3 4.32Å; V38-F324 HydrophobicContact CG1-CE1 4.18Å; V38-F324 HydrophobicContact CG1-CZ 3.69Å; V38-F324 HydrophobicContact CG2-CZ 4.34Å; V38-F328 HydrophobicContact CG2-CB 4.21Å; V38-F328 HydrophobicContact CG2-CG 4.43Å
39	P	93.2	Very high	89.8	Confident	18 Å²	18	86.4 Å²	86.4	12%	0.117	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-73.9	132.5	-176.3	30.7	-35.9	0	0	0	111.1	C37 Y50 W264	C37-P39 WeakPolarHBondContact O-CD 3.3Å; P39-Y50 HydrophobicContact CB-CD1 4Å; P39-Y50 HydrophobicContact CB-CE1 3.85Å; P39-Y50 HydrophobicContact CG-CD1 3.6Å; P39-Y50 HydrophobicContact CG-CE1 3.91Å; P39-W264 HydrophobicContact CG-CD2 3.9Å; P39-W264 HydrophobicContact CG-CG 3.94Å; P39-W264 HydrophobicContact CG-CZ2 4.29Å
40	Q	90.4	Very high	90	Very high	144 Å²	144	84 Å²	84	67%	0.673	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-66.5	139.8	171.9	-64.7	-64.7	-56.2	0	0	111	V38 S42 Y50	V38-Q40 PolarHBondContact O-N 2.84Å; Q40-S42 PolarHBondContact O-N 2.85Å; Q40-Y50 PolarHBondContact O-OH 2.61Å
41	M	85.5	Confident	90.2	Very high	162 Å²	162	84 Å²	84	80%	0.798	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-64.2	130.6	171.4	-71.8	-175.2	-75.5	0	0	109.9	Y50	M41-Y50 VanDerWaalsContact CA-OH 3.26Å; M41-Y50 WeakPolarHBondContact CA-OH 3.14Å
42	S	87.2	Confident	90.4	Very high	57 Å²	57	86 Å²	86	40%	0.399	40%	0.399	S	S	.	.			trans	-148	133.5	-176.6	-175.2	0	0	0	0	112.3	Q40 K44 R45 Y50	Q40-S42 PolarHBondContact O-N 2.85Å; S42-K44 PolarHBondContact O-N 2.61Å; S42-K44 PolarHBondContact OG-N 3.31Å; S42-R45 PolarHBondContact O-N 2.81Å; S42-R45 VanDerWaalsContact O-N 3.14Å; S42-Y50 PolarHBondContact N-OH 3.41Å
43	F	87.2	Confident	90.8	Very high	225 Å²	225	77.2 Å²	77.2	99%	0.987	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.9	172.8	-63.8	-73.2	0	0	0	114.3
44	K	86.1	Confident	91	Very high	195 Å²	195	75.4 Å²	75.4	85%	0.848	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-14.4	179.2	-61.2	-174.3	-178.4	-178.6	0	113.4	S42	S42-K44 PolarHBondContact O-N 2.61Å; S42-K44 PolarHBondContact OG-N 3.31Å
45	R	82.9	Confident	91.2	Very high	86 Å²	86	75.3 Å²	75.3	33%	0.325	36%	0.356	S	S	.	.	S	Bend	trans	-83.8	141.9	-179.5	-69.9	-156.7	-173.5	-163.2	-2.4	110.6	S42 Y50	S42-R45 PolarHBondContact O-N 2.81Å; S42-R45 VanDerWaalsContact O-N 3.14Å; R45-Y50 HydrophobicContact CB-CE2 4.05Å; R45-Y50 WeakPolarHBondContact CD-OH 3.41Å
46	Q	85.2	Confident	91.4	Very high	160 Å²	160	71.2 Å²	71.2	75%	0.748	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-85.1	159.3	178.3	-64.4	178.9	-7.1	0	0	110.7	G48 S49	Q46-G48 PolarHBondContact O-N 3.27Å; Q46-S49 PolarHBondContact N-OG 3.29Å; Q46-S49 VanDerWaalsContact O-CB 3.27Å; Q46-S49 WeakPolarHBondContact O-CB 3.23Å; Q46-S49 PolarHBondContact O-N 2.98Å; Q46-S49 VanDerWaalsContact O-N 3.09Å; Q46-S49 PolarHBondContact O-OG 2.81Å
47	K	83.1	Confident	91.6	Very high	198 Å²	198	66.9 Å²	66.9	86%	0.861	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	129	172.5	-178.8	178.1	179.4	178.1	0	110.4
48	G	86	Confident	91.8	Very high	12 Å²	12	66.3 Å²	66.3	12%	0.124	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-0.6	-177.9	0	0	0	0	0	114.1	Q46 Y50 D79	Q46-G48 PolarHBondContact O-N 3.27Å; G48-Y50 VanDerWaalsContact C-N 3.31Å; G48-D79 WeakPolarHBondContact CA-OD2 3.18Å; G48-D79 PolarHBondContact N-OD2 3.23Å
49	S	89.5	Confident	91.9	Very high	40 Å²	40	66 Å²	66	28%	0.28	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-21.9	179.1	-56.8	0	0	0	0	113.4	Q46 D79 H263	Q46-S49 PolarHBondContact N-OG 3.29Å; Q46-S49 VanDerWaalsContact O-CB 3.27Å; Q46-S49 WeakPolarHBondContact O-CB 3.23Å; Q46-S49 PolarHBondContact O-N 2.98Å; Q46-S49 VanDerWaalsContact O-N 3.09Å; Q46-S49 PolarHBondContact O-OG 2.81Å; S49-D79 PolarHBondContact N-OD2 2.8Å; S49-H263 PolarHBondContact O-NE2 3.48Å
50	Y	94.7	Very high	92	Very high	30 Å²	30	72.3 Å²	72.3	12%	0.118	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	2.1	-178.6	-62.2	-81.7	0	0	0	113.4	P39 Q40 M41 S42 R45 G48 G77 D79 W264	P39-Y50 HydrophobicContact CB-CD1 4Å; P39-Y50 HydrophobicContact CB-CE1 3.85Å; P39-Y50 HydrophobicContact CG-CD1 3.6Å; P39-Y50 HydrophobicContact CG-CE1 3.91Å; Q40-Y50 PolarHBondContact O-OH 2.61Å; M41-Y50 VanDerWaalsContact CA-OH 3.26Å; M41-Y50 WeakPolarHBondContact CA-OH 3.14Å; S42-Y50 PolarHBondContact N-OH 3.41Å; R45-Y50 HydrophobicContact CB-CE2 4.05Å; R45-Y50 WeakPolarHBondContact CD-OH 3.41Å; G48-Y50 VanDerWaalsContact C-N 3.31Å; Y50-G77 VanDerWaalsContact CB-O 3.3Å; Y50-G77 WeakPolarHBondContact CB-O 3.48Å; Y50-D79 WeakPolarHBondContact CD2-OD2 3.49Å; Y50-D79 PolarHBondContact N-OD2 2.98Å; Y50-W264 PolarHBondContact O-NE1 2.89Å
51	G	96.4	Very high	92.2	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	33%	0.334	C	S	.	.			trans	124.1	133.6	170	0	0	0	0	0	112.8	D79 W80 D123 H263	G51-D79 PolarHBondContact O-N 2.96Å; G51-W80 PolarHBondContact O-N 3.2Å; G51-D123 WeakPolarHBondContact CA-OD2 3.38Å; G51-H263 WeakPolarHBondContact CA-CD2 3.39Å; G51-H263 PolarHBondContact N-CD2 3.23Å
52	K	97.8	Very high	92.8	Very high	49 Å²	49	69.4 Å²	69.4	21%	0.213	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-112.1	92.9	174.1	-64.2	164.1	-66.9	143.1	0	107.8	W80 H121 D123 V124	K52-W80 CarbonylContact C-O 3.58Å; K52-W80 WeakPolarHBondContact CA-O 3.45Å; K52-W80 HydrophobicContact CB-CE3 3.87Å; K52-W80 HydrophobicContact CD-CE3 4.49Å; K52-W80 HydrophobicContact CG-CB 4.36Å; K52-W80 HydrophobicContact CG-CE3 3.99Å; K52-H121 WeakPolarHBondContact CD-O 3.46Å; K52-H121 VanDerWaalsContact CE-O 3.3Å; K52-H121 WeakPolarHBondContact CE-O 3.38Å; K52-H121 PolarHBondContact NZ-O 2.97Å; K52-D123 WeakPolarHBondContact CB-OD2 3.36Å; K52-D123 WeakPolarHBondContact CE-OD1 3.3Å; K52-D123 WeakPolarHBondContact CE-OD2 3.28Å; K52-D123 PolarHBondContact N-OD2 3.26Å; K52-D123 IonicContact NZ-OD1 2.79Å; K52-D123 PolarHBondContact NZ-OD1 3.4Å; K52-D123 IonicContact NZ-OD2 2.9Å; K52-D123 PolarHBondContact O-N 3.18Å; K52-V124 PolarHBondContact O-N 2.75Å
53	I	98.4	Very high	93.3	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	104.8	-167.1	-52.1	-55.9	0	0	0	109.8	I55 A73 A78 W80 A81 P82 V124 I126 A259 H263	I53-I55 VanDerWaalsContact O-CD1 3.32Å; I53-I55 WeakPolarHBondContact O-CD1 3.33Å; I53-A73 HydrophobicContact CB-CB 4.17Å; I53-A73 HydrophobicContact CG1-CB 4.28Å; I53-A73 HydrophobicContact CG2-CB 4.05Å; I53-A78 HydrophobicContact CG1-CB 3.66Å; I53-W80 PolarHBondContact N-O 3.29Å; I53-A81 CarbonylContact O-C 3.55Å; I53-A81 WeakPolarHBondContact O-CA 3.33Å; I53-P82 VanDerWaalsContact O-CD 3.25Å; I53-P82 WeakPolarHBondContact O-CD 3.3Å; I53-V124 HydrophobicContact CD1-CB 3.83Å; I53-V124 HydrophobicContact CD1-CG2 4.04Å; I53-I126 HydrophobicContact CG2-CD1 3.93Å; I53-I126 HydrophobicContact CG2-CG1 4.23Å; I53-A259 HydrophobicContact CD1-CB 4.37Å; I53-A259 WeakPolarHBondContact CD1-O 3.34Å; I53-A259 HydrophobicContact CG2-CB 3.54Å; I53-H263 HydrophobicContact CD1-CB 4.38Å
54	C	98.4	Very high	93.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.6	-179	-172.7	0	0	0	0	112.1	P82 I122 V124 A125 I126	C54-P82 WeakPolarHBondContact CA-O 3.27Å; C54-P82 HydrophobicContact CB-CG 4.21Å; C54-I122 HydrophobicContact CB-CB 4.09Å; C54-I122 HydrophobicContact CB-CD1 3.53Å; C54-I122 HydrophobicContact CB-CG1 4.42Å; C54-I122 HydrophobicContact CB-CG2 3.71Å; C54-V124 PolarHBondContact N-O 3.11Å; C54-A125 CarbonylContact O-C 3.59Å; C54-A125 VanDerWaalsContact O-CA 3.31Å; C54-A125 WeakPolarHBondContact O-CA 3.25Å; C54-I126 PolarHBondContact O-N 2.9Å
55	I	98.6	Very high	94.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118	175.4	-57	85.5	0	0	0	107.7	I53 P66 A70 A81 P82 I83 V84 I126 P129	I53-I55 VanDerWaalsContact O-CD1 3.32Å; I53-I55 WeakPolarHBondContact O-CD1 3.33Å; I55-P66 HydrophobicContact CG2-CB 3.93Å; I55-A70 HydrophobicContact CD1-CB 3.57Å; I55-A70 HydrophobicContact CG1-CB 4.2Å; I55-A81 HydrophobicContact CD1-CB 4Å; I55-P82 PolarHBondContact N-O 3.03Å; I55-I83 HydrophobicContact CB-CG1 4.21Å; I55-I83 HydrophobicContact CD1-CG1 4.37Å; I55-I83 CarbonylContact O-C 3.57Å; I55-I83 WeakPolarHBondContact O-CA 3.46Å; I55-V84 PolarHBondContact O-N 3.32Å; I55-I126 HydrophobicContact CG1-CB 4.47Å; I55-I126 HydrophobicContact CG1-CD1 4.16Å; I55-P129 HydrophobicContact CG2-CB 4.49Å; I55-P129 HydrophobicContact CG2-CG 4.35Å
56	I	98.1	Very high	95	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	102.9	172.1	-59.7	166.4	0	0	0	106.6	V84 L106 F111 I126 L127 G128 L131 F144	I56-V84 WeakPolarHBondContact CA-O 3.46Å; I56-V84 HydrophobicContact CG1-CB 4.33Å; I56-L106 HydrophobicContact CG2-CD1 3.87Å; I56-L106 HydrophobicContact CG2-CD2 4.3Å; I56-F111 HydrophobicContact CD1-CZ 4.11Å; I56-F111 HydrophobicContact CG2-CZ 4.37Å; I56-I126 PolarHBondContact N-O 3.07Å; I56-L127 HydrophobicContact CB-CD1 3.63Å; I56-L127 HydrophobicContact CD1-CD1 4.42Å; I56-L127 HydrophobicContact CG2-CD1 3.47Å; I56-L127 VanDerWaalsContact CG2-CD1 3.47Å; I56-G128 PolarHBondContact O-N 3.42Å; I56-G128 VanDerWaalsContact O-N 3.12Å; I56-L131 HydrophobicContact CG2-CD2 4.29Å; I56-F144 HydrophobicContact CD1-CD1 3.52Å; I56-F144 HydrophobicContact CD1-CD2 3.44Å; I56-F144 VanDerWaalsContact CD1-CD2 3.44Å; I56-F144 HydrophobicContact CD1-CE1 3.4Å; I56-F144 VanDerWaalsContact CD1-CE1 3.4Å; I56-F144 HydrophobicContact CD1-CE2 3.32Å; I56-F144 HydrophobicContact CD1-CG 3.54Å; I56-F144 HydrophobicContact CD1-CZ 3.3Å
57	G	97.5	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.			trans	178.6	159.8	-164.6	0	0	0	0	0	111.1	V84 C85 P129	G57-V84 PolarHBondContact N-O 2.97Å; G57-C85 VanDerWaalsContact O-CA 3.24Å; G57-C85 WeakPolarHBondContact O-CA 3.29Å; G57-C85 WeakPolarHBondContact O-CB 3.33Å; G57-P129 CarbonylContact C-O 3.52Å; G57-P129 WeakPolarHBondContact CA-O 3.36Å
58	G	97.5	Very high	96.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.161	C	C	.	.			trans	103.9	117.9	-179.4	0	0	0	0	0	113.2	Y62 H86 P129 G130	G58-Y62 WeakPolarHBondContact CA-O 3.45Å; G58-H86 WeakPolarHBondContact O-CB 3.37Å; G58-H86 PolarHBondContact O-N 3.15Å; G58-P129 PolarHBondContact N-O 3.04Å; G58-G130 CarbonylContact C-O 3.58Å; G58-G130 WeakPolarHBondContact CA-O 3.42Å; G58-G130 PolarHBondContact N-O 2.91Å
59	S	96.8	Very high	97	Very high	10 Å²	10	32 Å²	32	7%	0.07	16%	0.155	C	C	.	.			trans	-120.6	-179.6	177.5	80.6	0	0	0	0	110.6	E61 Y62 A89 G130	S59-E61 PolarHBondContact O-N 3.17Å; S59-E61 PolarHBondContact OG-N 2.88Å; S59-E61 PolarHBondContact OG-OE2 2.85Å; S59-Y62 PolarHBondContact N-O 2.99Å; S59-Y62 PolarHBondContact O-N 3.41Å; S59-Y62 WeakPolarHBondContact OG-CD2 3.28Å; S59-Y62 PolarHBondContact OG-N 3.35Å; S59-A89 VanDerWaalsContact O-CB 3.26Å; S59-A89 WeakPolarHBondContact O-CB 3.41Å; S59-G130 WeakPolarHBondContact CB-O 3.49Å; S59-G130 PolarHBondContact N-O 2.93Å
60	F	94.8	Very high	97.4	Very high	150 Å²	150	30 Å²	30	66%	0.658	14%	0.142	S	C	*	.	S	Bend	trans	-52.5	-41.9	172	178.9	-105.2	0	0	0	112.4
61	E	95.2	Very high	97.6	Very high	122 Å²	122	29 Å²	29	57%	0.57	14%	0.138	S	C	*	.	S	Bend	trans	-84	-36.9	-179	-57.2	77.6	-169.1	0	0	113.2	S59	S59-E61 PolarHBondContact O-N 3.17Å; S59-E61 PolarHBondContact OG-N 2.88Å; S59-E61 PolarHBondContact OG-OE2 2.85Å
62	Y	97	Very high	97.7	Very high	123 Å²	123	29 Å²	29	48%	0.482	14%	0.138	S	C	.	.			trans	-113.1	83	-166.7	-56.8	-64.7	0	0	0	112.8	G58 S59	G58-Y62 WeakPolarHBondContact CA-O 3.45Å; S59-Y62 PolarHBondContact N-O 2.99Å; S59-Y62 PolarHBondContact O-N 3.41Å; S59-Y62 WeakPolarHBondContact OG-CD2 3.28Å; S59-Y62 PolarHBondContact OG-N 3.35Å
63	T	97.3	Very high	97.8	Very high	22 Å²	22	26.7 Å²	26.7	14%	0.135	13%	0.128	C	C	.	.	S	Bend	trans	-91	-28.3	178.8	57.7	0	0	0	0	113.4	P66 A89 V92 I93 Y96	T63-P66 WeakPolarHBondContact O-CG 3.23Å; T63-A89 HydrophobicContact CG2-CB 4.13Å; T63-V92 HydrophobicContact CG2-CB 3.92Å; T63-V92 HydrophobicContact CG2-CG1 3.92Å; T63-V92 HydrophobicContact CG2-CG2 4.45Å; T63-I93 WeakPolarHBondContact O-CG1 3.39Å; T63-Y96 PolarHBondContact OG1-OH 2.79Å
64	G	97.7	Very high	97.8	Very high	22 Å²	22	29.4 Å²	29.4	23%	0.227	14%	0.141	C	C	.	.	H	α-helix	trans	-76.4	-36.2	-174.7	0	0	0	0	0	114.7	Y67 F68	G64-Y67 WeakPolarHBondContact O-CB 3.37Å; G64-Y67 PolarHBondContact O-N 3.35Å; G64-F68 VanDerWaalsContact O-CD2 3.24Å; G64-F68 WeakPolarHBondContact O-CD2 3.08Å; G64-F68 PolarHBondContact O-N 3.29Å
65	A	97.9	Very high	97.7	Very high	17 Å²	17	34.1 Å²	34.1	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-56.6	-54.4	-178.5	0	0	0	0	0	113.5	Y67 F68 S69 P129 D252	A65-Y67 VanDerWaalsContact C-N 3.26Å; A65-Y67 PolarHBondContact O-N 3.47Å; A65-F68 PolarHBondContact O-N 3.3Å; A65-S69 PolarHBondContact O-N 2.99Å; A65-S69 VanDerWaalsContact O-N 3.11Å; A65-P129 HydrophobicContact CB-CB 4.09Å; A65-D252 WeakPolarHBondContact CB-OD1 3.32Å; A65-D252 WeakPolarHBondContact O-CB 3.46Å
66	P	98.3	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.4	-31.8	178.2	28.3	-38.5	0	0	0	112.7	I55 T63 A70 I83 I93	I55-P66 HydrophobicContact CG2-CB 3.93Å; T63-P66 WeakPolarHBondContact O-CG 3.23Å; P66-A70 WeakPolarHBondContact O-CB 3.42Å; P66-A70 PolarHBondContact O-N 3Å; P66-I83 HydrophobicContact CB-CD1 4.47Å; P66-I83 HydrophobicContact CB-CG2 3.89Å; P66-I93 HydrophobicContact CG-CD1 3.66Å; P66-I93 HydrophobicContact CG-CG1 4.49Å
67	Y	98.4	Very high	97.6	Very high	45 Å²	45	35.8 Å²	35.8	18%	0.176	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-49.5	174	163.2	-98.9	0	0	0	111.9	G64 A65 S69 A70 I71 Y96 L100	G64-Y67 WeakPolarHBondContact O-CB 3.37Å; G64-Y67 PolarHBondContact O-N 3.35Å; A65-Y67 VanDerWaalsContact C-N 3.26Å; A65-Y67 PolarHBondContact O-N 3.47Å; Y67-S69 VanDerWaalsContact C-N 3.29Å; Y67-S69 PolarHBondContact O-N 3.41Å; Y67-A70 PolarHBondContact O-N 3.02Å; Y67-I71 HydrophobicContact CE1-CG2 4.18Å; Y67-I71 HydrophobicContact CE2-CB 4.2Å; Y67-I71 HydrophobicContact CE2-CG2 4.48Å; Y67-I71 WeakPolarHBondContact O-CG2 3.36Å; Y67-I71 PolarHBondContact O-N 3.35Å; Y67-Y96 HydrophobicContact CD1-CD2 4.29Å; Y67-Y96 HydrophobicContact CD2-CD2 4.18Å; Y67-Y96 HydrophobicContact CD2-CG 4.42Å; Y67-Y96 AromaticContact CG-CD2 3.81Å; Y67-Y96 HydrophobicContact CG-CD2 3.81Å; Y67-Y96 HydrophobicContact CG-CG 4.39Å; Y67-L100 HydrophobicContact CD2-CD1 3.61Å; Y67-L100 HydrophobicContact CE2-CD1 4Å
68	F	98.6	Very high	97.6	Very high	40 Å²	40	36 Å²	36	18%	0.175	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-38.5	179.9	-76.9	-53.6	0	0	0	112	G64 A65 I71 S72 D252 L253 T313 V317	G64-F68 VanDerWaalsContact O-CD2 3.24Å; G64-F68 WeakPolarHBondContact O-CD2 3.08Å; G64-F68 PolarHBondContact O-N 3.29Å; A65-F68 PolarHBondContact O-N 3.3Å; F68-I71 HydrophobicContact CD1-CG2 4.45Å; F68-I71 WeakPolarHBondContact O-CG2 3.07Å; F68-S72 WeakPolarHBondContact O-CB 3.35Å; F68-S72 PolarHBondContact O-N 3.45Å; F68-D252 HydrophobicContact CB-CB 3.68Å; F68-L253 HydrophobicContact CB-CD2 3.96Å; F68-L253 HydrophobicContact CD1-CD2 4.08Å; F68-L253 HydrophobicContact CG-CD2 4.39Å; F68-L253 WeakPolarHBondContact O-CD2 3.28Å; F68-T313 HydrophobicContact CB-CG2 4.46Å; F68-T313 HydrophobicContact CD1-CG2 3.52Å; F68-T313 HydrophobicContact CD2-CG2 4.01Å; F68-T313 HydrophobicContact CE1-CG2 3.61Å; F68-T313 HydrophobicContact CE2-CG2 4.08Å; F68-T313 HydrophobicContact CG-CG2 3.74Å; F68-T313 HydrophobicContact CZ-CG2 3.9Å; F68-V317 HydrophobicContact CD1-CG2 4.18Å; F68-V317 HydrophobicContact CE1-CG2 4.44Å
69	S	98.6	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-48.3	173.8	-165.1	0	0	0	0	112	A65 Y67 S72 A73 I126 D252 T255 G256	A65-S69 PolarHBondContact O-N 2.99Å; A65-S69 VanDerWaalsContact O-N 3.11Å; Y67-S69 VanDerWaalsContact C-N 3.29Å; Y67-S69 PolarHBondContact O-N 3.41Å; S69-S72 PolarHBondContact O-N 3.07Å; S69-A73 PolarHBondContact O-N 3.28Å; S69-I126 WeakPolarHBondContact OG-CD1 3.47Å; S69-D252 WeakPolarHBondContact CA-O 3.4Å; S69-T255 PolarHBondContact OG-OG1 3.19Å; S69-G256 VanDerWaalsContact O-CA 3.23Å; S69-G256 WeakPolarHBondContact O-CA 3.11Å; S69-G256 PolarHBondContact OG-N 3.44Å
70	A	98.6	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-46.7	-179.8	0	0	0	0	0	113.4	I55 P66 Y67 S72 A73 M74 A81 I83 L100	I55-A70 HydrophobicContact CD1-CB 3.57Å; I55-A70 HydrophobicContact CG1-CB 4.2Å; P66-A70 WeakPolarHBondContact O-CB 3.42Å; P66-A70 PolarHBondContact O-N 3Å; Y67-A70 PolarHBondContact O-N 3.02Å; A70-S72 VanDerWaalsContact C-N 3.29Å; A70-S72 PolarHBondContact O-N 3.04Å; A70-A73 PolarHBondContact O-N 3.03Å; A70-M74 WeakPolarHBondContact O-CG 3.37Å; A70-M74 PolarHBondContact O-N 3.37Å; A70-A81 HydrophobicContact CB-CB 4.12Å; A70-I83 HydrophobicContact CB-CD1 3.65Å; A70-I83 HydrophobicContact CB-CG1 3.73Å; A70-L100 HydrophobicContact CB-CD1 3.86Å; A70-L100 HydrophobicContact CB-CD2 3.92Å; A70-L100 HydrophobicContact CB-CG 4.49Å
71	I	98.4	Very high	97.7	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-67.2	-33.6	180	-164.7	60.3	0	0	0	111.3	Y67 F68 M74 K75 V317	Y67-I71 HydrophobicContact CE1-CG2 4.18Å; Y67-I71 HydrophobicContact CE2-CB 4.2Å; Y67-I71 HydrophobicContact CE2-CG2 4.48Å; Y67-I71 WeakPolarHBondContact O-CG2 3.36Å; Y67-I71 PolarHBondContact O-N 3.35Å; F68-I71 HydrophobicContact CD1-CG2 4.45Å; F68-I71 WeakPolarHBondContact O-CG2 3.07Å; I71-M74 PolarHBondContact O-N 3.24Å; I71-K75 HydrophobicContact CD1-CG 4.36Å; I71-K75 HydrophobicContact CG1-CD 4.31Å; I71-K75 HydrophobicContact CG1-CG 4.33Å; I71-K75 WeakPolarHBondContact O-CB 3.38Å; I71-K75 WeakPolarHBondContact O-CG 3.48Å; I71-K75 PolarHBondContact O-N 3.28Å; I71-V317 HydrophobicContact CG1-CG1 4.08Å; I71-V317 HydrophobicContact CG2-CG1 4.3Å; I71-V317 HydrophobicContact CG2-CG2 4.06Å
72	S	98.6	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-42.9	173.7	-171.1	0	0	0	0	111.5	F68 S69 A70 K75 T76 L253	F68-S72 WeakPolarHBondContact O-CB 3.35Å; F68-S72 PolarHBondContact O-N 3.45Å; S69-S72 PolarHBondContact O-N 3.07Å; A70-S72 VanDerWaalsContact C-N 3.29Å; A70-S72 PolarHBondContact O-N 3.04Å; S72-K75 PolarHBondContact O-N 3.18Å; S72-T76 VanDerWaalsContact O-CB 3.28Å; S72-T76 WeakPolarHBondContact O-CB 3.16Å; S72-T76 PolarHBondContact O-N 2.91Å; S72-T76 PolarHBondContact O-OG1 2.83Å; S72-L253 WeakPolarHBondContact CB-O 3.35Å; S72-L253 PolarHBondContact OG-O 3.47Å
73	A	98.6	Very high	97.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-50.8	175.2	0	0	0	0	0	111.7	I53 S69 A70 K75 T76 G77 A78 A81 G256 T260	I53-A73 HydrophobicContact CB-CB 4.17Å; I53-A73 HydrophobicContact CG1-CB 4.28Å; I53-A73 HydrophobicContact CG2-CB 4.05Å; S69-A73 PolarHBondContact O-N 3.28Å; A70-A73 PolarHBondContact O-N 3.03Å; A73-K75 PolarHBondContact O-N 3.26Å; A73-T76 PolarHBondContact O-N 3.32Å; A73-G77 PolarHBondContact O-N 3.17Å; A73-G77 VanDerWaalsContact O-N 3.1Å; A73-A78 HydrophobicContact CB-CB 4.23Å; A73-A78 WeakPolarHBondContact O-CB 3.23Å; A73-A78 PolarHBondContact O-N 3.17Å; A73-A81 HydrophobicContact CB-CB 4.26Å; A73-G256 WeakPolarHBondContact CA-O 3.01Å; A73-G256 WeakPolarHBondContact CB-O 3.41Å; A73-T260 VanDerWaalsContact CA-OG1 3.29Å; A73-T260 WeakPolarHBondContact CA-OG1 3.39Å; A73-T260 WeakPolarHBondContact CB-OG1 3.33Å; A73-T260 PolarHBondContact O-OG1 3.29Å
74	M	98	Very high	97.9	Very high	57 Å²	57	21.3 Å²	21.3	28%	0.281	11%	0.114	S	C	.	.	H	α-helix	trans	-58.2	-46.9	177.8	-67.1	-62.8	-62.9	0	0	112	A70 I71 T76 G77 A81 L100	A70-M74 WeakPolarHBondContact O-CG 3.37Å; A70-M74 PolarHBondContact O-N 3.37Å; I71-M74 PolarHBondContact O-N 3.24Å; M74-T76 VanDerWaalsContact C-N 3.34Å; M74-T76 PolarHBondContact O-N 3.3Å; M74-G77 PolarHBondContact O-N 3.49Å; M74-A81 HydrophobicContact CG-CB 3.63Å; M74-A81 HydrophobicContact SD-CB 3.66Å; M74-A81 PolarHBondContact SD-N 3.1Å; M74-A81 VanDerWaalsContact SD-N 3.44Å; M74-L100 HydrophobicContact CG-CD2 3.87Å
75	K	97.9	Very high	97.9	Very high	100 Å²	100	20.2 Å²	20.2	44%	0.435	10%	0.103	S	C	.	.	H	α-helix	trans	-74.1	-23.3	-179	-69.2	-166.3	83.8	74	0	113.9	I71 S72 A73 G77 V317 I320	I71-K75 HydrophobicContact CD1-CG 4.36Å; I71-K75 HydrophobicContact CG1-CD 4.31Å; I71-K75 HydrophobicContact CG1-CG 4.33Å; I71-K75 WeakPolarHBondContact O-CB 3.38Å; I71-K75 WeakPolarHBondContact O-CG 3.48Å; I71-K75 PolarHBondContact O-N 3.28Å; S72-K75 PolarHBondContact O-N 3.18Å; A73-K75 PolarHBondContact O-N 3.26Å; K75-G77 VanDerWaalsContact C-N 3.31Å; K75-V317 HydrophobicContact CD-CG1 3.39Å; K75-V317 VanDerWaalsContact CE-O 3.23Å; K75-V317 WeakPolarHBondContact CE-O 3.42Å; K75-I320 HydrophobicContact CB-CB 4.22Å; K75-I320 HydrophobicContact CB-CD1 3.88Å; K75-I320 HydrophobicContact CB-CG2 3.92Å; K75-I320 HydrophobicContact CD-CD1 4.39Å; K75-I320 WeakPolarHBondContact O-CG2 3.47Å
76	T	98.2	Very high	97.9	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-69.3	-35.6	170.2	-59.5	0	0	0	0	110	S72 A73 M74 T260 F261 W264 L295 F324	S72-T76 VanDerWaalsContact O-CB 3.28Å; S72-T76 WeakPolarHBondContact O-CB 3.16Å; S72-T76 PolarHBondContact O-N 2.91Å; S72-T76 PolarHBondContact O-OG1 2.83Å; A73-T76 PolarHBondContact O-N 3.32Å; M74-T76 VanDerWaalsContact C-N 3.34Å; M74-T76 PolarHBondContact O-N 3.3Å; T76-T260 HydrophobicContact CG2-CG2 3.8Å; T76-F261 HydrophobicContact CG2-CD2 4.32Å; T76-F261 HydrophobicContact CG2-CE2 3.9Å; T76-F261 HydrophobicContact CG2-CZ 4.24Å; T76-W264 HydrophobicContact CG2-CH2 4.1Å; T76-W264 HydrophobicContact CG2-CZ3 4.32Å; T76-W264 WeakPolarHBondContact O-CH2 3.37Å; T76-L295 HydrophobicContact CG2-CD2 4Å; T76-F324 HydrophobicContact CG2-CD2 4.44Å; T76-F324 HydrophobicContact CG2-CE2 4.23Å
77	G	96.7	Very high	97.8	Very high	29 Å²	29	24 Å²	24	30%	0.299	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	140.8	12	173.2	0	0	0	0	0	115	Y50 A73 M74 K75	Y50-G77 VanDerWaalsContact CB-O 3.3Å; Y50-G77 WeakPolarHBondContact CB-O 3.48Å; A73-G77 PolarHBondContact O-N 3.17Å; A73-G77 VanDerWaalsContact O-N 3.1Å; M74-G77 PolarHBondContact O-N 3.49Å; K75-G77 VanDerWaalsContact C-N 3.31Å
78	A	97.4	Very high	97.7	Very high	5 Å²	5	25.2 Å²	25.2	4%	0.041	13%	0.133	C	C	.	.			trans	-66	145.4	172.2	0	0	0	0	0	111.3	I53 A73 T260	I53-A78 HydrophobicContact CG1-CB 3.66Å; A73-A78 HydrophobicContact CB-CB 4.23Å; A73-A78 WeakPolarHBondContact O-CB 3.23Å; A73-A78 PolarHBondContact O-N 3.17Å; A78-T260 HydrophobicContact CB-CG2 4.14Å
79	D	96.4	Very high	97.6	Very high	51 Å²	51	23.4 Å²	23.4	27%	0.273	13%	0.125	S	C	.	.	S	Bend	trans	-81.4	-27.8	-180	-77.7	-35.6	0	0	0	112.6	G48 S49 Y50 G51	G48-D79 WeakPolarHBondContact CA-OD2 3.18Å; G48-D79 PolarHBondContact N-OD2 3.23Å; S49-D79 PolarHBondContact N-OD2 2.8Å; Y50-D79 WeakPolarHBondContact CD2-OD2 3.49Å; Y50-D79 PolarHBondContact N-OD2 2.98Å; G51-D79 PolarHBondContact O-N 2.96Å
80	W	97	Very high	97.6	Very high	60 Å²	60	23.4 Å²	23.4	23%	0.227	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-151.6	127.8	-176.8	-175.7	46.6	0	0	0	110.7	G51 K52 I53 P82 T101 Y103 H121 I122	G51-W80 PolarHBondContact O-N 3.2Å; K52-W80 CarbonylContact C-O 3.58Å; K52-W80 WeakPolarHBondContact CA-O 3.45Å; K52-W80 HydrophobicContact CB-CE3 3.87Å; K52-W80 HydrophobicContact CD-CE3 4.49Å; K52-W80 HydrophobicContact CG-CB 4.36Å; K52-W80 HydrophobicContact CG-CE3 3.99Å; I53-W80 PolarHBondContact N-O 3.29Å; W80-P82 HydrophobicContact CD2-CB 4.37Å; W80-P82 HydrophobicContact CD2-CG 3.85Å; W80-P82 HydrophobicContact CE3-CG 3.94Å; W80-P82 HydrophobicContact CH2-CB 4.03Å; W80-P82 HydrophobicContact CH2-CG 3.67Å; W80-P82 HydrophobicContact CZ2-CB 3.49Å; W80-P82 VanDerWaalsContact CZ2-CB 3.49Å; W80-P82 HydrophobicContact CZ2-CG 3.56Å; W80-P82 HydrophobicContact CZ3-CG 3.85Å; W80-T101 PolarHBondContact NE1-OG1 3.1Å; W80-T101 VanDerWaalsContact NE1-OG1 3.15Å; W80-Y103 AromaticContact CZ2-CE2 4Å; W80-Y103 HydrophobicContact CZ2-CE2 4Å; W80-H121 HydrophobicContact CZ3-CB 4.38Å; W80-I122 HydrophobicContact CZ3-CG2 4.19Å
81	A	97.7	Very high	97.5	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	15%	0.154	C	C	.	.			trans	-126.7	73.2	179.4	0	0	0	0	0	111.8	I53 I55 A70 A73 M74 L100	I53-A81 CarbonylContact O-C 3.55Å; I53-A81 WeakPolarHBondContact O-CA 3.33Å; I55-A81 HydrophobicContact CD1-CB 4Å; A70-A81 HydrophobicContact CB-CB 4.12Å; A73-A81 HydrophobicContact CB-CB 4.26Å; M74-A81 HydrophobicContact CG-CB 3.63Å; M74-A81 HydrophobicContact SD-CB 3.66Å; M74-A81 PolarHBondContact SD-N 3.1Å; M74-A81 VanDerWaalsContact SD-N 3.44Å; A81-L100 HydrophobicContact CB-CD2 4.46Å
82	P	97.5	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.			trans	-69.6	138.7	-179.1	28.2	-35.1	0	0	0	111.8	I53 C54 I55 W80 T101 Y103	I53-P82 VanDerWaalsContact O-CD 3.25Å; I53-P82 WeakPolarHBondContact O-CD 3.3Å; C54-P82 WeakPolarHBondContact CA-O 3.27Å; C54-P82 HydrophobicContact CB-CG 4.21Å; I55-P82 PolarHBondContact N-O 3.03Å; W80-P82 HydrophobicContact CD2-CB 4.37Å; W80-P82 HydrophobicContact CD2-CG 3.85Å; W80-P82 HydrophobicContact CE3-CG 3.94Å; W80-P82 HydrophobicContact CH2-CB 4.03Å; W80-P82 HydrophobicContact CH2-CG 3.67Å; W80-P82 HydrophobicContact CZ2-CB 3.49Å; W80-P82 VanDerWaalsContact CZ2-CB 3.49Å; W80-P82 HydrophobicContact CZ2-CG 3.56Å; W80-P82 HydrophobicContact CZ3-CG 3.85Å; P82-T101 CarbonylContact C-O 3.56Å; P82-T101 WeakPolarHBondContact CA-O 3.31Å; P82-Y103 HydrophobicContact CB-CD2 4.07Å; P82-Y103 HydrophobicContact CB-CE2 3.69Å
83	I	98.4	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.7	173.3	-59.5	170.8	0	0	0	108.7	I55 P66 A70 C85 I93 L100 T101 V102 Y103	I55-I83 HydrophobicContact CB-CG1 4.21Å; I55-I83 HydrophobicContact CD1-CG1 4.37Å; I55-I83 CarbonylContact O-C 3.57Å; I55-I83 WeakPolarHBondContact O-CA 3.46Å; P66-I83 HydrophobicContact CB-CD1 4.47Å; P66-I83 HydrophobicContact CB-CG2 3.89Å; A70-I83 HydrophobicContact CB-CD1 3.65Å; A70-I83 HydrophobicContact CB-CG1 3.73Å; I83-C85 HydrophobicContact CG2-CB 4Å; I83-I93 HydrophobicContact CD1-CG2 3.55Å; I83-I93 HydrophobicContact CG2-CD1 4.38Å; I83-L100 HydrophobicContact CD1-CD1 4.1Å; I83-T101 PolarHBondContact N-O 2.73Å; I83-V102 HydrophobicContact CB-CG2 4.48Å; I83-V102 HydrophobicContact CD1-CG2 4.48Å; I83-V102 CarbonylContact O-C 3.58Å; I83-V102 WeakPolarHBondContact O-CA 3.47Å; I83-Y103 PolarHBondContact O-N 2.87Å
84	V	97.9	Very high	97.5	Very high	5 Å²	5	35 Å²	35	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.9	165.9	-172.3	0	0	0	0	108	I55 I56 G57 Y103 L106 F111 L118	I55-V84 PolarHBondContact O-N 3.32Å; I56-V84 WeakPolarHBondContact CA-O 3.46Å; I56-V84 HydrophobicContact CG1-CB 4.33Å; G57-V84 PolarHBondContact N-O 2.97Å; V84-Y103 HydrophobicContact CG2-CD2 4.32Å; V84-L106 HydrophobicContact CG1-CB 4.28Å; V84-F111 HydrophobicContact CB-CE2 4.48Å; V84-F111 HydrophobicContact CG1-CD2 3.87Å; V84-F111 HydrophobicContact CG1-CE2 3.68Å; V84-L118 HydrophobicContact CG2-CD1 4.46Å; V84-L118 HydrophobicContact CG2-CD2 3.87Å
85	C	97.5	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	169.3	-173.4	67.8	0	0	0	0	111.7	G57 I83 A89 I93 Y103 S105 L106	G57-C85 VanDerWaalsContact O-CA 3.24Å; G57-C85 WeakPolarHBondContact O-CA 3.29Å; G57-C85 WeakPolarHBondContact O-CB 3.33Å; I83-C85 HydrophobicContact CG2-CB 4Å; C85-A89 HydrophobicContact CB-CB 4.26Å; C85-I93 HydrophobicContact CB-CD1 4Å; C85-Y103 PolarHBondContact N-O 3.31Å; C85-Y103 VanDerWaalsContact N-O 3.14Å; C85-S105 PolarHBondContact O-N 2.83Å; C85-S105 VanDerWaalsContact O-N 3.17Å; C85-L106 VanDerWaalsContact O-CB 3.3Å; C85-L106 WeakPolarHBondContact O-CB 3.49Å; C85-L106 PolarHBondContact O-N 3.39Å
86	H	97.1	Very high	97.4	Very high	62 Å²	62	36.6 Å²	36.6	29%	0.287	20%	0.204	S	C	.	.			trans	-58.3	139.7	170.6	-171.3	-96.1	0	0	0	109.6	G58 T88 A89 A90	G58-H86 WeakPolarHBondContact O-CB 3.37Å; G58-H86 PolarHBondContact O-N 3.15Å; H86-T88 PolarHBondContact CE1-OG1 3.34Å; H86-T88 PolarHBondContact ND1-N 3.35Å; H86-T88 PolarHBondContact ND1-OG1 3.33Å; H86-T88 PolarHBondContact O-N 3.15Å; H86-T88 VanDerWaalsContact O-N 3.11Å; H86-A89 WeakPolarHBondContact O-CB 3.27Å; H86-A89 PolarHBondContact O-N 2.8Å; H86-A90 PolarHBondContact O-N 3.19Å
87	P	96.2	Very high	97.2	Very high	35 Å²	35	36.7 Å²	36.7	23%	0.227	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.7	-175.2	-29.4	35.3	0	0	0	114.7	A89 A90 P91 P104 E107	P87-A89 VanDerWaalsContact C-N 3.31Å; P87-A89 PolarHBondContact O-N 3.36Å; P87-A90 PolarHBondContact O-N 3.25Å; P87-P91 WeakPolarHBondContact O-CD 3.46Å; P87-P104 HydrophobicContact CB-CB 4.19Å; P87-E107 HydrophobicContact CG-CB 4.26Å; P87-E107 HydrophobicContact CG-CG 4.24Å; P87-E107 WeakPolarHBondContact CG-OE2 3.24Å
88	T	95.9	Very high	97.1	Very high	70 Å²	70	41.6 Å²	41.6	43%	0.429	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-26.3	178.6	63.2	0	0	0	0	113.5	H86	H86-T88 PolarHBondContact CE1-OG1 3.34Å; H86-T88 PolarHBondContact ND1-N 3.35Å; H86-T88 PolarHBondContact ND1-OG1 3.33Å; H86-T88 PolarHBondContact O-N 3.15Å; H86-T88 VanDerWaalsContact O-N 3.11Å
89	A	97.6	Very high	96.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-29.2	177.7	0	0	0	0	0	112	S59 T63 C85 H86 P87 V92 I93	S59-A89 VanDerWaalsContact O-CB 3.26Å; S59-A89 WeakPolarHBondContact O-CB 3.41Å; T63-A89 HydrophobicContact CG2-CB 4.13Å; C85-A89 HydrophobicContact CB-CB 4.26Å; H86-A89 WeakPolarHBondContact O-CB 3.27Å; H86-A89 PolarHBondContact O-N 2.8Å; P87-A89 VanDerWaalsContact C-N 3.31Å; P87-A89 PolarHBondContact O-N 3.36Å; A89-V92 PolarHBondContact O-N 3.01Å; A89-I93 HydrophobicContact CB-CD1 3.95Å; A89-I93 WeakPolarHBondContact O-CG1 3.05Å; A89-I93 PolarHBondContact O-N 2.91Å
90	A	97.8	Very high	96.8	Very high	1 Å²	1	46 Å²	46	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-60.6	-43.8	-167.6	0	0	0	0	0	114.6	H86 P87 V92 I93 K94 V102 P104	H86-A90 PolarHBondContact O-N 3.19Å; P87-A90 PolarHBondContact O-N 3.25Å; A90-V92 VanDerWaalsContact C-N 3.26Å; A90-V92 PolarHBondContact O-N 3.01Å; A90-I93 PolarHBondContact O-N 3.42Å; A90-K94 WeakPolarHBondContact O-CB 3.32Å; A90-K94 WeakPolarHBondContact O-CG 3.43Å; A90-K94 PolarHBondContact O-N 3.16Å; A90-V102 HydrophobicContact CB-CG1 3.9Å; A90-P104 HydrophobicContact CB-CB 3.61Å; A90-P104 HydrophobicContact CB-CG 4.42Å
91	P	97.7	Very high	96.7	Very high	90 Å²	90	45.6 Å²	45.6	58%	0.584	26%	0.255	S	S	*	.	H	α-helix	trans	-60.2	-37.2	178.4	-24.1	35	0	0	0	112.8	P87 S95	P87-P91 WeakPolarHBondContact O-CD 3.46Å; P91-S95 PolarHBondContact O-N 2.93Å
92	V	98.1	Very high	96.7	Very high	59 Å²	59	46 Å²	46	36%	0.358	26%	0.257	S	S	.	.	H	α-helix	trans	-71.4	-46.9	179	-179.2	0	0	0	0	110.7	T63 A89 A90 K94 S95 Y96	T63-V92 HydrophobicContact CG2-CB 3.92Å; T63-V92 HydrophobicContact CG2-CG1 3.92Å; T63-V92 HydrophobicContact CG2-CG2 4.45Å; A89-V92 PolarHBondContact O-N 3.01Å; A90-V92 VanDerWaalsContact C-N 3.26Å; A90-V92 PolarHBondContact O-N 3.01Å; V92-K94 VanDerWaalsContact C-N 3.29Å; V92-K94 PolarHBondContact O-N 2.99Å; V92-S95 PolarHBondContact O-N 3.04Å; V92-S95 PolarHBondContact O-OG 3.44Å; V92-Y96 HydrophobicContact CG1-CE1 3.93Å; V92-Y96 HydrophobicContact CG1-CE2 4.18Å; V92-Y96 WeakPolarHBondContact CG1-OH 3.42Å; V92-Y96 PolarHBondContact O-N 3.08Å
93	I	98	Very high	96.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-40	179.3	-61.9	169.5	0	0	0	110.7	T63 P66 I83 C85 A89 A90 S95 Y96 V102	T63-I93 WeakPolarHBondContact O-CG1 3.39Å; P66-I93 HydrophobicContact CG-CD1 3.66Å; P66-I93 HydrophobicContact CG-CG1 4.49Å; I83-I93 HydrophobicContact CD1-CG2 3.55Å; I83-I93 HydrophobicContact CG2-CD1 4.38Å; C85-I93 HydrophobicContact CB-CD1 4Å; A89-I93 HydrophobicContact CB-CD1 3.95Å; A89-I93 WeakPolarHBondContact O-CG1 3.05Å; A89-I93 PolarHBondContact O-N 2.91Å; A90-I93 PolarHBondContact O-N 3.42Å; I93-S95 PolarHBondContact O-N 3.32Å; I93-Y96 WeakPolarHBondContact O-CB 3.35Å; I93-Y96 PolarHBondContact O-N 3.29Å; I93-Y96 VanDerWaalsContact O-N 3.13Å; I93-V102 HydrophobicContact CB-CG1 4.31Å; I93-V102 HydrophobicContact CB-CG2 4.33Å; I93-V102 HydrophobicContact CG2-CG1 4.29Å; I93-V102 HydrophobicContact CG2-CG2 3.69Å
94	K	97.9	Very high	96.6	Very high	101 Å²	101	52.8 Å²	52.8	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-25.5	175.8	-73.9	172.3	-178.5	-178.1	0	113.4	A90 V92 V102	A90-K94 WeakPolarHBondContact O-CB 3.32Å; A90-K94 WeakPolarHBondContact O-CG 3.43Å; A90-K94 PolarHBondContact O-N 3.16Å; V92-K94 VanDerWaalsContact C-N 3.29Å; V92-K94 PolarHBondContact O-N 2.99Å; K94-V102 HydrophobicContact CD-CB 4.34Å; K94-V102 WeakPolarHBondContact CE-O 3.35Å; K94-V102 HydrophobicContact CG-CB 3.64Å; K94-V102 HydrophobicContact CG-CG1 4.19Å; K94-V102 HydrophobicContact CG-CG2 3.81Å
95	S	97.7	Very high	96.4	Very high	90 Å²	90	53.1 Å²	53.1	63%	0.629	29%	0.292	S	S	*	.	H	α-helix	trans	-85.4	-15.1	177.9	75.5	0	0	0	0	113.4	P91 V92 I93	P91-S95 PolarHBondContact O-N 2.93Å; V92-S95 PolarHBondContact O-N 3.04Å; V92-S95 PolarHBondContact O-OG 3.44Å; I93-S95 PolarHBondContact O-N 3.32Å
96	Y	97.3	Very high	96.3	Very high	101 Å²	101	53.2 Å²	53.2	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-72.4	-40.1	176	-64.7	-25.4	0	0	0	113.2	T63 Y67 V92 I93	T63-Y96 PolarHBondContact OG1-OH 2.79Å; Y67-Y96 HydrophobicContact CD1-CD2 4.29Å; Y67-Y96 HydrophobicContact CD2-CD2 4.18Å; Y67-Y96 HydrophobicContact CD2-CG 4.42Å; Y67-Y96 AromaticContact CG-CD2 3.81Å; Y67-Y96 HydrophobicContact CG-CD2 3.81Å; Y67-Y96 HydrophobicContact CG-CG 4.39Å; V92-Y96 HydrophobicContact CG1-CE1 3.93Å; V92-Y96 HydrophobicContact CG1-CE2 4.18Å; V92-Y96 WeakPolarHBondContact CG1-OH 3.42Å; V92-Y96 PolarHBondContact O-N 3.08Å; I93-Y96 WeakPolarHBondContact O-CB 3.35Å; I93-Y96 PolarHBondContact O-N 3.29Å; I93-Y96 VanDerWaalsContact O-N 3.13Å
97	S	94.8	Very high	96.1	Very high	8 Å²	8	54.2 Å²	54.2	6%	0.056	30%	0.298	C	S	.	.			trans	-153.8	135.2	173.7	174.4	0	0	0	0	111.6	E99	S97-E99 PolarHBondContact O-N 3.18Å; S97-E99 WeakPolarHBondContact OG-CB 3.19Å; S97-E99 WeakPolarHBondContact OG-CG 3.32Å; S97-E99 PolarHBondContact OG-N 2.9Å; S97-E99 VanDerWaalsContact OG-N 3.08Å; S97-E99 PolarHBondContact OG-OE2 2.82Å; S97-E99 VanDerWaalsContact OG-OE2 3.04Å
98	P	93.4	Very high	95.7	Very high	132 Å²	132	56.3 Å²	56.3	86%	0.857	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.3	172.4	33.5	-36.4	0	0	0	113.3	L100	P98-L100 VanDerWaalsContact C-N 3.32Å
99	E	92.5	Very high	95.4	Very high	135 Å²	135	55.3 Å²	55.3	63%	0.631	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-24.9	-178.3	-58.6	170.2	117.9	0	0	112.3	S97	S97-E99 PolarHBondContact O-N 3.18Å; S97-E99 WeakPolarHBondContact OG-CB 3.19Å; S97-E99 WeakPolarHBondContact OG-CG 3.32Å; S97-E99 PolarHBondContact OG-N 2.9Å; S97-E99 VanDerWaalsContact OG-N 3.08Å; S97-E99 PolarHBondContact OG-OE2 2.82Å; S97-E99 VanDerWaalsContact OG-OE2 3.04Å
100	L	94.3	Very high	94.9	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.068	33%	0.329	C	S	.	.	S	Bend	trans	-94.4	132.4	-171.7	-58.6	177.8	0	0	0	111.4	Y67 A70 M74 A81 I83 P98	Y67-L100 HydrophobicContact CD2-CD1 3.61Å; Y67-L100 HydrophobicContact CE2-CD1 4Å; A70-L100 HydrophobicContact CB-CD1 3.86Å; A70-L100 HydrophobicContact CB-CD2 3.92Å; A70-L100 HydrophobicContact CB-CG 4.49Å; M74-L100 HydrophobicContact CG-CD2 3.87Å; A81-L100 HydrophobicContact CB-CD2 4.46Å; I83-L100 HydrophobicContact CD1-CD1 4.1Å; P98-L100 VanDerWaalsContact C-N 3.32Å
101	T	96	Very high	94.6	Very high	53 Å²	53	59.6 Å²	59.6	33%	0.325	33%	0.329	S	S	.	.			trans	-81.5	123.5	170.7	-51.1	0	0	0	0	109.4	W80 P82 I83 Y103	W80-T101 PolarHBondContact NE1-OG1 3.1Å; W80-T101 VanDerWaalsContact NE1-OG1 3.15Å; P82-T101 CarbonylContact C-O 3.56Å; P82-T101 WeakPolarHBondContact CA-O 3.31Å; I83-T101 PolarHBondContact N-O 2.73Å; T101-Y103 HydrophobicContact CG2-CD2 4.26Å; T101-Y103 HydrophobicContact CG2-CE1 4.19Å; T101-Y103 HydrophobicContact CG2-CE2 3.56Å
102	V	97.9	Very high	94.3	Very high	11 Å²	11	57.9 Å²	57.9	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118	-178.4	-174.5	0	0	0	0	110.3	I83 A90 I93 K94 P104	I83-V102 HydrophobicContact CB-CG2 4.48Å; I83-V102 HydrophobicContact CD1-CG2 4.48Å; I83-V102 CarbonylContact O-C 3.58Å; I83-V102 WeakPolarHBondContact O-CA 3.47Å; A90-V102 HydrophobicContact CB-CG1 3.9Å; I93-V102 HydrophobicContact CB-CG1 4.31Å; I93-V102 HydrophobicContact CB-CG2 4.33Å; I93-V102 HydrophobicContact CG2-CG1 4.29Å; I93-V102 HydrophobicContact CG2-CG2 3.69Å; K94-V102 HydrophobicContact CD-CB 4.34Å; K94-V102 WeakPolarHBondContact CE-O 3.35Å; K94-V102 HydrophobicContact CG-CB 3.64Å; K94-V102 HydrophobicContact CG-CG1 4.19Å; K94-V102 HydrophobicContact CG-CG2 3.81Å; V102-P104 WeakPolarHBondContact O-CD 3.36Å
103	Y	96.7	Very high	94	Very high	92 Å²	92	58.7 Å²	58.7	36%	0.361	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	108.2	178.2	-64	-74.1	0	0	0	110.2	W80 P82 I83 V84 C85 T101 S105	W80-Y103 AromaticContact CZ2-CE2 4Å; W80-Y103 HydrophobicContact CZ2-CE2 4Å; P82-Y103 HydrophobicContact CB-CD2 4.07Å; P82-Y103 HydrophobicContact CB-CE2 3.69Å; I83-Y103 PolarHBondContact O-N 2.87Å; V84-Y103 HydrophobicContact CG2-CD2 4.32Å; C85-Y103 PolarHBondContact N-O 3.31Å; C85-Y103 VanDerWaalsContact N-O 3.14Å; T101-Y103 HydrophobicContact CG2-CD2 4.26Å; T101-Y103 HydrophobicContact CG2-CE1 4.19Å; T101-Y103 HydrophobicContact CG2-CE2 3.56Å; Y103-S105 PolarHBondContact O-N 3.17Å
104	P	96.1	Very high	93.7	Very high	49 Å²	49	63.4 Å²	63.4	32%	0.318	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	77.8	172.3	30.5	-31.8	0	0	0	108.4	P87 A90 V102	P87-P104 HydrophobicContact CB-CB 4.19Å; A90-P104 HydrophobicContact CB-CB 3.61Å; A90-P104 HydrophobicContact CB-CG 4.42Å; V102-P104 WeakPolarHBondContact O-CD 3.36Å
105	S	94.8	Very high	93.5	Very high	12 Å²	12	58.6 Å²	58.6	8%	0.084	32%	0.321	C	S	.	.			trans	-142.8	-1.1	-166.3	-49.8	0	0	0	0	114.4	C85 Y103 E107 F110 F111	C85-S105 PolarHBondContact O-N 2.83Å; C85-S105 VanDerWaalsContact O-N 3.17Å; Y103-S105 PolarHBondContact O-N 3.17Å; S105-E107 PolarHBondContact O-N 3.43Å; S105-F110 VanDerWaalsContact OG-CE1 3.28Å; S105-F110 WeakPolarHBondContact OG-CE1 3.14Å; S105-F111 VanDerWaalsContact O-CA 3.23Å; S105-F111 WeakPolarHBondContact O-CA 3.44Å; S105-F111 WeakPolarHBondContact O-CB 3.49Å; S105-F111 PolarHBondContact O-N 3.08Å
106	L	94.4	Very high	93.3	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	31%	0.305	C	S	.	.			trans	-82	71	175.7	-166.6	65.6	0	0	0	109.9	I56 V84 C85 F111 L131 T137 L140	I56-L106 HydrophobicContact CG2-CD1 3.87Å; I56-L106 HydrophobicContact CG2-CD2 4.3Å; V84-L106 HydrophobicContact CG1-CB 4.28Å; C85-L106 VanDerWaalsContact O-CB 3.3Å; C85-L106 WeakPolarHBondContact O-CB 3.49Å; C85-L106 PolarHBondContact O-N 3.39Å; L106-F111 HydrophobicContact CD1-CD1 3.87Å; L106-F111 HydrophobicContact CD1-CD2 4.29Å; L106-F111 HydrophobicContact CD1-CE1 3.85Å; L106-F111 HydrophobicContact CD1-CE2 4.32Å; L106-F111 HydrophobicContact CD1-CG 4.09Å; L106-F111 HydrophobicContact CD1-CZ 4.09Å; L106-L131 HydrophobicContact CD2-CD2 3.55Å; L106-T137 HydrophobicContact CD2-CG2 4.13Å; L106-L140 HydrophobicContact CD1-CB 4.19Å; L106-L140 HydrophobicContact CD1-CD1 4.01Å; L106-L140 HydrophobicContact CG-CD1 4.22Å
107	E	93.2	Very high	93.2	Very high	83 Å²	83	54.9 Å²	54.9	39%	0.388	30%	0.303	S	S	.	.	S	Bend	trans	-144.7	156.2	175.2	65.6	-175.3	161.3	0	0	110	P87 S105 F110 F111	P87-E107 HydrophobicContact CG-CB 4.26Å; P87-E107 HydrophobicContact CG-CG 4.24Å; P87-E107 WeakPolarHBondContact CG-OE2 3.24Å; S105-E107 PolarHBondContact O-N 3.43Å; E107-F110 HydrophobicContact CG-CB 3.97Å; E107-F111 WeakPolarHBondContact O-CB 3.43Å; E107-F111 PolarHBondContact O-N 2.76Å
108	D	88.4	Confident	93.2	Very high	78 Å²	78	55.4 Å²	55.4	42%	0.417	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	139.6	-177.6	-89.8	-30.4	0	0	0	112.1	F110 Q112 R139 L140	D108-F110 PolarHBondContact O-N 2.85Å; D108-Q112 PolarHBondContact OD1-NE2 2.89Å; D108-R139 IonicContact OD2-NH2 3.6Å; D108-R139 PolarHBondContact OD2-NH2 3.38Å; D108-L140 WeakPolarHBondContact OD1-CD2 3.21Å
109	G	88.4	Confident	93.3	Very high	50 Å²	50	49.6 Å²	49.6	52%	0.515	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-58.6	-175.9	0	0	0	0	0	113	S113	G109-S113 PolarHBondContact O-N 3.14Å
110	F	87.1	Confident	93.4	Very high	90 Å²	90	50.3 Å²	50.3	40%	0.395	26%	0.264	S	S	.	.	H	α-helix	trans	-68.6	-44.9	-174.4	-168.4	-114.9	0	0	0	112.1	S105 E107 D108 Q112 S113	S105-F110 VanDerWaalsContact OG-CE1 3.28Å; S105-F110 WeakPolarHBondContact OG-CE1 3.14Å; E107-F110 HydrophobicContact CG-CB 3.97Å; D108-F110 PolarHBondContact O-N 2.85Å; F110-Q112 PolarHBondContact O-N 3.11Å; F110-S113 PolarHBondContact O-N 2.77Å; F110-S113 PolarHBondContact O-OG 3.43Å
111	F	91.9	Very high	93.5	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-50.5	179.6	-171.9	-131.3	0	0	0	111.4	I56 V84 S105 L106 E107 S113 K114 I115 L118 L140 F144	I56-F111 HydrophobicContact CD1-CZ 4.11Å; I56-F111 HydrophobicContact CG2-CZ 4.37Å; V84-F111 HydrophobicContact CB-CE2 4.48Å; V84-F111 HydrophobicContact CG1-CD2 3.87Å; V84-F111 HydrophobicContact CG1-CE2 3.68Å; S105-F111 VanDerWaalsContact O-CA 3.23Å; S105-F111 WeakPolarHBondContact O-CA 3.44Å; S105-F111 WeakPolarHBondContact O-CB 3.49Å; S105-F111 PolarHBondContact O-N 3.08Å; L106-F111 HydrophobicContact CD1-CD1 3.87Å; L106-F111 HydrophobicContact CD1-CD2 4.29Å; L106-F111 HydrophobicContact CD1-CE1 3.85Å; L106-F111 HydrophobicContact CD1-CE2 4.32Å; L106-F111 HydrophobicContact CD1-CG 4.09Å; L106-F111 HydrophobicContact CD1-CZ 4.09Å; E107-F111 WeakPolarHBondContact O-CB 3.43Å; E107-F111 PolarHBondContact O-N 2.76Å; F111-S113 PolarHBondContact O-N 2.95Å; F111-K114 WeakPolarHBondContact O-CA 3.44Å; F111-K114 PolarHBondContact O-N 3Å; F111-I115 HydrophobicContact CD1-CD1 3.82Å; F111-I115 HydrophobicContact CD1-CG1 3.96Å; F111-I115 HydrophobicContact CD2-CG1 4.34Å; F111-I115 HydrophobicContact CE1-CD1 3.73Å; F111-I115 HydrophobicContact CE1-CG1 3.79Å; F111-I115 HydrophobicContact CE2-CG1 4.14Å; F111-I115 HydrophobicContact CG-CG1 4.25Å; F111-I115 HydrophobicContact CZ-CD1 4.31Å; F111-I115 HydrophobicContact CZ-CG1 3.88Å; F111-I115 WeakPolarHBondContact O-CG1 3.3Å; F111-I115 PolarHBondContact O-N 3.24Å; F111-L118 HydrophobicContact CE2-CD2 4.37Å; F111-L140 HydrophobicContact CB-CD1 4.26Å; F111-L140 HydrophobicContact CB-CD2 4.28Å; F111-L140 HydrophobicContact CD1-CB 3.84Å; F111-L140 HydrophobicContact CD1-CD1 4.27Å; F111-L140 HydrophobicContact CD1-CD2 4.09Å; F111-L140 HydrophobicContact CD1-CG 4.29Å; F111-L140 HydrophobicContact CE1-CB 4.24Å; F111-F144 HydrophobicContact CE1-CB 4.02Å; F111-F144 HydrophobicContact CZ-CB 4.23Å; F111-F144 AromaticContact CZ-CD2 3.95Å; F111-F144 HydrophobicContact CZ-CD2 3.95Å; F111-F144 HydrophobicContact CZ-CG 4.34Å
112	Q	90.8	Very high	93.5	Very high	53 Å²	53	52.1 Å²	52.1	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-55.1	-39.8	-177.1	-67.9	88.1	-24.7	0	0	111.8	D108 F110 K114 L140 I143	D108-Q112 PolarHBondContact OD1-NE2 2.89Å; F110-Q112 PolarHBondContact O-N 3.11Å; Q112-K114 PolarHBondContact O-N 3.48Å; Q112-L140 HydrophobicContact CG-CD2 4.32Å; Q112-I143 HydrophobicContact CG-CD1 4.07Å
113	S	91.6	Very high	93.5	Very high	77 Å²	77	53.3 Å²	53.3	54%	0.538	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-21.6	177.1	79.9	0	0	0	0	113.9	G109 F110 F111	G109-S113 PolarHBondContact O-N 3.14Å; F110-S113 PolarHBondContact O-N 2.77Å; F110-S113 PolarHBondContact O-OG 3.43Å; F111-S113 PolarHBondContact O-N 2.95Å
114	K	92.1	Very high	93.6	Very high	98 Å²	98	49 Å²	49	43%	0.426	26%	0.257	S	S	.	.	H	α-helix	trans	-101.8	-21.1	-176.5	-60.3	-62.7	179.4	-176.8	0	113.5	F111 Q112 D116 T117 L118	F111-K114 WeakPolarHBondContact O-CA 3.44Å; F111-K114 PolarHBondContact O-N 3Å; Q112-K114 PolarHBondContact O-N 3.48Å; K114-D116 VanDerWaalsContact C-N 3.34Å; K114-D116 PolarHBondContact O-N 3.02Å; K114-T117 PolarHBondContact O-N 2.89Å; K114-L118 PolarHBondContact O-N 3.03Å
115	I	93.5	Very high	93.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-50.8	-51.4	-175.1	-68.1	172.6	0	0	0	111.5	F111 T117 L118 L119 I143 F144 K147	F111-I115 HydrophobicContact CD1-CD1 3.82Å; F111-I115 HydrophobicContact CD1-CG1 3.96Å; F111-I115 HydrophobicContact CD2-CG1 4.34Å; F111-I115 HydrophobicContact CE1-CD1 3.73Å; F111-I115 HydrophobicContact CE1-CG1 3.79Å; F111-I115 HydrophobicContact CE2-CG1 4.14Å; F111-I115 HydrophobicContact CG-CG1 4.25Å; F111-I115 HydrophobicContact CZ-CD1 4.31Å; F111-I115 HydrophobicContact CZ-CG1 3.88Å; F111-I115 WeakPolarHBondContact O-CG1 3.3Å; F111-I115 PolarHBondContact O-N 3.24Å; I115-T117 VanDerWaalsContact C-N 3.25Å; I115-T117 PolarHBondContact O-N 3.26Å; I115-L118 WeakPolarHBondContact O-CB 3.17Å; I115-L118 PolarHBondContact O-N 3.01Å; I115-L118 VanDerWaalsContact O-N 3.15Å; I115-L119 HydrophobicContact CG2-CD1 3.53Å; I115-L119 HydrophobicContact CG2-CG 3.99Å; I115-L119 WeakPolarHBondContact O-CB 3.48Å; I115-L119 VanDerWaalsContact O-CG 3.3Å; I115-L119 WeakPolarHBondContact O-CG 3.35Å; I115-L119 PolarHBondContact O-N 2.89Å; I115-I143 HydrophobicContact CD1-CB 4.41Å; I115-I143 HydrophobicContact CD1-CG2 3.73Å; I115-F144 HydrophobicContact CD1-CB 4.39Å; I115-F144 HydrophobicContact CG1-CD2 4.44Å; I115-F144 HydrophobicContact CG2-CD2 3.99Å; I115-K147 HydrophobicContact CB-CD 4.3Å; I115-K147 HydrophobicContact CG2-CB 4.21Å; I115-K147 HydrophobicContact CG2-CD 3.54Å
116	D	94.5	Very high	93.9	Very high	53 Å²	53	46 Å²	46	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-34.8	-176.2	-75.9	-49.5	0	0	0	113	K114 R120 K147 R151	K114-D116 VanDerWaalsContact C-N 3.34Å; K114-D116 PolarHBondContact O-N 3.02Å; D116-R120 WeakPolarHBondContact O-CG 3.42Å; D116-R120 PolarHBondContact O-N 3.21Å; D116-R120 PolarHBondContact O-NH1 3.24Å; D116-K147 VanDerWaalsContact CG-NZ 3.32Å; D116-K147 IonicContact OD1-NZ 2.67Å; D116-K147 PolarHBondContact OD1-NZ 3.49Å; D116-K147 IonicContact OD2-NZ 2.82Å; D116-K147 PolarHBondContact OD2-NZ 3.37Å; D116-R151 PolarHBondContact O-NH1 2.85Å; D116-R151 VanDerWaalsContact O-NH1 3.08Å; D116-R151 IonicContact OD1-CZ 3.83Å; D116-R151 IonicContact OD1-NH2 3.83Å; D116-R151 PolarHBondContact OD1-NH2 2.84Å
117	T	94.5	Very high	94.1	Very high	60 Å²	60	45.9 Å²	45.9	37%	0.368	24%	0.238	S	C	.	.	H	α-helix	trans	-71.9	-44.4	175.6	-60.1	0	0	0	0	110.8	K114 I115 R120 H121	K114-T117 PolarHBondContact O-N 2.89Å; I115-T117 VanDerWaalsContact C-N 3.25Å; I115-T117 PolarHBondContact O-N 3.26Å; T117-R120 PolarHBondContact O-N 3.05Å; T117-R120 PolarHBondContact OG1-NH2 3.41Å; T117-H121 PolarHBondContact O-ND1 3.14Å
118	L	94.9	Very high	94.3	Very high	19 Å²	19	42 Å²	42	10%	0.099	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-51.2	176.6	-178.4	64.1	0	0	0	111.1	V84 F111 K114 I115 R120 H121 I122 F144	V84-L118 HydrophobicContact CG2-CD1 4.46Å; V84-L118 HydrophobicContact CG2-CD2 3.87Å; F111-L118 HydrophobicContact CE2-CD2 4.37Å; K114-L118 PolarHBondContact O-N 3.03Å; I115-L118 WeakPolarHBondContact O-CB 3.17Å; I115-L118 PolarHBondContact O-N 3.01Å; I115-L118 VanDerWaalsContact O-N 3.15Å; L118-R120 PolarHBondContact O-N 3.17Å; L118-R120 VanDerWaalsContact O-N 3.1Å; L118-H121 PolarHBondContact O-N 3.14Å; L118-I122 HydrophobicContact CD1-CG2 3.87Å; L118-I122 HydrophobicContact CG-CD1 4.34Å; L118-I122 HydrophobicContact CG-CG2 4.36Å; L118-I122 WeakPolarHBondContact O-CG2 3.42Å; L118-I122 PolarHBondContact O-N 3.37Å; L118-F144 HydrophobicContact CD2-CE2 4.22Å
119	L	95.6	Very high	94.7	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-60.2	-20	179.7	-71.8	175.6	0	0	0	114.2	I115 I122 F144 K147 A148 L153	I115-L119 HydrophobicContact CG2-CD1 3.53Å; I115-L119 HydrophobicContact CG2-CG 3.99Å; I115-L119 WeakPolarHBondContact O-CB 3.48Å; I115-L119 VanDerWaalsContact O-CG 3.3Å; I115-L119 WeakPolarHBondContact O-CG 3.35Å; I115-L119 PolarHBondContact O-N 2.89Å; L119-I122 HydrophobicContact CD2-CD1 4.4Å; L119-F144 HydrophobicContact CD2-CD2 4.35Å; L119-F144 HydrophobicContact CD2-CE2 3.49Å; L119-F144 VanDerWaalsContact CD2-CE2 3.49Å; L119-F144 HydrophobicContact CD2-CZ 3.64Å; L119-F144 HydrophobicContact CG-CE2 4.05Å; L119-K147 HydrophobicContact CD1-CB 3.49Å; L119-K147 VanDerWaalsContact CD1-CB 3.49Å; L119-A148 HydrophobicContact CD2-CB 4.2Å; L119-L153 HydrophobicContact CD2-CD2 3.52Å
120	R	95.1	Very high	95.1	Very high	150 Å²	150	36.1 Å²	36.1	57%	0.566	18%	0.177	S	C	*	.	H	α-helix	trans	-80.3	-21.3	174.2	-76.2	-169.5	-57.2	-87.6	1.3	113.2	D116 T117 L118	D116-R120 WeakPolarHBondContact O-CG 3.42Å; D116-R120 PolarHBondContact O-N 3.21Å; D116-R120 PolarHBondContact O-NH1 3.24Å; T117-R120 PolarHBondContact O-N 3.05Å; T117-R120 PolarHBondContact OG1-NH2 3.41Å; L118-R120 PolarHBondContact O-N 3.17Å; L118-R120 VanDerWaalsContact O-N 3.1Å
121	H	95.1	Very high	95.5	Very high	97 Å²	97	32 Å²	32	45%	0.449	16%	0.159	S	C	.	.	H	α-helix	trans	-105.9	-14.4	-171.8	-63.9	99.7	0	0	0	113.2	K52 W80 T117 L118	K52-H121 WeakPolarHBondContact CD-O 3.46Å; K52-H121 VanDerWaalsContact CE-O 3.3Å; K52-H121 WeakPolarHBondContact CE-O 3.38Å; K52-H121 PolarHBondContact NZ-O 2.97Å; W80-H121 HydrophobicContact CZ3-CB 4.38Å; T117-H121 PolarHBondContact O-ND1 3.14Å; L118-H121 PolarHBondContact O-N 3.14Å
122	I	97.6	Very high	95.6	Very high	8 Å²	8	32 Å²	32	4%	0.041	16%	0.161	C	C	.	.			trans	-103.9	152.2	-174.5	67.7	170.9	0	0	0	110.5	C54 W80 L118 L119 A125 F144 L153	C54-I122 HydrophobicContact CB-CB 4.09Å; C54-I122 HydrophobicContact CB-CD1 3.53Å; C54-I122 HydrophobicContact CB-CG1 4.42Å; C54-I122 HydrophobicContact CB-CG2 3.71Å; W80-I122 HydrophobicContact CZ3-CG2 4.19Å; L118-I122 HydrophobicContact CD1-CG2 3.87Å; L118-I122 HydrophobicContact CG-CD1 4.34Å; L118-I122 HydrophobicContact CG-CG2 4.36Å; L118-I122 WeakPolarHBondContact O-CG2 3.42Å; L118-I122 PolarHBondContact O-N 3.37Å; L119-I122 HydrophobicContact CD2-CD1 4.4Å; I122-A125 HydrophobicContact CD1-CB 4.12Å; I122-F144 HydrophobicContact CD1-CZ 4.29Å; I122-L153 HydrophobicContact CD1-CD2 3.64Å; I122-L153 HydrophobicContact CG1-CD1 4.28Å; I122-L153 HydrophobicContact CG1-CD2 4Å
123	D	97.9	Very high	95.7	Very high	36 Å²	36	35.6 Å²	35.6	19%	0.193	17%	0.172	C	C	.	.	S	Bend	trans	-101.7	-29.9	178.7	-50.3	-44.6	0	0	0	111.8	G51 K52 L153 P154 H263	G51-D123 WeakPolarHBondContact CA-OD2 3.38Å; K52-D123 WeakPolarHBondContact CB-OD2 3.36Å; K52-D123 WeakPolarHBondContact CE-OD1 3.3Å; K52-D123 WeakPolarHBondContact CE-OD2 3.28Å; K52-D123 PolarHBondContact N-OD2 3.26Å; K52-D123 IonicContact NZ-OD1 2.79Å; K52-D123 PolarHBondContact NZ-OD1 3.4Å; K52-D123 IonicContact NZ-OD2 2.9Å; K52-D123 PolarHBondContact O-N 3.18Å; D123-L153 VanDerWaalsContact O-CD1 3.3Å; D123-L153 WeakPolarHBondContact O-CD1 3.48Å; D123-P154 WeakPolarHBondContact O-CD 3.36Å; D123-H263 WeakPolarHBondContact CB-ND1 3.29Å; D123-H263 IonicContact OD2-CE1 2.9Å; D123-H263 IonicContact OD2-ND1 3.95Å; D123-H263 IonicContact OD2-NE2 3Å
124	V	98.6	Very high	95.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146.2	178.5	-175.6	0	0	0	0	109	K52 I53 C54 P154 A259 L262 H263	K52-V124 PolarHBondContact O-N 2.75Å; I53-V124 HydrophobicContact CD1-CB 3.83Å; I53-V124 HydrophobicContact CD1-CG2 4.04Å; C54-V124 PolarHBondContact N-O 3.11Å; V124-P154 WeakPolarHBondContact CA-O 3.36Å; V124-P154 HydrophobicContact CB-CB 4.46Å; V124-P154 HydrophobicContact CG1-CB 4.13Å; V124-P154 WeakPolarHBondContact CG1-O 3.34Å; V124-P154 HydrophobicContact CG2-CB 4.05Å; V124-P154 HydrophobicContact CG2-CG 4.39Å; V124-A259 HydrophobicContact CB-CB 4.41Å; V124-A259 HydrophobicContact CG1-CB 3.69Å; V124-L262 HydrophobicContact CG1-CD2 4.06Å; V124-H263 HydrophobicContact CG2-CB 3.84Å
125	A	98.6	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.6	171.7	0	0	0	0	0	112.2	C54 I122 F144 L153 P154 V155 V156	C54-A125 CarbonylContact O-C 3.59Å; C54-A125 VanDerWaalsContact O-CA 3.31Å; C54-A125 WeakPolarHBondContact O-CA 3.25Å; I122-A125 HydrophobicContact CD1-CB 4.12Å; A125-F144 HydrophobicContact CB-CE1 3.69Å; A125-F144 HydrophobicContact CB-CZ 3.62Å; A125-L153 HydrophobicContact CB-CD2 3.95Å; A125-P154 PolarHBondContact N-O 3.12Å; A125-V155 HydrophobicContact CB-CG2 4.43Å; A125-V155 CarbonylContact O-C 3.57Å; A125-V155 VanDerWaalsContact O-CA 3.27Å; A125-V155 WeakPolarHBondContact O-CA 3.5Å; A125-V156 PolarHBondContact O-N 2.96Å
126	I	98.7	Very high	95.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.3	167.3	-54.6	176.7	0	0	0	106.5	I53 C54 I55 I56 S69 P129 V156 T255 A259	I53-I126 HydrophobicContact CG2-CD1 3.93Å; I53-I126 HydrophobicContact CG2-CG1 4.23Å; C54-I126 PolarHBondContact O-N 2.9Å; I55-I126 HydrophobicContact CG1-CB 4.47Å; I55-I126 HydrophobicContact CG1-CD1 4.16Å; I56-I126 PolarHBondContact N-O 3.07Å; S69-I126 WeakPolarHBondContact OG-CD1 3.47Å; I126-P129 HydrophobicContact CG2-CG 3.74Å; I126-V156 CarbonylContact C-O 3.51Å; I126-V156 VanDerWaalsContact CA-O 3.31Å; I126-V156 WeakPolarHBondContact CA-O 3.23Å; I126-V156 HydrophobicContact CG1-CB 4.38Å; I126-T255 WeakPolarHBondContact CD1-O 3.38Å; I126-A259 HydrophobicContact CD1-CB 3.61Å; I126-A259 HydrophobicContact CG1-CB 3.6Å
127	L	98	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.1	-176.5	-177.5	62.3	0	0	0	109.8	I56 L131 A141 F144 L145 V155 V156 I157 D158 F165	I56-L127 HydrophobicContact CB-CD1 3.63Å; I56-L127 HydrophobicContact CD1-CD1 4.42Å; I56-L127 HydrophobicContact CG2-CD1 3.47Å; I56-L127 VanDerWaalsContact CG2-CD1 3.47Å; L127-L131 HydrophobicContact CD1-CD1 3.9Å; L127-L131 HydrophobicContact CG-CD1 4.34Å; L127-A141 HydrophobicContact CD1-CB 4.04Å; L127-A141 HydrophobicContact CD2-CB 4.17Å; L127-A141 HydrophobicContact CG-CB 4.43Å; L127-F144 HydrophobicContact CD2-CD1 4.26Å; L127-L145 HydrophobicContact CD2-CB 4.47Å; L127-V155 HydrophobicContact CB-CG1 4.42Å; L127-V156 PolarHBondContact N-O 3.13Å; L127-I157 HydrophobicContact CB-CG1 4.4Å; L127-I157 WeakPolarHBondContact O-CA 3.46Å; L127-D158 PolarHBondContact O-N 3.38Å; L127-F165 HydrophobicContact CD2-CE2 3.44Å; L127-F165 VanDerWaalsContact CD2-CE2 3.44Å; L127-F165 HydrophobicContact CD2-CZ 3.48Å; L127-F165 VanDerWaalsContact CD2-CZ 3.48Å; L127-F165 HydrophobicContact CG-CE2 4.14Å
128	G	97.1	Very high	95.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.			trans	142.2	-42.6	-178.6	0	0	0	0	0	117.6	I56 G130 L131 D158	I56-G128 PolarHBondContact O-N 3.42Å; I56-G128 VanDerWaalsContact O-N 3.12Å; G128-G130 PolarHBondContact O-N 3.42Å; G128-L131 PolarHBondContact O-N 2.85Å; G128-D158 VanDerWaalsContact CA-O 3.25Å; G128-D158 WeakPolarHBondContact CA-O 3.32Å
129	P	97.2	Very high	95.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	102.8	-171.2	-31.4	37.5	0	0	0	112.7	I55 G57 G58 A65 I126 L131	I55-P129 HydrophobicContact CG2-CB 4.49Å; I55-P129 HydrophobicContact CG2-CG 4.35Å; G57-P129 CarbonylContact C-O 3.52Å; G57-P129 WeakPolarHBondContact CA-O 3.36Å; G58-P129 PolarHBondContact N-O 3.04Å; A65-P129 HydrophobicContact CB-CB 4.09Å; I126-P129 HydrophobicContact CG2-CG 3.74Å; P129-L131 PolarHBondContact O-N 3.34Å
130	G	96.5	Very high	95.4	Very high	5 Å²	5	37.3 Å²	37.3	5%	0.052	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	36.9	-179.3	0	0	0	0	0	115	G58 S59 G128 G132	G58-G130 CarbonylContact C-O 3.58Å; G58-G130 WeakPolarHBondContact CA-O 3.42Å; G58-G130 PolarHBondContact N-O 2.91Å; S59-G130 WeakPolarHBondContact CB-O 3.49Å; S59-G130 PolarHBondContact N-O 2.93Å; G128-G130 PolarHBondContact O-N 3.42Å; G130-G132 PolarHBondContact O-N 2.98Å
131	L	95.2	Very high	95.4	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	15%	0.151	C	C	.	.			trans	-66.6	-21.4	173.1	-73.7	175	0	0	0	112.8	I56 L106 L127 G128 P129 T137 D160 F164	I56-L131 HydrophobicContact CG2-CD2 4.29Å; L106-L131 HydrophobicContact CD2-CD2 3.55Å; L127-L131 HydrophobicContact CD1-CD1 3.9Å; L127-L131 HydrophobicContact CG-CD1 4.34Å; G128-L131 PolarHBondContact O-N 2.85Å; P129-L131 PolarHBondContact O-N 3.34Å; L131-T137 HydrophobicContact CB-CG2 3.99Å; L131-T137 HydrophobicContact CD2-CG2 3.81Å; L131-T137 HydrophobicContact CG-CG2 4.38Å; L131-D160 HydrophobicContact CB-CB 3.86Å; L131-D160 PolarHBondContact N-OD2 2.84Å; L131-F164 HydrophobicContact CB-CE2 4.06Å; L131-F164 HydrophobicContact CD1-CD2 4.34Å; L131-F164 HydrophobicContact CD1-CE2 4.3Å
132	G	93.9	Very high	95.4	Very high	4 Å²	4	27 Å²	27	4%	0.041	14%	0.138	C	C	.	.			trans	74.8	-163	-170.1	0	0	0	0	0	112.1	G130 D160 F164	G130-G132 PolarHBondContact O-N 2.98Å; G132-D160 WeakPolarHBondContact CA-OD2 3.37Å; G132-D160 PolarHBondContact N-OD2 2.93Å; G132-D160 WeakPolarHBondContact O-CB 3.34Å; G132-F164 WeakPolarHBondContact O-CE2 3.49Å; G132-F164 VanDerWaalsContact O-CZ 3.26Å; G132-F164 WeakPolarHBondContact O-CZ 3.11Å
133	R	92.8	Very high	95.3	Very high	128 Å²	128	29 Å²	29	48%	0.483	15%	0.149	S	C	.	.	S	Bend	trans	-119.9	11.7	-173	-59.7	-62.7	-176.5	-156.7	2.3	113.5	D160 H163	R133-D160 IonicContact CZ-OD1 3.08Å; R133-D160 IonicContact NE-OD1 3.92Å; R133-D160 PolarHBondContact NE-OD1 2.96Å; R133-D160 VanDerWaalsContact NH1-CA 3.27Å; R133-D160 PolarHBondContact NH1-O 3.36Å; R133-D160 IonicContact NH1-OD1 3.48Å; R133-D160 PolarHBondContact NH1-OD1 3.38Å; R133-D160 VanDerWaalsContact NH1-OD1 3.08Å; R133-D160 IonicContact NH2-OD1 3.39Å; R133-D160 PolarHBondContact NH2-OD1 3.04Å; R133-D160 VanDerWaalsContact NH2-OD1 3.1Å; R133-H163 PolarHBondContact NH1-CD2 3.43Å; R133-H163 VanDerWaalsContact NH1-CD2 3.29Å
134	D	92.6	Very high	95.2	Very high	83 Å²	83	27.3 Å²	27.3	44%	0.444	14%	0.139	S	C	.	.			trans	-69.3	129.9	-177.1	-177.8	76.9	0	0	0	111.4	S136 T137 G138	D134-S136 VanDerWaalsContact C-N 3.26Å; D134-S136 PolarHBondContact O-N 3.11Å; D134-S136 WeakPolarHBondContact OD2-CA 3.39Å; D134-S136 WeakPolarHBondContact OD2-CB 3.43Å; D134-S136 PolarHBondContact OD2-N 2.66Å; D134-S136 PolarHBondContact OD2-OG 3.06Å; D134-T137 WeakPolarHBondContact O-CB 3.29Å; D134-T137 PolarHBondContact O-N 3.38Å; D134-T137 VanDerWaalsContact O-N 3.11Å; D134-T137 PolarHBondContact OD2-N 3.49Å; D134-G138 PolarHBondContact O-N 2.85Å; D134-G138 VanDerWaalsContact O-N 3.13Å
135	P	91.7	Very high	95.1	Very high	90 Å²	90	27.4 Å²	27.4	58%	0.584	14%	0.14	S	C	*	.	H	α-helix	trans	-59.4	-30.6	-179.5	-27	35.5	0	0	0	114.7	G138 R139	P135-G138 PolarHBondContact O-N 2.7Å; P135-R139 PolarHBondContact O-N 2.81Å; P135-R139 VanDerWaalsContact O-N 3.12Å
136	S	92.6	Very high	95	Very high	34 Å²	34	31.2 Å²	31.2	24%	0.238	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-42.4	176	75.8	0	0	0	0	111	D134 G138 R139 L140	D134-S136 VanDerWaalsContact C-N 3.26Å; D134-S136 PolarHBondContact O-N 3.11Å; D134-S136 WeakPolarHBondContact OD2-CA 3.39Å; D134-S136 WeakPolarHBondContact OD2-CB 3.43Å; D134-S136 PolarHBondContact OD2-N 2.66Å; D134-S136 PolarHBondContact OD2-OG 3.06Å; S136-G138 VanDerWaalsContact C-N 3.3Å; S136-G138 PolarHBondContact O-N 3.32Å; S136-R139 VanDerWaalsContact CB-NH2 3.31Å; S136-R139 WeakPolarHBondContact O-CB 3.47Å; S136-R139 PolarHBondContact O-N 3.39Å; S136-R139 VanDerWaalsContact O-N 3.12Å; S136-L140 WeakPolarHBondContact O-CG 3.35Å; S136-L140 PolarHBondContact O-N 2.91Å
137	T	93.2	Very high	94.9	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.043	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-39.2	175.8	-58.7	0	0	0	0	111.2	L106 L131 D134 R139 L140 A141 F164	L106-T137 HydrophobicContact CD2-CG2 4.13Å; L131-T137 HydrophobicContact CB-CG2 3.99Å; L131-T137 HydrophobicContact CD2-CG2 3.81Å; L131-T137 HydrophobicContact CG-CG2 4.38Å; D134-T137 WeakPolarHBondContact O-CB 3.29Å; D134-T137 PolarHBondContact O-N 3.38Å; D134-T137 VanDerWaalsContact O-N 3.11Å; D134-T137 PolarHBondContact OD2-N 3.49Å; T137-R139 PolarHBondContact O-N 3.26Å; T137-L140 PolarHBondContact O-N 3.19Å; T137-A141 WeakPolarHBondContact O-CB 3.26Å; T137-A141 PolarHBondContact O-N 3.48Å; T137-F164 HydrophobicContact CG2-CE2 4.45Å
138	G	93	Very high	94.9	Very high	8 Å²	8	33.9 Å²	33.9	8%	0.082	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-39.7	173.7	0	0	0	0	0	113.8	D134 P135 S136 T142	D134-G138 PolarHBondContact O-N 2.85Å; D134-G138 VanDerWaalsContact O-N 3.13Å; P135-G138 PolarHBondContact O-N 2.7Å; S136-G138 VanDerWaalsContact C-N 3.3Å; S136-G138 PolarHBondContact O-N 3.32Å; G138-T142 WeakPolarHBondContact O-CB 3.47Å; G138-T142 PolarHBondContact O-N 2.9Å; G138-T142 PolarHBondContact O-OG1 2.97Å
139	R	93.7	Very high	94.9	Very high	130 Å²	130	37.5 Å²	37.5	49%	0.491	18%	0.183	S	C	.	.	H	α-helix	trans	-64.9	-44.4	173.4	-68	-170.3	-56.6	-92.8	2.5	111.7	D108 P135 S136 T137 A141 T142 I143	D108-R139 IonicContact OD2-NH2 3.6Å; D108-R139 PolarHBondContact OD2-NH2 3.38Å; P135-R139 PolarHBondContact O-N 2.81Å; P135-R139 VanDerWaalsContact O-N 3.12Å; S136-R139 VanDerWaalsContact CB-NH2 3.31Å; S136-R139 WeakPolarHBondContact O-CB 3.47Å; S136-R139 PolarHBondContact O-N 3.39Å; S136-R139 VanDerWaalsContact O-N 3.12Å; T137-R139 PolarHBondContact O-N 3.26Å; R139-A141 PolarHBondContact O-N 2.91Å; R139-T142 WeakPolarHBondContact O-CB 3.33Å; R139-T142 PolarHBondContact O-N 3.42Å; R139-I143 WeakPolarHBondContact O-CG1 3.36Å; R139-I143 PolarHBondContact O-N 3.49Å
140	L	94.9	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-43.9	177.5	-65.2	-174.8	0	0	0	112.1	L106 D108 F111 Q112 S136 T137 T142 I143 F144	L106-L140 HydrophobicContact CD1-CB 4.19Å; L106-L140 HydrophobicContact CD1-CD1 4.01Å; L106-L140 HydrophobicContact CG-CD1 4.22Å; D108-L140 WeakPolarHBondContact OD1-CD2 3.21Å; F111-L140 HydrophobicContact CB-CD1 4.26Å; F111-L140 HydrophobicContact CB-CD2 4.28Å; F111-L140 HydrophobicContact CD1-CB 3.84Å; F111-L140 HydrophobicContact CD1-CD1 4.27Å; F111-L140 HydrophobicContact CD1-CD2 4.09Å; F111-L140 HydrophobicContact CD1-CG 4.29Å; F111-L140 HydrophobicContact CE1-CB 4.24Å; Q112-L140 HydrophobicContact CG-CD2 4.32Å; S136-L140 WeakPolarHBondContact O-CG 3.35Å; S136-L140 PolarHBondContact O-N 2.91Å; T137-L140 PolarHBondContact O-N 3.19Å; L140-T142 VanDerWaalsContact C-N 3.32Å; L140-T142 PolarHBondContact O-N 3.44Å; L140-I143 PolarHBondContact O-N 3.02Å; L140-F144 WeakPolarHBondContact O-CB 3.47Å; L140-F144 PolarHBondContact O-N 3.03Å
141	A	95	Very high	94.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-42.2	175.5	0	0	0	0	0	111.4	L127 T137 R139 F144 L145 F165	L127-A141 HydrophobicContact CD1-CB 4.04Å; L127-A141 HydrophobicContact CD2-CB 4.17Å; L127-A141 HydrophobicContact CG-CB 4.43Å; T137-A141 WeakPolarHBondContact O-CB 3.26Å; T137-A141 PolarHBondContact O-N 3.48Å; R139-A141 PolarHBondContact O-N 2.91Å; A141-F144 PolarHBondContact O-N 3.42Å; A141-L145 WeakPolarHBondContact O-CB 3.38Å; A141-L145 PolarHBondContact O-N 3.06Å; A141-F165 HydrophobicContact CB-CZ 4.04Å
142	T	94.7	Very high	94.9	Very high	30 Å²	30	53.3 Å²	53.3	18%	0.184	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-53.3	175.2	-63	0	0	0	0	112.3	G138 R139 L140 F144 L145 E146 L171	G138-T142 WeakPolarHBondContact O-CB 3.47Å; G138-T142 PolarHBondContact O-N 2.9Å; G138-T142 PolarHBondContact O-OG1 2.97Å; R139-T142 WeakPolarHBondContact O-CB 3.33Å; R139-T142 PolarHBondContact O-N 3.42Å; L140-T142 VanDerWaalsContact C-N 3.32Å; L140-T142 PolarHBondContact O-N 3.44Å; T142-F144 VanDerWaalsContact C-N 3.26Å; T142-F144 PolarHBondContact O-N 3.15Å; T142-L145 PolarHBondContact O-N 3.24Å; T142-L145 VanDerWaalsContact O-N 3.11Å; T142-E146 WeakPolarHBondContact O-CG 3.28Å; T142-E146 PolarHBondContact O-N 2.98Å; T142-L171 HydrophobicContact CG2-CD1 3.59Å
143	I	94.8	Very high	95.1	Very high	51 Å²	51	53.8 Å²	53.8	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-39.7	179.5	-64.5	164.9	0	0	0	111	Q112 I115 R139 L140 K147	Q112-I143 HydrophobicContact CG-CD1 4.07Å; I115-I143 HydrophobicContact CD1-CB 4.41Å; I115-I143 HydrophobicContact CD1-CG2 3.73Å; R139-I143 WeakPolarHBondContact O-CG1 3.36Å; R139-I143 PolarHBondContact O-N 3.49Å; L140-I143 PolarHBondContact O-N 3.02Å; I143-K147 PolarHBondContact O-N 3.42Å
144	F	96.6	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-47.3	176.2	177.6	-90.7	0	0	0	111.8	I56 F111 I115 L118 L119 I122 A125 L127 L140 A141 T142 E146 K147 A148 L153	I56-F144 HydrophobicContact CD1-CD1 3.52Å; I56-F144 HydrophobicContact CD1-CD2 3.44Å; I56-F144 VanDerWaalsContact CD1-CD2 3.44Å; I56-F144 HydrophobicContact CD1-CE1 3.4Å; I56-F144 VanDerWaalsContact CD1-CE1 3.4Å; I56-F144 HydrophobicContact CD1-CE2 3.32Å; I56-F144 HydrophobicContact CD1-CG 3.54Å; I56-F144 HydrophobicContact CD1-CZ 3.3Å; F111-F144 HydrophobicContact CE1-CB 4.02Å; F111-F144 HydrophobicContact CZ-CB 4.23Å; F111-F144 AromaticContact CZ-CD2 3.95Å; F111-F144 HydrophobicContact CZ-CD2 3.95Å; F111-F144 HydrophobicContact CZ-CG 4.34Å; I115-F144 HydrophobicContact CD1-CB 4.39Å; I115-F144 HydrophobicContact CG1-CD2 4.44Å; I115-F144 HydrophobicContact CG2-CD2 3.99Å; L118-F144 HydrophobicContact CD2-CE2 4.22Å; L119-F144 HydrophobicContact CD2-CD2 4.35Å; L119-F144 HydrophobicContact CD2-CE2 3.49Å; L119-F144 VanDerWaalsContact CD2-CE2 3.49Å; L119-F144 HydrophobicContact CD2-CZ 3.64Å; L119-F144 HydrophobicContact CG-CE2 4.05Å; I122-F144 HydrophobicContact CD1-CZ 4.29Å; A125-F144 HydrophobicContact CB-CE1 3.69Å; A125-F144 HydrophobicContact CB-CZ 3.62Å; L127-F144 HydrophobicContact CD2-CD1 4.26Å; L140-F144 WeakPolarHBondContact O-CB 3.47Å; L140-F144 PolarHBondContact O-N 3.03Å; A141-F144 PolarHBondContact O-N 3.42Å; T142-F144 VanDerWaalsContact C-N 3.26Å; T142-F144 PolarHBondContact O-N 3.15Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 3.21Å; F144-K147 PolarHBondContact O-N 3.49Å; F144-A148 HydrophobicContact CE1-CB 4.14Å; F144-A148 WeakPolarHBondContact O-CB 3.41Å; F144-A148 PolarHBondContact O-N 3.45Å; F144-L153 HydrophobicContact CZ-CD2 4.32Å
145	L	97	Very high	95.6	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-38.1	-177.2	-172.3	65.8	0	0	0	111.9	L127 A141 T142 A148 R149 V155 I157 F165 L171 L172 Y175	L127-L145 HydrophobicContact CD2-CB 4.47Å; A141-L145 WeakPolarHBondContact O-CB 3.38Å; A141-L145 PolarHBondContact O-N 3.06Å; T142-L145 PolarHBondContact O-N 3.24Å; T142-L145 VanDerWaalsContact O-N 3.11Å; L145-A148 PolarHBondContact O-N 3.21Å; L145-R149 WeakPolarHBondContact O-CB 3.25Å; L145-R149 PolarHBondContact O-N 2.83Å; L145-V155 HydrophobicContact CD1-CB 4.43Å; L145-V155 HydrophobicContact CD1-CG1 4.17Å; L145-V155 HydrophobicContact CD1-CG2 4.19Å; L145-I157 HydrophobicContact CD1-CD1 4.16Å; L145-I157 HydrophobicContact CD2-CD1 3.95Å; L145-F165 HydrophobicContact CB-CE1 3.81Å; L145-F165 HydrophobicContact CB-CZ 3.77Å; L145-F165 HydrophobicContact CD2-CD1 3.54Å; L145-F165 HydrophobicContact CD2-CD2 4.26Å; L145-F165 HydrophobicContact CD2-CE1 3.26Å; L145-F165 HydrophobicContact CD2-CE2 4.06Å; L145-F165 HydrophobicContact CD2-CG 4.04Å; L145-F165 HydrophobicContact CD2-CZ 3.55Å; L145-F165 HydrophobicContact CG-CE1 4.15Å; L145-F165 HydrophobicContact CG-CZ 4.23Å; L145-L171 HydrophobicContact CD2-CB 4.17Å; L145-L172 HydrophobicContact CD2-CD2 3.86Å; L145-Y175 HydrophobicContact CD1-CD1 4.35Å; L145-Y175 HydrophobicContact CD1-CE1 3.97Å
146	E	96.4	Very high	96	Very high	81 Å²	81	39.7 Å²	39.7	38%	0.379	18%	0.182	S	C	.	.	H	α-helix	trans	-55.5	-54.9	173	-75.3	171.3	169.1	0	0	111.3	T142 F144 A148 R149 E150 L171	T142-E146 WeakPolarHBondContact O-CG 3.28Å; T142-E146 PolarHBondContact O-N 2.98Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 3.21Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 2.83Å; E146-R149 WeakPolarHBondContact O-CB 3.48Å; E146-R149 PolarHBondContact O-N 2.88Å; E146-R149 VanDerWaalsContact O-N 3.17Å; E146-E150 WeakPolarHBondContact O-CG 3.32Å; E146-E150 PolarHBondContact O-N 3.04Å; E146-L171 HydrophobicContact CG-CD1 4.27Å; E146-L171 HydrophobicContact CG-CD2 3.46Å; E146-L171 VanDerWaalsContact CG-CD2 3.46Å
147	K	97.1	Very high	96.2	Very high	55 Å²	55	38.1 Å²	38.1	24%	0.239	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-33.6	179.1	-73.3	177.9	166.8	-79.9	0	113	I115 D116 L119 I143 F144 R151	I115-K147 HydrophobicContact CB-CD 4.3Å; I115-K147 HydrophobicContact CG2-CB 4.21Å; I115-K147 HydrophobicContact CG2-CD 3.54Å; D116-K147 VanDerWaalsContact CG-NZ 3.32Å; D116-K147 IonicContact OD1-NZ 2.67Å; D116-K147 PolarHBondContact OD1-NZ 3.49Å; D116-K147 IonicContact OD2-NZ 2.82Å; D116-K147 PolarHBondContact OD2-NZ 3.37Å; L119-K147 HydrophobicContact CD1-CB 3.49Å; L119-K147 VanDerWaalsContact CD1-CB 3.49Å; I143-K147 PolarHBondContact O-N 3.42Å; F144-K147 PolarHBondContact O-N 3.49Å; K147-R151 WeakPolarHBondContact O-CG 3.23Å; K147-R151 PolarHBondContact O-N 2.86Å
148	A	97.8	Very high	96.4	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-45.2	173.4	0	0	0	0	0	110.3	L119 F144 L145 E146 R151 Q152 L153 V155 Y175	L119-A148 HydrophobicContact CD2-CB 4.2Å; F144-A148 HydrophobicContact CE1-CB 4.14Å; F144-A148 WeakPolarHBondContact O-CB 3.41Å; F144-A148 PolarHBondContact O-N 3.45Å; L145-A148 PolarHBondContact O-N 3.21Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 2.83Å; A148-R151 CarbonylContact O-C 3.51Å; A148-R151 PolarHBondContact O-N 3.39Å; A148-R151 VanDerWaalsContact O-N 3.15Å; A148-Q152 PolarHBondContact O-N 2.77Å; A148-L153 HydrophobicContact CB-CB 4.19Å; A148-L153 HydrophobicContact CB-CD2 4.3Å; A148-L153 PolarHBondContact O-N 3.15Å; A148-V155 HydrophobicContact CB-CG2 4.02Å; A148-Y175 PolarHBondContact O-OH 3.11Å
149	R	96.6	Very high	96.4	Very high	76 Å²	76	38.7 Å²	38.7	29%	0.287	18%	0.175	S	C	.	.	H	α-helix	trans	-62.9	-43.7	178.3	-175.6	177.4	175.3	164.1	-0.6	112.8	L145 E146 R151 Q152 Q170 L171 Q173 Y175	L145-R149 WeakPolarHBondContact O-CB 3.25Å; L145-R149 PolarHBondContact O-N 2.83Å; E146-R149 WeakPolarHBondContact O-CB 3.48Å; E146-R149 PolarHBondContact O-N 2.88Å; E146-R149 VanDerWaalsContact O-N 3.17Å; R149-R151 PolarHBondContact O-N 3.22Å; R149-Q152 PolarHBondContact O-N 3.05Å; R149-Q152 PolarHBondContact O-NE2 2.98Å; R149-Q170 PolarHBondContact NH1-O 3.11Å; R149-L171 VanDerWaalsContact NH1-C 3.28Å; R149-L171 PolarHBondContact NH1-O 3.43Å; R149-Q173 VanDerWaalsContact CZ-O 3.29Å; R149-Q173 PolarHBondContact NH1-O 2.95Å; R149-Q173 PolarHBondContact NH2-O 3.47Å; R149-Y175 VanDerWaalsContact CA-CZ 3.45Å; R149-Y175 VanDerWaalsContact CA-OH 3.28Å; R149-Y175 WeakPolarHBondContact CA-OH 3.07Å; R149-Y175 HydrophobicContact CB-CD1 4.03Å; R149-Y175 HydrophobicContact CB-CE1 3.71Å; R149-Y175 HydrophobicContact CB-CE2 4.44Å; R149-Y175 HydrophobicContact CG-CD1 4.07Å; R149-Y175 HydrophobicContact CG-CD2 4.26Å; R149-Y175 HydrophobicContact CG-CE1 4.17Å; R149-Y175 HydrophobicContact CG-CE2 4.33Å; R149-Y175 HydrophobicContact CG-CG 4.12Å; R149-Y175 PolarHBondContact N-OH 3.45Å
150	E	96.6	Very high	96.4	Very high	153 Å²	153	33.2 Å²	33.2	72%	0.715	16%	0.156	S	C	*	.	H	α-helix	trans	-55.4	-35.4	173.8	-72.1	173.6	177.7	0	0	112.2	E146	E146-E150 WeakPolarHBondContact O-CG 3.32Å; E146-E150 PolarHBondContact O-N 3.04Å
151	R	96.1	Very high	96.3	Very high	99 Å²	99	33.2 Å²	33.2	37%	0.374	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	0.6	178.4	-64.6	-176.3	-176.6	-171.6	8.5	114	D116 K147 A148 R149 L153	D116-R151 PolarHBondContact O-NH1 2.85Å; D116-R151 VanDerWaalsContact O-NH1 3.08Å; D116-R151 IonicContact OD1-CZ 3.83Å; D116-R151 IonicContact OD1-NH2 3.83Å; D116-R151 PolarHBondContact OD1-NH2 2.84Å; K147-R151 WeakPolarHBondContact O-CG 3.23Å; K147-R151 PolarHBondContact O-N 2.86Å; A148-R151 CarbonylContact O-C 3.51Å; A148-R151 PolarHBondContact O-N 3.39Å; A148-R151 VanDerWaalsContact O-N 3.15Å; R149-R151 PolarHBondContact O-N 3.22Å; R151-L153 PolarHBondContact O-N 2.99Å
152	Q	95.8	Very high	96.3	Very high	89 Å²	89	33.9 Å²	33.9	42%	0.416	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	35.3	-172	-62.6	-66.5	-58.4	0	0	112	A148 R149 R177	A148-Q152 PolarHBondContact O-N 2.77Å; R149-Q152 PolarHBondContact O-N 3.05Å; R149-Q152 PolarHBondContact O-NE2 2.98Å; Q152-R177 WeakPolarHBondContact O-CD 3.46Å; Q152-R177 PolarHBondContact O-NE 3.41Å; Q152-R177 PolarHBondContact O-NH1 3.35Å
153	L	97.8	Very high	96.3	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.073	17%	0.166	C	C	.	.			trans	-70.2	127.3	179.7	179.4	75.3	0	0	0	110.2	L119 I122 D123 A125 F144 A148 R151 V155 Y175	L119-L153 HydrophobicContact CD2-CD2 3.52Å; I122-L153 HydrophobicContact CD1-CD2 3.64Å; I122-L153 HydrophobicContact CG1-CD1 4.28Å; I122-L153 HydrophobicContact CG1-CD2 4Å; D123-L153 VanDerWaalsContact O-CD1 3.3Å; D123-L153 WeakPolarHBondContact O-CD1 3.48Å; A125-L153 HydrophobicContact CB-CD2 3.95Å; F144-L153 HydrophobicContact CZ-CD2 4.32Å; A148-L153 HydrophobicContact CB-CB 4.19Å; A148-L153 HydrophobicContact CB-CD2 4.3Å; A148-L153 PolarHBondContact O-N 3.15Å; R151-L153 PolarHBondContact O-N 2.99Å; L153-V155 VanDerWaalsContact O-CG2 3.27Å; L153-V155 WeakPolarHBondContact O-CG2 3.36Å; L153-V155 PolarHBondContact O-N 3.06Å; L153-Y175 PolarHBondContact N-OH 2.88Å; L153-Y175 PolarHBondContact O-OH 3.24Å
154	P	98.5	Very high	96.1	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.032	16%	0.159	C	C	.	.			trans	-54.4	132.1	172	-23.3	31.8	0	0	0	112.6	D123 V124 A125 R177 L262 Y266	D123-P154 WeakPolarHBondContact O-CD 3.36Å; V124-P154 WeakPolarHBondContact CA-O 3.36Å; V124-P154 HydrophobicContact CB-CB 4.46Å; V124-P154 HydrophobicContact CG1-CB 4.13Å; V124-P154 WeakPolarHBondContact CG1-O 3.34Å; V124-P154 HydrophobicContact CG2-CB 4.05Å; V124-P154 HydrophobicContact CG2-CG 4.39Å; A125-P154 PolarHBondContact N-O 3.12Å; P154-R177 WeakPolarHBondContact CA-O 3.39Å; P154-L262 HydrophobicContact CB-CD2 3.57Å; P154-L262 HydrophobicContact CB-CG 3.91Å; P154-Y266 HydrophobicContact CB-CD2 4.06Å; P154-Y266 HydrophobicContact CB-CE2 3.87Å; P154-Y266 HydrophobicContact CG-CD2 3.53Å; P154-Y266 HydrophobicContact CG-CE2 3.67Å; P154-Y266 HydrophobicContact CG-CG 4.43Å
155	V	98.6	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.7	-179.8	-172.8	0	0	0	0	110.5	A125 L127 L145 A148 L153 I157 Y175 R177 L178 I179	A125-V155 HydrophobicContact CB-CG2 4.43Å; A125-V155 CarbonylContact O-C 3.57Å; A125-V155 VanDerWaalsContact O-CA 3.27Å; A125-V155 WeakPolarHBondContact O-CA 3.5Å; L127-V155 HydrophobicContact CB-CG1 4.42Å; L145-V155 HydrophobicContact CD1-CB 4.43Å; L145-V155 HydrophobicContact CD1-CG1 4.17Å; L145-V155 HydrophobicContact CD1-CG2 4.19Å; A148-V155 HydrophobicContact CB-CG2 4.02Å; L153-V155 VanDerWaalsContact O-CG2 3.27Å; L153-V155 WeakPolarHBondContact O-CG2 3.36Å; L153-V155 PolarHBondContact O-N 3.06Å; V155-I157 HydrophobicContact CG1-CG1 3.94Å; V155-Y175 HydrophobicContact CG2-CE1 4.24Å; V155-R177 PolarHBondContact N-O 3.38Å; V155-R177 VanDerWaalsContact N-O 3.16Å; V155-L178 HydrophobicContact CB-CD1 3.9Å; V155-L178 HydrophobicContact CG1-CD1 4.12Å; V155-L178 CarbonylContact O-C 3.13Å; V155-L178 WeakPolarHBondContact O-CA 3.41Å; V155-I179 PolarHBondContact O-N 3.08Å
156	V	98.8	Very high	95.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.2	166.2	-172.8	0	0	0	0	108.2	A125 I126 L127 I179 T181 T255 V258 A259 L262	A125-V156 PolarHBondContact O-N 2.96Å; I126-V156 CarbonylContact C-O 3.51Å; I126-V156 VanDerWaalsContact CA-O 3.31Å; I126-V156 WeakPolarHBondContact CA-O 3.23Å; I126-V156 HydrophobicContact CG1-CB 4.38Å; L127-V156 PolarHBondContact N-O 3.13Å; V156-I179 CarbonylContact C-O 3.45Å; V156-I179 WeakPolarHBondContact CA-O 3.5Å; V156-I179 HydrophobicContact CG2-CB 4.47Å; V156-T181 HydrophobicContact CG1-CG2 3.87Å; V156-T255 HydrophobicContact CG1-CG2 4.26Å; V156-V258 HydrophobicContact CG1-CG1 4.26Å; V156-V258 HydrophobicContact CG2-CB 4.4Å; V156-V258 HydrophobicContact CG2-CG1 3.68Å; V156-A259 HydrophobicContact CG2-CB 4.14Å; V156-L262 HydrophobicContact CG2-CD2 4.17Å
157	I	98.4	Very high	94.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.2	176.8	-62.3	174.4	0	0	0	109.4	L127 L145 V155 G161 L162 F165 L172 L178 I179 L180 T181	L127-I157 HydrophobicContact CB-CG1 4.4Å; L127-I157 WeakPolarHBondContact O-CA 3.46Å; L145-I157 HydrophobicContact CD1-CD1 4.16Å; L145-I157 HydrophobicContact CD2-CD1 3.95Å; V155-I157 HydrophobicContact CG1-CG1 3.94Å; I157-G161 VanDerWaalsContact CG2-C 3.42Å; I157-L162 HydrophobicContact CB-CD2 4.4Å; I157-L162 HydrophobicContact CG2-CD2 3.84Å; I157-L162 HydrophobicContact CG2-CG 4.08Å; I157-F165 HydrophobicContact CD1-CD2 3.62Å; I157-F165 HydrophobicContact CD1-CE2 3.82Å; I157-F165 HydrophobicContact CD1-CG 4.34Å; I157-F165 HydrophobicContact CG1-CD2 4.45Å; I157-F165 HydrophobicContact CG1-CE2 4.43Å; I157-F165 HydrophobicContact CG2-CD2 3.95Å; I157-F165 HydrophobicContact CG2-CE2 4.38Å; I157-L172 HydrophobicContact CD1-CD2 3.78Å; I157-L178 HydrophobicContact CB-CD1 4.36Å; I157-L178 HydrophobicContact CD1-CD1 3.45Å; I157-L178 VanDerWaalsContact CD1-CD1 3.45Å; I157-L178 HydrophobicContact CD1-CD2 4.2Å; I157-L178 HydrophobicContact CD1-CG 4.42Å; I157-L178 HydrophobicContact CG1-CD1 3.6Å; I157-I179 PolarHBondContact N-O 2.86Å; I157-L180 HydrophobicContact CB-CD2 3.74Å; I157-L180 HydrophobicContact CD1-CD2 4.09Å; I157-L180 HydrophobicContact CG1-CD2 4.33Å; I157-L180 HydrophobicContact CG2-CD2 4.31Å; I157-T181 PolarHBondContact O-N 3.19Å; I157-T181 PolarHBondContact O-OG1 3.4Å
158	D	96	Very high	94.4	Very high	4 Å²	4	38 Å²	38	2%	0.021	18%	0.179	C	C	.	.			trans	-132.1	162.5	-179	-165.7	36.2	0	0	0	111.8	L127 G128 D160 G161 T181 K223 T255	L127-D158 PolarHBondContact O-N 3.38Å; G128-D158 VanDerWaalsContact CA-O 3.25Å; G128-D158 WeakPolarHBondContact CA-O 3.32Å; D158-D160 PolarHBondContact O-N 3.06Å; D158-G161 WeakPolarHBondContact O-CA 3.36Å; D158-G161 PolarHBondContact O-N 3.33Å; D158-T181 VanDerWaalsContact CB-OG1 3.23Å; D158-T181 WeakPolarHBondContact CB-OG1 3.17Å; D158-T181 VanDerWaalsContact OD1-O 3.08Å; D158-T181 PolarHBondContact OD1-OG1 2.83Å; D158-K223 IonicContact OD1-NZ 2.91Å; D158-K223 PolarHBondContact OD1-NZ 3.25Å; D158-K223 IonicContact OD2-NZ 2.59Å; D158-T255 HydrophobicContact CB-CG2 3.46Å; D158-T255 VanDerWaalsContact CB-CG2 3.46Å; D158-T255 WeakPolarHBondContact OD2-CG2 3.47Å
159	A	92.9	Very high	94.1	Very high	23 Å²	23	39.7 Å²	39.7	19%	0.19	19%	0.187	C	C	.	.	H	α-helix	trans	40.7	-110.1	168.2	0	0	0	0	0	113.9	G161 L162	A159-G161 PolarHBondContact O-N 3.03Å; A159-L162 WeakPolarHBondContact O-CB 3.39Å; A159-L162 PolarHBondContact O-N 3.46Å; A159-L162 VanDerWaalsContact O-N 3.12Å
160	D	94	Very high	94	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.08	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-29.9	-174.4	-66.9	-33.2	0	0	0	113.5	L131 G132 R133 D158 H163 F164	L131-D160 HydrophobicContact CB-CB 3.86Å; L131-D160 PolarHBondContact N-OD2 2.84Å; G132-D160 WeakPolarHBondContact CA-OD2 3.37Å; G132-D160 PolarHBondContact N-OD2 2.93Å; G132-D160 WeakPolarHBondContact O-CB 3.34Å; R133-D160 IonicContact CZ-OD1 3.08Å; R133-D160 IonicContact NE-OD1 3.92Å; R133-D160 PolarHBondContact NE-OD1 2.96Å; R133-D160 VanDerWaalsContact NH1-CA 3.27Å; R133-D160 PolarHBondContact NH1-O 3.36Å; R133-D160 IonicContact NH1-OD1 3.48Å; R133-D160 PolarHBondContact NH1-OD1 3.38Å; R133-D160 VanDerWaalsContact NH1-OD1 3.08Å; R133-D160 IonicContact NH2-OD1 3.39Å; R133-D160 PolarHBondContact NH2-OD1 3.04Å; R133-D160 VanDerWaalsContact NH2-OD1 3.1Å; D158-D160 PolarHBondContact O-N 3.06Å; D160-H163 WeakPolarHBondContact O-CB 3.37Å; D160-H163 PolarHBondContact O-N 3.34Å; D160-F164 HydrophobicContact CB-CE2 4.46Å; D160-F164 WeakPolarHBondContact O-CD2 3.09Å; D160-F164 PolarHBondContact O-N 3.44Å
161	G	93.6	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-44.5	173.7	0	0	0	0	0	111.6	I157 D158 A159 H163 F164 F165	I157-G161 VanDerWaalsContact CG2-C 3.42Å; D158-G161 WeakPolarHBondContact O-CA 3.36Å; D158-G161 PolarHBondContact O-N 3.33Å; A159-G161 PolarHBondContact O-N 3.03Å; G161-H163 PolarHBondContact O-N 3.19Å; G161-F164 PolarHBondContact O-N 2.97Å; G161-F164 VanDerWaalsContact O-N 3.14Å; G161-F165 WeakPolarHBondContact O-CD2 3.47Å; G161-F165 PolarHBondContact O-N 2.92Å
162	L	94.9	Very high	93.9	Very high	14 Å²	14	32.2 Å²	32.2	7%	0.073	16%	0.161	C	C	.	.	H	α-helix	trans	-57.1	-39.7	179.7	-66.8	171.7	0	0	0	111.8	I157 A159 S166 L180 P182 E186	I157-L162 HydrophobicContact CB-CD2 4.4Å; I157-L162 HydrophobicContact CG2-CD2 3.84Å; I157-L162 HydrophobicContact CG2-CG 4.08Å; A159-L162 WeakPolarHBondContact O-CB 3.39Å; A159-L162 PolarHBondContact O-N 3.46Å; A159-L162 VanDerWaalsContact O-N 3.12Å; L162-S166 VanDerWaalsContact O-CB 3.28Å; L162-S166 WeakPolarHBondContact O-CB 3.33Å; L162-S166 PolarHBondContact O-N 3.39Å; L162-L180 HydrophobicContact CD2-CB 3.8Å; L162-L180 HydrophobicContact CD2-CD1 4.39Å; L162-L180 HydrophobicContact CD2-CD2 3.88Å; L162-L180 HydrophobicContact CD2-CG 4.23Å; L162-P182 HydrophobicContact CD1-CB 3.94Å; L162-E186 HydrophobicContact CD1-CB 4.32Å
163	H	93.1	Very high	93.9	Very high	73 Å²	73	31.7 Å²	31.7	34%	0.338	16%	0.158	S	C	.	.	H	α-helix	trans	-65.6	-48.2	176.8	178.4	79.5	0	0	0	112.5	R133 D160 G161 F165 S166	R133-H163 PolarHBondContact NH1-CD2 3.43Å; R133-H163 VanDerWaalsContact NH1-CD2 3.29Å; D160-H163 WeakPolarHBondContact O-CB 3.37Å; D160-H163 PolarHBondContact O-N 3.34Å; G161-H163 PolarHBondContact O-N 3.19Å; H163-F165 VanDerWaalsContact C-N 3.3Å; H163-F165 PolarHBondContact O-N 3.11Å; H163-S166 WeakPolarHBondContact O-CB 3.36Å; H163-S166 PolarHBondContact O-N 2.77Å; H163-S166 PolarHBondContact O-OG 3.37Å
164	F	92.5	Very high	93.8	Very high	25 Å²	25	32.2 Å²	32.2	11%	0.11	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-42.3	180	-69.8	-54	0	0	0	111.8	L131 G132 T137 D160 G161 S166 E167	L131-F164 HydrophobicContact CB-CE2 4.06Å; L131-F164 HydrophobicContact CD1-CD2 4.34Å; L131-F164 HydrophobicContact CD1-CE2 4.3Å; G132-F164 WeakPolarHBondContact O-CE2 3.49Å; G132-F164 VanDerWaalsContact O-CZ 3.26Å; G132-F164 WeakPolarHBondContact O-CZ 3.11Å; T137-F164 HydrophobicContact CG2-CE2 4.45Å; D160-F164 HydrophobicContact CB-CE2 4.46Å; D160-F164 WeakPolarHBondContact O-CD2 3.09Å; D160-F164 PolarHBondContact O-N 3.44Å; G161-F164 PolarHBondContact O-N 2.97Å; G161-F164 VanDerWaalsContact O-N 3.14Å; F164-S166 VanDerWaalsContact C-N 3.33Å; F164-E167 PolarHBondContact O-N 3.12Å
165	F	91.9	Very high	93.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-81.3	-14.2	-179.2	-62.2	-64.6	0	0	0	114.3	L127 A141 L145 I157 G161 H163 E167 N168 L169 L171 L172	L127-F165 HydrophobicContact CD2-CE2 3.44Å; L127-F165 VanDerWaalsContact CD2-CE2 3.44Å; L127-F165 HydrophobicContact CD2-CZ 3.48Å; L127-F165 VanDerWaalsContact CD2-CZ 3.48Å; L127-F165 HydrophobicContact CG-CE2 4.14Å; A141-F165 HydrophobicContact CB-CZ 4.04Å; L145-F165 HydrophobicContact CB-CE1 3.81Å; L145-F165 HydrophobicContact CB-CZ 3.77Å; L145-F165 HydrophobicContact CD2-CD1 3.54Å; L145-F165 HydrophobicContact CD2-CD2 4.26Å; L145-F165 HydrophobicContact CD2-CE1 3.26Å; L145-F165 HydrophobicContact CD2-CE2 4.06Å; L145-F165 HydrophobicContact CD2-CG 4.04Å; L145-F165 HydrophobicContact CD2-CZ 3.55Å; L145-F165 HydrophobicContact CG-CE1 4.15Å; L145-F165 HydrophobicContact CG-CZ 4.23Å; I157-F165 HydrophobicContact CD1-CD2 3.62Å; I157-F165 HydrophobicContact CD1-CE2 3.82Å; I157-F165 HydrophobicContact CD1-CG 4.34Å; I157-F165 HydrophobicContact CG1-CD2 4.45Å; I157-F165 HydrophobicContact CG1-CE2 4.43Å; I157-F165 HydrophobicContact CG2-CD2 3.95Å; I157-F165 HydrophobicContact CG2-CE2 4.38Å; G161-F165 WeakPolarHBondContact O-CD2 3.47Å; G161-F165 PolarHBondContact O-N 2.92Å; H163-F165 VanDerWaalsContact C-N 3.3Å; H163-F165 PolarHBondContact O-N 3.11Å; F165-E167 PolarHBondContact O-N 3.12Å; F165-N168 CarbonylContact O-C 3.55Å; F165-N168 PolarHBondContact O-N 3.38Å; F165-L169 PolarHBondContact O-N 3.38Å; F165-L171 HydrophobicContact CD1-CD1 4.38Å; F165-L171 HydrophobicContact CE1-CD1 4.34Å; F165-L172 HydrophobicContact CB-CD1 3.79Å; F165-L172 HydrophobicContact CB-CD2 3.69Å; F165-L172 HydrophobicContact CB-CG 3.95Å; F165-L172 HydrophobicContact CD1-CD2 4.4Å; F165-L172 HydrophobicContact CD2-CD2 4.49Å; F165-L172 HydrophobicContact CG-CD2 3.95Å
166	S	86	Confident	93.6	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.098	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-19.3	171	75.1	0	0	0	0	112.8	L162 H163 F164 K193	L162-S166 VanDerWaalsContact O-CB 3.28Å; L162-S166 WeakPolarHBondContact O-CB 3.33Å; L162-S166 PolarHBondContact O-N 3.39Å; H163-S166 WeakPolarHBondContact O-CB 3.36Å; H163-S166 PolarHBondContact O-N 2.77Å; H163-S166 PolarHBondContact O-OG 3.37Å; F164-S166 VanDerWaalsContact C-N 3.33Å; S166-K193 PolarHBondContact OG-NZ 2.89Å
167	E	83.2	Confident	93.6	Very high	142 Å²	142	38.3 Å²	38.3	66%	0.664	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.9	171.2	-58.1	-57.5	137.4	0	0	113.1	F164 F165 K193	F164-E167 PolarHBondContact O-N 3.12Å; F165-E167 PolarHBondContact O-N 3.12Å; E167-K193 IonicContact OE1-NZ 2.75Å; E167-K193 PolarHBondContact OE1-NZ 2.94Å
168	N	89.1	Confident	93.6	Very high	51 Å²	51	38.2 Å²	38.2	27%	0.273	20%	0.196	S	C	.	.			trans	-136.3	64.8	-178.8	-166.2	-11.1	0	0	0	111.5	F165 Q170 L171	F165-N168 CarbonylContact O-C 3.55Å; F165-N168 PolarHBondContact O-N 3.38Å; N168-Q170 PolarHBondContact O-N 3.13Å; N168-Q170 VanDerWaalsContact O-N 3.15Å; N168-L171 HydrophobicContact CB-CD1 4.27Å; N168-L171 WeakPolarHBondContact ND2-CD1 3.17Å; N168-L171 PolarHBondContact O-N 3.25Å
169	L	92.4	Very high	93.7	Very high	36 Å²	36	38 Å²	38	19%	0.188	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-26.3	-175.9	-62.1	177.6	0	0	0	113.5	F165 L171 L172 Q173 L190 V194	F165-L169 PolarHBondContact O-N 3.38Å; L169-L171 PolarHBondContact O-N 2.82Å; L169-L172 HydrophobicContact CD2-CD1 4.4Å; L169-L172 PolarHBondContact O-N 2.49Å; L169-Q173 WeakPolarHBondContact O-CG 3.33Å; L169-Q173 PolarHBondContact O-N 2.86Å; L169-L190 HydrophobicContact CD2-CD1 4.22Å; L169-V194 HydrophobicContact CD1-CB 4.46Å; L169-V194 HydrophobicContact CD1-CG2 3.86Å; L169-V194 HydrophobicContact CD2-CG2 3.76Å; L169-V194 HydrophobicContact CG-CG2 4.43Å
170	Q	93.5	Very high	94	Very high	149 Å²	149	37 Å²	37	70%	0.696	19%	0.186	S	C	*	.	H	α-helix	trans	-62	-32.4	179.7	-65.4	176.9	14.1	0	0	112.1	R149 N168 L172	R149-Q170 PolarHBondContact NH1-O 3.11Å; N168-Q170 PolarHBondContact O-N 3.13Å; N168-Q170 VanDerWaalsContact O-N 3.15Å; Q170-L172 VanDerWaalsContact C-N 3.27Å; Q170-L172 PolarHBondContact O-N 3.41Å
171	L	94.5	Very high	94.2	Very high	20 Å²	20	36.2 Å²	36.2	11%	0.105	18%	0.182	C	C	.	.	H	α-helix	trans	-67.6	-28.4	175.7	-70.7	178.1	0	0	0	113	T142 L145 E146 R149 F165 N168 L169	T142-L171 HydrophobicContact CG2-CD1 3.59Å; L145-L171 HydrophobicContact CD2-CB 4.17Å; E146-L171 HydrophobicContact CG-CD1 4.27Å; E146-L171 HydrophobicContact CG-CD2 3.46Å; E146-L171 VanDerWaalsContact CG-CD2 3.46Å; R149-L171 VanDerWaalsContact NH1-C 3.28Å; R149-L171 PolarHBondContact NH1-O 3.43Å; F165-L171 HydrophobicContact CD1-CD1 4.38Å; F165-L171 HydrophobicContact CE1-CD1 4.34Å; N168-L171 HydrophobicContact CB-CD1 4.27Å; N168-L171 WeakPolarHBondContact ND2-CD1 3.17Å; N168-L171 PolarHBondContact O-N 3.25Å; L169-L171 PolarHBondContact O-N 2.82Å
172	L	96.1	Very high	94.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-84.2	-42.4	178.4	-51.2	-179.4	0	0	0	111.4	L145 I157 F165 L169 Q170 G174 Y175 L178 L180 L215 V218	L145-L172 HydrophobicContact CD2-CD2 3.86Å; I157-L172 HydrophobicContact CD1-CD2 3.78Å; F165-L172 HydrophobicContact CB-CD1 3.79Å; F165-L172 HydrophobicContact CB-CD2 3.69Å; F165-L172 HydrophobicContact CB-CG 3.95Å; F165-L172 HydrophobicContact CD1-CD2 4.4Å; F165-L172 HydrophobicContact CD2-CD2 4.49Å; F165-L172 HydrophobicContact CG-CD2 3.95Å; L169-L172 HydrophobicContact CD2-CD1 4.4Å; L169-L172 PolarHBondContact O-N 2.49Å; Q170-L172 VanDerWaalsContact C-N 3.27Å; Q170-L172 PolarHBondContact O-N 3.41Å; L172-G174 PolarHBondContact O-N 2.68Å; L172-Y175 VanDerWaalsContact O-CB 3.32Å; L172-Y175 WeakPolarHBondContact O-CB 3.31Å; L172-Y175 PolarHBondContact O-N 2.87Å; L172-L178 HydrophobicContact CB-CD2 4.15Å; L172-L178 HydrophobicContact CD2-CD2 3.61Å; L172-L178 HydrophobicContact CG-CD2 4.47Å; L172-L180 HydrophobicContact CD1-CD1 4.24Å; L172-L215 HydrophobicContact CB-CD2 4.49Å; L172-V218 WeakPolarHBondContact O-CG2 3.38Å
173	Q	95.8	Very high	94.3	Very high	78 Å²	78	38.1 Å²	38.1	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	126.1	-173.9	-80.2	178.5	-22.7	0	0	112.8	R149 L169 Y175 L215	R149-Q173 VanDerWaalsContact CZ-O 3.29Å; R149-Q173 PolarHBondContact NH1-O 2.95Å; R149-Q173 PolarHBondContact NH2-O 3.47Å; L169-Q173 WeakPolarHBondContact O-CG 3.33Å; L169-Q173 PolarHBondContact O-N 2.86Å; Q173-Y175 PolarHBondContact O-N 3.26Å; Q173-L215 WeakPolarHBondContact CA-O 3.46Å; Q173-L215 HydrophobicContact CG-CD2 4.29Å
174	G	96.1	Very high	94.3	Very high	24 Å²	24	40.9 Å²	40.9	25%	0.247	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	1.6	176.8	0	0	0	0	0	113.9	L172 T176 L215 D216	L172-G174 PolarHBondContact O-N 2.68Å; G174-T176 VanDerWaalsContact C-N 3.31Å; G174-T176 PolarHBondContact O-N 3.16Å; G174-L215 PolarHBondContact N-O 2.92Å; G174-L215 VanDerWaalsContact N-O 3.08Å; G174-D216 WeakPolarHBondContact CA-O 3.33Å; G174-D216 VanDerWaalsContact CA-OD2 3.3Å; G174-D216 WeakPolarHBondContact CA-OD2 3.23Å
175	Y	97.3	Very high	94.4	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	23%	0.229	C	C	.	.			trans	-82.1	75.8	177.5	-163.8	-177.2	0	0	0	110.9	L145 A148 R149 L153 V155 L172 Q173 R177 L178	L145-Y175 HydrophobicContact CD1-CD1 4.35Å; L145-Y175 HydrophobicContact CD1-CE1 3.97Å; A148-Y175 PolarHBondContact O-OH 3.11Å; R149-Y175 VanDerWaalsContact CA-CZ 3.45Å; R149-Y175 VanDerWaalsContact CA-OH 3.28Å; R149-Y175 WeakPolarHBondContact CA-OH 3.07Å; R149-Y175 HydrophobicContact CB-CD1 4.03Å; R149-Y175 HydrophobicContact CB-CE1 3.71Å; R149-Y175 HydrophobicContact CB-CE2 4.44Å; R149-Y175 HydrophobicContact CG-CD1 4.07Å; R149-Y175 HydrophobicContact CG-CD2 4.26Å; R149-Y175 HydrophobicContact CG-CE1 4.17Å; R149-Y175 HydrophobicContact CG-CE2 4.33Å; R149-Y175 HydrophobicContact CG-CG 4.12Å; R149-Y175 PolarHBondContact N-OH 3.45Å; L153-Y175 PolarHBondContact N-OH 2.88Å; L153-Y175 PolarHBondContact O-OH 3.24Å; V155-Y175 HydrophobicContact CG2-CE1 4.24Å; L172-Y175 VanDerWaalsContact O-CB 3.32Å; L172-Y175 WeakPolarHBondContact O-CB 3.31Å; L172-Y175 PolarHBondContact O-N 2.87Å; Q173-Y175 PolarHBondContact O-N 3.26Å; Y175-R177 HydrophobicContact CD2-CB 4.41Å; Y175-R177 HydrophobicContact CE2-CB 4.05Å; Y175-R177 PolarHBondContact O-N 3.07Å; Y175-L178 HydrophobicContact CD1-CB 4.04Å; Y175-L178 HydrophobicContact CD1-CD2 4.29Å; Y175-L178 HydrophobicContact CG-CB 3.99Å; Y175-L178 WeakPolarHBondContact O-CB 3.46Å; Y175-L178 PolarHBondContact O-N 3.06Å
176	T	96.4	Very high	94.6	Very high	69 Å²	69	46.1 Å²	46.1	42%	0.423	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.4	-172.6	56.9	0	0	0	0	115.3	G174 L178	G174-T176 VanDerWaalsContact C-N 3.31Å; G174-T176 PolarHBondContact O-N 3.16Å; T176-L178 VanDerWaalsContact C-N 3.29Å
177	R	97.5	Very high	95	Very high	63 Å²	63	45.4 Å²	45.4	24%	0.238	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	8.9	173.3	-52	-172.7	70.7	179.9	7.5	114.1	Q152 P154 V155 Y175 Y266	Q152-R177 WeakPolarHBondContact O-CD 3.46Å; Q152-R177 PolarHBondContact O-NE 3.41Å; Q152-R177 PolarHBondContact O-NH1 3.35Å; P154-R177 WeakPolarHBondContact CA-O 3.39Å; V155-R177 PolarHBondContact N-O 3.38Å; V155-R177 VanDerWaalsContact N-O 3.16Å; Y175-R177 HydrophobicContact CD2-CB 4.41Å; Y175-R177 HydrophobicContact CE2-CB 4.05Å; Y175-R177 PolarHBondContact O-N 3.07Å; R177-Y266 WeakPolarHBondContact CA-OH 3.36Å; R177-Y266 HydrophobicContact CB-CE2 4.43Å; R177-Y266 WeakPolarHBondContact CB-OH 3.49Å; R177-Y266 HydrophobicContact CG-CE1 4.31Å; R177-Y266 WeakPolarHBondContact CG-OH 3Å
178	L	98.2	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.2	178.3	178.3	61.6	0	0	0	111.5	V155 I157 L172 Y175 T176 L180 V218 T219	V155-L178 HydrophobicContact CB-CD1 3.9Å; V155-L178 HydrophobicContact CG1-CD1 4.12Å; V155-L178 CarbonylContact O-C 3.13Å; V155-L178 WeakPolarHBondContact O-CA 3.41Å; I157-L178 HydrophobicContact CB-CD1 4.36Å; I157-L178 HydrophobicContact CD1-CD1 3.45Å; I157-L178 VanDerWaalsContact CD1-CD1 3.45Å; I157-L178 HydrophobicContact CD1-CD2 4.2Å; I157-L178 HydrophobicContact CD1-CG 4.42Å; I157-L178 HydrophobicContact CG1-CD1 3.6Å; L172-L178 HydrophobicContact CB-CD2 4.15Å; L172-L178 HydrophobicContact CD2-CD2 3.61Å; L172-L178 HydrophobicContact CG-CD2 4.47Å; Y175-L178 HydrophobicContact CD1-CB 4.04Å; Y175-L178 HydrophobicContact CD1-CD2 4.29Å; Y175-L178 HydrophobicContact CG-CB 3.99Å; Y175-L178 WeakPolarHBondContact O-CB 3.46Å; Y175-L178 PolarHBondContact O-N 3.06Å; T176-L178 VanDerWaalsContact C-N 3.29Å; L178-L180 HydrophobicContact CD1-CD2 4.07Å; L178-L180 HydrophobicContact CD2-CD2 3.9Å; L178-L180 HydrophobicContact CG-CD2 3.9Å; L178-V218 HydrophobicContact CB-CG1 4.18Å; L178-V218 HydrophobicContact CD2-CG1 3.98Å; L178-V218 HydrophobicContact CD2-CG2 4.4Å; L178-V218 HydrophobicContact CG-CG1 3.98Å; L178-T219 PolarHBondContact O-N 3.14Å
179	I	98.7	Very high	95.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.3	168.1	-59.8	178.9	0	0	0	109.2	V155 V156 I157 T181 T219 V221 V258 L262 P285	V155-I179 PolarHBondContact O-N 3.08Å; V156-I179 CarbonylContact C-O 3.45Å; V156-I179 WeakPolarHBondContact CA-O 3.5Å; V156-I179 HydrophobicContact CG2-CB 4.47Å; I157-I179 PolarHBondContact N-O 2.86Å; I179-T181 HydrophobicContact CG2-CG2 4.04Å; I179-T219 CarbonylContact C-O 3.16Å; I179-T219 WeakPolarHBondContact CA-O 2.98Å; I179-T219 HydrophobicContact CG1-CG2 4.19Å; I179-T219 HydrophobicContact CG2-CG2 4.49Å; I179-V221 HydrophobicContact CG2-CG2 3.58Å; I179-V258 HydrophobicContact CD1-CG1 3.56Å; I179-V258 HydrophobicContact CG2-CG1 4.37Å; I179-L262 HydrophobicContact CD1-CD1 3.84Å; I179-L262 HydrophobicContact CD1-CD2 4.03Å; I179-L262 HydrophobicContact CD1-CG 4.49Å; I179-L262 HydrophobicContact CG1-CD2 4.47Å; I179-P285 HydrophobicContact CD1-CB 3.92Å; I179-P285 HydrophobicContact CG1-CB 3.9Å
180	L	98.6	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.4	169.4	-53.8	-173.4	0	0	0	109.2	I157 L162 L172 L178 P182 L190 L215 V218 T219 I220 V221	I157-L180 HydrophobicContact CB-CD2 3.74Å; I157-L180 HydrophobicContact CD1-CD2 4.09Å; I157-L180 HydrophobicContact CG1-CD2 4.33Å; I157-L180 HydrophobicContact CG2-CD2 4.31Å; L162-L180 HydrophobicContact CD2-CB 3.8Å; L162-L180 HydrophobicContact CD2-CD1 4.39Å; L162-L180 HydrophobicContact CD2-CD2 3.88Å; L162-L180 HydrophobicContact CD2-CG 4.23Å; L172-L180 HydrophobicContact CD1-CD1 4.24Å; L178-L180 HydrophobicContact CD1-CD2 4.07Å; L178-L180 HydrophobicContact CD2-CD2 3.9Å; L178-L180 HydrophobicContact CG-CD2 3.9Å; L180-P182 WeakPolarHBondContact O-CD 3.24Å; L180-L190 HydrophobicContact CD1-CD2 3.77Å; L180-L215 HydrophobicContact CD1-CD1 3.9Å; L180-V218 HydrophobicContact CD1-CG1 4.12Å; L180-V218 HydrophobicContact CG-CG1 3.85Å; L180-T219 PolarHBondContact N-O 3.24Å; L180-I220 HydrophobicContact CB-CD1 3.8Å; L180-I220 HydrophobicContact CD1-CD1 3.68Å; L180-I220 HydrophobicContact CG-CD1 3.95Å; L180-V221 PolarHBondContact O-N 3.35Å
181	T	98	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.			trans	-115	54.9	-177	55.6	0	0	0	0	113.7	V156 I157 D158 I179 V221 K223	V156-T181 HydrophobicContact CG1-CG2 3.87Å; I157-T181 PolarHBondContact O-N 3.19Å; I157-T181 PolarHBondContact O-OG1 3.4Å; D158-T181 VanDerWaalsContact CB-OG1 3.23Å; D158-T181 WeakPolarHBondContact CB-OG1 3.17Å; D158-T181 VanDerWaalsContact OD1-O 3.08Å; D158-T181 PolarHBondContact OD1-OG1 2.83Å; I179-T181 HydrophobicContact CG2-CG2 4.04Å; T181-V221 CarbonylContact C-O 3.43Å; T181-V221 WeakPolarHBondContact CA-O 3.33Å; T181-V221 HydrophobicContact CG2-CB 4.12Å; T181-V221 HydrophobicContact CG2-CG2 4.44Å; T181-K223 WeakPolarHBondContact O-CD 3.17Å; T181-K223 WeakPolarHBondContact O-CE 3.46Å; T181-K223 PolarHBondContact O-NZ 2.98Å
182	P	97.3	Very high	96.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.			trans	-68.6	140.9	-176.9	30	-36.6	0	0	0	113	L162 L180 E186 F187 I220 V221 R222 K223	L162-P182 HydrophobicContact CD1-CB 3.94Å; L180-P182 WeakPolarHBondContact O-CD 3.24Å; P182-E186 WeakPolarHBondContact CA-OE2 3.34Å; P182-E186 HydrophobicContact CB-CB 3.76Å; P182-F187 HydrophobicContact CB-CB 3.97Å; P182-F187 HydrophobicContact CG-CB 4.13Å; P182-F187 HydrophobicContact CG-CD2 3.86Å; P182-I220 HydrophobicContact CG-CG2 3.97Å; P182-V221 WeakPolarHBondContact CD-O 3.49Å; P182-R222 WeakPolarHBondContact O-CA 3.23Å; P182-K223 PolarHBondContact O-N 3.26Å
183	N	94.8	Very high	96	Very high	53 Å²	53	42.5 Å²	42.5	28%	0.283	22%	0.219	S	C	.	.			trans	-74.5	178.6	159.7	71.3	46.5	0	0	0	111.3	T185 E186 F187	N183-T185 VanDerWaalsContact C-N 3.33Å; N183-T185 PolarHBondContact O-N 2.9Å; N183-T185 WeakPolarHBondContact OD1-CA 3.4Å; N183-T185 WeakPolarHBondContact OD1-CB 3.33Å; N183-T185 PolarHBondContact OD1-N 2.93Å; N183-E186 VanDerWaalsContact CG-CD 3.49Å; N183-E186 VanDerWaalsContact CG-OE2 3.28Å; N183-E186 PolarHBondContact N-OE2 3.45Å; N183-E186 PolarHBondContact ND2-OE1 3.48Å; N183-E186 VanDerWaalsContact ND2-OE1 3.15Å; N183-E186 PolarHBondContact ND2-OE2 3.22Å; N183-E186 VanDerWaalsContact ND2-OE2 3.11Å; N183-E186 PolarHBondContact O-N 3.49Å; N183-E186 PolarHBondContact OD1-N 3.31Å; N183-F187 WeakPolarHBondContact O-CB 3.26Å; N183-F187 PolarHBondContact O-N 3.47Å
184	E	93.5	Very high	95.9	Very high	132 Å²	132	40.1 Å²	40.1	62%	0.617	21%	0.21	S	C	*	.	H	α-helix	trans	-55	-43.3	-178.9	-172	174.7	-178.5	0	0	113.9	G188	E184-G188 PolarHBondContact O-N 3.29Å; E184-G188 VanDerWaalsContact O-N 3.13Å
185	T	93.4	Very high	95.8	Very high	98 Å²	98	40.9 Å²	40.9	60%	0.601	21%	0.208	S	C	*	.	H	α-helix	trans	-69.7	-48	178.4	-54	0	0	0	0	111.7	N183 F187 G188 Q189	N183-T185 VanDerWaalsContact C-N 3.33Å; N183-T185 PolarHBondContact O-N 2.9Å; N183-T185 WeakPolarHBondContact OD1-CA 3.4Å; N183-T185 WeakPolarHBondContact OD1-CB 3.33Å; N183-T185 PolarHBondContact OD1-N 2.93Å; T185-F187 VanDerWaalsContact C-N 3.27Å; T185-F187 PolarHBondContact O-N 2.97Å; T185-G188 PolarHBondContact O-N 3.48Å; T185-Q189 WeakPolarHBondContact O-CG 3.39Å; T185-Q189 PolarHBondContact O-N 3.06Å; T185-Q189 VanDerWaalsContact O-N 3.12Å
186	E	95.5	Very high	95.5	Very high	36 Å²	36	43.9 Å²	43.9	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-36.8	177.8	-69.5	162.3	174.2	0	0	111.4	L162 P182 N183 Q189 L190 K223	L162-E186 HydrophobicContact CD1-CB 4.32Å; P182-E186 WeakPolarHBondContact CA-OE2 3.34Å; P182-E186 HydrophobicContact CB-CB 3.76Å; N183-E186 VanDerWaalsContact CG-CD 3.49Å; N183-E186 VanDerWaalsContact CG-OE2 3.28Å; N183-E186 PolarHBondContact N-OE2 3.45Å; N183-E186 PolarHBondContact ND2-OE1 3.48Å; N183-E186 VanDerWaalsContact ND2-OE1 3.15Å; N183-E186 PolarHBondContact ND2-OE2 3.22Å; N183-E186 VanDerWaalsContact ND2-OE2 3.11Å; N183-E186 PolarHBondContact O-N 3.49Å; N183-E186 PolarHBondContact OD1-N 3.31Å; E186-Q189 PolarHBondContact O-N 3.28Å; E186-L190 WeakPolarHBondContact O-CB 3.17Å; E186-L190 PolarHBondContact O-N 3.49Å; E186-K223 IonicContact OE2-NZ 3.69Å
187	F	95.9	Very high	95.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.5	-46.6	177.5	-176.1	-84.5	0	0	0	110.3	P182 N183 T185 Q189 L190 Y191 L199 T208 L211 I220 R222	P182-F187 HydrophobicContact CB-CB 3.97Å; P182-F187 HydrophobicContact CG-CB 4.13Å; P182-F187 HydrophobicContact CG-CD2 3.86Å; N183-F187 WeakPolarHBondContact O-CB 3.26Å; N183-F187 PolarHBondContact O-N 3.47Å; T185-F187 VanDerWaalsContact C-N 3.27Å; T185-F187 PolarHBondContact O-N 2.97Å; F187-Q189 VanDerWaalsContact C-N 3.32Å; F187-Q189 PolarHBondContact O-N 2.91Å; F187-L190 PolarHBondContact O-N 2.99Å; F187-Y191 AromaticContact CE1-CD2 3.84Å; F187-Y191 HydrophobicContact CE1-CD2 3.84Å; F187-Y191 HydrophobicContact CE1-CG 4.4Å; F187-Y191 HydrophobicContact CZ-CD2 4.14Å; F187-Y191 WeakPolarHBondContact O-CB 3.31Å; F187-Y191 PolarHBondContact O-N 2.66Å; F187-L199 HydrophobicContact CD1-CD1 3.88Å; F187-L199 HydrophobicContact CE1-CD1 3.47Å; F187-L199 VanDerWaalsContact CE1-CD1 3.47Å; F187-T208 HydrophobicContact CE2-CG2 4.31Å; F187-L211 HydrophobicContact CD2-CD2 3.96Å; F187-L211 HydrophobicContact CE2-CB 4.43Å; F187-L211 HydrophobicContact CE2-CD2 3.52Å; F187-L211 HydrophobicContact CZ-CB 4.23Å; F187-L211 HydrophobicContact CZ-CD2 3.84Å; F187-I220 HydrophobicContact CD2-CG2 4.17Å; F187-I220 HydrophobicContact CE2-CG2 3.96Å; F187-R222 HydrophobicContact CB-CG 4.37Å; F187-R222 HydrophobicContact CD2-CB 4.01Å; F187-R222 HydrophobicContact CD2-CG 3.82Å; F187-R222 HydrophobicContact CE2-CB 4.26Å; F187-R222 HydrophobicContact CE2-CG 4.3Å; F187-R222 HydrophobicContact CG-CG 4.07Å
188	G	95.2	Very high	94.9	Very high	20 Å²	20	48.3 Å²	48.3	21%	0.206	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-44.7	176.4	0	0	0	0	0	112.4	E184 T185 Y191 E192	E184-G188 PolarHBondContact O-N 3.29Å; E184-G188 VanDerWaalsContact O-N 3.13Å; T185-G188 PolarHBondContact O-N 3.48Å; G188-Y191 PolarHBondContact O-N 3.12Å; G188-E192 WeakPolarHBondContact O-CB 3.46Å; G188-E192 PolarHBondContact O-N 3.42Å
189	Q	94.7	Very high	94.4	Very high	104 Å²	104	51 Å²	51	49%	0.486	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-45.3	176.9	-69	173.9	-4.7	0	0	112.4	T185 E186 F187 K193	T185-Q189 WeakPolarHBondContact O-CG 3.39Å; T185-Q189 PolarHBondContact O-N 3.06Å; T185-Q189 VanDerWaalsContact O-N 3.12Å; E186-Q189 PolarHBondContact O-N 3.28Å; F187-Q189 VanDerWaalsContact C-N 3.32Å; F187-Q189 PolarHBondContact O-N 2.91Å; Q189-K193 WeakPolarHBondContact O-CG 3.38Å; Q189-K193 PolarHBondContact O-N 3.25Å; Q189-K193 VanDerWaalsContact O-N 3.1Å
190	L	95.1	Very high	93.6	Very high	6 Å²	6	58.6 Å²	58.6	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-42.2	178.1	-178	61.6	0	0	0	111.2	L169 L180 E186 F187 K193 V194 L211	L169-L190 HydrophobicContact CD2-CD1 4.22Å; L180-L190 HydrophobicContact CD1-CD2 3.77Å; E186-L190 WeakPolarHBondContact O-CB 3.17Å; E186-L190 PolarHBondContact O-N 3.49Å; F187-L190 PolarHBondContact O-N 2.99Å; L190-K193 PolarHBondContact O-N 3.47Å; L190-V194 HydrophobicContact CD1-CG2 3.96Å; L190-V194 HydrophobicContact CG-CG2 4.35Å; L190-V194 WeakPolarHBondContact O-CB 3.43Å; L190-V194 VanDerWaalsContact O-CG2 3.26Å; L190-V194 WeakPolarHBondContact O-CG2 3.21Å; L190-V194 PolarHBondContact O-N 3.34Å; L190-L211 HydrophobicContact CD2-CD2 4.04Å; L190-L211 HydrophobicContact CG-CD2 4.19Å
191	Y	95.1	Very high	92.3	Very high	25 Å²	25	68.8 Å²	68.8	10%	0.098	36%	0.36	C	S	.	.	H	α-helix	trans	-59.7	-49.1	177.7	-170.5	-81.3	0	0	0	111	F187 G188 K193 V194 I195 K197 L199 T207 H210 L211	F187-Y191 AromaticContact CE1-CD2 3.84Å; F187-Y191 HydrophobicContact CE1-CD2 3.84Å; F187-Y191 HydrophobicContact CE1-CG 4.4Å; F187-Y191 HydrophobicContact CZ-CD2 4.14Å; F187-Y191 WeakPolarHBondContact O-CB 3.31Å; F187-Y191 PolarHBondContact O-N 2.66Å; G188-Y191 PolarHBondContact O-N 3.12Å; Y191-K193 VanDerWaalsContact C-N 3.35Å; Y191-K193 PolarHBondContact O-N 3.45Å; Y191-V194 PolarHBondContact O-N 2.8Å; Y191-I195 HydrophobicContact CD1-CB 4.39Å; Y191-I195 HydrophobicContact CD1-CD1 3.95Å; Y191-I195 HydrophobicContact CD2-CD1 3.54Å; Y191-I195 HydrophobicContact CE1-CB 4.19Å; Y191-I195 HydrophobicContact CE1-CD1 3.65Å; Y191-I195 HydrophobicContact CE1-CG2 4.16Å; Y191-I195 HydrophobicContact CE2-CD1 3.2Å; Y191-I195 HydrophobicContact CG-CD1 3.89Å; Y191-I195 VanDerWaalsContact O-CB 3.32Å; Y191-I195 WeakPolarHBondContact O-CB 3.39Å; Y191-I195 PolarHBondContact O-N 3.01Å; Y191-K197 WeakPolarHBondContact CD1-O 3.42Å; Y191-L199 HydrophobicContact CD1-CB 4.42Å; Y191-L199 HydrophobicContact CD1-CD1 4.14Å; Y191-L199 HydrophobicContact CD2-CD1 3.88Å; Y191-L199 HydrophobicContact CE1-CD1 4.45Å; Y191-L199 HydrophobicContact CE2-CD1 4.21Å; Y191-L199 HydrophobicContact CG-CD1 3.86Å; Y191-T207 HydrophobicContact CE2-CG2 4.12Å; Y191-H210 PolarHBondContact OH-ND1 3.05Å; Y191-L211 HydrophobicContact CD2-CB 4.19Å
192	E	94.6	Very high	91.3	Very high	99 Å²	99	71.3 Å²	71.3	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-60.6	-43	177.9	-175.9	173.2	-176.8	0	0	112.1	G188 G196 K197	G188-E192 WeakPolarHBondContact O-CB 3.46Å; G188-E192 PolarHBondContact O-N 3.42Å; E192-G196 WeakPolarHBondContact O-CA 3.16Å; E192-G196 PolarHBondContact O-N 2.8Å; E192-K197 WeakPolarHBondContact CA-O 3.4Å
193	K	94.2	Very high	91	Very high	85 Å²	85	75.7 Å²	75.7	37%	0.37	40%	0.401	S	S	.	.	H	α-helix	trans	-66.9	-38.2	178.3	-75.4	-178.6	174.6	-166	0	113.6	S166 E167 Q189 L190 Y191	S166-K193 PolarHBondContact OG-NZ 2.89Å; E167-K193 IonicContact OE1-NZ 2.75Å; E167-K193 PolarHBondContact OE1-NZ 2.94Å; Q189-K193 WeakPolarHBondContact O-CG 3.38Å; Q189-K193 PolarHBondContact O-N 3.25Å; Q189-K193 VanDerWaalsContact O-N 3.1Å; L190-K193 PolarHBondContact O-N 3.47Å; Y191-K193 VanDerWaalsContact C-N 3.35Å; Y191-K193 PolarHBondContact O-N 3.45Å
194	V	94.5	Very high	91	Very high	28 Å²	28	75.9 Å²	75.9	17%	0.17	40%	0.404	C	S	.	.	H	α-helix	trans	-79.7	-39.1	-178.2	174.4	0	0	0	0	111.9	L169 L190 Y191 L211 K214 L215	L169-V194 HydrophobicContact CD1-CB 4.46Å; L169-V194 HydrophobicContact CD1-CG2 3.86Å; L169-V194 HydrophobicContact CD2-CG2 3.76Å; L169-V194 HydrophobicContact CG-CG2 4.43Å; L190-V194 HydrophobicContact CD1-CG2 3.96Å; L190-V194 HydrophobicContact CG-CG2 4.35Å; L190-V194 WeakPolarHBondContact O-CB 3.43Å; L190-V194 VanDerWaalsContact O-CG2 3.26Å; L190-V194 WeakPolarHBondContact O-CG2 3.21Å; L190-V194 PolarHBondContact O-N 3.34Å; Y191-V194 PolarHBondContact O-N 2.8Å; V194-L211 HydrophobicContact CB-CD1 3.8Å; V194-L211 HydrophobicContact CG1-CD1 3.9Å; V194-L211 HydrophobicContact CG2-CD1 3.99Å; V194-K214 HydrophobicContact CG1-CB 3.68Å; V194-L215 HydrophobicContact CG1-CD2 4.17Å; V194-L215 HydrophobicContact CG1-CG 4.2Å; V194-L215 HydrophobicContact CG2-CD1 4.48Å; V194-L215 HydrophobicContact CG2-CD2 3.75Å; V194-L215 HydrophobicContact CG2-CG 4.2Å
195	I	93	Very high	91	Very high	40 Å²	40	72.4 Å²	72.4	21%	0.205	39%	0.388	C	S	.	.	H	α-helix	trans	-102.3	-19.1	-170	-65.3	166.8	0	0	0	112	Y191 K197 L211 K214	Y191-I195 HydrophobicContact CD1-CB 4.39Å; Y191-I195 HydrophobicContact CD1-CD1 3.95Å; Y191-I195 HydrophobicContact CD2-CD1 3.54Å; Y191-I195 HydrophobicContact CE1-CB 4.19Å; Y191-I195 HydrophobicContact CE1-CD1 3.65Å; Y191-I195 HydrophobicContact CE1-CG2 4.16Å; Y191-I195 HydrophobicContact CE2-CD1 3.2Å; Y191-I195 HydrophobicContact CG-CD1 3.89Å; Y191-I195 VanDerWaalsContact O-CB 3.32Å; Y191-I195 WeakPolarHBondContact O-CB 3.39Å; Y191-I195 PolarHBondContact O-N 3.01Å; I195-K197 VanDerWaalsContact C-N 3.28Å; I195-K197 HydrophobicContact CG2-CB 4.43Å; I195-L211 HydrophobicContact CD1-CD1 4.4Å; I195-K214 HydrophobicContact CD1-CG 4.35Å; I195-K214 HydrophobicContact CG1-CB 4.38Å; I195-K214 HydrophobicContact CG1-CG 4.04Å
196	G	92.1	Very high	91.1	Very high	64 Å²	64	74 Å²	74	66%	0.66	39%	0.389	S	S	*	.	S	Bend	trans	75.4	15.9	-178.4	0	0	0	0	0	113.8	E192	E192-G196 WeakPolarHBondContact O-CA 3.16Å; E192-G196 PolarHBondContact O-N 2.8Å
197	K	90.5	Very high	91.2	Very high	152 Å²	152	72.6 Å²	72.6	66%	0.661	38%	0.382	S	S	*	.	S	Bend	trans	-138.7	138.5	177.6	-65.1	-175.2	178.8	-176.3	0	110	Y191 E192 I195	Y191-K197 WeakPolarHBondContact CD1-O 3.42Å; E192-K197 WeakPolarHBondContact CA-O 3.4Å; I195-K197 VanDerWaalsContact C-N 3.28Å; I195-K197 HydrophobicContact CG2-CB 4.43Å
198	S	89.6	Confident	91.3	Very high	72 Å²	72	72.6 Å²	72.6	50%	0.503	38%	0.382	S	S	.	.			trans	-63.6	151.6	173.2	-47.8	0	0	0	0	110.8	E200	S198-E200 PolarHBondContact O-N 2.96Å
199	L	87.2	Confident	91.4	Very high	58 Å²	58	73.7 Å²	73.7	30%	0.304	38%	0.383	S	S	.	.			trans	-70.5	109.4	177.9	-165.5	112	0	0	0	110.1	F187 Y191 T207	F187-L199 HydrophobicContact CD1-CD1 3.88Å; F187-L199 HydrophobicContact CE1-CD1 3.47Å; F187-L199 VanDerWaalsContact CE1-CD1 3.47Å; Y191-L199 HydrophobicContact CD1-CB 4.42Å; Y191-L199 HydrophobicContact CD1-CD1 4.14Å; Y191-L199 HydrophobicContact CD2-CD1 3.88Å; Y191-L199 HydrophobicContact CE1-CD1 4.45Å; Y191-L199 HydrophobicContact CE2-CD1 4.21Å; Y191-L199 HydrophobicContact CG-CD1 3.86Å; L199-T207 HydrophobicContact CD1-CG2 4.01Å
200	E	82.9	Confident	91.5	Very high	158 Å²	158	71.3 Å²	71.3	74%	0.738	37%	0.372	S	S	*	.			trans	-77.9	167.6	171	-65.7	-178.9	-178.2	0	0	110.7	S198 S202	S198-E200 PolarHBondContact O-N 2.96Å; E200-S202 VanDerWaalsContact C-N 3.3Å; E200-S202 WeakPolarHBondContact O-CB 3.38Å; E200-S202 PolarHBondContact O-N 3.19Å; E200-S202 PolarHBondContact O-OG 3.44Å
201	Q	70.9	Confident	91.6	Very high	215 Å²	215	71 Å²	71	100%	1.005	37%	0.371	S	S	*	.	S	Bend	trans	-60.1	93.9	172.2	-75.5	-176.1	-8.5	0	0	109.4
202	S	76.8	Confident	91.7	Very high	52 Å²	52	69.9 Å²	69.9	36%	0.364	37%	0.366	S	S	.	.			trans	-136.5	160.5	-170.5	47.6	0	0	0	0	109.6	E200 V204 T207	E200-S202 VanDerWaalsContact C-N 3.3Å; E200-S202 WeakPolarHBondContact O-CB 3.38Å; E200-S202 PolarHBondContact O-N 3.19Å; E200-S202 PolarHBondContact O-OG 3.44Å; S202-V204 PolarHBondContact O-N 2.98Å; S202-T207 WeakPolarHBondContact OG-CG2 3.3Å
203	D	91.7	Very high	91.9	Very high	93 Å²	93	69.2 Å²	69.2	50%	0.497	36%	0.363	S	S	.	.			trans	-60.6	130.4	179.8	-172.1	-63.3	0	0	0	110.6	E205 E206 T207	D203-E205 VanDerWaalsContact C-N 3.32Å; D203-E205 PolarHBondContact O-N 3.29Å; D203-E205 WeakPolarHBondContact OD1-CA 3.48Å; D203-E205 VanDerWaalsContact OD1-CB 3.26Å; D203-E205 WeakPolarHBondContact OD1-CB 3.48Å; D203-E205 PolarHBondContact OD1-N 3.43Å; D203-E206 HydrophobicContact CB-CB 3.87Å; D203-E206 PolarHBondContact O-N 3.49Å; D203-E206 PolarHBondContact OD1-N 2.67Å; D203-T207 PolarHBondContact O-N 3.04Å; D203-T207 PolarHBondContact O-OG1 3.28Å
204	V	93.6	Very high	92	Very high	56 Å²	56	70.5 Å²	70.5	34%	0.339	37%	0.368	S	S	.	.	H	α-helix	trans	-66.6	-35.4	-176.1	179.6	0	0	0	0	111	S202 T207 T208 V228	S202-V204 PolarHBondContact O-N 2.98Å; V204-T207 PolarHBondContact O-OG1 3.39Å; V204-T208 VanDerWaalsContact O-CB 3.29Å; V204-T208 WeakPolarHBondContact O-CB 3.23Å; V204-T208 PolarHBondContact O-N 3.45Å; V204-T208 PolarHBondContact O-OG1 3.25Å; V204-V228 HydrophobicContact CB-CG2 4.49Å; V204-V228 HydrophobicContact CG1-CB 4.22Å; V204-V228 HydrophobicContact CG1-CG2 3.53Å
205	E	95.3	Very high	92.1	Very high	60 Å²	60	69.1 Å²	69.1	28%	0.28	36%	0.36	S	S	.	.	H	α-helix	trans	-68	-49.4	174.9	-64.9	-172.9	177.5	0	0	110.4	K24 D203 T207 T208 L209 V228 V235 Q237	K24-E205 IonicContact NZ-OE1 3.97Å; K24-E205 PolarHBondContact NZ-OE1 3.5Å; D203-E205 VanDerWaalsContact C-N 3.32Å; D203-E205 PolarHBondContact O-N 3.29Å; D203-E205 WeakPolarHBondContact OD1-CA 3.48Å; D203-E205 VanDerWaalsContact OD1-CB 3.26Å; D203-E205 WeakPolarHBondContact OD1-CB 3.48Å; D203-E205 PolarHBondContact OD1-N 3.43Å; E205-T207 PolarHBondContact O-N 3.37Å; E205-T208 PolarHBondContact O-N 3.38Å; E205-L209 WeakPolarHBondContact O-CB 3.29Å; E205-L209 PolarHBondContact O-N 3.3Å; E205-V228 HydrophobicContact CG-CG1 4.27Å; E205-V235 HydrophobicContact CB-CG1 3.91Å; E205-V235 HydrophobicContact CG-CG1 3.95Å; E205-Q237 HydrophobicContact CG-CG 4.1Å; E205-Q237 WeakPolarHBondContact OE1-CG 3.3Å; E205-Q237 PolarHBondContact OE1-NE2 3.13Å; E205-Q237 PolarHBondContact OE1-OE1 3.21Å
206	E	95.7	Very high	92.3	Very high	132 Å²	132	71.3 Å²	71.3	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-60.9	-46.8	-178.6	-171.9	-178.4	-179.4	0	0	112	D203 T208 L209 H210	D203-E206 HydrophobicContact CB-CB 3.87Å; D203-E206 PolarHBondContact O-N 3.49Å; D203-E206 PolarHBondContact OD1-N 2.67Å; E206-T208 PolarHBondContact O-N 3.04Å; E206-L209 PolarHBondContact O-N 3.34Å; E206-H210 VanDerWaalsContact O-CB 3.28Å; E206-H210 WeakPolarHBondContact O-CB 3.26Å; E206-H210 PolarHBondContact O-N 3.08Å
207	T	96.5	Very high	92.5	Very high	5 Å²	5	72.5 Å²	72.5	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-66.7	-36.2	179.1	46.3	0	0	0	0	113.1	Y191 L199 S202 D203 V204 E205 L211 R222	Y191-T207 HydrophobicContact CE2-CG2 4.12Å; L199-T207 HydrophobicContact CD1-CG2 4.01Å; S202-T207 WeakPolarHBondContact OG-CG2 3.3Å; D203-T207 PolarHBondContact O-N 3.04Å; D203-T207 PolarHBondContact O-OG1 3.28Å; V204-T207 PolarHBondContact O-OG1 3.39Å; E205-T207 PolarHBondContact O-N 3.37Å; T207-L211 WeakPolarHBondContact O-CB 3.49Å; T207-L211 PolarHBondContact O-N 2.99Å; T207-R222 PolarHBondContact OG1-NH1 3.07Å
208	T	97.5	Very high	92.9	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-68.6	-43.4	177.3	-54.7	0	0	0	0	110.8	F187 V204 E205 E206 L211 A212 I220 R222 V228	F187-T208 HydrophobicContact CE2-CG2 4.31Å; V204-T208 VanDerWaalsContact O-CB 3.29Å; V204-T208 WeakPolarHBondContact O-CB 3.23Å; V204-T208 PolarHBondContact O-N 3.45Å; V204-T208 PolarHBondContact O-OG1 3.25Å; E205-T208 PolarHBondContact O-N 3.38Å; E206-T208 PolarHBondContact O-N 3.04Å; T208-L211 PolarHBondContact O-N 2.71Å; T208-A212 PolarHBondContact O-N 3.2Å; T208-A212 VanDerWaalsContact O-N 3.13Å; T208-I220 HydrophobicContact CG2-CB 4.05Å; T208-I220 HydrophobicContact CG2-CG2 4.03Å; T208-R222 HydrophobicContact CG2-CB 4.29Å; T208-R222 WeakPolarHBondContact OG1-CD 3.43Å; T208-V228 HydrophobicContact CG2-CG1 4.13Å
209	L	97.3	Very high	93.3	Very high	43 Å²	43	61.9 Å²	61.9	23%	0.225	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-47.9	173.2	-179.2	69.5	0	0	0	111.5	E205 E206 L211 A212 Q213 S230 G232 V235	E205-L209 WeakPolarHBondContact O-CB 3.29Å; E205-L209 PolarHBondContact O-N 3.3Å; E206-L209 PolarHBondContact O-N 3.34Å; L209-L211 PolarHBondContact O-N 2.87Å; L209-A212 PolarHBondContact O-N 2.87Å; L209-Q213 WeakPolarHBondContact O-CG 3.43Å; L209-Q213 PolarHBondContact O-N 2.79Å; L209-S230 WeakPolarHBondContact CA-OG 3.44Å; L209-S230 VanDerWaalsContact CD1-OG 3.3Å; L209-S230 WeakPolarHBondContact CD1-OG 3.42Å; L209-G232 WeakPolarHBondContact CD1-O 3.49Å; L209-V235 HydrophobicContact CB-CG2 3.78Å; L209-V235 HydrophobicContact CD1-CG2 3.79Å; L209-V235 HydrophobicContact CD2-CG2 4.26Å; L209-V235 HydrophobicContact CG-CG2 4.15Å
210	H	97	Very high	93.8	Very high	55 Å²	55	59.1 Å²	59.1	26%	0.255	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-42.7	-178.9	-179	-143.2	0	0	0	112.2	Y191 E206 A212 Q213 K214	Y191-H210 PolarHBondContact OH-ND1 3.05Å; E206-H210 VanDerWaalsContact O-CB 3.28Å; E206-H210 WeakPolarHBondContact O-CB 3.26Å; E206-H210 PolarHBondContact O-N 3.08Å; H210-A212 PolarHBondContact O-N 3.11Å; H210-Q213 PolarHBondContact O-N 3.18Å; H210-K214 WeakPolarHBondContact NE2-CE 3.23Å; H210-K214 VanDerWaalsContact O-CG 3.32Å; H210-K214 WeakPolarHBondContact O-CG 3.36Å; H210-K214 PolarHBondContact O-N 2.94Å
211	L	97.3	Very high	94.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-44.9	176	-179.1	58.6	0	0	0	111.7	F187 L190 Y191 V194 I195 T207 T208 L209 Q213 K214 L215 I220	F187-L211 HydrophobicContact CD2-CD2 3.96Å; F187-L211 HydrophobicContact CE2-CB 4.43Å; F187-L211 HydrophobicContact CE2-CD2 3.52Å; F187-L211 HydrophobicContact CZ-CB 4.23Å; F187-L211 HydrophobicContact CZ-CD2 3.84Å; L190-L211 HydrophobicContact CD2-CD2 4.04Å; L190-L211 HydrophobicContact CG-CD2 4.19Å; Y191-L211 HydrophobicContact CD2-CB 4.19Å; V194-L211 HydrophobicContact CB-CD1 3.8Å; V194-L211 HydrophobicContact CG1-CD1 3.9Å; V194-L211 HydrophobicContact CG2-CD1 3.99Å; I195-L211 HydrophobicContact CD1-CD1 4.4Å; T207-L211 WeakPolarHBondContact O-CB 3.49Å; T207-L211 PolarHBondContact O-N 2.99Å; T208-L211 PolarHBondContact O-N 2.71Å; L209-L211 PolarHBondContact O-N 2.87Å; L211-Q213 VanDerWaalsContact C-N 3.32Å; L211-Q213 PolarHBondContact O-N 3.3Å; L211-K214 PolarHBondContact O-N 3.45Å; L211-L215 HydrophobicContact CD1-CD1 4.12Å; L211-L215 HydrophobicContact CD1-CG 4.42Å; L211-L215 HydrophobicContact CG-CD1 4.18Å; L211-L215 PolarHBondContact O-N 3.07Å; L211-I220 HydrophobicContact CG-CG1 4.49Å
212	A	98	Very high	95.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-40.5	176.7	0	0	0	0	0	112	T208 L209 H210 L215 D216 Y217 V218 I220 G232	T208-A212 PolarHBondContact O-N 3.2Å; T208-A212 VanDerWaalsContact O-N 3.13Å; L209-A212 PolarHBondContact O-N 2.87Å; H210-A212 PolarHBondContact O-N 3.11Å; A212-L215 CarbonylContact O-C 3.5Å; A212-L215 PolarHBondContact O-N 3.24Å; A212-D216 PolarHBondContact O-N 2.93Å; A212-Y217 WeakPolarHBondContact O-CA 3.41Å; A212-Y217 PolarHBondContact O-N 2.89Å; A212-V218 WeakPolarHBondContact CB-O 3.42Å; A212-I220 HydrophobicContact CB-CG1 3.93Å; A212-G232 VanDerWaalsContact CB-N 3.26Å
213	Q	97.9	Very high	96.7	Very high	86 Å²	86	41.5 Å²	41.5	40%	0.402	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-41	173.9	-71.8	171.9	-12.4	0	0	112.5	L209 H210 L211 L215 D216 G232	L209-Q213 WeakPolarHBondContact O-CG 3.43Å; L209-Q213 PolarHBondContact O-N 2.79Å; H210-Q213 PolarHBondContact O-N 3.18Å; L211-Q213 VanDerWaalsContact C-N 3.32Å; L211-Q213 PolarHBondContact O-N 3.3Å; Q213-L215 VanDerWaalsContact C-N 3.28Å; Q213-L215 PolarHBondContact O-N 3.25Å; Q213-D216 PolarHBondContact O-N 2.84Å; Q213-G232 VanDerWaalsContact CG-O 3.23Å; Q213-G232 WeakPolarHBondContact CG-O 3.41Å; Q213-G232 PolarHBondContact NE2-O 3.42Å
214	K	96.9	Very high	96.7	Very high	111 Å²	111	38.5 Å²	38.5	48%	0.483	19%	0.189	S	C	.	.	H	α-helix	trans	-71.2	-23.7	178.9	-69	-69.2	-178.2	-172.1	0	113.7	V194 I195 H210 L211	V194-K214 HydrophobicContact CG1-CB 3.68Å; I195-K214 HydrophobicContact CD1-CG 4.35Å; I195-K214 HydrophobicContact CG1-CB 4.38Å; I195-K214 HydrophobicContact CG1-CG 4.04Å; H210-K214 WeakPolarHBondContact NE2-CE 3.23Å; H210-K214 VanDerWaalsContact O-CG 3.32Å; H210-K214 WeakPolarHBondContact O-CG 3.36Å; H210-K214 PolarHBondContact O-N 2.94Å; L211-K214 PolarHBondContact O-N 3.45Å
215	L	96.9	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	13.1	169.5	-70.1	170.9	0	0	0	112.9	L172 Q173 G174 L180 V194 L211 A212 Q213 V218 I220	L172-L215 HydrophobicContact CB-CD2 4.49Å; Q173-L215 WeakPolarHBondContact CA-O 3.46Å; Q173-L215 HydrophobicContact CG-CD2 4.29Å; G174-L215 PolarHBondContact N-O 2.92Å; G174-L215 VanDerWaalsContact N-O 3.08Å; L180-L215 HydrophobicContact CD1-CD1 3.9Å; V194-L215 HydrophobicContact CG1-CD2 4.17Å; V194-L215 HydrophobicContact CG1-CG 4.2Å; V194-L215 HydrophobicContact CG2-CD1 4.48Å; V194-L215 HydrophobicContact CG2-CD2 3.75Å; V194-L215 HydrophobicContact CG2-CG 4.2Å; L211-L215 HydrophobicContact CD1-CD1 4.12Å; L211-L215 HydrophobicContact CD1-CG 4.42Å; L211-L215 HydrophobicContact CG-CD1 4.18Å; L211-L215 PolarHBondContact O-N 3.07Å; A212-L215 CarbonylContact O-C 3.5Å; A212-L215 PolarHBondContact O-N 3.24Å; Q213-L215 VanDerWaalsContact C-N 3.28Å; Q213-L215 PolarHBondContact O-N 3.25Å; L215-V218 HydrophobicContact CB-CB 3.97Å; L215-V218 HydrophobicContact CB-CG2 4.15Å; L215-V218 WeakPolarHBondContact O-CG2 3.18Å; L215-I220 HydrophobicContact CD1-CD1 3.93Å
216	D	96.6	Very high	96.3	Very high	86 Å²	86	42 Å²	42	46%	0.46	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	56.7	179.2	-171	37.9	0	0	0	112.3	G174 A212 Q213 V218	G174-D216 WeakPolarHBondContact CA-O 3.33Å; G174-D216 VanDerWaalsContact CA-OD2 3.3Å; G174-D216 WeakPolarHBondContact CA-OD2 3.23Å; A212-D216 PolarHBondContact O-N 2.93Å; Q213-D216 PolarHBondContact O-N 2.84Å; D216-V218 PolarHBondContact O-N 3.05Å
217	Y	96.9	Very high	96.3	Very high	89 Å²	89	36.3 Å²	36.3	35%	0.349	18%	0.183	S	C	.	.	S	Bend	trans	67.4	31.7	173.2	-48	-80	0	0	0	115.2	A212 D231 R233	A212-Y217 WeakPolarHBondContact O-CA 3.41Å; A212-Y217 PolarHBondContact O-N 2.89Å; Y217-D231 WeakPolarHBondContact CA-O 3.47Å; Y217-D231 WeakPolarHBondContact CB-O 3.43Å; Y217-D231 WeakPolarHBondContact CD1-O 3.26Å; Y217-R233 HydrophobicContact CD1-CG 3.79Å; Y217-R233 HydrophobicContact CE1-CG 3.84Å
218	V	97.8	Very high	96.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.			trans	-71.7	139.1	163.1	172.6	0	0	0	0	109.5	L172 L178 L180 A212 L215 D216 I220	L172-V218 WeakPolarHBondContact O-CG2 3.38Å; L178-V218 HydrophobicContact CB-CG1 4.18Å; L178-V218 HydrophobicContact CD2-CG1 3.98Å; L178-V218 HydrophobicContact CD2-CG2 4.4Å; L178-V218 HydrophobicContact CG-CG1 3.98Å; L180-V218 HydrophobicContact CD1-CG1 4.12Å; L180-V218 HydrophobicContact CG-CG1 3.85Å; A212-V218 WeakPolarHBondContact CB-O 3.42Å; L215-V218 HydrophobicContact CB-CB 3.97Å; L215-V218 HydrophobicContact CB-CG2 4.15Å; L215-V218 WeakPolarHBondContact O-CG2 3.18Å; D216-V218 PolarHBondContact O-N 3.05Å; V218-I220 HydrophobicContact CG1-CD1 4.3Å
219	T	98.6	Very high	96.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.3	179.5	-60.6	0	0	0	0	111.3	L178 I179 L180 I229 S230 P285 V286	L178-T219 PolarHBondContact O-N 3.14Å; I179-T219 CarbonylContact C-O 3.16Å; I179-T219 WeakPolarHBondContact CA-O 2.98Å; I179-T219 HydrophobicContact CG1-CG2 4.19Å; I179-T219 HydrophobicContact CG2-CG2 4.49Å; L180-T219 PolarHBondContact N-O 3.24Å; T219-I229 HydrophobicContact CG2-CG2 4.11Å; T219-S230 CarbonylContact C-O 3.33Å; T219-S230 WeakPolarHBondContact CA-O 3.32Å; T219-P285 HydrophobicContact CG2-CB 3.97Å; T219-P285 VanDerWaalsContact OG1-CB 3.23Å; T219-P285 WeakPolarHBondContact OG1-CB 3.32Å; T219-V286 HydrophobicContact CG2-CG2 4.22Å
220	I	98.6	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.9	178.2	-50.7	-59.2	0	0	0	109.4	L180 P182 F187 T208 L211 A212 L215 V218 I229 S230	L180-I220 HydrophobicContact CB-CD1 3.8Å; L180-I220 HydrophobicContact CD1-CD1 3.68Å; L180-I220 HydrophobicContact CG-CD1 3.95Å; P182-I220 HydrophobicContact CG-CG2 3.97Å; F187-I220 HydrophobicContact CD2-CG2 4.17Å; F187-I220 HydrophobicContact CE2-CG2 3.96Å; T208-I220 HydrophobicContact CG2-CB 4.05Å; T208-I220 HydrophobicContact CG2-CG2 4.03Å; L211-I220 HydrophobicContact CG-CG1 4.49Å; A212-I220 HydrophobicContact CB-CG1 3.93Å; L215-I220 HydrophobicContact CD1-CD1 3.93Å; V218-I220 HydrophobicContact CG1-CD1 4.3Å; I220-I229 VanDerWaalsContact O-CA 3.29Å; I220-I229 WeakPolarHBondContact O-CA 3.44Å; I220-S230 PolarHBondContact N-O 3.23Å; I220-S230 PolarHBondContact O-N 2.96Å
221	V	98.5	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	93.9	171	-177.5	0	0	0	0	107.6	I179 L180 T181 P182 K223 I229 L254 A289	I179-V221 HydrophobicContact CG2-CG2 3.58Å; L180-V221 PolarHBondContact O-N 3.35Å; T181-V221 CarbonylContact C-O 3.43Å; T181-V221 WeakPolarHBondContact CA-O 3.33Å; T181-V221 HydrophobicContact CG2-CB 4.12Å; T181-V221 HydrophobicContact CG2-CG2 4.44Å; P182-V221 WeakPolarHBondContact CD-O 3.49Å; V221-K223 PolarHBondContact O-N 3.39Å; V221-I229 HydrophobicContact CG1-CG1 4.18Å; V221-I229 HydrophobicContact CG2-CG1 4.17Å; V221-I229 HydrophobicContact CG2-CG2 4.29Å; V221-L254 HydrophobicContact CG1-CD2 4.39Å; V221-A289 HydrophobicContact CG2-CB 3.39Å
222	R	97.4	Very high	96.4	Very high	21 Å²	21	32.2 Å²	32.2	8%	0.079	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	105.4	176.4	-175.9	176.3	177	177.1	-0.4	108.9	P182 F187 T207 T208 D227 V228	P182-R222 WeakPolarHBondContact O-CA 3.23Å; F187-R222 HydrophobicContact CB-CG 4.37Å; F187-R222 HydrophobicContact CD2-CB 4.01Å; F187-R222 HydrophobicContact CD2-CG 3.82Å; F187-R222 HydrophobicContact CE2-CB 4.26Å; F187-R222 HydrophobicContact CE2-CG 4.3Å; F187-R222 HydrophobicContact CG-CG 4.07Å; T207-R222 PolarHBondContact OG1-NH1 3.07Å; T208-R222 HydrophobicContact CG2-CB 4.29Å; T208-R222 WeakPolarHBondContact OG1-CD 3.43Å; R222-D227 WeakPolarHBondContact O-CA 3.42Å; R222-V228 HydrophobicContact CB-CB 4.44Å; R222-V228 PolarHBondContact N-O 3.2Å; R222-V228 PolarHBondContact O-N 3.12Å
223	K	95.4	Very high	96.3	Very high	34 Å²	34	41.1 Å²	41.1	15%	0.148	20%	0.197	C	C	.	.			trans	-73.1	130.5	-179.8	-55	176.3	-60.2	-151.6	0	109.9	D158 T181 P182 E186 V221 D227 L254	D158-K223 IonicContact OD1-NZ 2.91Å; D158-K223 PolarHBondContact OD1-NZ 3.25Å; D158-K223 IonicContact OD2-NZ 2.59Å; T181-K223 WeakPolarHBondContact O-CD 3.17Å; T181-K223 WeakPolarHBondContact O-CE 3.46Å; T181-K223 PolarHBondContact O-NZ 2.98Å; P182-K223 PolarHBondContact O-N 3.26Å; E186-K223 IonicContact OE2-NZ 3.69Å; V221-K223 PolarHBondContact O-N 3.39Å; K223-D227 VanDerWaalsContact CA-OD1 3.32Å; K223-D227 WeakPolarHBondContact CA-OD1 3.21Å; K223-L254 HydrophobicContact CD-CD2 3.9Å; K223-L254 HydrophobicContact CG-CD2 3.96Å
224	G	91.7	Very high	96.2	Very high	29 Å²	29	38.8 Å²	38.8	30%	0.299	19%	0.189	S	C	.	.	S	Bend	trans	-164.2	-164.1	-173.7	0	0	0	0	0	115.1	Q226 D227	G224-Q226 VanDerWaalsContact C-N 3.25Å; G224-D227 PolarHBondContact N-OD1 3.23Å
225	T	88.8	Confident	96.1	Very high	105 Å²	105	35.2 Å²	35.2	64%	0.644	18%	0.177	S	C	*	.	S	Bend	trans	-61.4	-41.2	168.5	48	0	0	0	0	110.3	R297	T225-R297 VanDerWaalsContact O-CZ 3.29Å; T225-R297 PolarHBondContact O-NH1 3.38Å; T225-R297 PolarHBondContact O-NH2 2.95Å
226	Q	91.1	Very high	96.1	Very high	85 Å²	85	35.4 Å²	35.4	40%	0.397	18%	0.177	S	C	.	.	S	Bend	trans	-114.4	138	159.9	-65.9	173.2	-36.7	0	0	107.1	G224 D239	G224-Q226 VanDerWaalsContact C-N 3.25Å; Q226-D239 HydrophobicContact CG-CB 4.48Å
227	D	95.4	Very high	96	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.07	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129	175.6	-55.6	-52.8	0	0	0	108.2	R222 K223 G224 Q237 C238 C293 R297	R222-D227 WeakPolarHBondContact O-CA 3.42Å; K223-D227 VanDerWaalsContact CA-OD1 3.32Å; K223-D227 WeakPolarHBondContact CA-OD1 3.21Å; G224-D227 PolarHBondContact N-OD1 3.23Å; D227-Q237 CarbonylContact O-C 3.59Å; D227-Q237 WeakPolarHBondContact O-CA 3.2Å; D227-C238 HydrophobicContact CB-CB 4.31Å; D227-C238 PolarHBondContact N-O 3.49Å; D227-C238 PolarHBondContact O-N 2.77Å; D227-C293 HydrophobicContact CB-CB 4.25Å; D227-R297 IonicContact OD1-NH1 3.98Å; D227-R297 WeakPolarHBondContact OD2-CD 3.15Å; D227-R297 IonicContact OD2-CZ 3.73Å; D227-R297 IonicContact OD2-NH1 3.1Å; D227-R297 PolarHBondContact OD2-NH1 3.42Å
228	V	97.3	Very high	95.8	Very high	2 Å²	2	28 Å²	28	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.5	-179	-176.3	0	0	0	0	108.8	V204 E205 T208 R222 V235 Q237	V204-V228 HydrophobicContact CB-CG2 4.49Å; V204-V228 HydrophobicContact CG1-CB 4.22Å; V204-V228 HydrophobicContact CG1-CG2 3.53Å; E205-V228 HydrophobicContact CG-CG1 4.27Å; T208-V228 HydrophobicContact CG2-CG1 4.13Å; R222-V228 HydrophobicContact CB-CB 4.44Å; R222-V228 PolarHBondContact N-O 3.2Å; R222-V228 PolarHBondContact O-N 3.12Å; V228-V235 HydrophobicContact CG1-CG1 3.8Å; V228-Q237 HydrophobicContact CG2-CG 4.1Å
229	I	98.4	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.2	-177.5	-55	95.7	0	0	0	109.1	T219 I220 V221 V235 I236 C238 V286 A289	T219-I229 HydrophobicContact CG2-CG2 4.11Å; I220-I229 VanDerWaalsContact O-CA 3.29Å; I220-I229 WeakPolarHBondContact O-CA 3.44Å; V221-I229 HydrophobicContact CG1-CG1 4.18Å; V221-I229 HydrophobicContact CG2-CG1 4.17Å; V221-I229 HydrophobicContact CG2-CG2 4.29Å; I229-V235 WeakPolarHBondContact O-CA 3.49Å; I229-I236 HydrophobicContact CB-CG2 3.86Å; I229-I236 HydrophobicContact CD1-CG2 4.27Å; I229-I236 HydrophobicContact CG2-CG2 4.46Å; I229-I236 PolarHBondContact N-O 2.8Å; I229-I236 PolarHBondContact O-N 3.43Å; I229-C238 HydrophobicContact CD1-CB 4.38Å; I229-V286 HydrophobicContact CG2-CB 4.32Å; I229-V286 HydrophobicContact CG2-CG1 4.05Å; I229-V286 HydrophobicContact CG2-CG2 4.22Å; I229-A289 HydrophobicContact CG1-CB 4.05Å; I229-A289 HydrophobicContact CG2-CB 3.77Å
230	S	98	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	142.8	172.4	-173.1	0	0	0	0	112.8	L209 T219 I220 G232 T234	L209-S230 WeakPolarHBondContact CA-OG 3.44Å; L209-S230 VanDerWaalsContact CD1-OG 3.3Å; L209-S230 WeakPolarHBondContact CD1-OG 3.42Å; T219-S230 CarbonylContact C-O 3.33Å; T219-S230 WeakPolarHBondContact CA-O 3.32Å; I220-S230 PolarHBondContact N-O 3.23Å; I220-S230 PolarHBondContact O-N 2.96Å; S230-G232 PolarHBondContact OG-N 2.81Å; S230-G232 VanDerWaalsContact OG-N 3.12Å; S230-T234 VanDerWaalsContact CA-O 3.26Å; S230-T234 WeakPolarHBondContact CA-O 3.24Å; S230-T234 VanDerWaalsContact CB-O 3.3Å; S230-T234 WeakPolarHBondContact CB-O 3.25Å; S230-T234 PolarHBondContact OG-O 3.39Å
231	D	97.5	Very high	94.2	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.07	19%	0.188	C	C	.	.			trans	-104.5	15	169.7	62.7	-1.4	0	0	0	112.9	Y217 R233 T234 S283 V286	Y217-D231 WeakPolarHBondContact CA-O 3.47Å; Y217-D231 WeakPolarHBondContact CB-O 3.43Å; Y217-D231 WeakPolarHBondContact CD1-O 3.26Å; D231-R233 PolarHBondContact O-N 3.36Å; D231-R233 PolarHBondContact OD1-N 2.62Å; D231-T234 PolarHBondContact OD1-N 2.88Å; D231-T234 PolarHBondContact OD1-OG1 3.18Å; D231-T234 VanDerWaalsContact OD1-OG1 3.08Å; D231-S283 VanDerWaalsContact OD2-CB 3.26Å; D231-S283 WeakPolarHBondContact OD2-CB 3.34Å; D231-S283 PolarHBondContact OD2-OG 3.24Å; D231-V286 HydrophobicContact CB-CG2 3.68Å
232	G	96.9	Very high	93.5	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.021	20%	0.2	C	C	.	.	S	Bend	trans	84.1	-6.6	-177.8	0	0	0	0	0	114.2	L209 A212 Q213 S230	L209-G232 WeakPolarHBondContact CD1-O 3.49Å; A212-G232 VanDerWaalsContact CB-N 3.26Å; Q213-G232 VanDerWaalsContact CG-O 3.23Å; Q213-G232 WeakPolarHBondContact CG-O 3.41Å; Q213-G232 PolarHBondContact NE2-O 3.42Å; S230-G232 PolarHBondContact OG-N 2.81Å; S230-G232 VanDerWaalsContact OG-N 3.12Å
233	R	95.5	Very high	93.1	Very high	186 Å²	186	38.5 Å²	38.5	70%	0.702	20%	0.201	S	C	*	.	S	Bend	trans	-116.1	-43.7	175.6	-60.2	178.5	-177.4	176.2	1	111.7	Y217 D231	Y217-R233 HydrophobicContact CD1-CG 3.79Å; Y217-R233 HydrophobicContact CE1-CG 3.84Å; D231-R233 PolarHBondContact O-N 3.36Å; D231-R233 PolarHBondContact OD1-N 2.62Å
234	T	95.5	Very high	92.8	Very high	37 Å²	37	42 Å²	42	23%	0.227	23%	0.227	C	C	.	.			trans	-117.3	153.7	-179.8	61.4	0	0	0	0	110.2	S230 D231 Y282	S230-T234 VanDerWaalsContact CA-O 3.26Å; S230-T234 WeakPolarHBondContact CA-O 3.24Å; S230-T234 VanDerWaalsContact CB-O 3.3Å; S230-T234 WeakPolarHBondContact CB-O 3.25Å; S230-T234 PolarHBondContact OG-O 3.39Å; D231-T234 PolarHBondContact OD1-N 2.88Å; D231-T234 PolarHBondContact OD1-OG1 3.18Å; D231-T234 VanDerWaalsContact OD1-OG1 3.08Å; T234-Y282 HydrophobicContact CG2-CD1 4.3Å
235	V	95.6	Very high	92.9	Very high	37 Å²	37	44.9 Å²	44.9	22%	0.224	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.6	168.8	-172	0	0	0	0	108.5	E205 L209 V228 I229	E205-V235 HydrophobicContact CB-CG1 3.91Å; E205-V235 HydrophobicContact CG-CG1 3.95Å; L209-V235 HydrophobicContact CB-CG2 3.78Å; L209-V235 HydrophobicContact CD1-CG2 3.79Å; L209-V235 HydrophobicContact CD2-CG2 4.26Å; L209-V235 HydrophobicContact CG-CG2 4.15Å; V228-V235 HydrophobicContact CG1-CG1 3.8Å; I229-V235 WeakPolarHBondContact O-CA 3.49Å
236	I	95.7	Very high	92.9	Very high	3 Å²	3	48 Å²	48	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.1	170.8	-170.9	167.7	0	0	0	109.7	N27 A30 I229 Y282 V286 F290	N27-I236 WeakPolarHBondContact OD1-CG1 3.48Å; A30-I236 HydrophobicContact CB-CD1 3.37Å; I229-I236 HydrophobicContact CB-CG2 3.86Å; I229-I236 HydrophobicContact CD1-CG2 4.27Å; I229-I236 HydrophobicContact CG2-CG2 4.46Å; I229-I236 PolarHBondContact N-O 2.8Å; I229-I236 PolarHBondContact O-N 3.43Å; I236-Y282 HydrophobicContact CB-CE1 3.98Å; I236-Y282 HydrophobicContact CD1-CE1 4.3Å; I236-Y282 HydrophobicContact CD1-CE2 4.09Å; I236-Y282 HydrophobicContact CG2-CE1 4.46Å; I236-V286 HydrophobicContact CG2-CG1 3.68Å; I236-F290 HydrophobicContact CD1-CD1 4.41Å; I236-F290 HydrophobicContact CD1-CD2 3.5Å; I236-F290 HydrophobicContact CD1-CE1 4.5Å; I236-F290 HydrophobicContact CD1-CE2 3.6Å; I236-F290 HydrophobicContact CD1-CG 3.94Å; I236-F290 HydrophobicContact CD1-CZ 4.12Å; I236-F290 HydrophobicContact CG1-CD2 3.81Å; I236-F290 HydrophobicContact CG1-CE2 3.93Å; I236-F290 HydrophobicContact CG2-CB 4.44Å; I236-F290 HydrophobicContact CG2-CD2 4.24Å
237	Q	95.4	Very high	92.8	Very high	20 Å²	20	44.7 Å²	44.7	9%	0.093	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.1	175.7	-64.6	-170.3	-39.6	0	0	110.1	N27 E205 D227 V228 D239	N27-Q237 PolarHBondContact ND2-O 3.21Å; N27-Q237 PolarHBondContact OD1-O 3.31Å; N27-Q237 VanDerWaalsContact OD1-O 3.13Å; E205-Q237 HydrophobicContact CG-CG 4.1Å; E205-Q237 WeakPolarHBondContact OE1-CG 3.3Å; E205-Q237 PolarHBondContact OE1-NE2 3.13Å; E205-Q237 PolarHBondContact OE1-OE1 3.21Å; D227-Q237 CarbonylContact O-C 3.59Å; D227-Q237 WeakPolarHBondContact O-CA 3.2Å; V228-Q237 HydrophobicContact CG2-CG 4.1Å; Q237-D239 PolarHBondContact O-N 2.92Å
238	C	93.7	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	99.8	165.4	179.6	0	0	0	0	109.2	D227 I229 F290 C293 C294 R297	D227-C238 HydrophobicContact CB-CB 4.31Å; D227-C238 PolarHBondContact N-O 3.49Å; D227-C238 PolarHBondContact O-N 2.77Å; I229-C238 HydrophobicContact CD1-CB 4.38Å; C238-F290 HydrophobicContact CB-CD2 4.24Å; C238-F290 HydrophobicContact CB-CE2 4.27Å; C238-C293 HydrophobicContact CB-CB 3.7Å; C238-C294 VanDerWaalsContact SG-SG 3.61Å; C238-R297 WeakPolarHBondContact SG-CD 3.48Å
239	D	86.4	Confident	92.5	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.219	26%	0.256	C	S	.	.			trans	-101.6	8.7	-175.9	64.3	-11.6	0	0	0	113.9	N27 Q226 Q237 L241	N27-D239 PolarHBondContact ND2-OD1 2.87Å; Q226-D239 HydrophobicContact CG-CB 4.48Å; Q237-D239 PolarHBondContact O-N 2.92Å; D239-L241 PolarHBondContact O-N 2.85Å
240	L	88.9	Confident	92.4	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.058	26%	0.263	C	S	.	.			trans	-51.1	138.4	174.4	-74.4	-174.8	0	0	0	110.9	F18 N242 C294 R297 L327	F18-L240 HydrophobicContact CD1-CD2 3.71Å; F18-L240 HydrophobicContact CD2-CD2 3.78Å; F18-L240 HydrophobicContact CE1-CD2 3.64Å; F18-L240 HydrophobicContact CE2-CD2 3.71Å; F18-L240 HydrophobicContact CG-CD2 3.77Å; F18-L240 HydrophobicContact CZ-CD2 3.63Å; F18-L240 HydrophobicContact CZ-CG 4.42Å; L240-N242 PolarHBondContact O-N 3.4Å; L240-C294 HydrophobicContact CD1-CB 3.69Å; L240-R297 VanDerWaalsContact O-CZ 3.23Å; L240-R297 PolarHBondContact O-NE 3.37Å; L240-R297 PolarHBondContact O-NH2 2.97Å; L240-L327 HydrophobicContact CD1-CD2 3.95Å
241	L	84.9	Confident	92.3	Very high	126 Å²	126	51.8 Å²	51.8	66%	0.66	28%	0.275	S	S	*	.			trans	-58.4	124.7	179.4	-175.2	67.5	0	0	0	110.2	D239	D239-L241 PolarHBondContact O-N 2.85Å
242	N	83.7	Confident	92.3	Very high	50 Å²	50	52.1 Å²	52.1	27%	0.267	28%	0.276	S	S	.	.			trans	-104.3	178.9	176.9	-162.7	4.3	0	0	0	110.2	L240 R297 N300	L240-N242 PolarHBondContact O-N 3.4Å; N242-R297 HydrophobicContact CB-CG 4.46Å; N242-N300 VanDerWaalsContact OD1-CB 3.26Å; N242-N300 WeakPolarHBondContact OD1-CB 3.26Å; N242-N300 PolarHBondContact OD1-ND2 2.71Å
243	S	89.4	Confident	92.4	Very high	14 Å²	14	52 Å²	52	10%	0.098	28%	0.275	C	S	.	.			trans	-93.7	155.5	171.1	96	0	0	0	0	111.9	R245 N300 F304	S243-R245 PolarHBondContact O-N 3.2Å; S243-R245 WeakPolarHBondContact OG-CB 3.38Å; S243-R245 PolarHBondContact OG-N 2.72Å; S243-R245 VanDerWaalsContact OG-N 3.07Å; S243-R245 PolarHBondContact OG-O 2.93Å; S243-N300 WeakPolarHBondContact CB-OD1 3.28Å; S243-N300 PolarHBondContact OG-ND2 2.77Å; S243-N300 VanDerWaalsContact OG-ND2 3.09Å; S243-N300 PolarHBondContact OG-OD1 3.46Å; S243-F304 VanDerWaalsContact CB-CG 3.47Å
244	P	89.9	Confident	92.5	Very high	107 Å²	107	43.6 Å²	43.6	70%	0.695	24%	0.244	S	C	*	.	S	Bend	trans	-72	-9.2	171.3	31.1	-35.2	0	0	0	112.6	R246 F304	P244-R246 PolarHBondContact O-N 2.98Å; P244-F304 HydrophobicContact CG-CE1 3.95Å; P244-F304 HydrophobicContact CG-CE2 4.07Å; P244-F304 HydrophobicContact CG-CZ 3.57Å
245	R	92.4	Very high	92.6	Very high	90 Å²	90	41.9 Å²	41.9	34%	0.34	23%	0.233	S	C	.	.			trans	-81.4	118.3	-179	-179	69.4	178.1	112.9	-4	110.7	S243 Q250 N300 F304 T311	S243-R245 PolarHBondContact O-N 3.2Å; S243-R245 WeakPolarHBondContact OG-CB 3.38Å; S243-R245 PolarHBondContact OG-N 2.72Å; S243-R245 VanDerWaalsContact OG-N 3.07Å; S243-R245 PolarHBondContact OG-O 2.93Å; R245-Q250 PolarHBondContact O-NE2 3Å; R245-N300 PolarHBondContact O-ND2 3.19Å; R245-F304 HydrophobicContact CB-CD2 3.72Å; R245-F304 HydrophobicContact CB-CE2 3.94Å; R245-T311 PolarHBondContact NE-O 3.41Å
246	R	88.9	Confident	92.8	Very high	171 Å²	171	40.1 Å²	40.1	65%	0.645	22%	0.223	S	C	*	.			trans	-111.2	91.6	170.7	-54.2	-170.9	-162.2	-167	6	110.5	P244	P244-R246 PolarHBondContact O-N 2.98Å
247	C	90.1	Very high	92.9	Very high	16 Å²	16	40 Å²	40	11%	0.108	22%	0.222	C	C	.	.			trans	-96.4	156.7	172.7	58.9	0	0	0	0	111.3	Q250 T313	C247-Q250 WeakPolarHBondContact O-CG 3.45Å; C247-Q250 PolarHBondContact SG-NE2 3.11Å; C247-Q250 VanDerWaalsContact SG-NE2 3.39Å; C247-T313 PolarHBondContact SG-N 3.33Å; C247-T313 PolarHBondContact SG-OG1 2.8Å
248	A	91.6	Very high	93.1	Very high	97 Å²	97	39 Å²	39	80%	0.802	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	140.9	176.4	0	0	0	0	0	111.2	T313	A248-T313 PolarHBondContact O-OG1 2.96Å
249	G	94	Very high	93.3	Very high	13 Å²	13	39 Å²	39	13%	0.134	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	100	-11	179.9	0	0	0	0	0	115.6	G251 D252 L253 T313	G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 2.89Å; G249-D252 WeakPolarHBondContact CA-OD2 3.44Å; G249-D252 WeakPolarHBondContact O-CB 3.26Å; G249-D252 PolarHBondContact O-N 3.42Å; G249-L253 PolarHBondContact O-N 3.3Å; G249-T313 WeakPolarHBondContact O-CG2 3.4Å
250	Q	95.6	Very high	93.9	Very high	30 Å²	30	37 Å²	37	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-37.9	-179.6	-70.4	-179.6	-17.4	0	0	112.8	R245 C247 D252 L253 L254 M316	R245-Q250 PolarHBondContact O-NE2 3Å; C247-Q250 WeakPolarHBondContact O-CG 3.45Å; C247-Q250 PolarHBondContact SG-NE2 3.11Å; C247-Q250 VanDerWaalsContact SG-NE2 3.39Å; Q250-D252 VanDerWaalsContact C-N 3.31Å; Q250-L253 PolarHBondContact O-N 3Å; Q250-L254 PolarHBondContact O-N 2.96Å; Q250-M316 HydrophobicContact CG-CE 3.99Å; Q250-M316 HydrophobicContact CG-SD 3.62Å; Q250-M316 PolarHBondContact NE2-SD 3.35Å; Q250-M316 VanDerWaalsContact NE2-SD 3.41Å
251	G	96	Very high	94.4	Very high	24 Å²	24	36.6 Å²	36.6	25%	0.247	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-36	174.7	0	0	0	0	0	112.4	G249 L253 L254 T255	G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 2.89Å; G251-L253 VanDerWaalsContact C-N 3.33Å; G251-L253 PolarHBondContact O-N 3.41Å; G251-L254 WeakPolarHBondContact O-CA 3.36Å; G251-L254 VanDerWaalsContact O-CB 3.32Å; G251-L254 WeakPolarHBondContact O-CB 3.31Å; G251-L254 PolarHBondContact O-N 3.17Å; G251-L254 VanDerWaalsContact O-N 3.08Å; G251-T255 PolarHBondContact O-N 3.02Å
252	D	98.2	Very high	95	Very high	20 Å²	20	30.6 Å²	30.6	11%	0.107	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-37.1	176.6	-57.1	-62.8	0	0	0	111.4	A65 F68 S69 G249 Q250 L254 T255 G256	A65-D252 WeakPolarHBondContact CB-OD1 3.32Å; A65-D252 WeakPolarHBondContact O-CB 3.46Å; F68-D252 HydrophobicContact CB-CB 3.68Å; S69-D252 WeakPolarHBondContact CA-O 3.4Å; G249-D252 WeakPolarHBondContact CA-OD2 3.44Å; G249-D252 WeakPolarHBondContact O-CB 3.26Å; G249-D252 PolarHBondContact O-N 3.42Å; Q250-D252 VanDerWaalsContact C-N 3.31Å; D252-L254 VanDerWaalsContact C-N 3.27Å; D252-L254 PolarHBondContact O-N 2.96Å; D252-T255 PolarHBondContact O-N 2.98Å; D252-T255 PolarHBondContact O-OG1 3.35Å; D252-G256 PolarHBondContact O-N 3.24Å
253	L	98.4	Very high	95.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-39.1	171.9	-60.1	-174.6	0	0	0	111.9	F68 S72 G249 Q250 G251 A257 I296 T313 M316 V317	F68-L253 HydrophobicContact CB-CD2 3.96Å; F68-L253 HydrophobicContact CD1-CD2 4.08Å; F68-L253 HydrophobicContact CG-CD2 4.39Å; F68-L253 WeakPolarHBondContact O-CD2 3.28Å; S72-L253 WeakPolarHBondContact CB-O 3.35Å; S72-L253 PolarHBondContact OG-O 3.47Å; G249-L253 PolarHBondContact O-N 3.3Å; Q250-L253 PolarHBondContact O-N 3Å; G251-L253 VanDerWaalsContact C-N 3.33Å; G251-L253 PolarHBondContact O-N 3.41Å; L253-A257 PolarHBondContact O-N 3.26Å; L253-A257 VanDerWaalsContact O-N 3.15Å; L253-I296 HydrophobicContact CB-CD1 3.78Å; L253-I296 HydrophobicContact CB-CG1 4.36Å; L253-T313 HydrophobicContact CD1-CG2 3.56Å; L253-T313 HydrophobicContact CD2-CG2 4Å; L253-T313 HydrophobicContact CG-CG2 3.61Å; L253-M316 HydrophobicContact CD1-CB 3.7Å; L253-M316 HydrophobicContact CD1-CE 4.09Å; L253-V317 HydrophobicContact CD1-CG2 4.16Å; L253-V317 HydrophobicContact CD2-CG2 3.51Å; L253-V317 HydrophobicContact CG-CG2 4.5Å
254	L	98.4	Very high	96.1	Very high	9 Å²	9	29.2 Å²	29.2	5%	0.047	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-48	176.8	178.7	64.8	0	0	0	111.1	V221 K223 Q250 G251 D252 G256 A257 V258 A292 I296	V221-L254 HydrophobicContact CG1-CD2 4.39Å; K223-L254 HydrophobicContact CD-CD2 3.9Å; K223-L254 HydrophobicContact CG-CD2 3.96Å; Q250-L254 PolarHBondContact O-N 2.96Å; G251-L254 WeakPolarHBondContact O-CA 3.36Å; G251-L254 VanDerWaalsContact O-CB 3.32Å; G251-L254 WeakPolarHBondContact O-CB 3.31Å; G251-L254 PolarHBondContact O-N 3.17Å; G251-L254 VanDerWaalsContact O-N 3.08Å; D252-L254 VanDerWaalsContact C-N 3.27Å; D252-L254 PolarHBondContact O-N 2.96Å; L254-G256 VanDerWaalsContact C-N 3.33Å; L254-G256 PolarHBondContact O-N 2.95Å; L254-A257 PolarHBondContact O-N 3.4Å; L254-V258 HydrophobicContact CD1-CG2 3.88Å; L254-V258 HydrophobicContact CG-CG2 4.02Å; L254-V258 WeakPolarHBondContact O-CB 3.16Å; L254-V258 VanDerWaalsContact O-CG2 3.23Å; L254-V258 WeakPolarHBondContact O-CG2 3.47Å; L254-V258 PolarHBondContact O-N 3.13Å; L254-A292 HydrophobicContact CD1-CB 3.77Å; L254-I296 HydrophobicContact CB-CG1 4.22Å; L254-I296 HydrophobicContact CD1-CG1 4.26Å
255	T	98.5	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.1	-41.8	-178.2	57.9	0	0	0	0	112.4	S69 I126 V156 D158 G251 D252 A257 V258 A259	S69-T255 PolarHBondContact OG-OG1 3.19Å; I126-T255 WeakPolarHBondContact CD1-O 3.38Å; V156-T255 HydrophobicContact CG1-CG2 4.26Å; D158-T255 HydrophobicContact CB-CG2 3.46Å; D158-T255 VanDerWaalsContact CB-CG2 3.46Å; D158-T255 WeakPolarHBondContact OD2-CG2 3.47Å; G251-T255 PolarHBondContact O-N 3.02Å; D252-T255 PolarHBondContact O-N 2.98Å; D252-T255 PolarHBondContact O-OG1 3.35Å; T255-A257 PolarHBondContact O-N 3.03Å; T255-V258 PolarHBondContact O-N 2.83Å; T255-A259 WeakPolarHBondContact O-CB 3.37Å; T255-A259 PolarHBondContact O-N 3.41Å
256	G	98.7	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-44.2	175.7	0	0	0	0	0	113.3	S69 A73 D252 L254 T260	S69-G256 VanDerWaalsContact O-CA 3.23Å; S69-G256 WeakPolarHBondContact O-CA 3.11Å; S69-G256 PolarHBondContact OG-N 3.44Å; A73-G256 WeakPolarHBondContact CA-O 3.01Å; A73-G256 WeakPolarHBondContact CB-O 3.41Å; D252-G256 PolarHBondContact O-N 3.24Å; L254-G256 VanDerWaalsContact C-N 3.33Å; L254-G256 PolarHBondContact O-N 2.95Å; G256-T260 PolarHBondContact O-N 2.86Å; G256-T260 PolarHBondContact O-OG1 3.41Å
257	A	98.8	Very high	96.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.2	-46.2	176.2	0	0	0	0	0	111.7	L253 L254 T255 A259 T260 F261 A292 L295 I296	L253-A257 PolarHBondContact O-N 3.26Å; L253-A257 VanDerWaalsContact O-N 3.15Å; L254-A257 PolarHBondContact O-N 3.4Å; T255-A257 PolarHBondContact O-N 3.03Å; A257-A259 VanDerWaalsContact C-N 3.33Å; A257-A259 PolarHBondContact O-N 3.33Å; A257-T260 PolarHBondContact O-N 2.95Å; A257-F261 VanDerWaalsContact O-CD2 3.25Å; A257-F261 WeakPolarHBondContact O-CD2 3.36Å; A257-F261 PolarHBondContact O-N 3.04Å; A257-A292 HydrophobicContact CB-CB 3.81Å; A257-L295 HydrophobicContact CB-CD2 4.15Å; A257-I296 HydrophobicContact CB-CD1 4.22Å; A257-I296 HydrophobicContact CB-CG1 4.35Å
258	V	98.8	Very high	96.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-54.2	-50.6	177.5	171.1	0	0	0	0	110	V156 I179 L254 T255 T260 F261 L262 A292	V156-V258 HydrophobicContact CG1-CG1 4.26Å; V156-V258 HydrophobicContact CG2-CB 4.4Å; V156-V258 HydrophobicContact CG2-CG1 3.68Å; I179-V258 HydrophobicContact CD1-CG1 3.56Å; I179-V258 HydrophobicContact CG2-CG1 4.37Å; L254-V258 HydrophobicContact CD1-CG2 3.88Å; L254-V258 HydrophobicContact CG-CG2 4.02Å; L254-V258 WeakPolarHBondContact O-CB 3.16Å; L254-V258 VanDerWaalsContact O-CG2 3.23Å; L254-V258 WeakPolarHBondContact O-CG2 3.47Å; L254-V258 PolarHBondContact O-N 3.13Å; T255-V258 PolarHBondContact O-N 2.83Å; V258-T260 VanDerWaalsContact C-N 3.3Å; V258-T260 PolarHBondContact O-N 2.94Å; V258-F261 PolarHBondContact O-N 3.21Å; V258-L262 VanDerWaalsContact O-CB 3.23Å; V258-L262 WeakPolarHBondContact O-CB 3.44Å; V258-L262 PolarHBondContact O-N 2.92Å; V258-A292 HydrophobicContact CB-CB 4.08Å; V258-A292 HydrophobicContact CG2-CB 3.38Å
259	A	98.8	Very high	96.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-37.4	-177.5	0	0	0	0	0	112.8	I53 V124 I126 V156 T255 A257 L262 H263	I53-A259 HydrophobicContact CD1-CB 4.37Å; I53-A259 WeakPolarHBondContact CD1-O 3.34Å; I53-A259 HydrophobicContact CG2-CB 3.54Å; V124-A259 HydrophobicContact CB-CB 4.41Å; V124-A259 HydrophobicContact CG1-CB 3.69Å; I126-A259 HydrophobicContact CD1-CB 3.61Å; I126-A259 HydrophobicContact CG1-CB 3.6Å; V156-A259 HydrophobicContact CG2-CB 4.14Å; T255-A259 WeakPolarHBondContact O-CB 3.37Å; T255-A259 PolarHBondContact O-N 3.41Å; A257-A259 VanDerWaalsContact C-N 3.33Å; A257-A259 PolarHBondContact O-N 3.33Å; A259-L262 WeakPolarHBondContact O-CB 3.4Å; A259-L262 PolarHBondContact O-N 3.3Å; A259-H263 PolarHBondContact O-N 2.86Å; A259-H263 VanDerWaalsContact O-N 3.15Å
260	T	98.7	Very high	96.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.9	-48.8	176.6	-55	0	0	0	0	111.1	A73 T76 A78 G256 A257 V258 L262 H263 W264	A73-T260 VanDerWaalsContact CA-OG1 3.29Å; A73-T260 WeakPolarHBondContact CA-OG1 3.39Å; A73-T260 WeakPolarHBondContact CB-OG1 3.33Å; A73-T260 PolarHBondContact O-OG1 3.29Å; T76-T260 HydrophobicContact CG2-CG2 3.8Å; A78-T260 HydrophobicContact CB-CG2 4.14Å; G256-T260 PolarHBondContact O-N 2.86Å; G256-T260 PolarHBondContact O-OG1 3.41Å; A257-T260 PolarHBondContact O-N 2.95Å; V258-T260 VanDerWaalsContact C-N 3.3Å; V258-T260 PolarHBondContact O-N 2.94Å; T260-L262 VanDerWaalsContact C-N 3.25Å; T260-L262 PolarHBondContact O-N 3.47Å; T260-H263 PolarHBondContact O-N 3.4Å; T260-W264 HydrophobicContact CG2-CD2 4.32Å; T260-W264 HydrophobicContact CG2-CH2 3.84Å; T260-W264 HydrophobicContact CG2-CZ2 3.43Å; T260-W264 VanDerWaalsContact CG2-CZ2 3.43Å; T260-W264 HydrophobicContact CG2-CZ3 4.41Å; T260-W264 PolarHBondContact O-N 3.46Å
261	F	98.6	Very high	95.3	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-32.8	174.6	-77.6	-69.3	0	0	0	112.4	V34 V38 T76 A257 V258 H263 W264 T265 A288 A291 A292 L295 F324 F328	V34-F261 HydrophobicContact CG1-CE1 4.25Å; V38-F261 HydrophobicContact CG2-CE1 4.03Å; T76-F261 HydrophobicContact CG2-CD2 4.32Å; T76-F261 HydrophobicContact CG2-CE2 3.9Å; T76-F261 HydrophobicContact CG2-CZ 4.24Å; A257-F261 VanDerWaalsContact O-CD2 3.25Å; A257-F261 WeakPolarHBondContact O-CD2 3.36Å; A257-F261 PolarHBondContact O-N 3.04Å; V258-F261 PolarHBondContact O-N 3.21Å; F261-H263 VanDerWaalsContact C-N 3.34Å; F261-H263 PolarHBondContact O-N 3.45Å; F261-W264 AromaticContact CD1-CE3 3.59Å; F261-W264 HydrophobicContact CD1-CE3 3.59Å; F261-W264 AromaticContact CD1-CZ3 3.84Å; F261-W264 HydrophobicContact CD1-CZ3 3.84Å; F261-W264 AromaticContact CE1-CE3 3.84Å; F261-W264 HydrophobicContact CE1-CE3 3.84Å; F261-W264 AromaticContact CE1-CZ3 3.64Å; F261-W264 HydrophobicContact CE1-CZ3 3.64Å; F261-W264 HydrophobicContact CG-CE3 4.37Å; F261-W264 HydrophobicContact CZ-CZ3 4.25Å; F261-W264 PolarHBondContact O-N 2.85Å; F261-W264 VanDerWaalsContact O-N 3.17Å; F261-T265 WeakPolarHBondContact O-CG2 3.31Å; F261-T265 PolarHBondContact O-N 2.66Å; F261-T265 PolarHBondContact O-OG1 2.88Å; F261-A288 HydrophobicContact CB-CB 3.8Å; F261-A291 HydrophobicContact CB-CB 4.36Å; F261-A291 HydrophobicContact CD1-CB 3.63Å; F261-A291 HydrophobicContact CD2-CB 3.74Å; F261-A291 HydrophobicContact CE1-CB 3.75Å; F261-A291 HydrophobicContact CE2-CB 3.86Å; F261-A291 HydrophobicContact CG-CB 3.65Å; F261-A291 HydrophobicContact CZ-CB 3.87Å; F261-A292 HydrophobicContact CD2-CB 4.05Å; F261-L295 HydrophobicContact CE2-CB 4.49Å; F261-L295 HydrophobicContact CE2-CD2 3.96Å; F261-L295 HydrophobicContact CZ-CD2 4.45Å; F261-F324 HydrophobicContact CE1-CE2 4.26Å; F261-F324 HydrophobicContact CZ-CD2 4.34Å; F261-F324 AromaticContact CZ-CE2 3.86Å; F261-F324 HydrophobicContact CZ-CE2 3.86Å; F261-F328 HydrophobicContact CE1-CE2 4.29Å; F261-F328 HydrophobicContact CE1-CZ 4.38Å; F261-F328 HydrophobicContact CE2-CE2 4.35Å; F261-F328 HydrophobicContact CZ-CD2 4.05Å; F261-F328 AromaticContact CZ-CE2 3.52Å; F261-F328 HydrophobicContact CZ-CE2 3.52Å; F261-F328 AromaticContact CZ-CZ 3.8Å; F261-F328 HydrophobicContact CZ-CZ 3.8Å
262	L	98.2	Very high	94	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-40.5	179.5	-166.3	59.7	0	0	0	111.4	V124 P154 V156 I179 V258 A259 T260 T265 Y266 P285 A288	V124-L262 HydrophobicContact CG1-CD2 4.06Å; P154-L262 HydrophobicContact CB-CD2 3.57Å; P154-L262 HydrophobicContact CB-CG 3.91Å; V156-L262 HydrophobicContact CG2-CD2 4.17Å; I179-L262 HydrophobicContact CD1-CD1 3.84Å; I179-L262 HydrophobicContact CD1-CD2 4.03Å; I179-L262 HydrophobicContact CD1-CG 4.49Å; I179-L262 HydrophobicContact CG1-CD2 4.47Å; V258-L262 VanDerWaalsContact O-CB 3.23Å; V258-L262 WeakPolarHBondContact O-CB 3.44Å; V258-L262 PolarHBondContact O-N 2.92Å; A259-L262 WeakPolarHBondContact O-CB 3.4Å; A259-L262 PolarHBondContact O-N 3.3Å; T260-L262 VanDerWaalsContact C-N 3.25Å; T260-L262 PolarHBondContact O-N 3.47Å; L262-T265 PolarHBondContact O-OG1 3.49Å; L262-Y266 HydrophobicContact CD1-CD2 3.9Å; L262-Y266 HydrophobicContact CD1-CE2 3.44Å; L262-Y266 VanDerWaalsContact CD1-CE2 3.44Å; L262-Y266 HydrophobicContact CD2-CE2 4.43Å; L262-Y266 HydrophobicContact CG-CD2 3.89Å; L262-Y266 HydrophobicContact CG-CE2 3.72Å; L262-Y266 WeakPolarHBondContact O-CB 3.28Å; L262-Y266 WeakPolarHBondContact O-CD2 3.43Å; L262-Y266 PolarHBondContact O-N 3Å; L262-Y266 VanDerWaalsContact O-N 3.1Å; L262-P285 HydrophobicContact CD1-CB 4.26Å; L262-P285 HydrophobicContact CD1-CG 4.26Å; L262-A288 HydrophobicContact CB-CB 4.03Å; L262-A288 HydrophobicContact CD1-CB 3.9Å
263	H	97.8	Very high	92	Very high	27 Å²	27	31.7 Å²	31.7	13%	0.125	15%	0.152	C	C	.	.	H	α-helix	trans	-58.1	-49.8	170.8	176.5	54.9	0	0	0	111.1	S49 G51 I53 D123 V124 A259 T260 F261 Y266 D267	S49-H263 PolarHBondContact O-NE2 3.48Å; G51-H263 WeakPolarHBondContact CA-CD2 3.39Å; G51-H263 PolarHBondContact N-CD2 3.23Å; I53-H263 HydrophobicContact CD1-CB 4.38Å; D123-H263 WeakPolarHBondContact CB-ND1 3.29Å; D123-H263 IonicContact OD2-CE1 2.9Å; D123-H263 IonicContact OD2-ND1 3.95Å; D123-H263 IonicContact OD2-NE2 3Å; V124-H263 HydrophobicContact CG2-CB 3.84Å; A259-H263 PolarHBondContact O-N 2.86Å; A259-H263 VanDerWaalsContact O-N 3.15Å; T260-H263 PolarHBondContact O-N 3.4Å; F261-H263 VanDerWaalsContact C-N 3.34Å; F261-H263 PolarHBondContact O-N 3.45Å; H263-Y266 PolarHBondContact O-N 3.14Å; H263-D267 WeakPolarHBondContact O-CB 3.49Å; H263-D267 PolarHBondContact O-N 3.36Å
264	W	97.3	Very high	89.7	Confident	9 Å²	9	39.4 Å²	39.4	3%	0.034	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-40.7	-176.2	-59.8	-16.4	0	0	0	113.5	V38 P39 Y50 T76 T260 F261 D267 R268 F324	V38-W264 HydrophobicContact CG1-CZ3 4.33Å; V38-W264 HydrophobicContact CG2-CE3 4.35Å; V38-W264 HydrophobicContact CG2-CZ3 4.32Å; P39-W264 HydrophobicContact CG-CD2 3.9Å; P39-W264 HydrophobicContact CG-CG 3.94Å; P39-W264 HydrophobicContact CG-CZ2 4.29Å; Y50-W264 PolarHBondContact O-NE1 2.89Å; T76-W264 HydrophobicContact CG2-CH2 4.1Å; T76-W264 HydrophobicContact CG2-CZ3 4.32Å; T76-W264 WeakPolarHBondContact O-CH2 3.37Å; T260-W264 HydrophobicContact CG2-CD2 4.32Å; T260-W264 HydrophobicContact CG2-CH2 3.84Å; T260-W264 HydrophobicContact CG2-CZ2 3.43Å; T260-W264 VanDerWaalsContact CG2-CZ2 3.43Å; T260-W264 HydrophobicContact CG2-CZ3 4.41Å; T260-W264 PolarHBondContact O-N 3.46Å; F261-W264 AromaticContact CD1-CE3 3.59Å; F261-W264 HydrophobicContact CD1-CE3 3.59Å; F261-W264 AromaticContact CD1-CZ3 3.84Å; F261-W264 HydrophobicContact CD1-CZ3 3.84Å; F261-W264 AromaticContact CE1-CE3 3.84Å; F261-W264 HydrophobicContact CE1-CE3 3.84Å; F261-W264 AromaticContact CE1-CZ3 3.64Å; F261-W264 HydrophobicContact CE1-CZ3 3.64Å; F261-W264 HydrophobicContact CG-CE3 4.37Å; F261-W264 HydrophobicContact CZ-CZ3 4.25Å; F261-W264 PolarHBondContact O-N 2.85Å; F261-W264 VanDerWaalsContact O-N 3.17Å; W264-D267 PolarHBondContact O-N 2.67Å; W264-R268 WeakPolarHBondContact O-CB 3.14Å; W264-R268 PolarHBondContact O-N 2.88Å; W264-F324 AromaticContact CH2-CE2 4Å; W264-F324 HydrophobicContact CH2-CE2 4Å; W264-F324 HydrophobicContact CH2-CZ 4.06Å; W264-F324 AromaticContact CZ3-CE2 3.82Å; W264-F324 HydrophobicContact CZ3-CE2 3.82Å; W264-F324 AromaticContact CZ3-CZ 3.94Å; W264-F324 HydrophobicContact CZ3-CZ 3.94Å
265	T	96.1	Very high	87.1	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-42.1	177	56.9	0	0	0	0	110.7	C37 F261 L262 R268 F269 A284 L287 A288	C37-T265 HydrophobicContact CB-CG2 4Å; F261-T265 WeakPolarHBondContact O-CG2 3.31Å; F261-T265 PolarHBondContact O-N 2.66Å; F261-T265 PolarHBondContact O-OG1 2.88Å; L262-T265 PolarHBondContact O-OG1 3.49Å; T265-R268 PolarHBondContact O-N 3.43Å; T265-F269 WeakPolarHBondContact O-CB 3.5Å; T265-F269 WeakPolarHBondContact O-CD2 3.45Å; T265-F269 PolarHBondContact O-N 3.04Å; T265-A284 PolarHBondContact OG1-O 3.33Å; T265-L287 HydrophobicContact CG2-CB 3.99Å; T265-A288 HydrophobicContact CG2-CB 4.16Å
266	Y	95.2	Very high	84.3	Confident	44 Å²	44	50.2 Å²	50.2	17%	0.173	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-42.2	174.3	-81.9	-58.8	0	0	0	113.3	P154 R177 L262 H263 R268 F269 S270 A284 P285	P154-Y266 HydrophobicContact CB-CD2 4.06Å; P154-Y266 HydrophobicContact CB-CE2 3.87Å; P154-Y266 HydrophobicContact CG-CD2 3.53Å; P154-Y266 HydrophobicContact CG-CE2 3.67Å; P154-Y266 HydrophobicContact CG-CG 4.43Å; R177-Y266 WeakPolarHBondContact CA-OH 3.36Å; R177-Y266 HydrophobicContact CB-CE2 4.43Å; R177-Y266 WeakPolarHBondContact CB-OH 3.49Å; R177-Y266 HydrophobicContact CG-CE1 4.31Å; R177-Y266 WeakPolarHBondContact CG-OH 3Å; L262-Y266 HydrophobicContact CD1-CD2 3.9Å; L262-Y266 HydrophobicContact CD1-CE2 3.44Å; L262-Y266 VanDerWaalsContact CD1-CE2 3.44Å; L262-Y266 HydrophobicContact CD2-CE2 4.43Å; L262-Y266 HydrophobicContact CG-CD2 3.89Å; L262-Y266 HydrophobicContact CG-CE2 3.72Å; L262-Y266 WeakPolarHBondContact O-CB 3.28Å; L262-Y266 WeakPolarHBondContact O-CD2 3.43Å; L262-Y266 PolarHBondContact O-N 3Å; L262-Y266 VanDerWaalsContact O-N 3.1Å; H263-Y266 PolarHBondContact O-N 3.14Å; Y266-R268 VanDerWaalsContact C-N 3.26Å; Y266-R268 PolarHBondContact O-N 3.08Å; Y266-F269 PolarHBondContact O-N 3.06Å; Y266-S270 VanDerWaalsContact O-CB 3.31Å; Y266-S270 WeakPolarHBondContact O-CB 3.29Å; Y266-S270 PolarHBondContact O-N 2.83Å; Y266-A284 HydrophobicContact CD1-CB 4Å; Y266-A284 HydrophobicContact CE1-CB 3.93Å; Y266-A284 HydrophobicContact CG-CB 4.39Å; Y266-P285 WeakPolarHBondContact OH-CG 3.33Å
267	D	92.9	Very high	81.7	Confident	52 Å²	52	55.2 Å²	55.2	28%	0.278	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-39.8	175.2	176.3	64.1	0	0	0	111.2	H263 W264 K271	H263-D267 WeakPolarHBondContact O-CB 3.49Å; H263-D267 PolarHBondContact O-N 3.36Å; W264-D267 PolarHBondContact O-N 2.67Å; D267-K271 WeakPolarHBondContact O-CD 3.44Å; D267-K271 WeakPolarHBondContact O-CG 3.32Å; D267-K271 PolarHBondContact O-N 2.62Å; D267-K271 VanDerWaalsContact OD1-CE 3.26Å; D267-K271 WeakPolarHBondContact OD1-CE 3.07Å; D267-K271 IonicContact OD1-NZ 2.87Å; D267-K271 PolarHBondContact OD1-NZ 2.98Å; D267-K271 IonicContact OD2-NZ 2.64Å; D267-K271 PolarHBondContact OD2-NZ 3.21Å
268	R	90.3	Very high	79.1	Confident	79 Å²	79	58.7 Å²	58.7	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-68.8	-45.2	176.6	-175.5	66.8	173.8	86.2	8.9	112.6	D36 C37 W264 T265 Y266 K271 Q272	D36-R268 WeakPolarHBondContact O-CD 3.42Å; D36-R268 PolarHBondContact O-NE 2.91Å; C37-R268 HydrophobicContact CB-CB 4.32Å; C37-R268 HydrophobicContact CB-CG 4.46Å; W264-R268 WeakPolarHBondContact O-CB 3.14Å; W264-R268 PolarHBondContact O-N 2.88Å; T265-R268 PolarHBondContact O-N 3.43Å; Y266-R268 VanDerWaalsContact C-N 3.26Å; Y266-R268 PolarHBondContact O-N 3.08Å; R268-K271 PolarHBondContact O-N 3.5Å; R268-Q272 VanDerWaalsContact NH1-NE2 3.13Å; R268-Q272 PolarHBondContact O-N 3.09Å
269	F	88.4	Confident	76.7	Confident	33 Å²	33	64.3 Å²	64.3	15%	0.145	35%	0.354	C	S	.	.	H	α-helix	trans	-70.6	-38.7	-176.9	-84.5	-126.4	0	0	0	111.7	T265 Y266 K271 Q272 E273 L277 A284 L287	T265-F269 WeakPolarHBondContact O-CB 3.5Å; T265-F269 WeakPolarHBondContact O-CD2 3.45Å; T265-F269 PolarHBondContact O-N 3.04Å; Y266-F269 PolarHBondContact O-N 3.06Å; F269-K271 PolarHBondContact O-N 3.21Å; F269-Q272 CarbonylContact O-C 3.58Å; F269-Q272 WeakPolarHBondContact O-CA 3.41Å; F269-Q272 WeakPolarHBondContact O-CB 2.91Å; F269-Q272 PolarHBondContact O-N 3.34Å; F269-E273 PolarHBondContact O-N 3.43Å; F269-E273 VanDerWaalsContact O-N 3.12Å; F269-L277 HydrophobicContact CE1-CD2 4.42Å; F269-A284 HydrophobicContact CD1-CB 4.1Å; F269-A284 HydrophobicContact CD2-CB 4.23Å; F269-A284 HydrophobicContact CE1-CB 4.27Å; F269-A284 HydrophobicContact CE2-CB 4.38Å; F269-A284 HydrophobicContact CG-CB 4.07Å; F269-A284 HydrophobicContact CZ-CB 4.41Å; F269-L287 HydrophobicContact CE2-CD1 3.78Å; F269-L287 HydrophobicContact CZ-CD1 3.68Å
270	S	85.9	Confident	74.7	Confident	85 Å²	85	70.4 Å²	70.4	59%	0.594	39%	0.386	S	S	*	.	H	α-helix	trans	-60.7	-32.3	174.2	178.4	0	0	0	0	112.2	Y266 Q272	Y266-S270 VanDerWaalsContact O-CB 3.31Å; Y266-S270 WeakPolarHBondContact O-CB 3.29Å; Y266-S270 PolarHBondContact O-N 2.83Å; S270-Q272 VanDerWaalsContact C-N 3.28Å; S270-Q272 PolarHBondContact O-N 3.3Å
271	K	78.1	Confident	73.9	Confident	115 Å²	115	72.2 Å²	72.2	50%	0.5	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.1	172.1	-68	166	-172.3	163.5	0	113.3	D267 R268 F269	D267-K271 WeakPolarHBondContact O-CD 3.44Å; D267-K271 WeakPolarHBondContact O-CG 3.32Å; D267-K271 PolarHBondContact O-N 2.62Å; D267-K271 VanDerWaalsContact OD1-CE 3.26Å; D267-K271 WeakPolarHBondContact OD1-CE 3.07Å; D267-K271 IonicContact OD1-NZ 2.87Å; D267-K271 PolarHBondContact OD1-NZ 2.98Å; D267-K271 IonicContact OD2-NZ 2.64Å; D267-K271 PolarHBondContact OD2-NZ 3.21Å; R268-K271 PolarHBondContact O-N 3.5Å; F269-K271 PolarHBondContact O-N 3.21Å
272	Q	67.5	Low	73.6	Confident	54 Å²	54	73.1 Å²	73.1	25%	0.252	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-14.1	-177.4	-76.7	-173.2	-52.4	0	0	115.3	R268 F269 S270 N274 T275	R268-Q272 VanDerWaalsContact NH1-NE2 3.13Å; R268-Q272 PolarHBondContact O-N 3.09Å; F269-Q272 CarbonylContact O-C 3.58Å; F269-Q272 WeakPolarHBondContact O-CA 3.41Å; F269-Q272 WeakPolarHBondContact O-CB 2.91Å; F269-Q272 PolarHBondContact O-N 3.34Å; S270-Q272 VanDerWaalsContact C-N 3.28Å; S270-Q272 PolarHBondContact O-N 3.3Å; Q272-N274 CarbonylContact O-C 3.46Å; Q272-N274 PolarHBondContact O-N 3.46Å; Q272-T275 WeakPolarHBondContact O-CA 3.45Å; Q272-T275 PolarHBondContact O-N 3.03Å; Q272-T275 PolarHBondContact O-OG1 3.4Å; Q272-T275 VanDerWaalsContact O-OG1 3.08Å
273	E	57.3	Low	73.5	Confident	157 Å²	157	74.5 Å²	74.5	73%	0.734	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-16.7	178.2	-75.6	-177.3	165.6	0	0	113.4	F269 T275	F269-E273 PolarHBondContact O-N 3.43Å; F269-E273 VanDerWaalsContact O-N 3.12Å; E273-T275 VanDerWaalsContact C-N 3.3Å; E273-T275 PolarHBondContact O-N 3.41Å
274	N	48.5	Very low	73.4	Confident	162 Å²	162	73.5 Å²	73.5	87%	0.866	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	1.2	168.9	-71.9	-19.3	0	0	0	115.7	Q272	Q272-N274 CarbonylContact O-C 3.46Å; Q272-N274 PolarHBondContact O-N 3.46Å
275	T	45.3	Very low	73.4	Confident	91 Å²	91	73.3 Å²	73.3	56%	0.558	41%	0.409	S	S	*	.	S	Bend	trans	-137.5	119.8	-175.8	1.9	0	0	0	0	108.7	Q272 E273 L277	Q272-T275 WeakPolarHBondContact O-CA 3.45Å; Q272-T275 PolarHBondContact O-N 3.03Å; Q272-T275 PolarHBondContact O-OG1 3.4Å; Q272-T275 VanDerWaalsContact O-OG1 3.08Å; E273-T275 VanDerWaalsContact C-N 3.3Å; E273-T275 PolarHBondContact O-N 3.41Å; T275-L277 PolarHBondContact O-N 3.19Å
276	T	38	Very low	73.5	Confident	145 Å²	145	73.2 Å²	73.2	89%	0.89	41%	0.408	S	S	*	.			trans	-41	109.2	-177.8	47.1	0	0	0	0	113.1	A278	T276-A278 PolarHBondContact O-N 2.98Å
277	L	44.1	Very low	73.6	Confident	104 Å²	104	71.2 Å²	71.2	55%	0.545	40%	0.4	S	S	.	.			trans	-64.2	117.4	170.4	-74.8	159.2	0	0	0	108.5	F269 T275	F269-L277 HydrophobicContact CE1-CD2 4.42Å; T275-L277 PolarHBondContact O-N 3.19Å
278	A	44.8	Very low	73.8	Confident	74 Å²	74	68.7 Å²	68.7	61%	0.612	39%	0.387	S	S	*	.			trans	-62.7	145.4	172.5	0	0	0	0	0	110.3	T276 D280 S281	T276-A278 PolarHBondContact O-N 2.98Å; A278-D280 PolarHBondContact O-N 3.13Å; A278-S281 PolarHBondContact O-N 3.33Å
279	S	49.5	Very low	74.2	Confident	117 Å²	117	65 Å²	65	82%	0.818	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-18.6	-177.3	58.1	0	0	0	0	114.9
280	D	55.3	Low	74.7	Confident	128 Å²	128	63.6 Å²	63.6	68%	0.684	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	22.3	-171.9	-59.7	-9.5	0	0	0	112.9	A278	A278-D280 PolarHBondContact O-N 3.13Å
281	S	83	Confident	75.2	Confident	39 Å²	39	59.6 Å²	59.6	27%	0.273	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-92.6	134.8	-177.4	-173.8	0	0	0	0	112.5	M33 A278	M33-S281 WeakPolarHBondContact CE-OG 3.26Å; A278-S281 PolarHBondContact O-N 3.33Å
282	Y	92.8	Very high	76.2	Confident	19 Å²	19	54.1 Å²	54.1	8%	0.075	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63	146.2	162.8	-65.1	-67.7	0	0	0	111	S26 M29 A30 M33 T234 I236 V286 L287	S26-Y282 WeakPolarHBondContact CB-OH 3.47Å; M29-Y282 HydrophobicContact CE-CD2 4.07Å; M29-Y282 HydrophobicContact CE-CE2 3.5Å; A30-Y282 HydrophobicContact CB-CD2 4.02Å; A30-Y282 HydrophobicContact CB-CE2 3.86Å; M33-Y282 HydrophobicContact SD-CD2 4.05Å; T234-Y282 HydrophobicContact CG2-CD1 4.3Å; I236-Y282 HydrophobicContact CB-CE1 3.98Å; I236-Y282 HydrophobicContact CD1-CE1 4.3Å; I236-Y282 HydrophobicContact CD1-CE2 4.09Å; I236-Y282 HydrophobicContact CG2-CE1 4.46Å; Y282-V286 HydrophobicContact CD1-CG1 3.66Å; Y282-V286 HydrophobicContact CE1-CG1 4.46Å; Y282-V286 HydrophobicContact CG-CG1 4.16Å; Y282-L287 HydrophobicContact CD2-CD2 4.11Å; Y282-L287 HydrophobicContact CG-CD2 4.25Å
283	S	94.6	Very high	77.7	Confident	30 Å²	30	51.6 Å²	51.6	21%	0.21	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-72.8	159.6	174.6	63.4	0	0	0	0	112	D231 V286 L287	D231-S283 VanDerWaalsContact OD2-CB 3.26Å; D231-S283 WeakPolarHBondContact OD2-CB 3.34Å; D231-S283 PolarHBondContact OD2-OG 3.24Å; S283-V286 PolarHBondContact O-N 2.88Å; S283-V286 VanDerWaalsContact O-N 3.11Å; S283-V286 WeakPolarHBondContact OG-CG2 3.34Å; S283-L287 PolarHBondContact O-N 2.61Å
284	A	95.7	Very high	79.5	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-55.6	-42.3	178.7	0	0	0	0	0	113.4	T265 Y266 F269 A288	T265-A284 PolarHBondContact OG1-O 3.33Å; Y266-A284 HydrophobicContact CD1-CB 4Å; Y266-A284 HydrophobicContact CE1-CB 3.93Å; Y266-A284 HydrophobicContact CG-CB 4.39Å; F269-A284 HydrophobicContact CD1-CB 4.1Å; F269-A284 HydrophobicContact CD2-CB 4.23Å; F269-A284 HydrophobicContact CE1-CB 4.27Å; F269-A284 HydrophobicContact CE2-CB 4.38Å; F269-A284 HydrophobicContact CG-CB 4.07Å; F269-A284 HydrophobicContact CZ-CB 4.41Å; A284-A288 WeakPolarHBondContact O-CB 3.48Å; A284-A288 PolarHBondContact O-N 3.42Å
285	P	97.9	Very high	81.9	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.032	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-42.9	171.6	-28.7	38.4	0	0	0	114.6	I179 T219 L262 Y266 A288 A289	I179-P285 HydrophobicContact CD1-CB 3.92Å; I179-P285 HydrophobicContact CG1-CB 3.9Å; T219-P285 HydrophobicContact CG2-CB 3.97Å; T219-P285 VanDerWaalsContact OG1-CB 3.23Å; T219-P285 WeakPolarHBondContact OG1-CB 3.32Å; L262-P285 HydrophobicContact CD1-CB 4.26Å; L262-P285 HydrophobicContact CD1-CG 4.26Å; Y266-P285 WeakPolarHBondContact OH-CG 3.33Å; P285-A288 PolarHBondContact O-N 3.11Å; P285-A289 WeakPolarHBondContact O-CB 3.4Å; P285-A289 PolarHBondContact O-N 2.82Å
286	V	97.7	Very high	84.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-43.9	-179	172.5	0	0	0	0	110.9	T219 I229 D231 I236 Y282 S283 A289 F290	T219-V286 HydrophobicContact CG2-CG2 4.22Å; I229-V286 HydrophobicContact CG2-CB 4.32Å; I229-V286 HydrophobicContact CG2-CG1 4.05Å; I229-V286 HydrophobicContact CG2-CG2 4.22Å; D231-V286 HydrophobicContact CB-CG2 3.68Å; I236-V286 HydrophobicContact CG2-CG1 3.68Å; Y282-V286 HydrophobicContact CD1-CG1 3.66Å; Y282-V286 HydrophobicContact CE1-CG1 4.46Å; Y282-V286 HydrophobicContact CG-CG1 4.16Å; S283-V286 PolarHBondContact O-N 2.88Å; S283-V286 VanDerWaalsContact O-N 3.11Å; S283-V286 WeakPolarHBondContact OG-CG2 3.34Å; V286-A289 PolarHBondContact O-N 2.72Å; V286-F290 VanDerWaalsContact O-CB 3.29Å; V286-F290 WeakPolarHBondContact O-CB 3.18Å; V286-F290 PolarHBondContact O-N 2.92Å
287	L	97	Very high	87.1	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-43.1	175.2	-69.7	175.5	0	0	0	111.9	A30 M33 V34 T265 F269 Y282 S283 F290 A291	A30-L287 HydrophobicContact CB-CD2 4.3Å; M33-L287 HydrophobicContact CB-CD1 4.06Å; M33-L287 HydrophobicContact CB-CD2 3.83Å; M33-L287 HydrophobicContact CE-CD1 3.87Å; M33-L287 HydrophobicContact CE-CD2 4.34Å; M33-L287 HydrophobicContact SD-CD2 4.17Å; V34-L287 HydrophobicContact CG2-CB 4.25Å; V34-L287 HydrophobicContact CG2-CD2 4.22Å; T265-L287 HydrophobicContact CG2-CB 3.99Å; F269-L287 HydrophobicContact CE2-CD1 3.78Å; F269-L287 HydrophobicContact CZ-CD1 3.68Å; Y282-L287 HydrophobicContact CD2-CD2 4.11Å; Y282-L287 HydrophobicContact CG-CD2 4.25Å; S283-L287 PolarHBondContact O-N 2.61Å; L287-F290 PolarHBondContact O-N 3.31Å; L287-A291 WeakPolarHBondContact O-CB 3.38Å; L287-A291 PolarHBondContact O-N 3.18Å
288	A	98.3	Very high	89.6	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-45.2	179.4	0	0	0	0	0	112.1	F261 L262 T265 A284 P285 A291 A292	F261-A288 HydrophobicContact CB-CB 3.8Å; L262-A288 HydrophobicContact CB-CB 4.03Å; L262-A288 HydrophobicContact CD1-CB 3.9Å; T265-A288 HydrophobicContact CG2-CB 4.16Å; A284-A288 WeakPolarHBondContact O-CB 3.48Å; A284-A288 PolarHBondContact O-N 3.42Å; P285-A288 PolarHBondContact O-N 3.11Å; A288-A291 PolarHBondContact O-N 2.95Å; A288-A292 WeakPolarHBondContact O-CB 3.45Å; A288-A292 PolarHBondContact O-N 3.1Å
289	A	98.5	Very high	92.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-46.8	175.6	0	0	0	0	0	112.3	V221 I229 P285 V286 A291 A292 C293	V221-A289 HydrophobicContact CG2-CB 3.39Å; I229-A289 HydrophobicContact CG1-CB 4.05Å; I229-A289 HydrophobicContact CG2-CB 3.77Å; P285-A289 WeakPolarHBondContact O-CB 3.4Å; P285-A289 PolarHBondContact O-N 2.82Å; V286-A289 PolarHBondContact O-N 2.72Å; A289-A291 PolarHBondContact O-N 3.43Å; A289-A292 PolarHBondContact O-N 2.88Å; A289-C293 WeakPolarHBondContact O-CB 3.4Å; A289-C293 PolarHBondContact O-N 2.82Å; A289-C293 PolarHBondContact O-SG 3.15Å; A289-C293 VanDerWaalsContact O-SG 3.34Å
290	F	97.8	Very high	94.3	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.018	7%	0.074	C	C	.	.	H	α-helix	trans	-59.6	-45.4	177.7	177.6	-100.2	0	0	0	112	N27 A30 V34 I236 C238 V286 L287 A292 C293 C294	N27-F290 HydrophobicContact CB-CE2 4.37Å; N27-F290 HydrophobicContact CB-CZ 3.98Å; A30-F290 HydrophobicContact CB-CD1 3.71Å; A30-F290 HydrophobicContact CB-CE1 3.65Å; A30-F290 HydrophobicContact CB-CG 4.3Å; A30-F290 HydrophobicContact CB-CZ 4.2Å; V34-F290 HydrophobicContact CG2-CD1 4.34Å; I236-F290 HydrophobicContact CD1-CD1 4.41Å; I236-F290 HydrophobicContact CD1-CD2 3.5Å; I236-F290 HydrophobicContact CD1-CE1 4.5Å; I236-F290 HydrophobicContact CD1-CE2 3.6Å; I236-F290 HydrophobicContact CD1-CG 3.94Å; I236-F290 HydrophobicContact CD1-CZ 4.12Å; I236-F290 HydrophobicContact CG1-CD2 3.81Å; I236-F290 HydrophobicContact CG1-CE2 3.93Å; I236-F290 HydrophobicContact CG2-CB 4.44Å; I236-F290 HydrophobicContact CG2-CD2 4.24Å; C238-F290 HydrophobicContact CB-CD2 4.24Å; C238-F290 HydrophobicContact CB-CE2 4.27Å; V286-F290 VanDerWaalsContact O-CB 3.29Å; V286-F290 WeakPolarHBondContact O-CB 3.18Å; V286-F290 PolarHBondContact O-N 2.92Å; L287-F290 PolarHBondContact O-N 3.31Å; F290-A292 PolarHBondContact O-N 3.44Å; F290-C293 PolarHBondContact O-N 3.31Å; F290-C294 PolarHBondContact O-N 3.45Å; F290-C294 PolarHBondContact O-SG 3.34Å
291	A	98	Very high	96.3	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-58.3	-47.7	176.5	0	0	0	0	0	112	V34 F261 L287 A288 A289 C294 L295 F328	V34-A291 HydrophobicContact CB-CB 4.31Å; V34-A291 HydrophobicContact CG1-CB 3.44Å; V34-A291 VanDerWaalsContact CG1-CB 3.44Å; V34-A291 HydrophobicContact CG2-CB 3.82Å; F261-A291 HydrophobicContact CB-CB 4.36Å; F261-A291 HydrophobicContact CD1-CB 3.63Å; F261-A291 HydrophobicContact CD2-CB 3.74Å; F261-A291 HydrophobicContact CE1-CB 3.75Å; F261-A291 HydrophobicContact CE2-CB 3.86Å; F261-A291 HydrophobicContact CG-CB 3.65Å; F261-A291 HydrophobicContact CZ-CB 3.87Å; L287-A291 WeakPolarHBondContact O-CB 3.38Å; L287-A291 PolarHBondContact O-N 3.18Å; A288-A291 PolarHBondContact O-N 2.95Å; A289-A291 PolarHBondContact O-N 3.43Å; A291-C294 WeakPolarHBondContact O-CB 3.28Å; A291-C294 PolarHBondContact O-N 3.35Å; A291-L295 WeakPolarHBondContact O-CB 3.38Å; A291-L295 PolarHBondContact O-N 2.59Å; A291-F328 HydrophobicContact CB-CE1 4.39Å; A291-F328 HydrophobicContact CB-CZ 4.23Å
292	A	98.5	Very high	96.9	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66.8	-41.5	-179.8	0	0	0	0	0	112.6	L254 A257 V258 F261 A288 A289 F290 C294 L295 I296	L254-A292 HydrophobicContact CD1-CB 3.77Å; A257-A292 HydrophobicContact CB-CB 3.81Å; V258-A292 HydrophobicContact CB-CB 4.08Å; V258-A292 HydrophobicContact CG2-CB 3.38Å; F261-A292 HydrophobicContact CD2-CB 4.05Å; A288-A292 WeakPolarHBondContact O-CB 3.45Å; A288-A292 PolarHBondContact O-N 3.1Å; A289-A292 PolarHBondContact O-N 2.88Å; F290-A292 PolarHBondContact O-N 3.44Å; A292-C294 VanDerWaalsContact C-N 3.31Å; A292-C294 PolarHBondContact O-N 2.77Å; A292-L295 PolarHBondContact O-N 3.1Å; A292-I296 WeakPolarHBondContact O-CG1 3.43Å; A292-I296 PolarHBondContact O-N 2.79Å
293	C	98	Very high	97.1	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.007	4%	0.035	C	C	.	.	H	α-helix	trans	-58.3	-45.4	172.5	-73.8	0	0	0	0	110.8	D227 C238 A289 F290 L295 R297	D227-C293 HydrophobicContact CB-CB 4.25Å; C238-C293 HydrophobicContact CB-CB 3.7Å; A289-C293 WeakPolarHBondContact O-CB 3.4Å; A289-C293 PolarHBondContact O-N 2.82Å; A289-C293 PolarHBondContact O-SG 3.15Å; A289-C293 VanDerWaalsContact O-SG 3.34Å; F290-C293 PolarHBondContact O-N 3.31Å; C293-L295 PolarHBondContact O-N 3.08Å; C293-R297 WeakPolarHBondContact O-CB 3.1Å; C293-R297 WeakPolarHBondContact O-CD 3.47Å; C293-R297 WeakPolarHBondContact O-CG 3.42Å; C293-R297 PolarHBondContact O-N 3.29Å; C293-R297 VanDerWaalsContact O-N 3.08Å
294	C	97	Very high	97.3	Very high	5 Å²	5	7.4 Å²	7.4	3%	0.034	4%	0.036	C	C	.	.	H	α-helix	trans	-59.8	-48.1	177	-69.9	0	0	0	0	111.6	C238 L240 F290 A291 A292 Q298 L327	C238-C294 VanDerWaalsContact SG-SG 3.61Å; L240-C294 HydrophobicContact CD1-CB 3.69Å; F290-C294 PolarHBondContact O-N 3.45Å; F290-C294 PolarHBondContact O-SG 3.34Å; A291-C294 WeakPolarHBondContact O-CB 3.28Å; A291-C294 PolarHBondContact O-N 3.35Å; A292-C294 VanDerWaalsContact C-N 3.31Å; A292-C294 PolarHBondContact O-N 2.77Å; C294-Q298 WeakPolarHBondContact O-CB 3.36Å; C294-Q298 PolarHBondContact O-N 3.34Å; C294-L327 HydrophobicContact CB-CD1 4.3Å; C294-L327 HydrophobicContact CB-CD2 4.43Å
295	L	97.8	Very high	97.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.4	-54.4	-180	-178.9	59.9	0	0	0	111.7	T76 A257 F261 A291 A292 C293 R297 Q298 C299 I320 A323 F324 L327 F328	T76-L295 HydrophobicContact CG2-CD2 4Å; A257-L295 HydrophobicContact CB-CD2 4.15Å; F261-L295 HydrophobicContact CE2-CB 4.49Å; F261-L295 HydrophobicContact CE2-CD2 3.96Å; F261-L295 HydrophobicContact CZ-CD2 4.45Å; A291-L295 WeakPolarHBondContact O-CB 3.38Å; A291-L295 PolarHBondContact O-N 2.59Å; A292-L295 PolarHBondContact O-N 3.1Å; C293-L295 PolarHBondContact O-N 3.08Å; L295-R297 PolarHBondContact O-N 2.81Å; L295-Q298 PolarHBondContact O-N 3.1Å; L295-C299 PolarHBondContact O-N 3.15Å; L295-C299 PolarHBondContact O-SG 3.04Å; L295-I320 HydrophobicContact CD2-CG2 4.47Å; L295-A323 HydrophobicContact CD1-CB 3.74Å; L295-F324 HydrophobicContact CD1-CB 3.94Å; L295-F324 HydrophobicContact CD1-CD2 4.41Å; L295-F324 HydrophobicContact CD2-CD2 4.29Å; L295-L327 HydrophobicContact CB-CD1 4.34Å; L295-L327 HydrophobicContact CD1-CD1 4.28Å; L295-F328 HydrophobicContact CB-CE2 4.23Å; L295-F328 HydrophobicContact CD1-CE2 4.36Å
296	I	97.5	Very high	97.3	Very high	13 Å²	13	18.1 Å²	18.1	7%	0.067	8%	0.083	C	C	.	.	H	α-helix	trans	-68.5	-35.7	-174.1	-62.7	-46	0	0	0	112.4	L253 L254 A257 A292 Q298 C299 N300 M316	L253-I296 HydrophobicContact CB-CD1 3.78Å; L253-I296 HydrophobicContact CB-CG1 4.36Å; L254-I296 HydrophobicContact CB-CG1 4.22Å; L254-I296 HydrophobicContact CD1-CG1 4.26Å; A257-I296 HydrophobicContact CB-CD1 4.22Å; A257-I296 HydrophobicContact CB-CG1 4.35Å; A292-I296 WeakPolarHBondContact O-CG1 3.43Å; A292-I296 PolarHBondContact O-N 2.79Å; I296-Q298 VanDerWaalsContact C-N 3.35Å; I296-C299 WeakPolarHBondContact O-CB 3.33Å; I296-C299 PolarHBondContact O-N 3.48Å; I296-N300 WeakPolarHBondContact O-CB 3.42Å; I296-N300 PolarHBondContact O-N 3.39Å; I296-M316 HydrophobicContact CG2-CE 3.82Å
297	R	96	Very high	97.3	Very high	12 Å²	12	20 Å²	20	5%	0.045	10%	0.096	C	C	.	.	H	α-helix	trans	-65.1	-41.1	174.1	-67.8	173.5	80.4	86.9	0.7	111.5	T225 D227 C238 L240 N242 C293 L295 N300 K301	T225-R297 VanDerWaalsContact O-CZ 3.29Å; T225-R297 PolarHBondContact O-NH1 3.38Å; T225-R297 PolarHBondContact O-NH2 2.95Å; D227-R297 IonicContact OD1-NH1 3.98Å; D227-R297 WeakPolarHBondContact OD2-CD 3.15Å; D227-R297 IonicContact OD2-CZ 3.73Å; D227-R297 IonicContact OD2-NH1 3.1Å; D227-R297 PolarHBondContact OD2-NH1 3.42Å; C238-R297 WeakPolarHBondContact SG-CD 3.48Å; L240-R297 VanDerWaalsContact O-CZ 3.23Å; L240-R297 PolarHBondContact O-NE 3.37Å; L240-R297 PolarHBondContact O-NH2 2.97Å; N242-R297 HydrophobicContact CB-CG 4.46Å; C293-R297 WeakPolarHBondContact O-CB 3.1Å; C293-R297 WeakPolarHBondContact O-CD 3.47Å; C293-R297 WeakPolarHBondContact O-CG 3.42Å; C293-R297 PolarHBondContact O-N 3.29Å; C293-R297 VanDerWaalsContact O-N 3.08Å; L295-R297 PolarHBondContact O-N 2.81Å; R297-N300 PolarHBondContact O-N 2.79Å; R297-K301 WeakPolarHBondContact O-CB 3.48Å; R297-K301 PolarHBondContact O-N 3.36Å
298	Q	96	Very high	97.2	Very high	10 Å²	10	23 Å²	23	5%	0.047	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-42.1	174.9	-175.6	65.4	2.2	0	0	111.5	C294 L295 I296 N300 K301 L302 A323 L327	C294-Q298 WeakPolarHBondContact O-CB 3.36Å; C294-Q298 PolarHBondContact O-N 3.34Å; L295-Q298 PolarHBondContact O-N 3.1Å; I296-Q298 VanDerWaalsContact C-N 3.35Å; Q298-N300 VanDerWaalsContact C-N 3.32Å; Q298-N300 PolarHBondContact O-N 3.04Å; Q298-K301 PolarHBondContact O-N 2.94Å; Q298-L302 HydrophobicContact CG-CD1 4.2Å; Q298-L302 HydrophobicContact CG-CG 4.48Å; Q298-L302 VanDerWaalsContact O-CG 3.31Å; Q298-L302 WeakPolarHBondContact O-CG 3.43Å; Q298-L302 PolarHBondContact O-N 3.41Å; Q298-A323 HydrophobicContact CB-CB 3.95Å; Q298-A323 HydrophobicContact CG-CB 3.64Å; Q298-L327 HydrophobicContact CB-CD1 3.89Å; Q298-L327 HydrophobicContact CG-CD1 4.25Å; Q298-L327 HydrophobicContact CG-CG 4.45Å
299	C	97.2	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.1	-44.9	172.4	-63.8	0	0	0	0	111.9	L295 I296 L302 A303 M316 E319 I320 A323	L295-C299 PolarHBondContact O-N 3.15Å; L295-C299 PolarHBondContact O-SG 3.04Å; I296-C299 WeakPolarHBondContact O-CB 3.33Å; I296-C299 PolarHBondContact O-N 3.48Å; C299-L302 PolarHBondContact O-N 3.4Å; C299-A303 VanDerWaalsContact O-CB 3.26Å; C299-A303 WeakPolarHBondContact O-CB 3.42Å; C299-A303 PolarHBondContact O-N 2.85Å; C299-M316 HydrophobicContact CB-CB 4.34Å; C299-E319 HydrophobicContact CB-CB 4.27Å; C299-I320 VanDerWaalsContact SG-CA 3.57Å; C299-A323 VanDerWaalsContact SG-CB 3.5Å
300	N	96.4	Very high	97	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-44.3	178.8	-165.2	5	0	0	0	111.6	N242 S243 R245 I296 R297 Q298 A303 F304 M316	N242-N300 VanDerWaalsContact OD1-CB 3.26Å; N242-N300 WeakPolarHBondContact OD1-CB 3.26Å; N242-N300 PolarHBondContact OD1-ND2 2.71Å; S243-N300 WeakPolarHBondContact CB-OD1 3.28Å; S243-N300 PolarHBondContact OG-ND2 2.77Å; S243-N300 VanDerWaalsContact OG-ND2 3.09Å; S243-N300 PolarHBondContact OG-OD1 3.46Å; R245-N300 PolarHBondContact O-ND2 3.19Å; I296-N300 WeakPolarHBondContact O-CB 3.42Å; I296-N300 PolarHBondContact O-N 3.39Å; R297-N300 PolarHBondContact O-N 2.79Å; Q298-N300 VanDerWaalsContact C-N 3.32Å; Q298-N300 PolarHBondContact O-N 3.04Å; N300-A303 PolarHBondContact O-N 3.2Å; N300-F304 WeakPolarHBondContact O-CB 3.38Å; N300-F304 PolarHBondContact O-N 3.46Å; N300-M316 HydrophobicContact CB-CE 3.56Å; N300-M316 HydrophobicContact CB-SD 3.98Å
301	K	95.7	Very high	97	Very high	28 Å²	28	37.7 Å²	37.7	12%	0.122	19%	0.186	C	C	.	.	H	α-helix	trans	-57.9	-51.2	176	179.3	-176.8	169.1	-170.7	0	111.2	R297 Q298 F304 Q305	R297-K301 WeakPolarHBondContact O-CB 3.48Å; R297-K301 PolarHBondContact O-N 3.36Å; Q298-K301 PolarHBondContact O-N 2.94Å; K301-F304 PolarHBondContact O-N 3.36Å; K301-Q305 VanDerWaalsContact O-CG 3.3Å; K301-Q305 WeakPolarHBondContact O-CG 3.02Å; K301-Q305 PolarHBondContact O-N 3.18Å
302	L	96.8	Very high	97	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-45.1	-179.6	-68.4	175.4	0	0	0	111.8	A11 Q298 C299 F304 Q305 K306 E319 A322 A323	A11-L302 HydrophobicContact CB-CD2 4.41Å; Q298-L302 HydrophobicContact CG-CD1 4.2Å; Q298-L302 HydrophobicContact CG-CG 4.48Å; Q298-L302 VanDerWaalsContact O-CG 3.31Å; Q298-L302 WeakPolarHBondContact O-CG 3.43Å; Q298-L302 PolarHBondContact O-N 3.41Å; C299-L302 PolarHBondContact O-N 3.4Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 2.77Å; L302-Q305 PolarHBondContact O-N 3.47Å; L302-K306 WeakPolarHBondContact O-CG 3.39Å; L302-K306 PolarHBondContact O-N 3.38Å; L302-E319 HydrophobicContact CB-CB 4.06Å; L302-E319 HydrophobicContact CB-CG 3.89Å; L302-E319 HydrophobicContact CD1-CB 4.37Å; L302-A322 HydrophobicContact CD1-CB 4.19Å; L302-A323 HydrophobicContact CD1-CB 4.11Å
303	A	97.4	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-40.5	178.7	0	0	0	0	0	111.3	C299 N300 K306 C307 T311 N315 M316 E319	C299-A303 VanDerWaalsContact O-CB 3.26Å; C299-A303 WeakPolarHBondContact O-CB 3.42Å; C299-A303 PolarHBondContact O-N 2.85Å; N300-A303 PolarHBondContact O-N 3.2Å; A303-K306 PolarHBondContact O-N 3.41Å; A303-C307 WeakPolarHBondContact O-CB 3.26Å; A303-C307 PolarHBondContact O-N 3.32Å; A303-T311 HydrophobicContact CB-CG2 3.77Å; A303-T311 PolarHBondContact O-OG1 3.37Å; A303-N315 HydrophobicContact CB-CB 4.13Å; A303-M316 HydrophobicContact CB-CG 3.84Å; A303-E319 HydrophobicContact CB-CG 3.92Å
304	F	97.4	Very high	96.9	Very high	52 Å²	52	43.6 Å²	43.6	23%	0.228	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-35.5	177.6	-172.2	-98.6	0	0	0	113.8	S243 P244 R245 N300 K301 L302 K306 S308 T311	S243-F304 VanDerWaalsContact CB-CG 3.47Å; P244-F304 HydrophobicContact CG-CE1 3.95Å; P244-F304 HydrophobicContact CG-CE2 4.07Å; P244-F304 HydrophobicContact CG-CZ 3.57Å; R245-F304 HydrophobicContact CB-CD2 3.72Å; R245-F304 HydrophobicContact CB-CE2 3.94Å; N300-F304 WeakPolarHBondContact O-CB 3.38Å; N300-F304 PolarHBondContact O-N 3.46Å; K301-F304 PolarHBondContact O-N 3.36Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 2.77Å; F304-K306 PolarHBondContact O-N 3.47Å; F304-S308 WeakPolarHBondContact CD2-O 3.32Å; F304-S308 VanDerWaalsContact CE2-C 3.44Å; F304-S308 WeakPolarHBondContact CE2-O 3.16Å; F304-S308 WeakPolarHBondContact O-CA 3.26Å; F304-S308 PolarHBondContact O-N 2.87Å; F304-T311 VanDerWaalsContact CA-OG1 3.27Å; F304-T311 WeakPolarHBondContact CA-OG1 3.18Å
305	Q	96.8	Very high	97	Very high	109 Å²	109	46 Å²	46	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-33.4	172.5	-75.3	172.3	-20.2	0	0	112	K301 L302	K301-Q305 VanDerWaalsContact O-CG 3.3Å; K301-Q305 WeakPolarHBondContact O-CG 3.02Å; K301-Q305 PolarHBondContact O-N 3.18Å; L302-Q305 PolarHBondContact O-N 3.47Å
306	K	97.4	Very high	97	Very high	127 Å²	127	46 Å²	46	55%	0.552	24%	0.241	S	C	*	.	H	α-helix	trans	-84.5	-41.2	179.8	-64.8	175.3	-172.3	177.5	0	113.1	L302 A303 F304 E319	L302-K306 WeakPolarHBondContact O-CG 3.39Å; L302-K306 PolarHBondContact O-N 3.38Å; A303-K306 PolarHBondContact O-N 3.41Å; F304-K306 PolarHBondContact O-N 3.47Å; K306-E319 WeakPolarHBondContact CD-OE1 3.2Å; K306-E319 WeakPolarHBondContact CE-OE1 3.21Å; K306-E319 IonicContact NZ-OE1 2.89Å; K306-E319 PolarHBondContact NZ-OE1 2.92Å; K306-E319 IonicContact NZ-OE2 3.89Å; K306-E319 PolarHBondContact NZ-OE2 3.48Å
307	C	97	Very high	97	Very high	40 Å²	40	46 Å²	46	27%	0.27	24%	0.242	S	C	.	.	H	α-helix	trans	-112.8	-12	-167.6	-60.6	0	0	0	0	113.9	A303 R309 S310 T311	A303-C307 WeakPolarHBondContact O-CB 3.26Å; A303-C307 PolarHBondContact O-N 3.32Å; C307-R309 PolarHBondContact O-N 2.95Å; C307-S310 WeakPolarHBondContact O-CA 3.16Å; C307-S310 VanDerWaalsContact O-CB 3.31Å; C307-S310 WeakPolarHBondContact O-CB 3.42Å; C307-S310 PolarHBondContact O-N 2.91Å; C307-T311 WeakPolarHBondContact CB-OG1 3.35Å
308	S	95.8	Very high	97.1	Very high	63 Å²	63	48 Å²	48	44%	0.441	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	48.5	-128.6	-177.4	-175.8	0	0	0	0	111.3	F304 S310 T311	F304-S308 WeakPolarHBondContact CD2-O 3.32Å; F304-S308 VanDerWaalsContact CE2-C 3.44Å; F304-S308 WeakPolarHBondContact CE2-O 3.16Å; F304-S308 WeakPolarHBondContact O-CA 3.26Å; F304-S308 PolarHBondContact O-N 2.87Å; S308-S310 PolarHBondContact O-N 3.3Å; S308-S310 VanDerWaalsContact O-N 3.12Å; S308-T311 WeakPolarHBondContact O-CB 3.42Å; S308-T311 PolarHBondContact O-N 2.76Å; S308-T311 PolarHBondContact O-OG1 3.04Å
309	R	96.2	Very high	97.2	Very high	218 Å²	218	48.5 Å²	48.5	82%	0.823	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-56.1	-26.9	177.5	-67.5	-177	66.2	-171.5	-0.1	113.9	C307 T311	C307-R309 PolarHBondContact O-N 2.95Å; R309-T311 PolarHBondContact O-N 3.09Å
310	S	97.1	Very high	97.3	Very high	94 Å²	94	48.5 Å²	48.5	66%	0.657	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-79.3	1.2	-179.9	-53.8	0	0	0	0	113.6	C307 S308 T312 N315	C307-S310 WeakPolarHBondContact O-CA 3.16Å; C307-S310 VanDerWaalsContact O-CB 3.31Å; C307-S310 WeakPolarHBondContact O-CB 3.42Å; C307-S310 PolarHBondContact O-N 2.91Å; S308-S310 PolarHBondContact O-N 3.3Å; S308-S310 VanDerWaalsContact O-N 3.12Å; S310-T312 PolarHBondContact O-N 2.93Å; S310-N315 PolarHBondContact O-OD1 3.33Å
311	T	97.5	Very high	97.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.301	C	S	.	.			trans	-62.3	129.4	179	-55.2	0	0	0	0	111.5	R245 A303 F304 C307 S308 R309 M316	R245-T311 PolarHBondContact NE-O 3.41Å; A303-T311 HydrophobicContact CB-CG2 3.77Å; A303-T311 PolarHBondContact O-OG1 3.37Å; F304-T311 VanDerWaalsContact CA-OG1 3.27Å; F304-T311 WeakPolarHBondContact CA-OG1 3.18Å; C307-T311 WeakPolarHBondContact CB-OG1 3.35Å; S308-T311 WeakPolarHBondContact O-CB 3.42Å; S308-T311 PolarHBondContact O-N 2.76Å; S308-T311 PolarHBondContact O-OG1 3.04Å; R309-T311 PolarHBondContact O-N 3.09Å; T311-M316 HydrophobicContact CG2-CG 4.44Å
312	T	97.5	Very high	97.4	Very high	61 Å²	61	55.6 Å²	55.6	37%	0.374	31%	0.306	S	S	.	.			trans	-124.2	167.2	174.8	67.5	0	0	0	0	110.9	S310 A314 N315 M316	S310-T312 PolarHBondContact O-N 2.93Å; T312-A314 PolarHBondContact O-N 3.04Å; T312-N315 PolarHBondContact N-OD1 3.31Å; T312-N315 WeakPolarHBondContact O-CB 3.45Å; T312-N315 PolarHBondContact O-N 3.33Å; T312-N315 PolarHBondContact OG1-N 2.97Å; T312-N315 PolarHBondContact OG1-OD1 2.75Å; T312-M316 PolarHBondContact O-N 3.49Å
313	T	97.4	Very high	97.5	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-35.1	176.6	-55.3	0	0	0	0	111.8	F68 C247 A248 G249 L253 N315 M316 V317	F68-T313 HydrophobicContact CB-CG2 4.46Å; F68-T313 HydrophobicContact CD1-CG2 3.52Å; F68-T313 HydrophobicContact CD2-CG2 4.01Å; F68-T313 HydrophobicContact CE1-CG2 3.61Å; F68-T313 HydrophobicContact CE2-CG2 4.08Å; F68-T313 HydrophobicContact CG-CG2 3.74Å; F68-T313 HydrophobicContact CZ-CG2 3.9Å; C247-T313 PolarHBondContact SG-N 3.33Å; C247-T313 PolarHBondContact SG-OG1 2.8Å; A248-T313 PolarHBondContact O-OG1 2.96Å; G249-T313 WeakPolarHBondContact O-CG2 3.4Å; L253-T313 HydrophobicContact CD1-CG2 3.56Å; L253-T313 HydrophobicContact CD2-CG2 4Å; L253-T313 HydrophobicContact CG-CG2 3.61Å; T313-N315 VanDerWaalsContact C-N 3.31Å; T313-N315 PolarHBondContact O-N 3.39Å; T313-M316 WeakPolarHBondContact O-CB 3.43Å; T313-M316 PolarHBondContact O-N 2.88Å; T313-M316 VanDerWaalsContact O-N 3.13Å; T313-V317 WeakPolarHBondContact O-CG2 3.3Å; T313-V317 PolarHBondContact O-N 3.38Å
314	A	97.4	Very high	97.5	Very high	61 Å²	61	56 Å²	56	50%	0.504	31%	0.307	S	S	.	.	H	α-helix	trans	-63.3	-35.3	173.6	0	0	0	0	0	112.7	T312 M316 V317 G318	T312-A314 PolarHBondContact O-N 3.04Å; A314-M316 VanDerWaalsContact C-N 3.34Å; A314-V317 PolarHBondContact O-N 3.41Å; A314-G318 PolarHBondContact O-N 3.4Å
315	N	97.9	Very high	97.4	Very high	55 Å²	55	57.2 Å²	57.2	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-40.9	173.1	-54.2	122.6	0	0	0	110.9	A303 S310 T312 T313 V317 G318 E319	A303-N315 HydrophobicContact CB-CB 4.13Å; S310-N315 PolarHBondContact O-OD1 3.33Å; T312-N315 PolarHBondContact N-OD1 3.31Å; T312-N315 WeakPolarHBondContact O-CB 3.45Å; T312-N315 PolarHBondContact O-N 3.33Å; T312-N315 PolarHBondContact OG1-N 2.97Å; T312-N315 PolarHBondContact OG1-OD1 2.75Å; T313-N315 VanDerWaalsContact C-N 3.31Å; T313-N315 PolarHBondContact O-N 3.39Å; N315-V317 VanDerWaalsContact C-N 3.34Å; N315-V317 PolarHBondContact O-N 2.78Å; N315-G318 PolarHBondContact O-N 2.92Å; N315-G318 VanDerWaalsContact O-N 3.09Å; N315-E319 PolarHBondContact O-N 3.29Å
316	M	98.3	Very high	97.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-38.2	176.4	-66.4	175	55.6	0	0	112.7	Q250 L253 I296 C299 N300 A303 T311 T312 T313 A314 G318 E319 I320	Q250-M316 HydrophobicContact CG-CE 3.99Å; Q250-M316 HydrophobicContact CG-SD 3.62Å; Q250-M316 PolarHBondContact NE2-SD 3.35Å; Q250-M316 VanDerWaalsContact NE2-SD 3.41Å; L253-M316 HydrophobicContact CD1-CB 3.7Å; L253-M316 HydrophobicContact CD1-CE 4.09Å; I296-M316 HydrophobicContact CG2-CE 3.82Å; C299-M316 HydrophobicContact CB-CB 4.34Å; N300-M316 HydrophobicContact CB-CE 3.56Å; N300-M316 HydrophobicContact CB-SD 3.98Å; A303-M316 HydrophobicContact CB-CG 3.84Å; T311-M316 HydrophobicContact CG2-CG 4.44Å; T312-M316 PolarHBondContact O-N 3.49Å; T313-M316 WeakPolarHBondContact O-CB 3.43Å; T313-M316 PolarHBondContact O-N 2.88Å; T313-M316 VanDerWaalsContact O-N 3.13Å; A314-M316 VanDerWaalsContact C-N 3.34Å; M316-G318 PolarHBondContact O-N 3.12Å; M316-E319 PolarHBondContact O-N 2.89Å; M316-I320 PolarHBondContact O-N 3.42Å
317	V	98.2	Very high	97.1	Very high	14 Å²	14	46.2 Å²	46.2	9%	0.085	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-37.5	172.9	173.1	0	0	0	0	111.1	F68 I71 K75 L253 T313 A314 N315 E319 I320	F68-V317 HydrophobicContact CD1-CG2 4.18Å; F68-V317 HydrophobicContact CE1-CG2 4.44Å; I71-V317 HydrophobicContact CG1-CG1 4.08Å; I71-V317 HydrophobicContact CG2-CG1 4.3Å; I71-V317 HydrophobicContact CG2-CG2 4.06Å; K75-V317 HydrophobicContact CD-CG1 3.39Å; K75-V317 VanDerWaalsContact CE-O 3.23Å; K75-V317 WeakPolarHBondContact CE-O 3.42Å; L253-V317 HydrophobicContact CD1-CG2 4.16Å; L253-V317 HydrophobicContact CD2-CG2 3.51Å; L253-V317 HydrophobicContact CG-CG2 4.5Å; T313-V317 WeakPolarHBondContact O-CG2 3.3Å; T313-V317 PolarHBondContact O-N 3.38Å; A314-V317 PolarHBondContact O-N 3.41Å; N315-V317 VanDerWaalsContact C-N 3.34Å; N315-V317 PolarHBondContact O-N 2.78Å; V317-E319 PolarHBondContact O-N 3.13Å; V317-I320 PolarHBondContact O-N 2.96Å
318	G	97.8	Very high	97	Very high	52 Å²	52	45.1 Å²	45.1	54%	0.536	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-21	176.1	0	0	0	0	0	114.5	A314 N315 M316	A314-G318 PolarHBondContact O-N 3.4Å; N315-G318 PolarHBondContact O-N 2.92Å; N315-G318 VanDerWaalsContact O-N 3.09Å; M316-G318 PolarHBondContact O-N 3.12Å
319	E	98.1	Very high	96.6	Very high	22 Å²	22	48.5 Å²	48.5	10%	0.103	26%	0.264	C	S	.	.	H	α-helix	trans	-96.5	-6.5	-177.8	-57.3	-54.1	145	0	0	113.9	C299 L302 A303 K306 N315 M316 V317 Q321 A322 A323	C299-E319 HydrophobicContact CB-CB 4.27Å; L302-E319 HydrophobicContact CB-CB 4.06Å; L302-E319 HydrophobicContact CB-CG 3.89Å; L302-E319 HydrophobicContact CD1-CB 4.37Å; A303-E319 HydrophobicContact CB-CG 3.92Å; K306-E319 WeakPolarHBondContact CD-OE1 3.2Å; K306-E319 WeakPolarHBondContact CE-OE1 3.21Å; K306-E319 IonicContact NZ-OE1 2.89Å; K306-E319 PolarHBondContact NZ-OE1 2.92Å; K306-E319 IonicContact NZ-OE2 3.89Å; K306-E319 PolarHBondContact NZ-OE2 3.48Å; N315-E319 PolarHBondContact O-N 3.29Å; M316-E319 PolarHBondContact O-N 2.89Å; V317-E319 PolarHBondContact O-N 3.13Å; E319-Q321 VanDerWaalsContact C-N 3.29Å; E319-Q321 PolarHBondContact O-N 3.34Å; E319-A322 PolarHBondContact O-N 3.07Å; E319-A323 WeakPolarHBondContact O-CB 3.27Å; E319-A323 PolarHBondContact O-N 2.71Å
320	I	98.5	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-54	-45.3	-176.6	-69	174.8	0	0	0	111.6	K75 L295 C299 M316 V317 A323 F324	K75-I320 HydrophobicContact CB-CB 4.22Å; K75-I320 HydrophobicContact CB-CD1 3.88Å; K75-I320 HydrophobicContact CB-CG2 3.92Å; K75-I320 HydrophobicContact CD-CD1 4.39Å; K75-I320 WeakPolarHBondContact O-CG2 3.47Å; L295-I320 HydrophobicContact CD2-CG2 4.47Å; C299-I320 VanDerWaalsContact SG-CA 3.57Å; M316-I320 PolarHBondContact O-N 3.42Å; V317-I320 PolarHBondContact O-N 2.96Å; I320-A323 PolarHBondContact O-N 3.32Å; I320-F324 WeakPolarHBondContact O-CB 3.47Å; I320-F324 PolarHBondContact O-N 2.71Å
321	Q	97.7	Very high	96.6	Very high	152 Å²	152	37.2 Å²	37.2	71%	0.71	21%	0.214	S	C	*	.	H	α-helix	trans	-61.4	-49.9	-180	-177.3	-175.5	12.8	0	0	112.1	E319 F324 H325	E319-Q321 VanDerWaalsContact C-N 3.29Å; E319-Q321 PolarHBondContact O-N 3.34Å; Q321-F324 PolarHBondContact O-N 2.78Å; Q321-H325 WeakPolarHBondContact O-CB 3.44Å; Q321-H325 PolarHBondContact O-N 3.4Å
322	A	97.8	Very high	96.6	Very high	28 Å²	28	39.2 Å²	39.2	23%	0.231	23%	0.226	C	C	.	.	H	α-helix	trans	-67.1	-39.4	-177.5	0	0	0	0	0	111.5	L302 E319 S326	L302-A322 HydrophobicContact CD1-CB 4.19Å; E319-A322 PolarHBondContact O-N 3.07Å; A322-S326 WeakPolarHBondContact O-CB 3.31Å; A322-S326 PolarHBondContact O-N 2.77Å
323	A	97.6	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-46.6	174.9	0	0	0	0	0	111.6	L295 Q298 C299 L302 E319 I320 S326 L327	L295-A323 HydrophobicContact CD1-CB 3.74Å; Q298-A323 HydrophobicContact CB-CB 3.95Å; Q298-A323 HydrophobicContact CG-CB 3.64Å; C299-A323 VanDerWaalsContact SG-CB 3.5Å; L302-A323 HydrophobicContact CD1-CB 4.11Å; E319-A323 WeakPolarHBondContact O-CB 3.27Å; E319-A323 PolarHBondContact O-N 2.71Å; I320-A323 PolarHBondContact O-N 3.32Å; A323-S326 PolarHBondContact O-N 3.33Å; A323-L327 WeakPolarHBondContact O-CB 3.41Å; A323-L327 WeakPolarHBondContact O-CD1 3.49Å; A323-L327 WeakPolarHBondContact O-CG 3.32Å; A323-L327 PolarHBondContact O-N 3.12Å
324	F	97.5	Very high	96.5	Very high	23 Å²	23	40.1 Å²	40.1	10%	0.101	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-51	179.3	-171.3	-82.1	0	0	0	111.4	V38 T76 F261 W264 L295 I320 Q321 S326 L327 F328 E329	V38-F324 HydrophobicContact CG1-CE1 4.18Å; V38-F324 HydrophobicContact CG1-CZ 3.69Å; V38-F324 HydrophobicContact CG2-CZ 4.34Å; T76-F324 HydrophobicContact CG2-CD2 4.44Å; T76-F324 HydrophobicContact CG2-CE2 4.23Å; F261-F324 HydrophobicContact CE1-CE2 4.26Å; F261-F324 HydrophobicContact CZ-CD2 4.34Å; F261-F324 AromaticContact CZ-CE2 3.86Å; F261-F324 HydrophobicContact CZ-CE2 3.86Å; W264-F324 AromaticContact CH2-CE2 4Å; W264-F324 HydrophobicContact CH2-CE2 4Å; W264-F324 HydrophobicContact CH2-CZ 4.06Å; W264-F324 AromaticContact CZ3-CE2 3.82Å; W264-F324 HydrophobicContact CZ3-CE2 3.82Å; W264-F324 AromaticContact CZ3-CZ 3.94Å; W264-F324 HydrophobicContact CZ3-CZ 3.94Å; L295-F324 HydrophobicContact CD1-CB 3.94Å; L295-F324 HydrophobicContact CD1-CD2 4.41Å; L295-F324 HydrophobicContact CD2-CD2 4.29Å; I320-F324 WeakPolarHBondContact O-CB 3.47Å; I320-F324 PolarHBondContact O-N 2.71Å; Q321-F324 PolarHBondContact O-N 2.78Å; F324-S326 VanDerWaalsContact C-N 3.34Å; F324-S326 PolarHBondContact O-N 3.06Å; F324-L327 PolarHBondContact O-N 3.32Å; F324-L327 VanDerWaalsContact O-N 3.16Å; F324-F328 HydrophobicContact CD1-CD2 4.32Å; F324-F328 AromaticContact CD2-CD2 3.65Å; F324-F328 HydrophobicContact CD2-CD2 3.65Å; F324-F328 HydrophobicContact CD2-CE2 4.1Å; F324-F328 HydrophobicContact CE1-CB 4.25Å; F324-F328 HydrophobicContact CE1-CD2 4.45Å; F324-F328 AromaticContact CE2-CD2 3.81Å; F324-F328 HydrophobicContact CE2-CD2 3.81Å; F324-F328 HydrophobicContact CE2-CE2 4.4Å; F324-F328 AromaticContact CG-CD2 3.92Å; F324-F328 HydrophobicContact CG-CD2 3.92Å; F324-F328 HydrophobicContact CZ-CB 4.41Å; F324-F328 HydrophobicContact CZ-CD2 4.22Å; F324-F328 WeakPolarHBondContact O-CD2 3.34Å; F324-F328 PolarHBondContact O-N 3.45Å; F324-E329 HydrophobicContact CE1-CG 4.44Å
325	H	95.8	Very high	96.4	Very high	77 Å²	77	38.7 Å²	38.7	36%	0.356	21%	0.21	S	C	.	.	H	α-helix	trans	-56.7	-48.4	177.4	-176.3	71.1	0	0	0	111.1	Q321 L327 E329	Q321-H325 WeakPolarHBondContact O-CB 3.44Å; Q321-H325 PolarHBondContact O-N 3.4Å; H325-L327 VanDerWaalsContact C-N 3.26Å; H325-L327 PolarHBondContact O-N 2.68Å; H325-E329 IonicContact CE1-OE2 2.66Å; H325-E329 IonicContact CG-OE2 3.77Å; H325-E329 IonicContact ND1-OE2 3.04Å; H325-E329 PolarHBondContact ND1-OE2 3.26Å; H325-E329 CarbonylContact O-C 3.53Å; H325-E329 PolarHBondContact O-N 3.18Å; H325-E329 VanDerWaalsContact O-N 3.11Å
326	S	94.3	Very high	96.3	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.028	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-30	179.8	179.1	0	0	0	0	114.2	A11 F15 A322 A323 F324	A11-S326 PolarHBondContact O-OG 2.93Å; F15-S326 WeakPolarHBondContact CD1-O 3.26Å; F15-S326 WeakPolarHBondContact CG-O 3.48Å; A322-S326 WeakPolarHBondContact O-CB 3.31Å; A322-S326 PolarHBondContact O-N 2.77Å; A323-S326 PolarHBondContact O-N 3.33Å; F324-S326 VanDerWaalsContact C-N 3.34Å; F324-S326 PolarHBondContact O-N 3.06Å
327	L	94.2	Very high	96.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-91.6	-42.8	-174.1	-72.5	166.8	0	0	0	111.8	F15 R35 L240 C294 L295 Q298 A323 F324 H325	F15-L327 HydrophobicContact CD2-CD2 3.51Å; F15-L327 HydrophobicContact CE1-CD2 4.45Å; F15-L327 HydrophobicContact CE2-CD2 3.12Å; F15-L327 HydrophobicContact CE2-CG 4.4Å; F15-L327 HydrophobicContact CG-CD2 4.34Å; F15-L327 HydrophobicContact CZ-CD2 3.65Å; R35-L327 PolarHBondContact NE-O 2.9Å; R35-L327 PolarHBondContact NH2-O 2.97Å; L240-L327 HydrophobicContact CD1-CD2 3.95Å; C294-L327 HydrophobicContact CB-CD1 4.3Å; C294-L327 HydrophobicContact CB-CD2 4.43Å; L295-L327 HydrophobicContact CB-CD1 4.34Å; L295-L327 HydrophobicContact CD1-CD1 4.28Å; Q298-L327 HydrophobicContact CB-CD1 3.89Å; Q298-L327 HydrophobicContact CG-CD1 4.25Å; Q298-L327 HydrophobicContact CG-CG 4.45Å; A323-L327 WeakPolarHBondContact O-CB 3.41Å; A323-L327 WeakPolarHBondContact O-CD1 3.49Å; A323-L327 WeakPolarHBondContact O-CG 3.32Å; A323-L327 PolarHBondContact O-N 3.12Å; F324-L327 PolarHBondContact O-N 3.32Å; F324-L327 VanDerWaalsContact O-N 3.16Å; H325-L327 VanDerWaalsContact C-N 3.26Å; H325-L327 PolarHBondContact O-N 2.68Å
328	F	94.4	Very high	96	Very high	17 Å²	17	42.5 Å²	42.5	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-118.5	-11	-163.3	-50.6	-59.8	0	0	0	114.7	V34 R35 V38 F261 A291 L295 F324	V34-F328 HydrophobicContact CG1-CD1 3.71Å; V34-F328 HydrophobicContact CG1-CE1 3.48Å; V34-F328 VanDerWaalsContact CG1-CE1 3.48Å; V34-F328 HydrophobicContact CG1-CZ 4.36Å; R35-F328 HydrophobicContact CG-CD1 4.46Å; V38-F328 HydrophobicContact CG2-CB 4.21Å; V38-F328 HydrophobicContact CG2-CG 4.43Å; F261-F328 HydrophobicContact CE1-CE2 4.29Å; F261-F328 HydrophobicContact CE1-CZ 4.38Å; F261-F328 HydrophobicContact CE2-CE2 4.35Å; F261-F328 HydrophobicContact CZ-CD2 4.05Å; F261-F328 AromaticContact CZ-CE2 3.52Å; F261-F328 HydrophobicContact CZ-CE2 3.52Å; F261-F328 AromaticContact CZ-CZ 3.8Å; F261-F328 HydrophobicContact CZ-CZ 3.8Å; A291-F328 HydrophobicContact CB-CE1 4.39Å; A291-F328 HydrophobicContact CB-CZ 4.23Å; L295-F328 HydrophobicContact CB-CE2 4.23Å; L295-F328 HydrophobicContact CD1-CE2 4.36Å; F324-F328 HydrophobicContact CD1-CD2 4.32Å; F324-F328 AromaticContact CD2-CD2 3.65Å; F324-F328 HydrophobicContact CD2-CD2 3.65Å; F324-F328 HydrophobicContact CD2-CE2 4.1Å; F324-F328 HydrophobicContact CE1-CB 4.25Å; F324-F328 HydrophobicContact CE1-CD2 4.45Å; F324-F328 AromaticContact CE2-CD2 3.81Å; F324-F328 HydrophobicContact CE2-CD2 3.81Å; F324-F328 HydrophobicContact CE2-CE2 4.4Å; F324-F328 AromaticContact CG-CD2 3.92Å; F324-F328 HydrophobicContact CG-CD2 3.92Å; F324-F328 HydrophobicContact CZ-CB 4.41Å; F324-F328 HydrophobicContact CZ-CD2 4.22Å; F324-F328 WeakPolarHBondContact O-CD2 3.34Å; F324-F328 PolarHBondContact O-N 3.45Å
329	E	88.2	Confident	95.8	Very high	133 Å²	133	41.6 Å²	41.6	62%	0.621	20%	0.203	S	C	*	.			trans	-116.2	0	175.5	-59.5	-176.2	159.9	0	0	111.4	F324 H325	F324-E329 HydrophobicContact CE1-CG 4.44Å; H325-E329 IonicContact CE1-OE2 2.66Å; H325-E329 IonicContact CG-OE2 3.77Å; H325-E329 IonicContact ND1-OE2 3.04Å; H325-E329 PolarHBondContact ND1-OE2 3.26Å; H325-E329 CarbonylContact O-C 3.53Å; H325-E329 PolarHBondContact O-N 3.18Å; H325-E329 VanDerWaalsContact O-N 3.11Å

Retrieved 329 of 329 residues in 167.1 ms (Link to these results)

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