A0A060XZQ7_ONCMY Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A060XZQ7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene c21h11orf68, Length 254 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	36	Very low	248 Å²	248	163.4 Å²	163.4	100%	1.222	85%	0.854	S	S	*	*				0	84.4	0	-102	168.3	167.6	0	0	104.5
2	E	35	Very low	36.2	Very low	184 Å²	184	167 Å²	167	86%	0.86	86%	0.858	S	S	*	*			trans	-110.6	120.6	-178.3	-72.8	175.7	156.9	0	0	105.6	V4	E2-V4 PolarHBondContact O-N 3.33Å
3	D	34.8	Very low	36.1	Very low	165 Å²	165	168.6 Å²	168.6	88%	0.882	86%	0.86	S	S	*	*			trans	-69.1	118.9	179.4	-75	-48.1	0	0	0	109.6	Q5	D3-Q5 PolarHBondContact O-N 2.96Å
4	V	37.2	Very low	36	Very low	127 Å²	127	161.3 Å²	161.3	77%	0.77	85%	0.847	S	S	*	*			trans	-78.1	111.9	173.7	175.4	0	0	0	0	107.9	E2 V6	E2-V4 PolarHBondContact O-N 3.33Å; V4-V6 PolarHBondContact O-N 3.25Å
5	Q	36.8	Very low	36.1	Very low	189 Å²	189	156.5 Å²	156.5	88%	0.883	84%	0.839	S	S	*	*			trans	-70.8	117.6	166.4	-72.8	179.1	-29.3	0	0	108.7	D3	D3-Q5 PolarHBondContact O-N 2.96Å
6	V	36.4	Very low	36.1	Very low	122 Å²	122	157.9 Å²	157.9	74%	0.739	84%	0.839	S	S	*	*			trans	-86.7	109.9	171.5	-178	0	0	0	0	106.8	V4 E8	V4-V6 PolarHBondContact O-N 3.25Å; V6-E8 PolarHBondContact O-N 3.36Å
7	E	35.2	Very low	36.5	Very low	189 Å²	189	156.1 Å²	156.1	88%	0.883	84%	0.835	S	S	*	*			trans	-71.9	114.4	165.5	-75.5	-173.5	147.3	0	0	108.2	D9	E7-D9 PolarHBondContact O-N 3.17Å
8	E	35	Very low	36.5	Very low	178 Å²	178	157.3 Å²	157.3	83%	0.832	84%	0.835	S	S	*	*			trans	-79.6	109.8	169.3	-74	-173.2	154.5	0	0	109.1	V6 V10	V6-E8 PolarHBondContact O-N 3.36Å; E8-V10 PolarHBondContact O-N 3.4Å
9	D	33.1	Very low	36.8	Very low	163 Å²	163	156.6 Å²	156.6	87%	0.872	83%	0.832	S	S	*	*			trans	-62.3	108.5	169.6	-104.7	-34.7	0	0	0	109.9	E7 P11	E7-D9 PolarHBondContact O-N 3.17Å; D9-P11 WeakPolarHBondContact O-CD 3.4Å
10	V	37.9	Very low	37.7	Very low	123 Å²	123	154.6 Å²	154.6	75%	0.745	83%	0.828	S	S	*	*			trans	-79	119	171	179.4	0	0	0	0	108.6	E8 K12	E8-V10 PolarHBondContact O-N 3.4Å; V10-K12 PolarHBondContact O-N 3.15Å; V10-K12 VanDerWaalsContact O-N 3.16Å
11	P	33.3	Very low	38.8	Very low	109 Å²	109	155.7 Å²	155.7	71%	0.708	83%	0.828	S	S	*	*			trans	-67.1	118.1	175.7	-15.6	29.5	0	0	0	110	D9 E13	D9-P11 WeakPolarHBondContact O-CD 3.4Å; P11-E13 VanDerWaalsContact C-N 3.33Å; P11-E13 PolarHBondContact O-N 3.12Å; P11-E13 VanDerWaalsContact O-N 3.08Å
12	K	38.9	Very low	40.2	Very low	207 Å²	207	148.9 Å²	148.9	90%	0.9	80%	0.802	S	S	*	*			trans	-74.6	86.1	165.1	-77.4	-176.8	176.6	176.2	0	109.1	V10 G14	V10-K12 PolarHBondContact O-N 3.15Å; V10-K12 VanDerWaalsContact O-N 3.16Å; K12-G14 VanDerWaalsContact C-N 3.27Å; K12-G14 PolarHBondContact O-N 2.8Å; K12-G14 VanDerWaalsContact O-N 3.1Å
13	E	34.2	Very low	42.3	Very low	188 Å²	188	142.3 Å²	142.3	88%	0.879	77%	0.773	S	S	*	*			trans	-80.7	80.6	163.4	-85.4	-176	159	0	0	109.8	P11	P11-E13 VanDerWaalsContact C-N 3.33Å; P11-E13 PolarHBondContact O-N 3.12Å; P11-E13 VanDerWaalsContact O-N 3.08Å
14	G	35.4	Very low	45	Very low	66 Å²	66	137 Å²	137	68%	0.68	75%	0.748	S	S	*	*			trans	-96.8	76.4	154.1	0	0	0	0	0	107.8	K12 E16	K12-G14 VanDerWaalsContact C-N 3.27Å; K12-G14 PolarHBondContact O-N 2.8Å; K12-G14 VanDerWaalsContact O-N 3.1Å; G14-E16 PolarHBondContact O-N 3.48Å
15	A	37.6	Very low	47.6	Very low	89 Å²	89	131 Å²	131	74%	0.736	71%	0.712	S	S	*	*			trans	-67.6	102.1	165.2	0	0	0	0	0	106.7	V17	A15-V17 PolarHBondContact O-N 3.39Å
16	E	36.6	Very low	50.3	Low	179 Å²	179	127.3 Å²	127.3	84%	0.836	70%	0.695	S	S	*	*			trans	-54.1	112	164.3	-68.3	-176	168	0	0	106.6	G14 E18	G14-E16 PolarHBondContact O-N 3.48Å; E16-E18 PolarHBondContact O-N 2.82Å
17	V	41.4	Very low	53	Low	127 Å²	127	123.1 Å²	123.1	77%	0.77	67%	0.671	S	S	*	*			trans	-65.8	92.1	168.4	-177.5	0	0	0	0	104.7	A15 N19	A15-V17 PolarHBondContact O-N 3.39Å; V17-N19 VanDerWaalsContact C-N 3.3Å; V17-N19 PolarHBondContact O-N 3.31Å
18	E	37.9	Very low	55.7	Low	178 Å²	178	117.4 Å²	117.4	83%	0.832	64%	0.642	S	S	*	*			trans	-54.3	101.6	167.9	-80.5	-173.2	160.5	0	0	106.3	E16 P20	E16-E18 PolarHBondContact O-N 2.82Å; E18-P20 WeakPolarHBondContact O-CD 3.35Å; E18-P20 VanDerWaalsContact O-N 3.14Å
19	N	42.3	Very low	58.5	Low	145 Å²	145	109.7 Å²	109.7	78%	0.775	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-60.8	119.1	169.9	-98.9	-41.7	0	0	0	105.8	V17 E21	V17-N19 VanDerWaalsContact C-N 3.3Å; V17-N19 PolarHBondContact O-N 3.31Å; N19-E21 PolarHBondContact O-N 3.3Å
20	P	53.9	Low	61.4	Low	115 Å²	115	104.4 Å²	104.4	75%	0.747	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-56	134.7	-179.5	21.2	-31.1	0	0	0	109	E18	E18-P20 WeakPolarHBondContact O-CD 3.35Å; E18-P20 VanDerWaalsContact O-N 3.14Å
21	E	61.3	Low	64	Low	178 Å²	178	102.3 Å²	102.3	83%	0.832	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-51.5	139	-179.5	-74.6	-165.1	156.1	0	0	110.4	N19 L23	N19-E21 PolarHBondContact O-N 3.3Å; E21-L23 PolarHBondContact O-N 3.18Å; E21-L23 VanDerWaalsContact O-N 3.16Å
22	P	69.8	Low	66.9	Low	105 Å²	105	98.3 Å²	98.3	68%	0.682	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-58.4	124.3	178.4	-19.6	29.9	0	0	0	110.2	S24 N219	P22-S24 PolarHBondContact O-N 2.73Å; P22-N219 WeakPolarHBondContact CB-ND2 3.43Å
23	L	79.7	Confident	69.5	Low	47 Å²	47	94.1 Å²	94.1	25%	0.246	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-53	142.7	177	-58.8	170.5	0	0	0	111.5	E21 Y28 N219	E21-L23 PolarHBondContact O-N 3.18Å; E21-L23 VanDerWaalsContact O-N 3.16Å; L23-Y28 HydrophobicContact CB-CD2 4.18Å; L23-Y28 HydrophobicContact CB-CE1 4.5Å; L23-Y28 HydrophobicContact CB-CE2 3.62Å; L23-Y28 HydrophobicContact CD1-CD1 4.39Å; L23-Y28 HydrophobicContact CD1-CE1 3.78Å; L23-Y28 HydrophobicContact CD1-CE2 4.38Å; L23-N219 PolarHBondContact O-ND2 3.43Å
24	S	91	Very high	72.3	Confident	52 Å²	52	87.4 Å²	87.4	36%	0.364	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-71.6	159.6	174.2	71.1	0	0	0	0	111.7	P22 E26 S27 Y28	P22-S24 PolarHBondContact O-N 2.73Å; S24-E26 WeakPolarHBondContact CB-OE2 3.4Å; S24-E26 PolarHBondContact O-N 2.83Å; S24-E26 PolarHBondContact OG-OE2 3.01Å; S24-S27 PolarHBondContact O-N 2.92Å; S24-S27 PolarHBondContact OG-N 3.01Å; S24-S27 VanDerWaalsContact OG-N 3.14Å; S24-Y28 VanDerWaalsContact O-CD2 3.23Å; S24-Y28 WeakPolarHBondContact O-CD2 3.36Å; S24-Y28 PolarHBondContact O-N 3.37Å
25	A	92.8	Very high	75.1	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.008	48%	0.477	C	S	.	.	H	α-helix	trans	-59.3	-35.6	174.3	0	0	0	0	0	111.9	Y28 A29 R218 N220	A25-Y28 PolarHBondContact O-N 3.2Å; A25-A29 WeakPolarHBondContact O-CB 3.43Å; A25-A29 PolarHBondContact O-N 3.39Å; A25-R218 WeakPolarHBondContact CA-O 3.4Å; A25-R218 WeakPolarHBondContact CB-O 3.37Å; A25-R218 PolarHBondContact N-O 2.73Å; A25-N220 HydrophobicContact CB-CB 3.94Å
26	E	93	Very high	77.8	Confident	112 Å²	112	83.9 Å²	83.9	52%	0.523	46%	0.46	S	S	.	.	H	α-helix	trans	-64.9	-38.8	177.4	-63.9	74.6	-164.5	0	0	111.8	S24 A29 A30	S24-E26 WeakPolarHBondContact CB-OE2 3.4Å; S24-E26 PolarHBondContact O-N 2.83Å; S24-E26 PolarHBondContact OG-OE2 3.01Å; E26-A29 PolarHBondContact O-N 3Å; E26-A30 WeakPolarHBondContact O-CB 3.41Å; E26-A30 PolarHBondContact O-N 3.22Å
27	S	92.5	Very high	80.5	Confident	34 Å²	34	83 Å²	83	24%	0.238	46%	0.458	C	S	.	.	H	α-helix	trans	-63.8	-46.8	175.1	170.3	0	0	0	0	111.4	S24 A29 A30 E31	S24-S27 PolarHBondContact O-N 2.92Å; S24-S27 PolarHBondContact OG-N 3.01Å; S24-S27 VanDerWaalsContact OG-N 3.14Å; S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 3.46Å; S27-A30 PolarHBondContact O-N 3.38Å; S27-E31 WeakPolarHBondContact O-CG 3.3Å; S27-E31 PolarHBondContact O-N 3.05Å
28	Y	92.8	Very high	83.2	Confident	70 Å²	70	79.2 Å²	79.2	28%	0.275	43%	0.433	S	S	.	.	H	α-helix	trans	-61.4	-39.1	174.5	-72.8	-67.8	0	0	0	112.6	L23 S24 A25 S32 Y217 R218	L23-Y28 HydrophobicContact CB-CD2 4.18Å; L23-Y28 HydrophobicContact CB-CE1 4.5Å; L23-Y28 HydrophobicContact CB-CE2 3.62Å; L23-Y28 HydrophobicContact CD1-CD1 4.39Å; L23-Y28 HydrophobicContact CD1-CE1 3.78Å; L23-Y28 HydrophobicContact CD1-CE2 4.38Å; S24-Y28 VanDerWaalsContact O-CD2 3.23Å; S24-Y28 WeakPolarHBondContact O-CD2 3.36Å; S24-Y28 PolarHBondContact O-N 3.37Å; A25-Y28 PolarHBondContact O-N 3.2Å; Y28-S32 WeakPolarHBondContact O-CB 3.34Å; Y28-S32 PolarHBondContact O-N 3.23Å; Y28-Y217 HydrophobicContact CG-CD1 4.3Å; Y28-Y217 HydrophobicContact CG-CG 4.46Å; Y28-R218 HydrophobicContact CE2-CB 4.22Å
29	A	93.6	Very high	86	Confident	15 Å²	15	74.8 Å²	74.8	12%	0.124	42%	0.42	C	S	.	.	H	α-helix	trans	-64	-45.2	176.3	0	0	0	0	0	111.4	A25 E26 S27 S32 M33 Y217	A25-A29 WeakPolarHBondContact O-CB 3.43Å; A25-A29 PolarHBondContact O-N 3.39Å; E26-A29 PolarHBondContact O-N 3Å; S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 3.46Å; A29-S32 PolarHBondContact O-N 3.32Å; A29-M33 WeakPolarHBondContact O-CG 3.41Å; A29-M33 PolarHBondContact O-N 3.44Å; A29-Y217 VanDerWaalsContact CA-CE2 3.45Å; A29-Y217 HydrophobicContact CB-CD2 3.84Å; A29-Y217 HydrophobicContact CB-CE2 3.61Å
30	A	94.1	Very high	88.6	Confident	52 Å²	52	71.7 Å²	71.7	43%	0.43	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-44.8	177.5	0	0	0	0	0	112.1	E26 S27 M33 A34	E26-A30 WeakPolarHBondContact O-CB 3.41Å; E26-A30 PolarHBondContact O-N 3.22Å; S27-A30 PolarHBondContact O-N 3.38Å; A30-M33 PolarHBondContact O-N 3.4Å; A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 2.96Å
31	E	92.4	Very high	90.7	Very high	79 Å²	79	68.1 Å²	68.1	37%	0.369	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-43.2	176.1	-72.8	177.6	-175.1	0	0	112.1	S27 A34 A35 R171	S27-E31 WeakPolarHBondContact O-CG 3.3Å; S27-E31 PolarHBondContact O-N 3.05Å; E31-A34 PolarHBondContact O-N 3.43Å; E31-A35 PolarHBondContact O-N 2.94Å; E31-R171 IonicContact OE1-CZ 3.92Å; E31-R171 IonicContact OE1-NH1 3.11Å; E31-R171 PolarHBondContact OE1-NH1 2.95Å; E31-R171 IonicContact OE1-NH2 3.63Å; E31-R171 PolarHBondContact OE1-NH2 3.29Å; E31-R171 IonicContact OE2-CZ 2.76Å; E31-R171 IonicContact OE2-NH1 2.91Å; E31-R171 PolarHBondContact OE2-NH1 2.66Å
32	S	92.9	Very high	92.5	Very high	25 Å²	25	63.4 Å²	63.4	18%	0.175	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-43.9	176.1	-173.9	0	0	0	0	111.6	Y28 A29 A35 D36 Y217	Y28-S32 WeakPolarHBondContact O-CB 3.34Å; Y28-S32 PolarHBondContact O-N 3.23Å; A29-S32 PolarHBondContact O-N 3.32Å; S32-A35 PolarHBondContact O-N 3.49Å; S32-D36 PolarHBondContact O-N 3.05Å; S32-D36 VanDerWaalsContact O-N 3.08Å; S32-Y217 VanDerWaalsContact CB-OH 3.23Å; S32-Y217 WeakPolarHBondContact CB-OH 3.32Å; S32-Y217 PolarHBondContact OG-OH 3.25Å
33	M	93.4	Very high	93.9	Very high	120 Å²	120	58.4 Å²	58.4	59%	0.591	32%	0.319	S	S	*	.	H	α-helix	trans	-65.1	-42.3	177.3	-71.9	-173.8	-65.4	0	0	111.5	A29 A30 A35 D36 M37	A29-M33 WeakPolarHBondContact O-CG 3.41Å; A29-M33 PolarHBondContact O-N 3.44Å; A30-M33 PolarHBondContact O-N 3.4Å; M33-A35 VanDerWaalsContact C-N 3.35Å; M33-A35 PolarHBondContact O-N 3.22Å; M33-D36 PolarHBondContact O-N 3.46Å; M33-M37 WeakPolarHBondContact O-CG 3.38Å; M33-M37 PolarHBondContact O-N 3.09Å
34	A	94.1	Very high	94.7	Very high	46 Å²	46	56.7 Å²	56.7	38%	0.38	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-42.8	177.1	0	0	0	0	0	111.8	A30 E31 D36 M37 D38 R67	A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 2.96Å; E31-A34 PolarHBondContact O-N 3.43Å; A34-D36 VanDerWaalsContact C-N 3.31Å; A34-D36 PolarHBondContact O-N 3.34Å; A34-M37 PolarHBondContact O-N 3.27Å; A34-D38 PolarHBondContact O-N 2.98Å; A34-R67 PolarHBondContact O-NH2 3.49Å
35	A	93.9	Very high	95.1	Very high	10 Å²	10	55.5 Å²	55.5	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-34.2	174.9	0	0	0	0	0	112.9	E31 S32 M33 M37 W40 G79	E31-A35 PolarHBondContact O-N 2.94Å; S32-A35 PolarHBondContact O-N 3.49Å; M33-A35 VanDerWaalsContact C-N 3.35Å; M33-A35 PolarHBondContact O-N 3.22Å; A35-M37 VanDerWaalsContact C-N 3.33Å; A35-W40 PolarHBondContact O-NE1 2.96Å; A35-G79 WeakPolarHBondContact O-CA 3.33Å
36	D	93.6	Very high	95.2	Very high	71 Å²	71	60.7 Å²	60.7	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-77.1	-19	177.7	-69.7	-17.8	0	0	0	112.9	S32 M33 A34 W40 W80 K161	S32-D36 PolarHBondContact O-N 3.05Å; S32-D36 VanDerWaalsContact O-N 3.08Å; M33-D36 PolarHBondContact O-N 3.46Å; A34-D36 VanDerWaalsContact C-N 3.31Å; A34-D36 PolarHBondContact O-N 3.34Å; D36-W40 WeakPolarHBondContact OD1-CZ2 3.36Å; D36-W80 PolarHBondContact OD1-NE1 3.35Å; D36-K161 IonicContact OD1-NZ 2.8Å; D36-K161 PolarHBondContact OD1-NZ 2.65Å; D36-K161 VanDerWaalsContact OD1-NZ 3.17Å
37	M	94.9	Very high	95.4	Very high	161 Å²	161	63.2 Å²	63.2	79%	0.793	33%	0.33	S	S	*	.	H	α-helix	trans	-82.9	-25.4	175.5	-72.8	-60.5	-58.2	0	0	114.1	M33 A34 A35	M33-M37 WeakPolarHBondContact O-CG 3.38Å; M33-M37 PolarHBondContact O-N 3.09Å; A34-M37 PolarHBondContact O-N 3.27Å; A35-M37 VanDerWaalsContact C-N 3.33Å
38	D	96.3	Very high	95.6	Very high	47 Å²	47	63.6 Å²	63.6	25%	0.251	33%	0.331	S	S	.	.	S	Bend	trans	-80.2	158.1	177.8	-75.6	-37	0	0	0	112.1	A34 R67	A34-D38 PolarHBondContact O-N 2.98Å; D38-R67 IonicContact OD2-CZ 2.76Å; D38-R67 IonicContact OD2-NH1 3.64Å; D38-R67 PolarHBondContact OD2-NH1 3.34Å; D38-R67 IonicContact OD2-NH2 2.85Å; D38-R67 PolarHBondContact OD2-NH2 2.98Å
39	P	97.1	Very high	95.8	Very high	85 Å²	85	63.9 Å²	63.9	55%	0.552	34%	0.341	S	S	*	.			trans	-58.2	144.5	177.8	-24.7	34.6	0	0	0	113.4	V78 G79	P39-V78 CarbonylContact O-C 3.52Å; P39-V78 WeakPolarHBondContact O-CA 3.48Å; P39-G79 PolarHBondContact O-N 2.81Å
40	W	97.8	Very high	96	Very high	81 Å²	81	66.1 Å²	66.1	31%	0.307	36%	0.36	S	S	.	.			trans	-105.2	144.9	175.6	-65.8	17.8	0	0	0	110.6	A35 D36 I42 W80 A82 K161	A35-W40 PolarHBondContact O-NE1 2.96Å; D36-W40 WeakPolarHBondContact OD1-CZ2 3.36Å; W40-I42 HydrophobicContact CB-CD1 3.89Å; W40-I42 HydrophobicContact CB-CG1 3.69Å; W40-I42 HydrophobicContact CE3-CD1 4.41Å; W40-W80 CarbonylContact C-O 3.58Å; W40-W80 VanDerWaalsContact CA-O 3.25Å; W40-W80 WeakPolarHBondContact CA-O 3.48Å; W40-W80 WeakPolarHBondContact CB-O 3.45Å; W40-W80 HydrophobicContact CD2-CB 3.65Å; W40-W80 HydrophobicContact CD2-CG 4.2Å; W40-W80 AromaticContact CE2-CD1 3.35Å; W40-W80 AromaticContact CE2-CG 3.88Å; W40-W80 HydrophobicContact CE3-CB 3.97Å; W40-W80 HydrophobicContact CG-CB 3.9Å; W40-W80 HydrophobicContact CH2-CG 4.46Å; W40-W80 HydrophobicContact CZ2-CB 4.36Å; W40-W80 AromaticContact CZ2-CD1 3.4Å; W40-W80 VanDerWaalsContact CZ2-CD1 3.4Å; W40-W80 HydrophobicContact CZ2-CG 4.04Å; W40-W80 HydrophobicContact CZ3-CB 4.46Å; W40-W80 AromaticContact NE1-CD1 3.45Å; W40-A82 HydrophobicContact CE3-CB 4.01Å; W40-A82 HydrophobicContact CZ3-CB 4.36Å; W40-K161 HydrophobicContact CH2-CD 3.84Å; W40-K161 HydrophobicContact CZ3-CD 3.97Å
41	I	98.3	Very high	96.2	Very high	39 Å²	39	68.4 Å²	68.4	20%	0.2	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.9	165.5	-59.6	179.1	0	0	0	107	W56 N60 V65 V78 W80 I81 A82	I41-W56 HydrophobicContact CG2-CZ2 3.82Å; I41-N60 HydrophobicContact CG2-CB 4.12Å; I41-N60 WeakPolarHBondContact CG2-OD1 3.28Å; I41-V65 HydrophobicContact CD1-CG1 3.79Å; I41-V65 HydrophobicContact CD1-CG2 4.19Å; I41-V78 HydrophobicContact CD1-CG1 4.08Å; I41-V78 HydrophobicContact CD1-CG2 3.97Å; I41-V78 HydrophobicContact CG1-CG1 3.92Å; I41-V78 HydrophobicContact CG1-CG2 4.18Å; I41-W80 PolarHBondContact N-O 3.25Å; I41-I81 HydrophobicContact CB-CG1 4.32Å; I41-I81 HydrophobicContact CB-CG2 4.42Å; I41-I81 HydrophobicContact CD1-CG1 4.43Å; I41-I81 HydrophobicContact CG2-CG2 4.43Å; I41-I81 CarbonylContact O-C 3.57Å; I41-I81 VanDerWaalsContact O-CA 3.31Å; I41-I81 WeakPolarHBondContact O-CA 3.42Å; I41-A82 PolarHBondContact O-N 3.21Å
42	I	98.5	Very high	96.5	Very high	79 Å²	79	70 Å²	70	41%	0.405	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128	-172.4	-60.2	173.8	0	0	0	110.3	W40 D44 A82 L84	W40-I42 HydrophobicContact CB-CD1 3.89Å; W40-I42 HydrophobicContact CB-CG1 3.69Å; W40-I42 HydrophobicContact CE3-CD1 4.41Å; I42-D44 HydrophobicContact CG2-CB 4.28Å; I42-A82 WeakPolarHBondContact CA-O 3.39Å; I42-A82 HydrophobicContact CG1-CB 4.41Å; I42-L84 HydrophobicContact CG2-CD1 3.8Å; I42-L84 HydrophobicContact CG2-CG 3.86Å
43	F	98.6	Very high	96.7	Very high	1 Å²	1	68.8 Å²	68.8	0%	0.004	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	111.9	157.6	-166	-83	0	0	0	108.7	T48 F53 W56 A82 V83 L84 L153	F43-T48 HydrophobicContact CD2-CG2 4.18Å; F43-T48 HydrophobicContact CE2-CG2 3.47Å; F43-T48 VanDerWaalsContact CE2-CG2 3.47Å; F43-T48 HydrophobicContact CZ-CG2 3.67Å; F43-F53 HydrophobicContact CB-CE2 4.41Å; F43-F53 AromaticContact CD1-CD2 3.67Å; F43-F53 HydrophobicContact CD1-CD2 3.67Å; F43-F53 HydrophobicContact CD1-CE2 4.01Å; F43-F53 AromaticContact CD2-CD2 3.76Å; F43-F53 HydrophobicContact CD2-CD2 3.76Å; F43-F53 HydrophobicContact CD2-CE2 4.44Å; F43-F53 HydrophobicContact CE1-CB 4.47Å; F43-F53 AromaticContact CE1-CD2 3.69Å; F43-F53 HydrophobicContact CE1-CD2 3.69Å; F43-F53 HydrophobicContact CE1-CE2 4.42Å; F43-F53 HydrophobicContact CE1-CG 4.5Å; F43-F53 HydrophobicContact CE2-CB 4.04Å; F43-F53 AromaticContact CE2-CD2 3.76Å; F43-F53 HydrophobicContact CE2-CD2 3.76Å; F43-F53 HydrophobicContact CE2-CG 4.42Å; F43-F53 AromaticContact CG-CD2 3.71Å; F43-F53 HydrophobicContact CG-CD2 3.71Å; F43-F53 HydrophobicContact CG-CE2 4.03Å; F43-F53 HydrophobicContact CZ-CB 3.85Å; F43-F53 AromaticContact CZ-CD2 3.72Å; F43-F53 HydrophobicContact CZ-CD2 3.72Å; F43-F53 HydrophobicContact CZ-CG 4.28Å; F43-W56 HydrophobicContact CB-CD2 3.84Å; F43-W56 HydrophobicContact CB-CE3 3.99Å; F43-W56 HydrophobicContact CB-CG 4.49Å; F43-W56 HydrophobicContact CB-CH2 3.85Å; F43-W56 HydrophobicContact CB-CZ2 3.7Å; F43-W56 HydrophobicContact CB-CZ3 4.01Å; F43-W56 HydrophobicContact CD2-CB 3.93Å; F43-W56 AromaticContact CD2-CD2 3.81Å; F43-W56 HydrophobicContact CD2-CD2 3.81Å; F43-W56 HydrophobicContact CD2-CE3 4.23Å; F43-W56 AromaticContact CD2-CG 3.65Å; F43-W56 HydrophobicContact CD2-CG 3.65Å; F43-W56 HydrophobicContact CE2-CB 4.25Å; F43-W56 HydrophobicContact CE2-CG 4.43Å; F43-W56 HydrophobicContact CG-CD2 4.25Å; F43-W56 HydrophobicContact CG-CE3 4.41Å; F43-A82 PolarHBondContact N-O 3.1Å; F43-V83 HydrophobicContact CB-CG2 4.2Å; F43-V83 HydrophobicContact CD1-CG1 4.4Å; F43-V83 WeakPolarHBondContact O-CA 3.47Å; F43-L84 PolarHBondContact O-N 3.37Å; F43-L153 HydrophobicContact CD1-CD1 4.46Å; F43-L153 HydrophobicContact CE1-CD1 3.72Å; F43-L153 HydrophobicContact CZ-CD1 4.47Å
44	D	98.1	Very high	97	Very high	11 Å²	11	67 Å²	67	6%	0.059	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	103.1	178.2	-172.1	-17.4	0	0	0	109	I42 R46 K47 T48 L84	I42-D44 HydrophobicContact CG2-CB 4.28Å; D44-R46 PolarHBondContact O-N 2.97Å; D44-R46 VanDerWaalsContact OD1-CB 3.32Å; D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 IonicContact OD1-CZ 2.67Å; D44-R46 PolarHBondContact OD1-N 3.4Å; D44-R46 VanDerWaalsContact OD1-N 3.14Å; D44-R46 IonicContact OD1-NE 2.64Å; D44-R46 PolarHBondContact OD1-NE 3Å; D44-R46 IonicContact OD1-NH2 3.21Å; D44-R46 PolarHBondContact OD1-NH2 3.36Å; D44-R46 IonicContact OD2-CZ 3.88Å; D44-R46 IonicContact OD2-NE 3.51Å; D44-R46 IonicContact OD2-NH2 3.06Å; D44-R46 PolarHBondContact OD2-NH2 2.91Å; D44-K47 HydrophobicContact CB-CB 4.21Å; D44-K47 HydrophobicContact CB-CD 4.22Å; D44-K47 HydrophobicContact CB-CG 4.3Å; D44-K47 PolarHBondContact O-N 3.31Å; D44-K47 WeakPolarHBondContact OD2-CD 3.38Å; D44-K47 WeakPolarHBondContact OD2-CE 3.39Å; D44-K47 IonicContact OD2-NZ 3.35Å; D44-K47 PolarHBondContact OD2-NZ 3.22Å; D44-T48 PolarHBondContact O-N 2.86Å; D44-L84 HydrophobicContact CB-CD1 4.33Å
45	S	97.4	Very high	97.2	Very high	26 Å²	26	66.6 Å²	66.6	18%	0.182	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.1	-176.7	-55.6	0	0	0	0	113.6	L84 L153	S45-L84 VanDerWaalsContact CB-O 3.28Å; S45-L84 WeakPolarHBondContact CB-O 3.4Å; S45-L84 PolarHBondContact N-O 3.28Å; S45-L84 PolarHBondContact OG-O 3.44Å; S45-L84 VanDerWaalsContact OG-O 3.09Å; S45-L153 VanDerWaalsContact OG-CD1 3.29Å; S45-L153 WeakPolarHBondContact OG-CD1 3.43Å
46	R	96.3	Very high	97.4	Very high	111 Å²	111	67.9 Å²	67.9	42%	0.419	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.6	174.6	-53	165.2	-61.1	172	8.1	112.3	D44 H88	D44-R46 PolarHBondContact O-N 2.97Å; D44-R46 VanDerWaalsContact OD1-CB 3.32Å; D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 IonicContact OD1-CZ 2.67Å; D44-R46 PolarHBondContact OD1-N 3.4Å; D44-R46 VanDerWaalsContact OD1-N 3.14Å; D44-R46 IonicContact OD1-NE 2.64Å; D44-R46 PolarHBondContact OD1-NE 3Å; D44-R46 IonicContact OD1-NH2 3.21Å; D44-R46 PolarHBondContact OD1-NH2 3.36Å; D44-R46 IonicContact OD2-CZ 3.88Å; D44-R46 IonicContact OD2-NE 3.51Å; D44-R46 IonicContact OD2-NH2 3.06Å; D44-R46 PolarHBondContact OD2-NH2 2.91Å; R46-H88 PolarHBondContact NH1-O 3.44Å
47	K	96.9	Very high	97.6	Very high	165 Å²	165	65.1 Å²	65.1	72%	0.717	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-29.5	-173.5	-60.3	-179.6	-174.8	167.1	0	113.3	D44	D44-K47 HydrophobicContact CB-CB 4.21Å; D44-K47 HydrophobicContact CB-CD 4.22Å; D44-K47 HydrophobicContact CB-CG 4.3Å; D44-K47 PolarHBondContact O-N 3.31Å; D44-K47 WeakPolarHBondContact OD2-CD 3.38Å; D44-K47 WeakPolarHBondContact OD2-CE 3.39Å; D44-K47 IonicContact OD2-NZ 3.35Å; D44-K47 PolarHBondContact OD2-NZ 3.22Å
48	T	96.9	Very high	97.7	Very high	41 Å²	41	63.7 Å²	63.7	25%	0.252	35%	0.35	S	S	.	.	S	Bend	trans	-110.4	130.3	-175.3	-51.8	0	0	0	0	110.4	F43 D44 E52	F43-T48 HydrophobicContact CD2-CG2 4.18Å; F43-T48 HydrophobicContact CE2-CG2 3.47Å; F43-T48 VanDerWaalsContact CE2-CG2 3.47Å; F43-T48 HydrophobicContact CZ-CG2 3.67Å; D44-T48 PolarHBondContact O-N 2.86Å; T48-E52 HydrophobicContact CG2-CB 4.24Å
49	P	97.2	Very high	97.7	Very high	76 Å²	76	66.7 Å²	66.7	49%	0.494	37%	0.37	S	S	.	.			trans	-57.9	137.4	176.6	-24.4	34	0	0	0	112.7	A51 E52	P49-A51 PolarHBondContact O-N 3.22Å; P49-A51 VanDerWaalsContact O-N 3.11Å; P49-E52 WeakPolarHBondContact CD-OE1 3.49Å; P49-E52 PolarHBondContact O-N 3.43Å
50	A	97.2	Very high	97.7	Very high	63 Å²	63	63.7 Å²	63.7	52%	0.521	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-59.2	-26.6	179.7	0	0	0	0	0	113.7	E52 F53 L153	A50-E52 PolarHBondContact O-N 2.98Å; A50-F53 WeakPolarHBondContact O-CB 3.39Å; A50-F53 PolarHBondContact O-N 3.48Å; A50-F53 VanDerWaalsContact O-N 3.11Å; A50-L153 HydrophobicContact CB-CD1 4.13Å; A50-L153 HydrophobicContact CB-CD2 4.36Å
51	A	97.9	Very high	97.7	Very high	99 Å²	99	65.4 Å²	65.4	82%	0.818	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-64.5	-20.9	177.6	0	0	0	0	0	113.8	P49 F53	P49-A51 PolarHBondContact O-N 3.22Å; P49-A51 VanDerWaalsContact O-N 3.11Å; A51-F53 VanDerWaalsContact C-N 3.32Å
52	E	98.2	Very high	97.6	Very high	112 Å²	112	63.6 Å²	63.6	52%	0.523	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-85.1	-9.2	177.2	-65	178.1	-142.3	0	0	112.6	T48 P49 A50 D54 G55 W56	T48-E52 HydrophobicContact CG2-CB 4.24Å; P49-E52 WeakPolarHBondContact CD-OE1 3.49Å; P49-E52 PolarHBondContact O-N 3.43Å; A50-E52 PolarHBondContact O-N 2.98Å; E52-D54 PolarHBondContact O-N 3.19Å; E52-G55 PolarHBondContact O-N 2.97Å; E52-W56 PolarHBondContact O-N 3.18Å
53	F	98.4	Very high	97.5	Very high	1 Å²	1	60 Å²	60	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-39.3	-169.6	-172.7	-111.4	0	0	0	113.6	F43 A50 A51 W56 L57 V83 A149 R150 L153	F43-F53 HydrophobicContact CB-CE2 4.41Å; F43-F53 AromaticContact CD1-CD2 3.67Å; F43-F53 HydrophobicContact CD1-CD2 3.67Å; F43-F53 HydrophobicContact CD1-CE2 4.01Å; F43-F53 AromaticContact CD2-CD2 3.76Å; F43-F53 HydrophobicContact CD2-CD2 3.76Å; F43-F53 HydrophobicContact CD2-CE2 4.44Å; F43-F53 HydrophobicContact CE1-CB 4.47Å; F43-F53 AromaticContact CE1-CD2 3.69Å; F43-F53 HydrophobicContact CE1-CD2 3.69Å; F43-F53 HydrophobicContact CE1-CE2 4.42Å; F43-F53 HydrophobicContact CE1-CG 4.5Å; F43-F53 HydrophobicContact CE2-CB 4.04Å; F43-F53 AromaticContact CE2-CD2 3.76Å; F43-F53 HydrophobicContact CE2-CD2 3.76Å; F43-F53 HydrophobicContact CE2-CG 4.42Å; F43-F53 AromaticContact CG-CD2 3.71Å; F43-F53 HydrophobicContact CG-CD2 3.71Å; F43-F53 HydrophobicContact CG-CE2 4.03Å; F43-F53 HydrophobicContact CZ-CB 3.85Å; F43-F53 AromaticContact CZ-CD2 3.72Å; F43-F53 HydrophobicContact CZ-CD2 3.72Å; F43-F53 HydrophobicContact CZ-CG 4.28Å; A50-F53 WeakPolarHBondContact O-CB 3.39Å; A50-F53 PolarHBondContact O-N 3.48Å; A50-F53 VanDerWaalsContact O-N 3.11Å; A51-F53 VanDerWaalsContact C-N 3.32Å; F53-W56 HydrophobicContact CD2-CE3 4.33Å; F53-W56 HydrophobicContact CE2-CE3 4.09Å; F53-W56 HydrophobicContact CE2-CZ3 4.19Å; F53-W56 WeakPolarHBondContact O-CB 3.26Å; F53-W56 PolarHBondContact O-N 2.99Å; F53-L57 HydrophobicContact CD1-CD1 3.74Å; F53-L57 HydrophobicContact CD1-CG 4.2Å; F53-L57 HydrophobicContact CE1-CD1 3.32Å; F53-L57 HydrophobicContact CE1-CD2 4.4Å; F53-L57 HydrophobicContact CE1-CG 3.83Å; F53-L57 HydrophobicContact CE2-CG 4.42Å; F53-L57 HydrophobicContact CZ-CD1 3.91Å; F53-L57 HydrophobicContact CZ-CD2 4.14Å; F53-L57 HydrophobicContact CZ-CG 3.95Å; F53-L57 PolarHBondContact O-N 2.66Å; F53-V83 HydrophobicContact CE2-CG1 4.18Å; F53-V83 HydrophobicContact CE2-CG2 3.9Å; F53-V83 HydrophobicContact CZ-CG2 4.26Å; F53-A149 HydrophobicContact CZ-CB 3.83Å; F53-R150 HydrophobicContact CD1-CG 4.45Å; F53-R150 HydrophobicContact CE1-CG 3.7Å; F53-L153 HydrophobicContact CB-CD2 3.92Å; F53-L153 HydrophobicContact CD1-CD2 3.54Å; F53-L153 HydrophobicContact CD2-CD1 4.43Å; F53-L153 HydrophobicContact CD2-CD2 4.21Å; F53-L153 HydrophobicContact CE1-CB 4.49Å; F53-L153 HydrophobicContact CE1-CD2 4.01Å; F53-L153 HydrophobicContact CG-CD2 3.63Å; F53-L153 HydrophobicContact CZ-CB 4.38Å
54	D	98.4	Very high	97.4	Very high	81 Å²	81	67 Å²	67	43%	0.433	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-46.5	-179.2	-68.7	-27.1	0	0	0	111.3	E52 W56 L57 E58 R150	E52-D54 PolarHBondContact O-N 3.19Å; D54-W56 VanDerWaalsContact C-N 3.29Å; D54-W56 PolarHBondContact O-N 3.45Å; D54-L57 PolarHBondContact O-N 2.79Å; D54-E58 WeakPolarHBondContact O-CG 3.23Å; D54-E58 PolarHBondContact O-N 2.91Å; D54-R150 IonicContact OD1-CZ 3.47Å; D54-R150 IonicContact OD1-NH1 3.44Å; D54-R150 PolarHBondContact OD1-NH1 3.48Å; D54-R150 IonicContact OD1-NH2 2.77Å; D54-R150 PolarHBondContact OD1-NH2 3.26Å
55	G	98.4	Very high	97.2	Very high	38 Å²	38	67.3 Å²	67.3	39%	0.392	36%	0.364	S	S	.	.	H	α-helix	trans	-64.3	-34.5	175.3	0	0	0	0	0	112.8	E52 T59	E52-G55 PolarHBondContact O-N 2.97Å; G55-T59 PolarHBondContact O-N 3.5Å; G55-T59 PolarHBondContact O-OG1 3.06Å
56	W	98.4	Very high	97.1	Very high	37 Å²	37	67.2 Å²	67.2	14%	0.14	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-44.2	173.1	-178.1	92.3	0	0	0	112.1	I41 F43 E52 F53 D54 E58 T59 N60 I81 V83 W145	I41-W56 HydrophobicContact CG2-CZ2 3.82Å; F43-W56 HydrophobicContact CB-CD2 3.84Å; F43-W56 HydrophobicContact CB-CE3 3.99Å; F43-W56 HydrophobicContact CB-CG 4.49Å; F43-W56 HydrophobicContact CB-CH2 3.85Å; F43-W56 HydrophobicContact CB-CZ2 3.7Å; F43-W56 HydrophobicContact CB-CZ3 4.01Å; F43-W56 HydrophobicContact CD2-CB 3.93Å; F43-W56 AromaticContact CD2-CD2 3.81Å; F43-W56 HydrophobicContact CD2-CD2 3.81Å; F43-W56 HydrophobicContact CD2-CE3 4.23Å; F43-W56 AromaticContact CD2-CG 3.65Å; F43-W56 HydrophobicContact CD2-CG 3.65Å; F43-W56 HydrophobicContact CE2-CB 4.25Å; F43-W56 HydrophobicContact CE2-CG 4.43Å; F43-W56 HydrophobicContact CG-CD2 4.25Å; F43-W56 HydrophobicContact CG-CE3 4.41Å; E52-W56 PolarHBondContact O-N 3.18Å; F53-W56 HydrophobicContact CD2-CE3 4.33Å; F53-W56 HydrophobicContact CE2-CE3 4.09Å; F53-W56 HydrophobicContact CE2-CZ3 4.19Å; F53-W56 WeakPolarHBondContact O-CB 3.26Å; F53-W56 PolarHBondContact O-N 2.99Å; D54-W56 VanDerWaalsContact C-N 3.29Å; D54-W56 PolarHBondContact O-N 3.45Å; W56-E58 VanDerWaalsContact C-N 3.34Å; W56-E58 PolarHBondContact O-N 3.16Å; W56-T59 PolarHBondContact O-N 3.14Å; W56-N60 VanDerWaalsContact CD1-ND2 3.3Å; W56-N60 HydrophobicContact CZ2-CB 4.46Å; W56-N60 PolarHBondContact NE1-ND2 3.22Å; W56-N60 WeakPolarHBondContact O-CB 3.38Å; W56-N60 PolarHBondContact O-N 2.89Å; W56-N60 PolarHBondContact O-ND2 2.83Å; W56-I81 HydrophobicContact CH2-CG2 3.61Å; W56-I81 HydrophobicContact CZ2-CG2 3.95Å; W56-V83 HydrophobicContact CH2-CG2 3.84Å; W56-V83 HydrophobicContact CZ3-CG2 3.77Å; W56-W145 HydrophobicContact CH2-CZ2 4.03Å; W56-W145 HydrophobicContact CZ3-CZ2 4.2Å
57	L	97.5	Very high	97	Very high	13 Å²	13	63.5 Å²	63.5	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-42.4	176.3	-82.3	175.5	0	0	0	112	F53 D54 T59 N60 R61 E146 A149	F53-L57 HydrophobicContact CD1-CD1 3.74Å; F53-L57 HydrophobicContact CD1-CG 4.2Å; F53-L57 HydrophobicContact CE1-CD1 3.32Å; F53-L57 HydrophobicContact CE1-CD2 4.4Å; F53-L57 HydrophobicContact CE1-CG 3.83Å; F53-L57 HydrophobicContact CE2-CG 4.42Å; F53-L57 HydrophobicContact CZ-CD1 3.91Å; F53-L57 HydrophobicContact CZ-CD2 4.14Å; F53-L57 HydrophobicContact CZ-CG 3.95Å; F53-L57 PolarHBondContact O-N 2.66Å; D54-L57 PolarHBondContact O-N 2.79Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 3.41Å; L57-N60 PolarHBondContact O-N 2.76Å; L57-R61 WeakPolarHBondContact O-CG 3.12Å; L57-R61 PolarHBondContact O-N 2.81Å; L57-E146 HydrophobicContact CD1-CB 4.4Å; L57-E146 HydrophobicContact CD1-CG 3.87Å; L57-A149 HydrophobicContact CD2-CB 4.21Å
58	E	96.9	Very high	96.8	Very high	131 Å²	131	60.7 Å²	60.7	61%	0.612	34%	0.341	S	S	*	.	H	α-helix	trans	-62.3	-39.7	179.3	-74.1	178.7	173.1	0	0	112.5	D54 W56	D54-E58 WeakPolarHBondContact O-CG 3.23Å; D54-E58 PolarHBondContact O-N 2.91Å; W56-E58 VanDerWaalsContact C-N 3.34Å; W56-E58 PolarHBondContact O-N 3.16Å
59	T	96.3	Very high	96.2	Very high	110 Å²	110	60.1 Å²	60.1	68%	0.675	34%	0.343	S	S	*	.	H	α-helix	trans	-78.7	-26.3	-178.8	-54.5	0	0	0	0	112.5	G55 W56 L57	G55-T59 PolarHBondContact O-N 3.5Å; G55-T59 PolarHBondContact O-OG1 3.06Å; W56-T59 PolarHBondContact O-N 3.14Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 3.41Å
60	N	97.3	Very high	95.4	Very high	22 Å²	22	60.3 Å²	60.3	12%	0.118	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	38.9	-170.8	-58.1	-69.8	0	0	0	113	I41 W56 L57 V65 I81	I41-N60 HydrophobicContact CG2-CB 4.12Å; I41-N60 WeakPolarHBondContact CG2-OD1 3.28Å; W56-N60 VanDerWaalsContact CD1-ND2 3.3Å; W56-N60 HydrophobicContact CZ2-CB 4.46Å; W56-N60 PolarHBondContact NE1-ND2 3.22Å; W56-N60 WeakPolarHBondContact O-CB 3.38Å; W56-N60 PolarHBondContact O-N 2.89Å; W56-N60 PolarHBondContact O-ND2 2.83Å; L57-N60 PolarHBondContact O-N 2.76Å; N60-V65 HydrophobicContact CB-CG2 4.47Å; N60-I81 HydrophobicContact CB-CG2 4.45Å
61	R	97.6	Very high	94	Very high	117 Å²	117	66.4 Å²	66.4	44%	0.442	36%	0.358	S	S	.	.			trans	-62.2	127.5	176.1	-68	-177.2	-177.3	-179.7	2.7	110.7	L57 S63 Q64 V65	L57-R61 WeakPolarHBondContact O-CG 3.12Å; L57-R61 PolarHBondContact O-N 2.81Å; R61-S63 PolarHBondContact O-N 3.4Å; R61-Q64 HydrophobicContact CB-CB 4.33Å; R61-Q64 HydrophobicContact CB-CG 4.08Å; R61-Q64 PolarHBondContact O-N 3.29Å; R61-V65 WeakPolarHBondContact O-CG2 3.42Å; R61-V65 PolarHBondContact O-N 3.33Å
62	P	97.6	Very high	92.9	Very high	1 Å²	1	71 Å²	71	1%	0.006	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.1	-178.3	21.6	-31.8	0	0	0	112.9	Q64 I81 V141 D142 W145 V162 R165 H173	P62-Q64 PolarHBondContact O-N 2.56Å; P62-I81 HydrophobicContact CB-CD1 4.06Å; P62-V141 HydrophobicContact CB-CG2 4.41Å; P62-V141 HydrophobicContact CG-CG2 4.04Å; P62-D142 WeakPolarHBondContact CD-OD1 3.17Å; P62-D142 WeakPolarHBondContact CG-OD1 3.47Å; P62-W145 HydrophobicContact CG-CB 3.91Å; P62-W145 HydrophobicContact CG-CG 3.96Å; P62-V162 HydrophobicContact CB-CB 4.4Å; P62-V162 HydrophobicContact CB-CG1 3.79Å; P62-V162 HydrophobicContact CB-CG2 3.64Å; P62-V162 HydrophobicContact CG-CG1 4.13Å; P62-V162 HydrophobicContact CG-CG2 4.06Å; P62-R165 PolarHBondContact O-N 2.55Å; P62-H173 PolarHBondContact O-CE1 3.33Å
63	S	96.7	Very high	91.6	Very high	5 Å²	5	67.8 Å²	67.8	4%	0.035	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.3	175.2	73.9	0	0	0	0	114.4	R61 D142 R165	R61-S63 PolarHBondContact O-N 3.4Å; S63-D142 VanDerWaalsContact CB-OD1 3.25Å; S63-D142 WeakPolarHBondContact CB-OD1 3.2Å; S63-D142 WeakPolarHBondContact CB-OD2 3.47Å; S63-D142 PolarHBondContact N-OD1 2.8Å; S63-D142 VanDerWaalsContact OG-CG 3.22Å; S63-D142 PolarHBondContact OG-OD1 3.17Å; S63-D142 VanDerWaalsContact OG-OD1 3.11Å; S63-D142 PolarHBondContact OG-OD2 2.79Å; S63-R165 WeakPolarHBondContact O-CD 3.31Å
64	Q	94.7	Very high	90.7	Very high	146 Å²	146	71.1 Å²	71.1	68%	0.682	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-33.3	-174.5	-58.3	-55.8	-46.9	0	0	113.3	R61 P62 G66	R61-Q64 HydrophobicContact CB-CB 4.33Å; R61-Q64 HydrophobicContact CB-CG 4.08Å; R61-Q64 PolarHBondContact O-N 3.29Å; P62-Q64 PolarHBondContact O-N 2.56Å; Q64-G66 PolarHBondContact O-N 2.79Å
65	V	95.2	Very high	89.9	Confident	18 Å²	18	74.4 Å²	74.4	11%	0.109	40%	0.404	C	S	.	.	S	Bend	trans	-68.9	119.2	177.6	175.7	0	0	0	0	109.4	I41 N60 R61 V78 I81 P164 R165	I41-V65 HydrophobicContact CD1-CG1 3.79Å; I41-V65 HydrophobicContact CD1-CG2 4.19Å; N60-V65 HydrophobicContact CB-CG2 4.47Å; R61-V65 WeakPolarHBondContact O-CG2 3.42Å; R61-V65 PolarHBondContact O-N 3.33Å; V65-V78 HydrophobicContact CG1-CB 4.05Å; V65-V78 HydrophobicContact CG1-CG1 4.03Å; V65-V78 HydrophobicContact CG1-CG2 3.94Å; V65-I81 HydrophobicContact CB-CD1 3.83Å; V65-I81 HydrophobicContact CG1-CD1 4.09Å; V65-I81 HydrophobicContact CG1-CG1 4.27Å; V65-I81 HydrophobicContact CG2-CD1 3.89Å; V65-P164 HydrophobicContact CB-CB 4.41Å; V65-P164 HydrophobicContact CG1-CB 3.94Å; V65-P164 VanDerWaalsContact O-CB 3.29Å; V65-P164 WeakPolarHBondContact O-CB 3.37Å; V65-R165 PolarHBondContact O-N 2.94Å
66	G	94.3	Very high	89.6	Confident	24 Å²	24	74.7 Å²	74.7	25%	0.247	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-83.1	136	-179.6	0	0	0	0	0	113.5	Q64 F68 G69 R165	Q64-G66 PolarHBondContact O-N 2.79Å; G66-F68 VanDerWaalsContact C-N 3.31Å; G66-F68 PolarHBondContact O-N 3.3Å; G66-G69 PolarHBondContact O-N 3.18Å; G66-R165 CarbonylContact C-O 3.5Å; G66-R165 WeakPolarHBondContact CA-O 3.18Å
67	R	95.2	Very high	89.4	Confident	33 Å²	33	75.4 Å²	75.4	13%	0.125	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-42.6	177.3	174.3	62.6	-169.1	84.3	-3.4	112.8	A34 D38 P77 V78 P164 R165 D166	A34-R67 PolarHBondContact O-NH2 3.49Å; D38-R67 IonicContact OD2-CZ 2.76Å; D38-R67 IonicContact OD2-NH1 3.64Å; D38-R67 PolarHBondContact OD2-NH1 3.34Å; D38-R67 IonicContact OD2-NH2 2.85Å; D38-R67 PolarHBondContact OD2-NH2 2.98Å; R67-P77 WeakPolarHBondContact O-CA 3.42Å; R67-V78 VanDerWaalsContact CD-O 3.29Å; R67-V78 WeakPolarHBondContact CD-O 3.29Å; R67-V78 PolarHBondContact NH1-O 2.96Å; R67-V78 PolarHBondContact O-N 3.21Å; R67-P164 HydrophobicContact CB-CG 4.06Å; R67-R165 PolarHBondContact N-O 3Å; R67-D166 HydrophobicContact CB-CB 4.44Å
68	F	92.6	Very high	89.4	Confident	107 Å²	107	75.6 Å²	75.6	47%	0.469	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	4.9	-174.5	-55.2	-66.4	0	0	0	113.3	G66 D166	G66-F68 VanDerWaalsContact C-N 3.31Å; G66-F68 PolarHBondContact O-N 3.3Å; F68-D166 WeakPolarHBondContact CE2-OD1 3.32Å
69	G	84.4	Confident	89.4	Confident	29 Å²	29	69.4 Å²	69.4	30%	0.299	39%	0.39	S	S	.	.			trans	73.3	-163.8	-174.5	0	0	0	0	0	113.7	G66 K75 G76	G66-G69 PolarHBondContact O-N 3.18Å; G69-K75 CarbonylContact C-O 3.59Å; G69-K75 WeakPolarHBondContact CA-O 3.18Å; G69-G76 VanDerWaalsContact CA-O 3.22Å; G69-G76 WeakPolarHBondContact CA-O 3.34Å
70	D	80.6	Confident	89.5	Confident	79 Å²	79	65.2 Å²	65.2	42%	0.422	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-140.9	105.2	176.2	174.1	9.9	0	0	0	106.8	E72 G73 G74 K75	D70-E72 VanDerWaalsContact C-N 3.29Å; D70-E72 PolarHBondContact O-N 3.44Å; D70-E72 PolarHBondContact OD1-N 3Å; D70-G73 VanDerWaalsContact CG-N 3.34Å; D70-G73 CarbonylContact O-C 3.59Å; D70-G73 PolarHBondContact O-N 3.47Å; D70-G73 PolarHBondContact OD1-N 3.4Å; D70-G73 PolarHBondContact OD2-N 3.4Å; D70-G74 PolarHBondContact O-N 2.97Å; D70-K75 HydrophobicContact CB-CB 4.38Å; D70-K75 PolarHBondContact N-O 3.19Å; D70-K75 PolarHBondContact O-N 3.48Å
71	E	68.1	Low	89.6	Confident	192 Å²	192	64.1 Å²	64.1	90%	0.897	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-35.8	-177	-69.3	-172.8	170.5	0	0	111.8	G73 G74	E71-G73 VanDerWaalsContact C-N 3.34Å; E71-G74 PolarHBondContact O-N 2.85Å
72	E	73.5	Confident	89.6	Confident	196 Å²	196	58.6 Å²	58.6	92%	0.916	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-33.5	176.8	-66.5	-174.7	171.8	0	0	111.3	D70	D70-E72 VanDerWaalsContact C-N 3.29Å; D70-E72 PolarHBondContact O-N 3.44Å; D70-E72 PolarHBondContact OD1-N 3Å
73	G	71.4	Confident	89.7	Confident	44 Å²	44	58.5 Å²	58.5	45%	0.454	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1	176.5	0	0	0	0	0	115.4	D70 E71 K75	D70-G73 VanDerWaalsContact CG-N 3.34Å; D70-G73 CarbonylContact O-C 3.59Å; D70-G73 PolarHBondContact O-N 3.47Å; D70-G73 PolarHBondContact OD1-N 3.4Å; D70-G73 PolarHBondContact OD2-N 3.4Å; E71-G73 VanDerWaalsContact C-N 3.34Å; G73-K75 PolarHBondContact O-N 3.24Å
74	G	78.8	Confident	89.8	Confident	71 Å²	71	59 Å²	59	73%	0.732	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	18.4	-178.4	0	0	0	0	0	114.8	D70 E71	D70-G74 PolarHBondContact O-N 2.97Å; E71-G74 PolarHBondContact O-N 2.85Å
75	K	83.3	Confident	89.9	Confident	149 Å²	149	52 Å²	52	65%	0.648	30%	0.304	S	S	*	.	B	Isolated β-bridge	trans	-94.4	122.9	179.6	-67.2	179.5	-178.5	175.9	0	109.5	G69 D70 G73	G69-K75 CarbonylContact C-O 3.59Å; G69-K75 WeakPolarHBondContact CA-O 3.18Å; D70-K75 HydrophobicContact CB-CB 4.38Å; D70-K75 PolarHBondContact N-O 3.19Å; D70-K75 PolarHBondContact O-N 3.48Å; G73-K75 PolarHBondContact O-N 3.24Å
76	G	90.1	Very high	90	Very high	45 Å²	45	54 Å²	54	46%	0.464	32%	0.318	S	S	.	.			trans	-75.4	175.2	175.1	0	0	0	0	0	113.7	G69	G69-G76 VanDerWaalsContact CA-O 3.22Å; G69-G76 WeakPolarHBondContact CA-O 3.34Å
77	P	94.9	Very high	89.9	Confident	52 Å²	52	57.8 Å²	57.8	34%	0.338	33%	0.332	S	S	.	.			trans	-63.6	148.5	174.6	28.9	-35.2	0	0	0	111.2	R67	R67-P77 WeakPolarHBondContact O-CA 3.42Å
78	V	96.9	Very high	89.8	Confident	17 Å²	17	57.4 Å²	57.4	10%	0.103	33%	0.332	C	S	.	.			trans	-122.2	126.1	175.8	177.9	0	0	0	0	107.8	P39 I41 V65 R67 P164	P39-V78 CarbonylContact O-C 3.52Å; P39-V78 WeakPolarHBondContact O-CA 3.48Å; I41-V78 HydrophobicContact CD1-CG1 4.08Å; I41-V78 HydrophobicContact CD1-CG2 3.97Å; I41-V78 HydrophobicContact CG1-CG1 3.92Å; I41-V78 HydrophobicContact CG1-CG2 4.18Å; V65-V78 HydrophobicContact CG1-CB 4.05Å; V65-V78 HydrophobicContact CG1-CG1 4.03Å; V65-V78 HydrophobicContact CG1-CG2 3.94Å; R67-V78 VanDerWaalsContact CD-O 3.29Å; R67-V78 WeakPolarHBondContact CD-O 3.29Å; R67-V78 PolarHBondContact NH1-O 2.96Å; R67-V78 PolarHBondContact O-N 3.21Å; V78-P164 HydrophobicContact CB-CG 4.43Å; V78-P164 HydrophobicContact CG1-CB 4.48Å; V78-P164 HydrophobicContact CG1-CG 4.37Å; V78-P164 VanDerWaalsContact O-CG 3.28Å; V78-P164 WeakPolarHBondContact O-CG 3.3Å
79	G	97.4	Very high	89.4	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.01	33%	0.329	C	S	.	.			trans	-77	-53.8	174.8	0	0	0	0	0	112.2	A35 P39 P164	A35-G79 WeakPolarHBondContact O-CA 3.33Å; P39-G79 PolarHBondContact O-N 2.81Å; G79-P164 VanDerWaalsContact O-CD 3.28Å; G79-P164 WeakPolarHBondContact O-CD 3.43Å
80	W	98.5	Very high	89.1	Confident	21 Å²	21	58.3 Å²	58.3	8%	0.08	34%	0.344	C	S	.	.			trans	-147	153.1	-177.1	-68.4	94.3	0	0	0	111.9	D36 W40 I41 K161 V162 V174	D36-W80 PolarHBondContact OD1-NE1 3.35Å; W40-W80 CarbonylContact C-O 3.58Å; W40-W80 VanDerWaalsContact CA-O 3.25Å; W40-W80 WeakPolarHBondContact CA-O 3.48Å; W40-W80 WeakPolarHBondContact CB-O 3.45Å; W40-W80 HydrophobicContact CD2-CB 3.65Å; W40-W80 HydrophobicContact CD2-CG 4.2Å; W40-W80 AromaticContact CE2-CD1 3.35Å; W40-W80 AromaticContact CE2-CG 3.88Å; W40-W80 HydrophobicContact CE3-CB 3.97Å; W40-W80 HydrophobicContact CG-CB 3.9Å; W40-W80 HydrophobicContact CH2-CG 4.46Å; W40-W80 HydrophobicContact CZ2-CB 4.36Å; W40-W80 AromaticContact CZ2-CD1 3.4Å; W40-W80 VanDerWaalsContact CZ2-CD1 3.4Å; W40-W80 HydrophobicContact CZ2-CG 4.04Å; W40-W80 HydrophobicContact CZ3-CB 4.46Å; W40-W80 AromaticContact NE1-CD1 3.45Å; I41-W80 PolarHBondContact N-O 3.25Å; W80-K161 HydrophobicContact CB-CD 4.35Å; W80-K161 HydrophobicContact CD2-CD 3.57Å; W80-K161 VanDerWaalsContact CD2-CE 3.43Å; W80-K161 HydrophobicContact CD2-CG 4.02Å; W80-K161 VanDerWaalsContact CE2-NZ 3.25Å; W80-K161 HydrophobicContact CE3-CB 4.04Å; W80-K161 HydrophobicContact CE3-CD 3.69Å; W80-K161 HydrophobicContact CE3-CG 3.56Å; W80-K161 HydrophobicContact CG-CD 3.85Å; W80-K161 HydrophobicContact CZ3-CD 4.24Å; W80-K161 HydrophobicContact CZ3-CG 3.94Å; W80-K161 VanDerWaalsContact NE1-NZ 3.13Å; W80-V162 VanDerWaalsContact CE3-C 3.43Å; W80-V174 HydrophobicContact CH2-CG1 3.73Å; W80-V174 HydrophobicContact CZ3-CG1 3.99Å
81	I	98.8	Very high	89	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.8	162	-54	153.9	0	0	0	106.7	I41 W56 N60 P62 V65 W145 K161 V162	I41-I81 HydrophobicContact CB-CG1 4.32Å; I41-I81 HydrophobicContact CB-CG2 4.42Å; I41-I81 HydrophobicContact CD1-CG1 4.43Å; I41-I81 HydrophobicContact CG2-CG2 4.43Å; I41-I81 CarbonylContact O-C 3.57Å; I41-I81 VanDerWaalsContact O-CA 3.31Å; I41-I81 WeakPolarHBondContact O-CA 3.42Å; W56-I81 HydrophobicContact CH2-CG2 3.61Å; W56-I81 HydrophobicContact CZ2-CG2 3.95Å; N60-I81 HydrophobicContact CB-CG2 4.45Å; P62-I81 HydrophobicContact CB-CD1 4.06Å; V65-I81 HydrophobicContact CB-CD1 3.83Å; V65-I81 HydrophobicContact CG1-CD1 4.09Å; V65-I81 HydrophobicContact CG1-CG1 4.27Å; V65-I81 HydrophobicContact CG2-CD1 3.89Å; I81-W145 HydrophobicContact CG2-CZ2 3.82Å; I81-K161 CarbonylContact O-C 3.55Å; I81-K161 WeakPolarHBondContact O-CA 3.5Å; I81-K161 WeakPolarHBondContact O-CB 3.42Å; I81-V162 HydrophobicContact CB-CG1 3.82Å; I81-V162 HydrophobicContact CD1-CG1 4.15Å; I81-V162 HydrophobicContact CG2-CG1 4.38Å; I81-V162 PolarHBondContact N-O 3.45Å; I81-V162 PolarHBondContact O-N 2.78Å
82	A	98.7	Very high	89.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.1	-172.7	0	0	0	0	0	113.1	W40 I41 I42 F43 T160 K161	W40-A82 HydrophobicContact CE3-CB 4.01Å; W40-A82 HydrophobicContact CZ3-CB 4.36Å; I41-A82 PolarHBondContact O-N 3.21Å; I42-A82 WeakPolarHBondContact CA-O 3.39Å; I42-A82 HydrophobicContact CG1-CB 4.41Å; F43-A82 PolarHBondContact N-O 3.1Å; A82-T160 WeakPolarHBondContact CA-O 3.39Å; A82-K161 HydrophobicContact CB-CB 3.91Å
83	V	98.8	Very high	90.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127	166.8	-176.8	0	0	0	0	108.7	F43 F53 W56 W145 A149 A152 T160	F43-V83 HydrophobicContact CB-CG2 4.2Å; F43-V83 HydrophobicContact CD1-CG1 4.4Å; F43-V83 WeakPolarHBondContact O-CA 3.47Å; F53-V83 HydrophobicContact CE2-CG1 4.18Å; F53-V83 HydrophobicContact CE2-CG2 3.9Å; F53-V83 HydrophobicContact CZ-CG2 4.26Å; W56-V83 HydrophobicContact CH2-CG2 3.84Å; W56-V83 HydrophobicContact CZ3-CG2 3.77Å; V83-W145 HydrophobicContact CG2-CH2 3.94Å; V83-W145 HydrophobicContact CG2-CZ2 3.81Å; V83-A149 HydrophobicContact CG2-CB 3.82Å; V83-A152 HydrophobicContact CB-CB 4.19Å; V83-A152 HydrophobicContact CG1-CB 3.88Å; V83-T160 HydrophobicContact CB-CG2 4.2Å; V83-T160 PolarHBondContact N-O 2.9Å; V83-T160 PolarHBondContact O-N 3.37Å; V83-T160 VanDerWaalsContact O-N 3.08Å
84	L	98.5	Very high	91.5	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.5	175.4	-49.2	-177.9	0	0	0	107.9	I42 F43 D44 S45 H88 Q159	I42-L84 HydrophobicContact CG2-CD1 3.8Å; I42-L84 HydrophobicContact CG2-CG 3.86Å; F43-L84 PolarHBondContact O-N 3.37Å; D44-L84 HydrophobicContact CB-CD1 4.33Å; S45-L84 VanDerWaalsContact CB-O 3.28Å; S45-L84 WeakPolarHBondContact CB-O 3.4Å; S45-L84 PolarHBondContact N-O 3.28Å; S45-L84 PolarHBondContact OG-O 3.44Å; S45-L84 VanDerWaalsContact OG-O 3.09Å; L84-H88 HydrophobicContact CB-CB 3.96Å; L84-Q159 HydrophobicContact CD2-CG 3.89Å; L84-Q159 VanDerWaalsContact CD2-NE2 3.29Å
85	G	97.8	Very high	92.4	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.293	C	S	.	.			trans	-68.7	169.5	178.6	0	0	0	0	0	112.6	D87 H88 A152 F158	G85-D87 PolarHBondContact O-N 2.99Å; G85-H88 WeakPolarHBondContact O-CB 3.15Å; G85-H88 PolarHBondContact O-N 2.76Å; G85-A152 WeakPolarHBondContact CA-O 3.07Å; G85-F158 PolarHBondContact N-O 2.83Å
86	P	96.8	Very high	93	Very high	61 Å²	61	46.1 Å²	46.1	40%	0.396	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.1	178.4	22.2	-33.9	0	0	0	112.9	H88	P86-H88 VanDerWaalsContact C-N 3.26Å; P86-H88 PolarHBondContact O-N 3.08Å
87	D	92.6	Very high	93.4	Very high	102 Å²	102	44.7 Å²	44.7	55%	0.545	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	12	179.4	-63.3	-27.2	0	0	0	113.6	G85 C89	G85-D87 PolarHBondContact O-N 2.99Å; D87-C89 PolarHBondContact O-N 3.23Å; D87-C89 VanDerWaalsContact O-N 3.14Å
88	H	93.4	Very high	93.6	Very high	26 Å²	26	42.2 Å²	42.2	12%	0.12	26%	0.262	C	S	.	.			trans	-62.2	118	178.2	-177.9	68.9	0	0	0	110.6	R46 L84 G85 P86 F158 Q159	R46-H88 PolarHBondContact NH1-O 3.44Å; L84-H88 HydrophobicContact CB-CB 3.96Å; G85-H88 WeakPolarHBondContact O-CB 3.15Å; G85-H88 PolarHBondContact O-N 2.76Å; P86-H88 VanDerWaalsContact C-N 3.26Å; P86-H88 PolarHBondContact O-N 3.08Å; H88-F158 WeakPolarHBondContact CB-O 3.18Å; H88-F158 AromaticContact ND1-CD2 3.63Å; H88-F158 PolarHBondContact ND1-O 3.3Å; H88-Q159 PolarHBondContact CE1-NE2 2.99Å
89	C	83.5	Confident	93.6	Very high	60 Å²	60	45.4 Å²	45.4	41%	0.405	28%	0.276	S	S	.	.			trans	-119.7	131.6	169.2	57.7	0	0	0	0	109	D87	D87-C89 PolarHBondContact O-N 3.23Å; D87-C89 VanDerWaalsContact O-N 3.14Å
90	P	79.2	Confident	93.7	Very high	95 Å²	95	47.2 Å²	47.2	62%	0.617	29%	0.291	S	S	*	.			trans	-57.7	142	172.3	-21.8	32.4	0	0	0	110.9
91	A	77.1	Confident	93.7	Very high	67 Å²	67	46.8 Å²	46.8	55%	0.554	29%	0.291	S	S	*	.			trans	-62.5	136.4	173	0	0	0	0	0	110.1	T128	A91-T128 HydrophobicContact CB-CG2 4.24Å
92	T	79.1	Confident	93.6	Very high	140 Å²	140	47.6 Å²	47.6	86%	0.859	29%	0.294	S	S	*	.			trans	-107.7	9.2	-176.1	58.6	0	0	0	0	113.5
93	G	91.3	Very high	93.6	Very high	19 Å²	19	53.5 Å²	53.5	20%	0.196	32%	0.322	C	S	.	.			trans	-67.7	151.5	-176.8	0	0	0	0	0	113.5	I95 H124 G125	G93-I95 PolarHBondContact O-N 3.4Å; G93-I95 VanDerWaalsContact O-N 3.09Å; G93-H124 CarbonylContact C-O 3.52Å; G93-H124 WeakPolarHBondContact CA-O 3.5Å; G93-G125 WeakPolarHBondContact CA-O 3.35Å
94	D	96.8	Very high	93.6	Very high	82 Å²	82	61 Å²	61	44%	0.439	35%	0.35	S	S	.	.			trans	-80.6	82.3	176.6	-177.3	9.7	0	0	0	111	T96 G97 L98 H124	D94-T96 VanDerWaalsContact C-N 3.29Å; D94-T96 PolarHBondContact O-N 3.14Å; D94-T96 PolarHBondContact OD1-N 3.47Å; D94-G97 VanDerWaalsContact CG-N 3.32Å; D94-G97 PolarHBondContact O-N 3.35Å; D94-G97 PolarHBondContact OD1-N 2.8Å; D94-G97 WeakPolarHBondContact OD2-CA 3.25Å; D94-L98 VanDerWaalsContact O-CB 3.28Å; D94-L98 WeakPolarHBondContact O-CB 3.4Å; D94-L98 PolarHBondContact O-N 3.24Å; D94-H124 HydrophobicContact CB-CB 4.4Å; D94-H124 PolarHBondContact N-O 3.08Å; D94-H124 IonicContact OD2-ND1 2.7Å
95	I	96	Very high	93.5	Very high	58 Å²	58	61 Å²	61	30%	0.297	35%	0.35	S	S	.	.	H	α-helix	trans	-64	-37	179.9	-59.1	167	0	0	0	110.9	G93 L98 Q99 V126 Y213	G93-I95 PolarHBondContact O-N 3.4Å; G93-I95 VanDerWaalsContact O-N 3.09Å; I95-L98 WeakPolarHBondContact O-CB 3.45Å; I95-L98 PolarHBondContact O-N 2.95Å; I95-Q99 WeakPolarHBondContact O-CG 3.43Å; I95-Q99 PolarHBondContact O-N 2.87Å; I95-V126 HydrophobicContact CG1-CG2 4.44Å; I95-Y213 HydrophobicContact CD1-CD1 4.35Å; I95-Y213 HydrophobicContact CD1-CE1 3.75Å; I95-Y213 HydrophobicContact CD1-CE2 4.3Å; I95-Y213 HydrophobicContact CG1-CE1 4.38Å; I95-Y213 HydrophobicContact CG1-CE2 4.39Å; I95-Y213 HydrophobicContact CG2-CD1 3.98Å; I95-Y213 HydrophobicContact CG2-CE1 4.42Å; I95-Y213 HydrophobicContact CG2-CG 4.24Å
96	T	96.9	Very high	93.5	Very high	108 Å²	108	63.7 Å²	63.7	66%	0.663	36%	0.364	S	S	*	.	H	α-helix	trans	-67.6	-46.2	179.7	-57.2	0	0	0	0	111.1	D94 L98 Q99 A100	D94-T96 VanDerWaalsContact C-N 3.29Å; D94-T96 PolarHBondContact O-N 3.14Å; D94-T96 PolarHBondContact OD1-N 3.47Å; T96-L98 VanDerWaalsContact C-N 3.32Å; T96-L98 PolarHBondContact O-N 3.5Å; T96-Q99 PolarHBondContact O-N 3.26Å; T96-A100 PolarHBondContact O-N 2.99Å
97	G	98.3	Very high	93.5	Very high	15 Å²	15	66.9 Å²	66.9	16%	0.155	38%	0.383	C	S	.	.	H	α-helix	trans	-63.3	-36.8	173.7	0	0	0	0	0	113	D94 S101 H124	D94-G97 VanDerWaalsContact CG-N 3.32Å; D94-G97 PolarHBondContact O-N 3.35Å; D94-G97 PolarHBondContact OD1-N 2.8Å; D94-G97 WeakPolarHBondContact OD2-CA 3.25Å; G97-S101 VanDerWaalsContact O-CB 3.3Å; G97-S101 WeakPolarHBondContact O-CB 3.09Å; G97-S101 PolarHBondContact O-N 2.76Å; G97-S101 PolarHBondContact O-OG 2.6Å; G97-H124 PolarHBondContact O-CE1 3.07Å; G97-H124 PolarHBondContact O-NE2 2.89Å
98	L	98.4	Very high	93.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.5	-51.7	172.3	170.4	65.8	0	0	0	110.9	D94 I95 T96 S101 W102 L120 H124 V126 V210 L214	D94-L98 VanDerWaalsContact O-CB 3.28Å; D94-L98 WeakPolarHBondContact O-CB 3.4Å; D94-L98 PolarHBondContact O-N 3.24Å; I95-L98 WeakPolarHBondContact O-CB 3.45Å; I95-L98 PolarHBondContact O-N 2.95Å; T96-L98 VanDerWaalsContact C-N 3.32Å; T96-L98 PolarHBondContact O-N 3.5Å; L98-S101 PolarHBondContact O-N 2.96Å; L98-W102 WeakPolarHBondContact O-CB 3.39Å; L98-W102 PolarHBondContact O-N 3.43Å; L98-L120 HydrophobicContact CD1-CB 3.74Å; L98-H124 HydrophobicContact CB-CB 3.94Å; L98-H124 PolarHBondContact N-ND1 3.03Å; L98-V126 HydrophobicContact CB-CG2 4.34Å; L98-V126 HydrophobicContact CD2-CB 4.04Å; L98-V126 HydrophobicContact CD2-CG1 3.96Å; L98-V126 HydrophobicContact CD2-CG2 3.84Å; L98-V210 HydrophobicContact CD1-CG2 3.97Å; L98-V210 HydrophobicContact CD2-CG2 3.97Å; L98-L214 HydrophobicContact CD1-CD1 4.37Å; L98-L214 HydrophobicContact CD1-CD2 4.12Å; L98-L214 HydrophobicContact CD2-CD2 4.18Å; L98-L214 HydrophobicContact CD2-CG 4.47Å; L98-L214 HydrophobicContact CG-CD2 3.83Å; L98-L214 HydrophobicContact CG-CG 4.5Å
99	Q	97.9	Very high	93.7	Very high	85 Å²	85	67.2 Å²	67.2	40%	0.397	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-44.7	179.5	-73.3	173.8	-29.6	0	0	111.9	I95 T96 S101 W102 E103	I95-Q99 WeakPolarHBondContact O-CG 3.43Å; I95-Q99 PolarHBondContact O-N 2.87Å; T96-Q99 PolarHBondContact O-N 3.26Å; Q99-S101 VanDerWaalsContact C-N 3.3Å; Q99-S101 PolarHBondContact O-N 2.97Å; Q99-W102 WeakPolarHBondContact O-CB 3.32Å; Q99-W102 PolarHBondContact O-N 3.07Å; Q99-E103 WeakPolarHBondContact O-CG 3.39Å; Q99-E103 PolarHBondContact O-N 2.9Å
100	A	98.4	Very high	94.2	Very high	38 Å²	38	71.4 Å²	71.4	31%	0.314	42%	0.415	S	S	.	.	H	α-helix	trans	-62.6	-37.7	176.2	0	0	0	0	0	112.4	T96 R104	T96-A100 PolarHBondContact O-N 2.99Å; A100-R104 WeakPolarHBondContact O-CG 3.25Å; A100-R104 PolarHBondContact O-N 3.29Å
101	S	98.5	Very high	95	Very high	12 Å²	12	72.2 Å²	72.2	8%	0.084	42%	0.418	C	S	.	.	H	α-helix	trans	-72.5	-33.3	177.9	-57.2	0	0	0	0	112.5	G97 L98 Q99 R104 L105 H124	G97-S101 VanDerWaalsContact O-CB 3.3Å; G97-S101 WeakPolarHBondContact O-CB 3.09Å; G97-S101 PolarHBondContact O-N 2.76Å; G97-S101 PolarHBondContact O-OG 2.6Å; L98-S101 PolarHBondContact O-N 2.96Å; Q99-S101 VanDerWaalsContact C-N 3.3Å; Q99-S101 PolarHBondContact O-N 2.97Å; S101-R104 PolarHBondContact OG-NH2 3.15Å; S101-L105 PolarHBondContact O-N 3.46Å; S101-H124 WeakPolarHBondContact CB-NE2 3.49Å; S101-H124 PolarHBondContact OG-CE1 2.88Å; S101-H124 VanDerWaalsContact OG-CE1 3.3Å; S101-H124 PolarHBondContact OG-NE2 2.87Å
102	W	98.2	Very high	96	Very high	17 Å²	17	69.9 Å²	69.9	6%	0.064	40%	0.396	C	S	.	.	H	α-helix	trans	-63.5	-47.6	172.1	176.5	-123.6	0	0	0	112	L98 Q99 R104 L105 L106 I112 V117 L120 L214 I216 W222	L98-W102 WeakPolarHBondContact O-CB 3.39Å; L98-W102 PolarHBondContact O-N 3.43Å; Q99-W102 WeakPolarHBondContact O-CB 3.32Å; Q99-W102 PolarHBondContact O-N 3.07Å; W102-R104 VanDerWaalsContact C-N 3.33Å; W102-R104 PolarHBondContact O-N 2.78Å; W102-L105 HydrophobicContact CE3-CD2 3.96Å; W102-L105 HydrophobicContact CZ3-CD2 3.88Å; W102-L105 WeakPolarHBondContact O-CA 3.32Å; W102-L105 WeakPolarHBondContact O-CB 3.31Å; W102-L105 PolarHBondContact O-N 3.12Å; W102-L106 HydrophobicContact CD2-CD1 4.42Å; W102-L106 HydrophobicContact CD2-CD2 4.49Å; W102-L106 HydrophobicContact CD2-CG 4.24Å; W102-L106 HydrophobicContact CH2-CD2 4.2Å; W102-L106 HydrophobicContact CZ2-CD2 3.93Å; W102-L106 HydrophobicContact CZ2-CG 4.45Å; W102-L106 WeakPolarHBondContact O-CG 3.38Å; W102-L106 PolarHBondContact O-N 2.92Å; W102-I112 HydrophobicContact CH2-CD1 4.2Å; W102-I112 HydrophobicContact CH2-CG1 4.29Å; W102-I112 HydrophobicContact CH2-CG2 3.52Å; W102-I112 HydrophobicContact CZ3-CD1 3.92Å; W102-I112 HydrophobicContact CZ3-CG1 4.49Å; W102-I112 HydrophobicContact CZ3-CG2 3.91Å; W102-V117 HydrophobicContact CH2-CG2 4.28Å; W102-V117 HydrophobicContact CZ3-CG2 3.92Å; W102-L120 HydrophobicContact CB-CD1 4.33Å; W102-L120 HydrophobicContact CE3-CD1 3.74Å; W102-L120 HydrophobicContact CZ3-CD1 4.48Å; W102-L214 HydrophobicContact CB-CD1 4.46Å; W102-L214 HydrophobicContact CB-CD2 3.53Å; W102-L214 HydrophobicContact CD2-CB 4.41Å; W102-L214 HydrophobicContact CD2-CD1 3.86Å; W102-L214 HydrophobicContact CD2-CD2 4.1Å; W102-L214 HydrophobicContact CD2-CG 4.34Å; W102-L214 HydrophobicContact CE3-CD1 3.84Å; W102-L214 HydrophobicContact CG-CD1 4.17Å; W102-L214 HydrophobicContact CG-CD2 3.53Å; W102-L214 HydrophobicContact CG-CG 4.26Å; W102-L214 HydrophobicContact CZ2-CB 4.44Å; W102-L214 HydrophobicContact CZ3-CD1 4.24Å; W102-I216 HydrophobicContact CH2-CD1 4.14Å; W102-I216 HydrophobicContact CZ2-CD1 4.34Å; W102-I216 HydrophobicContact CZ2-CG1 4.49Å; W102-W222 HydrophobicContact CH2-CH2 4.33Å; W102-W222 HydrophobicContact CH2-CZ2 4.15Å; W102-W222 HydrophobicContact CZ2-CE3 4.42Å; W102-W222 AromaticContact CZ2-CH2 3.44Å; W102-W222 HydrophobicContact CZ2-CH2 3.44Å; W102-W222 VanDerWaalsContact CZ2-CH2 3.44Å; W102-W222 AromaticContact CZ2-CZ2 3.49Å; W102-W222 HydrophobicContact CZ2-CZ2 3.49Å; W102-W222 VanDerWaalsContact CZ2-CZ2 3.49Å; W102-W222 AromaticContact CZ2-CZ3 3.93Å; W102-W222 HydrophobicContact CZ2-CZ3 3.93Å
103	E	97.9	Very high	96.9	Very high	124 Å²	124	65.7 Å²	65.7	58%	0.579	37%	0.37	S	S	*	.	H	α-helix	trans	-57.2	-45.6	175.6	-72.2	173.8	-178.6	0	0	111.8	Q99 L105 L106 T107	Q99-E103 WeakPolarHBondContact O-CG 3.39Å; Q99-E103 PolarHBondContact O-N 2.9Å; E103-L105 VanDerWaalsContact C-N 3.3Å; E103-L105 PolarHBondContact O-N 3.09Å; E103-L106 PolarHBondContact O-N 2.9Å; E103-T107 PolarHBondContact O-N 3.29Å; E103-T107 PolarHBondContact O-OG1 3.18Å
104	R	98.2	Very high	97.3	Very high	158 Å²	158	66.5 Å²	66.5	60%	0.596	37%	0.369	S	S	*	.	H	α-helix	trans	-59.6	-40.5	174.4	-69.4	-168.2	-51.7	-92.7	1.5	112.3	A100 S101 W102 T107 S108	A100-R104 WeakPolarHBondContact O-CG 3.25Å; A100-R104 PolarHBondContact O-N 3.29Å; S101-R104 PolarHBondContact OG-NH2 3.15Å; W102-R104 VanDerWaalsContact C-N 3.33Å; W102-R104 PolarHBondContact O-N 2.78Å; R104-T107 PolarHBondContact O-N 3.4Å; R104-S108 WeakPolarHBondContact O-CB 3.43Å; R104-S108 PolarHBondContact O-N 3.19Å
105	L	97.7	Very high	97.3	Very high	13 Å²	13	66.8 Å²	66.8	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-43.6	176.6	-177.6	64.1	0	0	0	110.9	S101 W102 E103 T107 S108 R110 I112 L120	S101-L105 PolarHBondContact O-N 3.46Å; W102-L105 HydrophobicContact CE3-CD2 3.96Å; W102-L105 HydrophobicContact CZ3-CD2 3.88Å; W102-L105 WeakPolarHBondContact O-CA 3.32Å; W102-L105 WeakPolarHBondContact O-CB 3.31Å; W102-L105 PolarHBondContact O-N 3.12Å; E103-L105 VanDerWaalsContact C-N 3.3Å; E103-L105 PolarHBondContact O-N 3.09Å; L105-T107 PolarHBondContact O-N 3.11Å; L105-S108 PolarHBondContact O-N 3.07Å; L105-S108 PolarHBondContact O-OG 2.99Å; L105-R110 HydrophobicContact CD1-CB 3.83Å; L105-R110 HydrophobicContact CD1-CG 4.5Å; L105-I112 HydrophobicContact CD1-CD1 4.45Å; L105-I112 HydrophobicContact CD2-CD1 3.58Å; L105-I112 HydrophobicContact CG-CD1 3.59Å; L105-L120 HydrophobicContact CD2-CD1 3.93Å
106	L	96.8	Very high	97.4	Very high	58 Å²	58	64.8 Å²	64.8	30%	0.304	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-43.1	176.7	-65.2	178.6	0	0	0	112.2	W102 E103 S108 I112 W222	W102-L106 HydrophobicContact CD2-CD1 4.42Å; W102-L106 HydrophobicContact CD2-CD2 4.49Å; W102-L106 HydrophobicContact CD2-CG 4.24Å; W102-L106 HydrophobicContact CH2-CD2 4.2Å; W102-L106 HydrophobicContact CZ2-CD2 3.93Å; W102-L106 HydrophobicContact CZ2-CG 4.45Å; W102-L106 WeakPolarHBondContact O-CG 3.38Å; W102-L106 PolarHBondContact O-N 2.92Å; E103-L106 PolarHBondContact O-N 2.9Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.05Å; L106-I112 HydrophobicContact CD2-CD1 4.16Å; L106-I112 HydrophobicContact CD2-CG1 4.26Å; L106-W222 HydrophobicContact CD1-CZ2 4.38Å; L106-W222 HydrophobicContact CD2-CZ2 3.51Å
107	T	97.3	Very high	97.5	Very high	127 Å²	127	59.6 Å²	59.6	78%	0.779	33%	0.326	S	S	*	.	H	α-helix	trans	-71.1	-25.2	177.8	-53.2	0	0	0	0	112.9	E103 R104 L105 G109	E103-T107 PolarHBondContact O-N 3.29Å; E103-T107 PolarHBondContact O-OG1 3.18Å; R104-T107 PolarHBondContact O-N 3.4Å; L105-T107 PolarHBondContact O-N 3.11Å; T107-G109 PolarHBondContact O-N 3.45Å
108	S	96.9	Very high	97.5	Very high	65 Å²	65	61.5 Å²	61.5	46%	0.455	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.4	-177.7	75.5	0	0	0	0	114.8	R104 L105 L106 R110	R104-S108 WeakPolarHBondContact O-CB 3.43Å; R104-S108 PolarHBondContact O-N 3.19Å; L105-S108 PolarHBondContact O-N 3.07Å; L105-S108 PolarHBondContact O-OG 2.99Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.05Å; S108-R110 PolarHBondContact O-N 3.3Å; S108-R110 WeakPolarHBondContact OG-CB 3.37Å; S108-R110 WeakPolarHBondContact OG-CG 3.22Å; S108-R110 PolarHBondContact OG-N 3.44Å
109	G	92.9	Very high	97.5	Very high	71 Å²	71	65.1 Å²	65.1	73%	0.732	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	2.5	-174.1	0	0	0	0	0	114.8	T107	T107-G109 PolarHBondContact O-N 3.45Å
110	R	95.4	Very high	97.5	Very high	148 Å²	148	62 Å²	62	56%	0.558	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-63.3	145.1	173.1	-69.8	176.5	66	-165.9	-1.8	110.5	L105 S108 I112	L105-R110 HydrophobicContact CD1-CB 3.83Å; L105-R110 HydrophobicContact CD1-CG 4.5Å; S108-R110 PolarHBondContact O-N 3.3Å; S108-R110 WeakPolarHBondContact OG-CB 3.37Å; S108-R110 WeakPolarHBondContact OG-CG 3.22Å; S108-R110 PolarHBondContact OG-N 3.44Å; R110-I112 PolarHBondContact O-N 2.94Å
111	T	95.9	Very high	97.5	Very high	111 Å²	111	60.2 Å²	60.2	68%	0.681	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-62	133.5	176.3	-49.1	0	0	0	0	111.2	T113	T111-T113 HydrophobicContact CG2-CG2 3.92Å
112	I	98	Very high	97.5	Very high	18 Å²	18	63.6 Å²	63.6	9%	0.092	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-86.9	119.3	174.5	-55.5	-50	0	0	0	108.7	W102 L105 L106 R110 V117 W222 L224	W102-I112 HydrophobicContact CH2-CD1 4.2Å; W102-I112 HydrophobicContact CH2-CG1 4.29Å; W102-I112 HydrophobicContact CH2-CG2 3.52Å; W102-I112 HydrophobicContact CZ3-CD1 3.92Å; W102-I112 HydrophobicContact CZ3-CG1 4.49Å; W102-I112 HydrophobicContact CZ3-CG2 3.91Å; L105-I112 HydrophobicContact CD1-CD1 4.45Å; L105-I112 HydrophobicContact CD2-CD1 3.58Å; L105-I112 HydrophobicContact CG-CD1 3.59Å; L106-I112 HydrophobicContact CD2-CD1 4.16Å; L106-I112 HydrophobicContact CD2-CG1 4.26Å; R110-I112 PolarHBondContact O-N 2.94Å; I112-V117 HydrophobicContact CG2-CG2 4.3Å; I112-W222 HydrophobicContact CB-CB 4.22Å; I112-W222 HydrophobicContact CB-CG 3.87Å; I112-W222 VanDerWaalsContact CG1-CD1 3.43Å; I112-W222 HydrophobicContact CG1-CG 4.14Å; I112-W222 HydrophobicContact CG2-CB 4.16Å; I112-W222 HydrophobicContact CG2-CD2 4.21Å; I112-W222 HydrophobicContact CG2-CG 3.84Å; I112-L224 HydrophobicContact CG2-CD1 3.79Å
113	T	97.9	Very high	97.5	Very high	53 Å²	53	68.7 Å²	68.7	33%	0.325	36%	0.363	S	S	.	.			trans	-134.8	168.7	179.8	69.9	0	0	0	0	109.4	T111 Q115 T116 V117	T111-T113 HydrophobicContact CG2-CG2 3.92Å; T113-Q115 PolarHBondContact O-N 3.31Å; T113-Q115 PolarHBondContact OG1-N 2.9Å; T113-T116 PolarHBondContact N-OG1 3.43Å; T113-T116 PolarHBondContact O-N 3.17Å; T113-T116 PolarHBondContact O-OG1 2.94Å; T113-T116 VanDerWaalsContact O-OG1 3.1Å; T113-T116 PolarHBondContact OG1-N 3.39Å; T113-V117 WeakPolarHBondContact O-CG2 3.42Å; T113-V117 PolarHBondContact O-N 3.33Å
114	F	98	Very high	97.5	Very high	36 Å²	36	64.3 Å²	64.3	16%	0.158	34%	0.343	C	S	.	.	H	α-helix	trans	-54	-41.3	170.1	167	-104.9	0	0	0	111.7	V117 K118 F182 Y211 I228 V248	F114-V117 PolarHBondContact O-N 2.95Å; F114-K118 HydrophobicContact CE1-CB 4.43Å; F114-K118 HydrophobicContact CE1-CD 3.86Å; F114-K118 HydrophobicContact CE2-CB 4.44Å; F114-K118 HydrophobicContact CZ-CB 4.29Å; F114-K118 HydrophobicContact CZ-CD 3.86Å; F114-K118 HydrophobicContact CZ-CG 4.47Å; F114-K118 VanDerWaalsContact O-CB 3.31Å; F114-K118 WeakPolarHBondContact O-CB 3.42Å; F114-K118 PolarHBondContact O-N 2.98Å; F114-F182 HydrophobicContact CE2-CE2 4.31Å; F114-F182 HydrophobicContact CZ-CE2 4.47Å; F114-Y211 WeakPolarHBondContact CD2-OH 3.35Å; F114-I228 HydrophobicContact CD2-CG2 3.78Å; F114-I228 HydrophobicContact CE2-CB 4.4Å; F114-I228 HydrophobicContact CE2-CD1 4.1Å; F114-I228 HydrophobicContact CE2-CG2 3.68Å; F114-I228 HydrophobicContact CZ-CD1 4.37Å; F114-V248 HydrophobicContact CB-CG1 4.12Å; F114-V248 HydrophobicContact CB-CG2 4.19Å; F114-V248 HydrophobicContact CD1-CB 4.16Å; F114-V248 HydrophobicContact CD1-CG1 3.4Å; F114-V248 HydrophobicContact CD1-CG2 3.76Å; F114-V248 HydrophobicContact CD2-CG2 3.95Å; F114-V248 HydrophobicContact CE1-CB 4.43Å; F114-V248 HydrophobicContact CE1-CG1 3.98Å; F114-V248 HydrophobicContact CE1-CG2 4.01Å; F114-V248 HydrophobicContact CE2-CG2 4.23Å; F114-V248 HydrophobicContact CG-CB 4.46Å; F114-V248 HydrophobicContact CG-CG1 3.91Å; F114-V248 HydrophobicContact CG-CG2 3.67Å; F114-V248 HydrophobicContact CZ-CG2 4.22Å
115	Q	98.2	Very high	97.5	Very high	87 Å²	87	58.6 Å²	58.6	41%	0.407	33%	0.333	S	S	.	.	H	α-helix	trans	-66.6	-41.3	-176	-175.3	53.9	34.7	0	0	112.1	T113 V117 K118 E119	T113-Q115 PolarHBondContact O-N 3.31Å; T113-Q115 PolarHBondContact OG1-N 2.9Å; Q115-V117 VanDerWaalsContact C-N 3.33Å; Q115-V117 PolarHBondContact O-N 3.32Å; Q115-K118 PolarHBondContact O-N 3.24Å; Q115-E119 PolarHBondContact NE2-OE1 3.41Å; Q115-E119 WeakPolarHBondContact O-CG 3.15Å; Q115-E119 PolarHBondContact O-N 3.45Å
116	T	98	Very high	97.5	Very high	16 Å²	16	58.2 Å²	58.2	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-67.4	-35.4	177	57.1	0	0	0	0	111.9	T113 L120	T113-T116 PolarHBondContact N-OG1 3.43Å; T113-T116 PolarHBondContact O-N 3.17Å; T113-T116 PolarHBondContact O-OG1 2.94Å; T113-T116 VanDerWaalsContact O-OG1 3.1Å; T113-T116 PolarHBondContact OG1-N 3.39Å; T116-L120 WeakPolarHBondContact O-CG 2.75Å; T116-L120 PolarHBondContact O-N 3.19Å
117	V	98.4	Very high	97.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-72.1	-38.4	174.8	-179.9	0	0	0	0	111.9	W102 I112 T113 F114 Q115 E119 L120 A121 V210 Y211 L214 I216 L224	W102-V117 HydrophobicContact CH2-CG2 4.28Å; W102-V117 HydrophobicContact CZ3-CG2 3.92Å; I112-V117 HydrophobicContact CG2-CG2 4.3Å; T113-V117 WeakPolarHBondContact O-CG2 3.42Å; T113-V117 PolarHBondContact O-N 3.33Å; F114-V117 PolarHBondContact O-N 2.95Å; Q115-V117 VanDerWaalsContact C-N 3.33Å; Q115-V117 PolarHBondContact O-N 3.32Å; V117-E119 VanDerWaalsContact C-N 3.34Å; V117-E119 PolarHBondContact O-N 3.46Å; V117-L120 WeakPolarHBondContact O-CB 3.3Å; V117-L120 PolarHBondContact O-N 2.95Å; V117-A121 PolarHBondContact O-N 3.09Å; V117-V210 HydrophobicContact CG1-CB 4.44Å; V117-V210 HydrophobicContact CG1-CG1 3.93Å; V117-V210 HydrophobicContact CG1-CG2 3.65Å; V117-Y211 HydrophobicContact CB-CE1 3.99Å; V117-Y211 HydrophobicContact CG1-CD1 3.7Å; V117-Y211 HydrophobicContact CG1-CE1 3.54Å; V117-Y211 HydrophobicContact CG2-CE1 4.43Å; V117-L214 HydrophobicContact CG1-CD1 3.83Å; V117-I216 HydrophobicContact CG1-CD1 4.31Å; V117-I216 HydrophobicContact CG2-CD1 3.99Å; V117-L224 HydrophobicContact CG2-CD1 4.39Å
118	K	98.5	Very high	97.6	Very high	55 Å²	55	52.2 Å²	52.2	24%	0.239	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-42.2	173.9	-179.7	178.7	177.5	175.7	0	111.3	F114 Q115 L120 A121 L122 F182 T183	F114-K118 HydrophobicContact CE1-CB 4.43Å; F114-K118 HydrophobicContact CE1-CD 3.86Å; F114-K118 HydrophobicContact CE2-CB 4.44Å; F114-K118 HydrophobicContact CZ-CB 4.29Å; F114-K118 HydrophobicContact CZ-CD 3.86Å; F114-K118 HydrophobicContact CZ-CG 4.47Å; F114-K118 VanDerWaalsContact O-CB 3.31Å; F114-K118 WeakPolarHBondContact O-CB 3.42Å; F114-K118 PolarHBondContact O-N 2.98Å; Q115-K118 PolarHBondContact O-N 3.24Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 2.97Å; K118-A121 WeakPolarHBondContact O-CB 3.38Å; K118-A121 PolarHBondContact O-N 2.83Å; K118-L122 HydrophobicContact CG-CD1 4.18Å; K118-L122 WeakPolarHBondContact O-CG 3.34Å; K118-L122 PolarHBondContact O-N 3.44Å; K118-F182 HydrophobicContact CG-CE2 4.19Å; K118-F182 HydrophobicContact CG-CZ 4.32Å; K118-T183 HydrophobicContact CG-CG2 4.39Å
119	E	98.4	Very high	97.6	Very high	75 Å²	75	49.1 Å²	49.1	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-42.9	174.7	-76.8	164.4	-161.2	0	0	112	Q115 V117 A121 L122 N123	Q115-E119 PolarHBondContact NE2-OE1 3.41Å; Q115-E119 WeakPolarHBondContact O-CG 3.15Å; Q115-E119 PolarHBondContact O-N 3.45Å; V117-E119 VanDerWaalsContact C-N 3.34Å; V117-E119 PolarHBondContact O-N 3.46Å; E119-A121 VanDerWaalsContact C-N 3.35Å; E119-L122 PolarHBondContact O-N 2.99Å; E119-N123 WeakPolarHBondContact O-CB 3.46Å; E119-N123 PolarHBondContact O-N 2.77Å; E119-N123 PolarHBondContact O-ND2 2.97Å; E119-N123 VanDerWaalsContact O-ND2 3.12Å
120	L	98.5	Very high	97.9	Very high	20 Å²	20	46.4 Å²	46.4	11%	0.105	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-44.8	173.6	-69.2	-179.9	0	0	0	111.7	L98 W102 L105 T116 V117 K118 L122 N123 H124	L98-L120 HydrophobicContact CD1-CB 3.74Å; W102-L120 HydrophobicContact CB-CD1 4.33Å; W102-L120 HydrophobicContact CE3-CD1 3.74Å; W102-L120 HydrophobicContact CZ3-CD1 4.48Å; L105-L120 HydrophobicContact CD2-CD1 3.93Å; T116-L120 WeakPolarHBondContact O-CG 2.75Å; T116-L120 PolarHBondContact O-N 3.19Å; V117-L120 WeakPolarHBondContact O-CB 3.3Å; V117-L120 PolarHBondContact O-N 2.95Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 2.97Å; L120-L122 VanDerWaalsContact C-N 3.35Å; L120-L122 PolarHBondContact O-N 3.41Å; L120-N123 PolarHBondContact O-N 2.85Å; L120-H124 PolarHBondContact O-CD2 3.03Å; L120-H124 PolarHBondContact O-N 2.9Å; L120-H124 VanDerWaalsContact O-N 3.15Å
121	A	98.4	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-45.9	177.7	0	0	0	0	0	112.5	V117 K118 E119 H124 G125 V126 L127 F182 V210	V117-A121 PolarHBondContact O-N 3.09Å; K118-A121 WeakPolarHBondContact O-CB 3.38Å; K118-A121 PolarHBondContact O-N 2.83Å; E119-A121 VanDerWaalsContact C-N 3.35Å; A121-H124 PolarHBondContact O-N 2.91Å; A121-G125 PolarHBondContact O-N 2.83Å; A121-V126 WeakPolarHBondContact CB-O 3.49Å; A121-V126 PolarHBondContact O-N 2.89Å; A121-L127 HydrophobicContact CB-CD2 4.49Å; A121-F182 HydrophobicContact CB-CE1 3.7Å; A121-F182 HydrophobicContact CB-CZ 3.68Å; A121-V210 HydrophobicContact CB-CB 3.9Å; A121-V210 HydrophobicContact CB-CG1 3.94Å; A121-V210 HydrophobicContact CB-CG2 3.98Å
122	L	98.4	Very high	98.2	Very high	83 Å²	83	35.1 Å²	35.1	44%	0.435	19%	0.188	S	C	.	.	H	α-helix	trans	-61.4	-46.8	176.8	-72.3	168.4	0	0	0	112	K118 E119 L120 H124 G125 L127 T183	K118-L122 HydrophobicContact CG-CD1 4.18Å; K118-L122 WeakPolarHBondContact O-CG 3.34Å; K118-L122 PolarHBondContact O-N 3.44Å; E119-L122 PolarHBondContact O-N 2.99Å; L120-L122 VanDerWaalsContact C-N 3.35Å; L120-L122 PolarHBondContact O-N 3.41Å; L122-H124 PolarHBondContact O-N 2.79Å; L122-G125 PolarHBondContact O-N 3.34Å; L122-L127 HydrophobicContact CD2-CD2 3.95Å; L122-L127 HydrophobicContact CG-CD2 4.48Å; L122-T183 HydrophobicContact CD2-CG2 4.09Å
123	N	98.3	Very high	98.2	Very high	125 Å²	125	34.3 Å²	34.3	67%	0.668	18%	0.183	S	C	*	.	H	α-helix	trans	-64.7	-26.1	-178	-70.1	-23.7	0	0	0	113.3	E119 L120	E119-N123 WeakPolarHBondContact O-CB 3.46Å; E119-N123 PolarHBondContact O-N 2.77Å; E119-N123 PolarHBondContact O-ND2 2.97Å; E119-N123 VanDerWaalsContact O-ND2 3.12Å; L120-N123 PolarHBondContact O-N 2.85Å
124	H	98.4	Very high	98.1	Very high	32 Å²	32	36.2 Å²	36.2	15%	0.148	19%	0.189	C	C	.	.	H	α-helix	trans	-109.5	3.3	-177.3	-67.2	-69.4	0	0	0	113.6	G93 D94 G97 L98 S101 L120 A121 L122 V126	G93-H124 CarbonylContact C-O 3.52Å; G93-H124 WeakPolarHBondContact CA-O 3.5Å; D94-H124 HydrophobicContact CB-CB 4.4Å; D94-H124 PolarHBondContact N-O 3.08Å; D94-H124 IonicContact OD2-ND1 2.7Å; G97-H124 PolarHBondContact O-CE1 3.07Å; G97-H124 PolarHBondContact O-NE2 2.89Å; L98-H124 HydrophobicContact CB-CB 3.94Å; L98-H124 PolarHBondContact N-ND1 3.03Å; S101-H124 WeakPolarHBondContact CB-NE2 3.49Å; S101-H124 PolarHBondContact OG-CE1 2.88Å; S101-H124 VanDerWaalsContact OG-CE1 3.3Å; S101-H124 PolarHBondContact OG-NE2 2.87Å; L120-H124 PolarHBondContact O-CD2 3.03Å; L120-H124 PolarHBondContact O-N 2.9Å; L120-H124 VanDerWaalsContact O-N 3.15Å; A121-H124 PolarHBondContact O-N 2.91Å; L122-H124 PolarHBondContact O-N 2.79Å; H124-V126 HydrophobicContact CB-CG2 4.15Å; H124-V126 PolarHBondContact O-N 2.91Å
125	G	97.6	Very high	98.1	Very high	37 Å²	37	35.6 Å²	35.6	38%	0.381	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	25.3	-179.1	0	0	0	0	0	114.3	G93 A121 L122 L127	G93-G125 WeakPolarHBondContact CA-O 3.35Å; A121-G125 PolarHBondContact O-N 2.83Å; L122-G125 PolarHBondContact O-N 3.34Å; G125-L127 PolarHBondContact O-N 2.86Å
126	V	97.9	Very high	98	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.03	19%	0.19	C	C	.	.			trans	-93.6	72.9	178.6	-176.1	0	0	0	0	108.8	I95 L98 A121 H124 V210 Y213	I95-V126 HydrophobicContact CG1-CG2 4.44Å; L98-V126 HydrophobicContact CB-CG2 4.34Å; L98-V126 HydrophobicContact CD2-CB 4.04Å; L98-V126 HydrophobicContact CD2-CG1 3.96Å; L98-V126 HydrophobicContact CD2-CG2 3.84Å; A121-V126 WeakPolarHBondContact CB-O 3.49Å; A121-V126 PolarHBondContact O-N 2.89Å; H124-V126 HydrophobicContact CB-CG2 4.15Å; H124-V126 PolarHBondContact O-N 2.91Å; V126-V210 HydrophobicContact CG1-CB 4.45Å; V126-Y213 HydrophobicContact CG1-CD2 3.52Å; V126-Y213 HydrophobicContact CG1-CE2 3.67Å
127	L	97.4	Very high	97.9	Very high	41 Å²	41	37.7 Å²	37.7	22%	0.215	21%	0.205	C	C	.	.			trans	-105.1	-7	-165.3	-56.8	-177.8	0	0	0	114.8	A121 L122 G125 K180 D181 F182 T183	A121-L127 HydrophobicContact CB-CD2 4.49Å; L122-L127 HydrophobicContact CD2-CD2 3.95Å; L122-L127 HydrophobicContact CG-CD2 4.48Å; G125-L127 PolarHBondContact O-N 2.86Å; L127-K180 CarbonylContact C-O 3.44Å; L127-K180 VanDerWaalsContact C-O 3.27Å; L127-D181 HydrophobicContact CB-CB 4.46Å; L127-D181 CarbonylContact O-C 3.48Å; L127-D181 VanDerWaalsContact O-CA 3.23Å; L127-D181 WeakPolarHBondContact O-CA 3.49Å; L127-F182 HydrophobicContact CD2-CE1 4.45Å; L127-F182 WeakPolarHBondContact O-CD1 3.36Å; L127-F182 PolarHBondContact O-N 2.98Å; L127-T183 HydrophobicContact CD2-CG2 4.44Å
128	T	97.7	Very high	97.7	Very high	19 Å²	19	38.9 Å²	38.9	12%	0.117	22%	0.217	C	C	.	.			trans	-66.8	154.6	179.3	52.1	0	0	0	0	111.4	A91 N179 K180 D209	A91-T128 HydrophobicContact CB-CG2 4.24Å; T128-N179 WeakPolarHBondContact CA-O 3.49Å; T128-K180 PolarHBondContact N-O 2.89Å; T128-D209 WeakPolarHBondContact CB-OD2 3.35Å; T128-D209 VanDerWaalsContact O-CB 3.31Å; T128-D209 WeakPolarHBondContact O-CB 3.44Å; T128-D209 PolarHBondContact O-N 3.01Å; T128-D209 PolarHBondContact OG1-OD2 3.45Å
129	G	98.1	Very high	97.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	173.1	174.7	0	0	0	0	0	110.7	Y178 N179	G129-Y178 VanDerWaalsContact O-CA 3.25Å; G129-Y178 WeakPolarHBondContact O-CA 3.47Å; G129-Y178 WeakPolarHBondContact O-CD1 3.41Å; G129-N179 VanDerWaalsContact C-OD1 3.23Å; G129-N179 WeakPolarHBondContact CA-OD1 3.48Å; G129-N179 PolarHBondContact N-O 2.83Å; G129-N179 PolarHBondContact N-OD1 2.77Å; G129-N179 PolarHBondContact O-N 2.82Å; G129-N179 PolarHBondContact O-OD1 2.99Å; G129-N179 VanDerWaalsContact O-OD1 3.08Å
130	K	98.5	Very high	97.5	Very high	14 Å²	14	46 Å²	46	6%	0.061	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139.4	-176.7	71.3	-160.7	82.3	-174.1	0	113.4	L132 C176 S177 Y178 F206 K207 D209	K130-L132 HydrophobicContact CD-CD2 3.81Å; K130-L132 HydrophobicContact CG-CD2 3.68Å; K130-L132 HydrophobicContact CG-CG 4.22Å; K130-C176 HydrophobicContact CB-CB 4.4Å; K130-C176 HydrophobicContact CD-CB 3.97Å; K130-C176 HydrophobicContact CG-CB 4.42Å; K130-S177 CarbonylContact C-O 3.27Å; K130-S177 WeakPolarHBondContact CA-O 3.44Å; K130-S177 WeakPolarHBondContact CB-O 3.47Å; K130-Y178 HydrophobicContact CB-CD1 3.87Å; K130-Y178 HydrophobicContact CB-CD2 4.45Å; K130-Y178 HydrophobicContact CB-CE1 3.93Å; K130-Y178 HydrophobicContact CB-CE2 4.48Å; K130-Y178 HydrophobicContact CB-CG 4.15Å; K130-Y178 HydrophobicContact CD-CE1 3.89Å; K130-Y178 HydrophobicContact CG-CE1 4.49Å; K130-Y178 PolarHBondContact NZ-OH 3.34Å; K130-F206 CarbonylContact O-C 3.42Å; K130-F206 WeakPolarHBondContact O-CA 3.34Å; K130-K207 PolarHBondContact N-O 2.78Å; K130-K207 PolarHBondContact O-N 2.96Å; K130-D209 WeakPolarHBondContact CE-OD1 3.43Å; K130-D209 IonicContact NZ-OD1 3.68Å; K130-D209 PolarHBondContact NZ-OD1 2.81Å
131	W	98.8	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.6	160.2	-80.6	113.1	0	0	0	109.4	C176 S177 V188 D192 I195 L204 F206 I244	W131-C176 WeakPolarHBondContact O-CA 3.32Å; W131-S177 PolarHBondContact N-O 2.98Å; W131-S177 PolarHBondContact O-N 2.8Å; W131-V188 HydrophobicContact CZ2-CG1 3.84Å; W131-V188 PolarHBondContact NE1-O 2.74Å; W131-D192 HydrophobicContact CZ2-CB 4.18Å; W131-I195 HydrophobicContact CB-CD1 3.72Å; W131-I195 HydrophobicContact CG-CD1 4.08Å; W131-L204 HydrophobicContact CD2-CB 4.06Å; W131-L204 HydrophobicContact CD2-CD1 4.47Å; W131-L204 HydrophobicContact CE3-CB 3.34Å; W131-L204 HydrophobicContact CZ3-CB 3.76Å; W131-L204 WeakPolarHBondContact CZ3-O 3.36Å; W131-F206 AromaticContact CD1-CD2 3.83Å; W131-F206 HydrophobicContact CD2-CB 3.91Å; W131-F206 AromaticContact CD2-CD2 3.79Å; W131-F206 HydrophobicContact CD2-CD2 3.79Å; W131-F206 HydrophobicContact CD2-CG 4.35Å; W131-F206 AromaticContact CE2-CD2 3.76Å; W131-F206 HydrophobicContact CE3-CB 3.66Å; W131-F206 HydrophobicContact CE3-CD2 4.41Å; W131-F206 AromaticContact CG-CD2 3.87Å; W131-F206 HydrophobicContact CG-CD2 3.87Å; W131-F206 HydrophobicContact CH2-CB 3.92Å; W131-F206 HydrophobicContact CZ2-CB 4.13Å; W131-F206 HydrophobicContact CZ2-CD2 4.38Å; W131-F206 HydrophobicContact CZ3-CB 3.67Å; W131-F206 AromaticContact NE1-CD2 3.76Å; W131-I244 HydrophobicContact CH2-CG2 4.14Å; W131-I244 HydrophobicContact CZ2-CG2 4.39Å
132	L	98.7	Very high	97.4	Very high	22 Å²	22	46.1 Å²	46.1	12%	0.115	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.8	176.9	-56	173.5	0	0	0	109.5	K130 V174 I175 C176 L204 S205 K207	K130-L132 HydrophobicContact CD-CD2 3.81Å; K130-L132 HydrophobicContact CG-CD2 3.68Å; K130-L132 HydrophobicContact CG-CG 4.22Å; L132-V174 HydrophobicContact CB-CG2 4.31Å; L132-V174 HydrophobicContact CD2-CG2 3.91Å; L132-I175 WeakPolarHBondContact CA-O 3.49Å; L132-C176 HydrophobicContact CD2-CB 4.33Å; L132-C176 WeakPolarHBondContact CD2-SG 3.36Å; L132-L204 WeakPolarHBondContact O-CA 3.27Å; L132-S205 VanDerWaalsContact CB-O 3.3Å; L132-S205 WeakPolarHBondContact CB-O 3.49Å; L132-S205 WeakPolarHBondContact CG-O 3.43Å; L132-S205 PolarHBondContact N-O 3.17Å; L132-S205 PolarHBondContact O-N 3.37Å; L132-K207 HydrophobicContact CD1-CB 3.88Å; L132-K207 HydrophobicContact CD1-CD 4.48Å; L132-K207 HydrophobicContact CG-CB 4.45Å
133	M	97.1	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.7	165.6	60.9	-172.2	83.6	0	0	110.2	L135 A144 V148 V174 I175 I195 V200 L204	M133-L135 HydrophobicContact SD-CD1 4.47Å; M133-A144 HydrophobicContact SD-CB 4.47Å; M133-V148 HydrophobicContact CE-CG1 4.09Å; M133-V174 WeakPolarHBondContact O-CA 3.33Å; M133-I175 HydrophobicContact CG-CB 3.56Å; M133-I175 HydrophobicContact CG-CD1 4.07Å; M133-I175 HydrophobicContact CG-CG1 4.19Å; M133-I175 HydrophobicContact CG-CG2 4.4Å; M133-I175 PolarHBondContact N-O 2.88Å; M133-I175 PolarHBondContact O-N 2.88Å; M133-I175 HydrophobicContact SD-CB 4.07Å; M133-I175 HydrophobicContact SD-CD1 3.86Å; M133-I175 HydrophobicContact SD-CG2 4.42Å; M133-I195 HydrophobicContact CE-CG2 3.7Å; M133-V200 HydrophobicContact CE-CG1 4.1Å; M133-V200 HydrophobicContact SD-CG1 3.88Å; M133-L204 HydrophobicContact CB-CD2 3.61Å; M133-L204 HydrophobicContact CE-CD2 3.88Å; M133-L204 HydrophobicContact CG-CD2 4.49Å; M133-L204 HydrophobicContact SD-CD2 4.5Å
134	H	97.3	Very high	97.4	Very high	94 Å²	94	42.2 Å²	42.2	44%	0.435	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122	-178.8	-64.9	81.1	0	0	0	110.2	K172 H173	H134-K172 HydrophobicContact CB-CB 4.03Å; H134-K172 HydrophobicContact CB-CD 4.01Å; H134-H173 CarbonylContact C-O 3.59Å; H134-H173 VanDerWaalsContact CA-O 3.23Å; H134-H173 WeakPolarHBondContact CA-O 3.41Å
135	L	97	Very high	97.4	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.12	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.8	-174.4	-67.6	165.7	0	0	0	110.4	M133 V141 A144 K172 H173 I175 C202	M133-L135 HydrophobicContact SD-CD1 4.47Å; L135-V141 HydrophobicContact CB-CB 3.95Å; L135-V141 HydrophobicContact CB-CG2 4.36Å; L135-V141 HydrophobicContact CD1-CB 4.43Å; L135-A144 HydrophobicContact CD1-CB 3.34Å; L135-K172 CarbonylContact O-C 3.5Å; L135-K172 WeakPolarHBondContact O-CA 3.28Å; L135-K172 WeakPolarHBondContact O-CB 3.18Å; L135-H173 PolarHBondContact N-O 3.31Å; L135-H173 PolarHBondContact O-N 2.88Å; L135-I175 HydrophobicContact CD1-CD1 3.92Å; L135-C202 HydrophobicContact CD2-CB 4.27Å
136	D	96.2	Very high	97.5	Very high	87 Å²	87	42.6 Å²	42.6	47%	0.465	22%	0.216	S	C	.	.			trans	-63.3	150.2	172.2	-53.3	-54.4	0	0	0	110.1	K172	D136-K172 WeakPolarHBondContact OD1-CE 3.38Å; D136-K172 WeakPolarHBondContact OD1-CG 3.29Å; D136-K172 IonicContact OD1-NZ 3.93Å
137	S	95.3	Very high	97.5	Very high	59 Å²	59	43.4 Å²	43.4	41%	0.413	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	149.4	177.7	-156.8	0	0	0	0	111.6	H173	S137-H173 WeakPolarHBondContact CB-NE2 3.24Å; S137-H173 PolarHBondContact OG-NE2 2.9Å
138	G	95.1	Very high	97.6	Very high	25 Å²	25	41.4 Å²	41.4	26%	0.258	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	112.5	-156.5	-177.8	0	0	0	0	0	113.7	K140 V141 D142	G138-K140 VanDerWaalsContact C-N 3.25Å; G138-K140 PolarHBondContact O-N 3.23Å; G138-K140 VanDerWaalsContact O-N 3.1Å; G138-V141 WeakPolarHBondContact O-CG1 3.47Å; G138-V141 PolarHBondContact O-N 3.03Å; G138-D142 PolarHBondContact O-N 3.47Å
139	F	96.1	Very high	97.6	Very high	159 Å²	159	40.5 Å²	40.5	70%	0.697	21%	0.206	S	C	*	.	H	α-helix	trans	-61.3	-28.6	-166.8	77	-91	0	0	0	114.7	H143	F139-H143 VanDerWaalsContact O-CB 3.31Å; F139-H143 WeakPolarHBondContact O-CB 3.23Å; F139-H143 PolarHBondContact O-N 2.84Å
140	K	96.1	Very high	97.6	Very high	121 Å²	121	44.1 Å²	44.1	53%	0.526	22%	0.22	S	C	.	.	H	α-helix	trans	-68.5	-43.2	-178.5	-69.5	-177.5	-177.9	171.7	0	112.1	G138 A144	G138-K140 VanDerWaalsContact C-N 3.25Å; G138-K140 PolarHBondContact O-N 3.23Å; G138-K140 VanDerWaalsContact O-N 3.1Å; K140-A144 WeakPolarHBondContact O-CB 3.44Å; K140-A144 PolarHBondContact O-N 3.18Å
141	V	97.9	Very high	97.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-41.6	175.9	61.3	0	0	0	0	110.7	P62 L135 G138 H143 A144 W145 V162 H173 I175	P62-V141 HydrophobicContact CB-CG2 4.41Å; P62-V141 HydrophobicContact CG-CG2 4.04Å; L135-V141 HydrophobicContact CB-CB 3.95Å; L135-V141 HydrophobicContact CB-CG2 4.36Å; L135-V141 HydrophobicContact CD1-CB 4.43Å; G138-V141 WeakPolarHBondContact O-CG1 3.47Å; G138-V141 PolarHBondContact O-N 3.03Å; V141-H143 PolarHBondContact O-N 3.33Å; V141-A144 PolarHBondContact O-N 3.08Å; V141-W145 WeakPolarHBondContact O-CB 3.3Å; V141-W145 PolarHBondContact O-N 3.45Å; V141-V162 HydrophobicContact CG2-CG2 4.15Å; V141-H173 HydrophobicContact CB-CB 4.36Å; V141-H173 HydrophobicContact CG2-CB 3.6Å; V141-I175 HydrophobicContact CG2-CD1 4.21Å; V141-I175 HydrophobicContact CG2-CG1 4.42Å
142	D	98.3	Very high	97.6	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-45.3	179.6	-66.2	-20.9	0	0	0	111.3	P62 S63 G138 W145 E146	P62-D142 WeakPolarHBondContact CD-OD1 3.17Å; P62-D142 WeakPolarHBondContact CG-OD1 3.47Å; S63-D142 VanDerWaalsContact CB-OD1 3.25Å; S63-D142 WeakPolarHBondContact CB-OD1 3.2Å; S63-D142 WeakPolarHBondContact CB-OD2 3.47Å; S63-D142 PolarHBondContact N-OD1 2.8Å; S63-D142 VanDerWaalsContact OG-CG 3.22Å; S63-D142 PolarHBondContact OG-OD1 3.17Å; S63-D142 VanDerWaalsContact OG-OD1 3.11Å; S63-D142 PolarHBondContact OG-OD2 2.79Å; G138-D142 PolarHBondContact O-N 3.47Å; D142-W145 PolarHBondContact O-N 3.46Å; D142-E146 WeakPolarHBondContact O-CB 3.18Å; D142-E146 PolarHBondContact O-N 3.44Å
143	H	98.1	Very high	97.6	Very high	119 Å²	119	44.3 Å²	44.3	55%	0.551	22%	0.221	S	C	*	.	H	α-helix	trans	-65.8	-45.8	177.5	-179.2	-78	0	0	0	112.3	F139 V141 W145 E146 C147	F139-H143 VanDerWaalsContact O-CB 3.31Å; F139-H143 WeakPolarHBondContact O-CB 3.23Å; F139-H143 PolarHBondContact O-N 2.84Å; V141-H143 PolarHBondContact O-N 3.33Å; H143-W145 VanDerWaalsContact C-N 3.3Å; H143-W145 PolarHBondContact O-N 3.27Å; H143-E146 PolarHBondContact O-N 3.05Å; H143-C147 PolarHBondContact CE1-SG 3Å; H143-C147 WeakPolarHBondContact O-CB 3.42Å; H143-C147 PolarHBondContact O-N 2.97Å; H143-C147 PolarHBondContact O-SG 3.34Å
144	A	98.3	Very high	97.6	Very high	8 Å²	8	49.9 Å²	49.9	7%	0.066	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-38.5	178.1	0	0	0	0	0	111.9	M133 L135 K140 V141 C147 V148 I175 V200	M133-A144 HydrophobicContact SD-CB 4.47Å; L135-A144 HydrophobicContact CD1-CB 3.34Å; K140-A144 WeakPolarHBondContact O-CB 3.44Å; K140-A144 PolarHBondContact O-N 3.18Å; V141-A144 PolarHBondContact O-N 3.08Å; A144-C147 WeakPolarHBondContact O-CB 3.37Å; A144-C147 PolarHBondContact O-N 2.95Å; A144-V148 PolarHBondContact O-N 3.35Å; A144-I175 HydrophobicContact CB-CD1 3.91Å; A144-V200 HydrophobicContact CB-CG2 4.34Å
145	W	98.8	Very high	97.6	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.011	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-53.2	173.9	168.3	-117.1	0	0	0	111.4	W56 P62 I81 V83 V141 D142 H143 C147 V148 A149 T160 V162 I175	W56-W145 HydrophobicContact CH2-CZ2 4.03Å; W56-W145 HydrophobicContact CZ3-CZ2 4.2Å; P62-W145 HydrophobicContact CG-CB 3.91Å; P62-W145 HydrophobicContact CG-CG 3.96Å; I81-W145 HydrophobicContact CG2-CZ2 3.82Å; V83-W145 HydrophobicContact CG2-CH2 3.94Å; V83-W145 HydrophobicContact CG2-CZ2 3.81Å; V141-W145 WeakPolarHBondContact O-CB 3.3Å; V141-W145 PolarHBondContact O-N 3.45Å; D142-W145 PolarHBondContact O-N 3.46Å; H143-W145 VanDerWaalsContact C-N 3.3Å; H143-W145 PolarHBondContact O-N 3.27Å; W145-C147 PolarHBondContact O-N 3.32Å; W145-V148 HydrophobicContact CE3-CG2 4.17Å; W145-V148 WeakPolarHBondContact O-CG2 3.34Å; W145-V148 PolarHBondContact O-N 2.96Å; W145-A149 HydrophobicContact CD2-CB 4.18Å; W145-A149 HydrophobicContact CE3-CB 4.41Å; W145-A149 HydrophobicContact CH2-CB 4.33Å; W145-A149 HydrophobicContact CZ2-CB 4.06Å; W145-A149 WeakPolarHBondContact O-CB 3.2Å; W145-A149 PolarHBondContact O-N 3.34Å; W145-T160 HydrophobicContact CH2-CG2 4.03Å; W145-T160 HydrophobicContact CZ3-CG2 3.73Å; W145-V162 HydrophobicContact CD2-CB 3.95Å; W145-V162 HydrophobicContact CD2-CG1 3.37Å; W145-V162 HydrophobicContact CE3-CB 3.56Å; W145-V162 HydrophobicContact CE3-CG1 3.45Å; W145-V162 VanDerWaalsContact CE3-CG1 3.45Å; W145-V162 HydrophobicContact CG-CB 4.5Å; W145-V162 HydrophobicContact CG-CG1 3.92Å; W145-V162 HydrophobicContact CH2-CG1 3.99Å; W145-V162 HydrophobicContact CZ2-CG1 3.94Å; W145-V162 HydrophobicContact CZ3-CB 3.9Å; W145-V162 HydrophobicContact CZ3-CG1 3.75Å; W145-I175 HydrophobicContact CB-CD1 4.14Å; W145-I175 HydrophobicContact CE3-CG2 4.14Å; W145-I175 HydrophobicContact CZ3-CG2 4.49Å
146	E	98.6	Very high	97.7	Very high	73 Å²	73	51.3 Å²	51.3	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-52.4	-45.8	176.5	172.1	173.9	-176.1	0	0	111.5	L57 D142 H143 V148 A149 R150	L57-E146 HydrophobicContact CD1-CB 4.4Å; L57-E146 HydrophobicContact CD1-CG 3.87Å; D142-E146 WeakPolarHBondContact O-CB 3.18Å; D142-E146 PolarHBondContact O-N 3.44Å; H143-E146 PolarHBondContact O-N 3.05Å; E146-V148 PolarHBondContact O-N 3.4Å; E146-A149 PolarHBondContact O-N 3.41Å; E146-R150 HydrophobicContact CG-CG 4.43Å; E146-R150 WeakPolarHBondContact O-CB 3.48Å; E146-R150 WeakPolarHBondContact O-CG 3.18Å; E146-R150 PolarHBondContact O-N 3.47Å; E146-R150 IonicContact OE1-CZ 3.17Å; E146-R150 VanDerWaalsContact OE1-CZ 3.26Å; E146-R150 IonicContact OE1-NE 3.4Å; E146-R150 PolarHBondContact OE1-NE 3.46Å; E146-R150 IonicContact OE1-NH2 2.66Å; E146-R150 PolarHBondContact OE1-NH2 2.88Å
147	C	98.4	Very high	97.7	Very high	22 Å²	22	47.3 Å²	47.3	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-51.7	-179.9	-71.9	0	0	0	0	112.7	H143 A144 W145 A151 T198 V200	H143-C147 PolarHBondContact CE1-SG 3Å; H143-C147 WeakPolarHBondContact O-CB 3.42Å; H143-C147 PolarHBondContact O-N 2.97Å; H143-C147 PolarHBondContact O-SG 3.34Å; A144-C147 WeakPolarHBondContact O-CB 3.37Å; A144-C147 PolarHBondContact O-N 2.95Å; W145-C147 PolarHBondContact O-N 3.32Å; C147-A151 PolarHBondContact O-N 2.95Å; C147-T198 WeakPolarHBondContact CB-OG1 3.45Å; C147-T198 PolarHBondContact SG-O 2.82Å; C147-V200 HydrophobicContact CB-CG2 4.45Å
148	V	98.6	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-76.9	-29.2	-179.2	-59.5	0	0	0	0	112.6	M133 A144 W145 E146 A151 A152 I157 T160 I175 I195 V200	M133-V148 HydrophobicContact CE-CG1 4.09Å; A144-V148 PolarHBondContact O-N 3.35Å; W145-V148 HydrophobicContact CE3-CG2 4.17Å; W145-V148 WeakPolarHBondContact O-CG2 3.34Å; W145-V148 PolarHBondContact O-N 2.96Å; E146-V148 PolarHBondContact O-N 3.4Å; V148-A151 PolarHBondContact O-N 3.26Å; V148-A152 PolarHBondContact O-N 3.14Å; V148-I157 HydrophobicContact CB-CD1 4.28Å; V148-T160 HydrophobicContact CG2-CG2 4.27Å; V148-I175 HydrophobicContact CG2-CG2 3.75Å; V148-I195 HydrophobicContact CG1-CG1 4.49Å; V148-I195 HydrophobicContact CG1-CG2 4.43Å; V148-V200 HydrophobicContact CG1-CG2 4.39Å
149	A	98.7	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-40.7	176.1	0	0	0	0	0	111	F53 L57 V83 W145 E146 A152 L153	F53-A149 HydrophobicContact CZ-CB 3.83Å; L57-A149 HydrophobicContact CD2-CB 4.21Å; V83-A149 HydrophobicContact CG2-CB 3.82Å; W145-A149 HydrophobicContact CD2-CB 4.18Å; W145-A149 HydrophobicContact CE3-CB 4.41Å; W145-A149 HydrophobicContact CH2-CB 4.33Å; W145-A149 HydrophobicContact CZ2-CB 4.06Å; W145-A149 WeakPolarHBondContact O-CB 3.2Å; W145-A149 PolarHBondContact O-N 3.34Å; E146-A149 PolarHBondContact O-N 3.41Å; A149-A152 WeakPolarHBondContact O-CB 3.28Å; A149-A152 PolarHBondContact O-N 3.24Å; A149-L153 PolarHBondContact O-N 3.44Å
150	R	98.6	Very high	98	Very high	76 Å²	76	38.1 Å²	38.1	29%	0.287	18%	0.183	S	C	.	.	H	α-helix	trans	-63.5	-42.7	170.8	-73	-177.7	-172.1	-66.3	-2.6	112	F53 D54 E146 A152 L153 E154	F53-R150 HydrophobicContact CD1-CG 4.45Å; F53-R150 HydrophobicContact CE1-CG 3.7Å; D54-R150 IonicContact OD1-CZ 3.47Å; D54-R150 IonicContact OD1-NH1 3.44Å; D54-R150 PolarHBondContact OD1-NH1 3.48Å; D54-R150 IonicContact OD1-NH2 2.77Å; D54-R150 PolarHBondContact OD1-NH2 3.26Å; E146-R150 HydrophobicContact CG-CG 4.43Å; E146-R150 WeakPolarHBondContact O-CB 3.48Å; E146-R150 WeakPolarHBondContact O-CG 3.18Å; E146-R150 PolarHBondContact O-N 3.47Å; E146-R150 IonicContact OE1-CZ 3.17Å; E146-R150 VanDerWaalsContact OE1-CZ 3.26Å; E146-R150 IonicContact OE1-NE 3.4Å; E146-R150 PolarHBondContact OE1-NE 3.46Å; E146-R150 IonicContact OE1-NH2 2.66Å; E146-R150 PolarHBondContact OE1-NH2 2.88Å; R150-A152 PolarHBondContact O-N 3.35Å; R150-L153 WeakPolarHBondContact O-CB 3.35Å; R150-L153 PolarHBondContact O-N 2.66Å; R150-E154 WeakPolarHBondContact O-CB 3.39Å; R150-E154 WeakPolarHBondContact O-CG 3.47Å; R150-E154 PolarHBondContact O-N 3.32Å
151	A	98.4	Very high	98.2	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-33.9	174.3	0	0	0	0	0	112.3	C147 V148 G155 K156 I157 V194 T198	C147-A151 PolarHBondContact O-N 2.95Å; V148-A151 PolarHBondContact O-N 3.26Å; A151-G155 PolarHBondContact O-N 3.04Å; A151-K156 HydrophobicContact CB-CB 4.35Å; A151-K156 WeakPolarHBondContact O-CA 3.24Å; A151-K156 WeakPolarHBondContact O-CB 3.28Å; A151-K156 PolarHBondContact O-N 3.27Å; A151-I157 HydrophobicContact CB-CD1 3.91Å; A151-I157 HydrophobicContact CB-CG1 4.15Å; A151-I157 PolarHBondContact O-N 2.88Å; A151-V194 HydrophobicContact CB-CG1 4.36Å; A151-T198 HydrophobicContact CB-CG2 3.82Å
152	A	98.4	Very high	98.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69.6	-44.7	173.4	0	0	0	0	0	112.8	V83 G85 V148 A149 R150 E154 G155 I157 T160	V83-A152 HydrophobicContact CB-CB 4.19Å; V83-A152 HydrophobicContact CG1-CB 3.88Å; G85-A152 WeakPolarHBondContact CA-O 3.07Å; V148-A152 PolarHBondContact O-N 3.14Å; A149-A152 WeakPolarHBondContact O-CB 3.28Å; A149-A152 PolarHBondContact O-N 3.24Å; R150-A152 PolarHBondContact O-N 3.35Å; A152-E154 PolarHBondContact O-N 3.07Å; A152-G155 PolarHBondContact O-N 3.01Å; A152-I157 WeakPolarHBondContact CA-O 3.47Å; A152-I157 HydrophobicContact CB-CB 4.15Å; A152-I157 WeakPolarHBondContact CB-O 3.25Å; A152-T160 HydrophobicContact CB-CG2 3.8Å
153	L	98.3	Very high	98.2	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.188	16%	0.161	C	C	.	.	H	α-helix	trans	-55.5	-40.5	173.8	179.2	68.8	0	0	0	112	F43 S45 A50 F53 A149 R150 G155	F43-L153 HydrophobicContact CD1-CD1 4.46Å; F43-L153 HydrophobicContact CE1-CD1 3.72Å; F43-L153 HydrophobicContact CZ-CD1 4.47Å; S45-L153 VanDerWaalsContact OG-CD1 3.29Å; S45-L153 WeakPolarHBondContact OG-CD1 3.43Å; A50-L153 HydrophobicContact CB-CD1 4.13Å; A50-L153 HydrophobicContact CB-CD2 4.36Å; F53-L153 HydrophobicContact CB-CD2 3.92Å; F53-L153 HydrophobicContact CD1-CD2 3.54Å; F53-L153 HydrophobicContact CD2-CD1 4.43Å; F53-L153 HydrophobicContact CD2-CD2 4.21Å; F53-L153 HydrophobicContact CE1-CB 4.49Å; F53-L153 HydrophobicContact CE1-CD2 4.01Å; F53-L153 HydrophobicContact CG-CD2 3.63Å; F53-L153 HydrophobicContact CZ-CB 4.38Å; A149-L153 PolarHBondContact O-N 3.44Å; R150-L153 WeakPolarHBondContact O-CB 3.35Å; R150-L153 PolarHBondContact O-N 2.66Å; L153-G155 PolarHBondContact O-N 3.34Å
154	E	97.8	Very high	98.2	Very high	117 Å²	117	27.6 Å²	27.6	55%	0.547	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.3	178.3	-68.9	173	-175.3	0	0	114.1	R150 A152 K156	R150-E154 WeakPolarHBondContact O-CB 3.39Å; R150-E154 WeakPolarHBondContact O-CG 3.47Å; R150-E154 PolarHBondContact O-N 3.32Å; A152-E154 PolarHBondContact O-N 3.07Å; E154-K156 VanDerWaalsContact C-N 3.31Å; E154-K156 HydrophobicContact CB-CD 4.49Å; E154-K156 HydrophobicContact CB-CG 4.42Å; E154-K156 PolarHBondContact O-N 3.4Å; E154-K156 VanDerWaalsContact OE2-CE 3.24Å; E154-K156 WeakPolarHBondContact OE2-CE 3.45Å; E154-K156 IonicContact OE2-NZ 3.61Å; E154-K156 PolarHBondContact OE2-NZ 3.46Å
155	G	97.2	Very high	98	Very high	23 Å²	23	32.2 Å²	32.2	24%	0.237	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	8	-179.6	0	0	0	0	0	115.2	A151 A152 L153	A151-G155 PolarHBondContact O-N 3.04Å; A152-G155 PolarHBondContact O-N 3.01Å; L153-G155 PolarHBondContact O-N 3.34Å
156	K	97.5	Very high	97.7	Very high	125 Å²	125	34.5 Å²	34.5	54%	0.543	17%	0.166	S	C	.	.	S	Bend	trans	-78.5	-23.1	176.5	-59.7	171.3	178.2	160.9	0	112.5	A151 E154 V194	A151-K156 HydrophobicContact CB-CB 4.35Å; A151-K156 WeakPolarHBondContact O-CA 3.24Å; A151-K156 WeakPolarHBondContact O-CB 3.28Å; A151-K156 PolarHBondContact O-N 3.27Å; E154-K156 VanDerWaalsContact C-N 3.31Å; E154-K156 HydrophobicContact CB-CD 4.49Å; E154-K156 HydrophobicContact CB-CG 4.42Å; E154-K156 PolarHBondContact O-N 3.4Å; E154-K156 VanDerWaalsContact OE2-CE 3.24Å; E154-K156 WeakPolarHBondContact OE2-CE 3.45Å; E154-K156 IonicContact OE2-NZ 3.61Å; E154-K156 PolarHBondContact OE2-NZ 3.46Å; K156-V194 HydrophobicContact CB-CG1 3.79Å
157	I	97.6	Very high	97.1	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	17%	0.173	C	C	.	.	S	Bend	trans	-130.1	125.3	175.2	-55.8	178.8	0	0	0	107.3	V148 A151 A152 Q159 L191 V194 I195	V148-I157 HydrophobicContact CB-CD1 4.28Å; A151-I157 HydrophobicContact CB-CD1 3.91Å; A151-I157 HydrophobicContact CB-CG1 4.15Å; A151-I157 PolarHBondContact O-N 2.88Å; A152-I157 WeakPolarHBondContact CA-O 3.47Å; A152-I157 HydrophobicContact CB-CB 4.15Å; A152-I157 WeakPolarHBondContact CB-O 3.25Å; I157-Q159 VanDerWaalsContact C-N 3.32Å; I157-Q159 VanDerWaalsContact CG2-O 3.23Å; I157-Q159 WeakPolarHBondContact CG2-O 3.34Å; I157-Q159 PolarHBondContact O-N 3.37Å; I157-L191 HydrophobicContact CD1-CD1 4.24Å; I157-L191 HydrophobicContact CG1-CD1 3.91Å; I157-L191 HydrophobicContact CG2-CD1 4.2Å; I157-V194 HydrophobicContact CD1-CG1 4Å; I157-V194 HydrophobicContact CG1-CG1 3.65Å; I157-I195 HydrophobicContact CD1-CG1 4.4Å
158	F	96.7	Very high	96.6	Very high	19 Å²	19	42.3 Å²	42.3	8%	0.083	20%	0.204	C	C	.	.	S	Bend	trans	-74.3	-25.1	-176.6	81.5	-90.5	0	0	0	112.7	G85 H88 Y178 N179 K180	G85-F158 PolarHBondContact N-O 2.83Å; H88-F158 WeakPolarHBondContact CB-O 3.18Å; H88-F158 AromaticContact ND1-CD2 3.63Å; H88-F158 PolarHBondContact ND1-O 3.3Å; F158-Y178 WeakPolarHBondContact CD1-O 3.29Å; F158-Y178 WeakPolarHBondContact CE1-O 3.3Å; F158-Y178 HydrophobicContact CZ-CG 4.38Å; F158-N179 VanDerWaalsContact CE1-C 3.49Å; F158-K180 HydrophobicContact CD1-CG 4.08Å; F158-K180 HydrophobicContact CE1-CG 3.92Å; F158-K180 HydrophobicContact CZ-CG 4.44Å
159	Q	97.9	Very high	95.9	Very high	31 Å²	31	43.7 Å²	43.7	15%	0.145	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	138	175.8	-179.6	174.6	56.3	0	0	111.4	L84 H88 I157 Y178	L84-Q159 HydrophobicContact CD2-CG 3.89Å; L84-Q159 VanDerWaalsContact CD2-NE2 3.29Å; H88-Q159 PolarHBondContact CE1-NE2 2.99Å; I157-Q159 VanDerWaalsContact C-N 3.32Å; I157-Q159 VanDerWaalsContact CG2-O 3.23Å; I157-Q159 WeakPolarHBondContact CG2-O 3.34Å; I157-Q159 PolarHBondContact O-N 3.37Å; Q159-Y178 HydrophobicContact CB-CD2 4.22Å; Q159-Y178 HydrophobicContact CG-CD2 4Å; Q159-Y178 HydrophobicContact CG-CE2 4.38Å; Q159-Y178 PolarHBondContact O-N 2.89Å
160	T	98.7	Very high	95.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.8	167.5	-169.7	0	0	0	0	110.8	A82 V83 W145 V148 A152 C176 S177	A82-T160 WeakPolarHBondContact CA-O 3.39Å; V83-T160 HydrophobicContact CB-CG2 4.2Å; V83-T160 PolarHBondContact N-O 2.9Å; V83-T160 PolarHBondContact O-N 3.37Å; V83-T160 VanDerWaalsContact O-N 3.08Å; W145-T160 HydrophobicContact CH2-CG2 4.03Å; W145-T160 HydrophobicContact CZ3-CG2 3.73Å; V148-T160 HydrophobicContact CG2-CG2 4.27Å; A152-T160 HydrophobicContact CB-CG2 3.8Å; T160-C176 CarbonylContact C-O 3.56Å; T160-C176 WeakPolarHBondContact CA-O 3.23Å; T160-C176 PolarHBondContact OG1-O 3.08Å; T160-C176 VanDerWaalsContact OG1-O 3.07Å; T160-S177 PolarHBondContact OG1-OG 3.16Å; T160-S177 VanDerWaalsContact OG1-OG 3.08Å
161	K	98.6	Very high	94.8	Very high	9 Å²	9	54.1 Å²	54.1	4%	0.039	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.4	177.5	73.5	-178.4	-162.8	172.5	0	112.1	D36 W40 W80 I81 A82 I175 C176 Y178	D36-K161 IonicContact OD1-NZ 2.8Å; D36-K161 PolarHBondContact OD1-NZ 2.65Å; D36-K161 VanDerWaalsContact OD1-NZ 3.17Å; W40-K161 HydrophobicContact CH2-CD 3.84Å; W40-K161 HydrophobicContact CZ3-CD 3.97Å; W80-K161 HydrophobicContact CB-CD 4.35Å; W80-K161 HydrophobicContact CD2-CD 3.57Å; W80-K161 VanDerWaalsContact CD2-CE 3.43Å; W80-K161 HydrophobicContact CD2-CG 4.02Å; W80-K161 VanDerWaalsContact CE2-NZ 3.25Å; W80-K161 HydrophobicContact CE3-CB 4.04Å; W80-K161 HydrophobicContact CE3-CD 3.69Å; W80-K161 HydrophobicContact CE3-CG 3.56Å; W80-K161 HydrophobicContact CG-CD 3.85Å; W80-K161 HydrophobicContact CZ3-CD 4.24Å; W80-K161 HydrophobicContact CZ3-CG 3.94Å; W80-K161 VanDerWaalsContact NE1-NZ 3.13Å; I81-K161 CarbonylContact O-C 3.55Å; I81-K161 WeakPolarHBondContact O-CA 3.5Å; I81-K161 WeakPolarHBondContact O-CB 3.42Å; A82-K161 HydrophobicContact CB-CB 3.91Å; K161-I175 CarbonylContact O-C 3.55Å; K161-I175 WeakPolarHBondContact O-CA 3.49Å; K161-C176 HydrophobicContact CG-CB 3.97Å; K161-C176 PolarHBondContact N-O 2.97Å; K161-C176 PolarHBondContact O-N 2.88Å; K161-Y178 HydrophobicContact CD-CE2 4.38Å; K161-Y178 VanDerWaalsContact CE-OH 3.24Å; K161-Y178 WeakPolarHBondContact CE-OH 3.33Å; K161-Y178 HydrophobicContact CG-CE2 4.16Å
162	V	98.8	Very high	94.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.4	177.5	62.1	0	0	0	0	110.6	P62 W80 I81 V141 W145 V174 I175	P62-V162 HydrophobicContact CB-CB 4.4Å; P62-V162 HydrophobicContact CB-CG1 3.79Å; P62-V162 HydrophobicContact CB-CG2 3.64Å; P62-V162 HydrophobicContact CG-CG1 4.13Å; P62-V162 HydrophobicContact CG-CG2 4.06Å; W80-V162 VanDerWaalsContact CE3-C 3.43Å; I81-V162 HydrophobicContact CB-CG1 3.82Å; I81-V162 HydrophobicContact CD1-CG1 4.15Å; I81-V162 HydrophobicContact CG2-CG1 4.38Å; I81-V162 PolarHBondContact N-O 3.45Å; I81-V162 PolarHBondContact O-N 2.78Å; V141-V162 HydrophobicContact CG2-CG2 4.15Å; W145-V162 HydrophobicContact CD2-CB 3.95Å; W145-V162 HydrophobicContact CD2-CG1 3.37Å; W145-V162 HydrophobicContact CE3-CB 3.56Å; W145-V162 HydrophobicContact CE3-CG1 3.45Å; W145-V162 VanDerWaalsContact CE3-CG1 3.45Å; W145-V162 HydrophobicContact CG-CB 4.5Å; W145-V162 HydrophobicContact CG-CG1 3.92Å; W145-V162 HydrophobicContact CH2-CG1 3.99Å; W145-V162 HydrophobicContact CZ2-CG1 3.94Å; W145-V162 HydrophobicContact CZ3-CB 3.9Å; W145-V162 HydrophobicContact CZ3-CG1 3.75Å; V162-V174 WeakPolarHBondContact CA-O 3.32Å; V162-I175 HydrophobicContact CB-CG1 3.92Å; V162-I175 HydrophobicContact CG2-CD1 4.49Å; V162-I175 HydrophobicContact CG2-CG1 3.52Å
163	S	98.4	Very high	94.6	Very high	22 Å²	22	59.5 Å²	59.5	15%	0.154	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-68.9	140.8	175.8	63	0	0	0	0	110.4	H173 V174	S163-H173 PolarHBondContact O-ND1 3.23Å; S163-H173 VanDerWaalsContact OG-CA 3.32Å; S163-H173 WeakPolarHBondContact OG-CA 3.07Å; S163-V174 PolarHBondContact N-O 2.83Å; S163-V174 PolarHBondContact OG-N 3.36Å
164	P	97.3	Very high	94.6	Very high	9 Å²	9	59 Å²	59	6%	0.058	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.4	169.3	168.3	29.8	-32.8	0	0	0	110.9	V65 R67 V78 G79	V65-P164 HydrophobicContact CB-CB 4.41Å; V65-P164 HydrophobicContact CG1-CB 3.94Å; V65-P164 VanDerWaalsContact O-CB 3.29Å; V65-P164 WeakPolarHBondContact O-CB 3.37Å; R67-P164 HydrophobicContact CB-CG 4.06Å; V78-P164 HydrophobicContact CB-CG 4.43Å; V78-P164 HydrophobicContact CG1-CB 4.48Å; V78-P164 HydrophobicContact CG1-CG 4.37Å; V78-P164 VanDerWaalsContact O-CG 3.28Å; V78-P164 WeakPolarHBondContact O-CG 3.3Å; G79-P164 VanDerWaalsContact O-CD 3.28Å; G79-P164 WeakPolarHBondContact O-CD 3.43Å
165	R	95.4	Very high	94.6	Very high	106 Å²	106	53.5 Å²	53.5	40%	0.4	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-75.7	129.3	177.9	178.3	173.2	174.3	-93.2	-6.4	110.5	P62 S63 V65 G66 R67 H173	P62-R165 PolarHBondContact O-N 2.55Å; S63-R165 WeakPolarHBondContact O-CD 3.31Å; V65-R165 PolarHBondContact O-N 2.94Å; G66-R165 CarbonylContact C-O 3.5Å; G66-R165 WeakPolarHBondContact CA-O 3.18Å; R67-R165 PolarHBondContact N-O 3Å; R165-H173 VanDerWaalsContact CA-CE1 3.45Å; R165-H173 WeakPolarHBondContact CA-CE1 3.37Å; R165-H173 PolarHBondContact N-CE1 3.06Å
166	D	92.6	Very high	94.7	Very high	51 Å²	51	52.7 Å²	52.7	27%	0.273	25%	0.252	S	S	.	.			trans	-96	110.8	163.8	-175.6	-9.8	0	0	0	109	R67 F68 K168 S169	R67-D166 HydrophobicContact CB-CB 4.44Å; F68-D166 WeakPolarHBondContact CE2-OD1 3.32Å; D166-K168 PolarHBondContact O-N 3.25Å; D166-K168 WeakPolarHBondContact OD1-CB 3.45Å; D166-K168 PolarHBondContact OD1-N 3.11Å; D166-S169 PolarHBondContact O-N 3.11Å
167	P	85.5	Confident	94.7	Very high	75 Å²	75	46.7 Å²	46.7	49%	0.487	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.7	179.5	28.8	-34.3	0	0	0	113.5	S169	P167-S169 VanDerWaalsContact C-N 3.34Å
168	K	86.8	Confident	94.8	Very high	184 Å²	184	47.1 Å²	47.1	80%	0.8	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	1.8	-178.8	-58.9	177.9	-178.3	175.4	0	112.1	D166	D166-K168 PolarHBondContact O-N 3.25Å; D166-K168 WeakPolarHBondContact OD1-CB 3.45Å; D166-K168 PolarHBondContact OD1-N 3.11Å
169	S	85.4	Confident	94.7	Very high	29 Å²	29	46.3 Å²	46.3	20%	0.203	22%	0.224	C	C	.	.			trans	-136.5	133.6	-174.7	-162.4	0	0	0	0	111.4	D166 P167 R171	D166-S169 PolarHBondContact O-N 3.11Å; P167-S169 VanDerWaalsContact C-N 3.34Å; S169-R171 PolarHBondContact O-N 3.3Å; S169-R171 WeakPolarHBondContact OG-CB 3.44Å; S169-R171 WeakPolarHBondContact OG-CD 3.41Å; S169-R171 WeakPolarHBondContact OG-CG 3.42Å; S169-R171 PolarHBondContact OG-N 3.23Å
170	D	84.9	Confident	94.6	Very high	172 Å²	172	49.5 Å²	49.5	92%	0.92	24%	0.237	S	C	*	.			trans	-82.6	13.2	169.6	-62.3	-37.1	0	0	0	112.3
171	R	87.8	Confident	94.5	Very high	122 Å²	122	51.5 Å²	51.5	46%	0.46	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-65	138.2	177.9	-74.4	175	-165.8	-177.1	15.7	110.3	E31 S169	E31-R171 IonicContact OE1-CZ 3.92Å; E31-R171 IonicContact OE1-NH1 3.11Å; E31-R171 PolarHBondContact OE1-NH1 2.95Å; E31-R171 IonicContact OE1-NH2 3.63Å; E31-R171 PolarHBondContact OE1-NH2 3.29Å; E31-R171 IonicContact OE2-CZ 2.76Å; E31-R171 IonicContact OE2-NH1 2.91Å; E31-R171 PolarHBondContact OE2-NH1 2.66Å; S169-R171 PolarHBondContact O-N 3.3Å; S169-R171 WeakPolarHBondContact OG-CB 3.44Å; S169-R171 WeakPolarHBondContact OG-CD 3.41Å; S169-R171 WeakPolarHBondContact OG-CG 3.42Å; S169-R171 PolarHBondContact OG-N 3.23Å
172	K	95.4	Very high	94.5	Very high	111 Å²	111	51.3 Å²	51.3	48%	0.483	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-59.3	144	173.3	-65.9	-173.8	-178.5	-168.3	0	110.6	H134 L135 D136	H134-K172 HydrophobicContact CB-CB 4.03Å; H134-K172 HydrophobicContact CB-CD 4.01Å; L135-K172 CarbonylContact O-C 3.5Å; L135-K172 WeakPolarHBondContact O-CA 3.28Å; L135-K172 WeakPolarHBondContact O-CB 3.18Å; D136-K172 WeakPolarHBondContact OD1-CE 3.38Å; D136-K172 WeakPolarHBondContact OD1-CG 3.29Å; D136-K172 IonicContact OD1-NZ 3.93Å
173	H	97.7	Very high	94.4	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.028	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	148.6	163.9	-71	-98.3	0	0	0	110	P62 H134 L135 S137 V141 S163 R165	P62-H173 PolarHBondContact O-CE1 3.33Å; H134-H173 CarbonylContact C-O 3.59Å; H134-H173 VanDerWaalsContact CA-O 3.23Å; H134-H173 WeakPolarHBondContact CA-O 3.41Å; L135-H173 PolarHBondContact N-O 3.31Å; L135-H173 PolarHBondContact O-N 2.88Å; S137-H173 WeakPolarHBondContact CB-NE2 3.24Å; S137-H173 PolarHBondContact OG-NE2 2.9Å; V141-H173 HydrophobicContact CB-CB 4.36Å; V141-H173 HydrophobicContact CG2-CB 3.6Å; S163-H173 PolarHBondContact O-ND1 3.23Å; S163-H173 VanDerWaalsContact OG-CA 3.32Å; S163-H173 WeakPolarHBondContact OG-CA 3.07Å; R165-H173 VanDerWaalsContact CA-CE1 3.45Å; R165-H173 WeakPolarHBondContact CA-CE1 3.37Å; R165-H173 PolarHBondContact N-CE1 3.06Å
174	V	97.9	Very high	94.4	Very high	26 Å²	26	54.7 Å²	54.7	16%	0.158	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.7	169.5	63.5	0	0	0	0	109.8	W80 L132 M133 V162 S163	W80-V174 HydrophobicContact CH2-CG1 3.73Å; W80-V174 HydrophobicContact CZ3-CG1 3.99Å; L132-V174 HydrophobicContact CB-CG2 4.31Å; L132-V174 HydrophobicContact CD2-CG2 3.91Å; M133-V174 WeakPolarHBondContact O-CA 3.33Å; V162-V174 WeakPolarHBondContact CA-O 3.32Å; S163-V174 PolarHBondContact N-O 2.83Å; S163-V174 PolarHBondContact OG-N 3.36Å
175	I	98.8	Very high	94.4	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.5	166.4	-53.2	164.5	0	0	0	107.7	L132 M133 L135 V141 A144 W145 V148 K161 V162	L132-I175 WeakPolarHBondContact CA-O 3.49Å; M133-I175 HydrophobicContact CG-CB 3.56Å; M133-I175 HydrophobicContact CG-CD1 4.07Å; M133-I175 HydrophobicContact CG-CG1 4.19Å; M133-I175 HydrophobicContact CG-CG2 4.4Å; M133-I175 PolarHBondContact N-O 2.88Å; M133-I175 PolarHBondContact O-N 2.88Å; M133-I175 HydrophobicContact SD-CB 4.07Å; M133-I175 HydrophobicContact SD-CD1 3.86Å; M133-I175 HydrophobicContact SD-CG2 4.42Å; L135-I175 HydrophobicContact CD1-CD1 3.92Å; V141-I175 HydrophobicContact CG2-CD1 4.21Å; V141-I175 HydrophobicContact CG2-CG1 4.42Å; A144-I175 HydrophobicContact CB-CD1 3.91Å; W145-I175 HydrophobicContact CB-CD1 4.14Å; W145-I175 HydrophobicContact CE3-CG2 4.14Å; W145-I175 HydrophobicContact CZ3-CG2 4.49Å; V148-I175 HydrophobicContact CG2-CG2 3.75Å; K161-I175 CarbonylContact O-C 3.55Å; K161-I175 WeakPolarHBondContact O-CA 3.49Å; V162-I175 HydrophobicContact CB-CG1 3.92Å; V162-I175 HydrophobicContact CG2-CD1 4.49Å; V162-I175 HydrophobicContact CG2-CG1 3.52Å
176	C	98.7	Very high	94.5	Very high	5 Å²	5	58 Å²	58	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.1	-179.4	-56.7	0	0	0	0	109.2	K130 W131 L132 T160 K161 Y178	K130-C176 HydrophobicContact CB-CB 4.4Å; K130-C176 HydrophobicContact CD-CB 3.97Å; K130-C176 HydrophobicContact CG-CB 4.42Å; W131-C176 WeakPolarHBondContact O-CA 3.32Å; L132-C176 HydrophobicContact CD2-CB 4.33Å; L132-C176 WeakPolarHBondContact CD2-SG 3.36Å; T160-C176 CarbonylContact C-O 3.56Å; T160-C176 WeakPolarHBondContact CA-O 3.23Å; T160-C176 PolarHBondContact OG1-O 3.08Å; T160-C176 VanDerWaalsContact OG1-O 3.07Å; K161-C176 HydrophobicContact CG-CB 3.97Å; K161-C176 PolarHBondContact N-O 2.97Å; K161-C176 PolarHBondContact O-N 2.88Å; C176-Y178 HydrophobicContact CB-CE2 3.82Å
177	S	98.6	Very high	94.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.2	170.7	-59.4	0	0	0	0	109.5	K130 W131 T160 L191	K130-S177 CarbonylContact C-O 3.27Å; K130-S177 WeakPolarHBondContact CA-O 3.44Å; K130-S177 WeakPolarHBondContact CB-O 3.47Å; W131-S177 PolarHBondContact N-O 2.98Å; W131-S177 PolarHBondContact O-N 2.8Å; T160-S177 PolarHBondContact OG1-OG 3.16Å; T160-S177 VanDerWaalsContact OG1-OG 3.08Å; S177-L191 WeakPolarHBondContact O-CD2 3.35Å
178	Y	98.1	Very high	95.3	Very high	12 Å²	12	53.7 Å²	53.7	5%	0.047	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	148	-165.9	-69.6	-101.5	0	0	0	114.2	G129 K130 F158 Q159 K161 C176 L191	G129-Y178 VanDerWaalsContact O-CA 3.25Å; G129-Y178 WeakPolarHBondContact O-CA 3.47Å; G129-Y178 WeakPolarHBondContact O-CD1 3.41Å; K130-Y178 HydrophobicContact CB-CD1 3.87Å; K130-Y178 HydrophobicContact CB-CD2 4.45Å; K130-Y178 HydrophobicContact CB-CE1 3.93Å; K130-Y178 HydrophobicContact CB-CE2 4.48Å; K130-Y178 HydrophobicContact CB-CG 4.15Å; K130-Y178 HydrophobicContact CD-CE1 3.89Å; K130-Y178 HydrophobicContact CG-CE1 4.49Å; K130-Y178 PolarHBondContact NZ-OH 3.34Å; F158-Y178 WeakPolarHBondContact CD1-O 3.29Å; F158-Y178 WeakPolarHBondContact CE1-O 3.3Å; F158-Y178 HydrophobicContact CZ-CG 4.38Å; Q159-Y178 HydrophobicContact CB-CD2 4.22Å; Q159-Y178 HydrophobicContact CG-CD2 4Å; Q159-Y178 HydrophobicContact CG-CE2 4.38Å; Q159-Y178 PolarHBondContact O-N 2.89Å; K161-Y178 HydrophobicContact CD-CE2 4.38Å; K161-Y178 VanDerWaalsContact CE-OH 3.24Å; K161-Y178 WeakPolarHBondContact CE-OH 3.33Å; K161-Y178 HydrophobicContact CG-CE2 4.16Å; C176-Y178 HydrophobicContact CB-CE2 3.82Å; Y178-L191 WeakPolarHBondContact O-CD2 3.2Å
179	N	95.8	Very high	95.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	163	162.9	77.4	-56	0	0	0	110.4	T128 G129 F158 D181 F182 E187 L191 F206	T128-N179 WeakPolarHBondContact CA-O 3.49Å; G129-N179 VanDerWaalsContact C-OD1 3.23Å; G129-N179 WeakPolarHBondContact CA-OD1 3.48Å; G129-N179 PolarHBondContact N-O 2.83Å; G129-N179 PolarHBondContact N-OD1 2.77Å; G129-N179 PolarHBondContact O-N 2.82Å; G129-N179 PolarHBondContact O-OD1 2.99Å; G129-N179 VanDerWaalsContact O-OD1 3.08Å; F158-N179 VanDerWaalsContact CE1-C 3.49Å; N179-D181 PolarHBondContact ND2-O 3.05Å; N179-F182 PolarHBondContact ND2-N 2.7Å; N179-E187 HydrophobicContact CB-CG 4.02Å; N179-L191 HydrophobicContact CB-CD2 3.89Å; N179-F206 VanDerWaalsContact OD1-CE2 3.25Å; N179-F206 WeakPolarHBondContact OD1-CE2 3.15Å; N179-F206 WeakPolarHBondContact OD1-CZ 3.44Å
180	K	95.8	Very high	96.4	Very high	97 Å²	97	51 Å²	51	42%	0.422	24%	0.242	S	C	.	.	S	Bend	trans	-83.1	-35.6	-173.3	-64.5	-177.3	177.2	-179.8	0	112.8	L127 T128 F158 E187	L127-K180 CarbonylContact C-O 3.44Å; L127-K180 VanDerWaalsContact C-O 3.27Å; T128-K180 PolarHBondContact N-O 2.89Å; F158-K180 HydrophobicContact CD1-CG 4.08Å; F158-K180 HydrophobicContact CE1-CG 3.92Å; F158-K180 HydrophobicContact CZ-CG 4.44Å; K180-E187 WeakPolarHBondContact CB-OE1 3.4Å; K180-E187 PolarHBondContact N-OE1 3.08Å
181	D	96.9	Very high	97	Very high	43 Å²	43	43.4 Å²	43.4	23%	0.23	20%	0.201	C	C	.	.			trans	-134.7	105.3	-180	-169.7	-13.7	0	0	0	112.3	L127 N179 T183 D184 E187	L127-D181 HydrophobicContact CB-CB 4.46Å; L127-D181 CarbonylContact O-C 3.48Å; L127-D181 VanDerWaalsContact O-CA 3.23Å; L127-D181 WeakPolarHBondContact O-CA 3.49Å; N179-D181 PolarHBondContact ND2-O 3.05Å; D181-T183 PolarHBondContact O-N 3.31Å; D181-T183 VanDerWaalsContact O-N 3.16Å; D181-T183 WeakPolarHBondContact OD1-CA 3.07Å; D181-T183 VanDerWaalsContact OD1-CB 3.26Å; D181-T183 WeakPolarHBondContact OD1-CB 3.38Å; D181-T183 PolarHBondContact OD1-N 3.18Å; D181-T183 PolarHBondContact OD1-OG1 2.97Å; D181-T183 PolarHBondContact OD2-OG1 3.32Å; D181-D184 HydrophobicContact CB-CB 4.39Å; D181-D184 PolarHBondContact O-N 2.67Å; D181-E187 PolarHBondContact N-OE2 3.44Å
182	F	97.9	Very high	97.5	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.018	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.8	176.6	79.1	-98.6	0	0	0	113.7	F114 K118 A121 L127 N179 F206 P208 V210 I228	F114-F182 HydrophobicContact CE2-CE2 4.31Å; F114-F182 HydrophobicContact CZ-CE2 4.47Å; K118-F182 HydrophobicContact CG-CE2 4.19Å; K118-F182 HydrophobicContact CG-CZ 4.32Å; A121-F182 HydrophobicContact CB-CE1 3.7Å; A121-F182 HydrophobicContact CB-CZ 3.68Å; L127-F182 HydrophobicContact CD2-CE1 4.45Å; L127-F182 WeakPolarHBondContact O-CD1 3.36Å; L127-F182 PolarHBondContact O-N 2.98Å; N179-F182 PolarHBondContact ND2-N 2.7Å; F182-F206 HydrophobicContact CB-CE1 3.64Å; F182-F206 HydrophobicContact CB-CZ 3.79Å; F182-P208 HydrophobicContact CB-CB 4.44Å; F182-P208 HydrophobicContact CD1-CB 3.87Å; F182-P208 HydrophobicContact CD2-CB 4.05Å; F182-P208 HydrophobicContact CD2-CG 3.96Å; F182-P208 HydrophobicContact CE1-CB 4.13Å; F182-P208 HydrophobicContact CE2-CB 4.27Å; F182-P208 HydrophobicContact CE2-CG 4.3Å; F182-P208 HydrophobicContact CG-CB 3.88Å; F182-P208 HydrophobicContact CG-CG 4.18Å; F182-P208 HydrophobicContact CZ-CB 4.33Å; F182-V210 HydrophobicContact CE1-CG1 4.06Å; F182-V210 HydrophobicContact CZ-CG1 4.11Å; F182-I228 HydrophobicContact CD2-CD1 3.99Å
183	T	97.3	Very high	97.6	Very high	43 Å²	43	35.2 Å²	35.2	26%	0.264	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-17.8	178.3	79.4	0	0	0	0	112.7	K118 L122 L127 D181 E185	K118-T183 HydrophobicContact CG-CG2 4.39Å; L122-T183 HydrophobicContact CD2-CG2 4.09Å; L127-T183 HydrophobicContact CD2-CG2 4.44Å; D181-T183 PolarHBondContact O-N 3.31Å; D181-T183 VanDerWaalsContact O-N 3.16Å; D181-T183 WeakPolarHBondContact OD1-CA 3.07Å; D181-T183 VanDerWaalsContact OD1-CB 3.26Å; D181-T183 WeakPolarHBondContact OD1-CB 3.38Å; D181-T183 PolarHBondContact OD1-N 3.18Å; D181-T183 PolarHBondContact OD1-OG1 2.97Å; D181-T183 PolarHBondContact OD2-OG1 3.32Å; T183-E185 PolarHBondContact O-N 3.37Å
184	D	97.7	Very high	97.6	Very high	51 Å²	51	36.6 Å²	36.6	27%	0.273	19%	0.188	S	C	.	.			trans	-82.5	96.7	165.6	-179.5	8.2	0	0	0	109.6	D181 N186 E187 V188 R190	D181-D184 HydrophobicContact CB-CB 4.39Å; D181-D184 PolarHBondContact O-N 2.67Å; D184-N186 PolarHBondContact O-N 2.64Å; D184-N186 WeakPolarHBondContact OD1-CB 3.5Å; D184-N186 PolarHBondContact OD1-N 2.67Å; D184-N186 PolarHBondContact OD1-ND2 3.45Å; D184-E187 HydrophobicContact CB-CB 3.96Å; D184-E187 WeakPolarHBondContact O-CB 3.35Å; D184-E187 PolarHBondContact O-N 3.26Å; D184-E187 PolarHBondContact OD1-N 3.21Å; D184-V188 PolarHBondContact O-N 2.81Å; D184-R190 IonicContact OD2-NH2 2.67Å; D184-R190 PolarHBondContact OD2-NH2 3.49Å
185	E	97.6	Very high	97.7	Very high	75 Å²	75	35.4 Å²	35.4	35%	0.35	18%	0.181	S	C	.	.	H	α-helix	trans	-55.7	-35.5	177.8	-173.7	163.4	88.6	0	0	112.2	T183 E187 V188 M189 Y229	T183-E185 PolarHBondContact O-N 3.37Å; E185-E187 VanDerWaalsContact C-N 3.3Å; E185-E187 PolarHBondContact O-N 3.22Å; E185-V188 PolarHBondContact O-N 3.45Å; E185-M189 HydrophobicContact CG-CE 3.64Å; E185-M189 HydrophobicContact CG-CG 4.41Å; E185-M189 VanDerWaalsContact O-CG 3.3Å; E185-M189 WeakPolarHBondContact O-CG 3.43Å; E185-M189 PolarHBondContact O-N 3.43Å; E185-Y229 HydrophobicContact CG-CE1 4.38Å; E185-Y229 WeakPolarHBondContact OE2-CE1 3.43Å; E185-Y229 PolarHBondContact OE2-OH 2.93Å
186	N	97.4	Very high	97.6	Very high	108 Å²	108	36.4 Å²	36.4	58%	0.578	19%	0.185	S	C	*	.	H	α-helix	trans	-66.6	-34.5	177.9	-60.3	-67.2	0	0	0	111.3	D184 M189 R190	D184-N186 PolarHBondContact O-N 2.64Å; D184-N186 WeakPolarHBondContact OD1-CB 3.5Å; D184-N186 PolarHBondContact OD1-N 2.67Å; D184-N186 PolarHBondContact OD1-ND2 3.45Å; N186-M189 PolarHBondContact O-N 2.89Å; N186-R190 VanDerWaalsContact O-CB 3.29Å; N186-R190 WeakPolarHBondContact O-CB 3.3Å; N186-R190 WeakPolarHBondContact O-CG 3.31Å; N186-R190 PolarHBondContact O-N 2.89Å
187	E	96.5	Very high	97.5	Very high	37 Å²	37	40.5 Å²	40.5	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-41.6	175.4	-155.7	-173	164.6	0	0	111.6	N179 K180 D181 D184 E185 R190 L191	N179-E187 HydrophobicContact CB-CG 4.02Å; K180-E187 WeakPolarHBondContact CB-OE1 3.4Å; K180-E187 PolarHBondContact N-OE1 3.08Å; D181-E187 PolarHBondContact N-OE2 3.44Å; D184-E187 HydrophobicContact CB-CB 3.96Å; D184-E187 WeakPolarHBondContact O-CB 3.35Å; D184-E187 PolarHBondContact O-N 3.26Å; D184-E187 PolarHBondContact OD1-N 3.21Å; E185-E187 VanDerWaalsContact C-N 3.3Å; E185-E187 PolarHBondContact O-N 3.22Å; E187-R190 VanDerWaalsContact CB-NH2 3.28Å; E187-R190 PolarHBondContact O-N 3.49Å; E187-L191 PolarHBondContact O-N 2.96Å
188	V	98.2	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-45	175.9	177.7	0	0	0	0	111.1	W131 D184 E185 L191 D192 F206 Y229	W131-V188 HydrophobicContact CZ2-CG1 3.84Å; W131-V188 PolarHBondContact NE1-O 2.74Å; D184-V188 PolarHBondContact O-N 2.81Å; E185-V188 PolarHBondContact O-N 3.45Å; V188-L191 PolarHBondContact O-N 3.48Å; V188-D192 PolarHBondContact O-N 3.22Å; V188-D192 VanDerWaalsContact O-N 3.17Å; V188-F206 HydrophobicContact CB-CE2 4.3Å; V188-F206 HydrophobicContact CG1-CD2 3.62Å; V188-F206 HydrophobicContact CG1-CE2 3.78Å; V188-F206 HydrophobicContact CG1-CG 4.05Å; V188-F206 HydrophobicContact CG1-CZ 4.36Å; V188-F206 HydrophobicContact CG2-CD2 4.47Å; V188-F206 HydrophobicContact CG2-CE1 4.33Å; V188-F206 HydrophobicContact CG2-CE2 3.83Å; V188-F206 HydrophobicContact CG2-CZ 3.73Å; V188-Y229 HydrophobicContact CB-CE2 4.49Å; V188-Y229 HydrophobicContact CG1-CD2 3.76Å; V188-Y229 HydrophobicContact CG1-CE2 4.03Å; V188-Y229 HydrophobicContact CG1-CG 4.29Å; V188-Y229 HydrophobicContact CG2-CE2 4.35Å
189	M	97.8	Very high	97.2	Very high	27 Å²	27	43.8 Å²	43.8	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-39.4	178	-59.7	-39.5	130	0	0	112.5	E185 N186 L191 D192 A193 Y229 I244 V253	E185-M189 HydrophobicContact CG-CE 3.64Å; E185-M189 HydrophobicContact CG-CG 4.41Å; E185-M189 VanDerWaalsContact O-CG 3.3Å; E185-M189 WeakPolarHBondContact O-CG 3.43Å; E185-M189 PolarHBondContact O-N 3.43Å; N186-M189 PolarHBondContact O-N 2.89Å; M189-L191 VanDerWaalsContact C-N 3.27Å; M189-L191 PolarHBondContact O-N 3.25Å; M189-D192 PolarHBondContact O-N 3.04Å; M189-A193 PolarHBondContact O-N 2.73Å; M189-Y229 HydrophobicContact CE-CD1 3.73Å; M189-Y229 HydrophobicContact CE-CE1 3.57Å; M189-Y229 HydrophobicContact CE-CG 4.29Å; M189-I244 HydrophobicContact CE-CG2 4.13Å; M189-I244 HydrophobicContact SD-CB 4.15Å; M189-I244 HydrophobicContact SD-CD1 3.44Å; M189-I244 WeakPolarHBondContact SD-CD1 3.38Å; M189-I244 HydrophobicContact SD-CG1 4.37Å; M189-I244 HydrophobicContact SD-CG2 3.74Å; M189-V253 HydrophobicContact CE-CB 4.49Å; M189-V253 HydrophobicContact CE-CG2 3.56Å; M189-V253 HydrophobicContact SD-CG2 3.68Å
190	R	97.4	Very high	97.2	Very high	130 Å²	130	44.1 Å²	44.1	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-58	-42.6	174	-79.5	-175.4	-55.5	-99	3.4	111	D184 N186 E187 A193 V194	D184-R190 IonicContact OD2-NH2 2.67Å; D184-R190 PolarHBondContact OD2-NH2 3.49Å; N186-R190 VanDerWaalsContact O-CB 3.29Å; N186-R190 WeakPolarHBondContact O-CB 3.3Å; N186-R190 WeakPolarHBondContact O-CG 3.31Å; N186-R190 PolarHBondContact O-N 2.89Å; E187-R190 VanDerWaalsContact CB-NH2 3.28Å; E187-R190 PolarHBondContact O-N 3.49Å; R190-A193 PolarHBondContact O-N 2.76Å; R190-V194 WeakPolarHBondContact O-CG2 3.23Å; R190-V194 PolarHBondContact O-N 2.91Å
191	L	98.1	Very high	97.1	Very high	11 Å²	11	45 Å²	45	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-39.8	178.4	-176.9	61.1	0	0	0	112.4	I157 S177 Y178 N179 E187 V188 M189 V194 I195	I157-L191 HydrophobicContact CD1-CD1 4.24Å; I157-L191 HydrophobicContact CG1-CD1 3.91Å; I157-L191 HydrophobicContact CG2-CD1 4.2Å; S177-L191 WeakPolarHBondContact O-CD2 3.35Å; Y178-L191 WeakPolarHBondContact O-CD2 3.2Å; N179-L191 HydrophobicContact CB-CD2 3.89Å; E187-L191 PolarHBondContact O-N 2.96Å; V188-L191 PolarHBondContact O-N 3.48Å; M189-L191 VanDerWaalsContact C-N 3.27Å; M189-L191 PolarHBondContact O-N 3.25Å; L191-V194 PolarHBondContact O-N 3.47Å; L191-I195 HydrophobicContact CD1-CD1 4.43Å; L191-I195 HydrophobicContact CG-CD1 4.11Å; L191-I195 WeakPolarHBondContact O-CD1 3.41Å; L191-I195 VanDerWaalsContact O-CG1 3.29Å; L191-I195 WeakPolarHBondContact O-CG1 3.2Å; L191-I195 PolarHBondContact O-N 3.43Å
192	D	98.4	Very high	97	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.027	26%	0.256	C	S	.	.	H	α-helix	trans	-56.7	-51.5	171	175.7	87.8	0	0	0	110.5	W131 V188 M189 V194 I195 R196 L204 S231 S242 I244	W131-D192 HydrophobicContact CZ2-CB 4.18Å; V188-D192 PolarHBondContact O-N 3.22Å; V188-D192 VanDerWaalsContact O-N 3.17Å; M189-D192 PolarHBondContact O-N 3.04Å; D192-V194 VanDerWaalsContact C-N 3.29Å; D192-V194 PolarHBondContact O-N 3.18Å; D192-I195 CarbonylContact O-C 3.39Å; D192-I195 WeakPolarHBondContact O-CA 3.45Å; D192-I195 WeakPolarHBondContact O-CB 3.45Å; D192-I195 PolarHBondContact O-N 3.39Å; D192-R196 WeakPolarHBondContact O-CG 3.39Å; D192-R196 PolarHBondContact O-N 3.22Å; D192-R196 IonicContact OD1-NE 2.73Å; D192-R196 PolarHBondContact OD1-NE 3.26Å; D192-R196 IonicContact OD1-NH2 3.26Å; D192-R196 IonicContact OD2-NE 2.74Å; D192-L204 WeakPolarHBondContact OD1-CD1 3.28Å; D192-S231 WeakPolarHBondContact OD1-CB 3.28Å; D192-S231 PolarHBondContact OD1-OG 3.44Å; D192-S242 VanDerWaalsContact OD2-CB 3.3Å; D192-S242 WeakPolarHBondContact OD2-CB 3.25Å; D192-S242 PolarHBondContact OD2-OG 2.93Å; D192-I244 HydrophobicContact CB-CD1 3.85Å
193	A	97.5	Very high	97	Very high	57 Å²	57	47.7 Å²	47.7	47%	0.471	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-40.4	-179.3	0	0	0	0	0	112.3	M189 R190 R196 A197	M189-A193 PolarHBondContact O-N 2.73Å; R190-A193 PolarHBondContact O-N 2.76Å; A193-R196 PolarHBondContact O-N 2.87Å; A193-A197 WeakPolarHBondContact O-CB 3.42Å; A193-A197 PolarHBondContact O-N 3.21Å
194	V	98.1	Very high	97	Very high	35 Å²	35	45.6 Å²	45.6	21%	0.212	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-47.5	173.6	169.2	0	0	0	0	110.9	A151 K156 I157 R190 L191 D192 R196 A197 T198	A151-V194 HydrophobicContact CB-CG1 4.36Å; K156-V194 HydrophobicContact CB-CG1 3.79Å; I157-V194 HydrophobicContact CD1-CG1 4Å; I157-V194 HydrophobicContact CG1-CG1 3.65Å; R190-V194 WeakPolarHBondContact O-CG2 3.23Å; R190-V194 PolarHBondContact O-N 2.91Å; L191-V194 PolarHBondContact O-N 3.47Å; D192-V194 VanDerWaalsContact C-N 3.29Å; D192-V194 PolarHBondContact O-N 3.18Å; V194-R196 VanDerWaalsContact C-N 3.35Å; V194-R196 PolarHBondContact O-N 2.76Å; V194-A197 PolarHBondContact O-N 2.85Å; V194-T198 VanDerWaalsContact O-CG2 3.32Å; V194-T198 WeakPolarHBondContact O-CG2 3.29Å; V194-T198 PolarHBondContact O-N 3.03Å
195	I	98.3	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-42.6	177	-67	161.8	0	0	0	111	W131 M133 V148 I157 L191 D192 A197 T198 V200 L204	W131-I195 HydrophobicContact CB-CD1 3.72Å; W131-I195 HydrophobicContact CG-CD1 4.08Å; M133-I195 HydrophobicContact CE-CG2 3.7Å; V148-I195 HydrophobicContact CG1-CG1 4.49Å; V148-I195 HydrophobicContact CG1-CG2 4.43Å; I157-I195 HydrophobicContact CD1-CG1 4.4Å; L191-I195 HydrophobicContact CD1-CD1 4.43Å; L191-I195 HydrophobicContact CG-CD1 4.11Å; L191-I195 WeakPolarHBondContact O-CD1 3.41Å; L191-I195 VanDerWaalsContact O-CG1 3.29Å; L191-I195 WeakPolarHBondContact O-CG1 3.2Å; L191-I195 PolarHBondContact O-N 3.43Å; D192-I195 CarbonylContact O-C 3.39Å; D192-I195 WeakPolarHBondContact O-CA 3.45Å; D192-I195 WeakPolarHBondContact O-CB 3.45Å; D192-I195 PolarHBondContact O-N 3.39Å; I195-A197 VanDerWaalsContact C-N 3.34Å; I195-A197 PolarHBondContact O-N 3.39Å; I195-T198 PolarHBondContact O-N 3.03Å; I195-T198 PolarHBondContact O-OG1 3.45Å; I195-V200 HydrophobicContact CG2-CB 3.82Å; I195-V200 HydrophobicContact CG2-CG1 3.88Å; I195-V200 HydrophobicContact CG2-CG2 4.36Å; I195-L204 HydrophobicContact CB-CD1 4.33Å; I195-L204 HydrophobicContact CD1-CD1 4.18Å; I195-L204 HydrophobicContact CG2-CD1 3.82Å; I195-L204 HydrophobicContact CG2-CD2 4.42Å
196	R	97.3	Very high	97.2	Very high	23 Å²	23	41 Å²	41	9%	0.087	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-38.3	177.7	-62.8	-41	-173.8	179.1	-2	112.2	D192 A193 V194 T198 G199 V200 C202 S231 Y233 S242	D192-R196 WeakPolarHBondContact O-CG 3.39Å; D192-R196 PolarHBondContact O-N 3.22Å; D192-R196 IonicContact OD1-NE 2.73Å; D192-R196 PolarHBondContact OD1-NE 3.26Å; D192-R196 IonicContact OD1-NH2 3.26Å; D192-R196 IonicContact OD2-NE 2.74Å; A193-R196 PolarHBondContact O-N 2.87Å; V194-R196 VanDerWaalsContact C-N 3.35Å; V194-R196 PolarHBondContact O-N 2.76Å; R196-T198 PolarHBondContact O-N 2.91Å; R196-G199 WeakPolarHBondContact O-CA 3.38Å; R196-G199 PolarHBondContact O-N 2.79Å; R196-V200 WeakPolarHBondContact CD-O 3.14Å; R196-V200 PolarHBondContact NH1-O 3.36Å; R196-C202 PolarHBondContact NH1-O 3.04Å; R196-C202 PolarHBondContact NH2-O 2.97Å; R196-S231 PolarHBondContact NH2-O 3.39Å; R196-S231 PolarHBondContact NH2-OG 3.11Å; R196-Y233 HydrophobicContact CB-CE2 4.35Å; R196-Y233 HydrophobicContact CG-CD2 4.16Å; R196-Y233 HydrophobicContact CG-CE2 4.35Å; R196-S242 VanDerWaalsContact CG-OG 3.27Å; R196-S242 WeakPolarHBondContact CG-OG 3.44Å; R196-S242 PolarHBondContact NE-OG 3.33Å; R196-S242 VanDerWaalsContact NE-OG 3.08Å
197	A	97	Very high	97.2	Very high	90 Å²	90	36.4 Å²	36.4	74%	0.744	22%	0.219	S	C	*	.	H	α-helix	trans	-63.1	-22	177.7	0	0	0	0	0	112.8	A193 V194 I195 G199	A193-A197 WeakPolarHBondContact O-CB 3.42Å; A193-A197 PolarHBondContact O-N 3.21Å; V194-A197 PolarHBondContact O-N 2.85Å; I195-A197 VanDerWaalsContact C-N 3.34Å; I195-A197 PolarHBondContact O-N 3.39Å; A197-G199 PolarHBondContact O-N 3.28Å
198	T	96.6	Very high	97.3	Very high	36 Å²	36	34.6 Å²	34.6	22%	0.221	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.8	171.8	82.1	0	0	0	0	113.3	C147 A151 V194 I195 R196	C147-T198 WeakPolarHBondContact CB-OG1 3.45Å; C147-T198 PolarHBondContact SG-O 2.82Å; A151-T198 HydrophobicContact CB-CG2 3.82Å; V194-T198 VanDerWaalsContact O-CG2 3.32Å; V194-T198 WeakPolarHBondContact O-CG2 3.29Å; V194-T198 PolarHBondContact O-N 3.03Å; I195-T198 PolarHBondContact O-N 3.03Å; I195-T198 PolarHBondContact O-OG1 3.45Å; R196-T198 PolarHBondContact O-N 2.91Å
199	G	94.4	Very high	97.3	Very high	46 Å²	46	34.9 Å²	34.9	47%	0.474	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	5	-179.6	0	0	0	0	0	115.4	R196 A197	R196-G199 WeakPolarHBondContact O-CA 3.38Å; R196-G199 PolarHBondContact O-N 2.79Å; A197-G199 PolarHBondContact O-N 3.28Å
200	V	95.2	Very high	97.3	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.055	21%	0.207	C	C	.	.			trans	-74.5	124	177.7	172.5	0	0	0	0	111	M133 A144 C147 V148 I195 R196 C202 L204	M133-V200 HydrophobicContact CE-CG1 4.1Å; M133-V200 HydrophobicContact SD-CG1 3.88Å; A144-V200 HydrophobicContact CB-CG2 4.34Å; C147-V200 HydrophobicContact CB-CG2 4.45Å; V148-V200 HydrophobicContact CG1-CG2 4.39Å; I195-V200 HydrophobicContact CG2-CB 3.82Å; I195-V200 HydrophobicContact CG2-CG1 3.88Å; I195-V200 HydrophobicContact CG2-CG2 4.36Å; R196-V200 WeakPolarHBondContact CD-O 3.14Å; R196-V200 PolarHBondContact NH1-O 3.36Å; V200-C202 VanDerWaalsContact CG1-SG 3.56Å; V200-L204 HydrophobicContact CG1-CD2 4.39Å
201	K	94.6	Very high	97.4	Very high	114 Å²	114	27.7 Å²	27.7	50%	0.496	18%	0.184	S	C	.	.			trans	-120.5	-1.8	-174.7	-61.3	173.5	-171	167.8	0	114.6	Y233 L235	K201-Y233 HydrophobicContact CB-CD1 3.99Å; K201-Y233 HydrophobicContact CB-CG 4.05Å; K201-Y233 HydrophobicContact CD-CD1 4.18Å; K201-Y233 HydrophobicContact CD-CE1 4.05Å; K201-Y233 HydrophobicContact CG-CD1 3.78Å; K201-Y233 HydrophobicContact CG-CD2 4.44Å; K201-Y233 HydrophobicContact CG-CE1 3.91Å; K201-Y233 HydrophobicContact CG-CG 4.05Å; K201-Y233 WeakPolarHBondContact O-CB 3.24Å; K201-L235 HydrophobicContact CD-CD2 4.18Å
202	C	94.4	Very high	97.3	Very high	37 Å²	37	28.4 Å²	28.4	25%	0.25	19%	0.189	C	C	.	.	S	Bend	trans	-68.6	162.8	177	57.6	0	0	0	0	111.4	L135 R196 V200 L204	L135-C202 HydrophobicContact CD2-CB 4.27Å; R196-C202 PolarHBondContact NH1-O 3.04Å; R196-C202 PolarHBondContact NH2-O 2.97Å; V200-C202 VanDerWaalsContact CG1-SG 3.56Å; C202-L204 PolarHBondContact O-N 3.18Å
203	S	97.1	Very high	97.2	Very high	67 Å²	67	32 Å²	32	47%	0.469	20%	0.203	S	C	.	.			trans	-61.5	136.5	172.8	-54.8	0	0	0	0	110.4	S231	S203-S231 WeakPolarHBondContact CA-O 3.29Å
204	L	98.5	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.7	173.6	-46.8	177.7	0	0	0	108.9	W131 L132 M133 D192 I195 V200 C202 E230 S231	W131-L204 HydrophobicContact CD2-CB 4.06Å; W131-L204 HydrophobicContact CD2-CD1 4.47Å; W131-L204 HydrophobicContact CE3-CB 3.34Å; W131-L204 HydrophobicContact CZ3-CB 3.76Å; W131-L204 WeakPolarHBondContact CZ3-O 3.36Å; L132-L204 WeakPolarHBondContact O-CA 3.27Å; M133-L204 HydrophobicContact CB-CD2 3.61Å; M133-L204 HydrophobicContact CE-CD2 3.88Å; M133-L204 HydrophobicContact CG-CD2 4.49Å; M133-L204 HydrophobicContact SD-CD2 4.5Å; D192-L204 WeakPolarHBondContact OD1-CD1 3.28Å; I195-L204 HydrophobicContact CB-CD1 4.33Å; I195-L204 HydrophobicContact CD1-CD1 4.18Å; I195-L204 HydrophobicContact CG2-CD1 3.82Å; I195-L204 HydrophobicContact CG2-CD2 4.42Å; V200-L204 HydrophobicContact CG1-CD2 4.39Å; C202-L204 PolarHBondContact O-N 3.18Å; L204-E230 WeakPolarHBondContact O-CA 3.47Å; L204-S231 PolarHBondContact N-O 2.59Å; L204-S231 PolarHBondContact O-N 3.44Å
205	S	98.6	Very high	97.2	Very high	29 Å²	29	29.2 Å²	29.2	20%	0.203	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.3	173.1	-55.1	0	0	0	0	109.9	L132	L132-S205 VanDerWaalsContact CB-O 3.3Å; L132-S205 WeakPolarHBondContact CB-O 3.49Å; L132-S205 WeakPolarHBondContact CG-O 3.43Å; L132-S205 PolarHBondContact N-O 3.17Å; L132-S205 PolarHBondContact O-N 3.37Å
206	F	98.8	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.8	-176.1	-170.6	-82.8	0	0	0	111.1	K130 W131 N179 F182 V188 P208 T227 I228 Y229	K130-F206 CarbonylContact O-C 3.42Å; K130-F206 WeakPolarHBondContact O-CA 3.34Å; W131-F206 AromaticContact CD1-CD2 3.83Å; W131-F206 HydrophobicContact CD2-CB 3.91Å; W131-F206 AromaticContact CD2-CD2 3.79Å; W131-F206 HydrophobicContact CD2-CD2 3.79Å; W131-F206 HydrophobicContact CD2-CG 4.35Å; W131-F206 AromaticContact CE2-CD2 3.76Å; W131-F206 HydrophobicContact CE3-CB 3.66Å; W131-F206 HydrophobicContact CE3-CD2 4.41Å; W131-F206 AromaticContact CG-CD2 3.87Å; W131-F206 HydrophobicContact CG-CD2 3.87Å; W131-F206 HydrophobicContact CH2-CB 3.92Å; W131-F206 HydrophobicContact CZ2-CB 4.13Å; W131-F206 HydrophobicContact CZ2-CD2 4.38Å; W131-F206 HydrophobicContact CZ3-CB 3.67Å; W131-F206 AromaticContact NE1-CD2 3.76Å; N179-F206 VanDerWaalsContact OD1-CE2 3.25Å; N179-F206 WeakPolarHBondContact OD1-CE2 3.15Å; N179-F206 WeakPolarHBondContact OD1-CZ 3.44Å; F182-F206 HydrophobicContact CB-CE1 3.64Å; F182-F206 HydrophobicContact CB-CZ 3.79Å; V188-F206 HydrophobicContact CB-CE2 4.3Å; V188-F206 HydrophobicContact CG1-CD2 3.62Å; V188-F206 HydrophobicContact CG1-CE2 3.78Å; V188-F206 HydrophobicContact CG1-CG 4.05Å; V188-F206 HydrophobicContact CG1-CZ 4.36Å; V188-F206 HydrophobicContact CG2-CD2 4.47Å; V188-F206 HydrophobicContact CG2-CE1 4.33Å; V188-F206 HydrophobicContact CG2-CE2 3.83Å; V188-F206 HydrophobicContact CG2-CZ 3.73Å; F206-P208 HydrophobicContact CE1-CG 4.37Å; F206-T227 CarbonylContact O-C 3.51Å; F206-T227 WeakPolarHBondContact O-CA 3.46Å; F206-T227 VanDerWaalsContact O-CB 3.28Å; F206-T227 WeakPolarHBondContact O-CB 3.49Å; F206-I228 HydrophobicContact CD1-CD1 4.02Å; F206-I228 HydrophobicContact CD1-CG1 3.68Å; F206-I228 HydrophobicContact CE1-CD1 4.16Å; F206-I228 HydrophobicContact CE1-CG1 4.3Å; F206-I228 PolarHBondContact O-N 3.02Å; F206-Y229 HydrophobicContact CB-CD2 4.11Å; F206-Y229 HydrophobicContact CB-CG 4.43Å; F206-Y229 HydrophobicContact CD1-CD2 4.05Å; F206-Y229 HydrophobicContact CG-CD2 4.13Å; F206-Y229 PolarHBondContact N-O 2.93Å
207	K	98.7	Very high	97.1	Very high	11 Å²	11	29.5 Å²	29.5	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.1	176.9	-179.3	169.5	-172.4	-174.2	0	110.6	K130 L132 T212 I216 Y217 P226 T227	K130-K207 PolarHBondContact N-O 2.78Å; K130-K207 PolarHBondContact O-N 2.96Å; L132-K207 HydrophobicContact CD1-CB 3.88Å; L132-K207 HydrophobicContact CD1-CD 4.48Å; L132-K207 HydrophobicContact CG-CB 4.45Å; K207-T212 WeakPolarHBondContact CE-OG1 3.4Å; K207-T212 PolarHBondContact NZ-OG1 3.2Å; K207-I216 WeakPolarHBondContact CE-O 3.43Å; K207-I216 PolarHBondContact NZ-O 3.36Å; K207-Y217 VanDerWaalsContact NZ-CD1 3.25Å; K207-P226 VanDerWaalsContact CG-O 3.28Å; K207-P226 WeakPolarHBondContact CG-O 3.46Å; K207-T227 HydrophobicContact CB-CG2 4.38Å
208	P	98.5	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	142.8	169.5	-22.5	36.5	0	0	0	111.3	F182 F206 V210 Y211 I228	F182-P208 HydrophobicContact CB-CB 4.44Å; F182-P208 HydrophobicContact CD1-CB 3.87Å; F182-P208 HydrophobicContact CD2-CB 4.05Å; F182-P208 HydrophobicContact CD2-CG 3.96Å; F182-P208 HydrophobicContact CE1-CB 4.13Å; F182-P208 HydrophobicContact CE2-CB 4.27Å; F182-P208 HydrophobicContact CE2-CG 4.3Å; F182-P208 HydrophobicContact CG-CB 3.88Å; F182-P208 HydrophobicContact CG-CG 4.18Å; F182-P208 HydrophobicContact CZ-CB 4.33Å; F206-P208 HydrophobicContact CE1-CG 4.37Å; P208-V210 VanDerWaalsContact C-N 3.25Å; P208-V210 HydrophobicContact CB-CG1 3.74Å; P208-V210 PolarHBondContact O-N 3.34Å; P208-Y211 WeakPolarHBondContact O-CB 3.16Å; P208-Y211 PolarHBondContact O-N 2.77Å; P208-I228 HydrophobicContact CG-CD1 3.56Å; P208-I228 HydrophobicContact CG-CG1 3.82Å; P208-I228 HydrophobicContact CG-CG2 4.03Å
209	D	97.6	Very high	96.9	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.032	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-30.1	179.3	-82.8	-41.6	0	0	0	112.9	T128 K130 Y211 T212 Y213	T128-D209 WeakPolarHBondContact CB-OD2 3.35Å; T128-D209 VanDerWaalsContact O-CB 3.31Å; T128-D209 WeakPolarHBondContact O-CB 3.44Å; T128-D209 PolarHBondContact O-N 3.01Å; T128-D209 PolarHBondContact OG1-OD2 3.45Å; K130-D209 WeakPolarHBondContact CE-OD1 3.43Å; K130-D209 IonicContact NZ-OD1 3.68Å; K130-D209 PolarHBondContact NZ-OD1 2.81Å; D209-Y211 PolarHBondContact O-N 2.93Å; D209-Y211 VanDerWaalsContact O-N 3.15Å; D209-T212 WeakPolarHBondContact O-CA 3.36Å; D209-T212 WeakPolarHBondContact O-CB 3.18Å; D209-T212 PolarHBondContact O-N 3.43Å; D209-Y213 HydrophobicContact CB-CD2 4.13Å; D209-Y213 HydrophobicContact CB-CE2 3.76Å; D209-Y213 WeakPolarHBondContact O-CD2 3.5Å; D209-Y213 PolarHBondContact O-N 2.81Å
210	V	98.4	Very high	96.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-52.7	-36.7	171.6	62.8	0	0	0	0	111.8	L98 V117 A121 V126 F182 P208 T212 Y213 L214	L98-V210 HydrophobicContact CD1-CG2 3.97Å; L98-V210 HydrophobicContact CD2-CG2 3.97Å; V117-V210 HydrophobicContact CG1-CB 4.44Å; V117-V210 HydrophobicContact CG1-CG1 3.93Å; V117-V210 HydrophobicContact CG1-CG2 3.65Å; A121-V210 HydrophobicContact CB-CB 3.9Å; A121-V210 HydrophobicContact CB-CG1 3.94Å; A121-V210 HydrophobicContact CB-CG2 3.98Å; V126-V210 HydrophobicContact CG1-CB 4.45Å; F182-V210 HydrophobicContact CE1-CG1 4.06Å; F182-V210 HydrophobicContact CZ-CG1 4.11Å; P208-V210 VanDerWaalsContact C-N 3.25Å; P208-V210 HydrophobicContact CB-CG1 3.74Å; P208-V210 PolarHBondContact O-N 3.34Å; V210-T212 VanDerWaalsContact C-N 3.35Å; V210-T212 PolarHBondContact O-N 3.36Å; V210-Y213 PolarHBondContact O-N 3.28Å; V210-L214 HydrophobicContact CG2-CD1 3.69Å; V210-L214 HydrophobicContact CG2-CG 4.05Å; V210-L214 WeakPolarHBondContact O-CB 3.23Å; V210-L214 WeakPolarHBondContact O-CG 3.45Å; V210-L214 PolarHBondContact O-N 3.44Å
211	Y	98.5	Very high	96.9	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-36.3	176.2	-75.3	2.6	0	0	0	112.3	F114 V117 P208 D209 G215 I216 C225 I228	F114-Y211 WeakPolarHBondContact CD2-OH 3.35Å; V117-Y211 HydrophobicContact CB-CE1 3.99Å; V117-Y211 HydrophobicContact CG1-CD1 3.7Å; V117-Y211 HydrophobicContact CG1-CE1 3.54Å; V117-Y211 HydrophobicContact CG2-CE1 4.43Å; P208-Y211 WeakPolarHBondContact O-CB 3.16Å; P208-Y211 PolarHBondContact O-N 2.77Å; D209-Y211 PolarHBondContact O-N 2.93Å; D209-Y211 VanDerWaalsContact O-N 3.15Å; Y211-G215 PolarHBondContact O-N 3.3Å; Y211-I216 HydrophobicContact CD1-CB 4.4Å; Y211-I216 HydrophobicContact CD1-CD1 3.82Å; Y211-I216 HydrophobicContact CD1-CG2 4.49Å; Y211-I216 HydrophobicContact CD2-CG2 4.27Å; Y211-I216 HydrophobicContact CE1-CD1 4.15Å; Y211-I216 HydrophobicContact CG-CB 4.15Å; Y211-I216 HydrophobicContact CG-CD1 4.43Å; Y211-I216 HydrophobicContact CG-CG2 4.18Å; Y211-I216 WeakPolarHBondContact O-CA 3.34Å; Y211-I216 PolarHBondContact O-N 2.99Å; Y211-C225 VanDerWaalsContact CE2-O 3.3Å; Y211-C225 WeakPolarHBondContact CE2-O 3.2Å; Y211-I228 HydrophobicContact CE2-CG2 3.94Å
212	T	96.9	Very high	97	Very high	26 Å²	26	38.4 Å²	38.4	16%	0.16	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-48.4	174.6	-77.1	0	0	0	0	111	K207 D209 V210 L214 G215 Y217	K207-T212 WeakPolarHBondContact CE-OG1 3.4Å; K207-T212 PolarHBondContact NZ-OG1 3.2Å; D209-T212 WeakPolarHBondContact O-CA 3.36Å; D209-T212 WeakPolarHBondContact O-CB 3.18Å; D209-T212 PolarHBondContact O-N 3.43Å; V210-T212 VanDerWaalsContact C-N 3.35Å; V210-T212 PolarHBondContact O-N 3.36Å; T212-L214 VanDerWaalsContact C-N 3.28Å; T212-L214 PolarHBondContact O-N 2.9Å; T212-G215 PolarHBondContact O-N 3.41Å; T212-Y217 WeakPolarHBondContact CG2-OH 3.33Å
213	Y	97.1	Very high	97	Very high	81 Å²	81	43.9 Å²	43.9	32%	0.318	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-29	-179.7	-66	-57	0	0	0	114	I95 V126 D209 V210	I95-Y213 HydrophobicContact CD1-CD1 4.35Å; I95-Y213 HydrophobicContact CD1-CE1 3.75Å; I95-Y213 HydrophobicContact CD1-CE2 4.3Å; I95-Y213 HydrophobicContact CG1-CE1 4.38Å; I95-Y213 HydrophobicContact CG1-CE2 4.39Å; I95-Y213 HydrophobicContact CG2-CD1 3.98Å; I95-Y213 HydrophobicContact CG2-CE1 4.42Å; I95-Y213 HydrophobicContact CG2-CG 4.24Å; V126-Y213 HydrophobicContact CG1-CD2 3.52Å; V126-Y213 HydrophobicContact CG1-CE2 3.67Å; D209-Y213 HydrophobicContact CB-CD2 4.13Å; D209-Y213 HydrophobicContact CB-CE2 3.76Å; D209-Y213 WeakPolarHBondContact O-CD2 3.5Å; D209-Y213 PolarHBondContact O-N 2.81Å; V210-Y213 PolarHBondContact O-N 3.28Å
214	L	97.4	Very high	97	Very high	12 Å²	12	42 Å²	42	6%	0.063	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.3	178	-60.3	-174.3	0	0	0	113.9	L98 W102 V117 V210 T212 I216	L98-L214 HydrophobicContact CD1-CD1 4.37Å; L98-L214 HydrophobicContact CD1-CD2 4.12Å; L98-L214 HydrophobicContact CD2-CD2 4.18Å; L98-L214 HydrophobicContact CD2-CG 4.47Å; L98-L214 HydrophobicContact CG-CD2 3.83Å; L98-L214 HydrophobicContact CG-CG 4.5Å; W102-L214 HydrophobicContact CB-CD1 4.46Å; W102-L214 HydrophobicContact CB-CD2 3.53Å; W102-L214 HydrophobicContact CD2-CB 4.41Å; W102-L214 HydrophobicContact CD2-CD1 3.86Å; W102-L214 HydrophobicContact CD2-CD2 4.1Å; W102-L214 HydrophobicContact CD2-CG 4.34Å; W102-L214 HydrophobicContact CE3-CD1 3.84Å; W102-L214 HydrophobicContact CG-CD1 4.17Å; W102-L214 HydrophobicContact CG-CD2 3.53Å; W102-L214 HydrophobicContact CG-CG 4.26Å; W102-L214 HydrophobicContact CZ2-CB 4.44Å; W102-L214 HydrophobicContact CZ3-CD1 4.24Å; V117-L214 HydrophobicContact CG1-CD1 3.83Å; V210-L214 HydrophobicContact CG2-CD1 3.69Å; V210-L214 HydrophobicContact CG2-CG 4.05Å; V210-L214 WeakPolarHBondContact O-CB 3.23Å; V210-L214 WeakPolarHBondContact O-CG 3.45Å; V210-L214 PolarHBondContact O-N 3.44Å; T212-L214 VanDerWaalsContact C-N 3.28Å; T212-L214 PolarHBondContact O-N 2.9Å; L214-I216 VanDerWaalsContact C-N 3.29Å; L214-I216 HydrophobicContact CB-CD1 4.14Å; L214-I216 HydrophobicContact CB-CG1 4.2Å; L214-I216 HydrophobicContact CD1-CD1 4.48Å; L214-I216 PolarHBondContact O-N 3.16Å
215	G	96.7	Very high	96.9	Very high	22 Å²	22	44.6 Å²	44.6	23%	0.227	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	21.2	179.8	0	0	0	0	0	114.4	Y211 T212 Y217	Y211-G215 PolarHBondContact O-N 3.3Å; T212-G215 PolarHBondContact O-N 3.41Å; G215-Y217 PolarHBondContact O-N 3.14Å
216	I	97.8	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.212	C	C	.	.			trans	-82.7	96.1	177.4	-57	170.2	0	0	0	108.5	W102 V117 K207 Y211 L214 W222 L224	W102-I216 HydrophobicContact CH2-CD1 4.14Å; W102-I216 HydrophobicContact CZ2-CD1 4.34Å; W102-I216 HydrophobicContact CZ2-CG1 4.49Å; V117-I216 HydrophobicContact CG1-CD1 4.31Å; V117-I216 HydrophobicContact CG2-CD1 3.99Å; K207-I216 WeakPolarHBondContact CE-O 3.43Å; K207-I216 PolarHBondContact NZ-O 3.36Å; Y211-I216 HydrophobicContact CD1-CB 4.4Å; Y211-I216 HydrophobicContact CD1-CD1 3.82Å; Y211-I216 HydrophobicContact CD1-CG2 4.49Å; Y211-I216 HydrophobicContact CD2-CG2 4.27Å; Y211-I216 HydrophobicContact CE1-CD1 4.15Å; Y211-I216 HydrophobicContact CG-CB 4.15Å; Y211-I216 HydrophobicContact CG-CD1 4.43Å; Y211-I216 HydrophobicContact CG-CG2 4.18Å; Y211-I216 WeakPolarHBondContact O-CA 3.34Å; Y211-I216 PolarHBondContact O-N 2.99Å; L214-I216 VanDerWaalsContact C-N 3.29Å; L214-I216 HydrophobicContact CB-CD1 4.14Å; L214-I216 HydrophobicContact CB-CG1 4.2Å; L214-I216 HydrophobicContact CD1-CD1 4.48Å; L214-I216 PolarHBondContact O-N 3.16Å; I216-W222 HydrophobicContact CG1-CE3 4.27Å; I216-W222 HydrophobicContact CG1-CZ3 3.96Å; I216-L224 HydrophobicContact CD1-CD1 4.16Å; I216-L224 HydrophobicContact CG2-CB 4.16Å; I216-L224 HydrophobicContact CG2-CD1 4.47Å
217	Y	96.8	Very high	96.8	Very high	28 Å²	28	45.4 Å²	45.4	11%	0.11	22%	0.217	C	C	.	.			trans	-116.9	-175.5	175.1	-72.6	-88.5	0	0	0	111	Y28 A29 S32 K207 T212 G215 N220	Y28-Y217 HydrophobicContact CG-CD1 4.3Å; Y28-Y217 HydrophobicContact CG-CG 4.46Å; A29-Y217 VanDerWaalsContact CA-CE2 3.45Å; A29-Y217 HydrophobicContact CB-CD2 3.84Å; A29-Y217 HydrophobicContact CB-CE2 3.61Å; S32-Y217 VanDerWaalsContact CB-OH 3.23Å; S32-Y217 WeakPolarHBondContact CB-OH 3.32Å; S32-Y217 PolarHBondContact OG-OH 3.25Å; K207-Y217 VanDerWaalsContact NZ-CD1 3.25Å; T212-Y217 WeakPolarHBondContact CG2-OH 3.33Å; G215-Y217 PolarHBondContact O-N 3.14Å; Y217-N220 WeakPolarHBondContact O-CB 3.29Å; Y217-N220 PolarHBondContact O-N 2.96Å; Y217-N220 PolarHBondContact O-ND2 3.44Å
218	R	94	Very high	96.8	Very high	168 Å²	168	45 Å²	45	63%	0.634	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	147.4	171.8	-165.4	179.4	-171.6	177.1	3	109.3	A25 Y28 N220	A25-R218 WeakPolarHBondContact CA-O 3.4Å; A25-R218 WeakPolarHBondContact CB-O 3.37Å; A25-R218 PolarHBondContact N-O 2.73Å; Y28-R218 HydrophobicContact CE2-CB 4.22Å; R218-N220 VanDerWaalsContact C-N 3.26Å; R218-N220 PolarHBondContact O-N 3.42Å
219	N	93.8	Very high	96.8	Very high	84 Å²	84	45.7 Å²	45.7	45%	0.449	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	29.6	-179.9	-51.3	-27.9	0	0	0	113.9	P22 L23	P22-N219 WeakPolarHBondContact CB-ND2 3.43Å; L23-N219 PolarHBondContact O-ND2 3.43Å
220	N	96.4	Very high	96.9	Very high	6 Å²	6	48 Å²	48	3%	0.032	23%	0.229	C	C	.	.			trans	-71.5	150.4	172.3	68.2	84.7	0	0	0	111.3	A25 Y217 R218 W222 N223 L224	A25-N220 HydrophobicContact CB-CB 3.94Å; Y217-N220 WeakPolarHBondContact O-CB 3.29Å; Y217-N220 PolarHBondContact O-N 2.96Å; Y217-N220 PolarHBondContact O-ND2 3.44Å; R218-N220 VanDerWaalsContact C-N 3.26Å; R218-N220 PolarHBondContact O-N 3.42Å; N220-W222 HydrophobicContact CB-CE3 3.9Å; N220-W222 HydrophobicContact CB-CZ3 4.18Å; N220-W222 PolarHBondContact O-N 3.46Å; N220-W222 WeakPolarHBondContact OD1-CA 3.16Å; N220-W222 WeakPolarHBondContact OD1-CB 3.22Å; N220-W222 PolarHBondContact OD1-N 3.08Å; N220-W222 VanDerWaalsContact OD1-N 3.11Å; N220-N223 PolarHBondContact O-N 3.47Å; N220-N223 VanDerWaalsContact O-N 3.07Å; N220-N223 PolarHBondContact OD1-N 3.42Å; N220-L224 PolarHBondContact ND2-O 3.31Å; N220-L224 PolarHBondContact OD1-N 2.98Å; N220-L224 VanDerWaalsContact OD1-N 3.12Å
221	R	95.1	Very high	96.9	Very high	168 Å²	168	48 Å²	48	63%	0.634	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.9	-179.1	62.6	-175.9	158.9	-173.1	-6.7	116
222	W	95.7	Very high	96.8	Very high	56 Å²	56	52.6 Å²	52.6	21%	0.212	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	0.3	179.7	-49.5	-75.2	0	0	0	112.8	W102 L106 I112 I216 N220 L224	W102-W222 HydrophobicContact CH2-CH2 4.33Å; W102-W222 HydrophobicContact CH2-CZ2 4.15Å; W102-W222 HydrophobicContact CZ2-CE3 4.42Å; W102-W222 AromaticContact CZ2-CH2 3.44Å; W102-W222 HydrophobicContact CZ2-CH2 3.44Å; W102-W222 VanDerWaalsContact CZ2-CH2 3.44Å; W102-W222 AromaticContact CZ2-CZ2 3.49Å; W102-W222 HydrophobicContact CZ2-CZ2 3.49Å; W102-W222 VanDerWaalsContact CZ2-CZ2 3.49Å; W102-W222 AromaticContact CZ2-CZ3 3.93Å; W102-W222 HydrophobicContact CZ2-CZ3 3.93Å; L106-W222 HydrophobicContact CD1-CZ2 4.38Å; L106-W222 HydrophobicContact CD2-CZ2 3.51Å; I112-W222 HydrophobicContact CB-CB 4.22Å; I112-W222 HydrophobicContact CB-CG 3.87Å; I112-W222 VanDerWaalsContact CG1-CD1 3.43Å; I112-W222 HydrophobicContact CG1-CG 4.14Å; I112-W222 HydrophobicContact CG2-CB 4.16Å; I112-W222 HydrophobicContact CG2-CD2 4.21Å; I112-W222 HydrophobicContact CG2-CG 3.84Å; I216-W222 HydrophobicContact CG1-CE3 4.27Å; I216-W222 HydrophobicContact CG1-CZ3 3.96Å; N220-W222 HydrophobicContact CB-CE3 3.9Å; N220-W222 HydrophobicContact CB-CZ3 4.18Å; N220-W222 PolarHBondContact O-N 3.46Å; N220-W222 WeakPolarHBondContact OD1-CA 3.16Å; N220-W222 WeakPolarHBondContact OD1-CB 3.22Å; N220-W222 PolarHBondContact OD1-N 3.08Å; N220-W222 VanDerWaalsContact OD1-N 3.11Å; W222-L224 HydrophobicContact CB-CD1 4.49Å; W222-L224 HydrophobicContact CB-CG 4.11Å; W222-L224 PolarHBondContact O-N 3.44Å; W222-L224 VanDerWaalsContact O-N 3.09Å
223	N	95.2	Very high	96.7	Very high	153 Å²	153	53.9 Å²	53.9	82%	0.818	25%	0.251	S	S	*	.			trans	53.8	25.2	-174.4	-60.8	-51	0	0	0	113.6	N220	N220-N223 PolarHBondContact O-N 3.47Å; N220-N223 VanDerWaalsContact O-N 3.07Å; N220-N223 PolarHBondContact OD1-N 3.42Å
224	L	96.8	Very high	96.4	Very high	26 Å²	26	51.7 Å²	51.7	14%	0.136	25%	0.245	C	C	.	.			trans	-72.5	136	175.2	-75	-178.1	0	0	0	110.1	I112 V117 I216 N220 W222 P226	I112-L224 HydrophobicContact CG2-CD1 3.79Å; V117-L224 HydrophobicContact CG2-CD1 4.39Å; I216-L224 HydrophobicContact CD1-CD1 4.16Å; I216-L224 HydrophobicContact CG2-CB 4.16Å; I216-L224 HydrophobicContact CG2-CD1 4.47Å; N220-L224 PolarHBondContact ND2-O 3.31Å; N220-L224 PolarHBondContact OD1-N 2.98Å; N220-L224 VanDerWaalsContact OD1-N 3.12Å; W222-L224 HydrophobicContact CB-CD1 4.49Å; W222-L224 HydrophobicContact CB-CG 4.11Å; W222-L224 PolarHBondContact O-N 3.44Å; W222-L224 VanDerWaalsContact O-N 3.09Å; L224-P226 WeakPolarHBondContact O-CD 3.2Å
225	C	96.9	Very high	96	Very high	56 Å²	56	56.1 Å²	56.1	38%	0.378	27%	0.268	S	S	.	.			trans	-66.4	125.4	168.1	-162.2	0	0	0	0	108.9	Y211 T227 K247	Y211-C225 VanDerWaalsContact CE2-O 3.3Å; Y211-C225 WeakPolarHBondContact CE2-O 3.2Å; C225-T227 PolarHBondContact O-N 3.36Å; C225-K247 WeakPolarHBondContact SG-CE 3.42Å; C225-K247 PolarHBondContact SG-NZ 2.82Å
226	P	97.3	Very high	95.7	Very high	28 Å²	28	63.6 Å²	63.6	18%	0.182	30%	0.297	C	S	.	.	S	Bend	trans	-76.2	10.5	-176.7	32.8	-38.1	0	0	0	113.2	K207 L224	K207-P226 VanDerWaalsContact CG-O 3.28Å; K207-P226 WeakPolarHBondContact CG-O 3.46Å; L224-P226 WeakPolarHBondContact O-CD 3.2Å
227	T	98.3	Very high	95	Very high	17 Å²	17	64.7 Å²	64.7	10%	0.104	31%	0.305	C	S	.	.			trans	-143.2	140.8	-178.5	51.5	0	0	0	0	108.5	F206 K207 C225 K247	F206-T227 CarbonylContact O-C 3.51Å; F206-T227 WeakPolarHBondContact O-CA 3.46Å; F206-T227 VanDerWaalsContact O-CB 3.28Å; F206-T227 WeakPolarHBondContact O-CB 3.49Å; K207-T227 HydrophobicContact CB-CG2 4.38Å; C225-T227 PolarHBondContact O-N 3.36Å; T227-K247 PolarHBondContact OG1-NZ 3.01Å
228	I	98.5	Very high	94.2	Very high	4 Å²	4	69.9 Å²	69.9	2%	0.021	34%	0.339	C	S	.	.	S	Bend	trans	-110.3	-17.8	-173.2	63.6	163	0	0	0	113.5	F114 F182 F206 P208 Y211 K247 V248	F114-I228 HydrophobicContact CD2-CG2 3.78Å; F114-I228 HydrophobicContact CE2-CB 4.4Å; F114-I228 HydrophobicContact CE2-CD1 4.1Å; F114-I228 HydrophobicContact CE2-CG2 3.68Å; F114-I228 HydrophobicContact CZ-CD1 4.37Å; F182-I228 HydrophobicContact CD2-CD1 3.99Å; F206-I228 HydrophobicContact CD1-CD1 4.02Å; F206-I228 HydrophobicContact CD1-CG1 3.68Å; F206-I228 HydrophobicContact CE1-CD1 4.16Å; F206-I228 HydrophobicContact CE1-CG1 4.3Å; F206-I228 PolarHBondContact O-N 3.02Å; P208-I228 HydrophobicContact CG-CD1 3.56Å; P208-I228 HydrophobicContact CG-CG1 3.82Å; P208-I228 HydrophobicContact CG-CG2 4.03Å; Y211-I228 HydrophobicContact CE2-CG2 3.94Å; I228-K247 PolarHBondContact O-N 3.05Å; I228-V248 HydrophobicContact CB-CG2 4Å; I228-V248 HydrophobicContact CG2-CG2 3.99Å
229	Y	98.7	Very high	93.7	Very high	13 Å²	13	66.6 Å²	66.6	5%	0.051	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.2	168.4	-59.8	-88	0	0	0	110.5	E185 V188 M189 F206 I244 V245 N246 V253	E185-Y229 HydrophobicContact CG-CE1 4.38Å; E185-Y229 WeakPolarHBondContact OE2-CE1 3.43Å; E185-Y229 PolarHBondContact OE2-OH 2.93Å; V188-Y229 HydrophobicContact CB-CE2 4.49Å; V188-Y229 HydrophobicContact CG1-CD2 3.76Å; V188-Y229 HydrophobicContact CG1-CE2 4.03Å; V188-Y229 HydrophobicContact CG1-CG 4.29Å; V188-Y229 HydrophobicContact CG2-CE2 4.35Å; M189-Y229 HydrophobicContact CE-CD1 3.73Å; M189-Y229 HydrophobicContact CE-CE1 3.57Å; M189-Y229 HydrophobicContact CE-CG 4.29Å; F206-Y229 HydrophobicContact CB-CD2 4.11Å; F206-Y229 HydrophobicContact CB-CG 4.43Å; F206-Y229 HydrophobicContact CD1-CD2 4.05Å; F206-Y229 HydrophobicContact CG-CD2 4.13Å; F206-Y229 PolarHBondContact N-O 2.93Å; Y229-I244 HydrophobicContact CD1-CG2 4.32Å; Y229-V245 VanDerWaalsContact CA-O 3.3Å; Y229-V245 WeakPolarHBondContact CA-O 3.16Å; Y229-N246 HydrophobicContact CD1-CB 3.86Å; Y229-N246 HydrophobicContact CE1-CB 3.62Å; Y229-N246 WeakPolarHBondContact CE1-ND2 3.44Å; Y229-N246 PolarHBondContact OH-ND2 3.27Å; Y229-V253 HydrophobicContact CD1-CG2 4.42Å; Y229-V253 HydrophobicContact CE1-CG2 4.38Å
230	E	98.4	Very high	93.3	Very high	55 Å²	55	70 Å²	70	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.7	166.5	177.6	177.3	-125.8	0	0	108.3	L204 K232 I244 V245 K247	L204-E230 WeakPolarHBondContact O-CA 3.47Å; E230-K232 HydrophobicContact CG-CG 4.41Å; E230-K232 WeakPolarHBondContact OE1-CE 3.22Å; E230-K232 IonicContact OE1-NZ 3.45Å; E230-K232 WeakPolarHBondContact OE2-CE 3.5Å; E230-K232 IonicContact OE2-NZ 3.96Å; E230-K232 PolarHBondContact OE2-NZ 2.8Å; E230-I244 CarbonylContact O-C 3.57Å; E230-I244 WeakPolarHBondContact O-CA 3.35Å; E230-V245 PolarHBondContact N-O 2.87Å; E230-V245 PolarHBondContact O-N 3.18Å; E230-K247 HydrophobicContact CB-CD 4.09Å; E230-K247 HydrophobicContact CB-CG 4.42Å
231	S	98.3	Very high	92.9	Very high	0 Å²	0	75 Å²	75	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122	176.4	165.8	0	0	0	0	109.8	D192 R196 S203 L204 S242 H243	D192-S231 WeakPolarHBondContact OD1-CB 3.28Å; D192-S231 PolarHBondContact OD1-OG 3.44Å; R196-S231 PolarHBondContact NH2-O 3.39Å; R196-S231 PolarHBondContact NH2-OG 3.11Å; S203-S231 WeakPolarHBondContact CA-O 3.29Å; L204-S231 PolarHBondContact N-O 2.59Å; L204-S231 PolarHBondContact O-N 3.44Å; S231-S242 PolarHBondContact OG-OG 3.36Å; S231-H243 WeakPolarHBondContact CA-O 3.13Å
232	K	97.1	Very high	92.8	Very high	101 Å²	101	67.5 Å²	67.5	44%	0.439	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.8	175.3	-69.1	176.9	-176.7	150.6	0	109.1	E230 D234 S242 H243	E230-K232 HydrophobicContact CG-CG 4.41Å; E230-K232 WeakPolarHBondContact OE1-CE 3.22Å; E230-K232 IonicContact OE1-NZ 3.45Å; E230-K232 WeakPolarHBondContact OE2-CE 3.5Å; E230-K232 IonicContact OE2-NZ 3.96Å; E230-K232 PolarHBondContact OE2-NZ 2.8Å; K232-D234 PolarHBondContact O-N 2.97Å; K232-S242 CarbonylContact O-C 3.53Å; K232-S242 WeakPolarHBondContact O-CA 3.38Å; K232-H243 PolarHBondContact N-O 3.42Å; K232-H243 PolarHBondContact O-N 3.28Å
233	Y	94.8	Very high	92.8	Very high	53 Å²	53	67.4 Å²	67.4	21%	0.208	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.4	176.6	-165.1	-94	0	0	0	110	R196 K201 L235 R240	R196-Y233 HydrophobicContact CB-CE2 4.35Å; R196-Y233 HydrophobicContact CG-CD2 4.16Å; R196-Y233 HydrophobicContact CG-CE2 4.35Å; K201-Y233 HydrophobicContact CB-CD1 3.99Å; K201-Y233 HydrophobicContact CB-CG 4.05Å; K201-Y233 HydrophobicContact CD-CD1 4.18Å; K201-Y233 HydrophobicContact CD-CE1 4.05Å; K201-Y233 HydrophobicContact CG-CD1 3.78Å; K201-Y233 HydrophobicContact CG-CD2 4.44Å; K201-Y233 HydrophobicContact CG-CE1 3.91Å; K201-Y233 HydrophobicContact CG-CG 4.05Å; K201-Y233 WeakPolarHBondContact O-CB 3.24Å; Y233-L235 HydrophobicContact CD1-CD2 3.83Å; Y233-L235 HydrophobicContact CD1-CG 4.35Å; Y233-L235 HydrophobicContact CE1-CD2 3.92Å; Y233-R240 HydrophobicContact CE1-CB 4.27Å; Y233-R240 WeakPolarHBondContact OH-CB 3.44Å
234	D	91.4	Very high	92.9	Very high	36 Å²	36	60.2 Å²	60.2	19%	0.193	30%	0.301	C	S	.	.			trans	-87.4	115.2	177	-164.9	-21.8	0	0	0	110.9	K232 E236 C237 R241 H243	K232-D234 PolarHBondContact O-N 2.97Å; D234-E236 WeakPolarHBondContact OD1-CA 3.37Å; D234-E236 WeakPolarHBondContact OD1-CB 3.34Å; D234-E236 PolarHBondContact OD1-N 3Å; D234-C237 HydrophobicContact CB-CB 3.85Å; D234-C237 VanDerWaalsContact CG-CB 3.44Å; D234-C237 PolarHBondContact OD1-N 3.18Å; D234-C237 VanDerWaalsContact OD2-CB 3.24Å; D234-C237 WeakPolarHBondContact OD2-CB 3.44Å; D234-R241 WeakPolarHBondContact CB-O 3.4Å; D234-R241 PolarHBondContact N-O 3.28Å; D234-H243 WeakPolarHBondContact CB-NE2 3.39Å; D234-H243 IonicContact OD2-CD2 3.98Å; D234-H243 PolarHBondContact OD2-CD2 2.92Å; D234-H243 IonicContact OD2-CE1 2.6Å; D234-H243 IonicContact OD2-NE2 3.46Å; D234-H243 PolarHBondContact OD2-NE2 3.23Å
235	L	88.8	Confident	93	Very high	104 Å²	104	61.4 Å²	61.4	55%	0.545	31%	0.309	S	S	.	.	S	Bend	trans	-82	-22	176.4	-67.2	173.9	0	0	0	113	K201 Y233 R240	K201-L235 HydrophobicContact CD-CD2 4.18Å; Y233-L235 HydrophobicContact CD1-CD2 3.83Å; Y233-L235 HydrophobicContact CD1-CG 4.35Å; Y233-L235 HydrophobicContact CE1-CD2 3.92Å; L235-R240 PolarHBondContact O-NE 2.89Å
236	E	88.9	Confident	93	Very high	179 Å²	179	59.6 Å²	59.6	84%	0.836	30%	0.296	S	S	*	.	S	Bend	trans	-94	-28.8	-174.2	-57.8	-175.1	170.8	0	0	112.3	D234	D234-E236 WeakPolarHBondContact OD1-CA 3.37Å; D234-E236 WeakPolarHBondContact OD1-CB 3.34Å; D234-E236 PolarHBondContact OD1-N 3Å
237	C	84.1	Confident	93	Very high	24 Å²	24	61.4 Å²	61.4	16%	0.162	30%	0.301	C	S	.	.	S	Bend	trans	-67.7	143.2	176.7	-170.9	0	0	0	0	112.7	D234 P239 R240	D234-C237 HydrophobicContact CB-CB 3.85Å; D234-C237 VanDerWaalsContact CG-CB 3.44Å; D234-C237 PolarHBondContact OD1-N 3.18Å; D234-C237 VanDerWaalsContact OD2-CB 3.24Å; D234-C237 WeakPolarHBondContact OD2-CB 3.44Å; C237-P239 CarbonylContact O-C 3.45Å; C237-R240 VanDerWaalsContact O-CA 3.22Å; C237-R240 WeakPolarHBondContact O-CA 3.31Å; C237-R240 VanDerWaalsContact O-CG 3.29Å; C237-R240 WeakPolarHBondContact O-CG 3.34Å; C237-R240 PolarHBondContact O-N 3.12Å; C237-R240 VanDerWaalsContact O-N 3.14Å
238	V	78.9	Confident	92.9	Very high	136 Å²	136	63.5 Å²	63.5	82%	0.824	31%	0.313	S	S	*	.	S	Bend	trans	-127.6	119.4	174.7	-176.1	0	0	0	0	109.5
239	P	84	Confident	92.8	Very high	100 Å²	100	66.8 Å²	66.8	65%	0.649	33%	0.334	S	S	*	.	S	Bend	cis	-66.5	145.8	-5.8	30.1	-34.9	0	0	0	111.5	C237 R241	C237-P239 CarbonylContact O-C 3.45Å; P239-R241 PolarHBondContact O-N 3.26Å
240	R	86	Confident	92.6	Very high	155 Å²	155	72.3 Å²	72.3	59%	0.585	36%	0.364	S	S	*	.			trans	-58.1	132.1	178.2	-69.3	178.1	178	145.4	-0.1	109.9	Y233 L235 C237	Y233-R240 HydrophobicContact CE1-CB 4.27Å; Y233-R240 WeakPolarHBondContact OH-CB 3.44Å; L235-R240 PolarHBondContact O-NE 2.89Å; C237-R240 VanDerWaalsContact O-CA 3.22Å; C237-R240 WeakPolarHBondContact O-CA 3.31Å; C237-R240 VanDerWaalsContact O-CG 3.29Å; C237-R240 WeakPolarHBondContact O-CG 3.34Å; C237-R240 PolarHBondContact O-N 3.12Å; C237-R240 VanDerWaalsContact O-N 3.14Å
241	R	87.7	Confident	92.5	Very high	111 Å²	111	74.9 Å²	74.9	42%	0.419	38%	0.379	S	S	.	.			trans	-147.7	165.5	-178.3	63.8	-179.2	-173.6	-126.7	9.5	111.5	D234 P239	D234-R241 WeakPolarHBondContact CB-O 3.4Å; D234-R241 PolarHBondContact N-O 3.28Å; P239-R241 PolarHBondContact O-N 3.26Å
242	S	92.9	Very high	92.3	Very high	10 Å²	10	80.2 Å²	80.2	7%	0.07	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	141.4	165	-61.3	0	0	0	0	109.5	D192 R196 S231 K232 T254	D192-S242 VanDerWaalsContact OD2-CB 3.3Å; D192-S242 WeakPolarHBondContact OD2-CB 3.25Å; D192-S242 PolarHBondContact OD2-OG 2.93Å; R196-S242 VanDerWaalsContact CG-OG 3.27Å; R196-S242 WeakPolarHBondContact CG-OG 3.44Å; R196-S242 PolarHBondContact NE-OG 3.33Å; R196-S242 VanDerWaalsContact NE-OG 3.08Å; S231-S242 PolarHBondContact OG-OG 3.36Å; K232-S242 CarbonylContact O-C 3.53Å; K232-S242 WeakPolarHBondContact O-CA 3.38Å; S242-T254 PolarHBondContact O-OG1 3.39Å
243	H	95.4	Very high	92.1	Very high	55 Å²	55	77.2 Å²	77.2	26%	0.255	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.3	157.6	-67	-54.5	0	0	0	107.8	S231 K232 D234 E252	S231-H243 WeakPolarHBondContact CA-O 3.13Å; K232-H243 PolarHBondContact N-O 3.42Å; K232-H243 PolarHBondContact O-N 3.28Å; D234-H243 WeakPolarHBondContact CB-NE2 3.39Å; D234-H243 IonicContact OD2-CD2 3.98Å; D234-H243 PolarHBondContact OD2-CD2 2.92Å; D234-H243 IonicContact OD2-CE1 2.6Å; D234-H243 IonicContact OD2-NE2 3.46Å; D234-H243 PolarHBondContact OD2-NE2 3.23Å; H243-E252 IonicContact ND1-OE1 3.18Å; H243-E252 PolarHBondContact ND1-OE1 3.41Å
244	I	97.4	Very high	91.5	Very high	1 Å²	1	78.9 Å²	78.9	1%	0.005	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.3	-176.7	-49.1	-178.6	0	0	0	109.5	W131 M189 D192 Y229 E230 E252 V253 T254	W131-I244 HydrophobicContact CH2-CG2 4.14Å; W131-I244 HydrophobicContact CZ2-CG2 4.39Å; M189-I244 HydrophobicContact CE-CG2 4.13Å; M189-I244 HydrophobicContact SD-CB 4.15Å; M189-I244 HydrophobicContact SD-CD1 3.44Å; M189-I244 WeakPolarHBondContact SD-CD1 3.38Å; M189-I244 HydrophobicContact SD-CG1 4.37Å; M189-I244 HydrophobicContact SD-CG2 3.74Å; D192-I244 HydrophobicContact CB-CD1 3.85Å; Y229-I244 HydrophobicContact CD1-CG2 4.32Å; E230-I244 CarbonylContact O-C 3.57Å; E230-I244 WeakPolarHBondContact O-CA 3.35Å; I244-E252 WeakPolarHBondContact O-CA 3.5Å; I244-V253 HydrophobicContact CB-CG2 3.77Å; I244-V253 HydrophobicContact CG2-CG2 3.67Å; I244-V253 WeakPolarHBondContact O-CG2 3.41Å; I244-V253 PolarHBondContact O-N 3.4Å; I244-T254 HydrophobicContact CB-CG2 3.96Å; I244-T254 HydrophobicContact CD1-CG2 3.63Å; I244-T254 HydrophobicContact CG1-CG2 3.73Å; I244-T254 PolarHBondContact N-OG1 3.43Å; I244-T254 VanDerWaalsContact N-OG1 3.07Å
245	V	98.1	Very high	91.5	Very high	52 Å²	52	81.1 Å²	81.1	32%	0.315	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.4	177.9	178.2	0	0	0	0	109.4	Y229 E230 K247	Y229-V245 VanDerWaalsContact CA-O 3.3Å; Y229-V245 WeakPolarHBondContact CA-O 3.16Å; E230-V245 PolarHBondContact N-O 2.87Å; E230-V245 PolarHBondContact O-N 3.18Å; V245-K247 PolarHBondContact O-N 3.3Å
246	N	98	Very high	91.7	Very high	17 Å²	17	79.8 Å²	79.8	9%	0.091	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	111.4	165.3	-174.5	-38.2	0	0	0	108.9	Y229 V248 T249 N250 L251 V253	Y229-N246 HydrophobicContact CD1-CB 3.86Å; Y229-N246 HydrophobicContact CE1-CB 3.62Å; Y229-N246 WeakPolarHBondContact CE1-ND2 3.44Å; Y229-N246 PolarHBondContact OH-ND2 3.27Å; N246-V248 PolarHBondContact O-N 3.46Å; N246-V248 VanDerWaalsContact OD1-CB 3.32Å; N246-V248 WeakPolarHBondContact OD1-CB 3.45Å; N246-V248 PolarHBondContact OD1-N 2.82Å; N246-T249 WeakPolarHBondContact CB-OG1 3.33Å; N246-T249 VanDerWaalsContact CG-OG1 3.32Å; N246-T249 PolarHBondContact O-N 3.02Å; N246-T249 PolarHBondContact OD1-N 3.1Å; N246-N250 WeakPolarHBondContact O-CA 3.05Å; N246-N250 PolarHBondContact O-N 3.1Å; N246-L251 PolarHBondContact N-O 3.43Å; N246-L251 PolarHBondContact O-N 3.08Å; N246-V253 HydrophobicContact CB-CG1 4.05Å
247	K	97.4	Very high	91.8	Very high	66 Å²	66	74.3 Å²	74.3	29%	0.287	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.1	-174.9	-59.6	177.6	66.1	168.1	0	113.4	C225 T227 I228 E230 V245	C225-K247 WeakPolarHBondContact SG-CE 3.42Å; C225-K247 PolarHBondContact SG-NZ 2.82Å; T227-K247 PolarHBondContact OG1-NZ 3.01Å; I228-K247 PolarHBondContact O-N 3.05Å; E230-K247 HydrophobicContact CB-CD 4.09Å; E230-K247 HydrophobicContact CB-CG 4.42Å; V245-K247 PolarHBondContact O-N 3.3Å
248	V	96.1	Very high	92.3	Very high	61 Å²	61	77.3 Å²	77.3	37%	0.37	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-43.9	175.7	-179.2	0	0	0	0	109.8	F114 I228 N246	F114-V248 HydrophobicContact CB-CG1 4.12Å; F114-V248 HydrophobicContact CB-CG2 4.19Å; F114-V248 HydrophobicContact CD1-CB 4.16Å; F114-V248 HydrophobicContact CD1-CG1 3.4Å; F114-V248 HydrophobicContact CD1-CG2 3.76Å; F114-V248 HydrophobicContact CD2-CG2 3.95Å; F114-V248 HydrophobicContact CE1-CB 4.43Å; F114-V248 HydrophobicContact CE1-CG1 3.98Å; F114-V248 HydrophobicContact CE1-CG2 4.01Å; F114-V248 HydrophobicContact CE2-CG2 4.23Å; F114-V248 HydrophobicContact CG-CB 4.46Å; F114-V248 HydrophobicContact CG-CG1 3.91Å; F114-V248 HydrophobicContact CG-CG2 3.67Å; F114-V248 HydrophobicContact CZ-CG2 4.22Å; I228-V248 HydrophobicContact CB-CG2 4Å; I228-V248 HydrophobicContact CG2-CG2 3.99Å; N246-V248 PolarHBondContact O-N 3.46Å; N246-V248 VanDerWaalsContact OD1-CB 3.32Å; N246-V248 WeakPolarHBondContact OD1-CB 3.45Å; N246-V248 PolarHBondContact OD1-N 2.82Å
249	T	96	Very high	93.1	Very high	74 Å²	74	73.6 Å²	73.6	45%	0.454	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-15.1	-177.1	60.7	0	0	0	0	113.6	N246 L251	N246-T249 WeakPolarHBondContact CB-OG1 3.33Å; N246-T249 VanDerWaalsContact CG-OG1 3.32Å; N246-T249 PolarHBondContact O-N 3.02Å; N246-T249 PolarHBondContact OD1-N 3.1Å; T249-L251 PolarHBondContact O-N 3.16Å; T249-L251 PolarHBondContact OG1-N 3.17Å
250	N	95.3	Very high	93.7	Very high	129 Å²	129	71.9 Å²	71.9	69%	0.69	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	30.1	-169.1	-58.5	-61.3	0	0	0	113.7	N246	N246-N250 WeakPolarHBondContact O-CA 3.05Å; N246-N250 PolarHBondContact O-N 3.1Å
251	L	96.1	Very high	94.3	Very high	108 Å²	108	65.9 Å²	65.9	57%	0.565	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	144	177.6	-60.9	176.8	0	0	0	111.1	N246 T249	N246-L251 PolarHBondContact N-O 3.43Å; N246-L251 PolarHBondContact O-N 3.08Å; T249-L251 PolarHBondContact O-N 3.16Å; T249-L251 PolarHBondContact OG1-N 3.17Å
252	E	94.4	Very high	94.8	Very high	112 Å²	112	62.5 Å²	62.5	52%	0.523	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	139.2	166.3	-170.9	174.7	174.8	0	0	109.6	H243 I244	H243-E252 IonicContact ND1-OE1 3.18Å; H243-E252 PolarHBondContact ND1-OE1 3.41Å; I244-E252 WeakPolarHBondContact O-CA 3.5Å
253	V	92.1	Very high	94.9	Very high	39 Å²	39	66.8 Å²	66.8	24%	0.236	36%	0.361	C	S	.	.			trans	-121.7	12.8	-173.6	-62.3	0	0	0	0	113.1	M189 Y229 I244 N246	M189-V253 HydrophobicContact CE-CB 4.49Å; M189-V253 HydrophobicContact CE-CG2 3.56Å; M189-V253 HydrophobicContact SD-CG2 3.68Å; Y229-V253 HydrophobicContact CD1-CG2 4.42Å; Y229-V253 HydrophobicContact CE1-CG2 4.38Å; I244-V253 HydrophobicContact CB-CG2 3.77Å; I244-V253 HydrophobicContact CG2-CG2 3.67Å; I244-V253 WeakPolarHBondContact O-CG2 3.41Å; I244-V253 PolarHBondContact O-N 3.4Å; N246-V253 HydrophobicContact CB-CG1 4.05Å
254	T	83	Confident	94.9	Very high	88 Å²	88	67.9 Å²	67.9	54%	0.54	37%	0.371	S	S	.	.			trans	-137.2	0	-179.4	47.5	0	0	0	0	112.5	S242 I244	S242-T254 PolarHBondContact O-OG1 3.39Å; I244-T254 HydrophobicContact CB-CG2 3.96Å; I244-T254 HydrophobicContact CD1-CG2 3.63Å; I244-T254 HydrophobicContact CG1-CG2 3.73Å; I244-T254 PolarHBondContact N-OG1 3.43Å; I244-T254 VanDerWaalsContact N-OG1 3.07Å

Retrieved 254 of 254 residues in 87.8 ms (Link to these results)

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