A0A096N7E3_PAPAN Loading...

Acetylcholine receptor subunit delta

After binding acetylcholine, the AChR responds by an extensive change in conformation that affects all subunits and leads to opening of an ion-conducting channel across the plasma membrane.

AlphaFold DB , UniProt , Accession A0A096N7E3, Species PAPAN (Papio anubis, Olive baboon), Gene CHRND, Length 517 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	53.8	Low	246 Å²	246	121.9 Å²	121.9	100%	1.212	69%	0.693	S	S	*	*				0	74.6	0	-81	170.4	145.4	0	0	107.9
2	E	50.9	Low	53.9	Low	201 Å²	201	116.3 Å²	116.3	94%	0.939	67%	0.673	S	S	*	*			trans	-152.8	80.4	176.3	-72.9	-157.2	163.2	0	0	108.9
3	G	55.1	Low	53.9	Low	59 Å²	59	114.1 Å²	114.1	61%	0.608	66%	0.663	S	S	*	*			trans	-144.8	-27.5	-167	0	0	0	0	0	118.4
4	P	53.9	Low	53.8	Low	89 Å²	89	114.4 Å²	114.4	58%	0.578	66%	0.66	S	S	*	*	S	Bend	trans	-111.8	-3.8	-175.9	30.6	-18.8	0	0	0	115.9
5	V	55.6	Low	53.5	Low	123 Å²	123	110.9 Å²	110.9	75%	0.745	65%	0.649	S	S	*	*	H	α-helix	trans	-86.1	-31.7	-174.6	-174.6	0	0	0	0	112.5	G9	V5-G9 PolarHBondContact O-N 3.41Å
6	L	54.1	Low	53.1	Low	143 Å²	143	110.4 Å²	110.4	75%	0.749	65%	0.648	S	S	*	*	H	α-helix	trans	-74.2	-31.8	-177.7	-127.6	92.5	0	0	0	113.3	L10	L6-L10 PolarHBondContact O-N 3.03Å
7	T	54.6	Low	52.4	Low	88 Å²	88	110.1 Å²	110.1	54%	0.54	65%	0.652	S	S	.	*	H	α-helix	trans	-77	-32.1	-178.6	38	0	0	0	0	112.9	L11	T7-L11 PolarHBondContact O-N 3.03Å
8	L	54.5	Low	51.9	Low	128 Å²	128	107.7 Å²	107.7	67%	0.67	65%	0.653	S	S	*	*	H	α-helix	trans	-72.5	-34.7	172.9	-97.9	136.9	0	0	0	112.5	A12	L8-A12 WeakPolarHBondContact O-CB 3.29Å; L8-A12 PolarHBondContact O-N 2.98Å; L8-A12 VanDerWaalsContact O-N 3.15Å
9	G	57	Low	51.7	Low	40 Å²	40	109.1 Å²	109.1	41%	0.412	66%	0.655	S	S	.	*	H	α-helix	trans	-64.4	-42.8	173.4	0	0	0	0	0	112.9	V5 A12 T13	V5-G9 PolarHBondContact O-N 3.41Å; G9-A12 PolarHBondContact O-N 3.13Å; G9-T13 WeakPolarHBondContact O-CG2 3.31Å; G9-T13 PolarHBondContact O-N 3.37Å; G9-T13 PolarHBondContact O-OG1 3.25Å; G9-T13 VanDerWaalsContact O-OG1 3.13Å
10	L	55.1	Low	51.6	Low	101 Å²	101	115.7 Å²	115.7	53%	0.529	67%	0.668	S	S	.	*	H	α-helix	trans	-69.1	-36.9	179.6	-106.4	125.9	0	0	0	113.5	L6 T13 L14	L6-L10 PolarHBondContact O-N 3.03Å; L10-T13 WeakPolarHBondContact CA-OG1 3.49Å; L10-T13 PolarHBondContact O-N 3.4Å; L10-T13 PolarHBondContact O-OG1 3.15Å; L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 WeakPolarHBondContact O-CD1 3.42Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.98Å
11	L	54.6	Low	51.6	Low	123 Å²	123	113.7 Å²	113.7	64%	0.644	67%	0.673	S	S	*	*	H	α-helix	trans	-68.9	-35.8	174.8	-86.7	158.1	0	0	0	112.4	T7 A15	T7-L11 PolarHBondContact O-N 3.03Å; L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 3.11Å
12	A	55.6	Low	52.3	Low	54 Å²	54	106.5 Å²	106.5	45%	0.446	64%	0.639	S	S	.	*	H	α-helix	trans	-69.4	-39	174	0	0	0	0	0	112.1	L8 G9 A15 V16	L8-A12 WeakPolarHBondContact O-CB 3.29Å; L8-A12 PolarHBondContact O-N 2.98Å; L8-A12 VanDerWaalsContact O-N 3.15Å; G9-A12 PolarHBondContact O-N 3.13Å; A12-A15 PolarHBondContact O-N 3.48Å; A12-V16 VanDerWaalsContact O-CG2 3.29Å; A12-V16 WeakPolarHBondContact O-CG2 3.48Å; A12-V16 PolarHBondContact O-N 2.93Å
13	T	54.1	Low	53.8	Low	88 Å²	88	101.2 Å²	101.2	54%	0.54	62%	0.617	S	S	.	*	H	α-helix	trans	-69.8	-32.7	175.3	50.8	0	0	0	0	113	G9 L10 C17	G9-T13 WeakPolarHBondContact O-CG2 3.31Å; G9-T13 PolarHBondContact O-N 3.37Å; G9-T13 PolarHBondContact O-OG1 3.25Å; G9-T13 VanDerWaalsContact O-OG1 3.13Å; L10-T13 WeakPolarHBondContact CA-OG1 3.49Å; L10-T13 PolarHBondContact O-N 3.4Å; L10-T13 PolarHBondContact O-OG1 3.15Å; T13-C17 VanDerWaalsContact O-CB 3.31Å; T13-C17 WeakPolarHBondContact O-CB 3.16Å; T13-C17 PolarHBondContact O-N 3.24Å; T13-C17 VanDerWaalsContact O-N 3.11Å
14	L	52.3	Low	55.4	Low	119 Å²	119	102 Å²	102	62%	0.623	61%	0.605	S	S	*	*	H	α-helix	trans	-72.6	-34	173.5	-82.4	158.9	0	0	0	112.3	L10 G18	L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 WeakPolarHBondContact O-CD1 3.42Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.98Å; L14-G18 PolarHBondContact O-N 3.34Å
15	A	48.4	Very low	57.1	Low	61 Å²	61	101.9 Å²	101.9	50%	0.504	60%	0.597	S	S	.	*	H	α-helix	trans	-72	-33.6	175.5	0	0	0	0	0	113	L11 A12	L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 3.11Å; A12-A15 PolarHBondContact O-N 3.48Å
16	V	48.3	Very low	58.7	Low	104 Å²	104	99.8 Å²	99.8	63%	0.63	58%	0.579	S	S	*	*	H	α-helix	trans	-78.7	-29.6	177.3	175.5	0	0	0	0	111.9	A12	A12-V16 VanDerWaalsContact O-CG2 3.29Å; A12-V16 WeakPolarHBondContact O-CG2 3.48Å; A12-V16 PolarHBondContact O-N 2.93Å
17	C	40.7	Very low	60.5	Low	105 Å²	105	97.8 Å²	97.8	71%	0.709	56%	0.561	S	S	*	*	H	α-helix	trans	-79.7	-16.2	178.2	-145.8	0	0	0	0	113.6	T13 I19	T13-C17 VanDerWaalsContact O-CB 3.31Å; T13-C17 WeakPolarHBondContact O-CB 3.16Å; T13-C17 PolarHBondContact O-N 3.24Å; T13-C17 VanDerWaalsContact O-N 3.11Å; C17-I19 PolarHBondContact O-N 2.94Å
18	G	42.6	Very low	62.3	Low	66 Å²	66	93.6 Å²	93.6	68%	0.68	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.6	-179	0	0	0	0	0	116.1	L14	L14-G18 PolarHBondContact O-N 3.34Å
19	I	49.2	Very low	64.1	Low	135 Å²	135	90 Å²	90	69%	0.692	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-8.4	-171.8	-61.2	173.2	0	0	0	112.5	C17 G21	C17-I19 PolarHBondContact O-N 2.94Å; I19-G21 PolarHBondContact O-N 3.16Å
20	W	48.7	Very low	65.8	Low	240 Å²	240	93.1 Å²	93.1	91%	0.909	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	48.7	-171.6	-79.2	35.7	0	0	0	113.5
21	G	52.3	Low	67.5	Low	75 Å²	75	90.4 Å²	90.4	77%	0.773	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160	19.6	-179.6	0	0	0	0	0	115.9	I19 N23	I19-G21 PolarHBondContact O-N 3.16Å; G21-N23 PolarHBondContact O-N 3.39Å
22	L	61.1	Low	69.3	Low	95 Å²	95	84.6 Å²	84.6	50%	0.497	47%	0.47	S	S	.	.			trans	-79.1	122.6	169.4	-143.7	79.7	0	0	0	107.8	E24 R27	L22-E24 PolarHBondContact O-N 3.02Å; L22-E24 VanDerWaalsContact O-N 3.16Å; L22-R27 HydrophobicContact CD2-CB 4.37Å
23	N	82.9	Confident	71.1	Confident	89 Å²	89	83.5 Å²	83.5	48%	0.476	46%	0.455	S	S	.	.			trans	-58.8	121.4	174	-173.6	4.1	0	0	0	108.3	G21 E25 E26 R27	G21-N23 PolarHBondContact O-N 3.39Å; N23-E25 PolarHBondContact O-N 3.14Å; N23-E25 PolarHBondContact OD1-N 3.37Å; N23-E26 HydrophobicContact CB-CB 4.12Å; N23-E26 WeakPolarHBondContact O-CA 3.23Å; N23-E26 WeakPolarHBondContact O-CB 3.14Å; N23-E26 PolarHBondContact O-N 3.23Å; N23-R27 PolarHBondContact O-N 2.78Å; N23-R27 VanDerWaalsContact O-N 3.13Å
24	E	87.4	Confident	72.8	Confident	76 Å²	76	86.1 Å²	86.1	36%	0.355	46%	0.461	S	S	.	.	H	α-helix	trans	-60	-30.4	-178.3	-71.5	-63	165.8	0	0	111.7	L22 R27 L28 I98	L22-E24 PolarHBondContact O-N 3.02Å; L22-E24 VanDerWaalsContact O-N 3.16Å; E24-R27 PolarHBondContact O-N 3.24Å; E24-R27 IonicContact OE1-NE 3.19Å; E24-R27 IonicContact OE1-NH2 2.66Å; E24-R27 IonicContact OE2-CZ 3.77Å; E24-R27 IonicContact OE2-NE 3.94Å; E24-R27 PolarHBondContact OE2-NE 3.26Å; E24-R27 IonicContact OE2-NH2 3.08Å; E24-R27 PolarHBondContact OE2-NH2 2.66Å; E24-L28 WeakPolarHBondContact O-CB 3.41Å; E24-L28 PolarHBondContact O-N 2.74Å; E24-I98 HydrophobicContact CB-CD1 3.89Å
25	E	89.1	Confident	74.6	Confident	86 Å²	86	87.3 Å²	87.3	40%	0.402	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-40.1	171.4	-67.5	-179.8	166.2	0	0	112.1	N23 R27 L28 I29 I98 L101	N23-E25 PolarHBondContact O-N 3.14Å; N23-E25 PolarHBondContact OD1-N 3.37Å; E25-R27 VanDerWaalsContact C-N 3.34Å; E25-L28 PolarHBondContact O-N 3.4Å; E25-I29 WeakPolarHBondContact O-CB 3.27Å; E25-I29 WeakPolarHBondContact O-CG1 3.39Å; E25-I29 PolarHBondContact O-N 2.77Å; E25-I98 HydrophobicContact CB-CD1 4.43Å; E25-I98 HydrophobicContact CG-CD1 3.73Å; E25-L101 HydrophobicContact CB-CD1 4.17Å; E25-L101 HydrophobicContact CG-CD1 4.2Å
26	E	90.5	Very high	76.5	Confident	80 Å²	80	89.3 Å²	89.3	37%	0.374	46%	0.461	S	S	.	.	H	α-helix	trans	-66.9	-39.9	178	-172.1	-178.4	177.9	0	0	110.8	N23 I29 R30	N23-E26 HydrophobicContact CB-CB 4.12Å; N23-E26 WeakPolarHBondContact O-CA 3.23Å; N23-E26 WeakPolarHBondContact O-CB 3.14Å; N23-E26 PolarHBondContact O-N 3.23Å; E26-I29 PolarHBondContact O-N 3.34Å; E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.94Å; E26-R30 IonicContact OE1-CZ 3.35Å; E26-R30 IonicContact OE1-NE 2.75Å; E26-R30 IonicContact OE1-NH2 2.8Å; E26-R30 PolarHBondContact OE1-NH2 3.22Å
27	R	91.5	Very high	78.5	Confident	101 Å²	101	86.9 Å²	86.9	38%	0.381	46%	0.457	S	S	.	.	H	α-helix	trans	-60.8	-45.6	173.6	-171.5	171.4	67.8	123.3	1.1	110.9	L22 N23 E24 E25 R30 H31 E94 F95	L22-R27 HydrophobicContact CD2-CB 4.37Å; N23-R27 PolarHBondContact O-N 2.78Å; N23-R27 VanDerWaalsContact O-N 3.13Å; E24-R27 PolarHBondContact O-N 3.24Å; E24-R27 IonicContact OE1-NE 3.19Å; E24-R27 IonicContact OE1-NH2 2.66Å; E24-R27 IonicContact OE2-CZ 3.77Å; E24-R27 IonicContact OE2-NE 3.94Å; E24-R27 PolarHBondContact OE2-NE 3.26Å; E24-R27 IonicContact OE2-NH2 3.08Å; E24-R27 PolarHBondContact OE2-NH2 2.66Å; E25-R27 VanDerWaalsContact C-N 3.34Å; R27-R30 PolarHBondContact O-N 3.12Å; R27-H31 WeakPolarHBondContact O-CB 3.39Å; R27-H31 PolarHBondContact O-N 3.25Å; R27-E94 PolarHBondContact NH2-O 2.83Å; R27-F95 HydrophobicContact CG-CE1 4.34Å
28	L	92.3	Very high	81	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-63	-44.2	177.2	177.9	60.3	0	0	0	112.1	E24 E25 R30 H31 L32 W90 F95 I98 L101	E24-L28 WeakPolarHBondContact O-CB 3.41Å; E24-L28 PolarHBondContact O-N 2.74Å; E25-L28 PolarHBondContact O-N 3.4Å; L28-R30 PolarHBondContact O-N 3.47Å; L28-H31 WeakPolarHBondContact O-CB 3.39Å; L28-H31 PolarHBondContact O-N 3.11Å; L28-L32 HydrophobicContact CD1-CD1 3.98Å; L28-L32 HydrophobicContact CD1-CG 3.99Å; L28-L32 HydrophobicContact CG-CD1 4.02Å; L28-L32 HydrophobicContact CG-CG 4.41Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 3.22Å; L28-W90 HydrophobicContact CD1-CB 3.75Å; L28-W90 HydrophobicContact CD1-CD2 3.95Å; L28-W90 HydrophobicContact CD1-CE3 4.48Å; L28-W90 HydrophobicContact CD1-CG 3.59Å; L28-W90 HydrophobicContact CD2-CD2 3.87Å; L28-W90 HydrophobicContact CD2-CE3 4.45Å; L28-W90 HydrophobicContact CD2-CG 4.14Å; L28-W90 HydrophobicContact CD2-CZ2 4.03Å; L28-W90 HydrophobicContact CG-CD2 4.46Å; L28-F95 HydrophobicContact CB-CB 4.47Å; L28-F95 HydrophobicContact CB-CD1 3.88Å; L28-F95 HydrophobicContact CB-CE1 4.39Å; L28-F95 HydrophobicContact CB-CG 4.23Å; L28-F95 HydrophobicContact CD1-CB 4.48Å; L28-F95 HydrophobicContact CD1-CD1 4.04Å; L28-F95 HydrophobicContact CD1-CD2 3.87Å; L28-F95 HydrophobicContact CD1-CE1 4.21Å; L28-F95 HydrophobicContact CD1-CE2 4.06Å; L28-F95 HydrophobicContact CD1-CG 3.87Å; L28-F95 HydrophobicContact CD1-CZ 4.22Å; L28-I98 HydrophobicContact CD2-CG2 4.24Å; L28-L101 HydrophobicContact CD2-CD1 4.39Å; L28-L101 HydrophobicContact CD2-CD2 4.04Å; L28-L101 HydrophobicContact CG-CD2 4.29Å
29	I	92.7	Very high	83.4	Confident	51 Å²	51	83.5 Å²	83.5	26%	0.262	41%	0.414	S	S	.	.	H	α-helix	trans	-61.2	-45.4	177.6	-70.4	168	0	0	0	110.6	E25 E26 H31 L32 F33 L101 L103	E25-I29 WeakPolarHBondContact O-CB 3.27Å; E25-I29 WeakPolarHBondContact O-CG1 3.39Å; E25-I29 PolarHBondContact O-N 2.77Å; E26-I29 PolarHBondContact O-N 3.34Å; I29-H31 VanDerWaalsContact C-N 3.32Å; I29-H31 PolarHBondContact O-N 3.14Å; I29-L32 PolarHBondContact O-N 2.93Å; I29-F33 HydrophobicContact CG2-CD2 3.85Å; I29-F33 HydrophobicContact CG2-CE2 4.36Å; I29-F33 WeakPolarHBondContact O-CB 3.35Å; I29-F33 WeakPolarHBondContact O-CD2 3.18Å; I29-F33 PolarHBondContact O-N 3.31Å; I29-L101 HydrophobicContact CD1-CD1 4.32Å; I29-L101 HydrophobicContact CG1-CD1 4.23Å; I29-L101 HydrophobicContact CG1-CD2 3.99Å; I29-L103 HydrophobicContact CD1-CD2 3.99Å; I29-L103 HydrophobicContact CG1-CD2 3.93Å
30	R	91.8	Very high	85.4	Confident	106 Å²	106	81.5 Å²	81.5	40%	0.4	40%	0.4	S	S	.	.	H	α-helix	trans	-61.7	-42.1	176.3	-70.3	-178.8	-167.7	-177.9	3.3	111.5	E26 R27 L28 Q34 E35	E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.94Å; E26-R30 IonicContact OE1-CZ 3.35Å; E26-R30 IonicContact OE1-NE 2.75Å; E26-R30 IonicContact OE1-NH2 2.8Å; E26-R30 PolarHBondContact OE1-NH2 3.22Å; R27-R30 PolarHBondContact O-N 3.12Å; L28-R30 PolarHBondContact O-N 3.47Å; R30-Q34 WeakPolarHBondContact O-CA 3.17Å; R30-Q34 VanDerWaalsContact O-CB 3.25Å; R30-Q34 WeakPolarHBondContact O-CB 3.41Å; R30-Q34 PolarHBondContact O-N 2.67Å; R30-E35 PolarHBondContact O-N 3.25Å
31	H	91.8	Very high	87.4	Confident	45 Å²	45	76.7 Å²	76.7	21%	0.208	39%	0.388	C	S	.	.	I	π-helix	trans	-60.3	-48.1	176.1	-179.1	69.7	0	0	0	112.3	R27 L28 I29 E35 K36 F95	R27-H31 WeakPolarHBondContact O-CB 3.39Å; R27-H31 PolarHBondContact O-N 3.25Å; L28-H31 WeakPolarHBondContact O-CB 3.39Å; L28-H31 PolarHBondContact O-N 3.11Å; I29-H31 VanDerWaalsContact C-N 3.32Å; I29-H31 PolarHBondContact O-N 3.14Å; H31-E35 IonicContact CE1-OE2 2.74Å; H31-E35 IonicContact CG-OE2 2.85Å; H31-E35 IonicContact ND1-OE2 3.64Å; H31-E35 PolarHBondContact ND1-OE2 3.38Å; H31-E35 WeakPolarHBondContact O-CB 3.39Å; H31-E35 PolarHBondContact O-N 2.86Å; H31-K36 WeakPolarHBondContact NE2-CE 3.44Å; H31-K36 PolarHBondContact O-N 3.35Å; H31-F95 HydrophobicContact CB-CE1 4.21Å; H31-F95 HydrophobicContact CB-CZ 4.13Å; H31-F95 AromaticContact CD2-CZ 3.71Å; H31-F95 AromaticContact CG-CZ 3.84Å
32	L	92.4	Very high	89.2	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	38%	0.376	C	S	.	.	I	π-helix	trans	-69	-41.5	-178	-68.5	176.6	0	0	0	113.2	L28 I29 K36 W90 L101	L28-L32 HydrophobicContact CD1-CD1 3.98Å; L28-L32 HydrophobicContact CD1-CG 3.99Å; L28-L32 HydrophobicContact CG-CD1 4.02Å; L28-L32 HydrophobicContact CG-CG 4.41Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 3.22Å; I29-L32 PolarHBondContact O-N 2.93Å; L32-K36 HydrophobicContact CD2-CD 4.24Å; L32-K36 WeakPolarHBondContact O-CB 3.34Å; L32-W90 HydrophobicContact CD1-CE3 3.88Å; L32-W90 HydrophobicContact CD1-CZ3 4.2Å; L32-L101 HydrophobicContact CD1-CD2 4.07Å
33	F	92.9	Very high	90.7	Very high	31 Å²	31	75.1 Å²	75.1	14%	0.136	36%	0.359	C	S	.	.	I	π-helix	trans	-94.9	-38.8	-172.7	-71.5	-81.4	0	0	0	113.8	I29 Y38 L88 L103 M107 V108	I29-F33 HydrophobicContact CG2-CD2 3.85Å; I29-F33 HydrophobicContact CG2-CE2 4.36Å; I29-F33 WeakPolarHBondContact O-CB 3.35Å; I29-F33 WeakPolarHBondContact O-CD2 3.18Å; I29-F33 PolarHBondContact O-N 3.31Å; F33-Y38 AromaticContact CD1-CD1 3.8Å; F33-Y38 HydrophobicContact CD1-CD1 3.8Å; F33-Y38 AromaticContact CD1-CG 3.98Å; F33-Y38 HydrophobicContact CD1-CG 3.98Å; F33-Y38 AromaticContact CE1-CD1 3.53Å; F33-Y38 HydrophobicContact CE1-CD1 3.53Å; F33-Y38 HydrophobicContact CE1-CE1 4.06Å; F33-Y38 AromaticContact CE1-CG 3.94Å; F33-Y38 HydrophobicContact CE1-CG 3.94Å; F33-Y38 PolarHBondContact O-N 3.49Å; F33-L88 HydrophobicContact CZ-CD2 4.32Å; F33-L103 HydrophobicContact CE2-CD1 3.75Å; F33-L103 HydrophobicContact CE2-CD2 3.99Å; F33-L103 HydrophobicContact CZ-CD1 3.76Å; F33-M107 HydrophobicContact CE1-CB 4.21Å; F33-M107 WeakPolarHBondContact CE1-O 2.97Å; F33-M107 HydrophobicContact CZ-CB 4.26Å; F33-V108 HydrophobicContact CZ-CG1 4.1Å
34	Q	90.6	Very high	91.1	Very high	144 Å²	144	71.1 Å²	71.1	67%	0.673	34%	0.338	S	S	*	.	I	π-helix	trans	-94.2	-51.1	-175.7	-57.5	178.3	-11.4	0	0	111.6	R30 G37	R30-Q34 WeakPolarHBondContact O-CA 3.17Å; R30-Q34 VanDerWaalsContact O-CB 3.25Å; R30-Q34 WeakPolarHBondContact O-CB 3.41Å; R30-Q34 PolarHBondContact O-N 2.67Å; Q34-G37 PolarHBondContact O-N 3.16Å
35	E	90.2	Very high	91.3	Very high	143 Å²	143	69.2 Å²	69.2	67%	0.668	33%	0.331	S	S	*	.	I	π-helix	trans	-74.7	-43.5	-174.8	-59.9	179.8	-174.8	0	0	112.2	R30 H31 G37	R30-E35 PolarHBondContact O-N 3.25Å; H31-E35 IonicContact CE1-OE2 2.74Å; H31-E35 IonicContact CG-OE2 2.85Å; H31-E35 IonicContact ND1-OE2 3.64Å; H31-E35 PolarHBondContact ND1-OE2 3.38Å; H31-E35 WeakPolarHBondContact O-CB 3.39Å; H31-E35 PolarHBondContact O-N 2.86Å; E35-G37 VanDerWaalsContact C-N 3.3Å
36	K	88.3	Confident	91.3	Very high	103 Å²	103	68.5 Å²	68.5	45%	0.448	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.7	173.4	-70.2	-173.3	179.2	-179.7	0	113.8	H31 L32 K89	H31-K36 WeakPolarHBondContact NE2-CE 3.44Å; H31-K36 PolarHBondContact O-N 3.35Å; L32-K36 HydrophobicContact CD2-CD 4.24Å; L32-K36 WeakPolarHBondContact O-CB 3.34Å; K36-K89 PolarHBondContact NZ-O 2.78Å
37	G	88.8	Confident	91.2	Very high	53 Å²	53	70.6 Å²	70.6	55%	0.546	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	54.1	178.2	0	0	0	0	0	113.8	Q34 E35 N39	Q34-G37 PolarHBondContact O-N 3.16Å; E35-G37 VanDerWaalsContact C-N 3.3Å; G37-N39 PolarHBondContact O-N 2.87Å
38	Y	94.3	Very high	90.9	Very high	29 Å²	29	75.2 Å²	75.2	11%	0.114	37%	0.373	C	S	.	.			trans	-65.8	129.4	-179	-173.8	-90.8	0	0	0	111.9	F33 K40 D85 R87 L88 W109	F33-Y38 AromaticContact CD1-CD1 3.8Å; F33-Y38 HydrophobicContact CD1-CD1 3.8Å; F33-Y38 AromaticContact CD1-CG 3.98Å; F33-Y38 HydrophobicContact CD1-CG 3.98Å; F33-Y38 AromaticContact CE1-CD1 3.53Å; F33-Y38 HydrophobicContact CE1-CD1 3.53Å; F33-Y38 HydrophobicContact CE1-CE1 4.06Å; F33-Y38 AromaticContact CE1-CG 3.94Å; F33-Y38 HydrophobicContact CE1-CG 3.94Å; F33-Y38 PolarHBondContact O-N 3.49Å; Y38-K40 HydrophobicContact CE1-CB 4.03Å; Y38-D85 VanDerWaalsContact CE2-OD2 3.29Å; Y38-D85 WeakPolarHBondContact CE2-OD2 3.45Å; Y38-D85 PolarHBondContact OH-OD2 3.08Å; Y38-R87 HydrophobicContact CD2-CB 4.02Å; Y38-R87 HydrophobicContact CE2-CB 4.12Å; Y38-R87 PolarHBondContact OH-NH2 2.73Å; Y38-L88 HydrophobicContact CD2-CD2 3.75Å; Y38-L88 HydrophobicContact CD2-CG 4.26Å; Y38-L88 HydrophobicContact CE2-CD1 4.16Å; Y38-L88 HydrophobicContact CE2-CD2 3.67Å; Y38-L88 HydrophobicContact CE2-CG 3.73Å; Y38-L88 HydrophobicContact CG-CD2 4.46Å; Y38-W109 WeakPolarHBondContact OH-CB 3.49Å; Y38-W109 PolarHBondContact OH-N 2.93Å
39	N	92.1	Very high	90.7	Very high	71 Å²	71	84.3 Å²	84.3	38%	0.38	42%	0.415	S	S	.	.			trans	-117.6	114.7	173.9	-172.8	-9	0	0	0	110.7	G37 E41 L42 R87	G37-N39 PolarHBondContact O-N 2.87Å; N39-E41 VanDerWaalsContact C-N 3.31Å; N39-E41 PolarHBondContact O-N 2.8Å; N39-E41 WeakPolarHBondContact OD1-CB 3.31Å; N39-E41 PolarHBondContact OD1-N 3.33Å; N39-L42 HydrophobicContact CB-CD1 4.1Å; N39-L42 HydrophobicContact CB-CG 4.31Å; N39-L42 PolarHBondContact O-N 2.73Å; N39-R87 PolarHBondContact O-NH1 3.37Å
40	K	91.5	Very high	90.6	Very high	93 Å²	93	85.7 Å²	85.7	40%	0.404	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.3	-178.8	69	172.8	-177.8	173	0	114.7	Y38 L42 D106 W109	Y38-K40 HydrophobicContact CE1-CB 4.03Å; K40-L42 PolarHBondContact O-N 3.03Å; K40-D106 WeakPolarHBondContact CD-O 3.45Å; K40-D106 PolarHBondContact NZ-O 3.01Å; K40-W109 WeakPolarHBondContact O-CB 3.42Å; K40-W109 VanDerWaalsContact O-CD1 3.23Å
41	E	90.5	Very high	90.6	Very high	139 Å²	139	83.3 Å²	83.3	65%	0.65	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.1	179	-59	-66.4	158.3	0	0	111.6	N39	N39-E41 VanDerWaalsContact C-N 3.31Å; N39-E41 PolarHBondContact O-N 2.8Å; N39-E41 WeakPolarHBondContact OD1-CB 3.31Å; N39-E41 PolarHBondContact OD1-N 3.33Å
42	L	91	Very high	90.7	Very high	99 Å²	99	81.5 Å²	81.5	52%	0.518	41%	0.412	S	S	.	.	S	Bend	trans	-102	131.6	-178.4	-62.1	178.1	0	0	0	111.1	N39 K40 R87	N39-L42 HydrophobicContact CB-CD1 4.1Å; N39-L42 HydrophobicContact CB-CG 4.31Å; N39-L42 PolarHBondContact O-N 2.73Å; K40-L42 PolarHBondContact O-N 3.03Å; L42-R87 PolarHBondContact O-NH1 3.5Å; L42-R87 PolarHBondContact O-NH2 3.39Å
43	R	91.7	Very high	90.7	Very high	39 Å²	39	85.5 Å²	85.5	15%	0.147	43%	0.434	C	S	.	.			trans	-55.4	139.9	170.1	47.4	-178.2	-77.7	100	-12.2	111.9	V45 E50 W109 E178	R43-V45 VanDerWaalsContact C-N 3.26Å; R43-V45 HydrophobicContact CG-CG2 4.02Å; R43-V45 PolarHBondContact O-N 2.91Å; R43-E50 PolarHBondContact NH2-O 3.07Å; R43-W109 HydrophobicContact CB-CZ2 4.38Å; R43-E178 VanDerWaalsContact CZ-O 3.25Å; R43-E178 VanDerWaalsContact NH1-C 3.31Å; R43-E178 PolarHBondContact NH1-O 2.91Å; R43-E178 PolarHBondContact NH2-O 2.74Å
44	P	92.8	Very high	90.8	Very high	5 Å²	5	84 Å²	84	3%	0.032	43%	0.427	C	S	.	.	S	Bend	trans	-81.7	59.5	-173.6	34.8	-40.3	0	0	0	113.8	V52 D85 W109	P44-V52 HydrophobicContact CG-CG1 4.2Å; P44-V52 HydrophobicContact CG-CG2 3.88Å; P44-D85 HydrophobicContact CB-CB 3.81Å; P44-D85 VanDerWaalsContact CB-OD1 3.24Å; P44-D85 WeakPolarHBondContact CB-OD1 3.36Å; P44-D85 WeakPolarHBondContact CB-OD2 3.34Å; P44-D85 HydrophobicContact CG-CB 4.41Å; P44-W109 VanDerWaalsContact CD-CD2 3.44Å; P44-W109 VanDerWaalsContact CD-CE3 3.5Å; P44-W109 HydrophobicContact CG-CD2 4.21Å; P44-W109 HydrophobicContact CG-CE3 3.76Å; P44-W109 HydrophobicContact CG-CH2 4.48Å; P44-W109 HydrophobicContact CG-CZ3 3.91Å
45	V	91.4	Very high	91.1	Very high	35 Å²	35	78.3 Å²	78.3	21%	0.212	41%	0.405	C	S	.	.			trans	-116.2	149.2	177.8	-64.6	0	0	0	0	111.7	R43 H47 E50 V52	R43-V45 VanDerWaalsContact C-N 3.26Å; R43-V45 HydrophobicContact CG-CG2 4.02Å; R43-V45 PolarHBondContact O-N 2.91Å; V45-H47 WeakPolarHBondContact CB-O 3.33Å; V45-H47 VanDerWaalsContact CG2-O 3.29Å; V45-H47 WeakPolarHBondContact CG2-O 3.3Å; V45-E50 HydrophobicContact CB-CB 4.27Å; V45-E50 HydrophobicContact CG1-CB 4.18Å; V45-V52 HydrophobicContact CG1-CG2 3.53Å
46	A	87.8	Confident	91.3	Very high	71 Å²	71	71.6 Å²	71.6	59%	0.587	37%	0.373	S	S	*	.	S	Bend	trans	-79.5	-40.8	174.3	0	0	0	0	0	110.3	E50	A46-E50 PolarHBondContact N-OE2 3.09Å; A46-E50 VanDerWaalsContact N-OE2 3.08Å
47	H	89.7	Confident	91.7	Very high	125 Å²	125	66.7 Å²	66.7	58%	0.579	35%	0.352	S	S	*	.	S	Bend	trans	-120	148.7	177.3	-61.3	-70.1	0	0	0	111.3	V45 E49 E50	V45-H47 WeakPolarHBondContact CB-O 3.33Å; V45-H47 VanDerWaalsContact CG2-O 3.29Å; V45-H47 WeakPolarHBondContact CG2-O 3.3Å; H47-E49 PolarHBondContact O-N 2.86Å; H47-E50 HydrophobicContact CB-CG 4.2Å; H47-E50 IonicContact CD2-OE1 2.96Å; H47-E50 PolarHBondContact N-OE2 2.8Å; H47-E50 PolarHBondContact O-N 2.74Å
48	K	85.2	Confident	92	Very high	198 Å²	198	64.2 Å²	64.2	86%	0.861	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.7	-179.2	-171.8	178.5	177.7	-176.7	0	113.2
49	E	87	Confident	92.1	Very high	190 Å²	190	64.4 Å²	64.4	89%	0.888	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-18.5	-177.1	-63.8	176	-179.1	0	0	113.5	H47	H47-E49 PolarHBondContact O-N 2.86Å
50	E	90.9	Very high	92.2	Very high	80 Å²	80	61.1 Å²	61.1	37%	0.374	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-73.8	147.3	176.6	-65.7	170.5	170.5	0	0	109.9	R43 V45 A46 H47	R43-E50 PolarHBondContact NH2-O 3.07Å; V45-E50 HydrophobicContact CB-CB 4.27Å; V45-E50 HydrophobicContact CG1-CB 4.18Å; A46-E50 PolarHBondContact N-OE2 3.09Å; A46-E50 VanDerWaalsContact N-OE2 3.08Å; H47-E50 HydrophobicContact CB-CG 4.2Å; H47-E50 IonicContact CD2-OE1 2.96Å; H47-E50 PolarHBondContact N-OE2 2.8Å; H47-E50 PolarHBondContact O-N 2.74Å
51	S	90.9	Very high	92.3	Very high	56 Å²	56	58.2 Å²	58.2	39%	0.392	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-103.5	150.1	170.5	59.6	0	0	0	0	110.9	K177 E178	S51-K177 WeakPolarHBondContact CB-O 3.45Å; S51-E178 CarbonylContact C-O 3.57Å; S51-E178 VanDerWaalsContact CA-O 3.27Å; S51-E178 WeakPolarHBondContact CA-O 3.47Å
52	V	93.9	Very high	92.4	Very high	8 Å²	8	53.7 Å²	53.7	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.1	172.8	-176.7	0	0	0	0	108.2	P44 V45 V54 W83 W109 E178 I179 T180	P44-V52 HydrophobicContact CG-CG1 4.2Å; P44-V52 HydrophobicContact CG-CG2 3.88Å; V45-V52 HydrophobicContact CG1-CG2 3.53Å; V52-V54 HydrophobicContact CG1-CG2 4.21Å; V52-W83 HydrophobicContact CG1-CB 4.24Å; V52-W109 HydrophobicContact CB-CH2 4.42Å; V52-W109 HydrophobicContact CG1-CH2 4.14Å; V52-W109 HydrophobicContact CG1-CZ3 4.17Å; V52-E178 PolarHBondContact N-O 3.02Å; V52-I179 HydrophobicContact CB-CG2 4.33Å; V52-I179 CarbonylContact O-C 3.57Å; V52-I179 VanDerWaalsContact O-CA 3.26Å; V52-I179 WeakPolarHBondContact O-CA 3.44Å; V52-T180 PolarHBondContact O-N 2.93Å
53	D	93.8	Very high	92.5	Very high	84 Å²	84	49.3 Å²	49.3	45%	0.449	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.9	172.8	-167.9	22.5	0	0	0	110.2	T180 S182	D53-T180 WeakPolarHBondContact CA-OG1 2.97Å; D53-T180 PolarHBondContact OD1-OG1 3.16Å; D53-S182 WeakPolarHBondContact OD1-CB 3.13Å; D53-S182 PolarHBondContact OD1-OG 3.38Å; D53-S182 PolarHBondContact OD2-OG 3.35Å
54	V	95.3	Very high	92.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	105.3	-179	-177.4	0	0	0	0	107.7	V52 L56 G82 W83 P111 T180 L181 S182	V52-V54 HydrophobicContact CG1-CG2 4.21Å; V54-L56 HydrophobicContact CG1-CD2 4.14Å; V54-L56 HydrophobicContact CG1-CG 4.48Å; V54-G82 CarbonylContact C-O 3.6Å; V54-G82 WeakPolarHBondContact CA-O 3.43Å; V54-W83 HydrophobicContact CG2-CB 4.31Å; V54-P111 HydrophobicContact CG1-CB 4.29Å; V54-P111 HydrophobicContact CG1-CG 3.9Å; V54-P111 HydrophobicContact CG2-CB 3.88Å; V54-P111 HydrophobicContact CG2-CG 4.18Å; V54-T180 PolarHBondContact N-O 2.86Å; V54-L181 HydrophobicContact CB-CD2 4.15Å; V54-L181 HydrophobicContact CG1-CD2 4.46Å; V54-S182 PolarHBondContact O-N 3.43Å
55	A	95.6	Very high	92.5	Very high	24 Å²	24	53 Å²	53	20%	0.198	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.9	175	0	0	0	0	0	110.1	H81 G82 S182	A55-H81 WeakPolarHBondContact O-CA 3.14Å; A55-G82 PolarHBondContact N-O 3.13Å; A55-G82 PolarHBondContact O-N 3.18Å; A55-S182 CarbonylContact C-O 3.6Å; A55-S182 WeakPolarHBondContact CA-O 3.23Å
56	L	95.8	Very high	92.6	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.1	178	-62.2	176.2	0	0	0	110.9	V54 I79 E80 H81 I113 L181 S182 L183 K184 V236	V54-L56 HydrophobicContact CG1-CD2 4.14Å; V54-L56 HydrophobicContact CG1-CG 4.48Å; L56-I79 HydrophobicContact CD2-CG2 4.49Å; L56-E80 WeakPolarHBondContact CA-O 3.49Å; L56-H81 HydrophobicContact CD2-CB 4.43Å; L56-H81 WeakPolarHBondContact CD2-CD2 3.42Å; L56-I113 HydrophobicContact CD1-CG1 4.49Å; L56-I113 HydrophobicContact CD1-CG2 4.06Å; L56-I113 HydrophobicContact CD2-CG1 4.3Å; L56-L181 HydrophobicContact CD1-CD2 4.2Å; L56-S182 PolarHBondContact N-O 2.8Å; L56-L183 WeakPolarHBondContact O-CA 3.47Å; L56-K184 PolarHBondContact O-N 2.87Å; L56-V236 HydrophobicContact CD1-CB 4.2Å; L56-V236 HydrophobicContact CD1-CG2 4.01Å
57	A	95.8	Very high	92.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	156.6	161.6	0	0	0	0	0	110.1	E80 K184 I199	A57-E80 HydrophobicContact CB-CB 4.03Å; A57-E80 PolarHBondContact N-O 2.86Å; A57-E80 PolarHBondContact O-N 2.91Å; A57-K184 HydrophobicContact CB-CB 3.74Å; A57-K184 HydrophobicContact CB-CD 3.93Å; A57-I199 HydrophobicContact CB-CD1 4.26Å
58	L	95.6	Very high	92.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.5	-179.6	-166.2	73.1	0	0	0	109.4	V77 I79 L167 F169 I198 I199 F238	L58-V77 HydrophobicContact CD1-CB 3.78Å; L58-V77 HydrophobicContact CD1-CG1 4.28Å; L58-V77 HydrophobicContact CD1-CG2 3.82Å; L58-V77 HydrophobicContact CD2-CG1 4.3Å; L58-V77 HydrophobicContact CG-CB 4.21Å; L58-V77 HydrophobicContact CG-CG1 4.31Å; L58-I79 HydrophobicContact CD1-CB 4.47Å; L58-I79 HydrophobicContact CD1-CG1 3.73Å; L58-L167 HydrophobicContact CD2-CD1 4.43Å; L58-F169 HydrophobicContact CD1-CE2 4.19Å; L58-F169 HydrophobicContact CD1-CZ 4.19Å; L58-F169 HydrophobicContact CD2-CE2 4.4Å; L58-I198 HydrophobicContact CB-CG2 4.45Å; L58-I198 HydrophobicContact CD2-CD1 4.44Å; L58-I198 HydrophobicContact CD2-CG1 4.33Å; L58-I198 HydrophobicContact CD2-CG2 4.33Å; L58-I198 HydrophobicContact CG-CG2 4.44Å; L58-I198 WeakPolarHBondContact O-CG2 3.46Å; L58-I199 PolarHBondContact O-N 2.95Å; L58-F238 HydrophobicContact CB-CD1 3.67Å; L58-F238 HydrophobicContact CB-CD2 4.14Å; L58-F238 HydrophobicContact CB-CE1 3.51Å; L58-F238 HydrophobicContact CB-CE2 3.99Å; L58-F238 HydrophobicContact CB-CG 4Å; L58-F238 HydrophobicContact CB-CZ 3.68Å; L58-F238 HydrophobicContact CD2-CB 3.89Å; L58-F238 HydrophobicContact CD2-CD1 4.15Å; L58-F238 HydrophobicContact CD2-CD2 3.98Å; L58-F238 HydrophobicContact CD2-CG 3.74Å; L58-F238 HydrophobicContact CG-CG 4.5Å
59	T	95.1	Very high	92.8	Very high	32 Å²	32	42.8 Å²	42.8	20%	0.196	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.8	171.9	-56	0	0	0	0	108.9	V77 W78 I199	T59-V77 CarbonylContact O-C 3.57Å; T59-V77 VanDerWaalsContact O-CA 3.29Å; T59-V77 WeakPolarHBondContact O-CA 3.16Å; T59-W78 PolarHBondContact N-O 3.1Å; T59-W78 PolarHBondContact O-N 3.25Å; T59-I199 CarbonylContact C-O 3.5Å; T59-I199 VanDerWaalsContact CA-O 3.27Å; T59-I199 WeakPolarHBondContact CA-O 3.35Å; T59-I199 HydrophobicContact CG2-CB 4.32Å; T59-I199 HydrophobicContact CG2-CG2 4.24Å
60	L	95.4	Very high	92.9	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	114.5	177.5	178.3	68.7	0	0	0	109.1	T75 V77 I198 I199 I200 F205 I213 L240	L60-T75 HydrophobicContact CD1-CG2 4.07Å; L60-V77 HydrophobicContact CD1-CG1 3.69Å; L60-I198 HydrophobicContact CB-CG2 3.65Å; L60-I199 PolarHBondContact N-O 2.91Å; L60-I200 HydrophobicContact CB-CG1 4.23Å; L60-I200 HydrophobicContact CD2-CD1 4.08Å; L60-F205 HydrophobicContact CD2-CE2 4.09Å; L60-F205 HydrophobicContact CG-CE2 4.26Å; L60-I213 HydrophobicContact CD2-CD1 3.58Å; L60-L240 HydrophobicContact CD2-CD1 4.41Å; L60-L240 HydrophobicContact CD2-CD2 4.2Å
61	S	92.8	Very high	92.9	Very high	31 Å²	31	37.5 Å²	37.5	22%	0.217	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-54.8	173.7	171.6	0	0	0	0	110.2	N76 F205	S61-N76 WeakPolarHBondContact CB-O 3.46Å; S61-N76 PolarHBondContact N-O 2.85Å; S61-F205 WeakPolarHBondContact O-CD2 3.1Å
62	N	92.4	Very high	93	Very high	44 Å²	44	35 Å²	35	24%	0.235	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	142	179.9	-70.6	-34	0	0	0	111.7	N76 T206	N62-N76 HydrophobicContact CB-CB 4.32Å; N62-N76 PolarHBondContact N-O 2.75Å; N62-N76 PolarHBondContact O-N 3.19Å; N62-T206 PolarHBondContact OD1-N 3.47Å; N62-T206 PolarHBondContact OD1-OG1 3.12Å
63	L	93.9	Very high	93	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	101.5	164.5	-168.6	159.1	0	0	0	108.4	L73 N208 W211 I213 I242	L63-L73 HydrophobicContact CD1-CD1 4.42Å; L63-L73 HydrophobicContact CD2-CD1 4.32Å; L63-L73 HydrophobicContact CG-CD1 4.22Å; L63-N208 HydrophobicContact CD2-CB 4.39Å; L63-N208 VanDerWaalsContact CD2-ND2 3.31Å; L63-N208 WeakPolarHBondContact CD2-ND2 3.4Å; L63-N208 PolarHBondContact O-ND2 2.84Å; L63-W211 HydrophobicContact CD2-CB 4.36Å; L63-I213 HydrophobicContact CD1-CG1 4.36Å; L63-I242 HydrophobicContact CD1-CD1 4.3Å; L63-I242 HydrophobicContact CD1-CG2 3.88Å
64	I	92.2	Very high	93	Very high	85 Å²	85	31 Å²	31	44%	0.436	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-58.1	-171	-64.6	166.3	0	0	0	110.4	T74 N76 I146 N208	I64-T74 HydrophobicContact CB-CG2 4.05Å; I64-T74 WeakPolarHBondContact CB-O 3.18Å; I64-T74 HydrophobicContact CD1-CG2 3.9Å; I64-T74 HydrophobicContact CG2-CG2 4.26Å; I64-T74 PolarHBondContact N-O 3.47Å; I64-N76 HydrophobicContact CD1-CB 4.13Å; I64-I146 HydrophobicContact CD1-CG2 4.22Å; I64-N208 PolarHBondContact O-ND2 3.4Å
65	S	92.6	Very high	92.9	Very high	37 Å²	37	31 Å²	31	26%	0.259	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	151.7	-179.4	58.6	0	0	0	0	112	T74	S65-T74 PolarHBondContact N-O 2.84Å; S65-T74 PolarHBondContact O-N 3Å
66	L	93.4	Very high	92.8	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.5	162.5	-177.9	71.6	0	0	0	107	T72 L73 C151 I153 Q163 W211 I242	L66-T72 WeakPolarHBondContact CA-O 3.37Å; L66-L73 HydrophobicContact CB-CD1 4.33Å; L66-L73 HydrophobicContact CD1-CB 3.68Å; L66-L73 HydrophobicContact CD1-CD1 4.06Å; L66-L73 HydrophobicContact CD1-CG 4.46Å; L66-C151 HydrophobicContact CD1-CB 4.36Å; L66-I153 HydrophobicContact CD1-CD1 3.95Å; L66-I153 HydrophobicContact CD2-CD1 3.65Å; L66-I153 HydrophobicContact CG-CD1 3.93Å; L66-Q163 HydrophobicContact CD2-CB 4.22Å; L66-Q163 HydrophobicContact CD2-CG 3.87Å; L66-W211 HydrophobicContact CB-CZ2 4.11Å; L66-W211 HydrophobicContact CD2-CH2 3.62Å; L66-W211 HydrophobicContact CD2-CZ2 3.42Å; L66-W211 VanDerWaalsContact CD2-CZ2 3.42Å; L66-W211 HydrophobicContact CD2-CZ3 4.31Å; L66-W211 HydrophobicContact CG-CZ2 4.27Å; L66-I242 HydrophobicContact CD2-CD1 4.05Å
67	K	91.3	Very high	92.7	Very high	89 Å²	89	31.8 Å²	31.8	39%	0.387	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113.4	176.3	-65.5	179.2	178.7	-178.7	0	109.1	E70 E71 T72	K67-E70 HydrophobicContact CB-CB 4.25Å; K67-E70 HydrophobicContact CD-CB 4.48Å; K67-E70 VanDerWaalsContact CD-CD 3.46Å; K67-E70 HydrophobicContact CD-CG 4.34Å; K67-E70 WeakPolarHBondContact CD-OE2 3.49Å; K67-E70 IonicContact NZ-OE1 2.71Å; K67-E70 PolarHBondContact NZ-OE1 2.72Å; K67-E70 IonicContact NZ-OE2 3.85Å; K67-E70 PolarHBondContact NZ-OE2 2.85Å; K67-E71 WeakPolarHBondContact O-CA 3.25Å; K67-E71 PolarHBondContact O-N 2.82Å; K67-T72 PolarHBondContact N-O 3.45Å; K67-T72 PolarHBondContact O-N 2.79Å; K67-T72 VanDerWaalsContact O-N 3.14Å
68	E	89.3	Confident	92.6	Very high	24 Å²	24	37.1 Å²	37.1	11%	0.112	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-34.8	-174.4	-55.9	85.9	165.9	0	0	112.7	E70 E71 I153 R244 P300	E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 3.49Å; E68-E71 PolarHBondContact O-N 2.89Å; E68-I153 HydrophobicContact CB-CG1 4.31Å; E68-I153 HydrophobicContact CB-CG2 4.43Å; E68-I153 HydrophobicContact CG-CG2 4.27Å; E68-R244 IonicContact OE1-CZ 2.97Å; E68-R244 IonicContact OE1-NH1 2.91Å; E68-R244 PolarHBondContact OE1-NH1 3.1Å; E68-R244 IonicContact OE1-NH2 3.16Å; E68-R244 PolarHBondContact OE1-NH2 3.45Å; E68-P300 HydrophobicContact CB-CG 4.38Å; E68-P300 WeakPolarHBondContact O-CB 3.45Å; E68-P300 WeakPolarHBondContact O-CG 3.46Å
69	V	86.4	Confident	92.5	Very high	95 Å²	95	37.2 Å²	37.2	58%	0.576	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.2	-179.7	-179.6	0	0	0	0	112
70	E	87.8	Confident	92.5	Very high	99 Å²	99	36.4 Å²	36.4	46%	0.463	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.2	178.6	-67.4	173.3	-156.2	0	0	112.2	K67 E68 T72 N119	K67-E70 HydrophobicContact CB-CB 4.25Å; K67-E70 HydrophobicContact CD-CB 4.48Å; K67-E70 VanDerWaalsContact CD-CD 3.46Å; K67-E70 HydrophobicContact CD-CG 4.34Å; K67-E70 WeakPolarHBondContact CD-OE2 3.49Å; K67-E70 IonicContact NZ-OE1 2.71Å; K67-E70 PolarHBondContact NZ-OE1 2.72Å; K67-E70 IonicContact NZ-OE2 3.85Å; K67-E70 PolarHBondContact NZ-OE2 2.85Å; E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 3.49Å; E70-T72 HydrophobicContact CB-CG2 4Å; E70-T72 PolarHBondContact O-N 3.36Å; E70-T72 PolarHBondContact OE2-OG1 3.22Å; E70-N119 PolarHBondContact O-ND2 2.8Å; E70-N119 VanDerWaalsContact O-ND2 3.17Å
71	E	91.2	Very high	92.5	Very high	61 Å²	61	36.3 Å²	36.3	29%	0.285	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	39.8	-170.7	-59.2	-168.5	131.7	0	0	112.6	K67 E68 C151 I153	K67-E71 WeakPolarHBondContact O-CA 3.25Å; K67-E71 PolarHBondContact O-N 2.82Å; E68-E71 PolarHBondContact O-N 2.89Å; E71-C151 PolarHBondContact O-N 3.34Å; E71-I153 HydrophobicContact CG-CG1 4.23Å
72	T	93.1	Very high	92.6	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.3	-177.5	53.1	0	0	0	0	112.9	L66 K67 E70 N119	L66-T72 WeakPolarHBondContact CA-O 3.37Å; K67-T72 PolarHBondContact N-O 3.45Å; K67-T72 PolarHBondContact O-N 2.79Å; K67-T72 VanDerWaalsContact O-N 3.14Å; E70-T72 HydrophobicContact CB-CG2 4Å; E70-T72 PolarHBondContact O-N 3.36Å; E70-T72 PolarHBondContact OE2-OG1 3.22Å; T72-N119 HydrophobicContact CG2-CB 3.67Å; T72-N119 WeakPolarHBondContact CG2-ND2 3.5Å
73	L	94.8	Very high	92.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.8	166.7	173.2	68.5	0	0	0	109.1	L63 L66 T75 R148 S149 C151 C165 L240	L63-L73 HydrophobicContact CD1-CD1 4.42Å; L63-L73 HydrophobicContact CD2-CD1 4.32Å; L63-L73 HydrophobicContact CG-CD1 4.22Å; L66-L73 HydrophobicContact CB-CD1 4.33Å; L66-L73 HydrophobicContact CD1-CB 3.68Å; L66-L73 HydrophobicContact CD1-CD1 4.06Å; L66-L73 HydrophobicContact CD1-CG 4.46Å; L73-T75 HydrophobicContact CD1-CG2 4.14Å; L73-T75 HydrophobicContact CD2-CG2 3.98Å; L73-T75 HydrophobicContact CG-CG2 3.88Å; L73-R148 CarbonylContact O-C 3.38Å; L73-R148 VanDerWaalsContact O-CA 3.29Å; L73-R148 WeakPolarHBondContact O-CA 3.4Å; L73-S149 WeakPolarHBondContact CB-OG 3.45Å; L73-S149 PolarHBondContact N-O 3.01Å; L73-S149 PolarHBondContact O-N 3.44Å; L73-S149 PolarHBondContact O-OG 3.23Å; L73-C151 HydrophobicContact CB-CB 4.32Å; L73-C165 HydrophobicContact CD2-CB 3.57Å; L73-L240 HydrophobicContact CD2-CD1 4.19Å
74	T	93.8	Very high	92.8	Very high	9 Å²	9	35.9 Å²	35.9	6%	0.055	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119	175.7	-51.5	0	0	0	0	110.4	I64 S65 I146 F147 R148	I64-T74 HydrophobicContact CB-CG2 4.05Å; I64-T74 WeakPolarHBondContact CB-O 3.18Å; I64-T74 HydrophobicContact CD1-CG2 3.9Å; I64-T74 HydrophobicContact CG2-CG2 4.26Å; I64-T74 PolarHBondContact N-O 3.47Å; S65-T74 PolarHBondContact N-O 2.84Å; S65-T74 PolarHBondContact O-N 3Å; T74-I146 HydrophobicContact CG2-CG2 3.96Å; T74-F147 VanDerWaalsContact CA-O 3.29Å; T74-F147 WeakPolarHBondContact CA-O 3.49Å; T74-R148 HydrophobicContact CG2-CG 4.1Å
75	T	93.8	Very high	93	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.5	-178.5	52.1	0	0	0	0	111.3	L60 L73 I146 F147 L240	L60-T75 HydrophobicContact CD1-CG2 4.07Å; L73-T75 HydrophobicContact CD1-CG2 4.14Å; L73-T75 HydrophobicContact CD2-CG2 3.98Å; L73-T75 HydrophobicContact CG-CG2 3.88Å; T75-I146 WeakPolarHBondContact O-CA 3.47Å; T75-F147 PolarHBondContact N-O 3.3Å; T75-F147 PolarHBondContact O-N 2.94Å; T75-L240 HydrophobicContact CG2-CD1 4.21Å
76	N	93.1	Very high	92.9	Very high	39 Å²	39	33.5 Å²	33.5	21%	0.209	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.2	166.9	-176.1	16.2	0	0	0	108.8	S61 N62 I64	S61-N76 WeakPolarHBondContact CB-O 3.46Å; S61-N76 PolarHBondContact N-O 2.85Å; N62-N76 HydrophobicContact CB-CB 4.32Å; N62-N76 PolarHBondContact N-O 2.75Å; N62-N76 PolarHBondContact O-N 3.19Å; I64-N76 HydrophobicContact CD1-CB 4.13Å
77	V	93.9	Very high	92.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.1	-173.2	-59.4	0	0	0	0	111.1	L58 T59 L60 I79 A145 F147	L58-V77 HydrophobicContact CD1-CB 3.78Å; L58-V77 HydrophobicContact CD1-CG1 4.28Å; L58-V77 HydrophobicContact CD1-CG2 3.82Å; L58-V77 HydrophobicContact CD2-CG1 4.3Å; L58-V77 HydrophobicContact CG-CB 4.21Å; L58-V77 HydrophobicContact CG-CG1 4.31Å; T59-V77 CarbonylContact O-C 3.57Å; T59-V77 VanDerWaalsContact O-CA 3.29Å; T59-V77 WeakPolarHBondContact O-CA 3.16Å; L60-V77 HydrophobicContact CD1-CG1 3.69Å; V77-I79 HydrophobicContact CG2-CG1 4.35Å; V77-A145 HydrophobicContact CG2-CB 4.36Å; V77-A145 PolarHBondContact N-O 2.83Å; V77-A145 PolarHBondContact O-N 2.87Å; V77-A145 VanDerWaalsContact O-O 3.11Å; V77-F147 HydrophobicContact CG2-CD2 3.38Å; V77-F147 HydrophobicContact CG2-CE2 3.57Å
78	W	93.9	Very high	92.9	Very high	113 Å²	113	32.1 Å²	32.1	43%	0.428	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.3	171.3	-62.5	39.1	0	0	0	105.8	T59 L142 P144	T59-W78 PolarHBondContact N-O 3.1Å; T59-W78 PolarHBondContact O-N 3.25Å; W78-L142 HydrophobicContact CB-CD1 4.05Å; W78-L142 HydrophobicContact CB-CG 4.34Å; W78-L142 HydrophobicContact CE3-CD2 3.56Å; W78-L142 HydrophobicContact CE3-CG 3.84Å; W78-L142 HydrophobicContact CZ3-CD2 4.01Å; W78-P144 HydrophobicContact CD2-CB 4.5Å; W78-P144 HydrophobicContact CG-CB 4.42Å
79	I	93.2	Very high	93.1	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.3	-180	-53.8	162.6	0	0	0	107.6	L56 L58 V77 H81 L142 P143 A145 F147 F169	L56-I79 HydrophobicContact CD2-CG2 4.49Å; L58-I79 HydrophobicContact CD1-CB 4.47Å; L58-I79 HydrophobicContact CD1-CG1 3.73Å; V77-I79 HydrophobicContact CG2-CG1 4.35Å; I79-H81 WeakPolarHBondContact CG2-CE1 3.48Å; I79-H81 PolarHBondContact O-ND1 3.41Å; I79-L142 WeakPolarHBondContact O-CA 3.45Å; I79-P143 PolarHBondContact N-O 2.85Å; I79-P143 VanDerWaalsContact O-CD 3.25Å; I79-P143 WeakPolarHBondContact O-CD 3.39Å; I79-A145 HydrophobicContact CD1-CB 4.46Å; I79-F147 HydrophobicContact CD1-CE2 3.31Å; I79-F147 HydrophobicContact CD1-CZ 3.37Å; I79-F147 HydrophobicContact CG1-CE2 3.92Å; I79-F147 HydrophobicContact CG1-CZ 4.44Å; I79-F169 HydrophobicContact CD1-CE1 3.78Å; I79-F169 HydrophobicContact CD1-CZ 4.16Å; I79-F169 HydrophobicContact CG1-CE1 4.46Å; I79-F169 HydrophobicContact CG1-CZ 4.38Å
80	E	94.8	Very high	93.4	Very high	16 Å²	16	31.2 Å²	31.2	8%	0.075	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.7	173.3	-167.6	-179.1	147.9	0	0	109.2	L56 A57 Y140 L142 K184	L56-E80 WeakPolarHBondContact CA-O 3.49Å; A57-E80 HydrophobicContact CB-CB 4.03Å; A57-E80 PolarHBondContact N-O 2.86Å; A57-E80 PolarHBondContact O-N 2.91Å; E80-Y140 VanDerWaalsContact CD-CE2 3.46Å; E80-Y140 HydrophobicContact CG-CD2 4.23Å; E80-Y140 HydrophobicContact CG-CE2 3.45Å; E80-Y140 VanDerWaalsContact CG-CE2 3.45Å; E80-Y140 VanDerWaalsContact OE1-CE2 3.24Å; E80-Y140 WeakPolarHBondContact OE1-CE2 3.28Å; E80-L142 HydrophobicContact CB-CD1 3.74Å; E80-L142 HydrophobicContact CG-CD1 4.19Å; E80-K184 VanDerWaalsContact OE1-CD 3.25Å; E80-K184 WeakPolarHBondContact OE1-CD 2.96Å; E80-K184 WeakPolarHBondContact OE1-CE 3.33Å; E80-K184 IonicContact OE1-NZ 2.67Å; E80-K184 PolarHBondContact OE1-NZ 2.89Å; E80-K184 IonicContact OE2-NZ 4Å; E80-K184 PolarHBondContact OE2-NZ 2.75Å
81	H	94.8	Very high	93.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.6	171.9	-54.6	78.8	0	0	0	108.7	A55 L56 I79 W83 Y140 W141	A55-H81 WeakPolarHBondContact O-CA 3.14Å; L56-H81 HydrophobicContact CD2-CB 4.43Å; L56-H81 WeakPolarHBondContact CD2-CD2 3.42Å; I79-H81 WeakPolarHBondContact CG2-CE1 3.48Å; I79-H81 PolarHBondContact O-ND1 3.41Å; H81-W83 HydrophobicContact CB-CE3 4.1Å; H81-W83 HydrophobicContact CB-CZ3 3.8Å; H81-Y140 WeakPolarHBondContact O-CA 3.27Å; H81-W141 HydrophobicContact CB-CB 4.3Å; H81-W141 HydrophobicContact CB-CE3 4.22Å; H81-W141 AromaticContact CE1-CE3 3.73Å; H81-W141 AromaticContact CE1-CZ3 3.77Å; H81-W141 AromaticContact CG-CE3 3.76Å; H81-W141 PolarHBondContact N-O 3.41Å; H81-W141 AromaticContact ND1-CE3 3.44Å; H81-W141 AromaticContact ND1-CZ3 3.97Å; H81-W141 PolarHBondContact O-N 3Å
82	G	95.5	Very high	93.8	Very high	4 Å²	4	27.9 Å²	27.9	4%	0.041	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.5	172.3	0	0	0	0	0	110.3	V54 A55 V139	V54-G82 CarbonylContact C-O 3.6Å; V54-G82 WeakPolarHBondContact CA-O 3.43Å; A55-G82 PolarHBondContact N-O 3.13Å; A55-G82 PolarHBondContact O-N 3.18Å; G82-V139 WeakPolarHBondContact CA-O 3.12Å
83	W	95.7	Very high	93.7	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	168.5	171.5	71	97.3	0	0	0	110.2	V52 V54 H81 W109 L110 V131 F138 V139 W141	V52-W83 HydrophobicContact CG1-CB 4.24Å; V54-W83 HydrophobicContact CG2-CB 4.31Å; H81-W83 HydrophobicContact CB-CE3 4.1Å; H81-W83 HydrophobicContact CB-CZ3 3.8Å; W83-W109 AromaticContact CD1-CZ3 3.82Å; W83-W109 HydrophobicContact CG-CZ3 4.29Å; W83-W109 VanDerWaalsContact CZ2-O 3.31Å; W83-W109 WeakPolarHBondContact CZ2-O 3.41Å; W83-W109 AromaticContact NE1-CE3 3.7Å; W83-W109 AromaticContact NE1-CZ3 3.85Å; W83-L110 HydrophobicContact CH2-CD2 3.7Å; W83-L110 HydrophobicContact CZ2-CD2 4.04Å; W83-V131 HydrophobicContact CH2-CG1 4.38Å; W83-F138 WeakPolarHBondContact O-CD2 3.42Å; W83-V139 HydrophobicContact CD2-CB 3.87Å; W83-V139 HydrophobicContact CD2-CG1 4.15Å; W83-V139 HydrophobicContact CE3-CB 4.32Å; W83-V139 HydrophobicContact CE3-CG1 4.34Å; W83-V139 HydrophobicContact CG-CB 4.33Å; W83-V139 HydrophobicContact CH2-CB 4.28Å; W83-V139 HydrophobicContact CH2-CG1 3.49Å; W83-V139 VanDerWaalsContact CH2-CG1 3.49Å; W83-V139 HydrophobicContact CZ2-CB 3.84Å; W83-V139 HydrophobicContact CZ2-CG1 3.22Å; W83-V139 HydrophobicContact CZ3-CB 4.49Å; W83-V139 HydrophobicContact CZ3-CG1 4.03Å; W83-V139 PolarHBondContact N-O 2.65Å; W83-V139 VanDerWaalsContact N-O 3.07Å; W83-V139 PolarHBondContact O-N 3.22Å; W83-W141 HydrophobicContact CH2-CB 3.99Å; W83-W141 HydrophobicContact CZ3-CB 3.81Å
84	T	95.2	Very high	93.4	Very high	64 Å²	64	40.7 Å²	40.7	39%	0.393	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.3	177.8	-55.4	0	0	0	0	110.3	G137	T84-G137 CarbonylContact C-O 3.58Å; T84-G137 WeakPolarHBondContact CA-O 3.29Å
85	D	94.9	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.			trans	-110.5	106.9	170.8	-167.4	-25.3	0	0	0	110.3	Y38 P44 R87 L88 G137 V139	Y38-D85 VanDerWaalsContact CE2-OD2 3.29Å; Y38-D85 WeakPolarHBondContact CE2-OD2 3.45Å; Y38-D85 PolarHBondContact OH-OD2 3.08Å; P44-D85 HydrophobicContact CB-CB 3.81Å; P44-D85 VanDerWaalsContact CB-OD1 3.24Å; P44-D85 WeakPolarHBondContact CB-OD1 3.36Å; P44-D85 WeakPolarHBondContact CB-OD2 3.34Å; P44-D85 HydrophobicContact CG-CB 4.41Å; D85-R87 PolarHBondContact O-N 3.03Å; D85-R87 VanDerWaalsContact O-N 3.16Å; D85-R87 VanDerWaalsContact OD1-CB 3.26Å; D85-R87 WeakPolarHBondContact OD1-CB 3.36Å; D85-R87 IonicContact OD1-CZ 3.75Å; D85-R87 PolarHBondContact OD1-N 3.27Å; D85-R87 IonicContact OD1-NE 2.72Å; D85-R87 PolarHBondContact OD1-NE 3.06Å; D85-R87 IonicContact OD1-NH2 2.79Å; D85-R87 IonicContact OD2-CZ 3.56Å; D85-R87 IonicContact OD2-NE 3.71Å; D85-R87 IonicContact OD2-NH2 3.44Å; D85-R87 PolarHBondContact OD2-NH2 3.36Å; D85-L88 HydrophobicContact CB-CB 4.34Å; D85-L88 HydrophobicContact CB-CD1 4.05Å; D85-L88 HydrophobicContact CB-CG 4.19Å; D85-L88 PolarHBondContact O-N 2.93Å; D85-G137 PolarHBondContact N-O 2.93Å; D85-V139 HydrophobicContact CB-CG2 4.05Å
86	N	90.9	Very high	92.7	Very high	73 Å²	73	43.5 Å²	43.5	39%	0.39	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-61.9	-23.1	-179.8	-73.2	-33.1	0	0	0	113.5	L88 K89	N86-L88 VanDerWaalsContact C-N 3.35Å; N86-K89 WeakPolarHBondContact OD1-CE 3.48Å; N86-K89 PolarHBondContact OD1-NZ 2.97Å
87	R	91.6	Very high	92.6	Very high	66 Å²	66	47.2 Å²	47.2	25%	0.249	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-78.2	-24.7	-178.4	-55.9	170	-66.4	-179.9	1.3	111.9	Y38 N39 L42 D85 K89	Y38-R87 HydrophobicContact CD2-CB 4.02Å; Y38-R87 HydrophobicContact CE2-CB 4.12Å; Y38-R87 PolarHBondContact OH-NH2 2.73Å; N39-R87 PolarHBondContact O-NH1 3.37Å; L42-R87 PolarHBondContact O-NH1 3.5Å; L42-R87 PolarHBondContact O-NH2 3.39Å; D85-R87 PolarHBondContact O-N 3.03Å; D85-R87 VanDerWaalsContact O-N 3.16Å; D85-R87 VanDerWaalsContact OD1-CB 3.26Å; D85-R87 WeakPolarHBondContact OD1-CB 3.36Å; D85-R87 IonicContact OD1-CZ 3.75Å; D85-R87 PolarHBondContact OD1-N 3.27Å; D85-R87 IonicContact OD1-NE 2.72Å; D85-R87 PolarHBondContact OD1-NE 3.06Å; D85-R87 IonicContact OD1-NH2 2.79Å; D85-R87 IonicContact OD2-CZ 3.56Å; D85-R87 IonicContact OD2-NE 3.71Å; D85-R87 IonicContact OD2-NH2 3.44Å; D85-R87 PolarHBondContact OD2-NH2 3.36Å; R87-K89 VanDerWaalsContact C-N 3.3Å; R87-K89 PolarHBondContact O-N 3.29Å
88	L	92.9	Very high	92.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-92.8	21.2	-179.9	-61.5	177.4	0	0	0	112.9	F33 Y38 D85 N86 W90 V108 V133 V139	F33-L88 HydrophobicContact CZ-CD2 4.32Å; Y38-L88 HydrophobicContact CD2-CD2 3.75Å; Y38-L88 HydrophobicContact CD2-CG 4.26Å; Y38-L88 HydrophobicContact CE2-CD1 4.16Å; Y38-L88 HydrophobicContact CE2-CD2 3.67Å; Y38-L88 HydrophobicContact CE2-CG 3.73Å; Y38-L88 HydrophobicContact CG-CD2 4.46Å; D85-L88 HydrophobicContact CB-CB 4.34Å; D85-L88 HydrophobicContact CB-CD1 4.05Å; D85-L88 HydrophobicContact CB-CG 4.19Å; D85-L88 PolarHBondContact O-N 2.93Å; N86-L88 VanDerWaalsContact C-N 3.35Å; L88-W90 WeakPolarHBondContact O-CZ3 3.26Å; L88-V108 HydrophobicContact CD1-CG1 4.02Å; L88-V133 HydrophobicContact CB-CG1 3.91Å; L88-V133 HydrophobicContact CD1-CG1 4.27Å; L88-V133 HydrophobicContact CD1-CG2 4.28Å; L88-V139 HydrophobicContact CD1-CG2 4.33Å
89	K	93.2	Very high	92.4	Very high	81 Å²	81	46 Å²	46	35%	0.352	25%	0.25	S	C	.	.			trans	-83.1	138.7	173.5	-68.4	177.1	169.1	173.2	0	111.2	K36 N86 R87 D135 Y136	K36-K89 PolarHBondContact NZ-O 2.78Å; N86-K89 WeakPolarHBondContact OD1-CE 3.48Å; N86-K89 PolarHBondContact OD1-NZ 2.97Å; R87-K89 VanDerWaalsContact C-N 3.3Å; R87-K89 PolarHBondContact O-N 3.29Å; K89-D135 WeakPolarHBondContact CA-O 3.41Å; K89-Y136 WeakPolarHBondContact CE-O 3.27Å
90	W	93.6	Very high	92.4	Very high	18 Å²	18	48.1 Å²	48.1	7%	0.068	26%	0.263	C	S	.	.			trans	-142.5	162.2	170.9	68.4	93.4	0	0	0	111.2	L28 L32 L88 F95 I98 L101 V133 Y134 D135	L28-W90 HydrophobicContact CD1-CB 3.75Å; L28-W90 HydrophobicContact CD1-CD2 3.95Å; L28-W90 HydrophobicContact CD1-CE3 4.48Å; L28-W90 HydrophobicContact CD1-CG 3.59Å; L28-W90 HydrophobicContact CD2-CD2 3.87Å; L28-W90 HydrophobicContact CD2-CE3 4.45Å; L28-W90 HydrophobicContact CD2-CG 4.14Å; L28-W90 HydrophobicContact CD2-CZ2 4.03Å; L28-W90 HydrophobicContact CG-CD2 4.46Å; L32-W90 HydrophobicContact CD1-CE3 3.88Å; L32-W90 HydrophobicContact CD1-CZ3 4.2Å; L88-W90 WeakPolarHBondContact O-CZ3 3.26Å; W90-F95 HydrophobicContact CB-CD2 4.47Å; W90-F95 HydrophobicContact CB-CE2 4.49Å; W90-I98 HydrophobicContact CZ2-CG2 4.42Å; W90-I98 PolarHBondContact NE1-O 2.81Å; W90-L101 HydrophobicContact CH2-CB 3.76Å; W90-L101 HydrophobicContact CZ2-CB 4.17Å; W90-V133 HydrophobicContact CH2-CB 4.35Å; W90-V133 HydrophobicContact CH2-CG1 4.06Å; W90-V133 WeakPolarHBondContact CH2-O 3.33Å; W90-V133 HydrophobicContact CZ3-CB 4.39Å; W90-V133 HydrophobicContact CZ3-CG1 3.7Å; W90-Y134 VanDerWaalsContact CH2-C 3.47Å; W90-D135 HydrophobicContact CD2-CB 4.35Å; W90-D135 HydrophobicContact CZ2-CB 4.03Å; W90-D135 PolarHBondContact N-O 2.88Å; W90-D135 VanDerWaalsContact N-O 3.11Å
91	N	94.1	Very high	92.4	Very high	73 Å²	73	47.4 Å²	47.4	39%	0.39	26%	0.26	S	S	.	.			trans	-87.7	115.3	172.3	-175.3	5.1	0	0	0	109.1	E93 E94	N91-E93 PolarHBondContact O-N 2.79Å; N91-E93 PolarHBondContact OD1-N 3.04Å; N91-E94 HydrophobicContact CB-CG 4.21Å; N91-E94 PolarHBondContact ND2-OE1 3.07Å; N91-E94 PolarHBondContact O-N 2.76Å
92	A	92.3	Very high	92.4	Very high	17 Å²	17	56.1 Å²	56.1	14%	0.14	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-58.8	-35.7	-177	0	0	0	0	0	112.1	E94 F95 N97 D135	A92-E94 PolarHBondContact O-N 3.26Å; A92-F95 PolarHBondContact O-N 2.93Å; A92-N97 WeakPolarHBondContact O-CA 3.25Å; A92-N97 PolarHBondContact O-N 2.94Å; A92-D135 HydrophobicContact CB-CB 4.43Å
93	E	90.9	Very high	92.3	Very high	157 Å²	157	56 Å²	56	73%	0.734	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-62	-29.6	-177.7	-62	-175	171.7	0	0	113.1	N91 N97	N91-E93 PolarHBondContact O-N 2.79Å; N91-E93 PolarHBondContact OD1-N 3.04Å; E93-N97 WeakPolarHBondContact CA-OD1 3.24Å
94	E	89.6	Confident	92.3	Very high	116 Å²	116	58.5 Å²	58.5	54%	0.542	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-79.6	-23.6	-177.9	-71.1	170.7	-153	0	0	113.4	R27 N91 A92	R27-E94 PolarHBondContact NH2-O 2.83Å; N91-E94 HydrophobicContact CB-CG 4.21Å; N91-E94 PolarHBondContact ND2-OE1 3.07Å; N91-E94 PolarHBondContact O-N 2.76Å; A92-E94 PolarHBondContact O-N 3.26Å
95	F	88.1	Confident	92.1	Very high	11 Å²	11	55.6 Å²	55.6	5%	0.048	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-117.8	34.6	-173.7	-63.2	-85.4	0	0	0	112	R27 L28 H31 W90 A92 I98	R27-F95 HydrophobicContact CG-CE1 4.34Å; L28-F95 HydrophobicContact CB-CB 4.47Å; L28-F95 HydrophobicContact CB-CD1 3.88Å; L28-F95 HydrophobicContact CB-CE1 4.39Å; L28-F95 HydrophobicContact CB-CG 4.23Å; L28-F95 HydrophobicContact CD1-CB 4.48Å; L28-F95 HydrophobicContact CD1-CD1 4.04Å; L28-F95 HydrophobicContact CD1-CD2 3.87Å; L28-F95 HydrophobicContact CD1-CE1 4.21Å; L28-F95 HydrophobicContact CD1-CE2 4.06Å; L28-F95 HydrophobicContact CD1-CG 3.87Å; L28-F95 HydrophobicContact CD1-CZ 4.22Å; H31-F95 HydrophobicContact CB-CE1 4.21Å; H31-F95 HydrophobicContact CB-CZ 4.13Å; H31-F95 AromaticContact CD2-CZ 3.71Å; H31-F95 AromaticContact CG-CZ 3.84Å; W90-F95 HydrophobicContact CB-CD2 4.47Å; W90-F95 HydrophobicContact CB-CE2 4.49Å; A92-F95 PolarHBondContact O-N 2.93Å; F95-I98 WeakPolarHBondContact O-CD1 3.22Å; F95-I98 VanDerWaalsContact O-CG1 3.23Å; F95-I98 WeakPolarHBondContact O-CG1 3.24Å
96	G	85.4	Confident	91.9	Very high	57 Å²	57	60.7 Å²	60.7	59%	0.588	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	31.5	173.9	0	0	0	0	0	114.7	I98	G96-I98 VanDerWaalsContact C-N 3.28Å; G96-I98 PolarHBondContact O-N 2.78Å
97	N	90.9	Very high	92	Very high	116 Å²	116	61 Å²	61	62%	0.62	32%	0.317	S	S	*	.	S	Bend	trans	59.2	32.3	-179	-65.7	-29.9	0	0	0	114.4	A92 E93 S99	A92-N97 WeakPolarHBondContact O-CA 3.25Å; A92-N97 PolarHBondContact O-N 2.94Å; E93-N97 WeakPolarHBondContact CA-OD1 3.24Å; N97-S99 PolarHBondContact O-N 3.21Å; N97-S99 VanDerWaalsContact O-N 3.14Å
98	I	91	Very high	92.1	Very high	22 Å²	22	58 Å²	58	11%	0.113	31%	0.307	C	S	.	.			trans	-70.3	108	172.4	-62.3	166.6	0	0	0	108.6	E24 E25 L28 W90 F95 G96 V100	E24-I98 HydrophobicContact CB-CD1 3.89Å; E25-I98 HydrophobicContact CB-CD1 4.43Å; E25-I98 HydrophobicContact CG-CD1 3.73Å; L28-I98 HydrophobicContact CD2-CG2 4.24Å; W90-I98 HydrophobicContact CZ2-CG2 4.42Å; W90-I98 PolarHBondContact NE1-O 2.81Å; F95-I98 WeakPolarHBondContact O-CD1 3.22Å; F95-I98 VanDerWaalsContact O-CG1 3.23Å; F95-I98 WeakPolarHBondContact O-CG1 3.24Å; G96-I98 VanDerWaalsContact C-N 3.28Å; G96-I98 PolarHBondContact O-N 2.78Å; I98-V100 WeakPolarHBondContact CG2-O 3.4Å
99	S	91.4	Very high	92.2	Very high	67 Å²	67	58.2 Å²	58.2	47%	0.469	31%	0.307	S	S	.	.			trans	-88.9	-25.9	176	57.2	0	0	0	0	113.4	N97 Y134 D135	N97-S99 PolarHBondContact O-N 3.21Å; N97-S99 VanDerWaalsContact O-N 3.14Å; S99-Y134 WeakPolarHBondContact O-CA 3.45Å; S99-D135 PolarHBondContact O-N 2.89Å; S99-D135 VanDerWaalsContact O-N 3.14Å
100	V	94.4	Very high	92.1	Very high	48 Å²	48	55.8 Å²	55.8	29%	0.291	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130	-177.2	-176.5	0	0	0	0	110	I98 L132 V133 Y134	I98-V100 WeakPolarHBondContact CG2-O 3.4Å; V100-L132 HydrophobicContact CG1-CB 4.34Å; V100-L132 HydrophobicContact CG1-CD2 3.82Å; V100-V133 CarbonylContact C-O 3.54Å; V100-V133 WeakPolarHBondContact CA-O 3.48Å; V100-Y134 HydrophobicContact CG2-CD1 3.62Å; V100-Y134 HydrophobicContact CG2-CE1 3.47Å; V100-Y134 VanDerWaalsContact CG2-CE1 3.47Å
101	L	94.1	Very high	91.9	Very high	1 Å²	1	55 Å²	55	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.5	176.4	-172.4	66	0	0	0	110.1	E25 L28 I29 L32 W90 L103 V133	E25-L101 HydrophobicContact CB-CD1 4.17Å; E25-L101 HydrophobicContact CG-CD1 4.2Å; L28-L101 HydrophobicContact CD2-CD1 4.39Å; L28-L101 HydrophobicContact CD2-CD2 4.04Å; L28-L101 HydrophobicContact CG-CD2 4.29Å; I29-L101 HydrophobicContact CD1-CD1 4.32Å; I29-L101 HydrophobicContact CG1-CD1 4.23Å; I29-L101 HydrophobicContact CG1-CD2 3.99Å; L32-L101 HydrophobicContact CD1-CD2 4.07Å; W90-L101 HydrophobicContact CH2-CB 3.76Å; W90-L101 HydrophobicContact CZ2-CB 4.17Å; L101-L103 HydrophobicContact CD2-CD1 4.02Å; L101-L103 HydrophobicContact CD2-CD2 4Å; L101-L103 HydrophobicContact CD2-CG 4.05Å; L101-L103 HydrophobicContact CG-CD2 4.18Å; L101-L103 HydrophobicContact CG-CG 4.08Å; L101-V133 PolarHBondContact N-O 3Å; L101-V133 PolarHBondContact O-N 2.95Å
102	R	94.8	Very high	91.6	Very high	184 Å²	184	55.7 Å²	55.7	69%	0.694	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.4	175.4	-77.9	171.2	-178.5	172.2	1.1	110	V131 L132	R102-V131 WeakPolarHBondContact CA-O 3.34Å; R102-L132 HydrophobicContact CG-CD2 3.36Å
103	L	94.1	Very high	91.5	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.8	-179.4	-66.1	172.6	0	0	0	111	I29 F33 L101 V108 N130 V131 V133	I29-L103 HydrophobicContact CD1-CD2 3.99Å; I29-L103 HydrophobicContact CG1-CD2 3.93Å; F33-L103 HydrophobicContact CE2-CD1 3.75Å; F33-L103 HydrophobicContact CE2-CD2 3.99Å; F33-L103 HydrophobicContact CZ-CD1 3.76Å; L101-L103 HydrophobicContact CD2-CD1 4.02Å; L101-L103 HydrophobicContact CD2-CD2 4Å; L101-L103 HydrophobicContact CD2-CG 4.05Å; L101-L103 HydrophobicContact CG-CD2 4.18Å; L101-L103 HydrophobicContact CG-CG 4.08Å; L103-V108 HydrophobicContact CB-CG1 4.47Å; L103-V108 HydrophobicContact CD1-CG1 4.05Å; L103-N130 CarbonylContact O-C 3.48Å; L103-N130 VanDerWaalsContact O-CA 3.29Å; L103-N130 WeakPolarHBondContact O-CA 3.42Å; L103-N130 WeakPolarHBondContact O-CB 3.25Å; L103-V131 PolarHBondContact N-O 2.88Å; L103-V131 PolarHBondContact O-N 3.29Å; L103-V133 HydrophobicContact CD1-CG2 3.93Å
104	P	94.3	Very high	91.5	Very high	56 Å²	56	48.6 Å²	48.6	36%	0.364	26%	0.261	S	S	.	.			trans	-58.5	140.1	167.5	-20.9	32.5	0	0	0	110.8	D106 M107	P104-D106 PolarHBondContact O-N 3.46Å; P104-D106 VanDerWaalsContact O-N 3.15Å; P104-M107 HydrophobicContact CB-CG 4.35Å; P104-M107 HydrophobicContact CG-CG 4.48Å; P104-M107 HydrophobicContact CG-SD 4.06Å; P104-M107 PolarHBondContact O-N 2.84Å
105	S	92.1	Very high	91.6	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.021	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-57.5	-30.1	179.9	57.7	0	0	0	0	113.2	M107 V108 S128	S105-M107 PolarHBondContact O-N 2.92Å; S105-V108 WeakPolarHBondContact O-CG2 3.29Å; S105-V108 PolarHBondContact O-N 2.95Å; S105-S128 WeakPolarHBondContact OG-CB 3.38Å
106	D	91.1	Very high	91.6	Very high	107 Å²	107	46.1 Å²	46.1	57%	0.572	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-73.7	-12.2	-175.5	-58.5	-20.2	0	0	0	114.2	K40 P104	K40-D106 WeakPolarHBondContact CD-O 3.45Å; K40-D106 PolarHBondContact NZ-O 3.01Å; P104-D106 PolarHBondContact O-N 3.46Å; P104-D106 VanDerWaalsContact O-N 3.15Å
107	M	91.6	Very high	91.9	Very high	78 Å²	78	44.9 Å²	44.9	38%	0.384	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-90.6	-21.7	179.1	-63.1	-173.2	75.4	0	0	112.7	F33 P104 S105	F33-M107 HydrophobicContact CE1-CB 4.21Å; F33-M107 WeakPolarHBondContact CE1-O 2.97Å; F33-M107 HydrophobicContact CZ-CB 4.26Å; P104-M107 HydrophobicContact CB-CG 4.35Å; P104-M107 HydrophobicContact CG-CG 4.48Å; P104-M107 HydrophobicContact CG-SD 4.06Å; P104-M107 PolarHBondContact O-N 2.84Å; S105-M107 PolarHBondContact O-N 2.92Å
108	V	94	Very high	91.8	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.03	21%	0.208	C	C	.	.	S	Bend	trans	-108.3	158.6	-175.3	-63.7	0	0	0	0	111.4	F33 L88 L103 S105 L110 V131	F33-V108 HydrophobicContact CZ-CG1 4.1Å; L88-V108 HydrophobicContact CD1-CG1 4.02Å; L103-V108 HydrophobicContact CB-CG1 4.47Å; L103-V108 HydrophobicContact CD1-CG1 4.05Å; S105-V108 WeakPolarHBondContact O-CG2 3.29Å; S105-V108 PolarHBondContact O-N 2.95Å; V108-L110 HydrophobicContact CG2-CD2 4.15Å; V108-V131 HydrophobicContact CG2-CB 4.38Å; V108-V131 HydrophobicContact CG2-CG1 4.49Å; V108-V131 HydrophobicContact CG2-CG2 3.97Å
109	W	94.5	Very high	91.4	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.011	22%	0.223	C	C	.	.			trans	-66.4	138	169.2	175.5	89.9	0	0	0	110	Y38 K40 R43 P44 V52 W83 P111 Y174 I179	Y38-W109 WeakPolarHBondContact OH-CB 3.49Å; Y38-W109 PolarHBondContact OH-N 2.93Å; K40-W109 WeakPolarHBondContact O-CB 3.42Å; K40-W109 VanDerWaalsContact O-CD1 3.23Å; R43-W109 HydrophobicContact CB-CZ2 4.38Å; P44-W109 VanDerWaalsContact CD-CD2 3.44Å; P44-W109 VanDerWaalsContact CD-CE3 3.5Å; P44-W109 HydrophobicContact CG-CD2 4.21Å; P44-W109 HydrophobicContact CG-CE3 3.76Å; P44-W109 HydrophobicContact CG-CH2 4.48Å; P44-W109 HydrophobicContact CG-CZ3 3.91Å; V52-W109 HydrophobicContact CB-CH2 4.42Å; V52-W109 HydrophobicContact CG1-CH2 4.14Å; V52-W109 HydrophobicContact CG1-CZ3 4.17Å; W83-W109 AromaticContact CD1-CZ3 3.82Å; W83-W109 HydrophobicContact CG-CZ3 4.29Å; W83-W109 VanDerWaalsContact CZ2-O 3.31Å; W83-W109 WeakPolarHBondContact CZ2-O 3.41Å; W83-W109 AromaticContact NE1-CE3 3.7Å; W83-W109 AromaticContact NE1-CZ3 3.85Å; W109-P111 HydrophobicContact CH2-CB 3.71Å; W109-P111 HydrophobicContact CH2-CG 4.49Å; W109-P111 HydrophobicContact CZ2-CB 4.37Å; W109-P111 HydrophobicContact CZ3-CB 4.08Å; W109-P111 HydrophobicContact CZ3-CG 4.38Å; W109-Y174 AromaticContact CE2-CZ 3.95Å; W109-Y174 HydrophobicContact CZ2-CD2 4.32Å; W109-Y174 HydrophobicContact CZ2-CE1 4.45Å; W109-Y174 AromaticContact CZ2-CE2 3.74Å; W109-Y174 HydrophobicContact CZ2-CE2 3.74Å; W109-Y174 AromaticContact CZ2-CZ 3.83Å; W109-Y174 AromaticContact NE1-CZ 3.5Å; W109-Y174 PolarHBondContact NE1-OH 2.84Å; W109-I179 HydrophobicContact CH2-CG2 4.3Å; W109-I179 HydrophobicContact CZ2-CG2 4.44Å
110	L	92.5	Very high	90.8	Very high	31 Å²	31	44 Å²	44	16%	0.162	22%	0.22	C	C	.	.			trans	-125.7	141.4	177	-60.6	170.6	0	0	0	109.8	W83 V108 E112 V131 W141	W83-L110 HydrophobicContact CH2-CD2 3.7Å; W83-L110 HydrophobicContact CZ2-CD2 4.04Å; V108-L110 HydrophobicContact CG2-CD2 4.15Å; L110-E112 PolarHBondContact O-N 2.75Å; L110-E112 VanDerWaalsContact O-N 3.17Å; L110-V131 HydrophobicContact CD2-CG2 4.4Å; L110-W141 HydrophobicContact CD1-CH2 4.21Å; L110-W141 HydrophobicContact CD1-CZ2 4.38Å; L110-W141 HydrophobicContact CD2-CD2 4.28Å; L110-W141 HydrophobicContact CD2-CE3 4.17Å; L110-W141 HydrophobicContact CD2-CZ3 4.32Å
111	P	89.6	Confident	89.7	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.			trans	-72.1	-2.2	178.9	27.1	-33	0	0	0	114.6	V54 W109 I113	V54-P111 HydrophobicContact CG1-CB 4.29Å; V54-P111 HydrophobicContact CG1-CG 3.9Å; V54-P111 HydrophobicContact CG2-CB 3.88Å; V54-P111 HydrophobicContact CG2-CG 4.18Å; W109-P111 HydrophobicContact CH2-CB 3.71Å; W109-P111 HydrophobicContact CH2-CG 4.49Å; W109-P111 HydrophobicContact CZ2-CB 4.37Å; W109-P111 HydrophobicContact CZ3-CB 4.08Å; W109-P111 HydrophobicContact CZ3-CG 4.38Å; P111-I113 HydrophobicContact CB-CD1 4.23Å; P111-I113 HydrophobicContact CB-CG1 4.37Å; P111-I113 HydrophobicContact CG-CG1 4.31Å; P111-I113 PolarHBondContact O-N 3.36Å
112	E	86.1	Confident	88.7	Confident	88 Å²	88	47.4 Å²	47.4	41%	0.411	25%	0.254	S	S	.	.			trans	40.9	64.9	-179.7	-71.5	-168.9	-154.1	0	0	114	L110 K173	L110-E112 PolarHBondContact O-N 2.75Å; L110-E112 VanDerWaalsContact O-N 3.17Å; E112-K173 HydrophobicContact CB-CD 4.37Å; E112-K173 HydrophobicContact CG-CD 4.45Å; E112-K173 IonicContact OE1-NZ 3.54Å; E112-K173 PolarHBondContact OE1-NZ 2.96Å; E112-K173 WeakPolarHBondContact OE2-CD 3.35Å; E112-K173 WeakPolarHBondContact OE2-CE 3.47Å; E112-K173 IonicContact OE2-NZ 2.84Å; E112-K173 PolarHBondContact OE2-NZ 3.24Å
113	I	90.5	Very high	87.5	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.5	174.2	-53.9	-55.1	0	0	0	109.4	L56 P111 F169 I179 L181	L56-I113 HydrophobicContact CD1-CG1 4.49Å; L56-I113 HydrophobicContact CD1-CG2 4.06Å; L56-I113 HydrophobicContact CD2-CG1 4.3Å; P111-I113 HydrophobicContact CB-CD1 4.23Å; P111-I113 HydrophobicContact CB-CG1 4.37Å; P111-I113 HydrophobicContact CG-CG1 4.31Å; P111-I113 PolarHBondContact O-N 3.36Å; I113-F169 HydrophobicContact CG2-CB 3.79Å; I113-F169 HydrophobicContact CG2-CD1 4.12Å; I113-F169 HydrophobicContact CG2-CG 4.35Å; I113-I179 HydrophobicContact CD1-CD1 4.17Å; I113-L181 HydrophobicContact CD1-CD2 3.67Å
114	V	90.8	Very high	86.1	Confident	18 Å²	18	50.7 Å²	50.7	11%	0.109	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.6	-177.6	-58.3	0	0	0	0	111.5	E116 F123 F169 S170 L172	V114-E116 PolarHBondContact O-N 3.35Å; V114-F123 HydrophobicContact CB-CB 4.11Å; V114-F123 HydrophobicContact CB-CD1 4.13Å; V114-F123 HydrophobicContact CG1-CB 3.99Å; V114-F123 HydrophobicContact CG2-CD1 4.21Å; V114-F169 WeakPolarHBondContact O-CA 3.41Å; V114-S170 WeakPolarHBondContact CG2-O 3.2Å; V114-S170 PolarHBondContact N-O 2.67Å; V114-S170 PolarHBondContact O-N 3.15Å; V114-L172 HydrophobicContact CG2-CB 4.47Å; V114-L172 HydrophobicContact CG2-CD1 3.62Å; V114-L172 HydrophobicContact CG2-CG 3.56Å
115	L	91.7	Very high	85	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	109.6	169.7	-177.2	75.5	0	0	0	109.6	N117 N118 F123 F147 L167 K168 F169	L115-N117 VanDerWaalsContact CD1-OD1 3.29Å; L115-N117 WeakPolarHBondContact CD1-OD1 3.5Å; L115-N118 HydrophobicContact CD2-CB 4.06Å; L115-N118 HydrophobicContact CG-CB 4.41Å; L115-F123 VanDerWaalsContact O-CD1 3.29Å; L115-F123 WeakPolarHBondContact O-CD1 3.35Å; L115-F123 WeakPolarHBondContact O-CE1 3.29Å; L115-F147 HydrophobicContact CB-CD1 4Å; L115-F147 HydrophobicContact CB-CE1 4.05Å; L115-F147 HydrophobicContact CD2-CB 3.82Å; L115-F147 HydrophobicContact CD2-CD1 3.76Å; L115-F147 HydrophobicContact CD2-CG 3.88Å; L115-F147 HydrophobicContact CG-CD1 4.49Å; L115-L167 HydrophobicContact CD1-CB 3.89Å; L115-L167 HydrophobicContact CD1-CD2 4.37Å; L115-K168 WeakPolarHBondContact CA-O 3.45Å; L115-F169 HydrophobicContact CB-CE1 4.2Å; L115-F169 HydrophobicContact CD1-CE1 4.21Å; L115-F169 HydrophobicContact CD1-CZ 4.19Å
116	E	89.1	Confident	84.1	Confident	73 Å²	73	53.3 Å²	53.3	34%	0.341	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-41.3	-176.5	-170	-175.7	141	0	0	112	V114 N118 K168 S170	V114-E116 PolarHBondContact O-N 3.35Å; E116-N118 PolarHBondContact O-N 2.68Å; E116-N118 VanDerWaalsContact O-N 3.1Å; E116-K168 HydrophobicContact CB-CD 4.29Å; E116-K168 HydrophobicContact CB-CG 4.43Å; E116-K168 PolarHBondContact N-O 2.92Å; E116-K168 IonicContact OE1-NZ 3.82Å; E116-K168 PolarHBondContact OE1-NZ 3.42Å; E116-K168 WeakPolarHBondContact OE2-CE 3.4Å; E116-K168 IonicContact OE2-NZ 3.88Å; E116-K168 PolarHBondContact OE2-NZ 3.09Å; E116-S170 PolarHBondContact OE2-OG 3.32Å
117	N	91.3	Very high	83.6	Confident	31 Å²	31	55.3 Å²	55.3	17%	0.166	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	46	179.7	71.1	-47.1	0	0	0	112.2	L115 S149 S150 S166 K168	L115-N117 VanDerWaalsContact CD1-OD1 3.29Å; L115-N117 WeakPolarHBondContact CD1-OD1 3.5Å; N117-S149 CarbonylContact O-C 3.54Å; N117-S149 VanDerWaalsContact O-CA 3.3Å; N117-S149 WeakPolarHBondContact O-CA 3.32Å; N117-S150 PolarHBondContact ND2-O 2.82Å; N117-S150 PolarHBondContact O-N 3.05Å; N117-S166 PolarHBondContact ND2-O 3.4Å; N117-K168 HydrophobicContact CB-CB 4.47Å; N117-K168 WeakPolarHBondContact OD1-CB 3.49Å; N117-K168 PolarHBondContact OD1-N 3.19Å
118	N	89	Confident	83.2	Confident	29 Å²	29	54.8 Å²	54.8	16%	0.155	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-80.6	151.9	174.7	71.2	-5.8	0	0	0	111.8	L115 E116 S122 F123 R148	L115-N118 HydrophobicContact CD2-CB 4.06Å; L115-N118 HydrophobicContact CG-CB 4.41Å; E116-N118 PolarHBondContact O-N 2.68Å; E116-N118 VanDerWaalsContact O-N 3.1Å; N118-S122 PolarHBondContact ND2-O 2.9Å; N118-F123 WeakPolarHBondContact ND2-CD1 3.29Å; N118-F123 WeakPolarHBondContact ND2-CE1 3.41Å; N118-F123 WeakPolarHBondContact ND2-CG 3.43Å; N118-F123 WeakPolarHBondContact ND2-CZ 3.42Å; N118-F123 VanDerWaalsContact OD1-CE1 3.23Å; N118-F123 WeakPolarHBondContact OD1-CE1 3.4Å; N118-F123 VanDerWaalsContact OD1-CZ 3.22Å; N118-F123 WeakPolarHBondContact OD1-CZ 3.26Å; N118-R148 WeakPolarHBondContact CA-O 3.04Å
119	N	83.4	Confident	83	Confident	80 Å²	80	55.5 Å²	55.5	43%	0.428	30%	0.302	S	S	.	.	S	Bend	trans	-101	-24.3	173.3	-156.1	5.3	0	0	0	112.8	E70 T72 R148	E70-N119 PolarHBondContact O-ND2 2.8Å; E70-N119 VanDerWaalsContact O-ND2 3.17Å; T72-N119 HydrophobicContact CG2-CB 3.67Å; T72-N119 WeakPolarHBondContact CG2-ND2 3.5Å; N119-R148 PolarHBondContact N-O 2.97Å; N119-R148 VanDerWaalsContact N-O 3.08Å
120	D	78.6	Confident	83	Confident	76 Å²	76	59.7 Å²	59.7	41%	0.406	33%	0.325	S	S	.	.	S	Bend	trans	-91	-5.1	-170.6	-80.3	36.2	0	0	0	114.6	S122 R148	D120-S122 PolarHBondContact O-N 2.58Å; D120-R148 WeakPolarHBondContact OD1-CD 3.47Å; D120-R148 WeakPolarHBondContact OD2-CD 3.18Å; D120-R148 IonicContact OD2-CZ 2.89Å; D120-R148 IonicContact OD2-NE 2.79Å; D120-R148 IonicContact OD2-NH1 2.68Å; D120-R148 PolarHBondContact OD2-NH1 3Å
121	G	70.3	Confident	83.2	Confident	50 Å²	50	58.2 Å²	58.2	52%	0.515	32%	0.317	S	S	.	.	S	Bend	trans	68.3	-1.2	-176.5	0	0	0	0	0	115.1	F123	G121-F123 WeakPolarHBondContact O-CD2 3.27Å
122	S	73.1	Confident	83.5	Confident	71 Å²	71	60.2 Å²	60.2	50%	0.497	33%	0.328	S	S	.	.			trans	-87.5	110.5	169.9	66.3	0	0	0	0	110.1	N118 D120	N118-S122 PolarHBondContact ND2-O 2.9Å; D120-S122 PolarHBondContact O-N 2.58Å
123	F	69.7	Low	84	Confident	77 Å²	77	56 Å²	56	34%	0.338	31%	0.308	S	S	.	.			trans	-95.6	-6.2	176.8	-62.4	-84.6	0	0	0	113.2	V114 L115 N118 G121	V114-F123 HydrophobicContact CB-CB 4.11Å; V114-F123 HydrophobicContact CB-CD1 4.13Å; V114-F123 HydrophobicContact CG1-CB 3.99Å; V114-F123 HydrophobicContact CG2-CD1 4.21Å; L115-F123 VanDerWaalsContact O-CD1 3.29Å; L115-F123 WeakPolarHBondContact O-CD1 3.35Å; L115-F123 WeakPolarHBondContact O-CE1 3.29Å; N118-F123 WeakPolarHBondContact ND2-CD1 3.29Å; N118-F123 WeakPolarHBondContact ND2-CE1 3.41Å; N118-F123 WeakPolarHBondContact ND2-CG 3.43Å; N118-F123 WeakPolarHBondContact ND2-CZ 3.42Å; N118-F123 VanDerWaalsContact OD1-CE1 3.23Å; N118-F123 WeakPolarHBondContact OD1-CE1 3.4Å; N118-F123 VanDerWaalsContact OD1-CZ 3.22Å; N118-F123 WeakPolarHBondContact OD1-CZ 3.26Å; G121-F123 WeakPolarHBondContact O-CD2 3.27Å
124	Q	65.6	Low	84.2	Confident	178 Å²	178	59 Å²	59	83%	0.832	32%	0.319	S	S	*	.	S	Bend	trans	-87.1	148.6	-175.6	-67.4	-178.9	-6.1	0	0	112.4
125	I	71.6	Confident	84.4	Confident	34 Å²	34	60.5 Å²	60.5	17%	0.174	33%	0.327	C	S	.	.			trans	-75.4	145.9	180	-54.3	167.6	0	0	0	110	Y127 W141 P143 P144 A145	I125-Y127 PolarHBondContact O-N 3.25Å; I125-W141 HydrophobicContact CD1-CH2 3.32Å; I125-W141 HydrophobicContact CD1-CZ2 3.94Å; I125-W141 HydrophobicContact CD1-CZ3 3.91Å; I125-P143 HydrophobicContact CD1-CB 4.21Å; I125-P143 HydrophobicContact CD1-CG 3.72Å; I125-P143 HydrophobicContact CG2-CB 3.7Å; I125-P143 HydrophobicContact CG2-CG 4.21Å; I125-P144 VanDerWaalsContact CG2-O 3.3Å; I125-P144 WeakPolarHBondContact CG2-O 3.45Å; I125-A145 HydrophobicContact CG2-CB 3.92Å
126	S	72.3	Confident	84.5	Confident	80 Å²	80	66.5 Å²	66.5	56%	0.559	35%	0.35	S	S	*	.	S	Bend	trans	-68.7	-32	-173.5	-52.4	0	0	0	0	113.7	I146	S126-I146 PolarHBondContact OG-N 2.85Å
127	Y	81.4	Confident	84.6	Confident	149 Å²	149	63 Å²	63	58%	0.584	33%	0.334	S	S	*	.			trans	-143.1	117.1	178.4	-178.5	-105.9	0	0	0	111.3	I125 C129 P143 P144	I125-Y127 PolarHBondContact O-N 3.25Å; Y127-C129 HydrophobicContact CD1-CB 3.84Å; Y127-C129 HydrophobicContact CE1-CB 3.69Å; Y127-C129 PolarHBondContact O-N 3.19Å; Y127-C129 VanDerWaalsContact O-N 3.09Å; Y127-P143 WeakPolarHBondContact O-CB 3.29Å; Y127-P144 HydrophobicContact CD1-CG 4.24Å
128	S	82	Confident	84.8	Confident	68 Å²	68	64.2 Å²	64.2	48%	0.476	34%	0.338	S	S	.	.			trans	-78.4	88.9	173.5	-60.2	0	0	0	0	109.9	S105	S105-S128 WeakPolarHBondContact OG-CB 3.38Å
129	C	90.5	Very high	85.2	Confident	19 Å²	19	62.9 Å²	62.9	13%	0.128	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-74.6	162.9	176.1	71.4	0	0	0	0	111.8	Y127 W141 L142 P143	Y127-C129 HydrophobicContact CD1-CB 3.84Å; Y127-C129 HydrophobicContact CE1-CB 3.69Å; Y127-C129 PolarHBondContact O-N 3.19Å; Y127-C129 VanDerWaalsContact O-N 3.09Å; C129-W141 PolarHBondContact O-NE1 2.76Å; C129-L142 VanDerWaalsContact SG-C 3.52Å; C129-L142 PolarHBondContact SG-O 2.83Å; C129-L142 VanDerWaalsContact SG-O 3.42Å; C129-P143 VanDerWaalsContact SG-CA 3.58Å
130	N	94.9	Very high	85.8	Confident	92 Å²	92	61.5 Å²	61.5	49%	0.492	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61.2	148.3	171.6	-67.9	-7.8	0	0	0	111	L103	L103-N130 CarbonylContact O-C 3.48Å; L103-N130 VanDerWaalsContact O-CA 3.29Å; L103-N130 WeakPolarHBondContact O-CA 3.42Å; L103-N130 WeakPolarHBondContact O-CB 3.25Å
131	V	95.6	Very high	86.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.4	175.1	-179.7	0	0	0	0	108.4	W83 R102 L103 V108 L110 V133 V139 W141	W83-V131 HydrophobicContact CH2-CG1 4.38Å; R102-V131 WeakPolarHBondContact CA-O 3.34Å; L103-V131 PolarHBondContact N-O 2.88Å; L103-V131 PolarHBondContact O-N 3.29Å; V108-V131 HydrophobicContact CG2-CB 4.38Å; V108-V131 HydrophobicContact CG2-CG1 4.49Å; V108-V131 HydrophobicContact CG2-CG2 3.97Å; L110-V131 HydrophobicContact CD2-CG2 4.4Å; V131-V133 HydrophobicContact CG1-CG2 4.29Å; V131-V139 HydrophobicContact CG1-CG1 3.09Å; V131-W141 HydrophobicContact CG1-CB 4.39Å; V131-W141 HydrophobicContact CG2-CB 4.14Å; V131-W141 VanDerWaalsContact CG2-CD1 3.47Å; V131-W141 HydrophobicContact CG2-CG 3.84Å
132	L	96.1	Very high	87.7	Confident	41 Å²	41	58.1 Å²	58.1	22%	0.215	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123	172	-65.4	169.8	0	0	0	108.4	V100 R102 V139 Y140	V100-L132 HydrophobicContact CG1-CB 4.34Å; V100-L132 HydrophobicContact CG1-CD2 3.82Å; R102-L132 HydrophobicContact CG-CD2 3.36Å; L132-V139 CarbonylContact O-C 3.52Å; L132-V139 WeakPolarHBondContact O-CA 3.47Å; L132-Y140 HydrophobicContact CB-CD1 4.42Å; L132-Y140 HydrophobicContact CD1-CD1 3.87Å; L132-Y140 HydrophobicContact CD1-CE1 4.4Å; L132-Y140 PolarHBondContact N-O 2.89Å; L132-Y140 PolarHBondContact O-N 3.15Å
133	V	96.4	Very high	88.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.5	175.3	-174	0	0	0	0	108.1	L88 W90 V100 L101 L103 V131 V139	L88-V133 HydrophobicContact CB-CG1 3.91Å; L88-V133 HydrophobicContact CD1-CG1 4.27Å; L88-V133 HydrophobicContact CD1-CG2 4.28Å; W90-V133 HydrophobicContact CH2-CB 4.35Å; W90-V133 HydrophobicContact CH2-CG1 4.06Å; W90-V133 WeakPolarHBondContact CH2-O 3.33Å; W90-V133 HydrophobicContact CZ3-CB 4.39Å; W90-V133 HydrophobicContact CZ3-CG1 3.7Å; V100-V133 CarbonylContact C-O 3.54Å; V100-V133 WeakPolarHBondContact CA-O 3.48Å; L101-V133 PolarHBondContact N-O 3Å; L101-V133 PolarHBondContact O-N 2.95Å; L103-V133 HydrophobicContact CD1-CG2 3.93Å; V131-V133 HydrophobicContact CG1-CG2 4.29Å; V133-V139 HydrophobicContact CG1-CG2 4.36Å; V133-V139 HydrophobicContact CG2-CG1 4.27Å; V133-V139 HydrophobicContact CG2-CG2 4.37Å
134	Y	95.9	Very high	89.8	Confident	70 Å²	70	52.6 Å²	52.6	28%	0.275	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	156.9	174.7	-67.5	-93.4	0	0	0	111	W90 S99 V100 Y136 G137 F138	W90-Y134 VanDerWaalsContact CH2-C 3.47Å; S99-Y134 WeakPolarHBondContact O-CA 3.45Å; V100-Y134 HydrophobicContact CG2-CD1 3.62Å; V100-Y134 HydrophobicContact CG2-CE1 3.47Å; V100-Y134 VanDerWaalsContact CG2-CE1 3.47Å; Y134-Y136 VanDerWaalsContact C-N 3.26Å; Y134-Y136 AromaticContact CD1-CE1 4Å; Y134-Y136 HydrophobicContact CD1-CE1 4Å; Y134-Y136 AromaticContact CG-CE1 3.82Å; Y134-Y136 HydrophobicContact CG-CE1 3.82Å; Y134-Y136 PolarHBondContact O-N 2.73Å; Y134-G137 WeakPolarHBondContact O-CA 3.43Å; Y134-G137 PolarHBondContact O-N 2.84Å; Y134-F138 HydrophobicContact CD2-CB 4.35Å; Y134-F138 AromaticContact CD2-CD1 3.77Å; Y134-F138 HydrophobicContact CD2-CD1 3.77Å; Y134-F138 WeakPolarHBondContact CD2-O 3.31Å; Y134-F138 HydrophobicContact CE2-CD1 4Å; Y134-F138 PolarHBondContact N-O 3.47Å
135	D	94	Very high	91	Very high	50 Å²	50	44.2 Å²	44.2	27%	0.267	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.3	-178.6	63.2	-57.9	0	0	0	113.7	K89 W90 A92 S99 G137	K89-D135 WeakPolarHBondContact CA-O 3.41Å; W90-D135 HydrophobicContact CD2-CB 4.35Å; W90-D135 HydrophobicContact CZ2-CB 4.03Å; W90-D135 PolarHBondContact N-O 2.88Å; W90-D135 VanDerWaalsContact N-O 3.11Å; A92-D135 HydrophobicContact CB-CB 4.43Å; S99-D135 PolarHBondContact O-N 2.89Å; S99-D135 VanDerWaalsContact O-N 3.14Å; D135-G137 PolarHBondContact O-N 2.92Å
136	Y	93	Very high	92	Very high	129 Å²	129	46.6 Å²	46.6	51%	0.506	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	10.5	174.4	63.6	-85.6	0	0	0	113.9	K89 Y134 F138	K89-Y136 WeakPolarHBondContact CE-O 3.27Å; Y134-Y136 VanDerWaalsContact C-N 3.26Å; Y134-Y136 AromaticContact CD1-CE1 4Å; Y134-Y136 HydrophobicContact CD1-CE1 4Å; Y134-Y136 AromaticContact CG-CE1 3.82Å; Y134-Y136 HydrophobicContact CG-CE1 3.82Å; Y134-Y136 PolarHBondContact O-N 2.73Å; Y136-F138 HydrophobicContact CD2-CB 3.84Å; Y136-F138 HydrophobicContact CE2-CB 3.17Å; Y136-F138 HydrophobicContact CE2-CG 4.07Å
137	G	92.5	Very high	92.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	83.4	7.6	171.2	0	0	0	0	0	115.2	T84 D85 Y134 D135	T84-G137 CarbonylContact C-O 3.58Å; T84-G137 WeakPolarHBondContact CA-O 3.29Å; D85-G137 PolarHBondContact N-O 2.93Å; Y134-G137 WeakPolarHBondContact O-CA 3.43Å; Y134-G137 PolarHBondContact O-N 2.84Å; D135-G137 PolarHBondContact O-N 2.92Å
138	F	95.5	Very high	93.5	Very high	56 Å²	56	41.8 Å²	41.8	25%	0.246	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.8	170.9	-177.3	-105.6	0	0	0	110.3	W83 Y134 Y136 Y140	W83-F138 WeakPolarHBondContact O-CD2 3.42Å; Y134-F138 HydrophobicContact CD2-CB 4.35Å; Y134-F138 AromaticContact CD2-CD1 3.77Å; Y134-F138 HydrophobicContact CD2-CD1 3.77Å; Y134-F138 WeakPolarHBondContact CD2-O 3.31Å; Y134-F138 HydrophobicContact CE2-CD1 4Å; Y134-F138 PolarHBondContact N-O 3.47Å; Y136-F138 HydrophobicContact CD2-CB 3.84Å; Y136-F138 HydrophobicContact CE2-CB 3.17Å; Y136-F138 HydrophobicContact CE2-CG 4.07Å; F138-Y140 HydrophobicContact CE1-CD2 4.42Å
139	V	96.4	Very high	94.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.2	-174.1	-172.3	0	0	0	0	108.1	G82 W83 D85 L88 V131 L132 V133	G82-V139 WeakPolarHBondContact CA-O 3.12Å; W83-V139 HydrophobicContact CD2-CB 3.87Å; W83-V139 HydrophobicContact CD2-CG1 4.15Å; W83-V139 HydrophobicContact CE3-CB 4.32Å; W83-V139 HydrophobicContact CE3-CG1 4.34Å; W83-V139 HydrophobicContact CG-CB 4.33Å; W83-V139 HydrophobicContact CH2-CB 4.28Å; W83-V139 HydrophobicContact CH2-CG1 3.49Å; W83-V139 VanDerWaalsContact CH2-CG1 3.49Å; W83-V139 HydrophobicContact CZ2-CB 3.84Å; W83-V139 HydrophobicContact CZ2-CG1 3.22Å; W83-V139 HydrophobicContact CZ3-CB 4.49Å; W83-V139 HydrophobicContact CZ3-CG1 4.03Å; W83-V139 PolarHBondContact N-O 2.65Å; W83-V139 VanDerWaalsContact N-O 3.07Å; W83-V139 PolarHBondContact O-N 3.22Å; D85-V139 HydrophobicContact CB-CG2 4.05Å; L88-V139 HydrophobicContact CD1-CG2 4.33Å; V131-V139 HydrophobicContact CG1-CG1 3.09Å; L132-V139 CarbonylContact O-C 3.52Å; L132-V139 WeakPolarHBondContact O-CA 3.47Å; V133-V139 HydrophobicContact CG1-CG2 4.36Å; V133-V139 HydrophobicContact CG2-CG1 4.27Å; V133-V139 HydrophobicContact CG2-CG2 4.37Å
140	Y	96.1	Very high	94.2	Very high	51 Å²	51	39.8 Å²	39.8	20%	0.2	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.1	-177.3	178.6	-86.5	0	0	0	110.1	E80 H81 L132 F138 L142	E80-Y140 VanDerWaalsContact CD-CE2 3.46Å; E80-Y140 HydrophobicContact CG-CD2 4.23Å; E80-Y140 HydrophobicContact CG-CE2 3.45Å; E80-Y140 VanDerWaalsContact CG-CE2 3.45Å; E80-Y140 VanDerWaalsContact OE1-CE2 3.24Å; E80-Y140 WeakPolarHBondContact OE1-CE2 3.28Å; H81-Y140 WeakPolarHBondContact O-CA 3.27Å; L132-Y140 HydrophobicContact CB-CD1 4.42Å; L132-Y140 HydrophobicContact CD1-CD1 3.87Å; L132-Y140 HydrophobicContact CD1-CE1 4.4Å; L132-Y140 PolarHBondContact N-O 2.89Å; L132-Y140 PolarHBondContact O-N 3.15Å; F138-Y140 HydrophobicContact CE1-CD2 4.42Å; Y140-L142 HydrophobicContact CE1-CB 3.75Å; Y140-L142 HydrophobicContact CE1-CD2 4.38Å
141	W	95.3	Very high	94.1	Very high	13 Å²	13	35.4 Å²	35.4	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.5	-178.7	-175.1	47.5	0	0	0	110.6	H81 W83 L110 I125 C129 V131 P143	H81-W141 HydrophobicContact CB-CB 4.3Å; H81-W141 HydrophobicContact CB-CE3 4.22Å; H81-W141 AromaticContact CE1-CE3 3.73Å; H81-W141 AromaticContact CE1-CZ3 3.77Å; H81-W141 AromaticContact CG-CE3 3.76Å; H81-W141 PolarHBondContact N-O 3.41Å; H81-W141 AromaticContact ND1-CE3 3.44Å; H81-W141 AromaticContact ND1-CZ3 3.97Å; H81-W141 PolarHBondContact O-N 3Å; W83-W141 HydrophobicContact CH2-CB 3.99Å; W83-W141 HydrophobicContact CZ3-CB 3.81Å; L110-W141 HydrophobicContact CD1-CH2 4.21Å; L110-W141 HydrophobicContact CD1-CZ2 4.38Å; L110-W141 HydrophobicContact CD2-CD2 4.28Å; L110-W141 HydrophobicContact CD2-CE3 4.17Å; L110-W141 HydrophobicContact CD2-CZ3 4.32Å; I125-W141 HydrophobicContact CD1-CH2 3.32Å; I125-W141 HydrophobicContact CD1-CZ2 3.94Å; I125-W141 HydrophobicContact CD1-CZ3 3.91Å; C129-W141 PolarHBondContact O-NE1 2.76Å; V131-W141 HydrophobicContact CG1-CB 4.39Å; V131-W141 HydrophobicContact CG2-CB 4.14Å; V131-W141 VanDerWaalsContact CG2-CD1 3.47Å; V131-W141 HydrophobicContact CG2-CG 3.84Å; W141-P143 VanDerWaalsContact C-CD 3.4Å; W141-P143 HydrophobicContact CD2-CG 3.77Å; W141-P143 HydrophobicContact CE3-CG 4.02Å; W141-P143 HydrophobicContact CG-CG 4.4Å; W141-P143 HydrophobicContact CH2-CG 4Å; W141-P143 HydrophobicContact CZ2-CB 3.94Å; W141-P143 HydrophobicContact CZ2-CG 3.71Å; W141-P143 HydrophobicContact CZ3-CG 4.12Å; W141-P143 WeakPolarHBondContact O-CD 3.25Å
142	L	94.3	Very high	93.9	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.215	19%	0.192	C	C	.	.			trans	-127.6	65.7	-174.6	-172.2	70.9	0	0	0	111.5	W78 I79 E80 C129 Y140	W78-L142 HydrophobicContact CB-CD1 4.05Å; W78-L142 HydrophobicContact CB-CG 4.34Å; W78-L142 HydrophobicContact CE3-CD2 3.56Å; W78-L142 HydrophobicContact CE3-CG 3.84Å; W78-L142 HydrophobicContact CZ3-CD2 4.01Å; I79-L142 WeakPolarHBondContact O-CA 3.45Å; E80-L142 HydrophobicContact CB-CD1 3.74Å; E80-L142 HydrophobicContact CG-CD1 4.19Å; C129-L142 VanDerWaalsContact SG-C 3.52Å; C129-L142 PolarHBondContact SG-O 2.83Å; C129-L142 VanDerWaalsContact SG-O 3.42Å; Y140-L142 HydrophobicContact CE1-CB 3.75Å; Y140-L142 HydrophobicContact CE1-CD2 4.38Å
143	P	93.8	Very high	93.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.			trans	-76.2	136.3	179.7	33.8	-40.6	0	0	0	111.5	I79 I125 Y127 C129 W141	I79-P143 PolarHBondContact N-O 2.85Å; I79-P143 VanDerWaalsContact O-CD 3.25Å; I79-P143 WeakPolarHBondContact O-CD 3.39Å; I125-P143 HydrophobicContact CD1-CB 4.21Å; I125-P143 HydrophobicContact CD1-CG 3.72Å; I125-P143 HydrophobicContact CG2-CB 3.7Å; I125-P143 HydrophobicContact CG2-CG 4.21Å; Y127-P143 WeakPolarHBondContact O-CB 3.29Å; C129-P143 VanDerWaalsContact SG-CA 3.58Å; W141-P143 VanDerWaalsContact C-CD 3.4Å; W141-P143 HydrophobicContact CD2-CG 3.77Å; W141-P143 HydrophobicContact CE3-CG 4.02Å; W141-P143 HydrophobicContact CG-CG 4.4Å; W141-P143 HydrophobicContact CH2-CG 4Å; W141-P143 HydrophobicContact CZ2-CB 3.94Å; W141-P143 HydrophobicContact CZ2-CG 3.71Å; W141-P143 HydrophobicContact CZ3-CG 4.12Å; W141-P143 WeakPolarHBondContact O-CD 3.25Å
144	P	92.9	Very high	93.4	Very high	33 Å²	33	41.4 Å²	41.4	21%	0.214	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.4	172.1	32.6	-32.7	0	0	0	110.8	W78 I125 Y127	W78-P144 HydrophobicContact CD2-CB 4.5Å; W78-P144 HydrophobicContact CG-CB 4.42Å; I125-P144 VanDerWaalsContact CG2-O 3.3Å; I125-P144 WeakPolarHBondContact CG2-O 3.45Å; Y127-P144 HydrophobicContact CD1-CG 4.24Å
145	A	91.1	Very high	93.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	139	-177.3	0	0	0	0	0	111.5	V77 I79 I125 F147	V77-A145 HydrophobicContact CG2-CB 4.36Å; V77-A145 PolarHBondContact N-O 2.83Å; V77-A145 PolarHBondContact O-N 2.87Å; V77-A145 VanDerWaalsContact O-O 3.11Å; I79-A145 HydrophobicContact CD1-CB 4.46Å; I125-A145 HydrophobicContact CG2-CB 3.92Å; A145-F147 HydrophobicContact CB-CD2 4.08Å; A145-F147 HydrophobicContact CB-CE1 4.1Å; A145-F147 HydrophobicContact CB-CE2 3.5Å; A145-F147 VanDerWaalsContact CB-CE2 3.5Å; A145-F147 HydrophobicContact CB-CZ 3.5Å; A145-F147 VanDerWaalsContact CB-CZ 3.5Å
146	I	91.9	Very high	92.9	Very high	85 Å²	85	37.7 Å²	37.7	44%	0.436	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	107.8	165.4	-59.2	174.1	0	0	0	107.6	I64 T74 T75 S126	I64-I146 HydrophobicContact CD1-CG2 4.22Å; T74-I146 HydrophobicContact CG2-CG2 3.96Å; T75-I146 WeakPolarHBondContact O-CA 3.47Å; S126-I146 PolarHBondContact OG-N 2.85Å
147	F	92.1	Very high	92.8	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.053	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	144.6	178.5	-73.2	-53.1	0	0	0	112.3	T74 T75 V77 I79 L115 A145 L167 F169	T74-F147 VanDerWaalsContact CA-O 3.29Å; T74-F147 WeakPolarHBondContact CA-O 3.49Å; T75-F147 PolarHBondContact N-O 3.3Å; T75-F147 PolarHBondContact O-N 2.94Å; V77-F147 HydrophobicContact CG2-CD2 3.38Å; V77-F147 HydrophobicContact CG2-CE2 3.57Å; I79-F147 HydrophobicContact CD1-CE2 3.31Å; I79-F147 HydrophobicContact CD1-CZ 3.37Å; I79-F147 HydrophobicContact CG1-CE2 3.92Å; I79-F147 HydrophobicContact CG1-CZ 4.44Å; L115-F147 HydrophobicContact CB-CD1 4Å; L115-F147 HydrophobicContact CB-CE1 4.05Å; L115-F147 HydrophobicContact CD2-CB 3.82Å; L115-F147 HydrophobicContact CD2-CD1 3.76Å; L115-F147 HydrophobicContact CD2-CG 3.88Å; L115-F147 HydrophobicContact CG-CD1 4.49Å; A145-F147 HydrophobicContact CB-CD2 4.08Å; A145-F147 HydrophobicContact CB-CE1 4.1Å; A145-F147 HydrophobicContact CB-CE2 3.5Å; A145-F147 VanDerWaalsContact CB-CE2 3.5Å; A145-F147 HydrophobicContact CB-CZ 3.5Å; A145-F147 VanDerWaalsContact CB-CZ 3.5Å; F147-L167 HydrophobicContact CB-CD2 4.25Å; F147-L167 HydrophobicContact CD2-CD2 4.36Å; F147-F169 HydrophobicContact CD2-CE1 4.32Å; F147-F169 HydrophobicContact CD2-CZ 4.03Å; F147-F169 AromaticContact CE2-CE1 3.65Å; F147-F169 HydrophobicContact CE2-CE1 3.65Å; F147-F169 AromaticContact CE2-CZ 3.65Å; F147-F169 HydrophobicContact CE2-CZ 3.65Å; F147-F169 AromaticContact CZ-CE1 3.78Å; F147-F169 HydrophobicContact CZ-CE1 3.78Å; F147-F169 HydrophobicContact CZ-CZ 4.27Å
148	R	93.1	Very high	92.6	Very high	116 Å²	116	35.6 Å²	35.6	44%	0.438	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	90.3	169.3	-72.9	170	-175.7	139	6	108.6	L73 T74 N118 N119 D120	L73-R148 CarbonylContact O-C 3.38Å; L73-R148 VanDerWaalsContact O-CA 3.29Å; L73-R148 WeakPolarHBondContact O-CA 3.4Å; T74-R148 HydrophobicContact CG2-CG 4.1Å; N118-R148 WeakPolarHBondContact CA-O 3.04Å; N119-R148 PolarHBondContact N-O 2.97Å; N119-R148 VanDerWaalsContact N-O 3.08Å; D120-R148 WeakPolarHBondContact OD1-CD 3.47Å; D120-R148 WeakPolarHBondContact OD2-CD 3.18Å; D120-R148 IonicContact OD2-CZ 2.89Å; D120-R148 IonicContact OD2-NE 2.79Å; D120-R148 IonicContact OD2-NH1 2.68Å; D120-R148 PolarHBondContact OD2-NH1 3Å
149	S	94.2	Very high	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.5	179.2	55.8	0	0	0	0	110.7	L73 N117 C151	L73-S149 WeakPolarHBondContact CB-OG 3.45Å; L73-S149 PolarHBondContact N-O 3.01Å; L73-S149 PolarHBondContact O-N 3.44Å; L73-S149 PolarHBondContact O-OG 3.23Å; N117-S149 CarbonylContact O-C 3.54Å; N117-S149 VanDerWaalsContact O-CA 3.3Å; N117-S149 WeakPolarHBondContact O-CA 3.32Å; S149-C151 PolarHBondContact O-N 2.81Å
150	S	93.1	Very high	92.2	Very high	45 Å²	45	34.7 Å²	34.7	32%	0.315	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124	166.2	-179.5	0	0	0	0	109.3	N117	N117-S150 PolarHBondContact ND2-O 2.82Å; N117-S150 PolarHBondContact O-N 3.05Å
151	C	93.7	Very high	92.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.			trans	-134.5	111.6	177	174.8	0	0	0	0	109	L66 E71 L73 S149 C165	L66-C151 HydrophobicContact CD1-CB 4.36Å; E71-C151 PolarHBondContact O-N 3.34Å; L73-C151 HydrophobicContact CB-CB 4.32Å; S149-C151 PolarHBondContact O-N 2.81Å; C151-C165 HydrophobicContact CB-CB 3.68Å; C151-C165 WeakPolarHBondContact CB-SG 3.46Å; C151-C165 WeakPolarHBondContact SG-CA 3.38Å; C151-C165 WeakPolarHBondContact SG-CB 3.32Å; C151-C165 CovalentContact SG-SG 2.04Å; C151-C165 PolarHBondContact SG-SG 3.2Å
152	P	90.8	Very high	92	Very high	90 Å²	90	35.4 Å²	35.4	58%	0.584	18%	0.183	S	C	*	.			trans	-67.7	135.1	178.8	28.3	-33.6	0	0	0	110.4
153	I	91.3	Very high	92.1	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.072	17%	0.173	C	C	.	.			trans	-96.6	123.4	-173.1	-55.7	-60.4	0	0	0	111	L66 E68 E71 V155 Q163	L66-I153 HydrophobicContact CD1-CD1 3.95Å; L66-I153 HydrophobicContact CD2-CD1 3.65Å; L66-I153 HydrophobicContact CG-CD1 3.93Å; E68-I153 HydrophobicContact CB-CG1 4.31Å; E68-I153 HydrophobicContact CB-CG2 4.43Å; E68-I153 HydrophobicContact CG-CG2 4.27Å; E71-I153 HydrophobicContact CG-CG1 4.23Å; I153-V155 HydrophobicContact CG2-CG1 3.93Å; I153-V155 PolarHBondContact O-N 3.43Å; I153-Q163 HydrophobicContact CD1-CG 4.47Å
154	S	90.3	Very high	92.2	Very high	63 Å²	63	36.8 Å²	36.8	44%	0.441	19%	0.19	S	C	.	.			trans	-81	100	169.4	-174.2	0	0	0	0	110.1	T156 Q163	S154-T156 VanDerWaalsContact C-N 3.34Å; S154-Q163 PolarHBondContact O-NE2 2.95Å
155	V	89.8	Confident	92.3	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.036	18%	0.18	C	C	.	.			trans	-83.8	-6	-176.9	-61.5	0	0	0	0	114.2	I153 Y157 F158 P300 A305 P307	I153-V155 HydrophobicContact CG2-CG1 3.93Å; I153-V155 PolarHBondContact O-N 3.43Å; V155-Y157 VanDerWaalsContact C-N 3.29Å; V155-Y157 PolarHBondContact O-N 3.43Å; V155-Y157 VanDerWaalsContact O-N 3.14Å; V155-F158 WeakPolarHBondContact O-CB 3.3Å; V155-F158 PolarHBondContact O-N 2.89Å; V155-P300 HydrophobicContact CG1-CG 3.94Å; V155-A305 WeakPolarHBondContact CG2-O 3.41Å; V155-P307 HydrophobicContact CB-CG 4.01Å; V155-P307 HydrophobicContact CG2-CG 4.02Å; V155-P307 VanDerWaalsContact O-CA 3.25Å; V155-P307 WeakPolarHBondContact O-CA 3.39Å; V155-P307 WeakPolarHBondContact O-CB 3.38Å
156	T	89.1	Confident	92.5	Very high	36 Å²	36	36.7 Å²	36.7	22%	0.221	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-42	-169.1	-49.4	0	0	0	0	113.9	S154 L308	S154-T156 VanDerWaalsContact C-N 3.34Å; T156-L308 PolarHBondContact O-N 3.47Å
157	Y	91.1	Very high	92.7	Very high	80 Å²	80	32.7 Å²	32.7	31%	0.314	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	12.7	-175.3	-66.6	-73.2	0	0	0	114.1	V155 F160 Q491 N495	V155-Y157 VanDerWaalsContact C-N 3.29Å; V155-Y157 PolarHBondContact O-N 3.43Å; V155-Y157 VanDerWaalsContact O-N 3.14Å; Y157-F160 CarbonylContact O-C 3.55Å; Y157-F160 WeakPolarHBondContact O-CA 3.49Å; Y157-F160 PolarHBondContact O-N 2.84Å; Y157-Q491 HydrophobicContact CE1-CB 4.45Å; Y157-N495 WeakPolarHBondContact CB-ND2 3.5Å; Y157-N495 HydrophobicContact CD1-CB 3.96Å; Y157-N495 HydrophobicContact CD2-CB 3.99Å; Y157-N495 WeakPolarHBondContact CD2-OD1 3.25Å; Y157-N495 HydrophobicContact CE1-CB 4.47Å; Y157-N495 HydrophobicContact CE2-CB 4.48Å; Y157-N495 HydrophobicContact CG-CB 3.7Å
158	F	89.6	Confident	92.7	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.022	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	132.4	178.3	-179.2	-83.9	0	0	0	111.8	V155 Y249 L299 P307 I309	V155-F158 WeakPolarHBondContact O-CB 3.3Å; V155-F158 PolarHBondContact O-N 2.89Å; F158-Y249 HydrophobicContact CE1-CD1 4.06Å; F158-Y249 AromaticContact CE1-CE1 3.96Å; F158-Y249 HydrophobicContact CE1-CE1 3.96Å; F158-Y249 HydrophobicContact CE2-CE1 4.34Å; F158-Y249 AromaticContact CZ-CD1 3.91Å; F158-Y249 HydrophobicContact CZ-CD1 3.91Å; F158-Y249 AromaticContact CZ-CE1 3.38Å; F158-Y249 HydrophobicContact CZ-CE1 3.38Å; F158-Y249 HydrophobicContact CZ-CE2 4.41Å; F158-Y249 AromaticContact CZ-CZ 3.65Å; F158-L299 HydrophobicContact CB-CD2 4.35Å; F158-L299 HydrophobicContact CD1-CD2 3.69Å; F158-L299 HydrophobicContact CD2-CD2 3.96Å; F158-L299 HydrophobicContact CE1-CD2 3.84Å; F158-L299 HydrophobicContact CE1-CG 4.46Å; F158-L299 HydrophobicContact CE2-CD2 4.09Å; F158-L299 HydrophobicContact CG-CD2 3.73Å; F158-L299 HydrophobicContact CZ-CD2 4.02Å; F158-P307 HydrophobicContact CB-CB 4.37Å; F158-I309 HydrophobicContact CD1-CG2 3.87Å; F158-I309 HydrophobicContact CE1-CG2 4.31Å; F158-I309 PolarHBondContact O-N 3.19Å
159	P	90.9	Very high	92.8	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.013	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.6	10.5	7	38.4	-38.3	0	0	0	115.1	D161 R244 P246 Y249	P159-D161 WeakPolarHBondContact CA-OD1 3.41Å; P159-D161 PolarHBondContact O-N 3.23Å; P159-R244 WeakPolarHBondContact O-CD 3.4Å; P159-P246 HydrophobicContact CB-CB 4.4Å; P159-P246 HydrophobicContact CG-CB 4.41Å; P159-Y249 HydrophobicContact CB-CD1 4.38Å; P159-Y249 HydrophobicContact CB-CD2 3.82Å; P159-Y249 HydrophobicContact CB-CG 3.7Å; P159-Y249 HydrophobicContact CG-CG 4.29Å
160	F	91.9	Very high	92.6	Very high	36 Å²	36	29 Å²	29	16%	0.158	16%	0.158	C	C	.	.	S	Bend	trans	-93.1	36.6	175.4	-57.1	-81.4	0	0	0	110.9	Y157 P246 I250 L254 L308 F489 G492 N495	Y157-F160 CarbonylContact O-C 3.55Å; Y157-F160 WeakPolarHBondContact O-CA 3.49Å; Y157-F160 PolarHBondContact O-N 2.84Å; F160-P246 HydrophobicContact CD1-CB 4.04Å; F160-P246 HydrophobicContact CD1-CG 3.86Å; F160-P246 HydrophobicContact CE1-CB 3.95Å; F160-P246 HydrophobicContact CE1-CG 3.74Å; F160-I250 HydrophobicContact CE1-CD1 4.09Å; F160-I250 HydrophobicContact CZ-CD1 4.14Å; F160-I250 HydrophobicContact CZ-CG1 4.21Å; F160-L254 HydrophobicContact CE2-CD1 4.2Å; F160-L254 HydrophobicContact CZ-CD1 4.26Å; F160-L308 HydrophobicContact CD2-CD2 4.33Å; F160-F489 HydrophobicContact CE2-CD1 4.4Å; F160-G492 VanDerWaalsContact CB-O 3.29Å; F160-G492 WeakPolarHBondContact CB-O 3.29Å; F160-N495 PolarHBondContact O-ND2 2.81Å
161	D	93.1	Very high	92.4	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	14%	0.143	C	C	.	.			trans	-87.4	152.6	-176.1	55.7	-56.2	0	0	0	112.3	P159 Q163 R244	P159-D161 WeakPolarHBondContact CA-OD1 3.41Å; P159-D161 PolarHBondContact O-N 3.23Å; D161-Q163 PolarHBondContact OD2-NE2 3.27Å; D161-R244 PolarHBondContact O-N 3.18Å; D161-R244 VanDerWaalsContact O-N 3.08Å; D161-R244 IonicContact OD1-CZ 3.79Å; D161-R244 IonicContact OD1-NE 3.4Å; D161-R244 PolarHBondContact OD1-NE 2.95Å; D161-R244 IonicContact OD1-NH2 2.79Å; D161-R244 IonicContact OD2-CZ 2.68Å; D161-R244 IonicContact OD2-NE 3.54Å; D161-R244 PolarHBondContact OD2-NE 3.18Å; D161-R244 IonicContact OD2-NH2 3.7Å; D161-R244 PolarHBondContact OD2-NH2 3.39Å
162	W	94.8	Very high	91.9	Very high	75 Å²	75	31.8 Å²	31.8	28%	0.284	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.4	163.3	57.3	-93.8	0	0	0	107.4	N164 I241 I242 N495 P497	W162-N164 HydrophobicContact CZ3-CB 4.32Å; W162-I241 HydrophobicContact CE3-CG2 4.36Å; W162-I242 CarbonylContact C-O 3.53Å; W162-I242 WeakPolarHBondContact CA-O 3.43Å; W162-N495 VanDerWaalsContact CD1-ND2 3.32Å; W162-N495 PolarHBondContact NE1-OD1 3.28Å; W162-P497 HydrophobicContact CB-CB 4.22Å; W162-P497 HydrophobicContact CD2-CB 4.31Å; W162-P497 HydrophobicContact CG-CB 4.04Å
163	Q	95.4	Very high	91.6	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.6	-176.5	-55.6	-58	-23	0	0	109.1	L66 I153 S154 D161 W211 I241 I242	L66-Q163 HydrophobicContact CD2-CB 4.22Å; L66-Q163 HydrophobicContact CD2-CG 3.87Å; I153-Q163 HydrophobicContact CD1-CG 4.47Å; S154-Q163 PolarHBondContact O-NE2 2.95Å; D161-Q163 PolarHBondContact OD2-NE2 3.27Å; Q163-W211 HydrophobicContact CB-CZ3 4.45Å; Q163-W211 HydrophobicContact CG-CH2 3.66Å; Q163-W211 HydrophobicContact CG-CZ3 3.79Å; Q163-I241 WeakPolarHBondContact O-CA 3.45Å; Q163-I242 HydrophobicContact CB-CD1 4.49Å; Q163-I242 HydrophobicContact CB-CG1 3.99Å; Q163-I242 PolarHBondContact N-O 3.11Å; Q163-I242 PolarHBondContact O-N 2.77Å
164	N	95.2	Very high	91.5	Very high	68 Å²	68	34.3 Å²	34.3	36%	0.364	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	94.5	173.9	-178	3.4	0	0	0	107.9	W162 I241	W162-N164 HydrophobicContact CZ3-CB 4.32Å; N164-I241 HydrophobicContact CB-CG1 4.42Å
165	C	96.1	Very high	91.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.5	179.4	-64.5	0	0	0	0	110.6	L73 C151 Y239 L240	L73-C165 HydrophobicContact CD2-CB 3.57Å; C151-C165 HydrophobicContact CB-CB 3.68Å; C151-C165 WeakPolarHBondContact CB-SG 3.46Å; C151-C165 WeakPolarHBondContact SG-CA 3.38Å; C151-C165 WeakPolarHBondContact SG-CB 3.32Å; C151-C165 CovalentContact SG-SG 2.04Å; C151-C165 PolarHBondContact SG-SG 3.2Å; C165-Y239 CarbonylContact O-C 3.46Å; C165-Y239 WeakPolarHBondContact O-CA 3.36Å; C165-L240 PolarHBondContact N-O 2.79Å; C165-L240 PolarHBondContact O-N 2.66Å
166	S	95.6	Very high	91.2	Very high	33 Å²	33	32.9 Å²	32.9	23%	0.231	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.8	178.9	54.7	0	0	0	0	111.2	N117 F238	N117-S166 PolarHBondContact ND2-O 3.4Å; S166-F238 CarbonylContact C-O 3.57Å; S166-F238 WeakPolarHBondContact CA-O 3.35Å
167	L	94.9	Very high	91.1	Very high	1 Å²	1	36 Å²	36	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	107.7	161.6	-60.7	105.9	0	0	0	107.7	L58 L115 F147 F169 T237 F238 L240	L58-L167 HydrophobicContact CD2-CD1 4.43Å; L115-L167 HydrophobicContact CD1-CB 3.89Å; L115-L167 HydrophobicContact CD1-CD2 4.37Å; F147-L167 HydrophobicContact CB-CD2 4.25Å; F147-L167 HydrophobicContact CD2-CD2 4.36Å; L167-F169 HydrophobicContact CB-CE2 3.83Å; L167-F169 HydrophobicContact CB-CZ 4.37Å; L167-T237 WeakPolarHBondContact O-CA 3.2Å; L167-F238 HydrophobicContact CB-CB 4.44Å; L167-F238 PolarHBondContact N-O 2.79Å; L167-F238 PolarHBondContact O-N 3.42Å; L167-L240 HydrophobicContact CD1-CD1 3.93Å; L167-L240 HydrophobicContact CD1-CG 4.46Å
168	K	93.7	Very high	91.1	Very high	46 Å²	46	35.5 Å²	35.5	20%	0.2	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.8	-177	-174.2	-175.6	-177.2	-157.6	0	109.9	L115 E116 N117 D235	L115-K168 WeakPolarHBondContact CA-O 3.45Å; E116-K168 HydrophobicContact CB-CD 4.29Å; E116-K168 HydrophobicContact CB-CG 4.43Å; E116-K168 PolarHBondContact N-O 2.92Å; E116-K168 IonicContact OE1-NZ 3.82Å; E116-K168 PolarHBondContact OE1-NZ 3.42Å; E116-K168 WeakPolarHBondContact OE2-CE 3.4Å; E116-K168 IonicContact OE2-NZ 3.88Å; E116-K168 PolarHBondContact OE2-NZ 3.09Å; N117-K168 HydrophobicContact CB-CB 4.47Å; N117-K168 WeakPolarHBondContact OD1-CB 3.49Å; N117-K168 PolarHBondContact OD1-N 3.19Å; K168-D235 HydrophobicContact CD-CB 4.4Å; K168-D235 VanDerWaalsContact CE-CB 3.49Å; K168-D235 WeakPolarHBondContact CE-OD1 3.24Å; K168-D235 HydrophobicContact CG-CB 3.94Å
169	F	93.3	Very high	91.2	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.8	176.5	-66.7	-79.6	0	0	0	111.2	L58 I79 I113 V114 L115 F147 L167 D235 V236 F238	L58-F169 HydrophobicContact CD1-CE2 4.19Å; L58-F169 HydrophobicContact CD1-CZ 4.19Å; L58-F169 HydrophobicContact CD2-CE2 4.4Å; I79-F169 HydrophobicContact CD1-CE1 3.78Å; I79-F169 HydrophobicContact CD1-CZ 4.16Å; I79-F169 HydrophobicContact CG1-CE1 4.46Å; I79-F169 HydrophobicContact CG1-CZ 4.38Å; I113-F169 HydrophobicContact CG2-CB 3.79Å; I113-F169 HydrophobicContact CG2-CD1 4.12Å; I113-F169 HydrophobicContact CG2-CG 4.35Å; V114-F169 WeakPolarHBondContact O-CA 3.41Å; L115-F169 HydrophobicContact CB-CE1 4.2Å; L115-F169 HydrophobicContact CD1-CE1 4.21Å; L115-F169 HydrophobicContact CD1-CZ 4.19Å; F147-F169 HydrophobicContact CD2-CE1 4.32Å; F147-F169 HydrophobicContact CD2-CZ 4.03Å; F147-F169 AromaticContact CE2-CE1 3.65Å; F147-F169 HydrophobicContact CE2-CE1 3.65Å; F147-F169 AromaticContact CE2-CZ 3.65Å; F147-F169 HydrophobicContact CE2-CZ 3.65Å; F147-F169 AromaticContact CZ-CE1 3.78Å; F147-F169 HydrophobicContact CZ-CE1 3.78Å; F147-F169 HydrophobicContact CZ-CZ 4.27Å; L167-F169 HydrophobicContact CB-CE2 3.83Å; L167-F169 HydrophobicContact CB-CZ 4.37Å; F169-D235 WeakPolarHBondContact O-CA 3.42Å; F169-V236 PolarHBondContact N-O 3.47Å; F169-V236 PolarHBondContact O-N 2.74Å; F169-F238 AromaticContact CD2-CD2 3.55Å; F169-F238 HydrophobicContact CD2-CD2 3.55Å; F169-F238 AromaticContact CD2-CE2 3.67Å; F169-F238 HydrophobicContact CD2-CE2 3.67Å; F169-F238 AromaticContact CE2-CD2 3.63Å; F169-F238 HydrophobicContact CE2-CD2 3.63Å; F169-F238 AromaticContact CE2-CE2 3.96Å; F169-F238 HydrophobicContact CE2-CE2 3.96Å
170	S	90.7	Very high	91.3	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	163.2	176	61.6	0	0	0	0	110.6	V114 E116	V114-S170 WeakPolarHBondContact CG2-O 3.2Å; V114-S170 PolarHBondContact N-O 2.67Å; V114-S170 PolarHBondContact O-N 3.15Å; E116-S170 PolarHBondContact OE2-OG 3.32Å
171	S	88.9	Confident	91.3	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.7	173.2	54.3	0	0	0	0	110	Y174 I179 P231	S171-Y174 PolarHBondContact OG-O 3.31Å; S171-I179 VanDerWaalsContact CB-CD1 3.43Å; S171-I179 VanDerWaalsContact OG-CD1 3.32Å; S171-I179 WeakPolarHBondContact OG-CD1 3.37Å; S171-P231 WeakPolarHBondContact O-CB 3.4Å
172	L	82.3	Confident	91.3	Very high	102 Å²	102	36.9 Å²	36.9	53%	0.534	18%	0.182	S	C	.	.	S	Bend	trans	-85.1	-23.8	174.4	-68.2	178.9	0	0	0	113	V114	V114-L172 HydrophobicContact CG2-CB 4.47Å; V114-L172 HydrophobicContact CG2-CD1 3.62Å; V114-L172 HydrophobicContact CG2-CG 3.56Å
173	K	85.8	Confident	91.3	Very high	123 Å²	123	33.8 Å²	33.8	54%	0.535	17%	0.172	S	C	.	.	S	Bend	trans	-87.6	-33.7	-178	-75.9	-165.8	172.6	172.2	0	114.1	E112	E112-K173 HydrophobicContact CB-CD 4.37Å; E112-K173 HydrophobicContact CG-CD 4.45Å; E112-K173 IonicContact OE1-NZ 3.54Å; E112-K173 PolarHBondContact OE1-NZ 2.96Å; E112-K173 WeakPolarHBondContact OE2-CD 3.35Å; E112-K173 WeakPolarHBondContact OE2-CE 3.47Å; E112-K173 IonicContact OE2-NZ 2.84Å; E112-K173 PolarHBondContact OE2-NZ 3.24Å
174	Y	88.5	Confident	91.2	Very high	34 Å²	34	35.8 Å²	35.8	13%	0.133	18%	0.18	C	C	.	.	S	Bend	trans	-116.8	149.1	-172.6	-61.5	-70.7	0	0	0	111.3	W109 S171 E178 I179	W109-Y174 AromaticContact CE2-CZ 3.95Å; W109-Y174 HydrophobicContact CZ2-CD2 4.32Å; W109-Y174 HydrophobicContact CZ2-CE1 4.45Å; W109-Y174 AromaticContact CZ2-CE2 3.74Å; W109-Y174 HydrophobicContact CZ2-CE2 3.74Å; W109-Y174 AromaticContact CZ2-CZ 3.83Å; W109-Y174 AromaticContact NE1-CZ 3.5Å; W109-Y174 PolarHBondContact NE1-OH 2.84Å; S171-Y174 PolarHBondContact OG-O 3.31Å; Y174-E178 WeakPolarHBondContact CA-OE2 3.49Å; Y174-E178 HydrophobicContact CD1-CB 4.37Å; Y174-E178 WeakPolarHBondContact CD1-OE2 3.2Å; Y174-I179 HydrophobicContact CD2-CG2 4.27Å; Y174-I179 HydrophobicContact CG-CG2 3.97Å
175	T	88.6	Confident	91	Very high	25 Å²	25	37.7 Å²	37.7	15%	0.153	19%	0.187	C	C	.	.			trans	-96.1	161.8	179.9	-73.1	0	0	0	0	111.4	K177 E178 I179 L228 D229	T175-K177 HydrophobicContact CG2-CB 4.47Å; T175-K177 PolarHBondContact O-N 2.8Å; T175-K177 VanDerWaalsContact O-N 3.08Å; T175-E178 PolarHBondContact N-OE2 3.08Å; T175-E178 WeakPolarHBondContact O-CA 3.16Å; T175-E178 WeakPolarHBondContact O-CB 3.29Å; T175-E178 PolarHBondContact O-N 2.89Å; T175-I179 PolarHBondContact O-N 2.78Å; T175-L228 WeakPolarHBondContact CG2-O 3.31Å; T175-D229 VanDerWaalsContact CG2-CA 3.43Å; T175-D229 WeakPolarHBondContact CG2-O 3.47Å; T175-D229 PolarHBondContact OG1-O 3.43Å
176	A	86.5	Confident	90.6	Very high	14 Å²	14	40.4 Å²	40.4	12%	0.116	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.4	178.5	0	0	0	0	0	115.4	I179 R233 Q234	A176-I179 CarbonylContact C-O 3.49Å; A176-I179 WeakPolarHBondContact CA-O 3.3Å; A176-R233 HydrophobicContact CB-CB 4.12Å; A176-R233 HydrophobicContact CB-CG 4.32Å; A176-Q234 HydrophobicContact CB-CG 4.14Å
177	K	86.7	Confident	90.1	Very high	102 Å²	102	42.5 Å²	42.5	44%	0.443	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-27.9	169.3	-67.5	-174.4	-175.1	165.5	0	112.8	S51 T175 L228 D229	S51-K177 WeakPolarHBondContact CB-O 3.45Å; T175-K177 HydrophobicContact CG2-CB 4.47Å; T175-K177 PolarHBondContact O-N 2.8Å; T175-K177 VanDerWaalsContact O-N 3.08Å; K177-L228 HydrophobicContact CD-CB 4.35Å; K177-L228 VanDerWaalsContact CE-CB 3.46Å; K177-L228 HydrophobicContact CG-CB 4.01Å; K177-L228 HydrophobicContact CG-CD2 4.16Å; K177-D229 VanDerWaalsContact CD-OD1 3.3Å; K177-D229 WeakPolarHBondContact CD-OD1 3.49Å; K177-D229 WeakPolarHBondContact CE-OD1 3.44Å; K177-D229 IonicContact NZ-OD1 2.8Å; K177-D229 PolarHBondContact NZ-OD1 3.44Å; K177-D229 IonicContact NZ-OD2 3.52Å; K177-D229 PolarHBondContact NZ-OD2 2.89Å
178	E	90.4	Very high	89.5	Confident	70 Å²	70	46.4 Å²	46.4	33%	0.327	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-46	-173.2	-64.1	177.7	141.9	0	0	110.6	R43 S51 V52 Y174 T175	R43-E178 VanDerWaalsContact CZ-O 3.25Å; R43-E178 VanDerWaalsContact NH1-C 3.31Å; R43-E178 PolarHBondContact NH1-O 2.91Å; R43-E178 PolarHBondContact NH2-O 2.74Å; S51-E178 CarbonylContact C-O 3.57Å; S51-E178 VanDerWaalsContact CA-O 3.27Å; S51-E178 WeakPolarHBondContact CA-O 3.47Å; V52-E178 PolarHBondContact N-O 3.02Å; Y174-E178 WeakPolarHBondContact CA-OE2 3.49Å; Y174-E178 HydrophobicContact CD1-CB 4.37Å; Y174-E178 WeakPolarHBondContact CD1-OE2 3.2Å; T175-E178 PolarHBondContact N-OE2 3.08Å; T175-E178 WeakPolarHBondContact O-CA 3.16Å; T175-E178 WeakPolarHBondContact O-CB 3.29Å; T175-E178 PolarHBondContact O-N 2.89Å
179	I	91.6	Very high	88.7	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.8	174.6	70.9	167.9	0	0	0	109.5	V52 W109 I113 S171 Y174 T175 A176 L181 Q234	V52-I179 HydrophobicContact CB-CG2 4.33Å; V52-I179 CarbonylContact O-C 3.57Å; V52-I179 VanDerWaalsContact O-CA 3.26Å; V52-I179 WeakPolarHBondContact O-CA 3.44Å; W109-I179 HydrophobicContact CH2-CG2 4.3Å; W109-I179 HydrophobicContact CZ2-CG2 4.44Å; I113-I179 HydrophobicContact CD1-CD1 4.17Å; S171-I179 VanDerWaalsContact CB-CD1 3.43Å; S171-I179 VanDerWaalsContact OG-CD1 3.32Å; S171-I179 WeakPolarHBondContact OG-CD1 3.37Å; Y174-I179 HydrophobicContact CD2-CG2 4.27Å; Y174-I179 HydrophobicContact CG-CG2 3.97Å; T175-I179 PolarHBondContact O-N 2.78Å; A176-I179 CarbonylContact C-O 3.49Å; A176-I179 WeakPolarHBondContact CA-O 3.3Å; I179-L181 HydrophobicContact CD1-CD2 4.05Å; I179-Q234 PolarHBondContact O-NE2 3.08Å
180	T	92.4	Very high	88.1	Confident	44 Å²	44	61.1 Å²	61.1	27%	0.27	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.5	171	49.7	0	0	0	0	108	V52 D53 V54	V52-T180 PolarHBondContact O-N 2.93Å; D53-T180 WeakPolarHBondContact CA-OG1 2.97Å; D53-T180 PolarHBondContact OD1-OG1 3.16Å; V54-T180 PolarHBondContact N-O 2.86Å
181	L	93	Very high	87.8	Confident	9 Å²	9	68.4 Å²	68.4	5%	0.047	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.1	176.9	-60.7	179.6	0	0	0	109.6	V54 L56 I113 I179 Q234 V236	V54-L181 HydrophobicContact CB-CD2 4.15Å; V54-L181 HydrophobicContact CG1-CD2 4.46Å; L56-L181 HydrophobicContact CD1-CD2 4.2Å; I113-L181 HydrophobicContact CD1-CD2 3.67Å; I179-L181 HydrophobicContact CD1-CD2 4.05Å; L181-Q234 HydrophobicContact CD1-CG 4.14Å; L181-Q234 HydrophobicContact CG-CG 4.23Å; L181-V236 HydrophobicContact CB-CG2 3.7Å; L181-V236 HydrophobicContact CD1-CG2 4.23Å
182	S	93.8	Very high	87.7	Confident	21 Å²	21	71 Å²	71	15%	0.147	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	160.1	177	56.3	0	0	0	0	110.3	D53 V54 A55 L56	D53-S182 WeakPolarHBondContact OD1-CB 3.13Å; D53-S182 PolarHBondContact OD1-OG 3.38Å; D53-S182 PolarHBondContact OD2-OG 3.35Å; V54-S182 PolarHBondContact O-N 3.43Å; A55-S182 CarbonylContact C-O 3.6Å; A55-S182 WeakPolarHBondContact CA-O 3.23Å; L56-S182 PolarHBondContact N-O 2.8Å
183	L	94.4	Very high	88	Confident	11 Å²	11	67.2 Å²	67.2	6%	0.058	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	148.8	169.2	-69.8	166.8	0	0	0	109.1	L56 Q185 P194 E196 A218 V220 V236 F238	L56-L183 WeakPolarHBondContact O-CA 3.47Å; L183-Q185 PolarHBondContact O-N 2.92Å; L183-P194 HydrophobicContact CB-CB 4.49Å; L183-E196 HydrophobicContact CD1-CB 4.43Å; L183-E196 HydrophobicContact CD1-CG 3.98Å; L183-A218 HydrophobicContact CD1-CB 4.32Å; L183-A218 HydrophobicContact CD2-CB 3.85Å; L183-V220 HydrophobicContact CD1-CG2 4.12Å; L183-V220 HydrophobicContact CG-CG2 3.79Å; L183-V236 HydrophobicContact CD2-CG1 3.63Å; L183-F238 HydrophobicContact CD2-CE1 4.28Å; L183-F238 HydrophobicContact CD2-CZ 4.25Å
184	K	93.1	Very high	88.3	Confident	44 Å²	44	62.1 Å²	62.1	19%	0.191	32%	0.315	C	S	.	.			trans	-49.8	134.8	172.3	178.5	-178.6	-178	165.2	0	110.7	L56 A57 E80 D186 P194 V195	L56-K184 PolarHBondContact O-N 2.87Å; A57-K184 HydrophobicContact CB-CB 3.74Å; A57-K184 HydrophobicContact CB-CD 3.93Å; E80-K184 VanDerWaalsContact OE1-CD 3.25Å; E80-K184 WeakPolarHBondContact OE1-CD 2.96Å; E80-K184 WeakPolarHBondContact OE1-CE 3.33Å; E80-K184 IonicContact OE1-NZ 2.67Å; E80-K184 PolarHBondContact OE1-NZ 2.89Å; E80-K184 IonicContact OE2-NZ 4Å; E80-K184 PolarHBondContact OE2-NZ 2.75Å; K184-D186 VanDerWaalsContact CE-OD1 3.23Å; K184-D186 WeakPolarHBondContact CE-OD1 3.38Å; K184-P194 CarbonylContact O-C 3.5Å; K184-P194 WeakPolarHBondContact O-CA 3.17Å; K184-V195 HydrophobicContact CB-CB 4.44Å; K184-V195 HydrophobicContact CB-CG2 4.39Å; K184-V195 HydrophobicContact CD-CG2 4.42Å; K184-V195 HydrophobicContact CG-CG2 4.34Å; K184-V195 PolarHBondContact O-N 3.14Å
185	Q	91	Very high	88.4	Confident	108 Å²	108	60.6 Å²	60.6	51%	0.505	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.1	172.1	-61.7	-178.2	14.2	0	0	109	L183 Y193	L183-Q185 PolarHBondContact O-N 2.92Å; Q185-Y193 CarbonylContact C-O 3.53Å; Q185-Y193 WeakPolarHBondContact CA-O 3.34Å
186	D	87.6	Confident	88.6	Confident	56 Å²	56	60.7 Å²	60.7	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	157.4	169.5	-83.2	-26.2	0	0	0	109.6	K184 T192 Y193 V195	K184-D186 VanDerWaalsContact CE-OD1 3.23Å; K184-D186 WeakPolarHBondContact CE-OD1 3.38Å; D186-T192 CarbonylContact O-C 3.53Å; D186-T192 VanDerWaalsContact O-CA 3.27Å; D186-T192 WeakPolarHBondContact O-CA 3.19Å; D186-Y193 HydrophobicContact CB-CD2 4.44Å; D186-Y193 HydrophobicContact CB-CE1 4.07Å; D186-Y193 HydrophobicContact CB-CE2 3.73Å; D186-Y193 PolarHBondContact N-O 2.85Å; D186-Y193 PolarHBondContact O-N 2.79Å; D186-V195 HydrophobicContact CB-CG2 4.32Å; D186-V195 WeakPolarHBondContact OD2-CG2 3.34Å
187	A	84.8	Confident	89	Confident	77 Å²	77	60.6 Å²	60.6	64%	0.636	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.4	179.4	0	0	0	0	0	110.6	R191 T192	A187-R191 WeakPolarHBondContact CA-O 3.46Å; A187-T192 HydrophobicContact CB-CG2 4.25Å
188	E	83	Confident	89.4	Confident	83 Å²	83	55.8 Å²	55.8	39%	0.388	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.9	173	-175.5	169.9	-146.3	0	0	108.5	N190 R191 Y193 K514 F516	E188-N190 VanDerWaalsContact C-N 3.3Å; E188-N190 PolarHBondContact O-N 3.17Å; E188-N190 VanDerWaalsContact O-N 3.16Å; E188-R191 PolarHBondContact N-O 2.91Å; E188-R191 PolarHBondContact O-N 3.04Å; E188-R191 VanDerWaalsContact O-O 3.13Å; E188-Y193 HydrophobicContact CB-CD1 4.49Å; E188-Y193 HydrophobicContact CB-CE1 3.83Å; E188-K514 IonicContact OE1-NZ 3.72Å; E188-K514 IonicContact OE2-NZ 3.78Å; E188-K514 PolarHBondContact OE2-NZ 2.91Å; E188-F516 HydrophobicContact CB-CE1 4.4Å
189	E	76.8	Confident	89.6	Confident	184 Å²	184	54.6 Å²	54.6	86%	0.86	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	44.2	178.4	-59.4	-174.8	169.1	0	0	114.7	R191	E189-R191 VanDerWaalsContact C-N 3.27Å; E189-R191 PolarHBondContact O-N 2.63Å
190	N	80.2	Confident	89.7	Confident	173 Å²	173	55.8 Å²	55.8	93%	0.925	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	10.6	-177.3	-61.6	-30.6	0	0	0	116.4	E188	E188-N190 VanDerWaalsContact C-N 3.3Å; E188-N190 PolarHBondContact O-N 3.17Å; E188-N190 VanDerWaalsContact O-N 3.16Å
191	R	84.5	Confident	89.5	Confident	156 Å²	156	57.7 Å²	57.7	59%	0.589	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.2	170	-62.6	-178.3	-175.7	171.6	2	109.8	A187 E188 E189 F516	A187-R191 WeakPolarHBondContact CA-O 3.46Å; E188-R191 PolarHBondContact N-O 2.91Å; E188-R191 PolarHBondContact O-N 3.04Å; E188-R191 VanDerWaalsContact O-O 3.13Å; E189-R191 VanDerWaalsContact C-N 3.27Å; E189-R191 PolarHBondContact O-N 2.63Å; R191-F516 HydrophobicContact CB-CB 4.29Å; R191-F516 HydrophobicContact CB-CD1 3.49Å; R191-F516 VanDerWaalsContact CB-CD1 3.49Å; R191-F516 HydrophobicContact CB-CE1 4.18Å; R191-F516 HydrophobicContact CB-CG 4.2Å; R191-F516 HydrophobicContact CG-CD1 4.48Å
192	T	87.1	Confident	89.1	Confident	56 Å²	56	62.8 Å²	62.8	34%	0.344	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	144.9	175.2	53.4	0	0	0	0	110	D186 A187 I517	D186-T192 CarbonylContact O-C 3.53Å; D186-T192 VanDerWaalsContact O-CA 3.27Å; D186-T192 WeakPolarHBondContact O-CA 3.19Å; A187-T192 HydrophobicContact CB-CG2 4.25Å; T192-I517 PolarHBondContact O-N 3.09Å
193	Y	88.9	Confident	88.6	Confident	21 Å²	21	70.7 Å²	70.7	8%	0.082	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.1	172.5	61.6	-93.6	0	0	0	109.8	Q185 D186 E188 V195 W197 K514 R515 F516	Q185-Y193 CarbonylContact C-O 3.53Å; Q185-Y193 WeakPolarHBondContact CA-O 3.34Å; D186-Y193 HydrophobicContact CB-CD2 4.44Å; D186-Y193 HydrophobicContact CB-CE1 4.07Å; D186-Y193 HydrophobicContact CB-CE2 3.73Å; D186-Y193 PolarHBondContact N-O 2.85Å; D186-Y193 PolarHBondContact O-N 2.79Å; E188-Y193 HydrophobicContact CB-CD1 4.49Å; E188-Y193 HydrophobicContact CB-CE1 3.83Å; Y193-V195 HydrophobicContact CE2-CG2 4.38Å; Y193-W197 HydrophobicContact CD2-CH2 4.1Å; Y193-W197 AromaticContact CE2-CH2 3.94Å; Y193-W197 HydrophobicContact CE2-CH2 3.94Å; Y193-W197 HydrophobicContact CE2-CZ2 4.17Å; Y193-K514 HydrophobicContact CD1-CD 4.06Å; Y193-K514 HydrophobicContact CD2-CB 4.46Å; Y193-K514 HydrophobicContact CD2-CD 4.16Å; Y193-K514 HydrophobicContact CE1-CD 3.75Å; Y193-K514 HydrophobicContact CE2-CD 3.88Å; Y193-K514 HydrophobicContact CG-CB 4.34Å; Y193-K514 HydrophobicContact CG-CD 4.25Å; Y193-K514 PolarHBondContact OH-NZ 3.09Å; Y193-K514 VanDerWaalsContact OH-NZ 3.12Å; Y193-R515 WeakPolarHBondContact CB-O 3.24Å; Y193-F516 HydrophobicContact CD1-CD1 4.1Å; Y193-F516 AromaticContact CD1-CE1 3.79Å; Y193-F516 HydrophobicContact CD1-CE1 3.79Å; Y193-F516 HydrophobicContact CE1-CE1 4.44Å
194	P	90.8	Very high	88	Confident	16 Å²	16	72.3 Å²	72.3	10%	0.104	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	139.7	172.8	30.6	-28.2	0	0	0	109.7	L183 K184 E196 R515 I517	L183-P194 HydrophobicContact CB-CB 4.49Å; K184-P194 CarbonylContact O-C 3.5Å; K184-P194 WeakPolarHBondContact O-CA 3.17Å; P194-E196 HydrophobicContact CB-CG 4.07Å; P194-E196 HydrophobicContact CG-CG 3.9Å; P194-E196 PolarHBondContact O-N 2.85Å; P194-R515 VanDerWaalsContact CD-O 3.31Å; P194-R515 WeakPolarHBondContact CD-O 3.32Å; P194-I517 HydrophobicContact CG-CD1 4.05Å
195	V	92.3	Very high	87.8	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.012	38%	0.381	C	S	.	.			trans	-79.6	88.1	173	-177	0	0	0	0	108	K184 D186 Y193 W197 I199	K184-V195 HydrophobicContact CB-CB 4.44Å; K184-V195 HydrophobicContact CB-CG2 4.39Å; K184-V195 HydrophobicContact CD-CG2 4.42Å; K184-V195 HydrophobicContact CG-CG2 4.34Å; K184-V195 PolarHBondContact O-N 3.14Å; D186-V195 HydrophobicContact CB-CG2 4.32Å; D186-V195 WeakPolarHBondContact OD2-CG2 3.34Å; Y193-V195 HydrophobicContact CE2-CG2 4.38Å; V195-W197 HydrophobicContact CG1-CD2 4.27Å; V195-W197 HydrophobicContact CG1-CG 4.37Å; V195-W197 HydrophobicContact CG1-CZ2 4.24Å; V195-W197 PolarHBondContact O-N 3.44Å; V195-I199 HydrophobicContact CG1-CD1 4.22Å; V195-I199 HydrophobicContact CG1-CG1 4.04Å
196	E	92.7	Very high	87.7	Confident	27 Å²	27	71.2 Å²	71.2	13%	0.126	38%	0.383	C	S	.	.			trans	-88.3	28.7	-178.6	-58	-175.6	140.8	0	0	112.8	L183 P194 P217 A218 Y507 Y509	L183-E196 HydrophobicContact CD1-CB 4.43Å; L183-E196 HydrophobicContact CD1-CG 3.98Å; P194-E196 HydrophobicContact CB-CG 4.07Å; P194-E196 HydrophobicContact CG-CG 3.9Å; P194-E196 PolarHBondContact O-N 2.85Å; E196-P217 CarbonylContact O-C 3.56Å; E196-P217 WeakPolarHBondContact O-CA 3.07Å; E196-A218 PolarHBondContact O-N 3.32Å; E196-Y507 WeakPolarHBondContact OE2-CE1 3.2Å; E196-Y509 HydrophobicContact CB-CD1 3.71Å; E196-Y509 HydrophobicContact CB-CE1 3.96Å; E196-Y509 WeakPolarHBondContact O-CD1 3.48Å
197	W	94.1	Very high	87.6	Confident	13 Å²	13	75.2 Å²	75.2	5%	0.049	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-143.8	158.8	178.1	55	80.3	0	0	0	111.7	Y193 V195 R216 V511 K514	Y193-W197 HydrophobicContact CD2-CH2 4.1Å; Y193-W197 AromaticContact CE2-CH2 3.94Å; Y193-W197 HydrophobicContact CE2-CH2 3.94Å; Y193-W197 HydrophobicContact CE2-CZ2 4.17Å; V195-W197 HydrophobicContact CG1-CD2 4.27Å; V195-W197 HydrophobicContact CG1-CG 4.37Å; V195-W197 HydrophobicContact CG1-CZ2 4.24Å; V195-W197 PolarHBondContact O-N 3.44Å; W197-R216 CarbonylContact C-O 3.6Å; W197-R216 VanDerWaalsContact CA-O 3.25Å; W197-R216 WeakPolarHBondContact CA-O 3.21Å; W197-V511 HydrophobicContact CD2-CG2 4.28Å; W197-V511 HydrophobicContact CG-CG2 4.28Å; W197-V511 HydrophobicContact CZ2-CB 4.37Å; W197-V511 HydrophobicContact CZ2-CG1 4.09Å; W197-K514 HydrophobicContact CH2-CG 4Å
198	I	95.1	Very high	88	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.378	C	S	.	.			trans	-73.8	126.6	169.3	-55.9	168.5	0	0	0	107.9	L58 L60 R216 F238 L240	L58-I198 HydrophobicContact CB-CG2 4.45Å; L58-I198 HydrophobicContact CD2-CD1 4.44Å; L58-I198 HydrophobicContact CD2-CG1 4.33Å; L58-I198 HydrophobicContact CD2-CG2 4.33Å; L58-I198 HydrophobicContact CG-CG2 4.44Å; L58-I198 WeakPolarHBondContact O-CG2 3.46Å; L60-I198 HydrophobicContact CB-CG2 3.65Å; I198-R216 HydrophobicContact CB-CB 4.11Å; I198-R216 HydrophobicContact CD1-CB 4.21Å; I198-R216 HydrophobicContact CG1-CB 4.38Å; I198-R216 PolarHBondContact N-O 2.86Å; I198-R216 VanDerWaalsContact O-CD 3.22Å; I198-R216 WeakPolarHBondContact O-CD 3.4Å; I198-R216 PolarHBondContact O-NE 3.34Å; I198-F238 HydrophobicContact CD1-CB 3.9Å; I198-F238 HydrophobicContact CG1-CB 3.91Å; I198-F238 HydrophobicContact CG1-CD1 3.74Å; I198-F238 HydrophobicContact CG1-CG 4.23Å; I198-L240 HydrophobicContact CD1-CD1 4.34Å; I198-L240 HydrophobicContact CD1-CD2 3.5Å; I198-L240 VanDerWaalsContact CD1-CD2 3.5Å; I198-L240 HydrophobicContact CD1-CG 3.59Å
199	I	94.3	Very high	88.3	Confident	46 Å²	46	72.5 Å²	72.5	24%	0.236	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-75.5	133.7	178.5	-55.9	170.3	0	0	0	108	A57 L58 T59 L60 V195	A57-I199 HydrophobicContact CB-CD1 4.26Å; L58-I199 PolarHBondContact O-N 2.95Å; T59-I199 CarbonylContact C-O 3.5Å; T59-I199 VanDerWaalsContact CA-O 3.27Å; T59-I199 WeakPolarHBondContact CA-O 3.35Å; T59-I199 HydrophobicContact CG2-CB 4.32Å; T59-I199 HydrophobicContact CG2-CG2 4.24Å; L60-I199 PolarHBondContact N-O 2.91Å; V195-I199 HydrophobicContact CG1-CD1 4.22Å; V195-I199 HydrophobicContact CG1-CG1 4.04Å
200	I	93.1	Very high	89	Confident	25 Å²	25	66.8 Å²	66.8	13%	0.128	37%	0.366	C	S	.	.			trans	-128.5	123.8	171.3	-57.5	-169.6	0	0	0	107	L60 P202 F205 I213	L60-I200 HydrophobicContact CB-CG1 4.23Å; L60-I200 HydrophobicContact CD2-CD1 4.08Å; I200-P202 WeakPolarHBondContact O-CD 3.44Å; I200-F205 HydrophobicContact CD1-CD2 4.48Å; I200-F205 HydrophobicContact CD1-CE2 4.22Å; I200-F205 HydrophobicContact CD1-CZ 4.36Å; I200-F205 HydrophobicContact CG2-CB 3.37Å; I200-F205 HydrophobicContact CG2-CD1 3.83Å; I200-F205 HydrophobicContact CG2-CD2 3.43Å; I200-F205 VanDerWaalsContact CG2-CD2 3.43Å; I200-F205 HydrophobicContact CG2-CE1 4.46Å; I200-F205 HydrophobicContact CG2-CE2 4.16Å; I200-F205 HydrophobicContact CG2-CG 3.26Å; I200-I213 HydrophobicContact CD1-CD1 3.82Å
201	D	89.4	Confident	89.7	Confident	83 Å²	83	58.7 Å²	58.7	44%	0.444	32%	0.323	S	S	.	.			trans	-75.9	115.1	172.4	-179.2	-2	0	0	0	109.1	E203 G204 F205	D201-E203 PolarHBondContact O-N 2.81Å; D201-E203 PolarHBondContact OD1-N 3.46Å; D201-E203 VanDerWaalsContact OD1-N 3.1Å; D201-G204 PolarHBondContact O-N 2.92Å; D201-F205 WeakPolarHBondContact O-CB 3.49Å; D201-F205 PolarHBondContact O-N 2.91Å
202	P	84.3	Confident	90.1	Very high	116 Å²	116	54.5 Å²	54.5	75%	0.753	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25	-177.2	27.4	-35.8	0	0	0	113.6	I200	I200-P202 WeakPolarHBondContact O-CD 3.44Å
203	E	83.6	Confident	90.4	Very high	188 Å²	188	53.8 Å²	53.8	88%	0.879	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-35.2	179.2	-64	-171.2	174.7	0	0	112.1	D201	D201-E203 PolarHBondContact O-N 2.81Å; D201-E203 PolarHBondContact OD1-N 3.46Å; D201-E203 VanDerWaalsContact OD1-N 3.1Å
204	G	81.3	Confident	90.6	Very high	44 Å²	44	55.2 Å²	55.2	45%	0.454	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.1	-179.2	0	0	0	0	0	115.3	D201	D201-G204 PolarHBondContact O-N 2.92Å
205	F	89.1	Confident	90.8	Very high	41 Å²	41	56 Å²	56	18%	0.18	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-86.9	125.9	-174.8	-178.9	-105.7	0	0	0	112.7	L60 S61 I200 D201 E207 I213	L60-F205 HydrophobicContact CD2-CE2 4.09Å; L60-F205 HydrophobicContact CG-CE2 4.26Å; S61-F205 WeakPolarHBondContact O-CD2 3.1Å; I200-F205 HydrophobicContact CD1-CD2 4.48Å; I200-F205 HydrophobicContact CD1-CE2 4.22Å; I200-F205 HydrophobicContact CD1-CZ 4.36Å; I200-F205 HydrophobicContact CG2-CB 3.37Å; I200-F205 HydrophobicContact CG2-CD1 3.83Å; I200-F205 HydrophobicContact CG2-CD2 3.43Å; I200-F205 VanDerWaalsContact CG2-CD2 3.43Å; I200-F205 HydrophobicContact CG2-CE1 4.46Å; I200-F205 HydrophobicContact CG2-CE2 4.16Å; I200-F205 HydrophobicContact CG2-CG 3.26Å; D201-F205 WeakPolarHBondContact O-CB 3.49Å; D201-F205 PolarHBondContact O-N 2.91Å; F205-E207 HydrophobicContact CD1-CG 4.22Å; F205-E207 HydrophobicContact CE1-CB 4.4Å; F205-E207 HydrophobicContact CE1-CG 3.72Å; F205-I213 HydrophobicContact CE1-CD1 4.49Å; F205-I213 HydrophobicContact CE2-CD1 4.14Å; F205-I213 HydrophobicContact CZ-CD1 3.6Å
206	T	88.2	Confident	90.9	Very high	89 Å²	89	58.8 Å²	58.8	55%	0.546	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-100.2	117.8	168.9	62.4	0	0	0	0	110.5	N62	N62-T206 PolarHBondContact OD1-N 3.47Å; N62-T206 PolarHBondContact OD1-OG1 3.12Å
207	E	87.3	Confident	91.1	Very high	140 Å²	140	57.5 Å²	57.5	65%	0.654	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-61.9	139.7	174.1	-82.6	-171.9	-154.6	0	0	111.6	F205 K245	F205-E207 HydrophobicContact CD1-CG 4.22Å; F205-E207 HydrophobicContact CE1-CB 4.4Å; F205-E207 HydrophobicContact CE1-CG 3.72Å; E207-K245 IonicContact OE2-NZ 2.69Å; E207-K245 PolarHBondContact OE2-NZ 2.75Å
208	N	91.4	Very high	91.1	Very high	34 Å²	34	56.9 Å²	56.9	18%	0.182	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-72.8	141.3	173.1	-164.4	-29	0	0	0	110.4	L63 I64 E210 W211 K245	L63-N208 HydrophobicContact CD2-CB 4.39Å; L63-N208 VanDerWaalsContact CD2-ND2 3.31Å; L63-N208 WeakPolarHBondContact CD2-ND2 3.4Å; L63-N208 PolarHBondContact O-ND2 2.84Å; I64-N208 PolarHBondContact O-ND2 3.4Å; N208-E210 VanDerWaalsContact C-N 3.27Å; N208-E210 PolarHBondContact O-N 3.25Å; N208-E210 PolarHBondContact OD1-N 3Å; N208-E210 VanDerWaalsContact OD1-N 3.11Å; N208-W211 HydrophobicContact CB-CB 4.37Å; N208-K245 PolarHBondContact O-NZ 2.83Å; N208-K245 VanDerWaalsContact O-NZ 3.14Å
209	G	90.4	Very high	91	Very high	68 Å²	68	59.5 Å²	59.5	70%	0.701	33%	0.328	S	S	*	.	S	Bend	trans	-69.1	-23.5	177	0	0	0	0	0	113.7	K245	G209-K245 WeakPolarHBondContact O-CD 3.24Å
210	E	91.1	Very high	90.9	Very high	64 Å²	64	60 Å²	60	30%	0.299	33%	0.333	S	S	.	.	S	Bend	trans	-104.9	-28.8	-178.1	-175.1	167.5	-163.7	0	0	113.9	N208 R244 K245 Y249	N208-E210 VanDerWaalsContact C-N 3.27Å; N208-E210 PolarHBondContact O-N 3.25Å; N208-E210 PolarHBondContact OD1-N 3Å; N208-E210 VanDerWaalsContact OD1-N 3.11Å; E210-R244 HydrophobicContact CG-CG 4.27Å; E210-R244 CarbonylContact O-C 3.5Å; E210-R244 IonicContact OE1-CZ 3.67Å; E210-R244 IonicContact OE1-NH1 2.63Å; E210-R244 PolarHBondContact OE1-NH1 2.78Å; E210-K245 WeakPolarHBondContact O-CB 3.22Å; E210-K245 PolarHBondContact O-N 2.88Å; E210-Y249 PolarHBondContact OE1-OH 3.05Å
211	W	94.1	Very high	90.8	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.015	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.3	-172.5	-64	96.9	0	0	0	111.5	L63 L66 Q163 N208 I242 R244	L63-W211 HydrophobicContact CD2-CB 4.36Å; L66-W211 HydrophobicContact CB-CZ2 4.11Å; L66-W211 HydrophobicContact CD2-CH2 3.62Å; L66-W211 HydrophobicContact CD2-CZ2 3.42Å; L66-W211 VanDerWaalsContact CD2-CZ2 3.42Å; L66-W211 HydrophobicContact CD2-CZ3 4.31Å; L66-W211 HydrophobicContact CG-CZ2 4.27Å; Q163-W211 HydrophobicContact CB-CZ3 4.45Å; Q163-W211 HydrophobicContact CG-CH2 3.66Å; Q163-W211 HydrophobicContact CG-CZ3 3.79Å; N208-W211 HydrophobicContact CB-CB 4.37Å; W211-I242 HydrophobicContact CD2-CD1 4Å; W211-I242 HydrophobicContact CD2-CG1 4.43Å; W211-I242 HydrophobicContact CE3-CB 4.07Å; W211-I242 HydrophobicContact CE3-CD1 3.8Å; W211-I242 HydrophobicContact CE3-CG1 3.75Å; W211-I242 HydrophobicContact CG-CD1 4.36Å; W211-I242 HydrophobicContact CZ3-CD1 4.3Å; W211-I242 HydrophobicContact CZ3-CG1 4.11Å; W211-R244 HydrophobicContact CE3-CB 4.13Å; W211-R244 HydrophobicContact CH2-CB 4.11Å; W211-R244 HydrophobicContact CH2-CG 4.45Å; W211-R244 VanDerWaalsContact CH2-CZ 3.45Å; W211-R244 HydrophobicContact CZ3-CB 3.78Å; W211-R244 HydrophobicContact CZ3-CG 4.48Å
212	E	93.8	Very high	90.8	Very high	68 Å²	68	60.8 Å²	60.8	32%	0.318	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.8	172.1	-178.1	-175.7	-167.3	0	0	109.1	I242 R243	E212-I242 CarbonylContact O-C 3.37Å; E212-I242 WeakPolarHBondContact O-CA 3.3Å; E212-R243 PolarHBondContact N-O 3.1Å; E212-R243 PolarHBondContact O-N 3.4Å; E212-R243 IonicContact OE1-NH2 3.46Å; E212-R243 IonicContact OE2-CZ 2.65Å; E212-R243 IonicContact OE2-NE 3.04Å; E212-R243 PolarHBondContact OE2-NE 3.34Å; E212-R243 IonicContact OE2-NH2 3.51Å; E212-R243 PolarHBondContact OE2-NH2 3.01Å
213	I	94.1	Very high	90.8	Very high	40 Å²	40	58.5 Å²	58.5	21%	0.205	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.8	176.6	-56.6	174	0	0	0	108.2	L60 L63 I200 F205 R216 L240 I242	L60-I213 HydrophobicContact CD2-CD1 3.58Å; L63-I213 HydrophobicContact CD1-CG1 4.36Å; I200-I213 HydrophobicContact CD1-CD1 3.82Å; F205-I213 HydrophobicContact CE1-CD1 4.49Å; F205-I213 HydrophobicContact CE2-CD1 4.14Å; F205-I213 HydrophobicContact CZ-CD1 3.6Å; I213-R216 HydrophobicContact CG2-CB 4.25Å; I213-L240 HydrophobicContact CD1-CD2 4.48Å; I213-L240 HydrophobicContact CG2-CD2 4.15Å; I213-I242 HydrophobicContact CG1-CG2 4.05Å
214	V	93	Very high	90.7	Very high	52 Å²	52	54.6 Å²	54.6	32%	0.315	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-53	-179	-177.7	0	0	0	0	110.4	I241 R243 P497	V214-I241 PolarHBondContact N-O 3.16Å; V214-R243 HydrophobicContact CG2-CB 3.72Å; V214-P497 HydrophobicContact CB-CG 4.41Å; V214-P497 HydrophobicContact CG1-CB 4.42Å; V214-P497 HydrophobicContact CG1-CG 3.94Å; V214-P497 HydrophobicContact CG2-CG 4.11Å
215	H	94.1	Very high	90.7	Very high	33 Å²	33	63.4 Å²	63.4	15%	0.153	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.5	175.8	-54.8	-69.1	0	0	0	110.5	I241 P498 P499 P501	H215-I241 HydrophobicContact CB-CB 3.99Å; H215-I241 HydrophobicContact CB-CD1 4.03Å; H215-I241 HydrophobicContact CB-CG1 4.29Å; H215-I241 PolarHBondContact N-O 2.89Å; H215-I241 PolarHBondContact O-N 2.98Å; H215-P498 PolarHBondContact NE2-O 2.68Å; H215-P499 PolarHBondContact CE1-O 3.45Å; H215-P499 PolarHBondContact NE2-O 3.2Å; H215-P501 HydrophobicContact CB-CB 4.05Å
216	R	94.8	Very high	90.3	Very high	60 Å²	60	62 Å²	62	23%	0.226	33%	0.329	C	S	.	.			trans	-140.7	49.5	-175.2	60.7	-178.9	-176.3	-160.7	-3	113.9	W197 I198 I213 Y239 L240	W197-R216 CarbonylContact C-O 3.6Å; W197-R216 VanDerWaalsContact CA-O 3.25Å; W197-R216 WeakPolarHBondContact CA-O 3.21Å; I198-R216 HydrophobicContact CB-CB 4.11Å; I198-R216 HydrophobicContact CD1-CB 4.21Å; I198-R216 HydrophobicContact CG1-CB 4.38Å; I198-R216 PolarHBondContact N-O 2.86Å; I198-R216 VanDerWaalsContact O-CD 3.22Å; I198-R216 WeakPolarHBondContact O-CD 3.4Å; I198-R216 PolarHBondContact O-NE 3.34Å; I213-R216 HydrophobicContact CG2-CB 4.25Å; R216-Y239 CarbonylContact C-O 3.52Å; R216-Y239 VanDerWaalsContact CA-O 3.27Å; R216-Y239 WeakPolarHBondContact CA-O 3.29Å; R216-L240 HydrophobicContact CB-CD2 4.18Å
217	P	95.8	Very high	89.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-75.8	156.9	-173.1	34.5	-38	0	0	0	112.4	E196 Y239 P501 F502 Y509	E196-P217 CarbonylContact O-C 3.56Å; E196-P217 WeakPolarHBondContact O-CA 3.07Å; P217-Y239 WeakPolarHBondContact CD-O 3.02Å; P217-Y239 HydrophobicContact CG-CD2 4.34Å; P217-Y239 PolarHBondContact O-N 3.25Å; P217-P501 HydrophobicContact CB-CG 4.45Å; P217-P501 HydrophobicContact CG-CB 3.86Å; P217-P501 HydrophobicContact CG-CG 4.24Å; P217-F502 HydrophobicContact CB-CE2 3.6Å; P217-F502 HydrophobicContact CB-CZ 4.06Å; P217-F502 HydrophobicContact CG-CE2 3.52Å; P217-F502 HydrophobicContact CG-CZ 3.63Å; P217-Y509 HydrophobicContact CB-CD1 3.85Å; P217-Y509 HydrophobicContact CB-CD2 4.2Å; P217-Y509 HydrophobicContact CB-CG 3.59Å
218	A	95.1	Very high	89.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.5	171	0	0	0	0	0	109.3	L183 E196 F238	L183-A218 HydrophobicContact CD1-CB 4.32Å; L183-A218 HydrophobicContact CD2-CB 3.85Å; E196-A218 PolarHBondContact O-N 3.32Å; A218-F238 HydrophobicContact CB-CD1 3.36Å; A218-F238 HydrophobicContact CB-CE1 3.47Å; A218-F238 VanDerWaalsContact CB-CE1 3.47Å; A218-F238 HydrophobicContact CB-CG 4.33Å; A218-F238 HydrophobicContact CB-CZ 4.5Å
219	R	93	Very high	88.6	Confident	55 Å²	55	63.2 Å²	63.2	21%	0.208	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.7	176.7	-74.2	-175.1	169.9	-179.3	-4.1	111	T237 F502 D505 Y509	R219-T237 PolarHBondContact N-O 3.48Å; R219-T237 PolarHBondContact O-N 3.17Å; R219-F502 HydrophobicContact CG-CE2 4.2Å; R219-F502 HydrophobicContact CG-CZ 4.17Å; R219-F502 VanDerWaalsContact NH1-CD1 3.31Å; R219-F502 VanDerWaalsContact NH2-CG 3.3Å; R219-D505 IonicContact CZ-OD2 2.68Å; R219-D505 IonicContact NH2-OD2 2.74Å; R219-D505 PolarHBondContact NH2-OD2 3.41Å; R219-Y509 HydrophobicContact CG-CE1 4.17Å; R219-Y509 VanDerWaalsContact NE-CZ 3.29Å; R219-Y509 PolarHBondContact NE-OH 2.88Å; R219-Y509 PolarHBondContact NH2-OH 2.91Å
220	V	92.8	Very high	87.9	Confident	55 Å²	55	61.4 Å²	61.4	33%	0.333	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.3	164.3	-171.5	0	0	0	0	107.6	L183 V222 V236	L183-V220 HydrophobicContact CD1-CG2 4.12Å; L183-V220 HydrophobicContact CG-CG2 3.79Å; V220-V222 HydrophobicContact CG1-CG2 4.31Å; V220-V236 HydrophobicContact CG2-CG2 4.29Å
221	N	90.8	Very high	87.1	Confident	45 Å²	45	60.6 Å²	60.6	24%	0.241	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.1	174.1	-59.6	-44.5	0	0	0	108.8	Q234 D235 T237	N221-Q234 WeakPolarHBondContact O-CA 3.48Å; N221-D235 WeakPolarHBondContact CB-OD2 3.26Å; N221-D235 PolarHBondContact N-O 2.81Å; N221-D235 PolarHBondContact ND2-OD2 2.96Å; N221-D235 PolarHBondContact O-N 2.7Å; N221-T237 WeakPolarHBondContact ND2-CB 3.29Å; N221-T237 PolarHBondContact ND2-OG1 3.2Å
222	V	88.5	Confident	86.1	Confident	80 Å²	80	63.1 Å²	63.1	49%	0.485	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.9	174.1	-177.6	0	0	0	0	107.4	V220 P224 R233	V220-V222 HydrophobicContact CG1-CG2 4.31Å; V222-P224 WeakPolarHBondContact O-CD 3.29Å; V222-R233 CarbonylContact C-O 3.59Å; V222-R233 WeakPolarHBondContact CA-O 2.81Å; V222-R233 HydrophobicContact CG1-CG 4.42Å
223	D	84.6	Confident	85.6	Confident	69 Å²	69	62.2 Å²	62.2	37%	0.369	33%	0.329	S	S	.	.			trans	-81.8	109.2	175.6	-173	-2.8	0	0	0	109.7	R225 A226 R233	D223-R225 PolarHBondContact O-N 2.91Å; D223-R225 VanDerWaalsContact OD1-CB 3.29Å; D223-R225 WeakPolarHBondContact OD1-CB 3.27Å; D223-R225 PolarHBondContact OD1-N 3.04Å; D223-A226 HydrophobicContact CB-CB 4.19Å; D223-A226 PolarHBondContact O-N 2.83Å; D223-R233 PolarHBondContact N-O 3.41Å; D223-R233 PolarHBondContact O-NH1 3.34Å; D223-R233 VanDerWaalsContact O-NH1 3.12Å
224	P	81.3	Confident	85.4	Confident	105 Å²	105	61 Å²	61	68%	0.682	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.5	178.9	28.6	-34.9	0	0	0	112.5	V222 R233	V222-P224 WeakPolarHBondContact O-CD 3.29Å; P224-R233 PolarHBondContact O-NH1 2.93Å
225	R	81.9	Confident	85.3	Confident	230 Å²	230	59.2 Å²	59.2	87%	0.868	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.6	-177.8	-57.5	174.3	-178.6	163.9	2.3	112.4	D223	D223-R225 PolarHBondContact O-N 2.91Å; D223-R225 VanDerWaalsContact OD1-CB 3.29Å; D223-R225 WeakPolarHBondContact OD1-CB 3.27Å; D223-R225 PolarHBondContact OD1-N 3.04Å
226	A	79.6	Confident	85.4	Confident	12 Å²	12	57.7 Å²	57.7	10%	0.099	30%	0.304	C	S	.	.	S	Bend	trans	-73.8	135.2	178.5	0	0	0	0	0	110.7	D223 R233	D223-A226 HydrophobicContact CB-CB 4.19Å; D223-A226 PolarHBondContact O-N 2.83Å; A226-R233 HydrophobicContact CB-CB 4.1Å; A226-R233 HydrophobicContact CB-CG 4.43Å; A226-R233 PolarHBondContact O-NH1 2.83Å
227	P	80.3	Confident	85.4	Confident	92 Å²	92	55 Å²	55	60%	0.597	30%	0.295	S	S	*	.			trans	-54.8	148.7	172.8	-23.6	32.8	0	0	0	111.8	D229 S230	P227-D229 PolarHBondContact O-N 3.2Å; P227-D229 VanDerWaalsContact O-N 3.1Å; P227-S230 WeakPolarHBondContact O-CB 3.49Å; P227-S230 PolarHBondContact O-N 3.12Å
228	L	73.6	Confident	85.4	Confident	92 Å²	92	55.1 Å²	55.1	48%	0.482	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.1	175	-85.8	96	0	0	0	113.2	T175 K177 S230	T175-L228 WeakPolarHBondContact CG2-O 3.31Å; K177-L228 HydrophobicContact CD-CB 4.35Å; K177-L228 VanDerWaalsContact CE-CB 3.46Å; K177-L228 HydrophobicContact CG-CB 4.01Å; K177-L228 HydrophobicContact CG-CD2 4.16Å; L228-S230 VanDerWaalsContact C-N 3.26Å; L228-S230 PolarHBondContact O-N 3.47Å
229	D	77.1	Confident	85.5	Confident	104 Å²	104	57.2 Å²	57.2	56%	0.556	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.5	179.1	-67.9	-46.7	0	0	0	113.9	T175 K177 P227	T175-D229 VanDerWaalsContact CG2-CA 3.43Å; T175-D229 WeakPolarHBondContact CG2-O 3.47Å; T175-D229 PolarHBondContact OG1-O 3.43Å; K177-D229 VanDerWaalsContact CD-OD1 3.3Å; K177-D229 WeakPolarHBondContact CD-OD1 3.49Å; K177-D229 WeakPolarHBondContact CE-OD1 3.44Å; K177-D229 IonicContact NZ-OD1 2.8Å; K177-D229 PolarHBondContact NZ-OD1 3.44Å; K177-D229 IonicContact NZ-OD2 3.52Å; K177-D229 PolarHBondContact NZ-OD2 2.89Å; P227-D229 PolarHBondContact O-N 3.2Å; P227-D229 VanDerWaalsContact O-N 3.1Å
230	S	76.9	Confident	85.6	Confident	30 Å²	30	54.7 Å²	54.7	21%	0.21	29%	0.294	C	S	.	.			trans	-86.1	133.7	178.3	-166.3	0	0	0	0	111.6	P227 L228 S232 R233	P227-S230 WeakPolarHBondContact O-CB 3.49Å; P227-S230 PolarHBondContact O-N 3.12Å; L228-S230 VanDerWaalsContact C-N 3.26Å; L228-S230 PolarHBondContact O-N 3.47Å; S230-S232 PolarHBondContact O-N 2.85Å; S230-S232 PolarHBondContact OG-N 3.06Å; S230-S232 PolarHBondContact OG-OG 2.88Å; S230-R233 WeakPolarHBondContact O-CB 3.44Å; S230-R233 PolarHBondContact O-N 2.96Å
231	P	73.1	Confident	85.7	Confident	47 Å²	47	52.2 Å²	52.2	31%	0.305	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-64.5	-25.6	171.7	26.9	-33.9	0	0	0	112.1	S171 R233	S171-P231 WeakPolarHBondContact O-CB 3.4Å; P231-R233 PolarHBondContact O-N 3.1Å
232	S	74.4	Confident	86	Confident	57 Å²	57	50 Å²	50	40%	0.399	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-78.6	4.3	179.9	63.9	0	0	0	0	115	S230	S230-S232 PolarHBondContact O-N 2.85Å; S230-S232 PolarHBondContact OG-N 3.06Å; S230-S232 PolarHBondContact OG-OG 2.88Å
233	R	83.2	Confident	86.3	Confident	48 Å²	48	51 Å²	51	18%	0.181	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-71.4	-33.1	-177.1	177.4	170.4	174.2	84.3	3.9	113	A176 V222 D223 P224 A226 S230 P231	A176-R233 HydrophobicContact CB-CB 4.12Å; A176-R233 HydrophobicContact CB-CG 4.32Å; V222-R233 CarbonylContact C-O 3.59Å; V222-R233 WeakPolarHBondContact CA-O 2.81Å; V222-R233 HydrophobicContact CG1-CG 4.42Å; D223-R233 PolarHBondContact N-O 3.41Å; D223-R233 PolarHBondContact O-NH1 3.34Å; D223-R233 VanDerWaalsContact O-NH1 3.12Å; P224-R233 PolarHBondContact O-NH1 2.93Å; A226-R233 HydrophobicContact CB-CB 4.1Å; A226-R233 HydrophobicContact CB-CG 4.43Å; A226-R233 PolarHBondContact O-NH1 2.83Å; S230-R233 WeakPolarHBondContact O-CB 3.44Å; S230-R233 PolarHBondContact O-N 2.96Å; P231-R233 PolarHBondContact O-N 3.1Å
234	Q	88.9	Confident	86.7	Confident	15 Å²	15	47.9 Å²	47.9	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.5	-178.6	69.3	-175.9	-0.2	0	0	110	A176 I179 L181 N221	A176-Q234 HydrophobicContact CB-CG 4.14Å; I179-Q234 PolarHBondContact O-NE2 3.08Å; L181-Q234 HydrophobicContact CD1-CG 4.14Å; L181-Q234 HydrophobicContact CG-CG 4.23Å; N221-Q234 WeakPolarHBondContact O-CA 3.48Å
235	D	92.4	Very high	87.3	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.08	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.4	171	62.3	-94.5	0	0	0	110.1	K168 F169 N221 T237	K168-D235 HydrophobicContact CD-CB 4.4Å; K168-D235 VanDerWaalsContact CE-CB 3.49Å; K168-D235 WeakPolarHBondContact CE-OD1 3.24Å; K168-D235 HydrophobicContact CG-CB 3.94Å; F169-D235 WeakPolarHBondContact O-CA 3.42Å; N221-D235 WeakPolarHBondContact CB-OD2 3.26Å; N221-D235 PolarHBondContact N-O 2.81Å; N221-D235 PolarHBondContact ND2-OD2 2.96Å; N221-D235 PolarHBondContact O-N 2.7Å; D235-T237 PolarHBondContact OD2-OG1 2.04Å
236	V	95.1	Very high	87.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113	168.5	-177.3	0	0	0	0	106.8	L56 F169 L181 L183 V220 F238	L56-V236 HydrophobicContact CD1-CB 4.2Å; L56-V236 HydrophobicContact CD1-CG2 4.01Å; F169-V236 PolarHBondContact N-O 3.47Å; F169-V236 PolarHBondContact O-N 2.74Å; L181-V236 HydrophobicContact CB-CG2 3.7Å; L181-V236 HydrophobicContact CD1-CG2 4.23Å; L183-V236 HydrophobicContact CD2-CG1 3.63Å; V220-V236 HydrophobicContact CG2-CG2 4.29Å; V236-F238 HydrophobicContact CG1-CD2 4.36Å; V236-F238 HydrophobicContact CG1-CE2 3.66Å; V236-F238 HydrophobicContact CG1-CZ 3.82Å
237	T	95.4	Very high	88.3	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.2	179.7	-64.3	0	0	0	0	110.3	L167 R219 N221 D235 Y239	L167-T237 WeakPolarHBondContact O-CA 3.2Å; R219-T237 PolarHBondContact N-O 3.48Å; R219-T237 PolarHBondContact O-N 3.17Å; N221-T237 WeakPolarHBondContact ND2-CB 3.29Å; N221-T237 PolarHBondContact ND2-OG1 3.2Å; D235-T237 PolarHBondContact OD2-OG1 2.04Å; T237-Y239 HydrophobicContact CG2-CD1 4.18Å; T237-Y239 HydrophobicContact CG2-CD2 3.97Å; T237-Y239 HydrophobicContact CG2-CE1 3.73Å; T237-Y239 HydrophobicContact CG2-CE2 3.51Å; T237-Y239 HydrophobicContact CG2-CG 4.29Å
238	F	96.4	Very high	88.7	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.2	169.6	-61.7	-88.8	0	0	0	108.6	L58 S166 L167 F169 L183 I198 A218 V236	L58-F238 HydrophobicContact CB-CD1 3.67Å; L58-F238 HydrophobicContact CB-CD2 4.14Å; L58-F238 HydrophobicContact CB-CE1 3.51Å; L58-F238 HydrophobicContact CB-CE2 3.99Å; L58-F238 HydrophobicContact CB-CG 4Å; L58-F238 HydrophobicContact CB-CZ 3.68Å; L58-F238 HydrophobicContact CD2-CB 3.89Å; L58-F238 HydrophobicContact CD2-CD1 4.15Å; L58-F238 HydrophobicContact CD2-CD2 3.98Å; L58-F238 HydrophobicContact CD2-CG 3.74Å; L58-F238 HydrophobicContact CG-CG 4.5Å; S166-F238 CarbonylContact C-O 3.57Å; S166-F238 WeakPolarHBondContact CA-O 3.35Å; L167-F238 HydrophobicContact CB-CB 4.44Å; L167-F238 PolarHBondContact N-O 2.79Å; L167-F238 PolarHBondContact O-N 3.42Å; F169-F238 AromaticContact CD2-CD2 3.55Å; F169-F238 HydrophobicContact CD2-CD2 3.55Å; F169-F238 AromaticContact CD2-CE2 3.67Å; F169-F238 HydrophobicContact CD2-CE2 3.67Å; F169-F238 AromaticContact CE2-CD2 3.63Å; F169-F238 HydrophobicContact CE2-CD2 3.63Å; F169-F238 AromaticContact CE2-CE2 3.96Å; F169-F238 HydrophobicContact CE2-CE2 3.96Å; L183-F238 HydrophobicContact CD2-CE1 4.28Å; L183-F238 HydrophobicContact CD2-CZ 4.25Å; I198-F238 HydrophobicContact CD1-CB 3.9Å; I198-F238 HydrophobicContact CG1-CB 3.91Å; I198-F238 HydrophobicContact CG1-CD1 3.74Å; I198-F238 HydrophobicContact CG1-CG 4.23Å; A218-F238 HydrophobicContact CB-CD1 3.36Å; A218-F238 HydrophobicContact CB-CE1 3.47Å; A218-F238 VanDerWaalsContact CB-CE1 3.47Å; A218-F238 HydrophobicContact CB-CG 4.33Å; A218-F238 HydrophobicContact CB-CZ 4.5Å; V236-F238 HydrophobicContact CG1-CD2 4.36Å; V236-F238 HydrophobicContact CG1-CE2 3.66Å; V236-F238 HydrophobicContact CG1-CZ 3.82Å
239	Y	95.8	Very high	89.4	Confident	44 Å²	44	38.8 Å²	38.8	17%	0.173	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.9	177.8	-56.3	-96	0	0	0	110.1	C165 R216 P217 T237 F502	C165-Y239 CarbonylContact O-C 3.46Å; C165-Y239 WeakPolarHBondContact O-CA 3.36Å; R216-Y239 CarbonylContact C-O 3.52Å; R216-Y239 VanDerWaalsContact CA-O 3.27Å; R216-Y239 WeakPolarHBondContact CA-O 3.29Å; P217-Y239 WeakPolarHBondContact CD-O 3.02Å; P217-Y239 HydrophobicContact CG-CD2 4.34Å; P217-Y239 PolarHBondContact O-N 3.25Å; T237-Y239 HydrophobicContact CG2-CD1 4.18Å; T237-Y239 HydrophobicContact CG2-CD2 3.97Å; T237-Y239 HydrophobicContact CG2-CE1 3.73Å; T237-Y239 HydrophobicContact CG2-CE2 3.51Å; T237-Y239 HydrophobicContact CG2-CG 4.29Å; Y239-F502 HydrophobicContact CD2-CE1 4.01Å; Y239-F502 AromaticContact CD2-CZ 3.6Å; Y239-F502 HydrophobicContact CD2-CZ 3.6Å; Y239-F502 AromaticContact CE2-CE1 3.89Å; Y239-F502 HydrophobicContact CE2-CE1 3.89Å; Y239-F502 AromaticContact CE2-CZ 3.76Å; Y239-F502 HydrophobicContact CE2-CZ 3.76Å; Y239-F502 HydrophobicContact CG-CE1 4.41Å; Y239-F502 HydrophobicContact CG-CZ 4.24Å
240	L	95.7	Very high	90	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	104	171.6	-78.2	172.1	0	0	0	107.9	L60 L73 T75 C165 L167 I198 I213 R216 I242	L60-L240 HydrophobicContact CD2-CD1 4.41Å; L60-L240 HydrophobicContact CD2-CD2 4.2Å; L73-L240 HydrophobicContact CD2-CD1 4.19Å; T75-L240 HydrophobicContact CG2-CD1 4.21Å; C165-L240 PolarHBondContact N-O 2.79Å; C165-L240 PolarHBondContact O-N 2.66Å; L167-L240 HydrophobicContact CD1-CD1 3.93Å; L167-L240 HydrophobicContact CD1-CG 4.46Å; I198-L240 HydrophobicContact CD1-CD1 4.34Å; I198-L240 HydrophobicContact CD1-CD2 3.5Å; I198-L240 VanDerWaalsContact CD1-CD2 3.5Å; I198-L240 HydrophobicContact CD1-CG 3.59Å; I213-L240 HydrophobicContact CD1-CD2 4.48Å; I213-L240 HydrophobicContact CG2-CD2 4.15Å; R216-L240 HydrophobicContact CB-CD2 4.18Å; L240-I242 HydrophobicContact CB-CG2 4.32Å
241	I	95.6	Very high	90.7	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	108.3	171	-58.5	178.6	0	0	0	107	W162 Q163 N164 V214 H215 P497 P501	W162-I241 HydrophobicContact CE3-CG2 4.36Å; Q163-I241 WeakPolarHBondContact O-CA 3.45Å; N164-I241 HydrophobicContact CB-CG1 4.42Å; V214-I241 PolarHBondContact N-O 3.16Å; H215-I241 HydrophobicContact CB-CB 3.99Å; H215-I241 HydrophobicContact CB-CD1 4.03Å; H215-I241 HydrophobicContact CB-CG1 4.29Å; H215-I241 PolarHBondContact N-O 2.89Å; H215-I241 PolarHBondContact O-N 2.98Å; I241-P497 HydrophobicContact CG2-CB 4.26Å; I241-P501 HydrophobicContact CD1-CB 3.74Å
242	I	95.4	Very high	91.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.2	-173.7	57.4	-179.7	0	0	0	110.7	L63 L66 W162 Q163 W211 E212 I213 L240	L63-I242 HydrophobicContact CD1-CD1 4.3Å; L63-I242 HydrophobicContact CD1-CG2 3.88Å; L66-I242 HydrophobicContact CD2-CD1 4.05Å; W162-I242 CarbonylContact C-O 3.53Å; W162-I242 WeakPolarHBondContact CA-O 3.43Å; Q163-I242 HydrophobicContact CB-CD1 4.49Å; Q163-I242 HydrophobicContact CB-CG1 3.99Å; Q163-I242 PolarHBondContact N-O 3.11Å; Q163-I242 PolarHBondContact O-N 2.77Å; W211-I242 HydrophobicContact CD2-CD1 4Å; W211-I242 HydrophobicContact CD2-CG1 4.43Å; W211-I242 HydrophobicContact CE3-CB 4.07Å; W211-I242 HydrophobicContact CE3-CD1 3.8Å; W211-I242 HydrophobicContact CE3-CG1 3.75Å; W211-I242 HydrophobicContact CG-CD1 4.36Å; W211-I242 HydrophobicContact CZ3-CD1 4.3Å; W211-I242 HydrophobicContact CZ3-CG1 4.11Å; E212-I242 CarbonylContact O-C 3.37Å; E212-I242 WeakPolarHBondContact O-CA 3.3Å; I213-I242 HydrophobicContact CG1-CG2 4.05Å; L240-I242 HydrophobicContact CB-CG2 4.32Å
243	R	94.8	Very high	91.9	Very high	99 Å²	99	39.2 Å²	39.2	37%	0.374	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.9	178.6	-177.3	177.3	73.7	145.4	-5.9	110	E212 V214	E212-R243 PolarHBondContact N-O 3.1Å; E212-R243 PolarHBondContact O-N 3.4Å; E212-R243 IonicContact OE1-NH2 3.46Å; E212-R243 IonicContact OE2-CZ 2.65Å; E212-R243 IonicContact OE2-NE 3.04Å; E212-R243 PolarHBondContact OE2-NE 3.34Å; E212-R243 IonicContact OE2-NH2 3.51Å; E212-R243 PolarHBondContact OE2-NH2 3.01Å; V214-R243 HydrophobicContact CG2-CB 3.72Å
244	R	93.9	Very high	92	Very high	5 Å²	5	37.5 Å²	37.5	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	141.7	176.6	-166.9	-176.4	-58.6	-91.3	-1.1	111.2	E68 P159 D161 E210 W211 P246	E68-R244 IonicContact OE1-CZ 2.97Å; E68-R244 IonicContact OE1-NH1 2.91Å; E68-R244 PolarHBondContact OE1-NH1 3.1Å; E68-R244 IonicContact OE1-NH2 3.16Å; E68-R244 PolarHBondContact OE1-NH2 3.45Å; P159-R244 WeakPolarHBondContact O-CD 3.4Å; D161-R244 PolarHBondContact O-N 3.18Å; D161-R244 VanDerWaalsContact O-N 3.08Å; D161-R244 IonicContact OD1-CZ 3.79Å; D161-R244 IonicContact OD1-NE 3.4Å; D161-R244 PolarHBondContact OD1-NE 2.95Å; D161-R244 IonicContact OD1-NH2 2.79Å; D161-R244 IonicContact OD2-CZ 2.68Å; D161-R244 IonicContact OD2-NE 3.54Å; D161-R244 PolarHBondContact OD2-NE 3.18Å; D161-R244 IonicContact OD2-NH2 3.7Å; D161-R244 PolarHBondContact OD2-NH2 3.39Å; E210-R244 HydrophobicContact CG-CG 4.27Å; E210-R244 CarbonylContact O-C 3.5Å; E210-R244 IonicContact OE1-CZ 3.67Å; E210-R244 IonicContact OE1-NH1 2.63Å; E210-R244 PolarHBondContact OE1-NH1 2.78Å; W211-R244 HydrophobicContact CE3-CB 4.13Å; W211-R244 HydrophobicContact CH2-CB 4.11Å; W211-R244 HydrophobicContact CH2-CG 4.45Å; W211-R244 VanDerWaalsContact CH2-CZ 3.45Å; W211-R244 HydrophobicContact CZ3-CB 3.78Å; W211-R244 HydrophobicContact CZ3-CG 4.48Å; R244-P246 VanDerWaalsContact O-CD 3.27Å; R244-P246 WeakPolarHBondContact O-CD 3.23Å
245	K	93.6	Very high	91.9	Very high	71 Å²	71	40.2 Å²	40.2	31%	0.309	20%	0.197	S	C	.	.			trans	-87.8	100.2	166	-65.7	175.4	178.9	170.2	0	108.6	E207 N208 G209 E210 L247	E207-K245 IonicContact OE2-NZ 2.69Å; E207-K245 PolarHBondContact OE2-NZ 2.75Å; N208-K245 PolarHBondContact O-NZ 2.83Å; N208-K245 VanDerWaalsContact O-NZ 3.14Å; G209-K245 WeakPolarHBondContact O-CD 3.24Å; E210-K245 WeakPolarHBondContact O-CB 3.22Å; E210-K245 PolarHBondContact O-N 2.88Å; K245-L247 VanDerWaalsContact C-N 3.28Å; K245-L247 PolarHBondContact O-N 3.11Å; K245-L247 VanDerWaalsContact O-N 3.16Å
246	P	91.8	Very high	91.8	Very high	30 Å²	30	41.3 Å²	41.3	20%	0.195	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.6	-164.8	32.4	-38.3	0	0	0	115.3	P159 F160 R244 F248 Y249 I250	P159-P246 HydrophobicContact CB-CB 4.4Å; P159-P246 HydrophobicContact CG-CB 4.41Å; F160-P246 HydrophobicContact CD1-CB 4.04Å; F160-P246 HydrophobicContact CD1-CG 3.86Å; F160-P246 HydrophobicContact CE1-CB 3.95Å; F160-P246 HydrophobicContact CE1-CG 3.74Å; R244-P246 VanDerWaalsContact O-CD 3.27Å; R244-P246 WeakPolarHBondContact O-CD 3.23Å; P246-F248 VanDerWaalsContact C-N 3.32Å; P246-F248 PolarHBondContact O-N 3.39Å; P246-Y249 PolarHBondContact O-N 3.39Å; P246-I250 HydrophobicContact CB-CD1 4.06Å; P246-I250 HydrophobicContact CB-CG1 4.34Å; P246-I250 HydrophobicContact CG-CD1 3.91Å; P246-I250 WeakPolarHBondContact O-CG1 3.48Å; P246-I250 PolarHBondContact O-N 3.49Å
247	L	90.6	Very high	91.3	Very high	119 Å²	119	41.6 Å²	41.6	62%	0.623	21%	0.207	S	C	*	.	H	α-helix	trans	-57.2	-41.2	-166.3	-171.4	150.6	0	0	0	113.2	K245 Y249 I250 I251	K245-L247 VanDerWaalsContact C-N 3.28Å; K245-L247 PolarHBondContact O-N 3.11Å; K245-L247 VanDerWaalsContact O-N 3.16Å; L247-Y249 VanDerWaalsContact C-N 3.33Å; L247-Y249 PolarHBondContact O-N 2.91Å; L247-I250 PolarHBondContact O-N 3.42Å; L247-I251 HydrophobicContact CD2-CD1 3.55Å; L247-I251 HydrophobicContact CD2-CG1 4.41Å; L247-I251 HydrophobicContact CG-CD1 4.24Å; L247-I251 PolarHBondContact O-N 3.43Å; L247-I251 VanDerWaalsContact O-N 3.1Å
248	F	90.1	Very high	90.9	Very high	106 Å²	106	44.5 Å²	44.5	47%	0.465	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-43.4	177	176.9	-94.6	0	0	0	112.3	P246 N252	P246-F248 VanDerWaalsContact C-N 3.32Å; P246-F248 PolarHBondContact O-N 3.39Å; F248-N252 VanDerWaalsContact CD2-ND2 3.27Å; F248-N252 WeakPolarHBondContact CD2-ND2 3.39Å; F248-N252 WeakPolarHBondContact CE2-ND2 3.41Å; F248-N252 WeakPolarHBondContact O-CB 3.03Å; F248-N252 PolarHBondContact O-N 3.27Å; F248-N252 VanDerWaalsContact O-N 3.08Å; F248-N252 PolarHBondContact O-ND2 2.8Å
249	Y	88.3	Confident	90.5	Very high	13 Å²	13	49.5 Å²	49.5	5%	0.051	25%	0.25	C	S	.	.	H	α-helix	trans	-73.5	-34.9	179.9	-63.6	-84.2	0	0	0	112	F158 P159 E210 P246 L247 I253 L254	F158-Y249 HydrophobicContact CE1-CD1 4.06Å; F158-Y249 AromaticContact CE1-CE1 3.96Å; F158-Y249 HydrophobicContact CE1-CE1 3.96Å; F158-Y249 HydrophobicContact CE2-CE1 4.34Å; F158-Y249 AromaticContact CZ-CD1 3.91Å; F158-Y249 HydrophobicContact CZ-CD1 3.91Å; F158-Y249 AromaticContact CZ-CE1 3.38Å; F158-Y249 HydrophobicContact CZ-CE1 3.38Å; F158-Y249 HydrophobicContact CZ-CE2 4.41Å; F158-Y249 AromaticContact CZ-CZ 3.65Å; P159-Y249 HydrophobicContact CB-CD1 4.38Å; P159-Y249 HydrophobicContact CB-CD2 3.82Å; P159-Y249 HydrophobicContact CB-CG 3.7Å; P159-Y249 HydrophobicContact CG-CG 4.29Å; E210-Y249 PolarHBondContact OE1-OH 3.05Å; P246-Y249 PolarHBondContact O-N 3.39Å; L247-Y249 VanDerWaalsContact C-N 3.33Å; L247-Y249 PolarHBondContact O-N 2.91Å; Y249-I253 HydrophobicContact CD1-CD1 3.74Å; Y249-I253 HydrophobicContact CE1-CD1 4.39Å; Y249-I253 WeakPolarHBondContact O-CA 3.36Å; Y249-I253 VanDerWaalsContact O-CB 3.29Å; Y249-I253 WeakPolarHBondContact O-CB 3.15Å; Y249-I253 PolarHBondContact O-N 3.5Å; Y249-L254 PolarHBondContact O-N 3.42Å
250	I	89.1	Confident	90.1	Very high	61 Å²	61	48.7 Å²	48.7	31%	0.313	25%	0.249	S	C	.	.	I	π-helix	trans	-60	-52.1	175.5	-67.2	168	0	0	0	110.4	F160 P246 L247 L254 V255	F160-I250 HydrophobicContact CE1-CD1 4.09Å; F160-I250 HydrophobicContact CZ-CD1 4.14Å; F160-I250 HydrophobicContact CZ-CG1 4.21Å; P246-I250 HydrophobicContact CB-CD1 4.06Å; P246-I250 HydrophobicContact CB-CG1 4.34Å; P246-I250 HydrophobicContact CG-CD1 3.91Å; P246-I250 WeakPolarHBondContact O-CG1 3.48Å; P246-I250 PolarHBondContact O-N 3.49Å; L247-I250 PolarHBondContact O-N 3.42Å; I250-L254 HydrophobicContact CB-CD1 4.31Å; I250-L254 HydrophobicContact CG1-CD1 3.77Å; I250-L254 WeakPolarHBondContact O-CB 3.47Å; I250-L254 PolarHBondContact O-N 2.79Å; I250-V255 WeakPolarHBondContact O-CG2 3.29Å; I250-V255 PolarHBondContact O-N 3.1Å
251	I	90.9	Very high	89.5	Confident	94 Å²	94	49.1 Å²	49.1	48%	0.482	25%	0.252	S	S	.	.	I	π-helix	trans	-72	-46.9	-175	-63.4	177.1	0	0	0	111.7	L247 P256	L247-I251 HydrophobicContact CD2-CD1 3.55Å; L247-I251 HydrophobicContact CD2-CG1 4.41Å; L247-I251 HydrophobicContact CG-CD1 4.24Å; L247-I251 PolarHBondContact O-N 3.43Å; L247-I251 VanDerWaalsContact O-N 3.1Å; I251-P256 WeakPolarHBondContact O-CD 3.29Å
252	N	86.5	Confident	89	Confident	82 Å²	82	54.5 Å²	54.5	44%	0.439	28%	0.276	S	S	.	.	I	π-helix	trans	-88.4	-19	-170.1	-66.2	-44.5	0	0	0	114.1	F248	F248-N252 VanDerWaalsContact CD2-ND2 3.27Å; F248-N252 WeakPolarHBondContact CD2-ND2 3.39Å; F248-N252 WeakPolarHBondContact CE2-ND2 3.41Å; F248-N252 WeakPolarHBondContact O-CB 3.03Å; F248-N252 PolarHBondContact O-N 3.27Å; F248-N252 VanDerWaalsContact O-N 3.08Å; F248-N252 PolarHBondContact O-ND2 2.8Å
253	I	86	Confident	88.6	Confident	11 Å²	11	58.4 Å²	58.4	6%	0.056	30%	0.295	C	S	.	.	I	π-helix	trans	-120.4	-54.8	-176.5	-48.9	-169.2	0	0	0	111.5	Y249 C257 I295 I309	Y249-I253 HydrophobicContact CD1-CD1 3.74Å; Y249-I253 HydrophobicContact CE1-CD1 4.39Å; Y249-I253 WeakPolarHBondContact O-CA 3.36Å; Y249-I253 VanDerWaalsContact O-CB 3.29Å; Y249-I253 WeakPolarHBondContact O-CB 3.15Å; Y249-I253 PolarHBondContact O-N 3.5Å; I253-C257 WeakPolarHBondContact O-CB 3.44Å; I253-C257 PolarHBondContact O-N 3.39Å; I253-C257 PolarHBondContact O-SG 3.03Å; I253-I295 HydrophobicContact CD1-CG1 4.16Å; I253-I295 HydrophobicContact CG2-CD1 3.43Å; I253-I295 VanDerWaalsContact CG2-CD1 3.43Å; I253-I295 HydrophobicContact CG2-CG1 4.01Å; I253-I309 HydrophobicContact CB-CD1 4.24Å; I253-I309 HydrophobicContact CG2-CD1 3.58Å
254	L	85.7	Confident	88.1	Confident	11 Å²	11	53.8 Å²	53.8	6%	0.058	28%	0.278	C	S	.	.	I	π-helix	trans	-68.6	-46.7	-172.9	-62.5	174.8	0	0	0	112.3	F160 Y249 I250 C257 V258 I309 F489	F160-L254 HydrophobicContact CE2-CD1 4.2Å; F160-L254 HydrophobicContact CZ-CD1 4.26Å; Y249-L254 PolarHBondContact O-N 3.42Å; I250-L254 HydrophobicContact CB-CD1 4.31Å; I250-L254 HydrophobicContact CG1-CD1 3.77Å; I250-L254 WeakPolarHBondContact O-CB 3.47Å; I250-L254 PolarHBondContact O-N 2.79Å; L254-C257 PolarHBondContact O-N 2.97Å; L254-V258 WeakPolarHBondContact O-CG2 3.29Å; L254-V258 PolarHBondContact O-N 2.77Å; L254-I309 HydrophobicContact CD2-CD1 3.96Å; L254-I309 HydrophobicContact CD2-CG1 4.16Å; L254-F489 HydrophobicContact CB-CE1 4.36Å; L254-F489 HydrophobicContact CB-CZ 4.35Å; L254-F489 HydrophobicContact CD1-CD1 4.42Å; L254-F489 HydrophobicContact CD1-CE1 3.58Å; L254-F489 HydrophobicContact CD1-CZ 4.37Å; L254-F489 HydrophobicContact CD2-CE1 3.59Å; L254-F489 HydrophobicContact CD2-CZ 3.82Å; L254-F489 HydrophobicContact CG-CE1 4.02Å; L254-F489 HydrophobicContact CG-CZ 4.39Å
255	V	88.1	Confident	87.8	Confident	73 Å²	73	54.1 Å²	54.1	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-58.4	-52.3	-179.6	168.7	0	0	0	0	112	I250 C257 V258 L259	I250-V255 WeakPolarHBondContact O-CG2 3.29Å; I250-V255 PolarHBondContact O-N 3.1Å; V255-C257 VanDerWaalsContact C-N 3.32Å; V255-C257 PolarHBondContact O-N 3.48Å; V255-V258 PolarHBondContact O-N 3.1Å; V255-L259 HydrophobicContact CG1-CD1 4.1Å; V255-L259 WeakPolarHBondContact O-CG 3.41Å; V255-L259 PolarHBondContact O-N 2.8Å
256	P	88.3	Confident	87.5	Confident	37 Å²	37	54.4 Å²	54.4	24%	0.24	28%	0.284	C	S	.	.	H	α-helix	trans	-57.2	-40.7	175.2	-27.5	35.3	0	0	0	113.8	I251 L259 I260 F291	I251-P256 WeakPolarHBondContact O-CD 3.29Å; P256-L259 PolarHBondContact O-N 2.96Å; P256-I260 VanDerWaalsContact O-CG1 3.26Å; P256-I260 WeakPolarHBondContact O-CG1 3.44Å; P256-I260 PolarHBondContact O-N 2.79Å; P256-F291 HydrophobicContact CB-CE1 4.07Å; P256-F291 HydrophobicContact CB-CZ 3.97Å
257	C	85.1	Confident	87.3	Confident	7 Å²	7	53.1 Å²	53.1	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-68.7	-36.4	-179.1	-66.4	0	0	0	0	112.8	I253 L254 V255 I260 S261 F312 L313	I253-C257 WeakPolarHBondContact O-CB 3.44Å; I253-C257 PolarHBondContact O-N 3.39Å; I253-C257 PolarHBondContact O-SG 3.03Å; L254-C257 PolarHBondContact O-N 2.97Å; V255-C257 VanDerWaalsContact C-N 3.32Å; V255-C257 PolarHBondContact O-N 3.48Å; C257-I260 PolarHBondContact O-N 3.19Å; C257-S261 WeakPolarHBondContact O-CB 3.44Å; C257-S261 PolarHBondContact O-N 2.86Å; C257-S261 PolarHBondContact O-OG 3.3Å; C257-F312 HydrophobicContact CB-CE1 3.59Å; C257-F312 HydrophobicContact CB-CZ 4.21Å; C257-L313 HydrophobicContact CB-CD2 4.4Å
258	V	86.6	Confident	87.1	Confident	65 Å²	65	47.5 Å²	47.5	39%	0.394	25%	0.246	S	C	.	.	H	α-helix	trans	-65.9	-41.2	173.2	171.3	0	0	0	0	110.7	L254 V255 S261 F262 F312 F489	L254-V258 WeakPolarHBondContact O-CG2 3.29Å; L254-V258 PolarHBondContact O-N 2.77Å; V255-V258 PolarHBondContact O-N 3.1Å; V258-S261 WeakPolarHBondContact O-CB 3.43Å; V258-S261 PolarHBondContact O-N 3.29Å; V258-F262 PolarHBondContact O-N 3.35Å; V258-F312 HydrophobicContact CG2-CZ 4.4Å; V258-F489 HydrophobicContact CG2-CE2 4.16Å; V258-F489 HydrophobicContact CG2-CZ 4.32Å
259	L	88.6	Confident	86.9	Confident	107 Å²	107	49.6 Å²	49.6	56%	0.56	25%	0.252	S	S	*	.	H	α-helix	trans	-62.8	-42.8	175.6	-67.7	173.6	0	0	0	112.1	V255 P256 S261 F262 M263	V255-L259 HydrophobicContact CG1-CD1 4.1Å; V255-L259 WeakPolarHBondContact O-CG 3.41Å; V255-L259 PolarHBondContact O-N 2.8Å; P256-L259 PolarHBondContact O-N 2.96Å; L259-S261 VanDerWaalsContact C-N 3.33Å; L259-S261 PolarHBondContact O-N 3.08Å; L259-F262 WeakPolarHBondContact O-CB 3.12Å; L259-F262 PolarHBondContact O-N 3.01Å; L259-M263 WeakPolarHBondContact O-CG 3.27Å; L259-M263 PolarHBondContact O-N 3.44Å
260	I	87	Confident	86.9	Confident	27 Å²	27	51.6 Å²	51.6	14%	0.138	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-41	175.2	-68.7	165.2	0	0	0	110.7	P256 C257 F262 M263 V264 V284 F291	P256-I260 VanDerWaalsContact O-CG1 3.26Å; P256-I260 WeakPolarHBondContact O-CG1 3.44Å; P256-I260 PolarHBondContact O-N 2.79Å; C257-I260 PolarHBondContact O-N 3.19Å; I260-F262 VanDerWaalsContact C-N 3.28Å; I260-F262 PolarHBondContact O-N 2.99Å; I260-M263 WeakPolarHBondContact O-CB 2.84Å; I260-M263 PolarHBondContact O-N 2.89Å; I260-M263 VanDerWaalsContact O-N 3.1Å; I260-V264 PolarHBondContact O-N 2.94Å; I260-V284 HydrophobicContact CG2-CG1 3.9Å; I260-F291 HydrophobicContact CD1-CD2 3.46Å; I260-F291 VanDerWaalsContact CD1-CD2 3.46Å; I260-F291 HydrophobicContact CD1-CE2 3.24Å; I260-F291 HydrophobicContact CD1-CZ 4.12Å
261	S	83.7	Confident	86.8	Confident	11 Å²	11	52.1 Å²	52.1	8%	0.077	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-41.2	174.7	-56.8	0	0	0	0	110.8	C257 V258 L259 M263 V264 M481	C257-S261 WeakPolarHBondContact O-CB 3.44Å; C257-S261 PolarHBondContact O-N 2.86Å; C257-S261 PolarHBondContact O-OG 3.3Å; V258-S261 WeakPolarHBondContact O-CB 3.43Å; V258-S261 PolarHBondContact O-N 3.29Å; L259-S261 VanDerWaalsContact C-N 3.33Å; L259-S261 PolarHBondContact O-N 3.08Å; S261-M263 VanDerWaalsContact C-N 3.34Å; S261-M263 PolarHBondContact O-N 3.06Å; S261-V264 VanDerWaalsContact O-CB 3.29Å; S261-V264 WeakPolarHBondContact O-CB 3.36Å; S261-V264 PolarHBondContact O-N 2.98Å; S261-M481 VanDerWaalsContact C-SD 3.56Å; S261-M481 WeakPolarHBondContact O-CE 3.18Å
262	F	85.2	Confident	86.4	Confident	116 Å²	116	48 Å²	48	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-36.6	174.6	-176.1	-103.5	0	0	0	113.1	V258 L259 I260 V264 N265 L266	V258-F262 PolarHBondContact O-N 3.35Å; L259-F262 WeakPolarHBondContact O-CB 3.12Å; L259-F262 PolarHBondContact O-N 3.01Å; I260-F262 VanDerWaalsContact C-N 3.28Å; I260-F262 PolarHBondContact O-N 2.99Å; F262-V264 PolarHBondContact O-N 3.01Å; F262-N265 PolarHBondContact O-N 3.41Å; F262-N265 VanDerWaalsContact O-N 3.09Å; F262-L266 HydrophobicContact CD1-CD1 4.33Å; F262-L266 HydrophobicContact CD1-CG 4.48Å; F262-L266 HydrophobicContact CE1-CD1 4.02Å; F262-L266 HydrophobicContact CE1-CD2 4.14Å; F262-L266 HydrophobicContact CE1-CG 4.11Å; F262-L266 HydrophobicContact CZ-CD2 4.27Å; F262-L266 PolarHBondContact O-N 3.21Å
263	M	87.4	Confident	86.3	Confident	81 Å²	81	49.5 Å²	49.5	40%	0.399	26%	0.259	S	S	.	.	H	α-helix	trans	-58.1	-32.2	175	-66.5	-66.6	99.6	0	0	112.8	L259 I260 S261 N265 L266 V267 V284	L259-M263 WeakPolarHBondContact O-CG 3.27Å; L259-M263 PolarHBondContact O-N 3.44Å; I260-M263 WeakPolarHBondContact O-CB 2.84Å; I260-M263 PolarHBondContact O-N 2.89Å; I260-M263 VanDerWaalsContact O-N 3.1Å; S261-M263 VanDerWaalsContact C-N 3.34Å; S261-M263 PolarHBondContact O-N 3.06Å; M263-N265 VanDerWaalsContact C-N 3.31Å; M263-N265 PolarHBondContact O-N 2.68Å; M263-L266 HydrophobicContact CE-CD1 3.3Å; M263-L266 HydrophobicContact CE-CG 4.42Å; M263-L266 WeakPolarHBondContact O-CB 3.29Å; M263-L266 PolarHBondContact O-N 3.08Å; M263-L266 HydrophobicContact SD-CD1 3.99Å; M263-V267 PolarHBondContact O-N 3.26Å; M263-V284 HydrophobicContact CB-CG2 4.03Å
264	V	84.5	Confident	86.2	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-39.7	176.8	-177.4	0	0	0	0	111.5	I260 S261 F262 L266 V267 V284 V320 V323 M481	I260-V264 PolarHBondContact O-N 2.94Å; S261-V264 VanDerWaalsContact O-CB 3.29Å; S261-V264 WeakPolarHBondContact O-CB 3.36Å; S261-V264 PolarHBondContact O-N 2.98Å; F262-V264 PolarHBondContact O-N 3.01Å; V264-L266 VanDerWaalsContact C-N 3.3Å; V264-L266 PolarHBondContact O-N 2.97Å; V264-V267 WeakPolarHBondContact O-CB 3.36Å; V264-V267 PolarHBondContact O-N 2.74Å; V264-V284 HydrophobicContact CG2-CG1 3.54Å; V264-V320 HydrophobicContact CB-CG2 4.47Å; V264-V320 HydrophobicContact CG1-CG2 4.22Å; V264-V320 HydrophobicContact CG2-CG2 3.4Å; V264-V323 HydrophobicContact CG1-CB 3.92Å; V264-V323 HydrophobicContact CG1-CG1 3.82Å; V264-V323 HydrophobicContact CG1-CG2 3.59Å; V264-M481 HydrophobicContact CB-CE 3.93Å; V264-M481 HydrophobicContact CG1-CE 4.25Å
265	N	86.9	Confident	86	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.064	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-33.2	178.2	-63.8	-58	0	0	0	111.8	F262 M263 V267 F268 T478 M481	F262-N265 PolarHBondContact O-N 3.41Å; F262-N265 VanDerWaalsContact O-N 3.09Å; M263-N265 VanDerWaalsContact C-N 3.31Å; M263-N265 PolarHBondContact O-N 2.68Å; N265-V267 PolarHBondContact O-N 2.69Å; N265-F268 PolarHBondContact O-N 3.45Å; N265-T478 VanDerWaalsContact CG-OG1 3.31Å; N265-T478 WeakPolarHBondContact OD1-CA 3.4Å; N265-T478 PolarHBondContact OD1-OG1 3.47Å; N265-M481 VanDerWaalsContact ND2-CE 3.29Å; N265-M481 WeakPolarHBondContact ND2-CE 3.34Å; N265-M481 PolarHBondContact ND2-SD 2.69Å; N265-M481 WeakPolarHBondContact OD1-CE 3.19Å
266	L	86.6	Confident	86	Confident	77 Å²	77	55 Å²	55	40%	0.403	30%	0.298	S	S	.	.	H	α-helix	trans	-66.3	-24.2	178.2	-64.5	179.4	0	0	0	112.7	F262 M263 V264 F268 Y269 L270	F262-L266 HydrophobicContact CD1-CD1 4.33Å; F262-L266 HydrophobicContact CD1-CG 4.48Å; F262-L266 HydrophobicContact CE1-CD1 4.02Å; F262-L266 HydrophobicContact CE1-CD2 4.14Å; F262-L266 HydrophobicContact CE1-CG 4.11Å; F262-L266 HydrophobicContact CZ-CD2 4.27Å; F262-L266 PolarHBondContact O-N 3.21Å; M263-L266 HydrophobicContact CE-CD1 3.3Å; M263-L266 HydrophobicContact CE-CG 4.42Å; M263-L266 WeakPolarHBondContact O-CB 3.29Å; M263-L266 PolarHBondContact O-N 3.08Å; M263-L266 HydrophobicContact SD-CD1 3.99Å; V264-L266 VanDerWaalsContact C-N 3.3Å; V264-L266 PolarHBondContact O-N 2.97Å; L266-F268 VanDerWaalsContact C-N 3.25Å; L266-F268 PolarHBondContact O-N 2.93Å; L266-Y269 WeakPolarHBondContact O-CB 3.31Å; L266-Y269 PolarHBondContact O-N 2.87Å; L266-L270 PolarHBondContact O-N 3.42Å
267	V	88.3	Confident	85.9	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-36.8	175.3	-179.6	0	0	0	0	111.5	M263 V264 N265 Y269 L270 K277 V280 A281 C327	M263-V267 PolarHBondContact O-N 3.26Å; V264-V267 WeakPolarHBondContact O-CB 3.36Å; V264-V267 PolarHBondContact O-N 2.74Å; N265-V267 PolarHBondContact O-N 2.69Å; V267-Y269 PolarHBondContact O-N 2.9Å; V267-L270 PolarHBondContact O-N 2.87Å; V267-K277 HydrophobicContact CG1-CG 3.85Å; V267-K277 WeakPolarHBondContact O-CE 3.48Å; V267-V280 HydrophobicContact CG2-CG1 3.89Å; V267-A281 HydrophobicContact CG1-CB 4.06Å; V267-A281 HydrophobicContact CG2-CB 4.45Å; V267-C327 WeakPolarHBondContact CG1-SG 3.25Å
268	F	87.1	Confident	85.9	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.8	176.1	-61.1	-65	0	0	0	113.6	N265 L266 V323 I326 D470 C473 L474 V477	N265-F268 PolarHBondContact O-N 3.45Å; L266-F268 VanDerWaalsContact C-N 3.25Å; L266-F268 PolarHBondContact O-N 2.93Å; F268-V323 HydrophobicContact CE1-CG1 4.1Å; F268-V323 HydrophobicContact CE2-CB 4.33Å; F268-V323 HydrophobicContact CE2-CG1 3.76Å; F268-V323 HydrophobicContact CE2-CG2 3.7Å; F268-V323 HydrophobicContact CZ-CB 3.95Å; F268-V323 HydrophobicContact CZ-CG1 3.47Å; F268-V323 VanDerWaalsContact CZ-CG1 3.47Å; F268-V323 HydrophobicContact CZ-CG2 3.6Å; F268-I326 HydrophobicContact CE1-CB 4.43Å; F268-I326 HydrophobicContact CE1-CG2 3.79Å; F268-I326 HydrophobicContact CZ-CG2 4.41Å; F268-D470 WeakPolarHBondContact CA-OD1 3.46Å; F268-D470 VanDerWaalsContact CD1-OD1 3.29Å; F268-D470 WeakPolarHBondContact CD1-OD1 3.41Å; F268-D470 VanDerWaalsContact O-CG 3.26Å; F268-C473 HydrophobicContact CD1-CB 4.08Å; F268-C473 HydrophobicContact CE1-CB 3.74Å; F268-C473 HydrophobicContact CZ-CB 4.12Å; F268-L474 HydrophobicContact CB-CB 3.86Å; F268-L474 HydrophobicContact CB-CD1 4.08Å; F268-L474 HydrophobicContact CB-CG 4.33Å; F268-L474 HydrophobicContact CG-CB 4.39Å; F268-V477 HydrophobicContact CE2-CB 3.93Å; F268-V477 HydrophobicContact CE2-CG1 4Å; F268-V477 HydrophobicContact CE2-CG2 3.96Å; F268-V477 HydrophobicContact CZ-CG2 4.06Å
269	Y	85.9	Confident	86	Confident	151 Å²	151	54.5 Å²	54.5	59%	0.592	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-21.8	172.5	-164.3	-97.6	0	0	0	112	L266 V267 R471	L266-Y269 WeakPolarHBondContact O-CB 3.31Å; L266-Y269 PolarHBondContact O-N 2.87Å; V267-Y269 PolarHBondContact O-N 2.9Å; Y269-R471 VanDerWaalsContact CD2-NH1 3.34Å; Y269-R471 VanDerWaalsContact CE2-NH2 3.31Å
270	L	87.3	Confident	86.1	Confident	54 Å²	54	52.2 Å²	52.2	28%	0.283	29%	0.287	S	S	.	.	S	Bend	trans	-76.3	126.7	-177.1	-164.3	73.7	0	0	0	111.1	L266 V267 E276 K277	L266-L270 PolarHBondContact O-N 3.42Å; V267-L270 PolarHBondContact O-N 2.87Å; L270-E276 HydrophobicContact CD2-CB 4.11Å; L270-K277 HydrophobicContact CD2-CB 4.22Å
271	P	86.3	Confident	86.1	Confident	73 Å²	73	51.1 Å²	51.1	47%	0.474	28%	0.282	S	S	.	.			trans	-65.5	142.4	177.5	27.8	-34.1	0	0	0	111.1	D273 S274	P271-D273 PolarHBondContact O-N 2.82Å; P271-S274 WeakPolarHBondContact O-CB 3.29Å; P271-S274 PolarHBondContact O-N 2.87Å
272	A	83.6	Confident	86.3	Confident	8 Å²	8	54.6 Å²	54.6	7%	0.066	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-64.6	-24	179	0	0	0	0	0	113.1	S274 G275 L331 H334	A272-S274 PolarHBondContact O-N 3.3Å; A272-G275 PolarHBondContact O-N 3.11Å; A272-L331 HydrophobicContact CB-CD1 4.13Å; A272-H334 HydrophobicContact CB-CB 4.08Å
273	D	83.4	Confident	86.6	Confident	112 Å²	112	52.3 Å²	52.3	60%	0.599	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59.6	-25.1	175.2	-63.6	-48.4	0	0	0	113.3	P271 G275 H334	P271-D273 PolarHBondContact O-N 2.82Å; D273-G275 VanDerWaalsContact C-N 3.28Å; D273-G275 PolarHBondContact O-N 3.4Å; D273-H334 IonicContact OD1-CE1 3.11Å; D273-H334 PolarHBondContact OD1-CE1 2.97Å; D273-H334 IonicContact OD1-NE2 3.6Å; D273-H334 PolarHBondContact OD1-NE2 3.18Å
274	S	84.2	Confident	86.7	Confident	61 Å²	61	49.2 Å²	49.2	43%	0.427	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-72.5	-18	-178.6	-172.7	0	0	0	0	113.5	P271 A272 E276	P271-S274 WeakPolarHBondContact O-CB 3.29Å; P271-S274 PolarHBondContact O-N 2.87Å; A272-S274 PolarHBondContact O-N 3.3Å; S274-E276 PolarHBondContact O-N 3.26Å
275	G	82.7	Confident	86.8	Confident	46 Å²	46	51 Å²	51	47%	0.474	29%	0.292	S	S	.	.	S	Bend	trans	69	-22.6	-175.3	0	0	0	0	0	115.8	A272 D273 K277	A272-G275 PolarHBondContact O-N 3.11Å; D273-G275 VanDerWaalsContact C-N 3.28Å; D273-G275 PolarHBondContact O-N 3.4Å; G275-K277 VanDerWaalsContact C-N 3.27Å; G275-K277 PolarHBondContact O-N 3.4Å
276	E	86.8	Confident	87	Confident	103 Å²	103	55.7 Å²	55.7	48%	0.481	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-5.8	-176.1	-66	-55.2	142.1	0	0	114.8	L270 S274 T278 S279 V280	L270-E276 HydrophobicContact CD2-CB 4.11Å; S274-E276 PolarHBondContact O-N 3.26Å; E276-T278 PolarHBondContact O-N 3.19Å; E276-S279 WeakPolarHBondContact O-CB 3.08Å; E276-S279 PolarHBondContact O-N 3.14Å; E276-S279 WeakPolarHBondContact OE2-CB 3.38Å; E276-V280 WeakPolarHBondContact O-CG2 3.43Å; E276-V280 PolarHBondContact O-N 2.94Å
277	K	86.3	Confident	87.1	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-58.9	-45	-174.2	-174.9	171.3	-175.5	158.4	0	113.4	V267 L270 G275 A281 D470	V267-K277 HydrophobicContact CG1-CG 3.85Å; V267-K277 WeakPolarHBondContact O-CE 3.48Å; L270-K277 HydrophobicContact CD2-CB 4.22Å; G275-K277 VanDerWaalsContact C-N 3.27Å; G275-K277 PolarHBondContact O-N 3.4Å; K277-A281 WeakPolarHBondContact O-CB 3.44Å; K277-A281 PolarHBondContact O-N 3.03Å; K277-D470 IonicContact NZ-OD1 3.37Å; K277-D470 PolarHBondContact NZ-OD1 3.2Å; K277-D470 IonicContact NZ-OD2 2.67Å; K277-D470 PolarHBondContact NZ-OD2 3.47Å
278	T	85.8	Confident	87	Confident	43 Å²	43	54 Å²	54	26%	0.264	31%	0.313	S	S	.	.	H	α-helix	trans	-73	-36.9	178.6	49.6	0	0	0	0	111.7	E276 A281 I282 L331	E276-T278 PolarHBondContact O-N 3.19Å; T278-A281 PolarHBondContact O-N 3.01Å; T278-I282 WeakPolarHBondContact O-CD1 3.33Å; T278-I282 VanDerWaalsContact O-CG1 3.26Å; T278-I282 WeakPolarHBondContact O-CG1 3.25Å; T278-I282 PolarHBondContact O-N 3.17Å; T278-L331 HydrophobicContact CG2-CD2 3.93Å
279	S	89.1	Confident	86.9	Confident	54 Å²	54	55.8 Å²	55.8	38%	0.378	33%	0.325	S	S	.	.	H	α-helix	trans	-57.5	-54	176	-175.6	0	0	0	0	111	E276 A281 I282 S283	E276-S279 WeakPolarHBondContact O-CB 3.08Å; E276-S279 PolarHBondContact O-N 3.14Å; E276-S279 WeakPolarHBondContact OE2-CB 3.38Å; S279-A281 VanDerWaalsContact C-N 3.34Å; S279-A281 PolarHBondContact O-N 3.5Å; S279-I282 PolarHBondContact O-N 3.29Å; S279-S283 PolarHBondContact O-N 3.24Å; S279-S283 PolarHBondContact O-OG 2.8Å; S279-S283 VanDerWaalsContact O-OG 3.11Å
280	V	89.2	Confident	87.1	Confident	60 Å²	60	53.1 Å²	53.1	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-43.2	177.8	177.8	0	0	0	0	111.4	V267 E276 I282 S283 V284	V267-V280 HydrophobicContact CG2-CG1 3.89Å; E276-V280 WeakPolarHBondContact O-CG2 3.43Å; E276-V280 PolarHBondContact O-N 2.94Å; V280-I282 PolarHBondContact O-N 2.95Å; V280-S283 PolarHBondContact O-N 3.42Å; V280-V284 HydrophobicContact CG1-CG2 4.45Å; V280-V284 VanDerWaalsContact O-CG2 3.28Å; V280-V284 WeakPolarHBondContact O-CG2 3.44Å; V280-V284 PolarHBondContact O-N 3.33Å
281	A	87.1	Confident	86.9	Confident	3 Å²	3	53.3 Å²	53.3	3%	0.025	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-42.5	179.3	0	0	0	0	0	112.6	V267 K277 T278 S279 L285 V324	V267-A281 HydrophobicContact CG1-CB 4.06Å; V267-A281 HydrophobicContact CG2-CB 4.45Å; K277-A281 WeakPolarHBondContact O-CB 3.44Å; K277-A281 PolarHBondContact O-N 3.03Å; T278-A281 PolarHBondContact O-N 3.01Å; S279-A281 VanDerWaalsContact C-N 3.34Å; S279-A281 PolarHBondContact O-N 3.5Å; A281-L285 PolarHBondContact O-N 3.14Å; A281-V324 HydrophobicContact CB-CG2 3.94Å
282	I	89.3	Confident	86.7	Confident	85 Å²	85	53 Å²	53	44%	0.436	32%	0.318	S	S	.	.	H	α-helix	trans	-70.1	-41.9	178	-66.3	164.6	0	0	0	110.9	T278 S279 V280 V284 L285 L286	T278-I282 WeakPolarHBondContact O-CD1 3.33Å; T278-I282 VanDerWaalsContact O-CG1 3.26Å; T278-I282 WeakPolarHBondContact O-CG1 3.25Å; T278-I282 PolarHBondContact O-N 3.17Å; S279-I282 PolarHBondContact O-N 3.29Å; V280-I282 PolarHBondContact O-N 2.95Å; I282-V284 VanDerWaalsContact C-N 3.28Å; I282-V284 PolarHBondContact O-N 3.26Å; I282-L285 WeakPolarHBondContact O-CB 3.19Å; I282-L285 PolarHBondContact O-N 3.28Å; I282-L286 HydrophobicContact CG2-CD1 4.22Å; I282-L286 HydrophobicContact CG2-CG 4.49Å; I282-L286 WeakPolarHBondContact O-CG 3.43Å; I282-L286 PolarHBondContact O-N 3.25Å
283	S	90.6	Very high	86.6	Confident	68 Å²	68	58 Å²	58	48%	0.476	34%	0.342	S	S	.	.	H	α-helix	trans	-60.3	-38.6	176.4	-62.6	0	0	0	0	112.2	S279 V280 L286 A287	S279-S283 PolarHBondContact O-N 3.24Å; S279-S283 PolarHBondContact O-OG 2.8Å; S279-S283 VanDerWaalsContact O-OG 3.11Å; V280-S283 PolarHBondContact O-N 3.42Å; S283-L286 PolarHBondContact O-N 3.39Å; S283-A287 WeakPolarHBondContact O-CB 3.34Å; S283-A287 PolarHBondContact O-N 2.8Å
284	V	89.3	Confident	86.6	Confident	15 Å²	15	56.9 Å²	56.9	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-42.5	175.4	170.3	0	0	0	0	111.5	I260 M263 V264 V280 I282 L286 A287 Q288 V320	I260-V284 HydrophobicContact CG2-CG1 3.9Å; M263-V284 HydrophobicContact CB-CG2 4.03Å; V264-V284 HydrophobicContact CG2-CG1 3.54Å; V280-V284 HydrophobicContact CG1-CG2 4.45Å; V280-V284 VanDerWaalsContact O-CG2 3.28Å; V280-V284 WeakPolarHBondContact O-CG2 3.44Å; V280-V284 PolarHBondContact O-N 3.33Å; I282-V284 VanDerWaalsContact C-N 3.28Å; I282-V284 PolarHBondContact O-N 3.26Å; V284-L286 PolarHBondContact O-N 2.96Å; V284-A287 PolarHBondContact O-N 3.29Å; V284-Q288 WeakPolarHBondContact O-CB 3.45Å; V284-Q288 PolarHBondContact O-N 3.23Å; V284-V320 HydrophobicContact CG1-CG1 4.38Å; V284-V320 HydrophobicContact CG1-CG2 4.42Å
285	L	87.4	Confident	86.4	Confident	41 Å²	41	54.3 Å²	54.3	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-42.9	175.2	-177.9	67	0	0	0	112.3	A281 I282 Q288 S289 M317 V320	A281-L285 PolarHBondContact O-N 3.14Å; I282-L285 WeakPolarHBondContact O-CB 3.19Å; I282-L285 PolarHBondContact O-N 3.28Å; L285-Q288 PolarHBondContact O-N 3.11Å; L285-S289 WeakPolarHBondContact O-CB 3.44Å; L285-S289 PolarHBondContact O-N 3.43Å; L285-S289 PolarHBondContact O-OG 3.37Å; L285-M317 HydrophobicContact CD1-CE 3.78Å; L285-M317 HydrophobicContact CD1-SD 4.04Å; L285-V320 HydrophobicContact CB-CG1 3.8Å; L285-V320 HydrophobicContact CD1-CB 4.26Å; L285-V320 HydrophobicContact CD1-CG1 3.82Å; L285-V320 HydrophobicContact CG-CG1 4.41Å
286	L	90.2	Very high	86.1	Confident	110 Å²	110	55.6 Å²	55.6	58%	0.576	32%	0.319	S	S	*	.	H	α-helix	trans	-64.4	-47.3	176.7	-74.4	173.1	0	0	0	111.5	I282 S283 V284 Q288 S289 V290	I282-L286 HydrophobicContact CG2-CD1 4.22Å; I282-L286 HydrophobicContact CG2-CG 4.49Å; I282-L286 WeakPolarHBondContact O-CG 3.43Å; I282-L286 PolarHBondContact O-N 3.25Å; S283-L286 PolarHBondContact O-N 3.39Å; V284-L286 PolarHBondContact O-N 2.96Å; L286-Q288 VanDerWaalsContact C-N 3.3Å; L286-Q288 PolarHBondContact O-N 2.84Å; L286-S289 WeakPolarHBondContact O-CB 3.34Å; L286-S289 PolarHBondContact O-N 3.42Å; L286-V290 WeakPolarHBondContact O-CG2 3.43Å; L286-V290 PolarHBondContact O-N 3.28Å
287	A	89.3	Confident	85.7	Confident	37 Å²	37	58.9 Å²	58.9	31%	0.306	33%	0.332	S	S	.	.	H	α-helix	trans	-56.4	-47.3	176.5	0	0	0	0	0	110.7	S283 V284 S289 V290 F291	S283-A287 WeakPolarHBondContact O-CB 3.34Å; S283-A287 PolarHBondContact O-N 2.8Å; V284-A287 PolarHBondContact O-N 3.29Å; A287-S289 VanDerWaalsContact C-N 3.33Å; A287-S289 PolarHBondContact O-N 3.36Å; A287-V290 PolarHBondContact O-N 3.36Å; A287-F291 VanDerWaalsContact O-CD2 3.25Å; A287-F291 WeakPolarHBondContact O-CD2 3.38Å; A287-F291 PolarHBondContact O-N 3.32Å
288	Q	86.1	Confident	85.3	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-63	-37.8	178.5	-169.3	166.5	-2.9	0	0	113.3	V284 L285 L286 V290 F291 L292 L313 M317	V284-Q288 WeakPolarHBondContact O-CB 3.45Å; V284-Q288 PolarHBondContact O-N 3.23Å; L285-Q288 PolarHBondContact O-N 3.11Å; L286-Q288 VanDerWaalsContact C-N 3.3Å; L286-Q288 PolarHBondContact O-N 2.84Å; Q288-V290 VanDerWaalsContact C-N 3.34Å; Q288-V290 PolarHBondContact O-N 3.04Å; Q288-F291 PolarHBondContact O-N 3.3Å; Q288-L292 PolarHBondContact O-N 3.33Å; Q288-L313 PolarHBondContact NE2-O 3.48Å; Q288-M317 HydrophobicContact CB-SD 3.83Å; Q288-M317 HydrophobicContact CG-CG 3.99Å; Q288-M317 HydrophobicContact CG-SD 3.55Å; Q288-M317 VanDerWaalsContact CG-SD 3.55Å
289	S	86.2	Confident	84.9	Confident	37 Å²	37	64 Å²	64	26%	0.259	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-39.5	175	-58.4	0	0	0	0	112	L285 L286 A287 L292 L293 M317	L285-S289 WeakPolarHBondContact O-CB 3.44Å; L285-S289 PolarHBondContact O-N 3.43Å; L285-S289 PolarHBondContact O-OG 3.37Å; L286-S289 WeakPolarHBondContact O-CB 3.34Å; L286-S289 PolarHBondContact O-N 3.42Å; A287-S289 VanDerWaalsContact C-N 3.33Å; A287-S289 PolarHBondContact O-N 3.36Å; S289-L292 PolarHBondContact O-N 2.88Å; S289-L293 WeakPolarHBondContact O-CG 3.01Å; S289-L293 PolarHBondContact O-N 2.91Å; S289-L293 VanDerWaalsContact O-N 3.14Å; S289-M317 VanDerWaalsContact OG-CE 3.31Å; S289-M317 WeakPolarHBondContact OG-CE 3.43Å
290	V	88.8	Confident	84.2	Confident	96 Å²	96	62.1 Å²	62.1	58%	0.582	33%	0.334	S	S	*	.	H	α-helix	trans	-65.1	-42	175.5	173.3	0	0	0	0	111.4	L286 A287 Q288 L292 L293 L294	L286-V290 WeakPolarHBondContact O-CG2 3.43Å; L286-V290 PolarHBondContact O-N 3.28Å; A287-V290 PolarHBondContact O-N 3.36Å; Q288-V290 VanDerWaalsContact C-N 3.34Å; Q288-V290 PolarHBondContact O-N 3.04Å; V290-L292 VanDerWaalsContact C-N 3.33Å; V290-L292 PolarHBondContact O-N 2.85Å; V290-L293 PolarHBondContact O-N 3.22Å; V290-L294 PolarHBondContact O-N 3.22Å
291	F	83.1	Confident	83.3	Confident	57 Å²	57	64.7 Å²	64.7	25%	0.25	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-39.6	175.4	-84.9	-76.5	0	0	0	112.4	P256 I260 A287 Q288 L293 L294 I295	P256-F291 HydrophobicContact CB-CE1 4.07Å; P256-F291 HydrophobicContact CB-CZ 3.97Å; I260-F291 HydrophobicContact CD1-CD2 3.46Å; I260-F291 VanDerWaalsContact CD1-CD2 3.46Å; I260-F291 HydrophobicContact CD1-CE2 3.24Å; I260-F291 HydrophobicContact CD1-CZ 4.12Å; A287-F291 VanDerWaalsContact O-CD2 3.25Å; A287-F291 WeakPolarHBondContact O-CD2 3.38Å; A287-F291 PolarHBondContact O-N 3.32Å; Q288-F291 PolarHBondContact O-N 3.3Å; F291-L293 PolarHBondContact O-N 2.91Å; F291-L294 PolarHBondContact O-N 3.46Å; F291-I295 WeakPolarHBondContact O-CD1 3.47Å; F291-I295 WeakPolarHBondContact O-CG1 3.44Å; F291-I295 PolarHBondContact O-N 3.43Å
292	L	82.2	Confident	82.7	Confident	68 Å²	68	66.9 Å²	66.9	36%	0.356	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-44.2	174.4	-178.1	65.9	0	0	0	111.9	Q288 S289 V290 L294 I295 S296 L313	Q288-L292 PolarHBondContact O-N 3.33Å; S289-L292 PolarHBondContact O-N 2.88Å; V290-L292 VanDerWaalsContact C-N 3.33Å; V290-L292 PolarHBondContact O-N 2.85Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 2.93Å; L292-I295 PolarHBondContact O-N 3Å; L292-S296 PolarHBondContact O-N 3.32Å; L292-L313 HydrophobicContact CD1-CB 4.03Å; L292-L313 HydrophobicContact CD1-CD1 4.2Å
293	L	82.6	Confident	82.1	Confident	111 Å²	111	68.6 Å²	68.6	58%	0.581	39%	0.394	S	S	*	.	H	α-helix	trans	-64.8	-33.9	177.1	-71.6	173.7	0	0	0	113.2	S289 V290 F291 I295 S296	S289-L293 WeakPolarHBondContact O-CG 3.01Å; S289-L293 PolarHBondContact O-N 2.91Å; S289-L293 VanDerWaalsContact O-N 3.14Å; V290-L293 PolarHBondContact O-N 3.22Å; F291-L293 PolarHBondContact O-N 2.91Å; L293-I295 VanDerWaalsContact C-N 3.29Å; L293-S296 PolarHBondContact O-OG 3.17Å
294	L	82.5	Confident	81.4	Confident	90 Å²	90	73.8 Å²	73.8	47%	0.471	41%	0.413	S	S	.	.	H	α-helix	trans	-64.7	-38.3	175.9	-172.8	113.9	0	0	0	111.1	V290 F291 L292	V290-L294 PolarHBondContact O-N 3.22Å; F291-L294 PolarHBondContact O-N 3.46Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 2.93Å
295	I	80.1	Confident	80.8	Confident	6 Å²	6	74.4 Å²	74.4	3%	0.031	42%	0.42	C	S	.	.	H	α-helix	trans	-79.4	-36.3	-176.1	-71.2	159	0	0	0	112	I253 F291 L292 L293 K297 R298 L299 I309 L313	I253-I295 HydrophobicContact CD1-CG1 4.16Å; I253-I295 HydrophobicContact CG2-CD1 3.43Å; I253-I295 VanDerWaalsContact CG2-CD1 3.43Å; I253-I295 HydrophobicContact CG2-CG1 4.01Å; F291-I295 WeakPolarHBondContact O-CD1 3.47Å; F291-I295 WeakPolarHBondContact O-CG1 3.44Å; F291-I295 PolarHBondContact O-N 3.43Å; L292-I295 PolarHBondContact O-N 3Å; L293-I295 VanDerWaalsContact C-N 3.29Å; I295-K297 PolarHBondContact O-N 2.95Å; I295-K297 VanDerWaalsContact O-N 3.09Å; I295-R298 PolarHBondContact O-N 3.35Å; I295-L299 HydrophobicContact CG2-CD1 3.53Å; I295-L299 PolarHBondContact O-N 2.78Å; I295-I309 HydrophobicContact CD1-CD1 4.37Å; I295-I309 HydrophobicContact CD1-CG1 4.5Å; I295-I309 HydrophobicContact CG2-CG2 4Å; I295-L313 HydrophobicContact CD1-CD1 3.17Å; I295-L313 HydrophobicContact CD1-CG 4.48Å; I295-L313 HydrophobicContact CG1-CD1 4.43Å
296	S	76.6	Confident	80.6	Confident	73 Å²	73	77.3 Å²	77.3	51%	0.51	44%	0.435	S	S	.	.	H	α-helix	trans	-61.3	-20	176.1	74.8	0	0	0	0	113	L292 L293	L292-S296 PolarHBondContact O-N 3.32Å; L293-S296 PolarHBondContact O-OG 3.17Å
297	K	78.6	Confident	80.5	Confident	173 Å²	173	73 Å²	73	75%	0.752	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-13	174.3	-67.6	-178.5	179.1	-177.5	0	114.1	I295	I295-K297 PolarHBondContact O-N 2.95Å; I295-K297 VanDerWaalsContact O-N 3.09Å
298	R	77.6	Confident	80.4	Confident	128 Å²	128	71.5 Å²	71.5	48%	0.483	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-13.5	-177.4	-62.5	-62.2	-168.8	112.2	0.8	113.2	I295	I295-R298 PolarHBondContact O-N 3.35Å
299	L	76.4	Confident	80.4	Confident	24 Å²	24	71.3 Å²	71.3	13%	0.126	40%	0.4	C	S	.	.	S	Bend	trans	-108.5	144.6	-178.3	-68.6	155.3	0	0	0	109.3	F158 I295 P307 I309	F158-L299 HydrophobicContact CB-CD2 4.35Å; F158-L299 HydrophobicContact CD1-CD2 3.69Å; F158-L299 HydrophobicContact CD2-CD2 3.96Å; F158-L299 HydrophobicContact CE1-CD2 3.84Å; F158-L299 HydrophobicContact CE1-CG 4.46Å; F158-L299 HydrophobicContact CE2-CD2 4.09Å; F158-L299 HydrophobicContact CG-CD2 3.73Å; F158-L299 HydrophobicContact CZ-CD2 4.02Å; I295-L299 HydrophobicContact CG2-CD1 3.53Å; I295-L299 PolarHBondContact O-N 2.78Å; L299-P307 HydrophobicContact CD1-CB 4.35Å; L299-P307 HydrophobicContact CD1-CG 4.02Å; L299-P307 HydrophobicContact CD2-CB 4.44Å; L299-P307 HydrophobicContact CD2-CG 4.18Å; L299-I309 HydrophobicContact CD1-CG2 4.25Å
300	P	75.3	Confident	80.3	Confident	14 Å²	14	70.2 Å²	70.2	9%	0.091	39%	0.394	C	S	.	.			trans	-63.2	149.8	170.1	27.7	-33.6	0	0	0	110.4	E68 V155 T302	E68-P300 HydrophobicContact CB-CG 4.38Å; E68-P300 WeakPolarHBondContact O-CB 3.45Å; E68-P300 WeakPolarHBondContact O-CG 3.46Å; V155-P300 HydrophobicContact CG1-CG 3.94Å; P300-T302 HydrophobicContact CB-CG2 4.1Å; P300-T302 HydrophobicContact CG-CG2 4.24Å; P300-T302 PolarHBondContact O-N 3.01Å
301	A	71.4	Confident	80.2	Confident	115 Å²	115	69.7 Å²	69.7	95%	0.95	38%	0.384	S	S	*	.			trans	-78.8	59.1	176.9	0	0	0	0	0	111.5
302	T	73.9	Confident	80.4	Confident	48 Å²	48	67.3 Å²	67.3	29%	0.294	37%	0.373	S	S	.	.			trans	-92.2	138.5	177.3	58.7	0	0	0	0	111.4	P300	P300-T302 HydrophobicContact CB-CG2 4.1Å; P300-T302 HydrophobicContact CG-CG2 4.24Å; P300-T302 PolarHBondContact O-N 3.01Å
303	S	75.6	Confident	80.5	Confident	121 Å²	121	64.2 Å²	64.2	85%	0.846	36%	0.357	S	S	*	.	S	Bend	trans	-97.1	-0.6	179.3	55.7	0	0	0	0	113.8
304	M	75.6	Confident	80.7	Confident	177 Å²	177	63.8 Å²	63.8	87%	0.872	36%	0.355	S	S	*	.	S	Bend	trans	-69.3	-35.6	-175	-63.8	-63.3	-76.1	0	0	112.8
305	A	78.6	Confident	81	Confident	28 Å²	28	62.3 Å²	62.3	23%	0.231	35%	0.345	C	S	.	.			trans	-155.5	147.1	177.9	0	0	0	0	0	111.3	V155	V155-A305 WeakPolarHBondContact CG2-O 3.41Å
306	I	82.6	Confident	81.4	Confident	102 Å²	102	62.3 Å²	62.3	52%	0.523	35%	0.346	S	S	.	.			trans	-82.7	126.1	171.5	-56	173.2	0	0	0	108.5	K311	I306-K311 HydrophobicContact CB-CG 4.24Å; I306-K311 HydrophobicContact CG2-CG 3.86Å; I306-K311 VanDerWaalsContact O-CE 3.28Å; I306-K311 WeakPolarHBondContact O-CE 3.28Å
307	P	88.2	Confident	81.9	Confident	21 Å²	21	60.6 Å²	60.6	14%	0.136	33%	0.331	C	S	.	.			trans	-60	149.5	178.3	-22.6	32.6	0	0	0	113.1	V155 F158 L299 I309 G310 K311	V155-P307 HydrophobicContact CB-CG 4.01Å; V155-P307 HydrophobicContact CG2-CG 4.02Å; V155-P307 VanDerWaalsContact O-CA 3.25Å; V155-P307 WeakPolarHBondContact O-CA 3.39Å; V155-P307 WeakPolarHBondContact O-CB 3.38Å; F158-P307 HydrophobicContact CB-CB 4.37Å; L299-P307 HydrophobicContact CD1-CB 4.35Å; L299-P307 HydrophobicContact CD1-CG 4.02Å; L299-P307 HydrophobicContact CD2-CB 4.44Å; L299-P307 HydrophobicContact CD2-CG 4.18Å; P307-I309 VanDerWaalsContact C-N 3.3Å; P307-I309 HydrophobicContact CB-CG2 4.29Å; P307-I309 PolarHBondContact O-N 2.91Å; P307-G310 CarbonylContact O-C 3.57Å; P307-G310 WeakPolarHBondContact O-CA 3.12Å; P307-G310 PolarHBondContact O-N 2.88Å; P307-K311 PolarHBondContact O-N 3.42Å
308	L	87.2	Confident	82.4	Confident	4 Å²	4	56 Å²	56	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-55.6	-44.3	178.9	-168.8	74.9	0	0	0	112.1	T156 F160 G310 K311 F312 I488 Q491 G492	T156-L308 PolarHBondContact O-N 3.47Å; F160-L308 HydrophobicContact CD2-CD2 4.33Å; L308-G310 VanDerWaalsContact C-N 3.28Å; L308-G310 PolarHBondContact O-N 3.09Å; L308-K311 WeakPolarHBondContact O-CB 3.34Å; L308-K311 PolarHBondContact O-N 3.23Å; L308-F312 PolarHBondContact O-N 3.38Å; L308-I488 HydrophobicContact CD1-CG2 3.74Å; L308-I488 HydrophobicContact CD2-CG2 4.39Å; L308-I488 HydrophobicContact CG-CG2 3.73Å; L308-Q491 HydrophobicContact CD1-CB 4.33Å; L308-G492 VanDerWaalsContact CD2-CA 3.48Å
309	I	85.4	Confident	83	Confident	5 Å²	5	51 Å²	51	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-63.1	-35.1	175	-157.2	162.4	0	0	0	112.5	F158 I253 L254 I295 L299 P307 F312 L313	F158-I309 HydrophobicContact CD1-CG2 3.87Å; F158-I309 HydrophobicContact CE1-CG2 4.31Å; F158-I309 PolarHBondContact O-N 3.19Å; I253-I309 HydrophobicContact CB-CD1 4.24Å; I253-I309 HydrophobicContact CG2-CD1 3.58Å; L254-I309 HydrophobicContact CD2-CD1 3.96Å; L254-I309 HydrophobicContact CD2-CG1 4.16Å; I295-I309 HydrophobicContact CD1-CD1 4.37Å; I295-I309 HydrophobicContact CD1-CG1 4.5Å; I295-I309 HydrophobicContact CG2-CG2 4Å; L299-I309 HydrophobicContact CD1-CG2 4.25Å; P307-I309 VanDerWaalsContact C-N 3.3Å; P307-I309 HydrophobicContact CB-CG2 4.29Å; P307-I309 PolarHBondContact O-N 2.91Å; I309-F312 PolarHBondContact O-N 2.94Å; I309-L313 WeakPolarHBondContact O-CG 3.48Å; I309-L313 PolarHBondContact O-N 2.78Å
310	G	85	Confident	83.5	Confident	14 Å²	14	50.1 Å²	50.1	14%	0.144	30%	0.295	C	S	.	.	H	α-helix	trans	-68.1	-42.4	175.1	0	0	0	0	0	111.9	P307 L308 F312 L313 L314	P307-G310 CarbonylContact O-C 3.57Å; P307-G310 WeakPolarHBondContact O-CA 3.12Å; P307-G310 PolarHBondContact O-N 2.88Å; L308-G310 VanDerWaalsContact C-N 3.28Å; L308-G310 PolarHBondContact O-N 3.09Å; G310-F312 VanDerWaalsContact C-N 3.32Å; G310-F312 PolarHBondContact O-N 3.36Å; G310-L313 PolarHBondContact O-N 3.47Å; G310-L314 VanDerWaalsContact O-CB 3.26Å; G310-L314 WeakPolarHBondContact O-CB 3.14Å; G310-L314 PolarHBondContact O-N 3.18Å
311	K	86.4	Confident	84.2	Confident	85 Å²	85	52.6 Å²	52.6	37%	0.37	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-43.4	173.1	-69.9	174.9	-178.3	165.6	0	111.3	I306 P307 L308 F315	I306-K311 HydrophobicContact CB-CG 4.24Å; I306-K311 HydrophobicContact CG2-CG 3.86Å; I306-K311 VanDerWaalsContact O-CE 3.28Å; I306-K311 WeakPolarHBondContact O-CE 3.28Å; P307-K311 PolarHBondContact O-N 3.42Å; L308-K311 WeakPolarHBondContact O-CB 3.34Å; L308-K311 PolarHBondContact O-N 3.23Å; K311-F315 VanDerWaalsContact O-CB 3.23Å; K311-F315 WeakPolarHBondContact O-CB 3.23Å; K311-F315 PolarHBondContact O-N 3.49Å
312	F	86.8	Confident	85.1	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-47.8	176.3	171.6	-122.6	0	0	0	112.6	C257 V258 L308 I309 G310 F315 G316 T485 I488	C257-F312 HydrophobicContact CB-CE1 3.59Å; C257-F312 HydrophobicContact CB-CZ 4.21Å; V258-F312 HydrophobicContact CG2-CZ 4.4Å; L308-F312 PolarHBondContact O-N 3.38Å; I309-F312 PolarHBondContact O-N 2.94Å; G310-F312 VanDerWaalsContact C-N 3.32Å; G310-F312 PolarHBondContact O-N 3.36Å; F312-F315 PolarHBondContact O-N 3.09Å; F312-G316 PolarHBondContact O-N 3.1Å; F312-T485 HydrophobicContact CD2-CG2 4.23Å; F312-T485 HydrophobicContact CE2-CG2 3.46Å; F312-T485 VanDerWaalsContact CE2-CG2 3.46Å; F312-T485 HydrophobicContact CZ-CG2 4.3Å; F312-I488 HydrophobicContact CB-CD1 4.27Å; F312-I488 HydrophobicContact CB-CG2 4.12Å; F312-I488 HydrophobicContact CD2-CD1 4.34Å
313	L	85.1	Confident	85.9	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-69.1	-37.9	-179.8	-70.9	168.4	0	0	0	112.8	C257 Q288 L292 I295 I309 G310 G316 M317	C257-L313 HydrophobicContact CB-CD2 4.4Å; Q288-L313 PolarHBondContact NE2-O 3.48Å; L292-L313 HydrophobicContact CD1-CB 4.03Å; L292-L313 HydrophobicContact CD1-CD1 4.2Å; I295-L313 HydrophobicContact CD1-CD1 3.17Å; I295-L313 HydrophobicContact CD1-CG 4.48Å; I295-L313 HydrophobicContact CG1-CD1 4.43Å; I309-L313 WeakPolarHBondContact O-CG 3.48Å; I309-L313 PolarHBondContact O-N 2.78Å; G310-L313 PolarHBondContact O-N 3.47Å; L313-G316 PolarHBondContact O-N 2.91Å; L313-M317 WeakPolarHBondContact O-CB 3.02Å; L313-M317 VanDerWaalsContact O-CG 3.26Å; L313-M317 WeakPolarHBondContact O-CG 3.28Å; L313-M317 PolarHBondContact O-N 2.79Å
314	L	86.5	Confident	86.5	Confident	103 Å²	103	46 Å²	46	54%	0.539	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-44.4	174.8	-172.5	142.7	0	0	0	111	G310 G316 M317 V318	G310-L314 VanDerWaalsContact O-CB 3.26Å; G310-L314 WeakPolarHBondContact O-CB 3.14Å; G310-L314 PolarHBondContact O-N 3.18Å; L314-G316 VanDerWaalsContact C-N 3.33Å; L314-G316 PolarHBondContact O-N 3.27Å; L314-M317 PolarHBondContact O-N 3.23Å; L314-V318 HydrophobicContact CD2-CG2 4.36Å; L314-V318 WeakPolarHBondContact O-CG2 3.23Å; L314-V318 PolarHBondContact O-N 2.92Å
315	F	88.6	Confident	87.3	Confident	59 Å²	59	41.2 Å²	41.2	26%	0.259	23%	0.227	S	C	.	.	H	α-helix	trans	-55.7	-48.6	172.3	168.6	-104.9	0	0	0	111.3	K311 F312 M317 V318 L319 V480 I488	K311-F315 VanDerWaalsContact O-CB 3.23Å; K311-F315 WeakPolarHBondContact O-CB 3.23Å; K311-F315 PolarHBondContact O-N 3.49Å; F312-F315 PolarHBondContact O-N 3.09Å; F315-M317 PolarHBondContact O-N 3.42Å; F315-V318 PolarHBondContact O-N 3.25Å; F315-L319 WeakPolarHBondContact O-CB 3.35Å; F315-L319 PolarHBondContact O-N 2.82Å; F315-V480 HydrophobicContact CE2-CG1 4.41Å; F315-V480 HydrophobicContact CZ-CG1 4.13Å; F315-I488 HydrophobicContact CD1-CD1 4.42Å
316	G	87.2	Confident	87.8	Confident	5 Å²	5	42 Å²	42	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-41.8	177.1	0	0	0	0	0	112.6	F312 L313 L314 V318 L319 V320	F312-G316 PolarHBondContact O-N 3.1Å; L313-G316 PolarHBondContact O-N 2.91Å; L314-G316 VanDerWaalsContact C-N 3.33Å; L314-G316 PolarHBondContact O-N 3.27Å; G316-V318 PolarHBondContact O-N 3.05Å; G316-L319 WeakPolarHBondContact O-CB 3.34Å; G316-L319 PolarHBondContact O-N 3.4Å; G316-V320 WeakPolarHBondContact O-CG2 3.08Å; G316-V320 PolarHBondContact O-N 2.92Å
317	M	87.4	Confident	88.1	Confident	38 Å²	38	37.2 Å²	37.2	19%	0.187	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-42.9	-179.9	-81.2	-66.7	-66	0	0	111.5	L285 Q288 S289 L313 L314 F315 T321	L285-M317 HydrophobicContact CD1-CE 3.78Å; L285-M317 HydrophobicContact CD1-SD 4.04Å; Q288-M317 HydrophobicContact CB-SD 3.83Å; Q288-M317 HydrophobicContact CG-CG 3.99Å; Q288-M317 HydrophobicContact CG-SD 3.55Å; Q288-M317 VanDerWaalsContact CG-SD 3.55Å; S289-M317 VanDerWaalsContact OG-CE 3.31Å; S289-M317 WeakPolarHBondContact OG-CE 3.43Å; L313-M317 WeakPolarHBondContact O-CB 3.02Å; L313-M317 VanDerWaalsContact O-CG 3.26Å; L313-M317 WeakPolarHBondContact O-CG 3.28Å; L313-M317 PolarHBondContact O-N 2.79Å; L314-M317 PolarHBondContact O-N 3.23Å; F315-M317 PolarHBondContact O-N 3.42Å; M317-T321 WeakPolarHBondContact O-CB 3.09Å; M317-T321 PolarHBondContact O-N 3.11Å; M317-T321 PolarHBondContact O-OG1 2.91Å
318	V	90.1	Very high	88.2	Confident	77 Å²	77	40.1 Å²	40.1	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-46.7	173.6	172.8	0	0	0	0	110.2	L314 F315 G316 T321 M322	L314-V318 HydrophobicContact CD2-CG2 4.36Å; L314-V318 WeakPolarHBondContact O-CG2 3.23Å; L314-V318 PolarHBondContact O-N 2.92Å; F315-V318 PolarHBondContact O-N 3.25Å; G316-V318 PolarHBondContact O-N 3.05Å; V318-T321 PolarHBondContact O-N 3.23Å; V318-M322 WeakPolarHBondContact O-CG 3.36Å; V318-M322 PolarHBondContact O-N 3.27Å
319	L	89	Confident	88.3	Confident	23 Å²	23	44.1 Å²	44.1	12%	0.12	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-49.2	178.5	-167.6	84.7	0	0	0	111.6	F315 G316 T321 M322 V323 V477 V480 M481	F315-L319 WeakPolarHBondContact O-CB 3.35Å; F315-L319 PolarHBondContact O-N 2.82Å; G316-L319 WeakPolarHBondContact O-CB 3.34Å; G316-L319 PolarHBondContact O-N 3.4Å; L319-T321 VanDerWaalsContact C-N 3.34Å; L319-T321 PolarHBondContact O-N 3Å; L319-M322 WeakPolarHBondContact O-CB 3.29Å; L319-M322 PolarHBondContact O-N 3.04Å; L319-V323 WeakPolarHBondContact O-CG2 3.29Å; L319-V323 PolarHBondContact O-N 3.45Å; L319-V477 HydrophobicContact CD1-CG1 4.27Å; L319-V477 HydrophobicContact CD2-CG1 4.16Å; L319-V477 HydrophobicContact CG-CG1 4.26Å; L319-V480 HydrophobicContact CD1-CG1 4.01Å; L319-M481 HydrophobicContact CD2-CB 3.94Å; L319-M481 HydrophobicContact CD2-CE 3.6Å; L319-M481 HydrophobicContact CD2-CG 3.99Å
320	V	88.3	Confident	88.5	Confident	4 Å²	4	44 Å²	44	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-40.8	179.7	175.6	0	0	0	0	111.5	V264 V284 L285 G316 M322 V323 V324	V264-V320 HydrophobicContact CB-CG2 4.47Å; V264-V320 HydrophobicContact CG1-CG2 4.22Å; V264-V320 HydrophobicContact CG2-CG2 3.4Å; V284-V320 HydrophobicContact CG1-CG1 4.38Å; V284-V320 HydrophobicContact CG1-CG2 4.42Å; L285-V320 HydrophobicContact CB-CG1 3.8Å; L285-V320 HydrophobicContact CD1-CB 4.26Å; L285-V320 HydrophobicContact CD1-CG1 3.82Å; L285-V320 HydrophobicContact CG-CG1 4.41Å; G316-V320 WeakPolarHBondContact O-CG2 3.08Å; G316-V320 PolarHBondContact O-N 2.92Å; V320-M322 VanDerWaalsContact C-N 3.3Å; V320-M322 PolarHBondContact O-N 3.27Å; V320-V323 PolarHBondContact O-N 2.8Å; V320-V323 VanDerWaalsContact O-N 3.13Å; V320-V324 HydrophobicContact CG1-CG2 4.41Å; V320-V324 WeakPolarHBondContact O-CG2 3.43Å; V320-V324 PolarHBondContact O-N 3.41Å
321	T	89.9	Confident	88.7	Confident	66 Å²	66	45.3 Å²	45.3	41%	0.405	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-43.2	175.6	-55.2	0	0	0	0	111	M317 V318 L319 V324 V325	M317-T321 WeakPolarHBondContact O-CB 3.09Å; M317-T321 PolarHBondContact O-N 3.11Å; M317-T321 PolarHBondContact O-OG1 2.91Å; V318-T321 PolarHBondContact O-N 3.23Å; L319-T321 VanDerWaalsContact C-N 3.34Å; L319-T321 PolarHBondContact O-N 3Å; T321-V324 PolarHBondContact O-N 2.98Å; T321-V325 WeakPolarHBondContact O-CG2 3.39Å; T321-V325 PolarHBondContact O-N 3.44Å; T321-V325 VanDerWaalsContact O-N 3.11Å
322	M	90.2	Very high	88.9	Confident	115 Å²	115	45.4 Å²	45.4	57%	0.567	25%	0.248	S	C	*	.	H	α-helix	trans	-63.5	-40.5	174.3	-67.4	-61.5	179.5	0	0	112	V318 L319 V320 V324 V325 I326	V318-M322 WeakPolarHBondContact O-CG 3.36Å; V318-M322 PolarHBondContact O-N 3.27Å; L319-M322 WeakPolarHBondContact O-CB 3.29Å; L319-M322 PolarHBondContact O-N 3.04Å; V320-M322 VanDerWaalsContact C-N 3.3Å; V320-M322 PolarHBondContact O-N 3.27Å; M322-V324 PolarHBondContact O-N 3.23Å; M322-V325 PolarHBondContact O-N 3.22Å; M322-I326 VanDerWaalsContact O-CG1 3.26Å; M322-I326 WeakPolarHBondContact O-CG1 3.48Å; M322-I326 PolarHBondContact O-N 3.22Å
323	V	89.4	Confident	88.9	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-42.2	175	170.5	0	0	0	0	111.9	V264 F268 L319 V320 V325 I326 C327 V477	V264-V323 HydrophobicContact CG1-CB 3.92Å; V264-V323 HydrophobicContact CG1-CG1 3.82Å; V264-V323 HydrophobicContact CG1-CG2 3.59Å; F268-V323 HydrophobicContact CE1-CG1 4.1Å; F268-V323 HydrophobicContact CE2-CB 4.33Å; F268-V323 HydrophobicContact CE2-CG1 3.76Å; F268-V323 HydrophobicContact CE2-CG2 3.7Å; F268-V323 HydrophobicContact CZ-CB 3.95Å; F268-V323 HydrophobicContact CZ-CG1 3.47Å; F268-V323 VanDerWaalsContact CZ-CG1 3.47Å; F268-V323 HydrophobicContact CZ-CG2 3.6Å; L319-V323 WeakPolarHBondContact O-CG2 3.29Å; L319-V323 PolarHBondContact O-N 3.45Å; V320-V323 PolarHBondContact O-N 2.8Å; V320-V323 VanDerWaalsContact O-N 3.13Å; V323-V325 PolarHBondContact O-N 3.44Å; V323-I326 PolarHBondContact O-N 3.45Å; V323-C327 WeakPolarHBondContact O-CB 3.44Å; V323-C327 PolarHBondContact O-N 2.96Å; V323-C327 PolarHBondContact O-SG 3.49Å; V323-V477 HydrophobicContact CG2-CG1 3.92Å; V323-V477 HydrophobicContact CG2-CG2 4.32Å
324	V	89.8	Confident	89	Confident	29 Å²	29	46.5 Å²	46.5	18%	0.176	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-45.8	176.6	172.1	0	0	0	0	110.6	A281 V320 T321 M322 I326 C327 V328	A281-V324 HydrophobicContact CB-CG2 3.94Å; V320-V324 HydrophobicContact CG1-CG2 4.41Å; V320-V324 WeakPolarHBondContact O-CG2 3.43Å; V320-V324 PolarHBondContact O-N 3.41Å; T321-V324 PolarHBondContact O-N 2.98Å; M322-V324 PolarHBondContact O-N 3.23Å; V324-I326 PolarHBondContact O-N 3.28Å; V324-C327 WeakPolarHBondContact O-CB 3.48Å; V324-C327 PolarHBondContact O-N 3.23Å; V324-V328 WeakPolarHBondContact O-CG2 3.46Å; V324-V328 PolarHBondContact O-N 2.95Å
325	V	90.9	Very high	89.1	Confident	76 Å²	76	48 Å²	48	46%	0.461	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-46.3	176.5	173.3	0	0	0	0	111.1	T321 M322 V323 C327 V328 I329	T321-V325 WeakPolarHBondContact O-CG2 3.39Å; T321-V325 PolarHBondContact O-N 3.44Å; T321-V325 VanDerWaalsContact O-N 3.11Å; M322-V325 PolarHBondContact O-N 3.22Å; V323-V325 PolarHBondContact O-N 3.44Å; V325-C327 VanDerWaalsContact C-N 3.32Å; V325-C327 PolarHBondContact O-N 3.45Å; V325-V328 PolarHBondContact O-N 2.81Å; V325-I329 HydrophobicContact CG1-CD1 4.07Å; V325-I329 WeakPolarHBondContact O-CG1 3.34Å; V325-I329 PolarHBondContact O-N 3.02Å
326	I	89.8	Confident	89	Confident	45 Å²	45	48.4 Å²	48.4	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-41.6	176.2	-68.2	166.2	0	0	0	110.9	F268 M322 V323 V324 V328 I329 V330 C473	F268-I326 HydrophobicContact CE1-CB 4.43Å; F268-I326 HydrophobicContact CE1-CG2 3.79Å; F268-I326 HydrophobicContact CZ-CG2 4.41Å; M322-I326 VanDerWaalsContact O-CG1 3.26Å; M322-I326 WeakPolarHBondContact O-CG1 3.48Å; M322-I326 PolarHBondContact O-N 3.22Å; V323-I326 PolarHBondContact O-N 3.45Å; V324-I326 PolarHBondContact O-N 3.28Å; I326-V328 VanDerWaalsContact C-N 3.32Å; I326-V328 PolarHBondContact O-N 2.95Å; I326-I329 WeakPolarHBondContact O-CB 3.21Å; I326-I329 PolarHBondContact O-N 2.98Å; I326-I329 VanDerWaalsContact O-N 3.11Å; I326-V330 HydrophobicContact CG2-CG2 4.23Å; I326-V330 WeakPolarHBondContact O-CG2 3.38Å; I326-V330 PolarHBondContact O-N 3.18Å; I326-C473 HydrophobicContact CG2-CB 3.99Å; I326-C473 WeakPolarHBondContact CG2-SG 3.09Å
327	C	89	Confident	88.8	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-41.1	177.6	-71.4	0	0	0	0	112	V267 V323 V324 V325 I329 V330 L331	V267-C327 WeakPolarHBondContact CG1-SG 3.25Å; V323-C327 WeakPolarHBondContact O-CB 3.44Å; V323-C327 PolarHBondContact O-N 2.96Å; V323-C327 PolarHBondContact O-SG 3.49Å; V324-C327 WeakPolarHBondContact O-CB 3.48Å; V324-C327 PolarHBondContact O-N 3.23Å; V325-C327 VanDerWaalsContact C-N 3.32Å; V325-C327 PolarHBondContact O-N 3.45Å; C327-I329 VanDerWaalsContact C-N 3.32Å; C327-V330 PolarHBondContact O-N 2.82Å; C327-L331 VanDerWaalsContact O-CB 3.31Å; C327-L331 WeakPolarHBondContact O-CB 3.26Å; C327-L331 PolarHBondContact O-N 2.81Å
328	V	89.8	Confident	88.4	Confident	83 Å²	83	49.1 Å²	49.1	50%	0.503	26%	0.262	S	S	.	.	H	α-helix	trans	-63.2	-39.8	174.3	174.3	0	0	0	0	111	V324 V325 I326 L331 N332	V324-V328 WeakPolarHBondContact O-CG2 3.46Å; V324-V328 PolarHBondContact O-N 2.95Å; V325-V328 PolarHBondContact O-N 2.81Å; I326-V328 VanDerWaalsContact C-N 3.32Å; I326-V328 PolarHBondContact O-N 2.95Å; V328-L331 PolarHBondContact O-N 3.37Å; V328-N332 WeakPolarHBondContact O-CB 3.36Å; V328-N332 PolarHBondContact O-N 3.35Å
329	I	90.1	Very high	87.9	Confident	88 Å²	88	49.9 Å²	49.9	45%	0.451	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-46.5	175.8	-66.1	166.6	0	0	0	111	V325 I326 C327 L331 N332 I333	V325-I329 HydrophobicContact CG1-CD1 4.07Å; V325-I329 WeakPolarHBondContact O-CG1 3.34Å; V325-I329 PolarHBondContact O-N 3.02Å; I326-I329 WeakPolarHBondContact O-CB 3.21Å; I326-I329 PolarHBondContact O-N 2.98Å; I326-I329 VanDerWaalsContact O-N 3.11Å; C327-I329 VanDerWaalsContact C-N 3.32Å; I329-L331 VanDerWaalsContact C-N 3.29Å; I329-L331 PolarHBondContact O-N 3.35Å; I329-N332 WeakPolarHBondContact O-CB 3.26Å; I329-N332 PolarHBondContact O-N 2.9Å; I329-I333 HydrophobicContact CG2-CD1 3.93Å; I329-I333 WeakPolarHBondContact O-CG1 3.27Å; I329-I333 PolarHBondContact O-N 3.11Å
330	V	89.7	Confident	87.7	Confident	2 Å²	2	53 Å²	53	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-41.5	177.2	173.5	0	0	0	0	110.5	I326 C327 I333 H334 A466 V469 D470	I326-V330 HydrophobicContact CG2-CG2 4.23Å; I326-V330 WeakPolarHBondContact O-CG2 3.38Å; I326-V330 PolarHBondContact O-N 3.18Å; C327-V330 PolarHBondContact O-N 2.82Å; V330-I333 PolarHBondContact O-N 3.29Å; V330-H334 WeakPolarHBondContact O-CB 3.3Å; V330-H334 PolarHBondContact O-N 3.46Å; V330-A466 HydrophobicContact CG1-CB 4.34Å; V330-V469 HydrophobicContact CG2-CB 4.39Å; V330-V469 HydrophobicContact CG2-CG1 3.78Å; V330-D470 HydrophobicContact CG1-CB 4.34Å
331	L	89.1	Confident	87.6	Confident	41 Å²	41	56.6 Å²	56.6	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-41.4	176.2	-162.5	68.6	0	0	0	111.8	A272 T278 C327 V328 I329 I333 H334 F335	A272-L331 HydrophobicContact CB-CD1 4.13Å; T278-L331 HydrophobicContact CG2-CD2 3.93Å; C327-L331 VanDerWaalsContact O-CB 3.31Å; C327-L331 WeakPolarHBondContact O-CB 3.26Å; C327-L331 PolarHBondContact O-N 2.81Å; V328-L331 PolarHBondContact O-N 3.37Å; I329-L331 VanDerWaalsContact C-N 3.29Å; I329-L331 PolarHBondContact O-N 3.35Å; L331-I333 VanDerWaalsContact C-N 3.33Å; L331-I333 PolarHBondContact O-N 3.41Å; L331-H334 PolarHBondContact O-N 3.26Å; L331-F335 HydrophobicContact CD1-CD2 3.93Å; L331-F335 HydrophobicContact CD1-CE2 3.37Å; L331-F335 HydrophobicContact CD1-CZ 4.25Å; L331-F335 HydrophobicContact CD2-CE2 4.29Å; L331-F335 HydrophobicContact CG-CD2 3.81Å; L331-F335 HydrophobicContact CG-CE2 3.64Å; L331-F335 WeakPolarHBondContact O-CD2 3.4Å; L331-F335 PolarHBondContact O-N 3.29Å; L331-F335 VanDerWaalsContact O-N 3.09Å
332	N	90.1	Very high	87.3	Confident	88 Å²	88	59.7 Å²	59.7	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-43.8	174.3	-178.9	-92.9	0	0	0	111.4	V328 I329 R336	V328-N332 WeakPolarHBondContact O-CB 3.36Å; V328-N332 PolarHBondContact O-N 3.35Å; I329-N332 WeakPolarHBondContact O-CB 3.26Å; I329-N332 PolarHBondContact O-N 2.9Å; N332-R336 WeakPolarHBondContact O-CG 3.29Å; N332-R336 PolarHBondContact OD1-NE 2.98Å; N332-R336 PolarHBondContact OD1-NH2 3.18Å
333	I	87.4	Confident	86.9	Confident	22 Å²	22	54.6 Å²	54.6	11%	0.113	30%	0.3	C	S	.	.	H	α-helix	trans	-67.6	-40.9	178.7	-65.9	168.6	0	0	0	110.9	I329 V330 L331 R336 W462 V465 A466 V469	I329-I333 HydrophobicContact CG2-CD1 3.93Å; I329-I333 WeakPolarHBondContact O-CG1 3.27Å; I329-I333 PolarHBondContact O-N 3.11Å; V330-I333 PolarHBondContact O-N 3.29Å; L331-I333 VanDerWaalsContact C-N 3.33Å; L331-I333 PolarHBondContact O-N 3.41Å; I333-R336 WeakPolarHBondContact O-CB 3.42Å; I333-R336 PolarHBondContact O-N 2.97Å; I333-W462 HydrophobicContact CG2-CE3 3.91Å; I333-W462 HydrophobicContact CG2-CZ3 4.17Å; I333-V465 HydrophobicContact CG2-CB 4.49Å; I333-V465 HydrophobicContact CG2-CG1 3.98Å; I333-A466 HydrophobicContact CB-CB 4.44Å; I333-A466 HydrophobicContact CG2-CB 4.02Å; I333-V469 HydrophobicContact CD1-CG2 4.39Å
334	H	87.6	Confident	86.8	Confident	10 Å²	10	58 Å²	58	5%	0.046	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-42.4	-179.8	-175.6	-94.5	0	0	0	112.7	A272 D273 V330 L331 R336 N463 A466	A272-H334 HydrophobicContact CB-CB 4.08Å; D273-H334 IonicContact OD1-CE1 3.11Å; D273-H334 PolarHBondContact OD1-CE1 2.97Å; D273-H334 IonicContact OD1-NE2 3.6Å; D273-H334 PolarHBondContact OD1-NE2 3.18Å; V330-H334 WeakPolarHBondContact O-CB 3.3Å; V330-H334 PolarHBondContact O-N 3.46Å; L331-H334 PolarHBondContact O-N 3.26Å; H334-R336 VanDerWaalsContact C-N 3.26Å; H334-R336 PolarHBondContact O-N 3.34Å; H334-N463 PolarHBondContact CD2-OD1 3.44Å; H334-N463 VanDerWaalsContact CD2-OD1 3.28Å; H334-N463 PolarHBondContact NE2-OD1 3.41Å; H334-N463 PolarHBondContact O-OD1 3.33Å; H334-A466 HydrophobicContact CB-CB 3.84Å
335	F	87.2	Confident	86.3	Confident	135 Å²	135	64.4 Å²	64.4	59%	0.592	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	11.8	179.4	-68.2	-59.2	0	0	0	114.2	L331 T337	L331-F335 HydrophobicContact CD1-CD2 3.93Å; L331-F335 HydrophobicContact CD1-CE2 3.37Å; L331-F335 HydrophobicContact CD1-CZ 4.25Å; L331-F335 HydrophobicContact CD2-CE2 4.29Å; L331-F335 HydrophobicContact CG-CD2 3.81Å; L331-F335 HydrophobicContact CG-CE2 3.64Å; L331-F335 WeakPolarHBondContact O-CD2 3.4Å; L331-F335 PolarHBondContact O-N 3.29Å; L331-F335 VanDerWaalsContact O-N 3.09Å; F335-T337 PolarHBondContact O-N 3.4Å
336	R	86.9	Confident	85.9	Confident	66 Å²	66	63.1 Å²	63.1	25%	0.249	35%	0.354	C	S	.	.			trans	-70.9	130.7	171.9	-77.3	175.9	-170.7	-165.6	0.3	110.6	N332 I333 H334 H341 W462	N332-R336 WeakPolarHBondContact O-CG 3.29Å; N332-R336 PolarHBondContact OD1-NE 2.98Å; N332-R336 PolarHBondContact OD1-NH2 3.18Å; I333-R336 WeakPolarHBondContact O-CB 3.42Å; I333-R336 PolarHBondContact O-N 2.97Å; H334-R336 VanDerWaalsContact C-N 3.26Å; H334-R336 PolarHBondContact O-N 3.34Å; R336-H341 HydrophobicContact CG-CB 4.34Å; R336-W462 HydrophobicContact CB-CD2 3.78Å; R336-W462 HydrophobicContact CB-CE3 4.02Å; R336-W462 HydrophobicContact CB-CG 4.07Å; R336-W462 VanDerWaalsContact CD-CZ3 3.48Å
337	T	83.8	Confident	85.6	Confident	30 Å²	30	63.3 Å²	63.3	18%	0.184	36%	0.357	C	S	.	.			trans	-110.2	152.9	173.2	57.9	0	0	0	0	110.1	F335 S339 T340 H341 Y455	F335-T337 PolarHBondContact O-N 3.4Å; T337-S339 PolarHBondContact O-N 3.5Å; T337-S339 VanDerWaalsContact O-N 3.1Å; T337-S339 PolarHBondContact OG1-OG 3.45Å; T337-T340 PolarHBondContact N-OG1 3.33Å; T337-T340 PolarHBondContact O-N 3.05Å; T337-T340 PolarHBondContact O-OG1 3.14Å; T337-T340 PolarHBondContact OG1-OG1 3.25Å; T337-H341 PolarHBondContact O-N 3.02Å; T337-H341 VanDerWaalsContact O-N 3.1Å; T337-Y455 WeakPolarHBondContact CB-OH 3.43Å; T337-Y455 WeakPolarHBondContact CG2-OH 3.34Å
338	P	78.6	Confident	85.2	Confident	29 Å²	29	67.3 Å²	67.3	19%	0.188	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.9	177.3	27.8	-37	0	0	0	113.5	T340 Y455 E458	P338-T340 VanDerWaalsContact C-N 3.34Å; P338-Y455 HydrophobicContact CG-CD1 4.5Å; P338-Y455 HydrophobicContact CG-CD2 3.3Å; P338-Y455 HydrophobicContact CG-CE2 3.36Å; P338-Y455 HydrophobicContact CG-CG 3.9Å; P338-E458 HydrophobicContact CB-CB 4.2Å; P338-E458 VanDerWaalsContact CB-CD 3.49Å; P338-E458 HydrophobicContact CB-CG 3.97Å; P338-E458 WeakPolarHBondContact CB-OE2 3.49Å; P338-E458 HydrophobicContact CG-CB 4.37Å
339	S	79.8	Confident	84.8	Confident	92 Å²	92	69.7 Å²	69.7	64%	0.643	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.8	171.6	54.8	0	0	0	0	114.5	T337	T337-S339 PolarHBondContact O-N 3.5Å; T337-S339 VanDerWaalsContact O-N 3.1Å; T337-S339 PolarHBondContact OG1-OG 3.45Å
340	T	84.7	Confident	84.5	Confident	89 Å²	89	69.6 Å²	69.6	55%	0.546	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-36.3	-177.2	58.4	0	0	0	0	112.8	T337 P338	T337-T340 PolarHBondContact N-OG1 3.33Å; T337-T340 PolarHBondContact O-N 3.05Å; T337-T340 PolarHBondContact O-OG1 3.14Å; T337-T340 PolarHBondContact OG1-OG1 3.25Å; P338-T340 VanDerWaalsContact C-N 3.34Å
341	H	85.5	Confident	84	Confident	79 Å²	79	71.6 Å²	71.6	37%	0.366	39%	0.387	S	S	.	.			trans	-139	135.9	-174	-65.6	79.3	0	0	0	111.1	R336 T337 W462	R336-H341 HydrophobicContact CG-CB 4.34Å; T337-H341 PolarHBondContact O-N 3.02Å; T337-H341 VanDerWaalsContact O-N 3.1Å; H341-W462 HydrophobicContact CB-CZ2 4.1Å
342	V	83.8	Confident	83.5	Confident	132 Å²	132	71.5 Å²	71.5	80%	0.8	39%	0.386	S	S	*	.			trans	-90.7	130.6	174.9	-174.9	0	0	0	0	109.8	S344	V342-S344 PolarHBondContact O-N 3.37Å
343	L	81.9	Confident	82.9	Confident	7 Å²	7	72.2 Å²	72.2	4%	0.037	39%	0.387	C	S	.	.			trans	-80.5	100.5	178.2	-174.2	59.9	0	0	0	110.7	V347 K348 W462	L343-V347 HydrophobicContact CD1-CB 4.09Å; L343-V347 HydrophobicContact CD1-CG1 3.69Å; L343-K348 HydrophobicContact CD1-CG 4.44Å; L343-K348 HydrophobicContact CD2-CD 4.17Å; L343-K348 VanDerWaalsContact CD2-CE 3.42Å; L343-K348 HydrophobicContact CD2-CG 3.69Å; L343-K348 HydrophobicContact CG-CD 4.23Å; L343-K348 HydrophobicContact CG-CG 3.64Å; L343-W462 HydrophobicContact CB-CZ2 3.81Å; L343-W462 HydrophobicContact CD1-CD2 4.24Å; L343-W462 HydrophobicContact CD1-CE3 4.26Å; L343-W462 HydrophobicContact CD1-CH2 3.72Å; L343-W462 HydrophobicContact CD1-CZ2 3.71Å; L343-W462 HydrophobicContact CD1-CZ3 4Å; L343-W462 HydrophobicContact CG-CZ2 4.32Å
344	S	86.3	Confident	82.5	Confident	73 Å²	73	74.6 Å²	74.6	51%	0.51	40%	0.402	S	S	.	.			trans	-58.4	142.2	178	179.5	0	0	0	0	112.2	V342 G346 V347 K348	V342-S344 PolarHBondContact O-N 3.37Å; S344-G346 PolarHBondContact O-N 3.29Å; S344-V347 WeakPolarHBondContact O-CB 3.26Å; S344-V347 PolarHBondContact O-N 3.35Å; S344-K348 PolarHBondContact O-N 3.44Å; S344-K348 VanDerWaalsContact O-N 3.12Å
345	E	81	Confident	82.1	Confident	165 Å²	165	75 Å²	75	77%	0.771	41%	0.405	S	S	*	.	H	α-helix	trans	-59.1	-32.4	179.5	-63.9	-168	165.9	0	0	113	V347 K348 K349	E345-V347 VanDerWaalsContact C-N 3.35Å; E345-V347 PolarHBondContact O-N 3.45Å; E345-K348 PolarHBondContact O-N 3.14Å; E345-K349 PolarHBondContact O-N 3.39Å
346	G	81.9	Confident	81.7	Confident	49 Å²	49	69.1 Å²	69.1	51%	0.505	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-38	174.8	0	0	0	0	0	112.9	S344 L350	S344-G346 PolarHBondContact O-N 3.29Å; G346-L350 WeakPolarHBondContact O-CB 3.47Å; G346-L350 PolarHBondContact O-N 3.06Å
347	V	82.8	Confident	81.3	Confident	49 Å²	49	71.8 Å²	71.8	30%	0.297	40%	0.396	S	S	.	.	H	α-helix	trans	-70.2	-39	177.1	178.7	0	0	0	0	110.3	L343 S344 E345 F351 V465	L343-V347 HydrophobicContact CD1-CB 4.09Å; L343-V347 HydrophobicContact CD1-CG1 3.69Å; S344-V347 WeakPolarHBondContact O-CB 3.26Å; S344-V347 PolarHBondContact O-N 3.35Å; E345-V347 VanDerWaalsContact C-N 3.35Å; E345-V347 PolarHBondContact O-N 3.45Å; V347-F351 HydrophobicContact CG1-CD2 3.67Å; V347-F351 HydrophobicContact CG1-CE2 4.19Å; V347-F351 WeakPolarHBondContact O-CB 3.39Å; V347-F351 PolarHBondContact O-N 3.02Å; V347-V465 HydrophobicContact CG1-CG1 4.48Å
348	K	81.6	Confident	81.1	Confident	84 Å²	84	76.6 Å²	76.6	37%	0.365	42%	0.42	S	S	.	.	H	α-helix	trans	-59.5	-52.7	174	-66.5	-177.2	177.1	175.8	0	110.9	L343 S344 E345 L350 L352	L343-K348 HydrophobicContact CD1-CG 4.44Å; L343-K348 HydrophobicContact CD2-CD 4.17Å; L343-K348 VanDerWaalsContact CD2-CE 3.42Å; L343-K348 HydrophobicContact CD2-CG 3.69Å; L343-K348 HydrophobicContact CG-CD 4.23Å; L343-K348 HydrophobicContact CG-CG 3.64Å; S344-K348 PolarHBondContact O-N 3.44Å; S344-K348 VanDerWaalsContact O-N 3.12Å; E345-K348 PolarHBondContact O-N 3.14Å; K348-L350 VanDerWaalsContact C-N 3.35Å; K348-L350 PolarHBondContact O-N 3.19Å; K348-L352 HydrophobicContact CB-CD1 4.21Å; K348-L352 HydrophobicContact CG-CD1 4.23Å; K348-L352 WeakPolarHBondContact O-CA 3.38Å; K348-L352 WeakPolarHBondContact O-CB 3.47Å; K348-L352 PolarHBondContact O-N 3.04Å
349	K	81.1	Confident	81	Confident	133 Å²	133	76.3 Å²	76.3	58%	0.578	42%	0.416	S	S	*	.	I	π-helix	trans	-61.2	-42.8	-179.3	-169.7	168.8	-171.6	175.4	0	112.4	E345 E353 T354	E345-K349 PolarHBondContact O-N 3.39Å; K349-E353 WeakPolarHBondContact O-CB 3.38Å; K349-E353 PolarHBondContact O-N 3.48Å; K349-T354 PolarHBondContact O-N 2.96Å; K349-T354 VanDerWaalsContact O-N 3.11Å; K349-T354 PolarHBondContact O-OG1 3.36Å
350	L	83	Confident	80.9	Confident	87 Å²	87	80.2 Å²	80.2	46%	0.455	42%	0.424	S	S	.	.	I	π-helix	trans	-67	-58.1	179.4	-165.5	106.8	0	0	0	111.5	G346 K348 T354 L355	G346-L350 WeakPolarHBondContact O-CB 3.47Å; G346-L350 PolarHBondContact O-N 3.06Å; K348-L350 VanDerWaalsContact C-N 3.35Å; K348-L350 PolarHBondContact O-N 3.19Å; L350-T354 WeakPolarHBondContact CA-OG1 3.42Å; L350-T354 PolarHBondContact O-N 2.81Å; L350-T354 PolarHBondContact O-OG1 3.5Å; L350-L355 HydrophobicContact CD2-CD1 3.67Å; L350-L355 HydrophobicContact CG-CD1 3.9Å; L350-L355 WeakPolarHBondContact O-CB 3.35Å; L350-L355 PolarHBondContact O-N 3.02Å
351	F	80.9	Confident	80.3	Confident	43 Å²	43	78.5 Å²	78.5	19%	0.189	41%	0.411	C	S	.	.	I	π-helix	trans	-88	-21.9	-169	-70.6	-78.7	0	0	0	115.1	V347 L355 P356 V465 T468 V469	V347-F351 HydrophobicContact CG1-CD2 3.67Å; V347-F351 HydrophobicContact CG1-CE2 4.19Å; V347-F351 WeakPolarHBondContact O-CB 3.39Å; V347-F351 PolarHBondContact O-N 3.02Å; F351-L355 HydrophobicContact CD1-CD1 3.53Å; F351-L355 HydrophobicContact CE1-CD1 3.76Å; F351-L355 HydrophobicContact CG-CD1 4.15Å; F351-P356 VanDerWaalsContact O-CD 3.27Å; F351-P356 WeakPolarHBondContact O-CD 3.27Å; F351-P356 VanDerWaalsContact O-CG 3.25Å; F351-P356 WeakPolarHBondContact O-CG 3.42Å; F351-V465 HydrophobicContact CB-CB 4.4Å; F351-V465 HydrophobicContact CB-CG1 3.99Å; F351-V465 HydrophobicContact CB-CG2 4Å; F351-V465 HydrophobicContact CD1-CG1 4.44Å; F351-V465 HydrophobicContact CD2-CG1 4.23Å; F351-V465 HydrophobicContact CG-CG1 3.98Å; F351-T468 HydrophobicContact CD1-CG2 4.48Å; F351-T468 WeakPolarHBondContact O-CG2 3.49Å; F351-T468 PolarHBondContact O-OG1 3.39Å; F351-V469 HydrophobicContact CD1-CG2 3.8Å; F351-V469 HydrophobicContact CE1-CG2 3.45Å; F351-V469 VanDerWaalsContact CE1-CG2 3.45Å; F351-V469 HydrophobicContact CZ-CG2 4.11Å
352	L	77.9	Confident	79.2	Confident	40 Å²	40	80.5 Å²	80.5	21%	0.209	43%	0.433	C	S	.	.	I	π-helix	trans	-101.2	-27.9	-179.7	-59.8	172.3	0	0	0	113	K348 P356 R464 V465	K348-L352 HydrophobicContact CB-CD1 4.21Å; K348-L352 HydrophobicContact CG-CD1 4.23Å; K348-L352 WeakPolarHBondContact O-CA 3.38Å; K348-L352 WeakPolarHBondContact O-CB 3.47Å; K348-L352 PolarHBondContact O-N 3.04Å; L352-P356 WeakPolarHBondContact O-CG 3.28Å; L352-R464 HydrophobicContact CD2-CB 3.62Å; L352-V465 HydrophobicContact CD2-CG2 4Å; L352-V465 HydrophobicContact CG-CG2 4.14Å
353	E	77.1	Confident	77.9	Confident	103 Å²	103	81.2 Å²	81.2	48%	0.481	42%	0.422	S	S	.	.	I	π-helix	trans	-104.6	-60.4	-178	-60.1	173.2	-172.1	0	0	111.5	K349	K349-E353 WeakPolarHBondContact O-CB 3.38Å; K349-E353 PolarHBondContact O-N 3.48Å
354	T	78.9	Confident	76.4	Confident	71 Å²	71	85.7 Å²	85.7	44%	0.436	45%	0.451	S	S	.	.	I	π-helix	trans	-77.4	-44.4	-169.6	60.2	0	0	0	0	114.9	K349 L350 L358	K349-T354 PolarHBondContact O-N 2.96Å; K349-T354 VanDerWaalsContact O-N 3.11Å; K349-T354 PolarHBondContact O-OG1 3.36Å; L350-T354 WeakPolarHBondContact CA-OG1 3.42Å; L350-T354 PolarHBondContact O-N 2.81Å; L350-T354 PolarHBondContact O-OG1 3.5Å; T354-L358 PolarHBondContact O-N 2.72Å
355	L	79.8	Confident	74.2	Confident	18 Å²	18	86.3 Å²	86.3	9%	0.094	46%	0.461	C	S	.	.	H	α-helix	trans	-69.6	-41.4	-177.8	-92.9	146	0	0	0	114	L350 F351 E357 L358 L359 T468 L472	L350-L355 HydrophobicContact CD2-CD1 3.67Å; L350-L355 HydrophobicContact CG-CD1 3.9Å; L350-L355 WeakPolarHBondContact O-CB 3.35Å; L350-L355 PolarHBondContact O-N 3.02Å; F351-L355 HydrophobicContact CD1-CD1 3.53Å; F351-L355 HydrophobicContact CE1-CD1 3.76Å; F351-L355 HydrophobicContact CG-CD1 4.15Å; L355-E357 VanDerWaalsContact C-N 3.29Å; L355-E357 PolarHBondContact O-N 2.95Å; L355-L358 PolarHBondContact O-N 3.44Å; L355-L359 HydrophobicContact CD2-CD1 3.96Å; L355-L359 VanDerWaalsContact O-CB 3.3Å; L355-L359 WeakPolarHBondContact O-CB 3.47Å; L355-L359 WeakPolarHBondContact O-CG 3.42Å; L355-L359 PolarHBondContact O-N 3.44Å; L355-T468 HydrophobicContact CB-CG2 3.7Å; L355-L472 HydrophobicContact CD2-CB 4.36Å; L355-L472 HydrophobicContact CD2-CD1 3.72Å; L355-L472 HydrophobicContact CD2-CD2 3.83Å; L355-L472 HydrophobicContact CD2-CG 4.18Å
356	P	78.7	Confident	72.3	Confident	13 Å²	13	87.1 Å²	87.1	8%	0.084	47%	0.465	C	S	.	.	H	α-helix	trans	-64.8	-31.5	177.9	-27.1	38.8	0	0	0	113.7	F351 L352 H360 M361 T468	F351-P356 VanDerWaalsContact O-CD 3.27Å; F351-P356 WeakPolarHBondContact O-CD 3.27Å; F351-P356 VanDerWaalsContact O-CG 3.25Å; F351-P356 WeakPolarHBondContact O-CG 3.42Å; L352-P356 WeakPolarHBondContact O-CG 3.28Å; P356-H360 PolarHBondContact O-N 3.45Å; P356-H360 VanDerWaalsContact O-N 3.11Å; P356-M361 HydrophobicContact CB-CB 4.35Å; P356-M361 PolarHBondContact O-N 2.76Å; P356-T468 HydrophobicContact CG-CG2 4.1Å
357	E	78.5	Confident	70.4	Confident	121 Å²	121	92.9 Å²	92.9	57%	0.565	48%	0.484	S	S	*	.	H	α-helix	trans	-68.7	-43.8	172.8	-74.3	179.5	-173.8	0	0	111.4	L355 L359 H360 R363	L355-E357 VanDerWaalsContact C-N 3.29Å; L355-E357 PolarHBondContact O-N 2.95Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 3.39Å; E357-H360 PolarHBondContact O-N 3.1Å; E357-R363 IonicContact OE1-CZ 2.66Å; E357-R363 IonicContact OE1-NH1 2.83Å; E357-R363 IonicContact OE1-NH2 2.88Å; E357-R363 PolarHBondContact OE1-NH2 3.38Å
358	L	79.8	Confident	68.3	Low	132 Å²	132	92.5 Å²	92.5	69%	0.691	49%	0.49	S	S	*	.	H	α-helix	trans	-62.7	-37.5	175	-176.5	66.1	0	0	0	112.5	T354 L355	T354-L358 PolarHBondContact O-N 2.72Å; L355-L358 PolarHBondContact O-N 3.44Å
359	L	76.2	Confident	66.1	Low	22 Å²	22	94.8 Å²	94.8	12%	0.115	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.8	-175	-62.9	176.3	0	0	0	113.4	L355 E357 M361 T468 R471 L472 F475	L355-L359 HydrophobicContact CD2-CD1 3.96Å; L355-L359 VanDerWaalsContact O-CB 3.3Å; L355-L359 WeakPolarHBondContact O-CB 3.47Å; L355-L359 WeakPolarHBondContact O-CG 3.42Å; L355-L359 PolarHBondContact O-N 3.44Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 3.39Å; L359-M361 VanDerWaalsContact C-N 3.26Å; L359-M361 HydrophobicContact CB-CE 3.51Å; L359-M361 HydrophobicContact CB-CG 4.2Å; L359-M361 HydrophobicContact CD1-CE 3.28Å; L359-M361 HydrophobicContact CG-CE 4.02Å; L359-M361 PolarHBondContact O-N 3.05Å; L359-T468 HydrophobicContact CD1-CG2 4.4Å; L359-R471 HydrophobicContact CD1-CB 4.48Å; L359-L472 HydrophobicContact CD1-CB 4.01Å; L359-L472 HydrophobicContact CD1-CD1 4.4Å; L359-F475 HydrophobicContact CB-CE2 4.42Å; L359-F475 HydrophobicContact CD2-CB 4.43Å; L359-F475 HydrophobicContact CD2-CD2 3.52Å; L359-F475 HydrophobicContact CD2-CE2 4Å; L359-F475 HydrophobicContact CD2-CG 4.18Å
360	H	77.2	Confident	63.8	Low	175 Å²	175	92.3 Å²	92.3	81%	0.81	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	44.3	-176.9	-65.3	132.7	0	0	0	113.9	P356 E357	P356-H360 PolarHBondContact O-N 3.45Å; P356-H360 VanDerWaalsContact O-N 3.11Å; E357-H360 PolarHBondContact O-N 3.1Å
361	M	72.9	Confident	61.8	Low	53 Å²	53	95 Å²	95	26%	0.261	54%	0.535	S	S	.	.			trans	-77	132.4	176.6	-63.2	-169.8	-147.3	0	0	110.4	P356 L359 R363 T468 R471	P356-M361 HydrophobicContact CB-CB 4.35Å; P356-M361 PolarHBondContact O-N 2.76Å; L359-M361 VanDerWaalsContact C-N 3.26Å; L359-M361 HydrophobicContact CB-CE 3.51Å; L359-M361 HydrophobicContact CB-CG 4.2Å; L359-M361 HydrophobicContact CD1-CE 3.28Å; L359-M361 HydrophobicContact CG-CE 4.02Å; L359-M361 PolarHBondContact O-N 3.05Å; M361-R363 PolarHBondContact O-N 3.49Å; M361-T468 HydrophobicContact CE-CG2 3.83Å; M361-R471 HydrophobicContact CE-CB 3.37Å; M361-R471 HydrophobicContact CE-CG 3.82Å; M361-R471 HydrophobicContact SD-CB 4.28Å; M361-R471 HydrophobicContact SD-CG 4.06Å
362	S	61.3	Low	60.2	Low	121 Å²	121	96.3 Å²	96.3	85%	0.846	56%	0.561	S	S	*	*			trans	-60.7	110.4	170.4	-61.3	0	0	0	0	109.3
363	R	57.1	Low	58.1	Low	146 Å²	146	97.7 Å²	97.7	55%	0.551	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62	131.5	167.1	-73.2	-175.4	177.9	155.8	8.1	107.4	E357 M361 A365	E357-R363 IonicContact OE1-CZ 2.66Å; E357-R363 IonicContact OE1-NH1 2.83Å; E357-R363 IonicContact OE1-NH2 2.88Å; E357-R363 PolarHBondContact OE1-NH2 3.38Å; M361-R363 PolarHBondContact O-N 3.49Å; R363-A365 PolarHBondContact O-N 2.96Å
364	P	49.7	Very low	56.6	Low	101 Å²	101	100.8 Å²	100.8	66%	0.656	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-55.6	132.4	162.3	24.2	-29.2	0	0	0	106.8	E366	P364-E366 PolarHBondContact O-N 3.26Å
365	A	40.4	Very low	54.7	Low	87 Å²	87	104 Å²	104	72%	0.719	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-49.7	119.1	178.9	0	0	0	0	0	108.3	R363 D367	R363-A365 PolarHBondContact O-N 2.96Å; A365-D367 PolarHBondContact O-N 3.37Å
366	E	42.7	Very low	52.8	Low	181 Å²	181	114.5 Å²	114.5	85%	0.846	66%	0.655	S	S	*	*			trans	-62.7	111.6	165.9	-74.5	-173.3	160.8	0	0	106.1	P364 G368	P364-E366 PolarHBondContact O-N 3.26Å; E366-G368 PolarHBondContact O-N 2.95Å
367	D	41	Very low	51.3	Low	170 Å²	170	125.5 Å²	125.5	91%	0.909	70%	0.695	S	S	*	*			trans	-69.6	58	160.8	-74.6	-34.5	0	0	0	108.6	A365	A365-D367 PolarHBondContact O-N 3.37Å
368	G	37.9	Very low	49.5	Very low	42 Å²	42	124.6 Å²	124.6	43%	0.433	70%	0.702	S	S	.	*			trans	-98.2	134.7	168.2	0	0	0	0	0	108.5	E366 S370	E366-G368 PolarHBondContact O-N 2.95Å; G368-S370 PolarHBondContact O-N 2.82Å
369	P	36.5	Very low	48.1	Very low	131 Å²	131	122.8 Å²	122.8	85%	0.851	70%	0.7	S	S	*	*			trans	-64.8	104.2	175.2	26.8	-30.6	0	0	0	108.3	P371	P369-P371 WeakPolarHBondContact O-CD 3.45Å
370	S	31.8	Very low	46.9	Very low	82 Å²	82	125.4 Å²	125.4	57%	0.573	72%	0.721	S	S	*	*			trans	-61.8	122.2	171.7	33.2	0	0	0	0	108.8	G368 G372	G368-S370 PolarHBondContact O-N 2.82Å; S370-G372 PolarHBondContact O-N 3.3Å
371	P	42.7	Very low	45.9	Very low	142 Å²	142	123.1 Å²	123.1	92%	0.922	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	79.3	177.1	30.3	-31.1	0	0	0	108.2	P369	P369-P371 WeakPolarHBondContact O-CD 3.45Å
372	G	46.4	Very low	45.1	Very low	71 Å²	71	123.1 Å²	123.1	73%	0.732	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.6	-10.8	179.3	0	0	0	0	0	116.2	S370 L374	S370-G372 PolarHBondContact O-N 3.3Å; G372-L374 PolarHBondContact O-N 3.13Å
373	A	34.6	Very low	44.9	Very low	69 Å²	69	126.7 Å²	126.7	57%	0.57	72%	0.724	S	S	*	*			trans	-78.1	107.4	172.7	0	0	0	0	0	109.6	V375	A373-V375 PolarHBondContact O-N 3.48Å; A373-V375 VanDerWaalsContact O-N 3.11Å
374	L	44.2	Very low	45.1	Very low	169 Å²	169	124.1 Å²	124.1	89%	0.885	72%	0.72	S	S	*	*			trans	-47.9	120.4	169.7	-73	169.3	0	0	0	109.4	G372 R376	G372-L374 PolarHBondContact O-N 3.13Å; L374-R376 PolarHBondContact O-N 2.87Å
375	V	38.7	Very low	45.6	Very low	137 Å²	137	122.6 Å²	122.6	83%	0.83	71%	0.711	S	S	*	*			trans	-49.2	101.6	176.5	174	0	0	0	0	108.7	A373 R377	A373-V375 PolarHBondContact O-N 3.48Å; A373-V375 VanDerWaalsContact O-N 3.11Å; V375-R377 VanDerWaalsContact C-N 3.26Å; V375-R377 PolarHBondContact O-N 3.49Å
376	R	40.7	Very low	46.4	Very low	239 Å²	239	124.8 Å²	124.8	90%	0.902	71%	0.705	S	S	*	*			trans	-72.4	92.2	170.9	-167.2	177.3	-167.2	133.8	0	106.2	L374 S378	L374-R376 PolarHBondContact O-N 2.87Å; R376-S378 PolarHBondContact O-N 3.32Å
377	R	47.9	Very low	47.2	Very low	244 Å²	244	118.1 Å²	118.1	92%	0.921	68%	0.681	S	S	*	*			trans	-11.3	85.5	169.8	-154.2	178.9	-162.8	-179.8	4.4	112.6	V375	V375-R377 VanDerWaalsContact C-N 3.26Å; V375-R377 PolarHBondContact O-N 3.49Å
378	S	40.4	Very low	48.1	Very low	103 Å²	103	115.8 Å²	115.8	72%	0.72	67%	0.665	S	S	*	*			trans	-85	142.6	167.9	57.4	0	0	0	0	108.1	R376	R376-S378 PolarHBondContact O-N 3.32Å
379	S	49.3	Very low	49.3	Very low	93 Å²	93	119.6 Å²	119.6	65%	0.65	67%	0.671	S	S	*	*			trans	-55.8	164.2	-174	39.7	0	0	0	0	113.2	L381	S379-L381 PolarHBondContact O-N 2.9Å
380	S	52.5	Low	50.1	Low	78 Å²	78	121.8 Å²	121.8	55%	0.545	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-49.2	10.8	-177	49.6	0	0	0	0	118.4	G382 Y383 I384	S380-G382 PolarHBondContact O-N 3.41Å; S380-Y383 PolarHBondContact O-N 3.19Å; S380-I384 WeakPolarHBondContact O-CD1 3.42Å; S380-I384 VanDerWaalsContact O-CG1 3.28Å; S380-I384 WeakPolarHBondContact O-CG1 3.48Å; S380-I384 PolarHBondContact O-N 3.13Å; S380-I384 VanDerWaalsContact O-N 3.1Å
381	L	54.5	Low	51.3	Low	126 Å²	126	124.6 Å²	124.6	66%	0.66	67%	0.666	S	S	*	*	H	α-helix	trans	-64	-35.9	-176.4	-136.8	104	0	0	0	113	S379 Y383 I384 S385	S379-L381 PolarHBondContact O-N 2.9Å; L381-Y383 VanDerWaalsContact C-N 3.34Å; L381-Y383 PolarHBondContact O-N 3.01Å; L381-I384 PolarHBondContact O-N 3.32Å; L381-S385 WeakPolarHBondContact O-CB 3.35Å; L381-S385 PolarHBondContact O-N 2.93Å
382	G	57.7	Low	52	Low	54 Å²	54	124.9 Å²	124.9	56%	0.557	66%	0.659	S	S	*	*	H	α-helix	trans	-66.9	-33.9	178.1	0	0	0	0	0	113.3	S380 K386	S380-G382 PolarHBondContact O-N 3.41Å; G382-K386 WeakPolarHBondContact O-CB 3.42Å; G382-K386 PolarHBondContact O-N 2.99Å
383	Y	57.1	Low	52.5	Low	196 Å²	196	128.9 Å²	128.9	77%	0.769	66%	0.663	S	S	*	*	H	α-helix	trans	-76.5	-32.1	173.2	-75.1	-77.5	0	0	0	112	S380 L381 A387	S380-Y383 PolarHBondContact O-N 3.19Å; L381-Y383 VanDerWaalsContact C-N 3.34Å; L381-Y383 PolarHBondContact O-N 3.01Å; Y383-A387 VanDerWaalsContact O-CB 3.24Å; Y383-A387 WeakPolarHBondContact O-CB 3.47Å; Y383-A387 PolarHBondContact O-N 3.44Å
384	I	60.8	Low	53.4	Low	92 Å²	92	129.4 Å²	129.4	47%	0.472	65%	0.652	S	S	.	*	H	α-helix	trans	-69.9	-45.9	176.6	-67.6	164.1	0	0	0	110.7	S380 L381 K386 A387 E388	S380-I384 WeakPolarHBondContact O-CD1 3.42Å; S380-I384 VanDerWaalsContact O-CG1 3.28Å; S380-I384 WeakPolarHBondContact O-CG1 3.48Å; S380-I384 PolarHBondContact O-N 3.13Å; S380-I384 VanDerWaalsContact O-N 3.1Å; L381-I384 PolarHBondContact O-N 3.32Å; I384-K386 VanDerWaalsContact C-N 3.32Å; I384-K386 PolarHBondContact O-N 2.88Å; I384-A387 PolarHBondContact O-N 2.74Å; I384-A387 VanDerWaalsContact O-N 3.16Å; I384-E388 WeakPolarHBondContact O-CB 3.25Å; I384-E388 PolarHBondContact O-N 3.35Å
385	S	60	Low	54	Low	68 Å²	68	123.9 Å²	123.9	48%	0.476	63%	0.627	S	S	.	*	H	α-helix	trans	-59	-43.9	174.8	144.7	0	0	0	0	111.4	L381 A387 E388 E389	L381-S385 WeakPolarHBondContact O-CB 3.35Å; L381-S385 PolarHBondContact O-N 2.93Å; S385-A387 VanDerWaalsContact C-N 3.34Å; S385-A387 PolarHBondContact O-N 3.05Å; S385-E388 PolarHBondContact O-N 2.71Å; S385-E389 PolarHBondContact O-N 3.45Å
386	K	58.1	Low	54.9	Low	133 Å²	133	127 Å²	127	58%	0.578	62%	0.624	S	S	*	*	H	α-helix	trans	-68.7	-33.4	177.5	-152.3	173	-169.5	171.2	0	112.3	G382 I384 Y390	G382-K386 WeakPolarHBondContact O-CB 3.42Å; G382-K386 PolarHBondContact O-N 2.99Å; I384-K386 VanDerWaalsContact C-N 3.32Å; I384-K386 PolarHBondContact O-N 2.88Å; K386-Y390 WeakPolarHBondContact O-CD2 3.3Å; K386-Y390 PolarHBondContact O-N 2.8Å
387	A	57.5	Low	55.8	Low	41 Å²	41	118.9 Å²	118.9	34%	0.339	60%	0.604	S	S	.	*	H	α-helix	trans	-70.5	-37.7	173.8	0	0	0	0	0	111.9	Y383 I384 S385 Y390 F391	Y383-A387 VanDerWaalsContact O-CB 3.24Å; Y383-A387 WeakPolarHBondContact O-CB 3.47Å; Y383-A387 PolarHBondContact O-N 3.44Å; I384-A387 PolarHBondContact O-N 2.74Å; I384-A387 VanDerWaalsContact O-N 3.16Å; S385-A387 VanDerWaalsContact C-N 3.34Å; S385-A387 PolarHBondContact O-N 3.05Å; A387-Y390 CarbonylContact O-C 3.54Å; A387-Y390 WeakPolarHBondContact O-CB 3.43Å; A387-Y390 PolarHBondContact O-N 3.2Å; A387-F391 WeakPolarHBondContact O-CD2 3.42Å; A387-F391 PolarHBondContact O-N 3.04Å
388	E	61.3	Low	56.4	Low	122 Å²	122	111.3 Å²	111.3	57%	0.57	58%	0.582	S	S	*	*	H	α-helix	trans	-67.9	-38.7	178.6	-156.9	168.3	-153.9	0	0	111.6	I384 S385 Y390 F391 L392	I384-E388 WeakPolarHBondContact O-CB 3.25Å; I384-E388 PolarHBondContact O-N 3.35Å; S385-E388 PolarHBondContact O-N 2.71Å; E388-Y390 VanDerWaalsContact C-N 3.32Å; E388-Y390 PolarHBondContact O-N 3.26Å; E388-F391 PolarHBondContact O-N 2.67Å; E388-L392 WeakPolarHBondContact O-CG 3.47Å; E388-L392 PolarHBondContact O-N 2.82Å
389	E	62	Low	57.3	Low	122 Å²	122	110 Å²	110	57%	0.57	57%	0.566	S	S	*	*	H	α-helix	trans	-61.1	-40.6	170.1	-140.6	176.6	-165.3	0	0	111.6	S385 L392 L393	S385-E389 PolarHBondContact O-N 3.45Å; E389-L392 PolarHBondContact O-N 3.27Å; E389-L393 WeakPolarHBondContact O-CD1 3.47Å; E389-L393 PolarHBondContact O-N 3.45Å
390	Y	54.9	Low	57.7	Low	176 Å²	176	111 Å²	111	69%	0.69	56%	0.562	S	S	*	*	H	α-helix	trans	-68.9	-32.1	174.6	-99.6	-96.1	0	0	0	113.5	K386 A387 E388	K386-Y390 WeakPolarHBondContact O-CD2 3.3Å; K386-Y390 PolarHBondContact O-N 2.8Å; A387-Y390 CarbonylContact O-C 3.54Å; A387-Y390 WeakPolarHBondContact O-CB 3.43Å; A387-Y390 PolarHBondContact O-N 3.2Å; E388-Y390 VanDerWaalsContact C-N 3.32Å; E388-Y390 PolarHBondContact O-N 3.26Å
391	F	56.5	Low	57.9	Low	142 Å²	142	114.3 Å²	114.3	62%	0.623	57%	0.567	S	S	*	*	H	α-helix	trans	-76.8	-27	176.6	-85.5	-66.8	0	0	0	113.1	A387 E388	A387-F391 WeakPolarHBondContact O-CD2 3.42Å; A387-F391 PolarHBondContact O-N 3.04Å; E388-F391 PolarHBondContact O-N 2.67Å
392	L	56.8	Low	58.1	Low	148 Å²	148	113.3 Å²	113.3	78%	0.775	56%	0.559	S	S	*	*	H	α-helix	trans	-80	-33	176.1	-77.5	166.5	0	0	0	112.8	E388 E389	E388-L392 WeakPolarHBondContact O-CG 3.47Å; E388-L392 PolarHBondContact O-N 2.82Å; E389-L392 PolarHBondContact O-N 3.27Å
393	L	58.1	Low	57.9	Low	155 Å²	155	118.7 Å²	118.7	81%	0.812	57%	0.567	S	S	*	*	H	α-helix	trans	-79	-20.1	179.6	-97.9	97.6	0	0	0	114.6	E389	E389-L393 WeakPolarHBondContact O-CD1 3.47Å; E389-L393 PolarHBondContact O-N 3.45Å
394	K	51.7	Low	57.6	Low	80 Å²	80	115 Å²	115	35%	0.348	56%	0.557	S	S	.	*	S	Bend	trans	-128.6	122.3	-173.6	-161.3	162	178.3	-179.9	0	111.8	D398 L399 E402	K394-D398 HydrophobicContact CG-CB 4.27Å; K394-L399 HydrophobicContact CD-CD2 4.24Å; K394-L399 HydrophobicContact CD-CG 4.28Å; K394-L399 HydrophobicContact CG-CG 4.35Å; K394-E402 IonicContact NZ-OE2 2.69Å; K394-E402 PolarHBondContact NZ-OE2 2.96Å
395	S	58.1	Low	57.4	Low	52 Å²	52	114.2 Å²	114.2	36%	0.364	56%	0.559	S	S	.	*			trans	-61	139.6	-179.6	87	0	0	0	0	110.8	S397 D398	S395-S397 PolarHBondContact O-N 3.25Å; S395-S397 PolarHBondContact OG-OG 3.17Å; S395-D398 PolarHBondContact O-N 2.98Å; S395-D398 PolarHBondContact OG-N 3.37Å; S395-D398 PolarHBondContact OG-OD2 3.35Å
396	R	56.4	Low	57.1	Low	202 Å²	202	119 Å²	119	76%	0.762	57%	0.574	S	S	*	*	H	α-helix	trans	-59.8	-22	-178.6	-165.8	174.4	162.9	134.7	-2.9	112.8
397	S	61.1	Low	57	Low	69 Å²	69	123.3 Å²	123.3	48%	0.483	59%	0.587	S	S	.	*	H	α-helix	trans	-67	-43	171.8	23.4	0	0	0	0	113	S395 L399 M400 F401	S395-S397 PolarHBondContact O-N 3.25Å; S395-S397 PolarHBondContact OG-OG 3.17Å; S397-L399 VanDerWaalsContact C-N 3.33Å; S397-L399 PolarHBondContact O-N 3Å; S397-M400 PolarHBondContact O-N 3.37Å; S397-F401 VanDerWaalsContact O-CD2 3.24Å; S397-F401 WeakPolarHBondContact O-CD2 3.46Å; S397-F401 PolarHBondContact O-N 2.98Å
398	D	59.2	Low	56.6	Low	86 Å²	86	127.2 Å²	127.2	46%	0.46	60%	0.598	S	S	.	*	H	α-helix	trans	-68.6	-33.4	-175.8	-67.7	-45	0	0	0	112.5	K394 S395 E402	K394-D398 HydrophobicContact CG-CB 4.27Å; S395-D398 PolarHBondContact O-N 2.98Å; S395-D398 PolarHBondContact OG-N 3.37Å; S395-D398 PolarHBondContact OG-OD2 3.35Å; D398-E402 PolarHBondContact O-N 3.11Å
399	L	59.8	Low	56.3	Low	75 Å²	75	125.6 Å²	125.6	39%	0.393	61%	0.614	S	S	.	*	H	α-helix	trans	-70.6	-28.6	176.2	-75.2	165	0	0	0	113.2	K394 S397	K394-L399 HydrophobicContact CD-CD2 4.24Å; K394-L399 HydrophobicContact CD-CG 4.28Å; K394-L399 HydrophobicContact CG-CG 4.35Å; S397-L399 VanDerWaalsContact C-N 3.33Å; S397-L399 PolarHBondContact O-N 3Å
400	M	57.5	Low	55.8	Low	114 Å²	114	126.8 Å²	126.8	56%	0.562	62%	0.623	S	S	*	*	H	α-helix	trans	-73.1	-40.6	175.3	-70.9	-132.1	-141.7	0	0	111.6	S397 Q404	S397-M400 PolarHBondContact O-N 3.37Å; M400-Q404 WeakPolarHBondContact O-CB 3.26Å; M400-Q404 PolarHBondContact O-N 3.21Å; M400-Q404 VanDerWaalsContact O-N 3.14Å
401	F	57.2	Low	55.6	Low	147 Å²	147	122.9 Å²	122.9	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-68.8	-36.2	179.4	-78.7	-72.3	0	0	0	113	S397 Q404 S405	S397-F401 VanDerWaalsContact O-CD2 3.24Å; S397-F401 WeakPolarHBondContact O-CD2 3.46Å; S397-F401 PolarHBondContact O-N 2.98Å; F401-Q404 PolarHBondContact O-N 3.38Å; F401-S405 WeakPolarHBondContact O-CB 3.36Å; F401-S405 PolarHBondContact O-N 3.42Å
402	E	57.8	Low	55.2	Low	105 Å²	105	127.1 Å²	127.1	49%	0.491	64%	0.639	S	S	.	*	H	α-helix	trans	-64.8	-47.5	-179.5	-162.9	164.4	-171.8	0	0	111.2	K394 D398 Q404 S405 E406	K394-E402 IonicContact NZ-OE2 2.69Å; K394-E402 PolarHBondContact NZ-OE2 2.96Å; D398-E402 PolarHBondContact O-N 3.11Å; E402-Q404 VanDerWaalsContact C-N 3.32Å; E402-Q404 PolarHBondContact O-N 2.92Å; E402-S405 PolarHBondContact O-N 2.94Å; E402-S405 PolarHBondContact O-OG 3.43Å; E402-E406 PolarHBondContact O-N 2.69Å
403	K	54.3	Low	54.6	Low	168 Å²	168	130.7 Å²	130.7	73%	0.73	64%	0.643	S	S	*	*	H	α-helix	trans	-73.5	-22.4	179.6	-140.6	178.1	-171.2	176.5	0	113.7
404	Q	50.3	Low	53.8	Low	119 Å²	119	129 Å²	129	56%	0.556	64%	0.641	S	S	*	*	H	α-helix	trans	-85.6	-25.7	176.8	-157.1	163.9	1.5	0	0	111.8	M400 F401 E402 H408	M400-Q404 WeakPolarHBondContact O-CB 3.26Å; M400-Q404 PolarHBondContact O-N 3.21Å; M400-Q404 VanDerWaalsContact O-N 3.14Å; F401-Q404 PolarHBondContact O-N 3.38Å; E402-Q404 VanDerWaalsContact C-N 3.32Å; E402-Q404 PolarHBondContact O-N 2.92Å; Q404-H408 PolarHBondContact O-N 3.1Å
405	S	56.5	Low	53.3	Low	74 Å²	74	131 Å²	131	52%	0.517	66%	0.66	S	S	.	*	H	α-helix	trans	-71.7	-28.4	174	82.2	0	0	0	0	113.8	F401 E402 H408	F401-S405 WeakPolarHBondContact O-CB 3.36Å; F401-S405 PolarHBondContact O-N 3.42Å; E402-S405 PolarHBondContact O-N 2.94Å; E402-S405 PolarHBondContact O-OG 3.43Å; S405-H408 VanDerWaalsContact O-O 3.1Å
406	E	54.2	Low	52.5	Low	169 Å²	169	136 Å²	136	79%	0.79	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-24.9	175.8	-73.9	-171.4	149.3	0	0	113.1	E402	E402-E406 PolarHBondContact O-N 2.69Å
407	R	55.1	Low	52	Low	224 Å²	224	130.9 Å²	130.9	85%	0.845	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-21.8	-174.6	-128.8	179.6	-163	-171.2	3.8	114.4
408	H	49.7	Very low	51	Low	122 Å²	122	137 Å²	137	57%	0.565	70%	0.702	S	S	*	*	S	Bend	trans	-117.8	112.4	169.3	-75	-70.2	0	0	0	107.8	Q404 S405 L410	Q404-H408 PolarHBondContact O-N 3.1Å; S405-H408 VanDerWaalsContact O-O 3.1Å; H408-L410 HydrophobicContact CB-CD1 4.36Å; H408-L410 HydrophobicContact CB-CG 4.22Å; H408-L410 PolarHBondContact O-N 3.02Å
409	G	55.2	Low	50.6	Low	88 Å²	88	143.6 Å²	143.6	91%	0.907	72%	0.72	S	S	*	*			trans	-61.5	72.1	175	0	0	0	0	0	112.3	A411	G409-A411 PolarHBondContact O-N 3.4Å
410	L	51.7	Low	49.9	Very low	148 Å²	148	145.4 Å²	145.4	78%	0.775	74%	0.737	S	S	*	*			trans	-88.1	96.6	176.8	-72.6	170.9	0	0	0	107.4	H408 R412	H408-L410 HydrophobicContact CB-CD1 4.36Å; H408-L410 HydrophobicContact CB-CG 4.22Å; H408-L410 PolarHBondContact O-N 3.02Å; L410-R412 PolarHBondContact O-N 3.45Å
411	A	49.8	Very low	49.5	Very low	94 Å²	94	144.5 Å²	144.5	78%	0.777	74%	0.739	S	S	*	*			trans	-53	125.4	166.7	0	0	0	0	0	109.6	G409 R413	G409-A411 PolarHBondContact O-N 3.4Å; A411-R413 PolarHBondContact O-N 3.11Å
412	R	48.6	Very low	49.1	Very low	230 Å²	230	140.5 Å²	140.5	87%	0.868	73%	0.733	S	S	*	*			trans	-61.2	102.5	177	-169.8	-179.6	-178.1	-176	3.6	109.3	L410	L410-R412 PolarHBondContact O-N 3.45Å
413	R	44.7	Very low	48.7	Very low	224 Å²	224	138.1 Å²	138.1	85%	0.845	73%	0.728	S	S	*	*			trans	-81.2	124.2	173.6	-155.4	176.8	-172.3	177.4	2.2	108.7	A411 T415	A411-R413 PolarHBondContact O-N 3.11Å; R413-T415 PolarHBondContact O-N 2.99Å
414	P	41.7	Very low	48.7	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	72%	0.722	S	S	*	*			trans	-76.4	114.5	177.3	21.2	-15.2	0	0	0	109.2
415	T	39.6	Very low	49.1	Very low	122 Å²	122	135.3 Å²	135.3	75%	0.748	73%	0.727	S	S	*	*			trans	-83.3	130.1	168.1	41.7	0	0	0	0	110.1	R413 A417	R413-T415 PolarHBondContact O-N 2.99Å; T415-A417 PolarHBondContact O-N 2.84Å
416	T	43.1	Very low	49	Very low	157 Å²	157	137.1 Å²	137.1	96%	0.963	73%	0.727	S	S	*	*	S	Bend	trans	-75.7	41.2	-174.7	39.8	0	0	0	0	114.8
417	A	45	Very low	49	Very low	94 Å²	94	131.9 Å²	131.9	78%	0.777	71%	0.713	S	S	*	*			trans	-118.9	24.9	175.1	0	0	0	0	0	113.1	T415	T415-A417 PolarHBondContact O-N 2.84Å
418	R	41	Very low	49.2	Very low	197 Å²	197	127.3 Å²	127.3	74%	0.743	70%	0.701	S	S	*	*			trans	-94.3	104.3	173.1	-166.7	168.5	-175.2	172.5	1.8	109.1
419	R	49.5	Very low	49.7	Very low	225 Å²	225	126.7 Å²	126.7	85%	0.849	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-54.9	144.2	159.7	-79.5	179.7	177.1	168.8	-0.8	108.4
420	P	44.8	Very low	50.1	Low	113 Å²	113	129.1 Å²	129.1	73%	0.734	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-56.1	141.6	-173.5	24.8	-32.9	0	0	0	109.3	A422	P420-A422 PolarHBondContact O-N 2.92Å; P420-A422 VanDerWaalsContact O-N 3.09Å
421	P	49.6	Very low	50.8	Low	94 Å²	94	127.9 Å²	127.9	61%	0.61	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-60.9	121.6	176.8	27.1	-30.6	0	0	0	107.2	S423	P421-S423 PolarHBondContact O-N 3.37Å
422	A	48.9	Very low	51.7	Low	63 Å²	63	129.2 Å²	129.2	52%	0.521	67%	0.668	S	S	.	*	P	Polyproline II helix	trans	-49.1	135.7	149	0	0	0	0	0	105.9	P420 S424	P420-A422 PolarHBondContact O-N 2.92Å; P420-A422 VanDerWaalsContact O-N 3.09Å; A422-S424 PolarHBondContact O-N 3.23Å
423	S	48.7	Very low	52.8	Low	56 Å²	56	122.9 Å²	122.9	39%	0.392	65%	0.652	S	S	.	*			trans	-30.5	127.7	-177	56.8	0	0	0	0	111	P421 E425 Q426	P421-S423 PolarHBondContact O-N 3.37Å; S423-E425 CarbonylContact O-C 3.53Å; S423-E425 PolarHBondContact O-N 3.41Å; S423-Q426 PolarHBondContact O-N 2.89Å; S423-Q426 VanDerWaalsContact OG-CG 3.32Å; S423-Q426 WeakPolarHBondContact OG-CG 3.44Å; S423-Q426 PolarHBondContact OG-OE1 2.94Å; S423-Q426 VanDerWaalsContact OG-OE1 3.09Å
424	S	56	Low	54.2	Low	86 Å²	86	120 Å²	120	60%	0.601	65%	0.648	S	S	*	*	H	α-helix	trans	-49.6	-27	-177.6	43.2	0	0	0	0	112.4	A422 Q428	A422-S424 PolarHBondContact O-N 3.23Å; S424-Q428 VanDerWaalsContact O-CB 3.32Å; S424-Q428 WeakPolarHBondContact O-CB 3.39Å; S424-Q428 WeakPolarHBondContact O-CG 3.29Å; S424-Q428 PolarHBondContact O-N 3.11Å; S424-Q428 PolarHBondContact O-OE1 3.42Å
425	E	56.9	Low	55.9	Low	141 Å²	141	119.3 Å²	119.3	66%	0.659	64%	0.637	S	S	*	*	H	α-helix	trans	-61.7	-47.1	170.7	-65	-177.8	163.2	0	0	113.6	S423 Q428 Q429	S423-E425 CarbonylContact O-C 3.53Å; S423-E425 PolarHBondContact O-N 3.41Å; E425-Q428 PolarHBondContact O-N 3.27Å; E425-Q429 VanDerWaalsContact O-CB 3.26Å; E425-Q429 WeakPolarHBondContact O-CB 3.36Å; E425-Q429 PolarHBondContact O-N 3.44Å
426	Q	54.3	Low	58	Low	112 Å²	112	118.5 Å²	118.5	52%	0.523	62%	0.623	S	S	.	*	H	α-helix	trans	-66.1	-42.7	-177.7	-81.7	171.1	-29.6	0	0	113.6	S423 Q429 E430	S423-Q426 PolarHBondContact O-N 2.89Å; S423-Q426 VanDerWaalsContact OG-CG 3.32Å; S423-Q426 WeakPolarHBondContact OG-CG 3.44Å; S423-Q426 PolarHBondContact OG-OE1 2.94Å; S423-Q426 VanDerWaalsContact OG-OE1 3.09Å; Q426-Q429 PolarHBondContact O-N 3.42Å; Q426-E430 PolarHBondContact O-N 2.83Å
427	A	56.2	Low	60	Low	59 Å²	59	114.9 Å²	114.9	49%	0.488	60%	0.602	S	S	.	*	H	α-helix	trans	-70.9	-33.7	177.7	0	0	0	0	0	112.2	L431	A427-L431 WeakPolarHBondContact O-CB 3.4Å; A427-L431 PolarHBondContact O-N 3.39Å
428	Q	57.9	Low	61.9	Low	128 Å²	128	113.3 Å²	113.3	60%	0.598	59%	0.589	S	S	*	*	H	α-helix	trans	-69.1	-35.2	170.4	-73.7	176.9	-79.7	0	0	111.4	S424 E425 F432	S424-Q428 VanDerWaalsContact O-CB 3.32Å; S424-Q428 WeakPolarHBondContact O-CB 3.39Å; S424-Q428 WeakPolarHBondContact O-CG 3.29Å; S424-Q428 PolarHBondContact O-N 3.11Å; S424-Q428 PolarHBondContact O-OE1 3.42Å; E425-Q428 PolarHBondContact O-N 3.27Å; Q428-F432 WeakPolarHBondContact O-CB 3.48Å; Q428-F432 PolarHBondContact O-N 3.11Å
429	Q	61.1	Low	64.1	Low	110 Å²	110	107.2 Å²	107.2	51%	0.514	57%	0.574	S	S	.	*	H	α-helix	trans	-69.6	-39.5	177.2	-145.7	76.9	8.8	0	0	112	E425 Q426 F432 N433	E425-Q429 VanDerWaalsContact O-CB 3.26Å; E425-Q429 WeakPolarHBondContact O-CB 3.36Å; E425-Q429 PolarHBondContact O-N 3.44Å; Q426-Q429 PolarHBondContact O-N 3.42Å; Q429-F432 PolarHBondContact O-N 3.38Å; Q429-N433 VanDerWaalsContact O-CB 3.24Å; Q429-N433 WeakPolarHBondContact O-CB 3.34Å; Q429-N433 PolarHBondContact O-N 3Å; Q429-N433 PolarHBondContact O-ND2 2.9Å
430	E	63.7	Low	65.9	Low	139 Å²	139	100.6 Å²	100.6	65%	0.65	56%	0.555	S	S	*	*	H	α-helix	trans	-65.7	-45.7	175	-78.8	178.2	172.5	0	0	111.7	Q426 F432 N433 E434	Q426-E430 PolarHBondContact O-N 2.83Å; E430-F432 VanDerWaalsContact C-N 3.33Å; E430-F432 PolarHBondContact O-N 2.9Å; E430-N433 PolarHBondContact O-N 3.23Å; E430-E434 PolarHBondContact O-N 3.5Å
431	L	64.9	Low	68	Low	122 Å²	122	96.7 Å²	96.7	64%	0.639	54%	0.535	S	S	*	.	H	α-helix	trans	-62.8	-40.3	174.7	-171.5	76.1	0	0	0	111.7	A427 E434 L435	A427-L431 WeakPolarHBondContact O-CB 3.4Å; A427-L431 PolarHBondContact O-N 3.39Å; L431-E434 PolarHBondContact O-N 3.04Å; L431-L435 VanDerWaalsContact O-CB 3.25Å; L431-L435 WeakPolarHBondContact O-CB 3.49Å; L431-L435 PolarHBondContact O-N 3.23Å
432	F	68.8	Low	69.9	Low	122 Å²	122	94.6 Å²	94.6	54%	0.535	53%	0.526	S	S	.	.	H	α-helix	trans	-66.4	-37.9	175.2	-171.2	-96.3	0	0	0	111.6	Q428 Q429 E430 L435 K436	Q428-F432 WeakPolarHBondContact O-CB 3.48Å; Q428-F432 PolarHBondContact O-N 3.11Å; Q429-F432 PolarHBondContact O-N 3.38Å; E430-F432 VanDerWaalsContact C-N 3.33Å; E430-F432 PolarHBondContact O-N 2.9Å; F432-L435 PolarHBondContact O-N 3.45Å; F432-K436 HydrophobicContact CE1-CD 4.27Å; F432-K436 WeakPolarHBondContact O-CB 3.45Å; F432-K436 PolarHBondContact O-N 2.88Å
433	N	71.6	Confident	71.9	Confident	96 Å²	96	95.5 Å²	95.5	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-68.6	-30.9	176.3	-74.8	-18.5	0	0	0	112.8	Q429 E430 P437	Q429-N433 VanDerWaalsContact O-CB 3.24Å; Q429-N433 WeakPolarHBondContact O-CB 3.34Å; Q429-N433 PolarHBondContact O-N 3Å; Q429-N433 PolarHBondContact O-ND2 2.9Å; E430-N433 PolarHBondContact O-N 3.23Å; N433-P437 WeakPolarHBondContact O-CD 3.48Å
434	E	74.1	Confident	74	Confident	163 Å²	163	99.7 Å²	99.7	76%	0.762	53%	0.534	S	S	*	.	H	α-helix	trans	-80.3	-34.8	172.2	-72.7	-144.5	162.2	0	0	113.5	E430 L431 P437	E430-E434 PolarHBondContact O-N 3.5Å; L431-E434 PolarHBondContact O-N 3.04Å; E434-P437 WeakPolarHBondContact O-CD 3.31Å; E434-P437 WeakPolarHBondContact O-CG 3.48Å
435	L	78.1	Confident	75.7	Confident	106 Å²	106	100.3 Å²	100.3	56%	0.555	53%	0.529	S	S	*	.	H	α-helix	trans	-78.2	-30.1	-179.7	-164.9	70.2	0	0	0	112.5	L431 F432 A438 V439	L431-L435 VanDerWaalsContact O-CB 3.25Å; L431-L435 WeakPolarHBondContact O-CB 3.49Å; L431-L435 PolarHBondContact O-N 3.23Å; F432-L435 PolarHBondContact O-N 3.45Å; L435-A438 WeakPolarHBondContact O-CB 3.46Å; L435-A438 PolarHBondContact O-N 3.43Å; L435-V439 HydrophobicContact CG-CG2 4.15Å; L435-V439 WeakPolarHBondContact O-CG2 3.43Å; L435-V439 PolarHBondContact O-N 3.37Å
436	K	83	Confident	77.5	Confident	106 Å²	106	97.7 Å²	97.7	46%	0.461	52%	0.523	S	S	.	.	H	α-helix	trans	-54.7	-51.1	179.1	-178	170.1	-176.8	175.6	0	114	F432 A438 V439 D440	F432-K436 HydrophobicContact CE1-CD 4.27Å; F432-K436 WeakPolarHBondContact O-CB 3.45Å; F432-K436 PolarHBondContact O-N 2.88Å; K436-A438 VanDerWaalsContact C-N 3.28Å; K436-A438 PolarHBondContact O-N 3.05Å; K436-V439 PolarHBondContact O-N 3.27Å; K436-D440 WeakPolarHBondContact CG-OD2 3.49Å; K436-D440 WeakPolarHBondContact O-CB 3.43Å; K436-D440 PolarHBondContact O-N 3.24Å
437	P	85.8	Confident	79.2	Confident	80 Å²	80	96.5 Å²	96.5	52%	0.519	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-30	177.3	24.7	-34.6	0	0	0	113.2	N433 E434 G441	N433-P437 WeakPolarHBondContact O-CD 3.48Å; E434-P437 WeakPolarHBondContact O-CD 3.31Å; E434-P437 WeakPolarHBondContact O-CG 3.48Å; P437-G441 PolarHBondContact O-N 3.19Å
438	A	84.8	Confident	80.9	Confident	62 Å²	62	98.7 Å²	98.7	51%	0.512	52%	0.52	S	S	.	.	H	α-helix	trans	-71.3	-41	174.8	0	0	0	0	0	112.1	L435 K436 G441 A442	L435-A438 WeakPolarHBondContact O-CB 3.46Å; L435-A438 PolarHBondContact O-N 3.43Å; K436-A438 VanDerWaalsContact C-N 3.28Å; K436-A438 PolarHBondContact O-N 3.05Å; A438-G441 PolarHBondContact O-N 3.22Å; A438-A442 WeakPolarHBondContact O-CB 3.47Å; A438-A442 PolarHBondContact O-N 3.36Å
439	V	87.5	Confident	82.5	Confident	69 Å²	69	96.5 Å²	96.5	42%	0.418	51%	0.511	S	S	.	.	H	α-helix	trans	-67.7	-41	174	172.5	0	0	0	0	111	L435 K436 G441 A442 N443	L435-V439 HydrophobicContact CG-CG2 4.15Å; L435-V439 WeakPolarHBondContact O-CG2 3.43Å; L435-V439 PolarHBondContact O-N 3.37Å; K436-V439 PolarHBondContact O-N 3.27Å; V439-G441 VanDerWaalsContact C-N 3.34Å; V439-A442 PolarHBondContact O-N 3.28Å; V439-N443 WeakPolarHBondContact O-CB 3.28Å; V439-N443 VanDerWaalsContact O-CG 3.28Å; V439-N443 PolarHBondContact O-N 3.11Å; V439-N443 PolarHBondContact O-ND2 2.87Å
440	D	86.7	Confident	83.9	Confident	85 Å²	85	99.1 Å²	99.1	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-64.7	-39	175.3	-70	-22.9	0	0	0	111.1	K436 N443 F444	K436-D440 WeakPolarHBondContact CG-OD2 3.49Å; K436-D440 WeakPolarHBondContact O-CB 3.43Å; K436-D440 PolarHBondContact O-N 3.24Å; D440-N443 PolarHBondContact O-N 3.3Å; D440-F444 WeakPolarHBondContact O-CB 3.41Å; D440-F444 PolarHBondContact O-N 3.31Å
441	G	89.9	Confident	85.1	Confident	31 Å²	31	97.5 Å²	97.5	32%	0.32	51%	0.512	S	S	.	.	H	α-helix	trans	-64	-43.4	172	0	0	0	0	0	113.1	P437 A438 V439 F444 I445	P437-G441 PolarHBondContact O-N 3.19Å; A438-G441 PolarHBondContact O-N 3.22Å; V439-G441 VanDerWaalsContact C-N 3.34Å; G441-F444 PolarHBondContact O-N 3.46Å; G441-I445 VanDerWaalsContact O-CG1 3.29Å; G441-I445 WeakPolarHBondContact O-CG1 3.41Å; G441-I445 PolarHBondContact O-N 3.41Å
442	A	89	Confident	86.3	Confident	50 Å²	50	96.5 Å²	96.5	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-42.9	174.6	0	0	0	0	0	111.8	A438 V439 F444 I445 V446	A438-A442 WeakPolarHBondContact O-CB 3.47Å; A438-A442 PolarHBondContact O-N 3.36Å; V439-A442 PolarHBondContact O-N 3.28Å; A442-F444 VanDerWaalsContact C-N 3.33Å; A442-F444 PolarHBondContact O-N 3.24Å; A442-I445 PolarHBondContact O-N 2.84Å; A442-V446 VanDerWaalsContact O-CG2 3.3Å; A442-V446 WeakPolarHBondContact O-CG2 3.2Å; A442-V446 PolarHBondContact O-N 3.24Å
443	N	90.6	Very high	87.3	Confident	82 Å²	82	94.6 Å²	94.6	44%	0.439	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-39	174.8	-76.5	-27.4	0	0	0	111.8	V439 D440 V446 N447	V439-N443 WeakPolarHBondContact O-CB 3.28Å; V439-N443 VanDerWaalsContact O-CG 3.28Å; V439-N443 PolarHBondContact O-N 3.11Å; V439-N443 PolarHBondContact O-ND2 2.87Å; D440-N443 PolarHBondContact O-N 3.3Å; N443-V446 PolarHBondContact O-N 3.39Å; N443-N447 VanDerWaalsContact O-CB 3.31Å; N443-N447 WeakPolarHBondContact O-CB 3.46Å; N443-N447 PolarHBondContact O-N 3.16Å; N443-N447 PolarHBondContact O-ND2 3.48Å
444	F	93.6	Very high	88	Confident	144 Å²	144	93.8 Å²	93.8	63%	0.632	50%	0.496	S	S	*	.	H	α-helix	trans	-63.1	-44.8	173.7	179.8	-95.8	0	0	0	111.7	D440 G441 A442 N447 H448	D440-F444 WeakPolarHBondContact O-CB 3.41Å; D440-F444 PolarHBondContact O-N 3.31Å; G441-F444 PolarHBondContact O-N 3.46Å; A442-F444 VanDerWaalsContact C-N 3.33Å; A442-F444 PolarHBondContact O-N 3.24Å; F444-N447 PolarHBondContact O-N 3.23Å; F444-H448 VanDerWaalsContact O-CB 3.26Å; F444-H448 WeakPolarHBondContact O-CB 3.36Å; F444-H448 PolarHBondContact O-N 3.02Å
445	I	91.9	Very high	88.7	Confident	100 Å²	100	90.3 Å²	90.3	51%	0.513	48%	0.476	S	S	.	.	H	α-helix	trans	-62.1	-45.8	176.6	-67.6	163.9	0	0	0	110.6	G441 A442 N447 H448 I449	G441-I445 VanDerWaalsContact O-CG1 3.29Å; G441-I445 WeakPolarHBondContact O-CG1 3.41Å; G441-I445 PolarHBondContact O-N 3.41Å; A442-I445 PolarHBondContact O-N 2.84Å; I445-N447 PolarHBondContact O-N 3.34Å; I445-H448 PolarHBondContact O-N 3.12Å; I445-I449 HydrophobicContact CG2-CD1 3.64Å; I445-I449 HydrophobicContact CG2-CG1 4.32Å; I445-I449 WeakPolarHBondContact O-CB 3.39Å; I445-I449 VanDerWaalsContact O-CG1 3.23Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 2.88Å
446	V	93.4	Very high	89	Confident	85 Å²	85	88.3 Å²	88.3	52%	0.515	47%	0.466	S	S	.	.	H	α-helix	trans	-61.4	-45	177.9	170.3	0	0	0	0	111	A442 N443 I449 R450	A442-V446 VanDerWaalsContact O-CG2 3.3Å; A442-V446 WeakPolarHBondContact O-CG2 3.2Å; A442-V446 PolarHBondContact O-N 3.24Å; N443-V446 PolarHBondContact O-N 3.39Å; V446-I449 PolarHBondContact O-N 2.92Å; V446-R450 WeakPolarHBondContact O-CB 3.36Å; V446-R450 PolarHBondContact O-N 2.82Å
447	N	91.4	Very high	89.2	Confident	87 Å²	87	89 Å²	89	47%	0.465	47%	0.471	S	S	.	.	H	α-helix	trans	-65.5	-41.7	177.3	-71.8	-20.2	0	0	0	111.5	N443 F444 I445 R450 D451	N443-N447 VanDerWaalsContact O-CB 3.31Å; N443-N447 WeakPolarHBondContact O-CB 3.46Å; N443-N447 PolarHBondContact O-N 3.16Å; N443-N447 PolarHBondContact O-ND2 3.48Å; F444-N447 PolarHBondContact O-N 3.23Å; I445-N447 PolarHBondContact O-N 3.34Å; N447-R450 WeakPolarHBondContact O-CB 3.39Å; N447-R450 PolarHBondContact O-N 2.95Å; N447-D451 WeakPolarHBondContact O-CB 3.33Å; N447-D451 VanDerWaalsContact O-CG 3.3Å; N447-D451 PolarHBondContact O-N 3.42Å
448	H	91.4	Very high	89.1	Confident	105 Å²	105	87.8 Å²	87.8	49%	0.486	46%	0.458	S	S	.	.	H	α-helix	trans	-63.3	-43.8	176.9	-173.4	72.2	0	0	0	112.2	F444 I445 R450 D451 Q452	F444-H448 VanDerWaalsContact O-CB 3.26Å; F444-H448 WeakPolarHBondContact O-CB 3.36Å; F444-H448 PolarHBondContact O-N 3.02Å; I445-H448 PolarHBondContact O-N 3.12Å; H448-R450 VanDerWaalsContact C-N 3.3Å; H448-R450 PolarHBondContact O-N 3.19Å; H448-D451 PolarHBondContact O-N 2.86Å; H448-Q452 VanDerWaalsContact O-CB 3.25Å; H448-Q452 WeakPolarHBondContact O-CB 3.43Å; H448-Q452 PolarHBondContact O-N 2.82Å
449	I	90.7	Very high	89.1	Confident	82 Å²	82	89 Å²	89	42%	0.421	45%	0.452	S	S	.	.	H	α-helix	trans	-62.4	-40.9	174.7	-69.2	168.2	0	0	0	110.2	I445 V446 Q452 N453	I445-I449 HydrophobicContact CG2-CD1 3.64Å; I445-I449 HydrophobicContact CG2-CG1 4.32Å; I445-I449 WeakPolarHBondContact O-CB 3.39Å; I445-I449 VanDerWaalsContact O-CG1 3.23Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 2.88Å; V446-I449 PolarHBondContact O-N 2.92Å; I449-Q452 PolarHBondContact O-N 3.47Å; I449-N453 WeakPolarHBondContact O-CB 3.44Å; I449-N453 PolarHBondContact O-N 3.3Å
450	R	91.6	Very high	89	Confident	166 Å²	166	89.4 Å²	89.4	63%	0.626	45%	0.452	S	S	*	.	H	α-helix	trans	-64.6	-45.9	178	-169.3	178.3	-164	157.2	4.2	112	V446 N447 H448 Q452 N453 N454	V446-R450 WeakPolarHBondContact O-CB 3.36Å; V446-R450 PolarHBondContact O-N 2.82Å; N447-R450 WeakPolarHBondContact O-CB 3.39Å; N447-R450 PolarHBondContact O-N 2.95Å; H448-R450 VanDerWaalsContact C-N 3.3Å; H448-R450 PolarHBondContact O-N 3.19Å; R450-Q452 VanDerWaalsContact C-N 3.33Å; R450-N453 PolarHBondContact O-N 3.41Å; R450-N454 WeakPolarHBondContact O-CB 3.35Å; R450-N454 PolarHBondContact O-N 3.16Å; R450-N454 PolarHBondContact O-ND2 3.38Å; R450-N454 PolarHBondContact O-OD1 3.5Å
451	D	89.3	Confident	89	Confident	104 Å²	104	86.2 Å²	86.2	56%	0.556	44%	0.436	S	S	*	.	H	α-helix	trans	-65.5	-38.9	177.9	-69.6	-20	0	0	0	111.2	N447 H448 N454 Y455	N447-D451 WeakPolarHBondContact O-CB 3.33Å; N447-D451 VanDerWaalsContact O-CG 3.3Å; N447-D451 PolarHBondContact O-N 3.42Å; H448-D451 PolarHBondContact O-N 2.86Å; D451-N454 PolarHBondContact O-N 2.98Å; D451-Y455 VanDerWaalsContact O-CB 3.31Å; D451-Y455 WeakPolarHBondContact O-CB 3.36Å; D451-Y455 PolarHBondContact O-N 3.49Å
452	Q	88.5	Confident	88.9	Confident	101 Å²	101	85.3 Å²	85.3	47%	0.472	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-40.4	174.2	-172.4	175.8	10.1	0	0	112.1	H448 I449 R450 Y455 N456	H448-Q452 VanDerWaalsContact O-CB 3.25Å; H448-Q452 WeakPolarHBondContact O-CB 3.43Å; H448-Q452 PolarHBondContact O-N 2.82Å; I449-Q452 PolarHBondContact O-N 3.47Å; R450-Q452 VanDerWaalsContact C-N 3.33Å; Q452-Y455 PolarHBondContact O-N 2.82Å; Q452-N456 WeakPolarHBondContact O-CB 3.47Å; Q452-N456 PolarHBondContact O-N 3.31Å; Q452-N456 PolarHBondContact O-ND2 3.49Å
453	N	89.9	Confident	88.7	Confident	82 Å²	82	83.5 Å²	83.5	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-65.1	-47.3	175	-74.9	-11.2	0	0	0	111.3	I449 R450 Y455 N456 E457	I449-N453 WeakPolarHBondContact O-CB 3.44Å; I449-N453 PolarHBondContact O-N 3.3Å; R450-N453 PolarHBondContact O-N 3.41Å; N453-Y455 VanDerWaalsContact C-N 3.28Å; N453-Y455 PolarHBondContact O-N 3.01Å; N453-N456 PolarHBondContact O-N 3.01Å; N453-N456 VanDerWaalsContact O-N 3.12Å; N453-E457 WeakPolarHBondContact O-CG 3.45Å; N453-E457 PolarHBondContact O-N 3.46Å
454	N	87.2	Confident	88.4	Confident	80 Å²	80	84 Å²	84	43%	0.428	40%	0.402	S	S	.	.	H	α-helix	trans	-57.9	-42.1	175.5	-68.2	-16	0	0	0	111.5	R450 D451 E457 E458	R450-N454 WeakPolarHBondContact O-CB 3.35Å; R450-N454 PolarHBondContact O-N 3.16Å; R450-N454 PolarHBondContact O-ND2 3.38Å; R450-N454 PolarHBondContact O-OD1 3.5Å; D451-N454 PolarHBondContact O-N 2.98Å; N454-E457 PolarHBondContact O-N 3.09Å; N454-E458 PolarHBondContact O-N 2.94Å; N454-E458 VanDerWaalsContact O-N 3.09Å
455	Y	87.4	Confident	88.1	Confident	90 Å²	90	77.3 Å²	77.3	35%	0.353	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-44.5	175.7	-178.2	-82.3	0	0	0	111.9	T337 P338 D451 Q452 N453 E458 K459	T337-Y455 WeakPolarHBondContact CB-OH 3.43Å; T337-Y455 WeakPolarHBondContact CG2-OH 3.34Å; P338-Y455 HydrophobicContact CG-CD1 4.5Å; P338-Y455 HydrophobicContact CG-CD2 3.3Å; P338-Y455 HydrophobicContact CG-CE2 3.36Å; P338-Y455 HydrophobicContact CG-CG 3.9Å; D451-Y455 VanDerWaalsContact O-CB 3.31Å; D451-Y455 WeakPolarHBondContact O-CB 3.36Å; D451-Y455 PolarHBondContact O-N 3.49Å; Q452-Y455 PolarHBondContact O-N 2.82Å; N453-Y455 VanDerWaalsContact C-N 3.28Å; N453-Y455 PolarHBondContact O-N 3.01Å; Y455-E458 PolarHBondContact O-N 3.18Å; Y455-K459 HydrophobicContact CE1-CD 4.5Å; Y455-K459 WeakPolarHBondContact O-CB 3.31Å; Y455-K459 PolarHBondContact O-N 3.31Å
456	N	86.3	Confident	87.9	Confident	64 Å²	64	72.6 Å²	72.6	34%	0.342	35%	0.349	S	S	.	.	H	α-helix	trans	-67	-40.2	178.4	-71.7	-24.2	0	0	0	111.9	Q452 N453 E458 K459 D460	Q452-N456 WeakPolarHBondContact O-CB 3.47Å; Q452-N456 PolarHBondContact O-N 3.31Å; Q452-N456 PolarHBondContact O-ND2 3.49Å; N453-N456 PolarHBondContact O-N 3.01Å; N453-N456 VanDerWaalsContact O-N 3.12Å; N456-E458 VanDerWaalsContact C-N 3.35Å; N456-E458 PolarHBondContact O-N 3.09Å; N456-K459 PolarHBondContact O-N 3.34Å; N456-D460 WeakPolarHBondContact O-CB 3.26Å; N456-D460 PolarHBondContact O-N 3.27Å
457	E	86.6	Confident	87.5	Confident	120 Å²	120	75.2 Å²	75.2	56%	0.561	35%	0.35	S	S	*	.	H	α-helix	trans	-62.3	-40.2	176.5	-75.3	179.1	-172.5	0	0	112.5	N453 N454 D460 S461	N453-E457 WeakPolarHBondContact O-CG 3.45Å; N453-E457 PolarHBondContact O-N 3.46Å; N454-E457 PolarHBondContact O-N 3.09Å; E457-D460 PolarHBondContact O-N 2.88Å; E457-S461 PolarHBondContact O-N 3.31Å; E457-S461 PolarHBondContact O-OG 3.21Å
458	E	84.4	Confident	87.3	Confident	55 Å²	55	71.3 Å²	71.3	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-71.2	-39.3	176.7	-167.9	167.3	-174.4	0	0	111.6	P338 N454 Y455 N456 D460 S461 W462	P338-E458 HydrophobicContact CB-CB 4.2Å; P338-E458 VanDerWaalsContact CB-CD 3.49Å; P338-E458 HydrophobicContact CB-CG 3.97Å; P338-E458 WeakPolarHBondContact CB-OE2 3.49Å; P338-E458 HydrophobicContact CG-CB 4.37Å; N454-E458 PolarHBondContact O-N 2.94Å; N454-E458 VanDerWaalsContact O-N 3.09Å; Y455-E458 PolarHBondContact O-N 3.18Å; N456-E458 VanDerWaalsContact C-N 3.35Å; N456-E458 PolarHBondContact O-N 3.09Å; E458-D460 PolarHBondContact O-N 3.22Å; E458-S461 VanDerWaalsContact O-CB 3.32Å; E458-S461 WeakPolarHBondContact O-CB 3.5Å; E458-S461 PolarHBondContact O-N 2.87Å; E458-S461 VanDerWaalsContact O-N 3.16Å; E458-W462 VanDerWaalsContact O-CD1 3.31Å; E458-W462 PolarHBondContact O-N 3.36Å
459	K	84.4	Confident	87.1	Confident	88 Å²	88	67.1 Å²	67.1	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-43.6	172	-175.7	-178.9	176.7	-176.2	0	111.8	Y455 N456 S461 W462 N463	Y455-K459 HydrophobicContact CE1-CD 4.5Å; Y455-K459 WeakPolarHBondContact O-CB 3.31Å; Y455-K459 PolarHBondContact O-N 3.31Å; N456-K459 PolarHBondContact O-N 3.34Å; K459-S461 PolarHBondContact O-N 3.48Å; K459-W462 WeakPolarHBondContact O-CB 3.43Å; K459-W462 PolarHBondContact O-N 3.23Å; K459-N463 PolarHBondContact O-N 3.02Å
460	D	85.3	Confident	87.1	Confident	77 Å²	77	63.8 Å²	63.8	41%	0.412	29%	0.294	S	S	.	.	H	α-helix	trans	-64.4	-32.8	175.5	-78.4	-16.4	0	0	0	112	N456 E457 E458 N463 R464	N456-D460 WeakPolarHBondContact O-CB 3.26Å; N456-D460 PolarHBondContact O-N 3.27Å; E457-D460 PolarHBondContact O-N 2.88Å; E458-D460 PolarHBondContact O-N 3.22Å; D460-N463 PolarHBondContact O-N 3.22Å; D460-R464 WeakPolarHBondContact O-CG 3.39Å; D460-R464 PolarHBondContact O-N 3.47Å
461	S	86.9	Confident	86.9	Confident	18 Å²	18	59.8 Å²	59.8	13%	0.126	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-44.1	172.6	-59.2	0	0	0	0	111.6	E457 E458 K459 R464 V465	E457-S461 PolarHBondContact O-N 3.31Å; E457-S461 PolarHBondContact O-OG 3.21Å; E458-S461 VanDerWaalsContact O-CB 3.32Å; E458-S461 WeakPolarHBondContact O-CB 3.5Å; E458-S461 PolarHBondContact O-N 2.87Å; E458-S461 VanDerWaalsContact O-N 3.16Å; K459-S461 PolarHBondContact O-N 3.48Å; S461-R464 PolarHBondContact O-N 3.01Å; S461-R464 PolarHBondContact OG-NH2 2.98Å; S461-V465 WeakPolarHBondContact O-CG2 3.24Å; S461-V465 PolarHBondContact O-N 3.34Å
462	W	86.8	Confident	86.9	Confident	11 Å²	11	57.5 Å²	57.5	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-41.2	172.6	-79.4	109.4	0	0	0	112.7	I333 R336 H341 L343 E458 K459 R464 V465 A466	I333-W462 HydrophobicContact CG2-CE3 3.91Å; I333-W462 HydrophobicContact CG2-CZ3 4.17Å; R336-W462 HydrophobicContact CB-CD2 3.78Å; R336-W462 HydrophobicContact CB-CE3 4.02Å; R336-W462 HydrophobicContact CB-CG 4.07Å; R336-W462 VanDerWaalsContact CD-CZ3 3.48Å; H341-W462 HydrophobicContact CB-CZ2 4.1Å; L343-W462 HydrophobicContact CB-CZ2 3.81Å; L343-W462 HydrophobicContact CD1-CD2 4.24Å; L343-W462 HydrophobicContact CD1-CE3 4.26Å; L343-W462 HydrophobicContact CD1-CH2 3.72Å; L343-W462 HydrophobicContact CD1-CZ2 3.71Å; L343-W462 HydrophobicContact CD1-CZ3 4Å; L343-W462 HydrophobicContact CG-CZ2 4.32Å; E458-W462 VanDerWaalsContact O-CD1 3.31Å; E458-W462 PolarHBondContact O-N 3.36Å; K459-W462 WeakPolarHBondContact O-CB 3.43Å; K459-W462 PolarHBondContact O-N 3.23Å; W462-R464 VanDerWaalsContact C-N 3.34Å; W462-R464 PolarHBondContact O-N 3.48Å; W462-V465 PolarHBondContact O-N 3.43Å; W462-A466 PolarHBondContact O-N 2.89Å
463	N	85.9	Confident	86.9	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.07	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-42.1	174.4	-72.9	-17	0	0	0	112	H334 K459 D460 A466 R467	H334-N463 PolarHBondContact CD2-OD1 3.44Å; H334-N463 VanDerWaalsContact CD2-OD1 3.28Å; H334-N463 PolarHBondContact NE2-OD1 3.41Å; H334-N463 PolarHBondContact O-OD1 3.33Å; K459-N463 PolarHBondContact O-N 3.02Å; D460-N463 PolarHBondContact O-N 3.22Å; N463-A466 PolarHBondContact O-N 2.95Å; N463-R467 WeakPolarHBondContact O-CG 3.33Å; N463-R467 PolarHBondContact O-N 3.32Å
464	R	84	Confident	86.9	Confident	92 Å²	92	51.2 Å²	51.2	35%	0.347	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-42.1	174.5	-76	-175.1	-69.5	-102	2.2	112	L352 D460 S461 W462 R467 T468	L352-R464 HydrophobicContact CD2-CB 3.62Å; D460-R464 WeakPolarHBondContact O-CG 3.39Å; D460-R464 PolarHBondContact O-N 3.47Å; S461-R464 PolarHBondContact O-N 3.01Å; S461-R464 PolarHBondContact OG-NH2 2.98Å; W462-R464 VanDerWaalsContact C-N 3.34Å; W462-R464 PolarHBondContact O-N 3.48Å; R464-R467 PolarHBondContact O-N 2.91Å; R464-T468 WeakPolarHBondContact O-CB 3.42Å; R464-T468 PolarHBondContact O-N 3.1Å; R464-T468 PolarHBondContact O-OG1 3.48Å
465	V	87.3	Confident	87.1	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-47.6	175	173.2	0	0	0	0	110.3	I333 V347 F351 L352 S461 W462 R467 T468 V469	I333-V465 HydrophobicContact CG2-CB 4.49Å; I333-V465 HydrophobicContact CG2-CG1 3.98Å; V347-V465 HydrophobicContact CG1-CG1 4.48Å; F351-V465 HydrophobicContact CB-CB 4.4Å; F351-V465 HydrophobicContact CB-CG1 3.99Å; F351-V465 HydrophobicContact CB-CG2 4Å; F351-V465 HydrophobicContact CD1-CG1 4.44Å; F351-V465 HydrophobicContact CD2-CG1 4.23Å; F351-V465 HydrophobicContact CG-CG1 3.98Å; L352-V465 HydrophobicContact CD2-CG2 4Å; L352-V465 HydrophobicContact CG-CG2 4.14Å; S461-V465 WeakPolarHBondContact O-CG2 3.24Å; S461-V465 PolarHBondContact O-N 3.34Å; W462-V465 PolarHBondContact O-N 3.43Å; V465-R467 PolarHBondContact O-N 3.47Å; V465-T468 PolarHBondContact O-N 2.99Å; V465-T468 VanDerWaalsContact O-N 3.1Å; V465-V469 HydrophobicContact CG1-CG2 4.45Å; V465-V469 WeakPolarHBondContact O-CG2 3.41Å; V465-V469 PolarHBondContact O-N 3.29Å
466	A	87.1	Confident	87.2	Confident	2 Å²	2	52.2 Å²	52.2	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-46	178.2	0	0	0	0	0	112.3	V330 I333 H334 W462 N463 T468 V469 D470	V330-A466 HydrophobicContact CG1-CB 4.34Å; I333-A466 HydrophobicContact CB-CB 4.44Å; I333-A466 HydrophobicContact CG2-CB 4.02Å; H334-A466 HydrophobicContact CB-CB 3.84Å; W462-A466 PolarHBondContact O-N 2.89Å; N463-A466 PolarHBondContact O-N 2.95Å; A466-T468 VanDerWaalsContact C-N 3.28Å; A466-T468 PolarHBondContact O-N 3.5Å; A466-V469 PolarHBondContact O-N 3.44Å; A466-D470 WeakPolarHBondContact O-CB 3.36Å; A466-D470 PolarHBondContact O-N 3.25Å
467	R	86	Confident	87.4	Confident	139 Å²	139	49.8 Å²	49.8	53%	0.525	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-36.5	175	-69.3	-179.2	-148	153	5	112.4	N463 R464 V465 D470 R471	N463-R467 WeakPolarHBondContact O-CG 3.33Å; N463-R467 PolarHBondContact O-N 3.32Å; R464-R467 PolarHBondContact O-N 2.91Å; V465-R467 PolarHBondContact O-N 3.47Å; R467-D470 WeakPolarHBondContact O-CB 3.47Å; R467-D470 PolarHBondContact O-N 3.12Å; R467-R471 VanDerWaalsContact O-CG 3.3Å; R467-R471 WeakPolarHBondContact O-CG 3.32Å; R467-R471 PolarHBondContact O-N 3.48Å
468	T	86.8	Confident	87.6	Confident	6 Å²	6	45.9 Å²	45.9	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-43.1	-179.9	-53.3	0	0	0	0	111.2	F351 L355 P356 L359 M361 R464 V465 A466 D470 R471 L472	F351-T468 HydrophobicContact CD1-CG2 4.48Å; F351-T468 WeakPolarHBondContact O-CG2 3.49Å; F351-T468 PolarHBondContact O-OG1 3.39Å; L355-T468 HydrophobicContact CB-CG2 3.7Å; P356-T468 HydrophobicContact CG-CG2 4.1Å; L359-T468 HydrophobicContact CD1-CG2 4.4Å; M361-T468 HydrophobicContact CE-CG2 3.83Å; R464-T468 WeakPolarHBondContact O-CB 3.42Å; R464-T468 PolarHBondContact O-N 3.1Å; R464-T468 PolarHBondContact O-OG1 3.48Å; V465-T468 PolarHBondContact O-N 2.99Å; V465-T468 VanDerWaalsContact O-N 3.1Å; A466-T468 VanDerWaalsContact C-N 3.28Å; A466-T468 PolarHBondContact O-N 3.5Å; T468-D470 VanDerWaalsContact C-N 3.32Å; T468-D470 PolarHBondContact O-N 2.96Å; T468-R471 PolarHBondContact O-N 2.87Å; T468-L472 WeakPolarHBondContact O-CB 3.46Å; T468-L472 PolarHBondContact O-N 3.14Å
469	V	87.9	Confident	87.9	Confident	16 Å²	16	46.5 Å²	46.5	10%	0.097	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-44.1	172.7	176.5	0	0	0	0	110.6	V330 I333 F351 V465 A466 R471 L472 C473	V330-V469 HydrophobicContact CG2-CB 4.39Å; V330-V469 HydrophobicContact CG2-CG1 3.78Å; I333-V469 HydrophobicContact CD1-CG2 4.39Å; F351-V469 HydrophobicContact CD1-CG2 3.8Å; F351-V469 HydrophobicContact CE1-CG2 3.45Å; F351-V469 VanDerWaalsContact CE1-CG2 3.45Å; F351-V469 HydrophobicContact CZ-CG2 4.11Å; V465-V469 HydrophobicContact CG1-CG2 4.45Å; V465-V469 WeakPolarHBondContact O-CG2 3.41Å; V465-V469 PolarHBondContact O-N 3.29Å; A466-V469 PolarHBondContact O-N 3.44Å; V469-R471 PolarHBondContact O-N 3.34Å; V469-L472 WeakPolarHBondContact O-CB 3.36Å; V469-L472 PolarHBondContact O-N 3.41Å; V469-C473 WeakPolarHBondContact O-CB 3.43Å; V469-C473 PolarHBondContact O-N 3.44Å; V469-C473 PolarHBondContact O-SG 2.85Å
470	D	89.4	Confident	88.3	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.064	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-47.1	179.8	-153	25.1	0	0	0	112.5	F268 K277 V330 A466 R467 T468 C473 L474	F268-D470 WeakPolarHBondContact CA-OD1 3.46Å; F268-D470 VanDerWaalsContact CD1-OD1 3.29Å; F268-D470 WeakPolarHBondContact CD1-OD1 3.41Å; F268-D470 VanDerWaalsContact O-CG 3.26Å; K277-D470 IonicContact NZ-OD1 3.37Å; K277-D470 PolarHBondContact NZ-OD1 3.2Å; K277-D470 IonicContact NZ-OD2 2.67Å; K277-D470 PolarHBondContact NZ-OD2 3.47Å; V330-D470 HydrophobicContact CG1-CB 4.34Å; A466-D470 WeakPolarHBondContact O-CB 3.36Å; A466-D470 PolarHBondContact O-N 3.25Å; R467-D470 WeakPolarHBondContact O-CB 3.47Å; R467-D470 PolarHBondContact O-N 3.12Å; T468-D470 VanDerWaalsContact C-N 3.32Å; T468-D470 PolarHBondContact O-N 2.96Å; D470-C473 PolarHBondContact O-N 2.84Å; D470-L474 PolarHBondContact O-N 3.26Å
471	R	88.1	Confident	88.5	Confident	83 Å²	83	42.4 Å²	42.4	31%	0.313	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-41.9	177.1	-68.6	-71.1	176.2	-172.6	-6.1	112	Y269 L359 M361 R467 T468 V469 C473 L474 F475	Y269-R471 VanDerWaalsContact CD2-NH1 3.34Å; Y269-R471 VanDerWaalsContact CE2-NH2 3.31Å; L359-R471 HydrophobicContact CD1-CB 4.48Å; M361-R471 HydrophobicContact CE-CB 3.37Å; M361-R471 HydrophobicContact CE-CG 3.82Å; M361-R471 HydrophobicContact SD-CB 4.28Å; M361-R471 HydrophobicContact SD-CG 4.06Å; R467-R471 VanDerWaalsContact O-CG 3.3Å; R467-R471 WeakPolarHBondContact O-CG 3.32Å; R467-R471 PolarHBondContact O-N 3.48Å; T468-R471 PolarHBondContact O-N 2.87Å; V469-R471 PolarHBondContact O-N 3.34Å; R471-C473 VanDerWaalsContact C-N 3.31Å; R471-C473 PolarHBondContact O-N 3.41Å; R471-L474 WeakPolarHBondContact O-CB 3.5Å; R471-L474 PolarHBondContact O-N 3.4Å; R471-F475 WeakPolarHBondContact O-CD2 3.17Å; R471-F475 PolarHBondContact O-N 3.38Å
472	L	88.8	Confident	88.7	Confident	55 Å²	55	45.5 Å²	45.5	29%	0.288	23%	0.23	S	C	.	.	H	α-helix	trans	-56.9	-47.8	174	178.4	65.5	0	0	0	110.6	L355 L359 T468 V469 L474 F475 V476	L355-L472 HydrophobicContact CD2-CB 4.36Å; L355-L472 HydrophobicContact CD2-CD1 3.72Å; L355-L472 HydrophobicContact CD2-CD2 3.83Å; L355-L472 HydrophobicContact CD2-CG 4.18Å; L359-L472 HydrophobicContact CD1-CB 4.01Å; L359-L472 HydrophobicContact CD1-CD1 4.4Å; T468-L472 WeakPolarHBondContact O-CB 3.46Å; T468-L472 PolarHBondContact O-N 3.14Å; V469-L472 WeakPolarHBondContact O-CB 3.36Å; V469-L472 PolarHBondContact O-N 3.41Å; L472-L474 VanDerWaalsContact C-N 3.33Å; L472-L474 PolarHBondContact O-N 3.23Å; L472-F475 PolarHBondContact O-N 3.1Å; L472-V476 WeakPolarHBondContact O-CG2 3.4Å; L472-V476 PolarHBondContact O-N 3.48Å
473	C	89.1	Confident	88.9	Confident	21 Å²	21	49.7 Å²	49.7	14%	0.142	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-38.9	178.1	-68.8	0	0	0	0	112.1	F268 I326 V469 D470 R471 V476 V477	F268-C473 HydrophobicContact CD1-CB 4.08Å; F268-C473 HydrophobicContact CE1-CB 3.74Å; F268-C473 HydrophobicContact CZ-CB 4.12Å; I326-C473 HydrophobicContact CG2-CB 3.99Å; I326-C473 WeakPolarHBondContact CG2-SG 3.09Å; V469-C473 WeakPolarHBondContact O-CB 3.43Å; V469-C473 PolarHBondContact O-N 3.44Å; V469-C473 PolarHBondContact O-SG 2.85Å; D470-C473 PolarHBondContact O-N 2.84Å; R471-C473 VanDerWaalsContact C-N 3.31Å; R471-C473 PolarHBondContact O-N 3.41Å; C473-V476 PolarHBondContact O-N 3.46Å; C473-V477 VanDerWaalsContact O-CB 3.29Å; C473-V477 WeakPolarHBondContact O-CB 3.32Å; C473-V477 VanDerWaalsContact O-CG2 3.27Å; C473-V477 WeakPolarHBondContact O-CG2 3.43Å; C473-V477 PolarHBondContact O-N 3.41Å
474	L	90.3	Very high	89.2	Confident	30 Å²	30	49.8 Å²	49.8	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-50.2	171.9	-173.9	156.4	0	0	0	111.4	F268 D470 R471 L472 V476 V477 T478	F268-L474 HydrophobicContact CB-CB 3.86Å; F268-L474 HydrophobicContact CB-CD1 4.08Å; F268-L474 HydrophobicContact CB-CG 4.33Å; F268-L474 HydrophobicContact CG-CB 4.39Å; D470-L474 PolarHBondContact O-N 3.26Å; R471-L474 WeakPolarHBondContact O-CB 3.5Å; R471-L474 PolarHBondContact O-N 3.4Å; L472-L474 VanDerWaalsContact C-N 3.33Å; L472-L474 PolarHBondContact O-N 3.23Å; L474-V476 PolarHBondContact O-N 2.92Å; L474-V477 PolarHBondContact O-N 2.84Å; L474-T478 VanDerWaalsContact O-CB 3.28Å; L474-T478 WeakPolarHBondContact O-CB 3.49Å; L474-T478 PolarHBondContact O-N 2.88Å; L474-T478 PolarHBondContact O-OG1 3.38Å
475	F	89.6	Confident	89.4	Confident	109 Å²	109	46.6 Å²	46.6	48%	0.478	25%	0.251	S	S	.	.	H	α-helix	trans	-66.5	-19.3	179.9	-76.1	-67.7	0	0	0	114.1	L359 R471 L472 P479	L359-F475 HydrophobicContact CB-CE2 4.42Å; L359-F475 HydrophobicContact CD2-CB 4.43Å; L359-F475 HydrophobicContact CD2-CD2 3.52Å; L359-F475 HydrophobicContact CD2-CE2 4Å; L359-F475 HydrophobicContact CD2-CG 4.18Å; R471-F475 WeakPolarHBondContact O-CD2 3.17Å; R471-F475 PolarHBondContact O-N 3.38Å; L472-F475 PolarHBondContact O-N 3.1Å; F475-P479 WeakPolarHBondContact O-CD 3.35Å; F475-P479 WeakPolarHBondContact O-CG 3.39Å
476	V	90.2	Very high	89.6	Confident	83 Å²	83	49.1 Å²	49.1	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-89.9	-48.1	174.1	173.5	0	0	0	0	111.4	L472 C473 L474 P479 V480	L472-V476 WeakPolarHBondContact O-CG2 3.4Å; L472-V476 PolarHBondContact O-N 3.48Å; C473-V476 PolarHBondContact O-N 3.46Å; L474-V476 PolarHBondContact O-N 2.92Å; V476-P479 WeakPolarHBondContact O-CD 3.45Å; V476-V480 VanDerWaalsContact O-CG2 3.23Å; V476-V480 WeakPolarHBondContact O-CG2 3.31Å; V476-V480 PolarHBondContact O-N 2.81Å
477	V	90.6	Very high	89.8	Confident	12 Å²	12	56.7 Å²	56.7	7%	0.073	30%	0.3	C	S	.	.	H	α-helix	trans	-71.7	-39.7	-174	173.4	0	0	0	0	111.5	F268 L319 V323 C473 L474 V480 M481	F268-V477 HydrophobicContact CE2-CB 3.93Å; F268-V477 HydrophobicContact CE2-CG1 4Å; F268-V477 HydrophobicContact CE2-CG2 3.96Å; F268-V477 HydrophobicContact CZ-CG2 4.06Å; L319-V477 HydrophobicContact CD1-CG1 4.27Å; L319-V477 HydrophobicContact CD2-CG1 4.16Å; L319-V477 HydrophobicContact CG-CG1 4.26Å; V323-V477 HydrophobicContact CG2-CG1 3.92Å; V323-V477 HydrophobicContact CG2-CG2 4.32Å; C473-V477 VanDerWaalsContact O-CB 3.29Å; C473-V477 WeakPolarHBondContact O-CB 3.32Å; C473-V477 VanDerWaalsContact O-CG2 3.27Å; C473-V477 WeakPolarHBondContact O-CG2 3.43Å; C473-V477 PolarHBondContact O-N 3.41Å; L474-V477 PolarHBondContact O-N 2.84Å; V477-V480 PolarHBondContact O-N 3.31Å; V477-M481 HydrophobicContact CG1-CE 4.37Å; V477-M481 WeakPolarHBondContact O-CB 3.49Å; V477-M481 PolarHBondContact O-N 2.87Å
478	T	90.4	Very high	89.9	Confident	39 Å²	39	50.9 Å²	50.9	24%	0.239	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-48.7	-177.9	-57.3	0	0	0	0	112.3	N265 L474 M481 V482	N265-T478 VanDerWaalsContact CG-OG1 3.31Å; N265-T478 WeakPolarHBondContact OD1-CA 3.4Å; N265-T478 PolarHBondContact OD1-OG1 3.47Å; L474-T478 VanDerWaalsContact O-CB 3.28Å; L474-T478 WeakPolarHBondContact O-CB 3.49Å; L474-T478 PolarHBondContact O-N 2.88Å; L474-T478 PolarHBondContact O-OG1 3.38Å; T478-M481 PolarHBondContact O-N 2.86Å; T478-V482 HydrophobicContact CG2-CG2 4.42Å; T478-V482 WeakPolarHBondContact O-CG2 3.48Å; T478-V482 PolarHBondContact O-N 3.23Å
479	P	91.6	Very high	89.9	Confident	67 Å²	67	53 Å²	53	44%	0.435	29%	0.288	S	S	.	.	H	α-helix	trans	-63.8	-40.7	174.8	-24.9	36.8	0	0	0	113.4	F475 V476 M481 V482 V483	F475-P479 WeakPolarHBondContact O-CD 3.35Å; F475-P479 WeakPolarHBondContact O-CG 3.39Å; V476-P479 WeakPolarHBondContact O-CD 3.45Å; P479-M481 VanDerWaalsContact C-N 3.26Å; P479-M481 PolarHBondContact O-N 3.21Å; P479-V482 PolarHBondContact O-N 2.88Å; P479-V483 VanDerWaalsContact O-CB 3.31Å; P479-V483 WeakPolarHBondContact O-CB 3.25Å; P479-V483 VanDerWaalsContact O-CG2 3.29Å; P479-V483 WeakPolarHBondContact O-CG2 3.47Å; P479-V483 PolarHBondContact O-N 2.98Å
480	V	91.7	Very high	90	Very high	70 Å²	70	56 Å²	56	42%	0.424	30%	0.304	S	S	.	.	H	α-helix	trans	-58.6	-42	176.6	168.9	0	0	0	0	110.7	F315 L319 V476 V477 G484	F315-V480 HydrophobicContact CE2-CG1 4.41Å; F315-V480 HydrophobicContact CZ-CG1 4.13Å; L319-V480 HydrophobicContact CD1-CG1 4.01Å; V476-V480 VanDerWaalsContact O-CG2 3.23Å; V476-V480 WeakPolarHBondContact O-CG2 3.31Å; V476-V480 PolarHBondContact O-N 2.81Å; V477-V480 PolarHBondContact O-N 3.31Å; V480-G484 WeakPolarHBondContact O-CA 3.3Å; V480-G484 PolarHBondContact O-N 2.66Å
481	M	90.3	Very high	90	Very high	9 Å²	9	58.8 Å²	58.8	4%	0.044	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-49.7	176.3	-171.7	-166	-64.5	0	0	111.8	S261 V264 N265 L319 V477 T478 P479 G484 T485	S261-M481 VanDerWaalsContact C-SD 3.56Å; S261-M481 WeakPolarHBondContact O-CE 3.18Å; V264-M481 HydrophobicContact CB-CE 3.93Å; V264-M481 HydrophobicContact CG1-CE 4.25Å; N265-M481 VanDerWaalsContact ND2-CE 3.29Å; N265-M481 WeakPolarHBondContact ND2-CE 3.34Å; N265-M481 PolarHBondContact ND2-SD 2.69Å; N265-M481 WeakPolarHBondContact OD1-CE 3.19Å; L319-M481 HydrophobicContact CD2-CB 3.94Å; L319-M481 HydrophobicContact CD2-CE 3.6Å; L319-M481 HydrophobicContact CD2-CG 3.99Å; V477-M481 HydrophobicContact CG1-CE 4.37Å; V477-M481 WeakPolarHBondContact O-CB 3.49Å; V477-M481 PolarHBondContact O-N 2.87Å; T478-M481 PolarHBondContact O-N 2.86Å; P479-M481 VanDerWaalsContact C-N 3.26Å; P479-M481 PolarHBondContact O-N 3.21Å; M481-G484 PolarHBondContact O-N 3.33Å; M481-T485 HydrophobicContact CG-CG2 4.46Å; M481-T485 WeakPolarHBondContact O-CB 3.35Å; M481-T485 WeakPolarHBondContact O-CG2 3.33Å; M481-T485 PolarHBondContact O-N 2.93Å; M481-T485 PolarHBondContact O-OG1 3.32Å
482	V	90.6	Very high	90	Very high	84 Å²	84	54.8 Å²	54.8	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-46.6	-178	173	0	0	0	0	111.1	T478 P479 T485 A486	T478-V482 HydrophobicContact CG2-CG2 4.42Å; T478-V482 WeakPolarHBondContact O-CG2 3.48Å; T478-V482 PolarHBondContact O-N 3.23Å; P479-V482 PolarHBondContact O-N 2.88Å; V482-T485 WeakPolarHBondContact CA-OG1 3.34Å; V482-T485 PolarHBondContact O-OG1 2.73Å; V482-A486 VanDerWaalsContact O-CB 3.24Å; V482-A486 WeakPolarHBondContact O-CB 3.24Å; V482-A486 PolarHBondContact O-N 3.44Å
483	V	92.3	Very high	89.9	Confident	98 Å²	98	56.3 Å²	56.3	59%	0.594	31%	0.312	S	S	*	.	H	α-helix	trans	-66.5	-43.6	177.7	175.2	0	0	0	0	110.9	P479 A486 W487	P479-V483 VanDerWaalsContact O-CB 3.31Å; P479-V483 WeakPolarHBondContact O-CB 3.25Å; P479-V483 VanDerWaalsContact O-CG2 3.29Å; P479-V483 WeakPolarHBondContact O-CG2 3.47Å; P479-V483 PolarHBondContact O-N 2.98Å; V483-A486 PolarHBondContact O-N 2.82Å; V483-W487 WeakPolarHBondContact O-CB 3.36Å; V483-W487 PolarHBondContact O-N 3.06Å
484	G	90.6	Very high	89.9	Confident	15 Å²	15	63.7 Å²	63.7	16%	0.155	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-46.5	177.9	0	0	0	0	0	112.5	V480 M481 I488	V480-G484 WeakPolarHBondContact O-CA 3.3Å; V480-G484 PolarHBondContact O-N 2.66Å; M481-G484 PolarHBondContact O-N 3.33Å; G484-I488 WeakPolarHBondContact O-CD1 3.23Å; G484-I488 VanDerWaalsContact O-CG1 3.29Å; G484-I488 WeakPolarHBondContact O-CG1 3.46Å; G484-I488 PolarHBondContact O-N 3.31Å; G484-I488 VanDerWaalsContact O-N 3.11Å
485	T	89.6	Confident	90	Very high	25 Å²	25	63.8 Å²	63.8	15%	0.153	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-49.9	176.1	53.4	0	0	0	0	112	F312 M481 V482 W487 I488 F489	F312-T485 HydrophobicContact CD2-CG2 4.23Å; F312-T485 HydrophobicContact CE2-CG2 3.46Å; F312-T485 VanDerWaalsContact CE2-CG2 3.46Å; F312-T485 HydrophobicContact CZ-CG2 4.3Å; M481-T485 HydrophobicContact CG-CG2 4.46Å; M481-T485 WeakPolarHBondContact O-CB 3.35Å; M481-T485 WeakPolarHBondContact O-CG2 3.33Å; M481-T485 PolarHBondContact O-N 2.93Å; M481-T485 PolarHBondContact O-OG1 3.32Å; V482-T485 WeakPolarHBondContact CA-OG1 3.34Å; V482-T485 PolarHBondContact O-OG1 2.73Å; T485-W487 VanDerWaalsContact C-N 3.34Å; T485-W487 PolarHBondContact O-N 3.28Å; T485-I488 PolarHBondContact O-N 3.25Å; T485-F489 WeakPolarHBondContact O-CD2 3.43Å; T485-F489 PolarHBondContact O-N 2.97Å
486	A	90.3	Very high	90	Very high	57 Å²	57	65 Å²	65	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-58.5	-44.8	178.1	0	0	0	0	0	111.9	V482 V483 I488 F489 L490	V482-A486 VanDerWaalsContact O-CB 3.24Å; V482-A486 WeakPolarHBondContact O-CB 3.24Å; V482-A486 PolarHBondContact O-N 3.44Å; V483-A486 PolarHBondContact O-N 2.82Å; A486-I488 PolarHBondContact O-N 3.32Å; A486-F489 PolarHBondContact O-N 3.47Å; A486-L490 WeakPolarHBondContact O-CB 3.39Å; A486-L490 PolarHBondContact O-N 3.33Å
487	W	91.4	Very high	90	Very high	160 Å²	160	62 Å²	62	61%	0.606	33%	0.329	S	S	*	.	H	α-helix	trans	-59.7	-46.8	178.2	178.6	-99.4	0	0	0	112.2	V483 T485 L490 Q491	V483-W487 WeakPolarHBondContact O-CB 3.36Å; V483-W487 PolarHBondContact O-N 3.06Å; T485-W487 VanDerWaalsContact C-N 3.34Å; T485-W487 PolarHBondContact O-N 3.28Å; W487-L490 PolarHBondContact O-N 3.45Å; W487-Q491 WeakPolarHBondContact O-CG 3.31Å; W487-Q491 PolarHBondContact O-N 2.83Å; W487-Q491 VanDerWaalsContact O-N 3.11Å
488	I	89.5	Confident	90	Very high	18 Å²	18	63.8 Å²	63.8	9%	0.092	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-44.8	-179.9	-69.9	162.2	0	0	0	111.2	L308 F312 F315 G484 T485 A486 L490 Q491 G492	L308-I488 HydrophobicContact CD1-CG2 3.74Å; L308-I488 HydrophobicContact CD2-CG2 4.39Å; L308-I488 HydrophobicContact CG-CG2 3.73Å; F312-I488 HydrophobicContact CB-CD1 4.27Å; F312-I488 HydrophobicContact CB-CG2 4.12Å; F312-I488 HydrophobicContact CD2-CD1 4.34Å; F315-I488 HydrophobicContact CD1-CD1 4.42Å; G484-I488 WeakPolarHBondContact O-CD1 3.23Å; G484-I488 VanDerWaalsContact O-CG1 3.29Å; G484-I488 WeakPolarHBondContact O-CG1 3.46Å; G484-I488 PolarHBondContact O-N 3.31Å; G484-I488 VanDerWaalsContact O-N 3.11Å; T485-I488 PolarHBondContact O-N 3.25Å; A486-I488 PolarHBondContact O-N 3.32Å; I488-L490 VanDerWaalsContact C-N 3.35Å; I488-L490 PolarHBondContact O-N 2.87Å; I488-Q491 PolarHBondContact O-N 3.45Å; I488-G492 PolarHBondContact O-N 3.26Å
489	F	86.9	Confident	89.8	Confident	49 Å²	49	67.8 Å²	67.8	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-67	-37.6	178.3	-74.3	-61.6	0	0	0	112.6	F160 L254 V258 T485 A486 Q491 G492 V493	F160-F489 HydrophobicContact CE2-CD1 4.4Å; L254-F489 HydrophobicContact CB-CE1 4.36Å; L254-F489 HydrophobicContact CB-CZ 4.35Å; L254-F489 HydrophobicContact CD1-CD1 4.42Å; L254-F489 HydrophobicContact CD1-CE1 3.58Å; L254-F489 HydrophobicContact CD1-CZ 4.37Å; L254-F489 HydrophobicContact CD2-CE1 3.59Å; L254-F489 HydrophobicContact CD2-CZ 3.82Å; L254-F489 HydrophobicContact CG-CE1 4.02Å; L254-F489 HydrophobicContact CG-CZ 4.39Å; V258-F489 HydrophobicContact CG2-CE2 4.16Å; V258-F489 HydrophobicContact CG2-CZ 4.32Å; T485-F489 WeakPolarHBondContact O-CD2 3.43Å; T485-F489 PolarHBondContact O-N 2.97Å; A486-F489 PolarHBondContact O-N 3.47Å; F489-Q491 VanDerWaalsContact C-N 3.3Å; F489-Q491 PolarHBondContact O-N 2.91Å; F489-G492 PolarHBondContact O-N 2.97Å; F489-G492 VanDerWaalsContact O-N 3.1Å; F489-V493 WeakPolarHBondContact O-CG2 3.26Å; F489-V493 PolarHBondContact O-N 2.82Å
490	L	89.8	Confident	89.7	Confident	81 Å²	81	68.3 Å²	68.3	42%	0.424	36%	0.364	S	S	.	.	H	α-helix	trans	-61.3	-41.4	177.6	-167.6	69.2	0	0	0	111.3	A486 W487 I488 G492 V493 Y494	A486-L490 WeakPolarHBondContact O-CB 3.39Å; A486-L490 PolarHBondContact O-N 3.33Å; W487-L490 PolarHBondContact O-N 3.45Å; I488-L490 VanDerWaalsContact C-N 3.35Å; I488-L490 PolarHBondContact O-N 2.87Å; L490-G492 VanDerWaalsContact C-N 3.31Å; L490-G492 PolarHBondContact O-N 2.89Å; L490-V493 PolarHBondContact O-N 3.25Å; L490-Y494 HydrophobicContact CD1-CD2 4Å; L490-Y494 HydrophobicContact CD1-CE2 3.39Å; L490-Y494 HydrophobicContact CD2-CE2 3.99Å; L490-Y494 HydrophobicContact CG-CD2 3.74Å; L490-Y494 HydrophobicContact CG-CE2 3.44Å; L490-Y494 VanDerWaalsContact CG-CE2 3.44Å; L490-Y494 WeakPolarHBondContact O-CD2 3.41Å; L490-Y494 PolarHBondContact O-N 2.92Å; L490-Y494 VanDerWaalsContact O-N 3.1Å
491	Q	88.9	Confident	89.6	Confident	69 Å²	69	65.3 Å²	65.3	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-40.2	173	-72	-174.1	-11.4	0	0	112.6	Y157 L308 W487 I488 F489 N495	Y157-Q491 HydrophobicContact CE1-CB 4.45Å; L308-Q491 HydrophobicContact CD1-CB 4.33Å; W487-Q491 WeakPolarHBondContact O-CG 3.31Å; W487-Q491 PolarHBondContact O-N 2.83Å; W487-Q491 VanDerWaalsContact O-N 3.11Å; I488-Q491 PolarHBondContact O-N 3.45Å; F489-Q491 VanDerWaalsContact C-N 3.3Å; F489-Q491 PolarHBondContact O-N 2.91Å; Q491-N495 PolarHBondContact O-N 2.89Å
492	G	87.3	Confident	89.6	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.1	-45.3	176.3	0	0	0	0	0	112.8	F160 L308 I488 F489 L490 Y494 N495	F160-G492 VanDerWaalsContact CB-O 3.29Å; F160-G492 WeakPolarHBondContact CB-O 3.29Å; L308-G492 VanDerWaalsContact CD2-CA 3.48Å; I488-G492 PolarHBondContact O-N 3.26Å; F489-G492 PolarHBondContact O-N 2.97Å; F489-G492 VanDerWaalsContact O-N 3.1Å; L490-G492 VanDerWaalsContact C-N 3.31Å; L490-G492 PolarHBondContact O-N 2.89Å; G492-Y494 VanDerWaalsContact C-N 3.33Å; G492-Y494 PolarHBondContact O-N 3.33Å; G492-N495 WeakPolarHBondContact O-CB 3.35Å; G492-N495 PolarHBondContact O-N 3.44Å; G492-N495 VanDerWaalsContact O-N 3.12Å
493	V	86.9	Confident	89.3	Confident	86 Å²	86	68.4 Å²	68.4	52%	0.521	37%	0.366	S	S	.	.	H	α-helix	trans	-65.9	-34.8	-178	172.9	0	0	0	0	112.3	F489 L490 N495	F489-V493 WeakPolarHBondContact O-CG2 3.26Å; F489-V493 PolarHBondContact O-N 2.82Å; L490-V493 PolarHBondContact O-N 3.25Å; V493-N495 VanDerWaalsContact C-N 3.26Å; V493-N495 PolarHBondContact O-N 3.19Å
494	Y	90.3	Very high	88.9	Confident	176 Å²	176	67.8 Å²	67.8	69%	0.69	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.1	176.1	-76.2	-59.3	0	0	0	114.1	L490 G492 Q496	L490-Y494 HydrophobicContact CD1-CD2 4Å; L490-Y494 HydrophobicContact CD1-CE2 3.39Å; L490-Y494 HydrophobicContact CD2-CE2 3.99Å; L490-Y494 HydrophobicContact CG-CD2 3.74Å; L490-Y494 HydrophobicContact CG-CE2 3.44Å; L490-Y494 VanDerWaalsContact CG-CE2 3.44Å; L490-Y494 WeakPolarHBondContact O-CD2 3.41Å; L490-Y494 PolarHBondContact O-N 2.92Å; L490-Y494 VanDerWaalsContact O-N 3.1Å; G492-Y494 VanDerWaalsContact C-N 3.33Å; G492-Y494 PolarHBondContact O-N 3.33Å; Y494-Q496 VanDerWaalsContact C-N 3.27Å; Y494-Q496 PolarHBondContact O-N 3.01Å
495	N	90.9	Very high	88.7	Confident	32 Å²	32	69 Å²	69	17%	0.171	38%	0.382	C	S	.	.			trans	-76.9	79.9	174.6	-175.9	57.1	0	0	0	110.6	Y157 F160 W162 Q491 G492 V493	Y157-N495 WeakPolarHBondContact CB-ND2 3.5Å; Y157-N495 HydrophobicContact CD1-CB 3.96Å; Y157-N495 HydrophobicContact CD2-CB 3.99Å; Y157-N495 WeakPolarHBondContact CD2-OD1 3.25Å; Y157-N495 HydrophobicContact CE1-CB 4.47Å; Y157-N495 HydrophobicContact CE2-CB 4.48Å; Y157-N495 HydrophobicContact CG-CB 3.7Å; F160-N495 PolarHBondContact O-ND2 2.81Å; W162-N495 VanDerWaalsContact CD1-ND2 3.32Å; W162-N495 PolarHBondContact NE1-OD1 3.28Å; Q491-N495 PolarHBondContact O-N 2.89Å; G492-N495 WeakPolarHBondContact O-CB 3.35Å; G492-N495 PolarHBondContact O-N 3.44Å; G492-N495 VanDerWaalsContact O-N 3.12Å; V493-N495 VanDerWaalsContact C-N 3.26Å; V493-N495 PolarHBondContact O-N 3.19Å
496	Q	89.9	Confident	88.4	Confident	135 Å²	135	72.9 Å²	72.9	63%	0.631	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-96.5	148.1	171.3	-64.3	-164.6	-8.3	0	0	110.6	Y494	Y494-Q496 VanDerWaalsContact C-N 3.27Å; Y494-Q496 PolarHBondContact O-N 3.01Å
497	P	90.1	Very high	88.2	Confident	21 Å²	21	71.4 Å²	71.4	14%	0.136	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-59.5	150.3	170.3	26.6	-33.5	0	0	0	109.8	W162 V214 I241	W162-P497 HydrophobicContact CB-CB 4.22Å; W162-P497 HydrophobicContact CD2-CB 4.31Å; W162-P497 HydrophobicContact CG-CB 4.04Å; V214-P497 HydrophobicContact CB-CG 4.41Å; V214-P497 HydrophobicContact CG1-CB 4.42Å; V214-P497 HydrophobicContact CG1-CG 3.94Å; V214-P497 HydrophobicContact CG2-CG 4.11Å; I241-P497 HydrophobicContact CG2-CB 4.26Å
498	P	90	Very high	87.7	Confident	49 Å²	49	65.6 Å²	65.6	32%	0.318	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-61	148.6	178.4	27.5	-35	0	0	0	110.7	H215 Q500	H215-P498 PolarHBondContact NE2-O 2.68Å; P498-Q500 WeakPolarHBondContact CB-O 3.32Å; P498-Q500 WeakPolarHBondContact CG-O 3.15Å; P498-Q500 PolarHBondContact O-N 3.18Å
499	P	87.4	Confident	87.5	Confident	123 Å²	123	65.4 Å²	65.4	80%	0.799	37%	0.372	S	S	*	.	S	Bend	trans	-65.7	-26	-179.9	27.1	-34.9	0	0	0	112.4	H215	H215-P499 PolarHBondContact CE1-O 3.45Å; H215-P499 PolarHBondContact NE2-O 3.2Å
500	Q	89	Confident	87.3	Confident	77 Å²	77	66.4 Å²	66.4	36%	0.36	38%	0.38	S	S	.	.	S	Bend	trans	-115.1	143.5	173.5	-75.1	169.4	-21	0	0	109.6	P498 F502 D505 P506	P498-Q500 WeakPolarHBondContact CB-O 3.32Å; P498-Q500 WeakPolarHBondContact CG-O 3.15Å; P498-Q500 PolarHBondContact O-N 3.18Å; Q500-F502 VanDerWaalsContact C-N 3.32Å; Q500-F502 PolarHBondContact O-N 3.46Å; Q500-D505 PolarHBondContact OE1-O 2.91Å; Q500-P506 PolarHBondContact NE2-O 3.2Å
501	P	89.6	Confident	86.8	Confident	8 Å²	8	65.1 Å²	65.1	5%	0.052	38%	0.375	C	S	.	.	S	Bend	trans	-67.9	-31.5	-178	24.5	-32.6	0	0	0	113.1	H215 P217 I241 Y509	H215-P501 HydrophobicContact CB-CB 4.05Å; P217-P501 HydrophobicContact CB-CG 4.45Å; P217-P501 HydrophobicContact CG-CB 3.86Å; P217-P501 HydrophobicContact CG-CG 4.24Å; I241-P501 HydrophobicContact CD1-CB 3.74Å; P501-Y509 HydrophobicContact CG-CD2 3.68Å; P501-Y509 HydrophobicContact CG-CE2 4.48Å; P501-Y509 HydrophobicContact CG-CG 4.41Å
502	F	89.8	Confident	86.4	Confident	24 Å²	24	70.5 Å²	70.5	11%	0.105	40%	0.4	C	S	.	.	S	Bend	trans	-123.5	124.6	-176.4	-56.7	-75.9	0	0	0	111.7	P217 R219 Y239 Q500 G504 D505 Y509	P217-F502 HydrophobicContact CB-CE2 3.6Å; P217-F502 HydrophobicContact CB-CZ 4.06Å; P217-F502 HydrophobicContact CG-CE2 3.52Å; P217-F502 HydrophobicContact CG-CZ 3.63Å; R219-F502 HydrophobicContact CG-CE2 4.2Å; R219-F502 HydrophobicContact CG-CZ 4.17Å; R219-F502 VanDerWaalsContact NH1-CD1 3.31Å; R219-F502 VanDerWaalsContact NH2-CG 3.3Å; Y239-F502 HydrophobicContact CD2-CE1 4.01Å; Y239-F502 AromaticContact CD2-CZ 3.6Å; Y239-F502 HydrophobicContact CD2-CZ 3.6Å; Y239-F502 AromaticContact CE2-CE1 3.89Å; Y239-F502 HydrophobicContact CE2-CE1 3.89Å; Y239-F502 AromaticContact CE2-CZ 3.76Å; Y239-F502 HydrophobicContact CE2-CZ 3.76Å; Y239-F502 HydrophobicContact CG-CE1 4.41Å; Y239-F502 HydrophobicContact CG-CZ 4.24Å; Q500-F502 VanDerWaalsContact C-N 3.32Å; Q500-F502 PolarHBondContact O-N 3.46Å; F502-G504 PolarHBondContact O-N 2.89Å; F502-D505 HydrophobicContact CB-CB 4.22Å; F502-D505 PolarHBondContact O-N 3.46Å; F502-Y509 AromaticContact CD2-CD2 3.89Å; F502-Y509 HydrophobicContact CD2-CD2 3.89Å; F502-Y509 AromaticContact CD2-CE2 3.49Å; F502-Y509 HydrophobicContact CD2-CE2 3.49Å; F502-Y509 VanDerWaalsContact CD2-CE2 3.49Å; F502-Y509 HydrophobicContact CE2-CD2 4.01Å; F502-Y509 AromaticContact CE2-CE2 3.8Å; F502-Y509 HydrophobicContact CE2-CE2 3.8Å; F502-Y509 HydrophobicContact CE2-CG 4.49Å
503	P	84.6	Confident	85.9	Confident	134 Å²	134	73.9 Å²	73.9	87%	0.87	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	126.3	178.2	27.5	-32.8	0	0	0	110.5
504	G	83.6	Confident	85.7	Confident	84 Å²	84	72.1 Å²	72.1	87%	0.866	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-4.7	177.9	0	0	0	0	0	115.1	F502	F502-G504 PolarHBondContact O-N 2.89Å
505	D	86.2	Confident	85.2	Confident	41 Å²	41	71.2 Å²	71.2	22%	0.219	40%	0.399	C	S	.	.			trans	-100.4	119.8	167.8	-161.8	-30.1	0	0	0	109.3	R219 Q500 F502 Y507 Y509	R219-D505 IonicContact CZ-OD2 2.68Å; R219-D505 IonicContact NH2-OD2 2.74Å; R219-D505 PolarHBondContact NH2-OD2 3.41Å; Q500-D505 PolarHBondContact OE1-O 2.91Å; F502-D505 HydrophobicContact CB-CB 4.22Å; F502-D505 PolarHBondContact O-N 3.46Å; D505-Y507 PolarHBondContact O-N 2.81Å; D505-Y507 VanDerWaalsContact OD1-CB 3.28Å; D505-Y507 WeakPolarHBondContact OD1-CB 3.48Å; D505-Y507 PolarHBondContact OD1-N 2.95Å; D505-Y509 PolarHBondContact OD2-OH 2.97Å
506	P	84.4	Confident	84.6	Confident	107 Å²	107	73.9 Å²	73.9	70%	0.695	41%	0.409	S	S	*	.			trans	-67.9	-12.3	178.6	29.1	-36.2	0	0	0	113.4	Q500	Q500-P506 PolarHBondContact NE2-O 3.2Å
507	Y	85.1	Confident	83.8	Confident	25 Å²	25	74.6 Å²	74.6	10%	0.098	42%	0.416	C	S	.	.			trans	-79.2	138.9	-171.9	-168.4	-117.9	0	0	0	113.2	E196 D505 Y509 D513 R515	E196-Y507 WeakPolarHBondContact OE2-CE1 3.2Å; D505-Y507 PolarHBondContact O-N 2.81Å; D505-Y507 VanDerWaalsContact OD1-CB 3.28Å; D505-Y507 WeakPolarHBondContact OD1-CB 3.48Å; D505-Y507 PolarHBondContact OD1-N 2.95Å; Y507-Y509 AromaticContact CD1-CD1 3.58Å; Y507-Y509 HydrophobicContact CD1-CD1 3.58Å; Y507-Y509 AromaticContact CD1-CD2 3.57Å; Y507-Y509 HydrophobicContact CD1-CD2 3.57Å; Y507-Y509 AromaticContact CD1-CE1 3.64Å; Y507-Y509 HydrophobicContact CD1-CE1 3.64Å; Y507-Y509 AromaticContact CD1-CE2 3.64Å; Y507-Y509 HydrophobicContact CD1-CE2 3.64Å; Y507-Y509 AromaticContact CD1-CG 3.53Å; Y507-Y509 HydrophobicContact CD1-CG 3.53Å; Y507-Y509 AromaticContact CD1-CZ 3.64Å; Y507-Y509 AromaticContact CE1-CD1 3.67Å; Y507-Y509 HydrophobicContact CE1-CD1 3.67Å; Y507-Y509 HydrophobicContact CE1-CD2 4.39Å; Y507-Y509 AromaticContact CE1-CE1 3.94Å; Y507-Y509 HydrophobicContact CE1-CE1 3.94Å; Y507-Y509 AromaticContact CE1-CG 3.89Å; Y507-Y509 HydrophobicContact CE1-CG 3.89Å; Y507-Y509 HydrophobicContact CG-CD2 4.39Å; Y507-Y509 HydrophobicContact CG-CE2 4.35Å; Y507-Y509 WeakPolarHBondContact O-CD2 3.1Å; Y507-D513 HydrophobicContact CE2-CB 4.38Å; Y507-D513 WeakPolarHBondContact CE2-O 3.08Å; Y507-D513 PolarHBondContact OH-O 3.26Å; Y507-R515 HydrophobicContact CE2-CB 4.14Å; Y507-R515 PolarHBondContact OH-N 3.37Å
508	S	81.2	Confident	83.5	Confident	38 Å²	38	77.3 Å²	77.3	27%	0.266	43%	0.43	S	S	.	.			trans	-82.9	-20.8	-176.8	64.2	0	0	0	0	113.6	D510 D513	S508-D510 PolarHBondContact O-N 2.8Å; S508-D513 WeakPolarHBondContact OG-CB 3.33Å; S508-D513 PolarHBondContact OG-OD2 2.78Å
509	Y	85.4	Confident	83.1	Confident	14 Å²	14	78.7 Å²	78.7	6%	0.055	44%	0.436	C	S	.	.			trans	57.9	30.2	-173.8	-65.1	-88.6	0	0	0	113.3	E196 P217 R219 P501 F502 D505 Y507	E196-Y509 HydrophobicContact CB-CD1 3.71Å; E196-Y509 HydrophobicContact CB-CE1 3.96Å; E196-Y509 WeakPolarHBondContact O-CD1 3.48Å; P217-Y509 HydrophobicContact CB-CD1 3.85Å; P217-Y509 HydrophobicContact CB-CD2 4.2Å; P217-Y509 HydrophobicContact CB-CG 3.59Å; R219-Y509 HydrophobicContact CG-CE1 4.17Å; R219-Y509 VanDerWaalsContact NE-CZ 3.29Å; R219-Y509 PolarHBondContact NE-OH 2.88Å; R219-Y509 PolarHBondContact NH2-OH 2.91Å; P501-Y509 HydrophobicContact CG-CD2 3.68Å; P501-Y509 HydrophobicContact CG-CE2 4.48Å; P501-Y509 HydrophobicContact CG-CG 4.41Å; F502-Y509 AromaticContact CD2-CD2 3.89Å; F502-Y509 HydrophobicContact CD2-CD2 3.89Å; F502-Y509 AromaticContact CD2-CE2 3.49Å; F502-Y509 HydrophobicContact CD2-CE2 3.49Å; F502-Y509 VanDerWaalsContact CD2-CE2 3.49Å; F502-Y509 HydrophobicContact CE2-CD2 4.01Å; F502-Y509 AromaticContact CE2-CE2 3.8Å; F502-Y509 HydrophobicContact CE2-CE2 3.8Å; F502-Y509 HydrophobicContact CE2-CG 4.49Å; D505-Y509 PolarHBondContact OD2-OH 2.97Å; Y507-Y509 AromaticContact CD1-CD1 3.58Å; Y507-Y509 HydrophobicContact CD1-CD1 3.58Å; Y507-Y509 AromaticContact CD1-CD2 3.57Å; Y507-Y509 HydrophobicContact CD1-CD2 3.57Å; Y507-Y509 AromaticContact CD1-CE1 3.64Å; Y507-Y509 HydrophobicContact CD1-CE1 3.64Å; Y507-Y509 AromaticContact CD1-CE2 3.64Å; Y507-Y509 HydrophobicContact CD1-CE2 3.64Å; Y507-Y509 AromaticContact CD1-CG 3.53Å; Y507-Y509 HydrophobicContact CD1-CG 3.53Å; Y507-Y509 AromaticContact CD1-CZ 3.64Å; Y507-Y509 AromaticContact CE1-CD1 3.67Å; Y507-Y509 HydrophobicContact CE1-CD1 3.67Å; Y507-Y509 HydrophobicContact CE1-CD2 4.39Å; Y507-Y509 AromaticContact CE1-CE1 3.94Å; Y507-Y509 HydrophobicContact CE1-CE1 3.94Å; Y507-Y509 AromaticContact CE1-CG 3.89Å; Y507-Y509 HydrophobicContact CE1-CG 3.89Å; Y507-Y509 HydrophobicContact CG-CD2 4.39Å; Y507-Y509 HydrophobicContact CG-CE2 4.35Å; Y507-Y509 WeakPolarHBondContact O-CD2 3.1Å
510	D	82.3	Confident	82.9	Confident	70 Å²	70	76.3 Å²	76.3	37%	0.374	42%	0.416	S	S	.	.			trans	-100.4	156.5	177	-159.1	1.9	0	0	0	111.4	S508 Q512 D513	S508-D510 PolarHBondContact O-N 2.8Å; D510-Q512 PolarHBondContact O-N 3.4Å; D510-Q512 VanDerWaalsContact O-N 3.09Å; D510-D513 PolarHBondContact O-N 3.25Å
511	V	80.1	Confident	82.6	Confident	55 Å²	55	76.2 Å²	76.2	33%	0.333	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.1	-177.3	-171.1	0	0	0	0	111.9	W197 K514	W197-V511 HydrophobicContact CD2-CG2 4.28Å; W197-V511 HydrophobicContact CG-CG2 4.28Å; W197-V511 HydrophobicContact CZ2-CB 4.37Å; W197-V511 HydrophobicContact CZ2-CG1 4.09Å; V511-K514 WeakPolarHBondContact O-CE 3.26Å; V511-K514 VanDerWaalsContact O-CG 3.3Å; V511-K514 WeakPolarHBondContact O-CG 3.34Å
512	Q	79.4	Confident	82.1	Confident	181 Å²	181	80.5 Å²	80.5	85%	0.846	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-25	-179.2	-60.5	-171.5	-2.7	0	0	113.6	D510	D510-Q512 PolarHBondContact O-N 3.4Å; D510-Q512 VanDerWaalsContact O-N 3.09Å
513	D	78.3	Confident	81.6	Confident	72 Å²	72	84.3 Å²	84.3	39%	0.385	46%	0.464	S	S	.	.	S	Bend	trans	-107.6	79.2	-175.9	-174.3	16.8	0	0	0	107.5	Y507 S508 D510	Y507-D513 HydrophobicContact CE2-CB 4.38Å; Y507-D513 WeakPolarHBondContact CE2-O 3.08Å; Y507-D513 PolarHBondContact OH-O 3.26Å; S508-D513 WeakPolarHBondContact OG-CB 3.33Å; S508-D513 PolarHBondContact OG-OD2 2.78Å; D510-D513 PolarHBondContact O-N 3.25Å
514	K	82.2	Confident	81.4	Confident	49 Å²	49	80.7 Å²	80.7	21%	0.213	44%	0.435	C	S	.	.			trans	-90.9	130.5	-173.8	-53.9	-176.6	-176.4	177.6	0	111.4	E188 Y193 W197 V511 F516	E188-K514 IonicContact OE1-NZ 3.72Å; E188-K514 IonicContact OE2-NZ 3.78Å; E188-K514 PolarHBondContact OE2-NZ 2.91Å; Y193-K514 HydrophobicContact CD1-CD 4.06Å; Y193-K514 HydrophobicContact CD2-CB 4.46Å; Y193-K514 HydrophobicContact CD2-CD 4.16Å; Y193-K514 HydrophobicContact CE1-CD 3.75Å; Y193-K514 HydrophobicContact CE2-CD 3.88Å; Y193-K514 HydrophobicContact CG-CB 4.34Å; Y193-K514 HydrophobicContact CG-CD 4.25Å; Y193-K514 PolarHBondContact OH-NZ 3.09Å; Y193-K514 VanDerWaalsContact OH-NZ 3.12Å; W197-K514 HydrophobicContact CH2-CG 4Å; V511-K514 WeakPolarHBondContact O-CE 3.26Å; V511-K514 VanDerWaalsContact O-CG 3.3Å; V511-K514 WeakPolarHBondContact O-CG 3.34Å; K514-F516 HydrophobicContact CB-CE2 4.2Å; K514-F516 HydrophobicContact CB-CZ 4.28Å; K514-F516 HydrophobicContact CD-CZ 4.44Å; K514-F516 PolarHBondContact O-N 3.25Å
515	R	79.8	Confident	81.2	Confident	157 Å²	157	80.5 Å²	80.5	59%	0.592	40%	0.402	S	S	*	.			trans	-86.6	95.4	172	-168.6	176.3	-176.4	177.1	1.9	111.4	Y193 P194 Y507	Y193-R515 WeakPolarHBondContact CB-O 3.24Å; P194-R515 VanDerWaalsContact CD-O 3.31Å; P194-R515 WeakPolarHBondContact CD-O 3.32Å; Y507-R515 HydrophobicContact CE2-CB 4.14Å; Y507-R515 PolarHBondContact OH-N 3.37Å
516	F	78.9	Confident	80.8	Confident	87 Å²	87	83.8 Å²	83.8	38%	0.382	42%	0.417	S	S	.	.			trans	-67.4	136.5	171.6	-61.7	-79.3	0	0	0	111.1	E188 R191 Y193 K514	E188-F516 HydrophobicContact CB-CE1 4.4Å; R191-F516 HydrophobicContact CB-CB 4.29Å; R191-F516 HydrophobicContact CB-CD1 3.49Å; R191-F516 VanDerWaalsContact CB-CD1 3.49Å; R191-F516 HydrophobicContact CB-CE1 4.18Å; R191-F516 HydrophobicContact CB-CG 4.2Å; R191-F516 HydrophobicContact CG-CD1 4.48Å; Y193-F516 HydrophobicContact CD1-CD1 4.1Å; Y193-F516 AromaticContact CD1-CE1 3.79Å; Y193-F516 HydrophobicContact CD1-CE1 3.79Å; Y193-F516 HydrophobicContact CE1-CE1 4.44Å; K514-F516 HydrophobicContact CB-CE2 4.2Å; K514-F516 HydrophobicContact CB-CZ 4.28Å; K514-F516 HydrophobicContact CD-CZ 4.44Å; K514-F516 PolarHBondContact O-N 3.25Å
517	I	72.6	Confident	80.5	Confident	150 Å²	150	81.6 Å²	81.6	77%	0.769	39%	0.392	S	S	*	.			trans	-95.8	0	176.7	-61.4	176.3	0	0	0	110.3	T192 P194	T192-I517 PolarHBondContact O-N 3.09Å; P194-I517 HydrophobicContact CG-CD1 4.05Å

Retrieved 517 of 517 residues in 1381.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).