A0A077Z9W2_TRITR Loading...

Thioredoxin domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z9W2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 552 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	63.4	Low	79.5	Confident	177 Å²	177	82.4 Å²	82.4	87%	0.872	43%	0.434	S	S	*	.				0	-59.3	0	-151.2	179.1	-73	0	0	113.6	Q3 I4 V5	M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.73Å; M1-I4 WeakPolarHBondContact O-CB 3.33Å; M1-I4 PolarHBondContact O-N 3.07Å; M1-I4 VanDerWaalsContact O-N 3.11Å; M1-V5 WeakPolarHBondContact O-CG2 3.16Å; M1-V5 PolarHBondContact O-N 3.2Å
2	K	71.2	Confident	80.1	Confident	194 Å²	194	78.6 Å²	78.6	84%	0.843	42%	0.423	S	S	*	.	H	α-helix	trans	-52.5	-43.5	179.9	-73.3	-174.4	179.6	179.4	0	114.1	V5 S6	K2-V5 PolarHBondContact O-N 3.49Å; K2-S6 PolarHBondContact O-N 2.79Å; K2-S6 PolarHBondContact O-OG 3.41Å
3	Q	74.8	Confident	80.5	Confident	155 Å²	155	84.6 Å²	84.6	72%	0.724	44%	0.443	S	S	*	.	H	α-helix	trans	-63.2	-44.4	178.2	-168.1	171	1.1	0	0	112.3	M1 V5 S6 T7	M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 2.73Å; Q3-V5 PolarHBondContact O-N 3.15Å; Q3-S6 WeakPolarHBondContact CA-OG 3.47Å; Q3-S6 PolarHBondContact O-N 3.23Å; Q3-S6 PolarHBondContact O-OG 2.97Å; Q3-T7 WeakPolarHBondContact O-CB 3.45Å; Q3-T7 PolarHBondContact O-N 3.37Å; Q3-T7 PolarHBondContact O-OG1 3.08Å
4	I	76.4	Confident	80.6	Confident	38 Å²	38	83.4 Å²	83.4	20%	0.195	45%	0.445	C	S	.	.	H	α-helix	trans	-59.9	-48.6	176.9	-60.3	-179.2	0	0	0	110.3	M1 S6 T7 Y8 V45	M1-I4 WeakPolarHBondContact O-CB 3.33Å; M1-I4 PolarHBondContact O-N 3.07Å; M1-I4 VanDerWaalsContact O-N 3.11Å; I4-S6 VanDerWaalsContact C-N 3.34Å; I4-S6 PolarHBondContact O-N 2.87Å; I4-T7 WeakPolarHBondContact O-CB 3.34Å; I4-T7 PolarHBondContact O-N 2.87Å; I4-T7 VanDerWaalsContact O-N 3.1Å; I4-Y8 HydrophobicContact CG2-CD2 3.66Å; I4-Y8 HydrophobicContact CG2-CE2 3.66Å; I4-Y8 VanDerWaalsContact O-CD2 3.31Å; I4-Y8 WeakPolarHBondContact O-CD2 3.28Å; I4-Y8 PolarHBondContact O-N 2.87Å; I4-V45 HydrophobicContact CD1-CG2 3.58Å; I4-V45 HydrophobicContact CG2-CG2 4.46Å
5	V	81.1	Confident	80.8	Confident	62 Å²	62	77.9 Å²	77.9	38%	0.376	42%	0.416	S	S	.	.	H	α-helix	trans	-60.4	-42.3	178.3	178.5	0	0	0	0	111.7	M1 K2 Q3 T7 S9 L23	M1-V5 WeakPolarHBondContact O-CG2 3.16Å; M1-V5 PolarHBondContact O-N 3.2Å; K2-V5 PolarHBondContact O-N 3.49Å; Q3-V5 PolarHBondContact O-N 3.15Å; V5-T7 VanDerWaalsContact C-N 3.32Å; V5-T7 PolarHBondContact O-N 2.89Å; V5-S9 WeakPolarHBondContact O-CB 3.25Å; V5-S9 PolarHBondContact O-N 3.01Å; V5-L23 HydrophobicContact CG1-CD2 4.49Å; V5-L23 HydrophobicContact CG2-CD2 3.72Å
6	S	81.3	Confident	80.9	Confident	67 Å²	67	84.1 Å²	84.1	47%	0.469	44%	0.438	S	S	.	.	H	α-helix	trans	-63.5	-39.1	175.2	54.5	0	0	0	0	112.4	K2 Q3 I4 S9 V10	K2-S6 PolarHBondContact O-N 2.79Å; K2-S6 PolarHBondContact O-OG 3.41Å; Q3-S6 WeakPolarHBondContact CA-OG 3.47Å; Q3-S6 PolarHBondContact O-N 3.23Å; Q3-S6 PolarHBondContact O-OG 2.97Å; I4-S6 VanDerWaalsContact C-N 3.34Å; I4-S6 PolarHBondContact O-N 2.87Å; S6-S9 WeakPolarHBondContact O-CB 3.39Å; S6-S9 PolarHBondContact O-N 2.86Å; S6-V10 PolarHBondContact O-N 3.15Å
7	T	81.1	Confident	80.5	Confident	38 Å²	38	84 Å²	84	23%	0.233	46%	0.462	C	S	.	.	H	α-helix	trans	-64.2	-51.4	179.7	-62.4	0	0	0	0	111.6	Q3 I4 V5 S9 V10 I11 M65	Q3-T7 WeakPolarHBondContact O-CB 3.45Å; Q3-T7 PolarHBondContact O-N 3.37Å; Q3-T7 PolarHBondContact O-OG1 3.08Å; I4-T7 WeakPolarHBondContact O-CB 3.34Å; I4-T7 PolarHBondContact O-N 2.87Å; I4-T7 VanDerWaalsContact O-N 3.1Å; V5-T7 VanDerWaalsContact C-N 3.32Å; V5-T7 PolarHBondContact O-N 2.89Å; T7-S9 VanDerWaalsContact C-N 3.26Å; T7-S9 PolarHBondContact O-N 3.18Å; T7-V10 WeakPolarHBondContact O-CB 3.31Å; T7-V10 PolarHBondContact O-N 3.24Å; T7-V10 VanDerWaalsContact O-N 3.11Å; T7-I11 PolarHBondContact O-N 3.32Å; T7-M65 HydrophobicContact CG2-CE 3.53Å; T7-M65 HydrophobicContact CG2-CG 4.2Å; T7-M65 HydrophobicContact CG2-SD 3.11Å; T7-M65 WeakPolarHBondContact CG2-SD 3.5Å
8	Y	87.3	Confident	80.1	Confident	25 Å²	25	86.1 Å²	86.1	10%	0.098	47%	0.468	C	S	.	.	H	α-helix	trans	-68.2	-25.3	177.3	-78.6	-82.3	0	0	0	113	I4 V10 I11 A12 V21 L47 E62 L68	I4-Y8 HydrophobicContact CG2-CD2 3.66Å; I4-Y8 HydrophobicContact CG2-CE2 3.66Å; I4-Y8 VanDerWaalsContact O-CD2 3.31Å; I4-Y8 WeakPolarHBondContact O-CD2 3.28Å; I4-Y8 PolarHBondContact O-N 2.87Å; Y8-V10 VanDerWaalsContact C-N 3.3Å; Y8-V10 PolarHBondContact O-N 3Å; Y8-I11 HydrophobicContact CD1-CD1 4.14Å; Y8-I11 HydrophobicContact CE1-CD1 4.36Å; Y8-I11 PolarHBondContact O-N 3.08Å; Y8-A12 VanDerWaalsContact O-CB 3.31Å; Y8-A12 WeakPolarHBondContact O-CB 3.27Å; Y8-A12 PolarHBondContact O-N 2.7Å; Y8-V21 HydrophobicContact CD1-CG1 3.87Å; Y8-V21 HydrophobicContact CG-CG1 4.39Å; Y8-L47 HydrophobicContact CE1-CD1 3.96Å; Y8-L47 HydrophobicContact CE1-CD2 4.44Å; Y8-E62 WeakPolarHBondContact CE2-OE1 3.35Å; Y8-E62 PolarHBondContact OH-OE1 3.3Å; Y8-L68 HydrophobicContact CD1-CD2 4.43Å; Y8-L68 HydrophobicContact CE1-CD2 3.58Å
9	S	85.8	Confident	80.1	Confident	56 Å²	56	82.9 Å²	82.9	39%	0.392	46%	0.455	S	S	.	.	H	α-helix	trans	-65.2	-34.1	171.8	-177.1	0	0	0	0	112.3	V5 S6 T7 K13	V5-S9 WeakPolarHBondContact O-CB 3.25Å; V5-S9 PolarHBondContact O-N 3.01Å; S6-S9 WeakPolarHBondContact O-CB 3.39Å; S6-S9 PolarHBondContact O-N 2.86Å; T7-S9 VanDerWaalsContact C-N 3.26Å; T7-S9 PolarHBondContact O-N 3.18Å; S9-K13 WeakPolarHBondContact O-CG 3.38Å; S9-K13 PolarHBondContact O-N 2.66Å
10	V	87	Confident	80.4	Confident	93 Å²	93	84.3 Å²	84.3	56%	0.564	47%	0.471	S	S	*	.	H	α-helix	trans	-67.2	-45	173.1	177	0	0	0	0	110.4	S6 T7 Y8 A12 K13 S14	S6-V10 PolarHBondContact O-N 3.15Å; T7-V10 WeakPolarHBondContact O-CB 3.31Å; T7-V10 PolarHBondContact O-N 3.24Å; T7-V10 VanDerWaalsContact O-N 3.11Å; Y8-V10 VanDerWaalsContact C-N 3.3Å; Y8-V10 PolarHBondContact O-N 3Å; V10-A12 PolarHBondContact O-N 3.27Å; V10-K13 PolarHBondContact O-N 3.32Å; V10-S14 PolarHBondContact O-N 3.18Å; V10-S14 VanDerWaalsContact O-N 3.08Å
11	I	85	Confident	80.8	Confident	1 Å²	1	82.7 Å²	82.7	1%	0.005	46%	0.463	C	S	.	.	H	α-helix	trans	-58.8	-50.9	175.7	-63.9	-179.9	0	0	0	110.6	T7 Y8 K13 S14 I15 V21 M65 L68 L69 I72	T7-I11 PolarHBondContact O-N 3.32Å; Y8-I11 HydrophobicContact CD1-CD1 4.14Å; Y8-I11 HydrophobicContact CE1-CD1 4.36Å; Y8-I11 PolarHBondContact O-N 3.08Å; I11-K13 PolarHBondContact O-N 3.39Å; I11-K13 VanDerWaalsContact O-N 3.12Å; I11-S14 WeakPolarHBondContact O-CA 3.17Å; I11-S14 WeakPolarHBondContact O-CB 3.34Å; I11-S14 PolarHBondContact O-N 3.16Å; I11-I15 HydrophobicContact CG2-CD1 4.05Å; I11-I15 HydrophobicContact CG2-CG1 4.45Å; I11-I15 HydrophobicContact CG2-CG2 4.12Å; I11-I15 WeakPolarHBondContact O-CG1 3.26Å; I11-I15 PolarHBondContact O-N 3.32Å; I11-V21 HydrophobicContact CG2-CG2 4.16Å; I11-M65 HydrophobicContact CD1-CE 3.6Å; I11-M65 HydrophobicContact CD1-SD 3.71Å; I11-M65 HydrophobicContact CG1-CE 3.37Å; I11-M65 HydrophobicContact CG1-SD 4.2Å; I11-L68 HydrophobicContact CD1-CD2 3.39Å; I11-L68 HydrophobicContact CD1-CG 4.01Å; I11-L69 HydrophobicContact CG1-CD2 4.39Å; I11-L69 HydrophobicContact CG2-CD2 4.04Å; I11-I72 HydrophobicContact CG2-CD1 3.66Å
12	A	87.5	Confident	82.1	Confident	37 Å²	37	81.4 Å²	81.4	31%	0.306	46%	0.459	S	S	.	.	H	α-helix	trans	-56.3	-31.8	-178.8	0	0	0	0	0	112.8	Y8 V10 V21	Y8-A12 VanDerWaalsContact O-CB 3.31Å; Y8-A12 WeakPolarHBondContact O-CB 3.27Å; Y8-A12 PolarHBondContact O-N 2.7Å; V10-A12 PolarHBondContact O-N 3.27Å; A12-V21 HydrophobicContact CB-CB 4.03Å; A12-V21 HydrophobicContact CB-CG2 3.87Å
13	K	85	Confident	83	Confident	157 Å²	157	78.5 Å²	78.5	68%	0.683	45%	0.452	S	S	*	.	H	α-helix	trans	-73	-41.2	172.3	-72.1	174.1	-177.7	178.5	0	112.3	S9 V10 I11 K16	S9-K13 WeakPolarHBondContact O-CG 3.38Å; S9-K13 PolarHBondContact O-N 2.66Å; V10-K13 PolarHBondContact O-N 3.32Å; I11-K13 PolarHBondContact O-N 3.39Å; I11-K13 VanDerWaalsContact O-N 3.12Å; K13-K16 WeakPolarHBondContact O-CB 3.14Å
14	S	81.5	Confident	83.7	Confident	67 Å²	67	74.2 Å²	74.2	47%	0.469	44%	0.436	S	S	.	.	H	α-helix	trans	-66.9	-36.1	-178.9	-164	0	0	0	0	113	V10 I11	V10-S14 PolarHBondContact O-N 3.18Å; V10-S14 VanDerWaalsContact O-N 3.08Å; I11-S14 WeakPolarHBondContact O-CA 3.17Å; I11-S14 WeakPolarHBondContact O-CB 3.34Å; I11-S14 PolarHBondContact O-N 3.16Å
15	I	83.2	Confident	84.4	Confident	2 Å²	2	76 Å²	76	1%	0.01	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	14.8	-175	71	174.5	0	0	0	112.8	I11 G17 E18 A19 V21 L69 I72	I11-I15 HydrophobicContact CG2-CD1 4.05Å; I11-I15 HydrophobicContact CG2-CG1 4.45Å; I11-I15 HydrophobicContact CG2-CG2 4.12Å; I11-I15 WeakPolarHBondContact O-CG1 3.26Å; I11-I15 PolarHBondContact O-N 3.32Å; I15-G17 PolarHBondContact O-N 3.18Å; I15-G17 VanDerWaalsContact O-N 3.13Å; I15-E18 WeakPolarHBondContact O-CB 3.38Å; I15-E18 PolarHBondContact O-N 3.33Å; I15-A19 HydrophobicContact CD1-CB 3.89Å; I15-A19 PolarHBondContact O-N 3.06Å; I15-A19 VanDerWaalsContact O-N 3.17Å; I15-V21 HydrophobicContact CD1-CG2 3.51Å; I15-V21 HydrophobicContact CG1-CG2 4.45Å; I15-L69 HydrophobicContact CG2-CD2 3.83Å; I15-I72 HydrophobicContact CB-CG2 4.02Å; I15-I72 HydrophobicContact CD1-CD1 4.08Å; I15-I72 HydrophobicContact CD1-CG2 3.92Å; I15-I72 HydrophobicContact CG2-CB 4.3Å; I15-I72 HydrophobicContact CG2-CD1 4.36Å; I15-I72 HydrophobicContact CG2-CG2 3.67Å
16	K	82.3	Confident	84.8	Confident	176 Å²	176	74.5 Å²	74.5	77%	0.765	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-61.6	117.7	-172.1	-176.2	-177.3	178.7	-175.2	0	110.4	K13	K13-K16 WeakPolarHBondContact O-CB 3.14Å
17	G	75.4	Confident	85.2	Confident	83 Å²	83	75.3 Å²	75.3	86%	0.856	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.9	-13.8	-177.5	0	0	0	0	0	113.9	I15	I15-G17 PolarHBondContact O-N 3.18Å; I15-G17 VanDerWaalsContact O-N 3.13Å
18	E	72.8	Confident	85.7	Confident	121 Å²	121	76 Å²	76	57%	0.565	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-44.4	177.4	-63.1	174.7	-133	0	0	111.3	I15 H73	I15-E18 WeakPolarHBondContact O-CB 3.38Å; I15-E18 PolarHBondContact O-N 3.33Å; E18-H73 IonicContact OE1-CE1 3.72Å; E18-H73 IonicContact OE1-ND1 3.44Å; E18-H73 IonicContact OE2-CE1 3.41Å; E18-H73 PolarHBondContact OE2-CE1 2.79Å; E18-H73 IonicContact OE2-CG 3.03Å; E18-H73 IonicContact OE2-ND1 2.84Å; E18-H73 PolarHBondContact OE2-ND1 2.03Å
19	A	80.3	Confident	85.9	Confident	27 Å²	27	81.4 Å²	81.4	22%	0.223	47%	0.474	C	S	.	.	B	Isolated β-bridge	trans	-149.4	169.2	177.5	0	0	0	0	0	111.4	I15 I72	I15-A19 HydrophobicContact CD1-CB 3.89Å; I15-A19 PolarHBondContact O-N 3.06Å; I15-A19 VanDerWaalsContact O-N 3.17Å; A19-I72 HydrophobicContact CB-CG2 3.9Å
20	S	86.8	Confident	86.1	Confident	110 Å²	110	82.8 Å²	82.8	77%	0.769	48%	0.484	S	S	*	.			trans	-118.1	132.5	176.5	-66.1	0	0	0	0	110
21	V	88.8	Confident	86.4	Confident	51 Å²	51	78.5 Å²	78.5	31%	0.309	46%	0.458	S	S	.	.			trans	-97.1	125.7	171.4	-170.3	0	0	0	0	108.5	Y8 I11 A12 I15	Y8-V21 HydrophobicContact CD1-CG1 3.87Å; Y8-V21 HydrophobicContact CG-CG1 4.39Å; I11-V21 HydrophobicContact CG2-CG2 4.16Å; A12-V21 HydrophobicContact CB-CB 4.03Å; A12-V21 HydrophobicContact CB-CG2 3.87Å; I15-V21 HydrophobicContact CD1-CG2 3.51Å; I15-V21 HydrophobicContact CG1-CG2 4.45Å
22	L	90	Very high	86.8	Confident	150 Å²	150	84.6 Å²	84.6	79%	0.785	49%	0.485	S	S	*	.			trans	-116.3	129.2	177.6	-63.6	173.2	0	0	0	109.4
23	L	89.2	Confident	87	Confident	132 Å²	132	90.9 Å²	90.9	69%	0.691	50%	0.501	S	S	*	.			trans	-96.4	122.8	170.6	-176.2	73.5	0	0	0	108.8	V5	V5-L23 HydrophobicContact CG1-CD2 4.49Å; V5-L23 HydrophobicContact CG2-CD2 3.72Å
24	V	90.9	Very high	87.2	Confident	66 Å²	66	86 Å²	86	40%	0.4	48%	0.484	S	S	.	.			trans	-114.9	115.8	176.6	-175.6	0	0	0	0	109.2	C26 T34 C35	V24-C26 PolarHBondContact O-N 2.75Å; V24-T34 HydrophobicContact CG1-CG2 3.94Å; V24-T34 HydrophobicContact CG2-CG2 4.16Å; V24-C35 VanDerWaalsContact CG1-SG 3.57Å
25	D	89.7	Confident	87.8	Confident	74 Å²	74	83.4 Å²	83.4	40%	0.396	47%	0.466	S	S	.	.			trans	-87.2	97.6	173.4	-178.2	-5.8	0	0	0	110.4	S27 T28 G31	D25-S27 PolarHBondContact O-N 3.17Å; D25-S27 VanDerWaalsContact OD1-CB 3.22Å; D25-S27 WeakPolarHBondContact OD1-CB 3.25Å; D25-S27 PolarHBondContact OD1-N 3.29Å; D25-S27 PolarHBondContact OD1-OG 2.87Å; D25-S27 PolarHBondContact OD2-OG 3.13Å; D25-T28 HydrophobicContact CB-CG2 4.13Å; D25-T28 PolarHBondContact O-N 3Å; D25-T28 PolarHBondContact O-OG1 2.87Å; D25-G31 WeakPolarHBondContact O-CA 3.38Å
26	C	90.8	Very high	88.2	Confident	32 Å²	32	91.9 Å²	91.9	22%	0.216	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-4.1	179.3	-54.5	0	0	0	0	114.3	V24 K32 C35 P42	V24-C26 PolarHBondContact O-N 2.75Å; C26-K32 WeakPolarHBondContact O-CG 3.48Å; C26-C35 HydrophobicContact CB-CB 3.95Å; C26-C35 WeakPolarHBondContact CB-SG 3.22Å; C26-C35 WeakPolarHBondContact SG-CB 3.39Å; C26-C35 CovalentContact SG-SG 2.04Å; C26-C35 PolarHBondContact SG-SG 2.9Å; C26-P42 HydrophobicContact CB-CG 4.25Å; C26-P42 VanDerWaalsContact SG-CG 3.59Å
27	S	88.4	Confident	88.5	Confident	83 Å²	83	87.1 Å²	87.1	58%	0.58	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-27.4	173.8	76.2	0	0	0	0	112.7	D25 K32	D25-S27 PolarHBondContact O-N 3.17Å; D25-S27 VanDerWaalsContact OD1-CB 3.22Å; D25-S27 WeakPolarHBondContact OD1-CB 3.25Å; D25-S27 PolarHBondContact OD1-N 3.29Å; D25-S27 PolarHBondContact OD1-OG 2.87Å; D25-S27 PolarHBondContact OD2-OG 3.13Å; S27-K32 WeakPolarHBondContact O-CE 3.42Å
28	T	92.3	Very high	89.1	Confident	53 Å²	53	88 Å²	88	33%	0.325	48%	0.476	S	S	.	.	S	Bend	trans	-75.1	155.6	178.6	65.5	0	0	0	0	112	D25 S30 G31 K32	D25-T28 HydrophobicContact CB-CG2 4.13Å; D25-T28 PolarHBondContact O-N 3Å; D25-T28 PolarHBondContact O-OG1 2.87Å; T28-S30 PolarHBondContact O-N 3.12Å; T28-S30 PolarHBondContact OG1-OG 3.11Å; T28-G31 PolarHBondContact O-N 2.81Å; T28-G31 WeakPolarHBondContact OG1-CA 3.25Å; T28-G31 PolarHBondContact OG1-N 2.86Å; T28-K32 WeakPolarHBondContact O-CG 3.23Å; T28-K32 PolarHBondContact O-N 3.34Å
29	E	91.8	Very high	90	Very high	138 Å²	138	91.1 Å²	91.1	65%	0.645	49%	0.488	S	S	*	.	H	α-helix	trans	-61.6	-42.9	179.6	-163.8	-165.9	153.3	0	0	112.4	K32 R33	E29-K32 PolarHBondContact O-N 3.01Å; E29-R33 PolarHBondContact O-N 2.98Å; E29-R33 IonicContact OE1-CZ 3.19Å; E29-R33 IonicContact OE1-NE 3.46Å; E29-R33 IonicContact OE1-NH2 3.24Å; E29-R33 PolarHBondContact OE1-NH2 2.69Å
30	S	90.7	Very high	90.4	Very high	85 Å²	85	91.1 Å²	91.1	59%	0.594	49%	0.488	S	S	*	.	H	α-helix	trans	-65.3	-44.5	175.4	54.4	0	0	0	0	111.4	T28 K32 R33 T34	T28-S30 PolarHBondContact O-N 3.12Å; T28-S30 PolarHBondContact OG1-OG 3.11Å; S30-K32 PolarHBondContact O-N 2.76Å; S30-R33 PolarHBondContact O-N 3.02Å; S30-T34 PolarHBondContact O-N 3.46Å; S30-T34 VanDerWaalsContact O-N 3.1Å; S30-T34 PolarHBondContact O-OG1 2.8Å
31	G	92.4	Very high	90.4	Very high	3 Å²	3	90.3 Å²	90.3	3%	0.031	48%	0.483	C	S	.	.	H	α-helix	trans	-62.1	-40.2	176.8	0	0	0	0	0	112.9	D25 T28 R33 T34 C35	D25-G31 WeakPolarHBondContact O-CA 3.38Å; T28-G31 PolarHBondContact O-N 2.81Å; T28-G31 WeakPolarHBondContact OG1-CA 3.25Å; T28-G31 PolarHBondContact OG1-N 2.86Å; G31-R33 VanDerWaalsContact C-N 3.29Å; G31-R33 PolarHBondContact O-N 3.06Å; G31-T34 PolarHBondContact O-N 2.95Å; G31-C35 WeakPolarHBondContact O-CB 3.35Å; G31-C35 PolarHBondContact O-N 3.43Å; G31-C35 PolarHBondContact O-SG 2.94Å
32	K	92.6	Very high	90.2	Very high	129 Å²	129	90 Å²	90	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-56.7	-41.4	173.9	-75.5	177.7	-175.4	176	0	112.2	C26 S27 T28 E29 S30 K36	C26-K32 WeakPolarHBondContact O-CG 3.48Å; S27-K32 WeakPolarHBondContact O-CE 3.42Å; T28-K32 WeakPolarHBondContact O-CG 3.23Å; T28-K32 PolarHBondContact O-N 3.34Å; E29-K32 PolarHBondContact O-N 3.01Å; S30-K32 PolarHBondContact O-N 2.76Å; K32-K36 VanDerWaalsContact O-CB 3.23Å; K32-K36 WeakPolarHBondContact O-CB 3.47Å; K32-K36 PolarHBondContact O-N 2.92Å
33	R	92	Very high	89.6	Confident	170 Å²	170	91.2 Å²	91.2	64%	0.642	48%	0.483	S	S	*	.	H	α-helix	trans	-65.1	-46.6	176.5	-64.7	-178.9	-165	-177.8	5.1	111.2	E29 S30 G31 K36 A37	E29-R33 PolarHBondContact O-N 2.98Å; E29-R33 IonicContact OE1-CZ 3.19Å; E29-R33 IonicContact OE1-NE 3.46Å; E29-R33 IonicContact OE1-NH2 3.24Å; E29-R33 PolarHBondContact OE1-NH2 2.69Å; S30-R33 PolarHBondContact O-N 3.02Å; G31-R33 VanDerWaalsContact C-N 3.29Å; G31-R33 PolarHBondContact O-N 3.06Å; R33-K36 PolarHBondContact O-N 3.03Å; R33-A37 WeakPolarHBondContact O-CB 3.36Å; R33-A37 PolarHBondContact O-N 3.2Å
34	T	90.5	Very high	89.1	Confident	54 Å²	54	90.9 Å²	90.9	33%	0.331	49%	0.489	S	S	.	.	H	α-helix	trans	-61.4	-50.3	177	-56.5	0	0	0	0	111.5	V24 S30 G31 K36 A37 F38	V24-T34 HydrophobicContact CG1-CG2 3.94Å; V24-T34 HydrophobicContact CG2-CG2 4.16Å; S30-T34 PolarHBondContact O-N 3.46Å; S30-T34 VanDerWaalsContact O-N 3.1Å; S30-T34 PolarHBondContact O-OG1 2.8Å; G31-T34 PolarHBondContact O-N 2.95Å; T34-K36 VanDerWaalsContact C-N 3.31Å; T34-K36 PolarHBondContact O-N 3.24Å; T34-A37 WeakPolarHBondContact O-CB 3.2Å; T34-A37 PolarHBondContact O-N 2.95Å; T34-A37 VanDerWaalsContact O-N 3.12Å; T34-F38 HydrophobicContact CG2-CD2 3.81Å; T34-F38 HydrophobicContact CG2-CE2 3.95Å; T34-F38 VanDerWaalsContact O-CD2 3.23Å; T34-F38 WeakPolarHBondContact O-CD2 3.25Å; T34-F38 PolarHBondContact O-N 3.35Å
35	C	92.3	Very high	88.8	Confident	12 Å²	12	90.6 Å²	90.6	8%	0.081	49%	0.487	C	S	.	.	H	α-helix	trans	-62.9	-38	-179.8	-58.9	0	0	0	0	111.5	V24 C26 G31 F38 K39 A40	V24-C35 VanDerWaalsContact CG1-SG 3.57Å; C26-C35 HydrophobicContact CB-CB 3.95Å; C26-C35 WeakPolarHBondContact CB-SG 3.22Å; C26-C35 WeakPolarHBondContact SG-CB 3.39Å; C26-C35 CovalentContact SG-SG 2.04Å; C26-C35 PolarHBondContact SG-SG 2.9Å; G31-C35 WeakPolarHBondContact O-CB 3.35Å; G31-C35 PolarHBondContact O-N 3.43Å; G31-C35 PolarHBondContact O-SG 2.94Å; C35-F38 CarbonylContact O-C 3.58Å; C35-F38 PolarHBondContact O-N 3.07Å; C35-K39 PolarHBondContact O-N 2.84Å; C35-A40 HydrophobicContact CB-CB 4.21Å; C35-A40 WeakPolarHBondContact CB-O 3.3Å; C35-A40 PolarHBondContact O-N 3.03Å
36	K	92.1	Very high	88.7	Confident	180 Å²	180	89.2 Å²	89.2	78%	0.783	48%	0.479	S	S	*	.	H	α-helix	trans	-63.7	-44.1	172.2	-172.3	177.6	-179	-179.6	0	112.2	K32 R33 T34 F38 K39	K32-K36 VanDerWaalsContact O-CB 3.23Å; K32-K36 WeakPolarHBondContact O-CB 3.47Å; K32-K36 PolarHBondContact O-N 2.92Å; R33-K36 PolarHBondContact O-N 3.03Å; T34-K36 VanDerWaalsContact C-N 3.31Å; T34-K36 PolarHBondContact O-N 3.24Å; K36-F38 VanDerWaalsContact C-N 3.27Å; K36-F38 PolarHBondContact O-N 3.47Å; K36-K39 PolarHBondContact O-N 3.13Å
37	A	89.4	Confident	88.7	Confident	76 Å²	76	89.3 Å²	89.3	63%	0.628	48%	0.478	S	S	*	.	H	α-helix	trans	-60.8	-36.9	178.6	0	0	0	0	0	112.3	R33 T34	R33-A37 WeakPolarHBondContact O-CB 3.36Å; R33-A37 PolarHBondContact O-N 3.2Å; T34-A37 WeakPolarHBondContact O-CB 3.2Å; T34-A37 PolarHBondContact O-N 2.95Å; T34-A37 VanDerWaalsContact O-N 3.12Å
38	F	88.4	Confident	88.8	Confident	101 Å²	101	86.9 Å²	86.9	44%	0.443	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	12.1	-179.4	-66.6	-70.4	0	0	0	114.5	T34 C35 K36 A40 K48 F50	T34-F38 HydrophobicContact CG2-CD2 3.81Å; T34-F38 HydrophobicContact CG2-CE2 3.95Å; T34-F38 VanDerWaalsContact O-CD2 3.23Å; T34-F38 WeakPolarHBondContact O-CD2 3.25Å; T34-F38 PolarHBondContact O-N 3.35Å; C35-F38 CarbonylContact O-C 3.58Å; C35-F38 PolarHBondContact O-N 3.07Å; K36-F38 VanDerWaalsContact C-N 3.27Å; K36-F38 PolarHBondContact O-N 3.47Å; F38-A40 PolarHBondContact O-N 3.15Å; F38-K48 PolarHBondContact O-NZ 3.11Å; F38-F50 HydrophobicContact CB-CZ 4.35Å; F38-F50 AromaticContact CD1-CE1 3.52Å; F38-F50 HydrophobicContact CD1-CE1 3.52Å; F38-F50 AromaticContact CD1-CZ 3.62Å; F38-F50 HydrophobicContact CD1-CZ 3.62Å; F38-F50 HydrophobicContact CE1-CD1 4.45Å; F38-F50 AromaticContact CE1-CE1 3.81Å; F38-F50 HydrophobicContact CE1-CE1 3.81Å; F38-F50 HydrophobicContact CE1-CZ 4.15Å; F38-F50 HydrophobicContact CG-CE1 4.43Å; F38-F50 HydrophobicContact CG-CZ 4.1Å
39	K	90.1	Very high	88.4	Confident	187 Å²	187	86.3 Å²	86.3	81%	0.813	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	47.1	-177.7	-56.9	178.7	-178.6	178	0	112	C35 K36 K48	C35-K39 PolarHBondContact O-N 2.84Å; K36-K39 PolarHBondContact O-N 3.13Å; K39-K48 PolarHBondContact O-NZ 3.43Å
40	A	88.6	Confident	87.7	Confident	27 Å²	27	83.1 Å²	83.1	22%	0.223	43%	0.433	C	S	.	.			trans	-104.7	124.1	-179.1	0	0	0	0	0	109.9	C35 F38 L46	C35-A40 HydrophobicContact CB-CB 4.21Å; C35-A40 WeakPolarHBondContact CB-O 3.3Å; C35-A40 PolarHBondContact O-N 3.03Å; F38-A40 PolarHBondContact O-N 3.15Å; A40-L46 HydrophobicContact CB-CD2 4.02Å
41	S	87	Confident	86.7	Confident	94 Å²	94	81 Å²	81	66%	0.657	41%	0.414	S	S	*	.			trans	-128.1	86.6	171.7	-171.5	0	0	0	0	108.4
42	P	84	Confident	85.5	Confident	45 Å²	45	87.4 Å²	87.4	29%	0.292	44%	0.438	S	S	.	.			trans	-72.7	134.3	-173.9	28.7	-34.2	0	0	0	112.5	C26 L46	C26-P42 HydrophobicContact CB-CG 4.25Å; C26-P42 VanDerWaalsContact SG-CG 3.59Å; P42-L46 HydrophobicContact CB-CB 3.93Å
43	E	78.2	Confident	84.5	Confident	175 Å²	175	84.2 Å²	84.2	82%	0.818	44%	0.441	S	S	*	.	S	Bend	trans	-136.9	91.7	172.6	-71.6	-171.2	177.3	0	0	111.1
44	P	79.9	Confident	83.4	Confident	124 Å²	124	82 Å²	82	81%	0.805	44%	0.438	S	S	*	.	S	Bend	cis	-84	-10.7	-16.2	34.7	-34.4	0	0	0	113.5
45	V	84.5	Confident	82.7	Confident	61 Å²	61	83.4 Å²	83.4	37%	0.37	44%	0.443	S	S	.	.			trans	-139	138.5	-179.1	175.9	0	0	0	0	109.1	I4	I4-V45 HydrophobicContact CD1-CG2 3.58Å; I4-V45 HydrophobicContact CG2-CG2 4.46Å
46	L	87.4	Confident	81.4	Confident	44 Å²	44	85.8 Å²	85.8	23%	0.23	46%	0.457	C	S	.	.			trans	-129.3	121.4	175.1	-179.7	64.8	0	0	0	108.5	A40 P42 K48 E58 F59	A40-L46 HydrophobicContact CB-CD2 4.02Å; P42-L46 HydrophobicContact CB-CB 3.93Å; L46-K48 VanDerWaalsContact CD2-CE 3.42Å; L46-K48 HydrophobicContact CG-CG 4.36Å; L46-E58 HydrophobicContact CD1-CG 3.91Å; L46-F59 WeakPolarHBondContact CD1-O 3.36Å
47	L	89.6	Confident	80.6	Confident	34 Å²	34	81 Å²	81	18%	0.178	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	125	178.5	179.1	69.4	0	0	0	109.4	Y8 F59 P63 L68	Y8-L47 HydrophobicContact CE1-CD1 3.96Å; Y8-L47 HydrophobicContact CE1-CD2 4.44Å; L47-F59 HydrophobicContact CB-CB 4.06Å; L47-F59 HydrophobicContact CB-CD2 3.99Å; L47-F59 HydrophobicContact CB-CG 4.3Å; L47-F59 HydrophobicContact CD2-CB 4.45Å; L47-F59 HydrophobicContact CD2-CD1 4.46Å; L47-F59 HydrophobicContact CD2-CD2 3.56Å; L47-F59 HydrophobicContact CD2-CE2 3.81Å; L47-F59 HydrophobicContact CD2-CG 3.92Å; L47-F59 HydrophobicContact CD2-CZ 4.36Å; L47-F59 HydrophobicContact CG-CD2 3.6Å; L47-F59 HydrophobicContact CG-CE2 4.06Å; L47-F59 HydrophobicContact CG-CG 4.25Å; L47-F59 WeakPolarHBondContact O-CD2 3.41Å; L47-F59 PolarHBondContact O-N 2.86Å; L47-P63 HydrophobicContact CD2-CG 4.36Å; L47-L68 HydrophobicContact CD2-CD1 3.65Å; L47-L68 HydrophobicContact CD2-CD2 3.96Å; L47-L68 HydrophobicContact CD2-CG 4.49Å
48	K	90.3	Very high	80.2	Confident	32 Å²	32	80.7 Å²	80.7	14%	0.139	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.6	174.8	-65.3	-164.6	-169.7	-149.9	0	109.5	F38 K39 L46 F50 L55 R57 E58	F38-K48 PolarHBondContact O-NZ 3.11Å; K39-K48 PolarHBondContact O-NZ 3.43Å; L46-K48 VanDerWaalsContact CD2-CE 3.42Å; L46-K48 HydrophobicContact CG-CG 4.36Å; K48-F50 HydrophobicContact CB-CD2 4.31Å; K48-F50 HydrophobicContact CB-CE2 3.45Å; K48-F50 VanDerWaalsContact CB-CE2 3.45Å; K48-F50 HydrophobicContact CB-CZ 3.84Å; K48-F50 HydrophobicContact CD-CZ 4.14Å; K48-L55 HydrophobicContact CB-CD1 3.75Å; K48-L55 HydrophobicContact CD-CD1 3.92Å; K48-L55 HydrophobicContact CD-CD2 4.43Å; K48-L55 HydrophobicContact CG-CD1 4.1Å; K48-R57 CarbonylContact C-O 3.52Å; K48-R57 WeakPolarHBondContact CA-O 3.4Å; K48-E58 HydrophobicContact CD-CG 4.43Å; K48-E58 WeakPolarHBondContact CE-OE2 3.5Å; K48-E58 HydrophobicContact CG-CB 4.34Å; K48-E58 HydrophobicContact CG-CG 4.01Å; K48-E58 IonicContact NZ-OE1 3.92Å; K48-E58 IonicContact NZ-OE2 2.68Å; K48-E58 PolarHBondContact NZ-OE2 2.9Å
49	Y	83.8	Confident	80	Confident	41 Å²	41	76.4 Å²	76.4	16%	0.161	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130	177.4	-178.8	-102.9	0	0	0	110.2	I51 V56 R57 F71 P75	Y49-I51 HydrophobicContact CD1-CG1 4.37Å; Y49-I51 HydrophobicContact CE1-CD1 3.73Å; Y49-I51 HydrophobicContact CE1-CG1 3.48Å; Y49-I51 VanDerWaalsContact CE1-CG1 3.48Å; Y49-V56 HydrophobicContact CD1-CB 3.88Å; Y49-V56 HydrophobicContact CD1-CG1 4.03Å; Y49-V56 HydrophobicContact CE1-CB 4.37Å; Y49-V56 HydrophobicContact CE1-CG1 4.31Å; Y49-V56 PolarHBondContact O-N 3.27Å; Y49-R57 PolarHBondContact N-O 3.44Å; Y49-R57 PolarHBondContact O-N 3.05Å; Y49-F71 AromaticContact CD1-CE1 3.66Å; Y49-F71 HydrophobicContact CD1-CE1 3.66Å; Y49-F71 AromaticContact CD1-CZ 3.51Å; Y49-F71 HydrophobicContact CD1-CZ 3.51Å; Y49-F71 AromaticContact CD2-CE1 3.75Å; Y49-F71 HydrophobicContact CD2-CE1 3.75Å; Y49-F71 HydrophobicContact CD2-CZ 4.45Å; Y49-F71 HydrophobicContact CE1-CE1 4.2Å; Y49-F71 HydrophobicContact CE1-CZ 4.08Å; Y49-F71 HydrophobicContact CE2-CE1 4.27Å; Y49-F71 AromaticContact CG-CE1 3.42Å; Y49-F71 HydrophobicContact CG-CE1 3.42Å; Y49-F71 VanDerWaalsContact CG-CE1 3.42Å; Y49-F71 AromaticContact CG-CZ 3.73Å; Y49-F71 HydrophobicContact CG-CZ 3.73Å; Y49-P75 HydrophobicContact CD1-CB 4.33Å; Y49-P75 HydrophobicContact CE1-CB 3.42Å; Y49-P75 VanDerWaalsContact CE1-CB 3.42Å; Y49-P75 HydrophobicContact CE1-CG 4.26Å; Y49-P75 WeakPolarHBondContact OH-CB 3.49Å; Y49-P75 WeakPolarHBondContact OH-CG 3.47Å
50	F	77.7	Confident	79.3	Confident	72 Å²	72	75.3 Å²	75.3	32%	0.316	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.9	-176.1	-60.7	-97.1	0	0	0	110.3	F38 K48 H54 L55	F38-F50 HydrophobicContact CB-CZ 4.35Å; F38-F50 AromaticContact CD1-CE1 3.52Å; F38-F50 HydrophobicContact CD1-CE1 3.52Å; F38-F50 AromaticContact CD1-CZ 3.62Å; F38-F50 HydrophobicContact CD1-CZ 3.62Å; F38-F50 HydrophobicContact CE1-CD1 4.45Å; F38-F50 AromaticContact CE1-CE1 3.81Å; F38-F50 HydrophobicContact CE1-CE1 3.81Å; F38-F50 HydrophobicContact CE1-CZ 4.15Å; F38-F50 HydrophobicContact CG-CE1 4.43Å; F38-F50 HydrophobicContact CG-CZ 4.1Å; K48-F50 HydrophobicContact CB-CD2 4.31Å; K48-F50 HydrophobicContact CB-CE2 3.45Å; K48-F50 VanDerWaalsContact CB-CE2 3.45Å; K48-F50 HydrophobicContact CB-CZ 3.84Å; K48-F50 HydrophobicContact CD-CZ 4.14Å; F50-H54 CarbonylContact C-O 3.53Å; F50-H54 WeakPolarHBondContact CA-O 3.32Å; F50-L55 HydrophobicContact CD1-CB 4.04Å; F50-L55 HydrophobicContact CD1-CD1 4.28Å; F50-L55 HydrophobicContact CE1-CB 3.8Å; F50-L55 HydrophobicContact CE1-CD1 3.84Å; F50-L55 HydrophobicContact CE1-CG 4.41Å; F50-L55 HydrophobicContact CE2-CD1 4.34Å; F50-L55 HydrophobicContact CZ-CD1 3.88Å
51	I	70.4	Confident	78.9	Confident	39 Å²	39	82 Å²	82	20%	0.2	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.4	166.1	-64.1	-176.3	0	0	0	107.3	Y49 G53 H54 V56 P75 F76	Y49-I51 HydrophobicContact CD1-CG1 4.37Å; Y49-I51 HydrophobicContact CE1-CD1 3.73Å; Y49-I51 HydrophobicContact CE1-CG1 3.48Å; Y49-I51 VanDerWaalsContact CE1-CG1 3.48Å; I51-G53 PolarHBondContact O-N 3.14Å; I51-G53 VanDerWaalsContact O-N 3.08Å; I51-H54 PolarHBondContact N-O 3.33Å; I51-H54 PolarHBondContact O-N 2.92Å; I51-V56 HydrophobicContact CB-CG2 3.77Å; I51-V56 HydrophobicContact CD1-CG2 4.07Å; I51-V56 HydrophobicContact CG1-CG2 3.77Å; I51-P75 HydrophobicContact CD1-CG 4.47Å; I51-F76 HydrophobicContact CD1-CE1 3.43Å; I51-F76 VanDerWaalsContact CD1-CE1 3.43Å; I51-F76 HydrophobicContact CD1-CE2 4.13Å; I51-F76 HydrophobicContact CD1-CZ 3.15Å
52	R	66.6	Low	78.5	Confident	139 Å²	139	81.9 Å²	81.9	53%	0.525	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	35.9	176.5	-63.8	168.4	165.6	-173.8	-15.9	113.5	H54 E254	R52-H54 VanDerWaalsContact C-N 3.31Å; R52-H54 PolarHBondContact O-N 3.38Å; R52-E254 WeakPolarHBondContact CD-OE1 3.3Å; R52-E254 IonicContact CZ-OE1 3.84Å; R52-E254 IonicContact CZ-OE2 3.31Å; R52-E254 VanDerWaalsContact CZ-OE2 3.24Å; R52-E254 IonicContact NE-OE1 3.71Å; R52-E254 PolarHBondContact NE-OE1 3.09Å; R52-E254 IonicContact NE-OE2 2.95Å; R52-E254 PolarHBondContact NE-OE2 3.04Å; R52-E254 IonicContact NH1-OE1 3.35Å; R52-E254 PolarHBondContact NH1-OE1 3.45Å; R52-E254 VanDerWaalsContact NH1-OE1 3.07Å; R52-E254 VanDerWaalsContact NH2-CD 3.29Å; R52-E254 IonicContact NH2-OE1 2.73Å; R52-E254 PolarHBondContact NH2-OE1 2.93Å; R52-E254 IonicContact NH2-OE2 2.75Å; R52-E254 PolarHBondContact NH2-OE2 3.46Å
53	G	70.8	Confident	78.2	Confident	61 Å²	61	80.4 Å²	80.4	63%	0.629	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-11.1	-179.8	0	0	0	0	0	115.3	I51	I51-G53 PolarHBondContact O-N 3.14Å; I51-G53 VanDerWaalsContact O-N 3.08Å
54	H	69.8	Low	78.3	Confident	123 Å²	123	75.9 Å²	75.9	57%	0.569	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	133.6	175.9	-62.3	-76.4	0	0	0	110.9	F50 I51 R52 V56	F50-H54 CarbonylContact C-O 3.53Å; F50-H54 WeakPolarHBondContact CA-O 3.32Å; I51-H54 PolarHBondContact N-O 3.33Å; I51-H54 PolarHBondContact O-N 2.92Å; R52-H54 VanDerWaalsContact C-N 3.31Å; R52-H54 PolarHBondContact O-N 3.38Å; H54-V56 PolarHBondContact O-N 3.04Å
55	L	75.9	Confident	78.2	Confident	84 Å²	84	73.3 Å²	73.3	44%	0.44	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	116.9	173.4	178.7	63.8	0	0	0	108.8	K48 F50	K48-L55 HydrophobicContact CB-CD1 3.75Å; K48-L55 HydrophobicContact CD-CD1 3.92Å; K48-L55 HydrophobicContact CD-CD2 4.43Å; K48-L55 HydrophobicContact CG-CD1 4.1Å; F50-L55 HydrophobicContact CD1-CB 4.04Å; F50-L55 HydrophobicContact CD1-CD1 4.28Å; F50-L55 HydrophobicContact CE1-CB 3.8Å; F50-L55 HydrophobicContact CE1-CD1 3.84Å; F50-L55 HydrophobicContact CE1-CG 4.41Å; F50-L55 HydrophobicContact CE2-CD1 4.34Å; F50-L55 HydrophobicContact CZ-CD1 3.88Å
56	V	65.1	Low	77.8	Confident	62 Å²	62	74.8 Å²	74.8	38%	0.376	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-39.2	-179.3	170.8	0	0	0	0	111.1	Y49 I51 H54	Y49-V56 HydrophobicContact CD1-CB 3.88Å; Y49-V56 HydrophobicContact CD1-CG1 4.03Å; Y49-V56 HydrophobicContact CE1-CB 4.37Å; Y49-V56 HydrophobicContact CE1-CG1 4.31Å; Y49-V56 PolarHBondContact O-N 3.27Å; I51-V56 HydrophobicContact CB-CG2 3.77Å; I51-V56 HydrophobicContact CD1-CG2 4.07Å; I51-V56 HydrophobicContact CG1-CG2 3.77Å; H54-V56 PolarHBondContact O-N 3.04Å
57	R	74	Confident	77.2	Confident	79 Å²	79	75.5 Å²	75.5	30%	0.298	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	140	178.6	-169.7	169.7	179.4	174.9	-5.3	111.3	K48 Y49 F59 F71	K48-R57 CarbonylContact C-O 3.52Å; K48-R57 WeakPolarHBondContact CA-O 3.4Å; Y49-R57 PolarHBondContact N-O 3.44Å; Y49-R57 PolarHBondContact O-N 3.05Å; R57-F59 HydrophobicContact CB-CE2 4.41Å; R57-F59 HydrophobicContact CG-CD2 4.42Å; R57-F59 HydrophobicContact CG-CE2 4.14Å; R57-F59 HydrophobicContact CG-CZ 4.27Å; R57-F71 HydrophobicContact CB-CE2 4.34Å; R57-F71 HydrophobicContact CB-CZ 3.87Å; R57-F71 VanDerWaalsContact CD-CE2 3.45Å; R57-F71 HydrophobicContact CG-CZ 4.39Å
58	E	82.7	Confident	76.7	Confident	71 Å²	71	74.1 Å²	74.1	33%	0.332	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.6	169.8	-179.4	164.2	155.3	0	0	107.8	L46 K48	L46-E58 HydrophobicContact CD1-CG 3.91Å; K48-E58 HydrophobicContact CD-CG 4.43Å; K48-E58 WeakPolarHBondContact CE-OE2 3.5Å; K48-E58 HydrophobicContact CG-CB 4.34Å; K48-E58 HydrophobicContact CG-CG 4.01Å; K48-E58 IonicContact NZ-OE1 3.92Å; K48-E58 IonicContact NZ-OE2 2.68Å; K48-E58 PolarHBondContact NZ-OE2 2.9Å
59	F	82.5	Confident	76.1	Confident	11 Å²	11	74.6 Å²	74.6	5%	0.048	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.6	-178.8	-64.7	-98.9	0	0	0	108.6	L46 L47 R57 E61 P63 L68 F71	L46-F59 WeakPolarHBondContact CD1-O 3.36Å; L47-F59 HydrophobicContact CB-CB 4.06Å; L47-F59 HydrophobicContact CB-CD2 3.99Å; L47-F59 HydrophobicContact CB-CG 4.3Å; L47-F59 HydrophobicContact CD2-CB 4.45Å; L47-F59 HydrophobicContact CD2-CD1 4.46Å; L47-F59 HydrophobicContact CD2-CD2 3.56Å; L47-F59 HydrophobicContact CD2-CE2 3.81Å; L47-F59 HydrophobicContact CD2-CG 3.92Å; L47-F59 HydrophobicContact CD2-CZ 4.36Å; L47-F59 HydrophobicContact CG-CD2 3.6Å; L47-F59 HydrophobicContact CG-CE2 4.06Å; L47-F59 HydrophobicContact CG-CG 4.25Å; L47-F59 WeakPolarHBondContact O-CD2 3.41Å; L47-F59 PolarHBondContact O-N 2.86Å; R57-F59 HydrophobicContact CB-CE2 4.41Å; R57-F59 HydrophobicContact CG-CD2 4.42Å; R57-F59 HydrophobicContact CG-CE2 4.14Å; R57-F59 HydrophobicContact CG-CZ 4.27Å; F59-E61 VanDerWaalsContact C-N 3.3Å; F59-P63 HydrophobicContact CD1-CB 4.31Å; F59-P63 HydrophobicContact CD1-CG 3.69Å; F59-P63 HydrophobicContact CE1-CB 4.44Å; F59-P63 HydrophobicContact CE1-CG 3.82Å; F59-P63 HydrophobicContact CG-CG 4.48Å; F59-L68 HydrophobicContact CZ-CD1 4.25Å; F59-F71 HydrophobicContact CE2-CD1 4.28Å; F59-F71 AromaticContact CE2-CE1 3.93Å; F59-F71 HydrophobicContact CE2-CE1 3.93Å; F59-F71 HydrophobicContact CE2-CZ 4.41Å; F59-F71 AromaticContact CZ-CD1 3.57Å; F59-F71 HydrophobicContact CZ-CD1 3.57Å; F59-F71 HydrophobicContact CZ-CD2 4.43Å; F59-F71 AromaticContact CZ-CE1 3.6Å; F59-F71 HydrophobicContact CZ-CE1 3.6Å; F59-F71 HydrophobicContact CZ-CE2 4.47Å; F59-F71 AromaticContact CZ-CG 3.99Å; F59-F71 HydrophobicContact CZ-CG 3.99Å; F59-F71 HydrophobicContact CZ-CZ 4.07Å
60	Q	76.9	Confident	75.4	Confident	163 Å²	163	76.8 Å²	76.8	76%	0.762	39%	0.392	S	S	*	.	S	Bend	trans	-69.1	-32.2	178.6	-60.8	-60.9	-32.5	0	0	111.8
61	E	78.7	Confident	75.2	Confident	167 Å²	167	73.8 Å²	73.8	78%	0.78	38%	0.379	S	S	*	.	S	Bend	trans	-133.4	157.8	175.9	-63.1	-175.5	172.4	0	0	109.6	F59 P63	F59-E61 VanDerWaalsContact C-N 3.3Å; E61-P63 WeakPolarHBondContact O-CD 3.45Å
62	E	79.2	Confident	75.3	Confident	92 Å²	92	72.9 Å²	72.9	43%	0.43	37%	0.374	S	S	.	.			trans	-68.4	113	176.9	-175.2	169.5	-158.1	0	0	110.1	Y8	Y8-E62 WeakPolarHBondContact CE2-OE1 3.35Å; Y8-E62 PolarHBondContact OH-OE1 3.3Å
63	P	78.8	Confident	75.4	Confident	15 Å²	15	70 Å²	70	10%	0.097	37%	0.367	C	S	.	.			trans	-70.9	156.5	-178.5	30.5	-36.4	0	0	0	111.5	L47 F59 E61 E67 L68	L47-P63 HydrophobicContact CD2-CG 4.36Å; F59-P63 HydrophobicContact CD1-CB 4.31Å; F59-P63 HydrophobicContact CD1-CG 3.69Å; F59-P63 HydrophobicContact CE1-CB 4.44Å; F59-P63 HydrophobicContact CE1-CG 3.82Å; F59-P63 HydrophobicContact CG-CG 4.48Å; E61-P63 WeakPolarHBondContact O-CD 3.45Å; P63-E67 HydrophobicContact CB-CB 4.44Å; P63-E67 HydrophobicContact CB-CG 4.44Å; P63-L68 HydrophobicContact CG-CB 4.04Å; P63-L68 HydrophobicContact CG-CD1 4.26Å
64	P	80.3	Confident	74.9	Confident	79 Å²	79	70.4 Å²	70.4	51%	0.513	35%	0.354	S	S	.	.			trans	-53.7	146.9	169.8	-21.5	31.2	0	0	0	112	S66 E67 L68	P64-S66 VanDerWaalsContact C-N 3.28Å; P64-S66 PolarHBondContact O-N 3.03Å; P64-E67 HydrophobicContact CB-CB 4.46Å; P64-E67 WeakPolarHBondContact CD-OE2 3.28Å; P64-E67 WeakPolarHBondContact O-CA 3.37Å; P64-E67 WeakPolarHBondContact O-CB 3.39Å; P64-E67 PolarHBondContact O-N 2.93Å; P64-L68 PolarHBondContact O-N 2.92Å
65	M	77	Confident	74.3	Confident	70 Å²	70	65.5 Å²	65.5	35%	0.345	33%	0.333	S	S	.	.	H	α-helix	trans	-54.9	-40.1	-176.1	-71	-65.5	-72.7	0	0	114.3	T7 I11 L68 L69	T7-M65 HydrophobicContact CG2-CE 3.53Å; T7-M65 HydrophobicContact CG2-CG 4.2Å; T7-M65 HydrophobicContact CG2-SD 3.11Å; T7-M65 WeakPolarHBondContact CG2-SD 3.5Å; I11-M65 HydrophobicContact CD1-CE 3.6Å; I11-M65 HydrophobicContact CD1-SD 3.71Å; I11-M65 HydrophobicContact CG1-CE 3.37Å; I11-M65 HydrophobicContact CG1-SD 4.2Å; M65-L68 PolarHBondContact O-N 2.83Å; M65-L69 WeakPolarHBondContact O-CB 3.39Å; M65-L69 WeakPolarHBondContact O-CG 3.5Å; M65-L69 PolarHBondContact O-N 3.32Å
66	S	75.4	Confident	73.4	Confident	92 Å²	92	62.9 Å²	62.9	64%	0.643	32%	0.318	S	S	*	.	H	α-helix	trans	-65.6	-40.5	177	50.7	0	0	0	0	111.7	P64 H70	P64-S66 VanDerWaalsContact C-N 3.28Å; P64-S66 PolarHBondContact O-N 3.03Å; S66-H70 WeakPolarHBondContact O-CB 3.48Å; S66-H70 PolarHBondContact O-N 3.21Å
67	E	75.5	Confident	72.5	Confident	60 Å²	60	63 Å²	63	28%	0.28	31%	0.314	S	S	.	.	H	α-helix	trans	-68.5	-40	177.2	-175	-179.6	172.7	0	0	110.9	P63 P64 H70 F71	P63-E67 HydrophobicContact CB-CB 4.44Å; P63-E67 HydrophobicContact CB-CG 4.44Å; P64-E67 HydrophobicContact CB-CB 4.46Å; P64-E67 WeakPolarHBondContact CD-OE2 3.28Å; P64-E67 WeakPolarHBondContact O-CA 3.37Å; P64-E67 WeakPolarHBondContact O-CB 3.39Å; P64-E67 PolarHBondContact O-N 2.93Å; E67-H70 PolarHBondContact O-N 3.26Å; E67-F71 VanDerWaalsContact O-CB 3.27Å; E67-F71 WeakPolarHBondContact O-CB 3.36Å; E67-F71 PolarHBondContact O-N 2.8Å
68	L	80	Confident	71.1	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-66.7	-46	178.2	-175.6	52.2	0	0	0	112.3	Y8 I11 L47 F59 P63 P64 M65 H70 F71 I72	Y8-L68 HydrophobicContact CD1-CD2 4.43Å; Y8-L68 HydrophobicContact CE1-CD2 3.58Å; I11-L68 HydrophobicContact CD1-CD2 3.39Å; I11-L68 HydrophobicContact CD1-CG 4.01Å; L47-L68 HydrophobicContact CD2-CD1 3.65Å; L47-L68 HydrophobicContact CD2-CD2 3.96Å; L47-L68 HydrophobicContact CD2-CG 4.49Å; F59-L68 HydrophobicContact CZ-CD1 4.25Å; P63-L68 HydrophobicContact CG-CB 4.04Å; P63-L68 HydrophobicContact CG-CD1 4.26Å; P64-L68 PolarHBondContact O-N 2.92Å; M65-L68 PolarHBondContact O-N 2.83Å; L68-H70 VanDerWaalsContact C-N 3.34Å; L68-F71 HydrophobicContact CD1-CD1 4.44Å; L68-F71 PolarHBondContact O-N 2.81Å; L68-I72 HydrophobicContact CD1-CD1 3.97Å; L68-I72 HydrophobicContact CD1-CG1 4.21Å; L68-I72 HydrophobicContact CG-CD1 3.91Å; L68-I72 WeakPolarHBondContact O-CD1 3.35Å; L68-I72 VanDerWaalsContact O-CG1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.23Å; L68-I72 PolarHBondContact O-N 2.8Å
69	L	77.2	Confident	68.9	Low	42 Å²	42	62.7 Å²	62.7	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-45.5	175.2	-78.7	169.7	0	0	0	110.8	I11 I15 M65 F71 I72 H73	I11-L69 HydrophobicContact CG1-CD2 4.39Å; I11-L69 HydrophobicContact CG2-CD2 4.04Å; I15-L69 HydrophobicContact CG2-CD2 3.83Å; M65-L69 WeakPolarHBondContact O-CB 3.39Å; M65-L69 WeakPolarHBondContact O-CG 3.5Å; M65-L69 PolarHBondContact O-N 3.32Å; L69-F71 VanDerWaalsContact C-N 3.34Å; L69-F71 PolarHBondContact O-N 2.88Å; L69-I72 PolarHBondContact O-N 2.99Å; L69-I72 VanDerWaalsContact O-N 3.13Å; L69-H73 PolarHBondContact O-CD2 3.26Å; L69-H73 PolarHBondContact O-N 3.22Å
70	H	69.1	Low	66.7	Low	86 Å²	86	68.5 Å²	68.5	40%	0.398	36%	0.357	S	S	.	.	H	α-helix	trans	-57.4	-47.3	175.8	-175	-99.6	0	0	0	111.8	S66 E67 L68 I72 H73 N74 E77	S66-H70 WeakPolarHBondContact O-CB 3.48Å; S66-H70 PolarHBondContact O-N 3.21Å; E67-H70 PolarHBondContact O-N 3.26Å; L68-H70 VanDerWaalsContact C-N 3.34Å; H70-I72 PolarHBondContact O-N 2.84Å; H70-H73 PolarHBondContact O-N 3.27Å; H70-N74 PolarHBondContact NE2-ND2 3Å; H70-N74 WeakPolarHBondContact O-CA 3.35Å; H70-N74 WeakPolarHBondContact O-CB 3.38Å; H70-N74 PolarHBondContact O-N 2.89Å; H70-E77 IonicContact CE1-OE1 2.9Å; H70-E77 PolarHBondContact CE1-OE1 3.14Å; H70-E77 IonicContact CE1-OE2 3.07Å; H70-E77 PolarHBondContact CE1-OE2 3Å; H70-E77 IonicContact ND1-OE2 2.7Å; H70-E77 IonicContact NE2-OE2 2.84Å; H70-E77 PolarHBondContact NE2-OE2 3.44Å
71	F	72.7	Confident	65	Low	10 Å²	10	65.5 Å²	65.5	4%	0.044	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-38.9	174.4	170.6	-94.7	0	0	0	112.4	Y49 R57 F59 E67 L68 L69 H73 N74 P75	Y49-F71 AromaticContact CD1-CE1 3.66Å; Y49-F71 HydrophobicContact CD1-CE1 3.66Å; Y49-F71 AromaticContact CD1-CZ 3.51Å; Y49-F71 HydrophobicContact CD1-CZ 3.51Å; Y49-F71 AromaticContact CD2-CE1 3.75Å; Y49-F71 HydrophobicContact CD2-CE1 3.75Å; Y49-F71 HydrophobicContact CD2-CZ 4.45Å; Y49-F71 HydrophobicContact CE1-CE1 4.2Å; Y49-F71 HydrophobicContact CE1-CZ 4.08Å; Y49-F71 HydrophobicContact CE2-CE1 4.27Å; Y49-F71 AromaticContact CG-CE1 3.42Å; Y49-F71 HydrophobicContact CG-CE1 3.42Å; Y49-F71 VanDerWaalsContact CG-CE1 3.42Å; Y49-F71 AromaticContact CG-CZ 3.73Å; Y49-F71 HydrophobicContact CG-CZ 3.73Å; R57-F71 HydrophobicContact CB-CE2 4.34Å; R57-F71 HydrophobicContact CB-CZ 3.87Å; R57-F71 VanDerWaalsContact CD-CE2 3.45Å; R57-F71 HydrophobicContact CG-CZ 4.39Å; F59-F71 HydrophobicContact CE2-CD1 4.28Å; F59-F71 AromaticContact CE2-CE1 3.93Å; F59-F71 HydrophobicContact CE2-CE1 3.93Å; F59-F71 HydrophobicContact CE2-CZ 4.41Å; F59-F71 AromaticContact CZ-CD1 3.57Å; F59-F71 HydrophobicContact CZ-CD1 3.57Å; F59-F71 HydrophobicContact CZ-CD2 4.43Å; F59-F71 AromaticContact CZ-CE1 3.6Å; F59-F71 HydrophobicContact CZ-CE1 3.6Å; F59-F71 HydrophobicContact CZ-CE2 4.47Å; F59-F71 AromaticContact CZ-CG 3.99Å; F59-F71 HydrophobicContact CZ-CG 3.99Å; F59-F71 HydrophobicContact CZ-CZ 4.07Å; E67-F71 VanDerWaalsContact O-CB 3.27Å; E67-F71 WeakPolarHBondContact O-CB 3.36Å; E67-F71 PolarHBondContact O-N 2.8Å; L68-F71 HydrophobicContact CD1-CD1 4.44Å; L68-F71 PolarHBondContact O-N 2.81Å; L69-F71 VanDerWaalsContact C-N 3.34Å; L69-F71 PolarHBondContact O-N 2.88Å; F71-H73 VanDerWaalsContact C-N 3.34Å; F71-H73 PolarHBondContact O-N 2.83Å; F71-N74 CarbonylContact O-C 3.58Å; F71-N74 PolarHBondContact O-N 2.8Å; F71-P75 HydrophobicContact CE1-CB 4.49Å; F71-P75 HydrophobicContact CE2-CB 4.23Å; F71-P75 VanDerWaalsContact CE2-O 3.25Å; F71-P75 WeakPolarHBondContact CE2-O 3Å; F71-P75 HydrophobicContact CZ-CB 4.13Å; F71-P75 WeakPolarHBondContact O-CA 3.33Å; F71-P75 WeakPolarHBondContact O-CB 3.22Å; F71-P75 WeakPolarHBondContact O-CD 3.29Å
72	I	73.4	Confident	62.9	Low	19 Å²	19	65.8 Å²	65.8	10%	0.097	34%	0.34	C	S	.	.	H	α-helix	trans	-67.7	-38.6	179.5	-68.8	161.9	0	0	0	111.3	I11 I15 A19 L68 L69 H70	I11-I72 HydrophobicContact CG2-CD1 3.66Å; I15-I72 HydrophobicContact CB-CG2 4.02Å; I15-I72 HydrophobicContact CD1-CD1 4.08Å; I15-I72 HydrophobicContact CD1-CG2 3.92Å; I15-I72 HydrophobicContact CG2-CB 4.3Å; I15-I72 HydrophobicContact CG2-CD1 4.36Å; I15-I72 HydrophobicContact CG2-CG2 3.67Å; A19-I72 HydrophobicContact CB-CG2 3.9Å; L68-I72 HydrophobicContact CD1-CD1 3.97Å; L68-I72 HydrophobicContact CD1-CG1 4.21Å; L68-I72 HydrophobicContact CG-CD1 3.91Å; L68-I72 WeakPolarHBondContact O-CD1 3.35Å; L68-I72 VanDerWaalsContact O-CG1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.23Å; L68-I72 PolarHBondContact O-N 2.8Å; L69-I72 PolarHBondContact O-N 2.99Å; L69-I72 VanDerWaalsContact O-N 3.13Å; H70-I72 PolarHBondContact O-N 2.84Å
73	H	68.4	Low	60.8	Low	80 Å²	80	65.5 Å²	65.5	37%	0.37	34%	0.341	S	S	.	.	H	α-helix	trans	-69.6	-35.1	173.1	-65.6	-54.8	0	0	0	111.7	E18 L69 H70 F71	E18-H73 IonicContact OE1-CE1 3.72Å; E18-H73 IonicContact OE1-ND1 3.44Å; E18-H73 IonicContact OE2-CE1 3.41Å; E18-H73 PolarHBondContact OE2-CE1 2.79Å; E18-H73 IonicContact OE2-CG 3.03Å; E18-H73 IonicContact OE2-ND1 2.84Å; E18-H73 PolarHBondContact OE2-ND1 2.03Å; L69-H73 PolarHBondContact O-CD2 3.26Å; L69-H73 PolarHBondContact O-N 3.22Å; H70-H73 PolarHBondContact O-N 3.27Å; F71-H73 VanDerWaalsContact C-N 3.34Å; F71-H73 PolarHBondContact O-N 2.83Å
74	N	59.6	Low	58.9	Low	69 Å²	69	71.3 Å²	71.3	37%	0.369	38%	0.379	S	S	.	.	S	Bend	trans	-127.4	65.3	-176.7	-55.3	-47.2	0	0	0	111.9	H70 F71 F76 E77	H70-N74 PolarHBondContact NE2-ND2 3Å; H70-N74 WeakPolarHBondContact O-CA 3.35Å; H70-N74 WeakPolarHBondContact O-CB 3.38Å; H70-N74 PolarHBondContact O-N 2.89Å; F71-N74 CarbonylContact O-C 3.58Å; F71-N74 PolarHBondContact O-N 2.8Å; N74-F76 PolarHBondContact O-N 2.8Å; N74-E77 HydrophobicContact CB-CB 4Å; N74-E77 WeakPolarHBondContact CB-OE2 3.38Å; N74-E77 PolarHBondContact ND2-OE2 3.24Å; N74-E77 WeakPolarHBondContact O-CB 3.04Å; N74-E77 PolarHBondContact O-N 2.95Å; N74-E77 VanDerWaalsContact O-N 3.08Å
75	P	58.1	Low	56.7	Low	19 Å²	19	71.9 Å²	71.9	12%	0.123	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-8.2	-169.5	25.5	-34.2	0	0	0	114.3	Y49 I51 F71	Y49-P75 HydrophobicContact CD1-CB 4.33Å; Y49-P75 HydrophobicContact CE1-CB 3.42Å; Y49-P75 VanDerWaalsContact CE1-CB 3.42Å; Y49-P75 HydrophobicContact CE1-CG 4.26Å; Y49-P75 WeakPolarHBondContact OH-CB 3.49Å; Y49-P75 WeakPolarHBondContact OH-CG 3.47Å; I51-P75 HydrophobicContact CD1-CG 4.47Å; F71-P75 HydrophobicContact CE1-CB 4.49Å; F71-P75 HydrophobicContact CE2-CB 4.23Å; F71-P75 VanDerWaalsContact CE2-O 3.25Å; F71-P75 WeakPolarHBondContact CE2-O 3Å; F71-P75 HydrophobicContact CZ-CB 4.13Å; F71-P75 WeakPolarHBondContact O-CA 3.33Å; F71-P75 WeakPolarHBondContact O-CB 3.22Å; F71-P75 WeakPolarHBondContact O-CD 3.29Å
76	F	56.5	Low	54.8	Low	30 Å²	30	71.1 Å²	71.1	13%	0.132	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	1.7	-178.5	-49.7	-65.2	0	0	0	112.7	I51 N74 S78 I91 T98 Y101	I51-F76 HydrophobicContact CD1-CE1 3.43Å; I51-F76 VanDerWaalsContact CD1-CE1 3.43Å; I51-F76 HydrophobicContact CD1-CE2 4.13Å; I51-F76 HydrophobicContact CD1-CZ 3.15Å; N74-F76 PolarHBondContact O-N 2.8Å; F76-S78 PolarHBondContact O-N 3.49Å; F76-I91 HydrophobicContact CB-CG2 3.87Å; F76-I91 WeakPolarHBondContact O-CG2 3.48Å; F76-T98 HydrophobicContact CB-CG2 4.06Å; F76-T98 HydrophobicContact CD1-CG2 3.23Å; F76-T98 HydrophobicContact CD2-CG2 4.3Å; F76-T98 HydrophobicContact CE1-CG2 3.56Å; F76-T98 HydrophobicContact CG-CG2 3.6Å; F76-T98 HydrophobicContact CZ-CG2 4.19Å; F76-Y101 HydrophobicContact CD2-CD1 4.26Å; F76-Y101 HydrophobicContact CD2-CE1 4.48Å; F76-Y101 AromaticContact CE2-CD1 3.38Å; F76-Y101 HydrophobicContact CE2-CD1 3.38Å; F76-Y101 AromaticContact CE2-CE1 3.63Å; F76-Y101 HydrophobicContact CE2-CE1 3.63Å; F76-Y101 HydrophobicContact CE2-CG 4.23Å; F76-Y101 AromaticContact CZ-CD1 3.99Å; F76-Y101 HydrophobicContact CZ-CD1 3.99Å; F76-Y101 HydrophobicContact CZ-CE1 4.46Å; F76-Y101 HydrophobicContact CZ-CG 4.42Å
77	E	47.4	Very low	53.5	Low	63 Å²	63	69.1 Å²	69.1	29%	0.294	38%	0.384	S	S	.	.			trans	-76.8	107.5	172.5	-160.7	174.6	164.3	0	0	108.7	H70 N74 N79	H70-E77 IonicContact CE1-OE1 2.9Å; H70-E77 PolarHBondContact CE1-OE1 3.14Å; H70-E77 IonicContact CE1-OE2 3.07Å; H70-E77 PolarHBondContact CE1-OE2 3Å; H70-E77 IonicContact ND1-OE2 2.7Å; H70-E77 IonicContact NE2-OE2 2.84Å; H70-E77 PolarHBondContact NE2-OE2 3.44Å; N74-E77 HydrophobicContact CB-CB 4Å; N74-E77 WeakPolarHBondContact CB-OE2 3.38Å; N74-E77 PolarHBondContact ND2-OE2 3.24Å; N74-E77 WeakPolarHBondContact O-CB 3.04Å; N74-E77 PolarHBondContact O-N 2.95Å; N74-E77 VanDerWaalsContact O-N 3.08Å; E77-N79 PolarHBondContact O-N 2.91Å
78	S	43.9	Very low	52.5	Low	48 Å²	48	69.3 Å²	69.3	34%	0.336	40%	0.403	S	S	.	.			trans	-79.6	112.2	176.3	69.3	0	0	0	0	109.7	F76 N80 Y92	F76-S78 PolarHBondContact O-N 3.49Å; S78-N80 PolarHBondContact O-N 3.14Å; S78-Y92 WeakPolarHBondContact OG-CB 3.44Å
79	N	37.2	Very low	52.1	Low	96 Å²	96	71.8 Å²	71.8	51%	0.513	42%	0.416	S	S	.	.	S	Bend	trans	-61.9	129.6	153.3	-82.6	-18.6	0	0	0	107.8	E77	E77-N79 PolarHBondContact O-N 2.91Å
80	N	36	Very low	52.5	Low	134 Å²	134	70.9 Å²	70.9	72%	0.717	41%	0.412	S	S	*	.			trans	92.5	67.6	171.5	-47.1	-29.8	0	0	0	117	S78	S78-N80 PolarHBondContact O-N 3.14Å
81	W	40.6	Very low	53.1	Low	99 Å²	99	69 Å²	69	38%	0.375	41%	0.405	S	S	.	.				-95.2	104.3	126.8	-166.1	-6.4	0	0	0	106.4	D83 K126	W81-D83 PolarHBondContact O-N 3.16Å; W81-D83 VanDerWaalsContact O-N 3.12Å; W81-K126 HydrophobicContact CH2-CB 3.2Å; W81-K126 HydrophobicContact CH2-CD 3.89Å; W81-K126 VanDerWaalsContact CH2-CE 3.44Å; W81-K126 HydrophobicContact CH2-CG 3.32Å; W81-K126 HydrophobicContact CZ2-CB 3.42Å; W81-K126 VanDerWaalsContact CZ2-CB 3.42Å; W81-K126 HydrophobicContact CZ2-CD 3.69Å; W81-K126 HydrophobicContact CZ2-CG 3.64Å; W81-K126 HydrophobicContact CZ3-CB 4.4Å; W81-K126 HydrophobicContact CZ3-CG 4.2Å
82	Q	34.9	Very low	53.4	Low	173 Å²	173	70.2 Å²	70.2	81%	0.808	41%	0.409	S	S	*	.			trans	-76.5	89.5	175.3	-73.6	-178.7	-6.9	0	0	108.5
83	D	35	Very low	53.6	Low	87 Å²	87	69.3 Å²	69.3	47%	0.465	40%	0.404	S	S	.	.			trans	-125.7	123.8	151.2	-143.3	-22.9	0	0	0	107.3	W81 A85	W81-D83 PolarHBondContact O-N 3.16Å; W81-D83 VanDerWaalsContact O-N 3.12Å; D83-A85 PolarHBondContact O-N 3.4Å
84	P	38	Very low	53.9	Low	137 Å²	137	72.8 Å²	72.8	89%	0.89	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-4.4	-170.9	-16.6	30	0	0	0	114.1
85	A	35.8	Very low	54.5	Low	91 Å²	91	71 Å²	71	75%	0.752	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	44.3	-175.3	0	0	0	0	0	113.2	D83	D83-A85 PolarHBondContact O-N 3.4Å
86	G	36	Very low	55.3	Low	53 Å²	53	70.9 Å²	70.9	55%	0.546	41%	0.407	S	S	.	.			trans	96.9	165.9	153	0	0	0	0	0	118.2
87	T	47.9	Very low	55.9	Low	50 Å²	50	73.9 Å²	73.9	31%	0.307	42%	0.423	S	S	.	.			trans	105.8	72.5	158.2	77.5	0	0	0	0	117.5	N89 G130 A134	T87-N89 PolarHBondContact O-N 3.33Å; T87-G130 WeakPolarHBondContact CB-O 3.27Å; T87-G130 VanDerWaalsContact CG2-C 3.42Å; T87-G130 VanDerWaalsContact CG2-O 3.26Å; T87-G130 WeakPolarHBondContact CG2-O 3.5Å; T87-G130 VanDerWaalsContact OG1-CA 3.28Å; T87-G130 WeakPolarHBondContact OG1-CA 3.22Å; T87-A134 HydrophobicContact CG2-CB 3.78Å
88	G	54.5	Low	56.9	Low	65 Å²	65	71.7 Å²	71.7	67%	0.67	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	23	166.7	0	0	0	0	0	115.9
89	N	72.6	Confident	58.6	Low	56 Å²	56	69.7 Å²	69.7	30%	0.299	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	8.6	-175.9	-72	-17.2	0	0	0	114	T87 A133 A134 N137	T87-N89 PolarHBondContact O-N 3.33Å; N89-A133 HydrophobicContact CB-CB 3.99Å; N89-A133 WeakPolarHBondContact CB-O 3.22Å; N89-A133 PolarHBondContact ND2-O 2.96Å; N89-A134 VanDerWaalsContact ND2-CA 3.3Å; N89-A134 WeakPolarHBondContact ND2-CA 3.29Å; N89-N137 HydrophobicContact CB-CB 4.26Å; N89-N137 VanDerWaalsContact ND2-CB 3.34Å; N89-N137 WeakPolarHBondContact ND2-CB 3.39Å; N89-N137 PolarHBondContact ND2-ND2 3.39Å; N89-N137 PolarHBondContact OD1-ND2 3.06Å
90	V	84.3	Confident	60.4	Low	24 Å²	24	67.8 Å²	67.8	15%	0.145	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.6	176.4	-178.8	0	0	0	0	109.8	F129 A133 F142	V90-F129 HydrophobicContact CG1-CD1 4.21Å; V90-F129 HydrophobicContact CG1-CE1 3.82Å; V90-F129 HydrophobicContact CG2-CD1 4.01Å; V90-F129 HydrophobicContact CG2-CE1 4.12Å; V90-A133 HydrophobicContact CG2-CB 3.47Å; V90-A133 VanDerWaalsContact CG2-CB 3.47Å; V90-F142 WeakPolarHBondContact CA-O 3.12Å; V90-F142 HydrophobicContact CG2-CB 4.12Å
91	I	82.7	Confident	62	Low	47 Å²	47	66 Å²	66	24%	0.241	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.3	177	-53.9	175.7	0	0	0	108.8	F76 I93 I102 V141 F142 V143 G144	F76-I91 HydrophobicContact CB-CG2 3.87Å; F76-I91 WeakPolarHBondContact O-CG2 3.48Å; I91-I93 HydrophobicContact CG2-CG2 4.5Å; I91-I102 HydrophobicContact CB-CD1 4.47Å; I91-I102 HydrophobicContact CG2-CD1 3.69Å; I91-V141 HydrophobicContact CD1-CG1 3.67Å; I91-F142 PolarHBondContact N-O 3.24Å; I91-V143 HydrophobicContact CB-CG2 4.35Å; I91-V143 CarbonylContact O-C 3.16Å; I91-V143 WeakPolarHBondContact O-CA 3.08Å; I91-V143 WeakPolarHBondContact O-CG1 3.43Å; I91-G144 PolarHBondContact O-N 2.87Å
92	Y	79.6	Confident	63.7	Low	34 Å²	34	61.8 Å²	61.8	13%	0.133	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134.8	178.8	179.9	-102.9	0	0	0	111.7	S78 R94 Y115 G144 D146	S78-Y92 WeakPolarHBondContact OG-CB 3.44Å; Y92-R94 HydrophobicContact CD1-CG 4.2Å; Y92-R94 HydrophobicContact CE1-CG 3.51Å; Y92-Y115 HydrophobicContact CD2-CE1 4.49Å; Y92-Y115 HydrophobicContact CE2-CE1 4.25Å; Y92-Y115 AromaticContact CE2-CZ 3.94Å; Y92-Y115 WeakPolarHBondContact CE2-OH 3.03Å; Y92-G144 WeakPolarHBondContact CA-O 3.43Å; Y92-G144 VanDerWaalsContact CD2-O 3.29Å; Y92-G144 WeakPolarHBondContact CD2-O 3.36Å; Y92-D146 HydrophobicContact CE2-CB 3.88Å; Y92-D146 WeakPolarHBondContact OH-CB 3.26Å
93	I	77.8	Confident	65.8	Low	1 Å²	1	55.5 Å²	55.5	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.3	-177.1	62.1	168.5	0	0	0	112.3	I91 T98 L99 I102 L112 V143 G144 A145 N152 I155	I91-I93 HydrophobicContact CG2-CG2 4.5Å; I93-T98 HydrophobicContact CB-CG2 4.1Å; I93-T98 HydrophobicContact CG2-CG2 3.47Å; I93-T98 VanDerWaalsContact CG2-CG2 3.47Å; I93-L99 HydrophobicContact CD1-CB 3.6Å; I93-L99 HydrophobicContact CD1-CD1 3.92Å; I93-L99 HydrophobicContact CD1-CD2 4.43Å; I93-L99 HydrophobicContact CD1-CG 4.18Å; I93-I102 HydrophobicContact CG2-CD1 3.58Å; I93-L112 HydrophobicContact CD1-CD1 4.29Å; I93-V143 HydrophobicContact CB-CG1 4.38Å; I93-V143 HydrophobicContact CD1-CG1 3.74Å; I93-V143 HydrophobicContact CG1-CG1 3.79Å; I93-V143 HydrophobicContact CG2-CG1 3.71Å; I93-G144 WeakPolarHBondContact CG1-O 3.5Å; I93-G144 PolarHBondContact N-O 3.41Å; I93-A145 HydrophobicContact CD1-CB 4.11Å; I93-A145 HydrophobicContact CG1-CB 3.82Å; I93-N152 PolarHBondContact O-ND2 3.49Å; I93-I155 HydrophobicContact CD1-CD1 3.48Å; I93-I155 VanDerWaalsContact CD1-CD1 3.48Å; I93-I155 HydrophobicContact CG1-CD1 3.99Å
94	R	74	Confident	67.5	Low	153 Å²	153	57.3 Å²	57.3	58%	0.577	33%	0.334	S	S	*	.	S	Bend	trans	-119.9	16.1	174.6	-62	-167.7	170.2	161.3	6.3	112.8	Y92 I149 E151 N152	Y92-R94 HydrophobicContact CD1-CG 4.2Å; Y92-R94 HydrophobicContact CE1-CG 3.51Å; R94-I149 HydrophobicContact CB-CD1 4.01Å; R94-I149 HydrophobicContact CG-CD1 3.67Å; R94-E151 HydrophobicContact CB-CB 4.3Å; R94-E151 CarbonylContact O-C 2.99Å; R94-E151 WeakPolarHBondContact O-CB 3.13Å; R94-N152 WeakPolarHBondContact CA-OD1 3.42Å; R94-N152 PolarHBondContact O-OD1 3.33Å
95	S	71.6	Confident	69.1	Low	30 Å²	30	57.9 Å²	57.9	21%	0.21	32%	0.322	C	S	.	.			trans	-156.4	154.4	170.7	81.5	0	0	0	0	112.1	L97 T98 L99 N152	S95-L97 VanDerWaalsContact C-N 3.32Å; S95-T98 WeakPolarHBondContact O-CB 3.21Å; S95-T98 PolarHBondContact O-N 2.85Å; S95-T98 PolarHBondContact OG-N 2.69Å; S95-T98 PolarHBondContact OG-OG1 2.93Å; S95-L99 PolarHBondContact O-N 3.45Å; S95-N152 WeakPolarHBondContact CA-OD1 2.81Å; S95-N152 PolarHBondContact N-OD1 3.14Å
96	S	74.4	Confident	71	Confident	18 Å²	18	54.4 Å²	54.4	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-35.5	171.1	52.1	0	0	0	0	112.8	T98 L99 E100	S96-T98 PolarHBondContact O-N 2.95Å; S96-L99 WeakPolarHBondContact O-CB 3.37Å; S96-L99 PolarHBondContact O-N 3.26Å; S96-L99 VanDerWaalsContact O-N 3.09Å; S96-E100 PolarHBondContact O-N 3.23Å
97	L	69.6	Low	72.5	Confident	92 Å²	92	57.8 Å²	57.8	48%	0.482	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-36	177	-65.2	175	0	0	0	111.7	S95 Y101	S95-L97 VanDerWaalsContact C-N 3.32Å; L97-Y101 PolarHBondContact O-N 3.39Å; L97-Y101 VanDerWaalsContact O-N 3.08Å
98	T	69.1	Low	73.7	Confident	18 Å²	18	56.3 Å²	56.3	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-44.4	174	-56.1	0	0	0	0	111.4	F76 I93 S95 S96 E100 Y101 I102	F76-T98 HydrophobicContact CB-CG2 4.06Å; F76-T98 HydrophobicContact CD1-CG2 3.23Å; F76-T98 HydrophobicContact CD2-CG2 4.3Å; F76-T98 HydrophobicContact CE1-CG2 3.56Å; F76-T98 HydrophobicContact CG-CG2 3.6Å; F76-T98 HydrophobicContact CZ-CG2 4.19Å; I93-T98 HydrophobicContact CB-CG2 4.1Å; I93-T98 HydrophobicContact CG2-CG2 3.47Å; I93-T98 VanDerWaalsContact CG2-CG2 3.47Å; S95-T98 WeakPolarHBondContact O-CB 3.21Å; S95-T98 PolarHBondContact O-N 2.85Å; S95-T98 PolarHBondContact OG-N 2.69Å; S95-T98 PolarHBondContact OG-OG1 2.93Å; S96-T98 PolarHBondContact O-N 2.95Å; T98-E100 VanDerWaalsContact C-N 3.33Å; T98-E100 PolarHBondContact O-N 3.4Å; T98-Y101 PolarHBondContact O-N 3.4Å; T98-I102 HydrophobicContact CG2-CD1 3.91Å; T98-I102 HydrophobicContact CG2-CG1 4.44Å; T98-I102 WeakPolarHBondContact O-CG1 3.43Å; T98-I102 PolarHBondContact O-N 3.44Å
99	L	80.3	Confident	74.9	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-57.6	-47.5	175.9	-176.4	60.2	0	0	0	111.1	I93 S95 S96 Y101 I102 V103 L112 V143 F159 L170	I93-L99 HydrophobicContact CD1-CB 3.6Å; I93-L99 HydrophobicContact CD1-CD1 3.92Å; I93-L99 HydrophobicContact CD1-CD2 4.43Å; I93-L99 HydrophobicContact CD1-CG 4.18Å; S95-L99 PolarHBondContact O-N 3.45Å; S96-L99 WeakPolarHBondContact O-CB 3.37Å; S96-L99 PolarHBondContact O-N 3.26Å; S96-L99 VanDerWaalsContact O-N 3.09Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 2.77Å; L99-I102 PolarHBondContact O-N 2.88Å; L99-V103 HydrophobicContact CD1-CG2 4.22Å; L99-V103 HydrophobicContact CG-CG2 4.39Å; L99-V103 VanDerWaalsContact O-CG2 3.28Å; L99-V103 WeakPolarHBondContact O-CG2 3.44Å; L99-V103 PolarHBondContact O-N 2.68Å; L99-L112 HydrophobicContact CD1-CD1 4.24Å; L99-L112 HydrophobicContact CD1-CD2 4.08Å; L99-L112 HydrophobicContact CD2-CD2 3.67Å; L99-V143 HydrophobicContact CD1-CG1 4.25Å; L99-F159 HydrophobicContact CD2-CE2 3.61Å; L99-F159 HydrophobicContact CD2-CZ 3.87Å; L99-L170 HydrophobicContact CD1-CD1 4.01Å
100	E	73.1	Confident	75.5	Confident	57 Å²	57	52.7 Å²	52.7	27%	0.266	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-41.7	178.2	-72.9	-175.8	-161.1	0	0	112.6	S96 T98 K104	S96-E100 PolarHBondContact O-N 3.23Å; T98-E100 VanDerWaalsContact C-N 3.33Å; T98-E100 PolarHBondContact O-N 3.4Å; E100-K104 WeakPolarHBondContact O-CB 3Å; E100-K104 VanDerWaalsContact O-CG 3.25Å; E100-K104 WeakPolarHBondContact O-CG 3.29Å; E100-K104 PolarHBondContact O-N 2.85Å; E100-K104 IonicContact OE2-NZ 3.82Å
101	Y	70.3	Confident	75.7	Confident	95 Å²	95	52 Å²	52	37%	0.373	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-46.4	176.9	-179.9	-90.9	0	0	0	111.6	F76 L97 T98 L99 K104 K105	F76-Y101 HydrophobicContact CD2-CD1 4.26Å; F76-Y101 HydrophobicContact CD2-CE1 4.48Å; F76-Y101 AromaticContact CE2-CD1 3.38Å; F76-Y101 HydrophobicContact CE2-CD1 3.38Å; F76-Y101 AromaticContact CE2-CE1 3.63Å; F76-Y101 HydrophobicContact CE2-CE1 3.63Å; F76-Y101 HydrophobicContact CE2-CG 4.23Å; F76-Y101 AromaticContact CZ-CD1 3.99Å; F76-Y101 HydrophobicContact CZ-CD1 3.99Å; F76-Y101 HydrophobicContact CZ-CE1 4.46Å; F76-Y101 HydrophobicContact CZ-CG 4.42Å; L97-Y101 PolarHBondContact O-N 3.39Å; L97-Y101 VanDerWaalsContact O-N 3.08Å; T98-Y101 PolarHBondContact O-N 3.4Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 2.77Å; Y101-K104 PolarHBondContact O-N 2.93Å; Y101-K105 HydrophobicContact CD1-CG 4.47Å; Y101-K105 HydrophobicContact CD2-CG 4.41Å; Y101-K105 HydrophobicContact CE1-CB 4.34Å; Y101-K105 HydrophobicContact CE1-CG 4.02Å; Y101-K105 HydrophobicContact CE2-CG 3.95Å; Y101-K105 WeakPolarHBondContact O-CB 3.43Å; Y101-K105 PolarHBondContact O-N 2.96Å
102	I	76.2	Confident	76.1	Confident	11 Å²	11	49.8 Å²	49.8	6%	0.056	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-48.9	178.1	-67.4	166.9	0	0	0	109.8	I91 I93 T98 L99 K104 K105 A106 V110 V141 V143	I91-I102 HydrophobicContact CB-CD1 4.47Å; I91-I102 HydrophobicContact CG2-CD1 3.69Å; I93-I102 HydrophobicContact CG2-CD1 3.58Å; T98-I102 HydrophobicContact CG2-CD1 3.91Å; T98-I102 HydrophobicContact CG2-CG1 4.44Å; T98-I102 WeakPolarHBondContact O-CG1 3.43Å; T98-I102 PolarHBondContact O-N 3.44Å; L99-I102 PolarHBondContact O-N 2.88Å; I102-K104 VanDerWaalsContact C-N 3.27Å; I102-K104 PolarHBondContact O-N 2.79Å; I102-K105 PolarHBondContact O-N 3.18Å; I102-K105 VanDerWaalsContact O-N 3.12Å; I102-A106 WeakPolarHBondContact O-CB 3.33Å; I102-A106 PolarHBondContact O-N 2.77Å; I102-V110 HydrophobicContact CG2-CG1 4.47Å; I102-V110 HydrophobicContact CG2-CG2 3.96Å; I102-V141 HydrophobicContact CG2-CG1 3.83Å; I102-V143 HydrophobicContact CD1-CG1 4.48Å; I102-V143 HydrophobicContact CD1-CG2 4.21Å; I102-V143 HydrophobicContact CG2-CG2 3.91Å
103	V	78.3	Confident	76.6	Confident	41 Å²	41	48.2 Å²	48.2	25%	0.248	25%	0.25	C	C	.	.	H	α-helix	trans	-58.9	-38.7	178.5	172.9	0	0	0	0	111.9	L99 V110 L170 L173	L99-V103 HydrophobicContact CD1-CG2 4.22Å; L99-V103 HydrophobicContact CG-CG2 4.39Å; L99-V103 VanDerWaalsContact O-CG2 3.28Å; L99-V103 WeakPolarHBondContact O-CG2 3.44Å; L99-V103 PolarHBondContact O-N 2.68Å; V103-V110 HydrophobicContact CG2-CB 4.27Å; V103-V110 HydrophobicContact CG2-CG1 4.42Å; V103-V110 HydrophobicContact CG2-CG2 4.12Å; V103-L170 HydrophobicContact CG2-CD1 3.8Å; V103-L173 HydrophobicContact CG1-CD1 4.29Å
104	K	72.3	Confident	77.2	Confident	126 Å²	126	48.2 Å²	48.2	55%	0.548	25%	0.25	S	C	.	.	H	α-helix	trans	-72.2	-24.7	178.2	-75.5	171.1	-178.7	166.4	0	114.1	E100 Y101 I102	E100-K104 WeakPolarHBondContact O-CB 3Å; E100-K104 VanDerWaalsContact O-CG 3.25Å; E100-K104 WeakPolarHBondContact O-CG 3.29Å; E100-K104 PolarHBondContact O-N 2.85Å; E100-K104 IonicContact OE2-NZ 3.82Å; Y101-K104 PolarHBondContact O-N 2.93Å; I102-K104 VanDerWaalsContact C-N 3.27Å; I102-K104 PolarHBondContact O-N 2.79Å
105	K	70.3	Confident	77.8	Confident	148 Å²	148	41.5 Å²	41.5	64%	0.643	23%	0.225	S	C	*	.	H	α-helix	trans	-113.6	-12.9	-172.6	-70.3	-65.5	-172	178.5	0	114.6	Y101 I102 S107	Y101-K105 HydrophobicContact CD1-CG 4.47Å; Y101-K105 HydrophobicContact CD2-CG 4.41Å; Y101-K105 HydrophobicContact CE1-CB 4.34Å; Y101-K105 HydrophobicContact CE1-CG 4.02Å; Y101-K105 HydrophobicContact CE2-CG 3.95Å; Y101-K105 WeakPolarHBondContact O-CB 3.43Å; Y101-K105 PolarHBondContact O-N 2.96Å; I102-K105 PolarHBondContact O-N 3.18Å; I102-K105 VanDerWaalsContact O-N 3.12Å; K105-S107 PolarHBondContact O-N 2.99Å
106	A	75.3	Confident	78.2	Confident	18 Å²	18	42.5 Å²	42.5	15%	0.149	23%	0.227	C	C	.	.			trans	-58.7	134.6	179.8	0	0	0	0	0	110.8	I102 G108 V110 V141	I102-A106 WeakPolarHBondContact O-CB 3.33Å; I102-A106 PolarHBondContact O-N 2.77Å; A106-G108 VanDerWaalsContact CB-O 3.31Å; A106-G108 WeakPolarHBondContact CB-O 3.3Å; A106-G108 PolarHBondContact O-N 2.82Å; A106-V110 HydrophobicContact CB-CG2 3.59Å; A106-V141 HydrophobicContact CB-CB 4.22Å; A106-V141 HydrophobicContact CB-CG2 3.71Å
107	S	68.2	Low	78.2	Confident	124 Å²	124	43.5 Å²	43.5	87%	0.867	23%	0.233	S	C	*	.	S	Bend	trans	-73.9	-6.6	175.2	49.8	0	0	0	0	113.3	K105	K105-S107 PolarHBondContact O-N 2.99Å
108	G	73.9	Confident	78	Confident	20 Å²	20	46.8 Å²	46.8	21%	0.206	25%	0.25	C	S	.	.	S	Bend	trans	-155.7	179.1	179.2	0	0	0	0	0	111.6	A106 V110	A106-G108 VanDerWaalsContact CB-O 3.31Å; A106-G108 WeakPolarHBondContact CB-O 3.3Å; A106-G108 PolarHBondContact O-N 2.82Å; G108-V110 PolarHBondContact O-N 3.25Å
109	P	78.5	Confident	78.2	Confident	42 Å²	42	49.9 Å²	49.9	27%	0.273	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-53.8	139.6	177.4	-26.3	34.1	0	0	0	113	G139 L140 V141 F169	P109-G139 WeakPolarHBondContact CD-O 3.47Å; P109-L140 HydrophobicContact CB-CD2 3.62Å; P109-L140 HydrophobicContact CG-CD2 3.91Å; P109-L140 WeakPolarHBondContact O-CA 3.37Å; P109-V141 PolarHBondContact O-N 2.84Å; P109-F169 HydrophobicContact CB-CE1 3.82Å; P109-F169 HydrophobicContact CB-CE2 4.19Å; P109-F169 HydrophobicContact CB-CZ 3.56Å; P109-F169 HydrophobicContact CG-CE1 4.22Å; P109-F169 HydrophobicContact CG-CZ 3.99Å
110	V	86.6	Confident	78.1	Confident	2 Å²	2	58 Å²	58	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.7	176.1	175.5	0	0	0	0	108.9	I102 V103 A106 G108 V141 V143 L170	I102-V110 HydrophobicContact CG2-CG1 4.47Å; I102-V110 HydrophobicContact CG2-CG2 3.96Å; V103-V110 HydrophobicContact CG2-CB 4.27Å; V103-V110 HydrophobicContact CG2-CG1 4.42Å; V103-V110 HydrophobicContact CG2-CG2 4.12Å; A106-V110 HydrophobicContact CB-CG2 3.59Å; G108-V110 PolarHBondContact O-N 3.25Å; V110-V141 CarbonylContact C-O 3.57Å; V110-V141 VanDerWaalsContact CA-O 3.23Å; V110-V141 WeakPolarHBondContact CA-O 3.44Å; V110-V141 HydrophobicContact CG2-CB 4.07Å; V110-V141 HydrophobicContact CG2-CG1 4.33Å; V110-V143 HydrophobicContact CG1-CB 4.16Å; V110-V143 HydrophobicContact CG1-CG2 3.52Å; V110-L170 HydrophobicContact CB-CB 4.05Å; V110-L170 HydrophobicContact CB-CD1 4.34Å; V110-L170 HydrophobicContact CG1-CD1 4.06Å; V110-L170 PolarHBondContact N-O 3.43Å; V110-L170 WeakPolarHBondContact O-CA 3.37Å; V110-L170 VanDerWaalsContact O-CB 3.27Å; V110-L170 WeakPolarHBondContact O-CB 3.26Å; V110-L170 PolarHBondContact O-N 3.38Å
111	V	88.5	Confident	78.5	Confident	10 Å²	10	59.7 Å²	59.7	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.2	170.7	-163.9	0	0	0	0	107.5	F129 L140 V141 F142 V143 L167 L168 F169	V111-F129 HydrophobicContact CB-CE2 4.25Å; V111-F129 HydrophobicContact CB-CZ 4.42Å; V111-F129 HydrophobicContact CG1-CE2 3.75Å; V111-F129 HydrophobicContact CG1-CZ 4.33Å; V111-F129 WeakPolarHBondContact O-CZ 3.5Å; V111-L140 HydrophobicContact CG2-CB 4.27Å; V111-L140 HydrophobicContact CG2-CD1 4.19Å; V111-L140 HydrophobicContact CG2-CD2 4.26Å; V111-L140 HydrophobicContact CG2-CG 4.49Å; V111-V141 PolarHBondContact N-O 3.25Å; V111-F142 HydrophobicContact CB-CD1 3.92Å; V111-F142 HydrophobicContact CB-CE1 4.07Å; V111-F142 HydrophobicContact CG1-CD1 4.45Å; V111-F142 HydrophobicContact CG1-CE1 4.43Å; V111-F142 HydrophobicContact CG2-CD1 4.26Å; V111-F142 HydrophobicContact CG2-CE1 4Å; V111-F142 HydrophobicContact CG2-CZ 4.38Å; V111-F142 CarbonylContact O-C 3.57Å; V111-F142 WeakPolarHBondContact O-CA 3.48Å; V111-V143 PolarHBondContact O-N 2.96Å; V111-L167 HydrophobicContact CG1-CD1 4.11Å; V111-L167 HydrophobicContact CG1-CG 4.3Å; V111-L168 CarbonylContact C-O 3.59Å; V111-L168 WeakPolarHBondContact CA-O 3.35Å; V111-F169 HydrophobicContact CG1-CD2 4.39Å; V111-F169 HydrophobicContact CG2-CD2 3.64Å; V111-F169 HydrophobicContact CG2-CE2 3.69Å
112	L	90.3	Very high	79.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.6	-178.6	172.6	66.2	0	0	0	110.5	I93 L99 I114 V143 A145 F159 L167 L168 L170	I93-L112 HydrophobicContact CD1-CD1 4.29Å; L99-L112 HydrophobicContact CD1-CD1 4.24Å; L99-L112 HydrophobicContact CD1-CD2 4.08Å; L99-L112 HydrophobicContact CD2-CD2 3.67Å; L112-I114 HydrophobicContact CD1-CG1 4.49Å; L112-I114 HydrophobicContact CD2-CD1 4.17Å; L112-I114 HydrophobicContact CD2-CG1 4.04Å; L112-I114 HydrophobicContact CG-CG1 4.03Å; L112-V143 CarbonylContact C-O 3.45Å; L112-V143 WeakPolarHBondContact CA-O 3.38Å; L112-V143 HydrophobicContact CD1-CB 4.03Å; L112-V143 HydrophobicContact CD1-CG1 3.72Å; L112-A145 HydrophobicContact CD1-CB 3.94Å; L112-F159 HydrophobicContact CD2-CD2 4.36Å; L112-F159 HydrophobicContact CD2-CE2 3.56Å; L112-F159 HydrophobicContact CD2-CZ 3.82Å; L112-L167 CarbonylContact O-C 3.57Å; L112-L167 WeakPolarHBondContact O-CA 3.46Å; L112-L168 HydrophobicContact CB-CB 4.21Å; L112-L168 HydrophobicContact CD2-CD1 4.01Å; L112-L168 PolarHBondContact N-O 2.93Å; L112-L168 PolarHBondContact O-N 3.43Å; L112-L170 HydrophobicContact CB-CD1 4.08Å; L112-L170 HydrophobicContact CD2-CD1 4.37Å
113	L	90.7	Very high	79.4	Confident	2 Å²	2	57 Å²	57	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.4	167.1	176.5	64.6	0	0	0	109.4	Y115 K126 F129 V143 G144 A145 P165 M166 L167	L113-Y115 HydrophobicContact CD2-CD1 4.44Å; L113-Y115 HydrophobicContact CG-CD1 4.3Å; L113-K126 HydrophobicContact CD2-CG 4.07Å; L113-F129 HydrophobicContact CB-CD1 3.91Å; L113-F129 HydrophobicContact CB-CD2 4.06Å; L113-F129 HydrophobicContact CB-CE1 3.72Å; L113-F129 HydrophobicContact CB-CE2 3.89Å; L113-F129 HydrophobicContact CB-CG 4.06Å; L113-F129 HydrophobicContact CB-CZ 3.7Å; L113-F129 HydrophobicContact CD2-CB 3.77Å; L113-F129 HydrophobicContact CD2-CD1 3.84Å; L113-F129 HydrophobicContact CD2-CD2 4.38Å; L113-F129 HydrophobicContact CD2-CE1 4.48Å; L113-F129 HydrophobicContact CD2-CG 3.76Å; L113-F129 HydrophobicContact CG-CG 4.49Å; L113-V143 PolarHBondContact N-O 2.78Å; L113-G144 CarbonylContact O-C 3.45Å; L113-G144 WeakPolarHBondContact O-CA 3.23Å; L113-A145 PolarHBondContact O-N 2.89Å; L113-P165 HydrophobicContact CD1-CB 4.17Å; L113-M166 WeakPolarHBondContact CA-O 3.13Å; L113-L167 HydrophobicContact CB-CD1 4.41Å; L113-L167 HydrophobicContact CD1-CD1 4.34Å
114	I	90.2	Very high	79.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.7	169	-58.4	175.4	0	0	0	107.9	L112 A145 Y147 I155 F159 T161 P165 M166 L168	L112-I114 HydrophobicContact CD1-CG1 4.49Å; L112-I114 HydrophobicContact CD2-CD1 4.17Å; L112-I114 HydrophobicContact CD2-CG1 4.04Å; L112-I114 HydrophobicContact CG-CG1 4.03Å; I114-A145 WeakPolarHBondContact CA-O 3.46Å; I114-A145 HydrophobicContact CG1-CB 4.4Å; I114-Y147 HydrophobicContact CG2-CD2 3.46Å; I114-Y147 VanDerWaalsContact CG2-CD2 3.46Å; I114-Y147 HydrophobicContact CG2-CE2 4.35Å; I114-Y147 HydrophobicContact CG2-CG 4.02Å; I114-I155 HydrophobicContact CD1-CG2 3.85Å; I114-I155 HydrophobicContact CG1-CG2 4.27Å; I114-F159 HydrophobicContact CD1-CB 4.08Å; I114-F159 HydrophobicContact CD1-CD2 3.59Å; I114-F159 HydrophobicContact CD1-CE2 4.27Å; I114-F159 HydrophobicContact CD1-CG 3.98Å; I114-T161 HydrophobicContact CD1-CG2 4.15Å; I114-P165 WeakPolarHBondContact O-CA 3.25Å; I114-M166 HydrophobicContact CB-CB 4.31Å; I114-M166 PolarHBondContact N-O 3.05Å; I114-M166 PolarHBondContact O-N 3.08Å; I114-L168 HydrophobicContact CD1-CD1 3.86Å
115	Y	86.4	Confident	80.3	Confident	13 Å²	13	59.9 Å²	59.9	5%	0.051	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	163.2	-174.7	69.6	-93	0	0	0	112.2	Y92 L113 P117 K126 A145 D146 Y147	Y92-Y115 HydrophobicContact CD2-CE1 4.49Å; Y92-Y115 HydrophobicContact CE2-CE1 4.25Å; Y92-Y115 AromaticContact CE2-CZ 3.94Å; Y92-Y115 WeakPolarHBondContact CE2-OH 3.03Å; L113-Y115 HydrophobicContact CD2-CD1 4.44Å; L113-Y115 HydrophobicContact CG-CD1 4.3Å; Y115-P117 HydrophobicContact CD2-CG 4.47Å; Y115-P117 HydrophobicContact CE2-CG 4.04Å; Y115-K126 HydrophobicContact CD1-CD 4.4Å; Y115-K126 HydrophobicContact CD1-CG 4.36Å; Y115-K126 HydrophobicContact CD2-CD 3.57Å; Y115-K126 HydrophobicContact CD2-CG 4.35Å; Y115-K126 HydrophobicContact CE2-CD 3.81Å; Y115-K126 HydrophobicContact CG-CD 3.89Å; Y115-K126 HydrophobicContact CG-CG 4.17Å; Y115-A145 WeakPolarHBondContact CD1-O 3.49Å; Y115-A145 PolarHBondContact N-O 3.36Å; Y115-D146 HydrophobicContact CE2-CB 4.29Å; Y115-D146 CarbonylContact O-C 3.53Å; Y115-D146 WeakPolarHBondContact O-CA 3.47Å; Y115-Y147 WeakPolarHBondContact O-CB 3.31Å; Y115-Y147 PolarHBondContact O-N 3.1Å
116	I	80.3	Confident	81.1	Confident	50 Å²	50	53.2 Å²	53.2	26%	0.256	28%	0.284	S	S	.	.			trans	-114.9	126.3	166.8	-69.6	162.4	0	0	0	107.7	L119 C122 Y147 I164	I116-L119 HydrophobicContact CB-CD1 3.75Å; I116-L119 HydrophobicContact CB-CG 4.26Å; I116-L119 HydrophobicContact CD1-CD1 4.22Å; I116-L119 HydrophobicContact CG2-CD1 3.92Å; I116-L119 HydrophobicContact CG2-CG 4.03Å; I116-C122 PolarHBondContact N-SG 2.75Å; I116-C122 VanDerWaalsContact N-SG 3.41Å; I116-C122 WeakPolarHBondContact O-CB 3.39Å; I116-C122 PolarHBondContact O-SG 3.14Å; I116-Y147 HydrophobicContact CD1-CD1 4.43Å; I116-I164 HydrophobicContact CB-CG2 4.35Å; I116-I164 HydrophobicContact CD1-CB 4.38Å; I116-I164 HydrophobicContact CD1-CD1 3.67Å; I116-I164 HydrophobicContact CD1-CG2 4.05Å; I116-I164 HydrophobicContact CG1-CD1 4.1Å; I116-I164 HydrophobicContact CG1-CG2 3.96Å
117	P	73.5	Confident	81.5	Confident	39 Å²	39	56.2 Å²	56.2	25%	0.253	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	153	178.2	-22.1	28.9	0	0	0	112.9	Y115 L119 D146	Y115-P117 HydrophobicContact CD2-CG 4.47Å; Y115-P117 HydrophobicContact CE2-CG 4.04Å; P117-L119 PolarHBondContact O-N 3.26Å; P117-D146 WeakPolarHBondContact CD-OD1 3.04Å; P117-D146 WeakPolarHBondContact CG-OD2 3.24Å
118	L	65.1	Low	82.3	Confident	161 Å²	161	54.2 Å²	54.2	84%	0.843	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	-2.2	173.9	-52.9	171.1	0	0	0	115.8	E123	L118-E123 PolarHBondContact N-OE1 2.7Å
119	L	73.1	Confident	83.1	Confident	83 Å²	83	53.7 Å²	53.7	44%	0.435	28%	0.275	S	S	.	.			trans	-77.8	125.2	165	-68	-177.2	0	0	0	109.2	I116 P117 L121 C122 E123	I116-L119 HydrophobicContact CB-CD1 3.75Å; I116-L119 HydrophobicContact CB-CG 4.26Å; I116-L119 HydrophobicContact CD1-CD1 4.22Å; I116-L119 HydrophobicContact CG2-CD1 3.92Å; I116-L119 HydrophobicContact CG2-CG 4.03Å; P117-L119 PolarHBondContact O-N 3.26Å; L119-L121 VanDerWaalsContact C-N 3.3Å; L119-L121 PolarHBondContact O-N 3.16Å; L119-C122 HydrophobicContact CB-CB 3.97Å; L119-C122 WeakPolarHBondContact O-CA 3.4Å; L119-C122 WeakPolarHBondContact O-CB 3.14Å; L119-C122 PolarHBondContact O-N 3.25Å; L119-E123 PolarHBondContact O-N 3.21Å
120	E	77.9	Confident	83.4	Confident	177 Å²	177	51.8 Å²	51.8	83%	0.827	26%	0.263	S	S	*	.	H	α-helix	trans	-49.7	-49.1	-176.6	-173.8	177	-175.4	0	0	112.4	C122 E123 E124	E120-C122 VanDerWaalsContact C-N 3.33Å; E120-C122 PolarHBondContact O-N 3.21Å; E120-E123 PolarHBondContact O-N 3.36Å; E120-E124 PolarHBondContact O-N 3.5Å
121	L	81.8	Confident	83.1	Confident	91 Å²	91	54.2 Å²	54.2	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-36.4	177.7	-170.3	66.1	0	0	0	112.7	L119 Y125 P165	L119-L121 VanDerWaalsContact C-N 3.3Å; L119-L121 PolarHBondContact O-N 3.16Å; L121-Y125 HydrophobicContact CD1-CD2 4.1Å; L121-Y125 HydrophobicContact CD1-CE2 3.82Å; L121-Y125 HydrophobicContact CG-CD2 4.18Å; L121-Y125 HydrophobicContact CG-CE2 4.14Å; L121-Y125 VanDerWaalsContact O-CD2 3.23Å; L121-Y125 WeakPolarHBondContact O-CD2 3.49Å; L121-Y125 PolarHBondContact O-N 3.18Å; L121-Y125 VanDerWaalsContact O-N 3.1Å; L121-P165 HydrophobicContact CD2-CG 4.3Å; L121-P165 HydrophobicContact CG-CG 4.07Å
122	C	83.9	Confident	82.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.9	-40.5	176.5	-73.3	0	0	0	0	111.4	I116 L119 E120 Y125 K126	I116-C122 PolarHBondContact N-SG 2.75Å; I116-C122 VanDerWaalsContact N-SG 3.41Å; I116-C122 WeakPolarHBondContact O-CB 3.39Å; I116-C122 PolarHBondContact O-SG 3.14Å; L119-C122 HydrophobicContact CB-CB 3.97Å; L119-C122 WeakPolarHBondContact O-CA 3.4Å; L119-C122 WeakPolarHBondContact O-CB 3.14Å; L119-C122 PolarHBondContact O-N 3.25Å; E120-C122 VanDerWaalsContact C-N 3.33Å; E120-C122 PolarHBondContact O-N 3.21Å; C122-Y125 PolarHBondContact O-N 2.85Å; C122-K126 WeakPolarHBondContact O-CB 3.08Å; C122-K126 WeakPolarHBondContact O-CD 3.48Å; C122-K126 WeakPolarHBondContact O-CG 3.41Å; C122-K126 PolarHBondContact O-N 3.21Å
123	E	82.5	Confident	82.7	Confident	50 Å²	50	56.1 Å²	56.1	23%	0.234	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-35.8	178.1	-63.5	-54.7	145.2	0	0	112.4	L118 L119 E120 K126 T127	L118-E123 PolarHBondContact N-OE1 2.7Å; L119-E123 PolarHBondContact O-N 3.21Å; E120-E123 PolarHBondContact O-N 3.36Å; E123-K126 WeakPolarHBondContact O-CB 3.34Å; E123-K126 IonicContact OE1-NZ 2.99Å; E123-K126 PolarHBondContact OE1-NZ 3.47Å; E123-K126 IonicContact OE2-NZ 3.66Å; E123-K126 PolarHBondContact OE2-NZ 3.25Å; E123-T127 PolarHBondContact O-N 3.38Å; E123-T127 PolarHBondContact O-OG1 2.83Å
124	E	82.6	Confident	82.1	Confident	120 Å²	120	58.1 Å²	58.1	56%	0.561	31%	0.309	S	S	*	.	H	α-helix	trans	-63.1	-51.2	171.5	-171.9	-177.3	178.1	0	0	111.4	E120 K126 T127 V128	E120-E124 PolarHBondContact O-N 3.5Å; E124-K126 VanDerWaalsContact C-N 3.3Å; E124-K126 PolarHBondContact O-N 2.89Å; E124-T127 WeakPolarHBondContact O-CB 3.44Å; E124-T127 PolarHBondContact O-N 2.99Å; E124-V128 WeakPolarHBondContact O-CG2 2.95Å; E124-V128 PolarHBondContact O-N 3.2Å
125	Y	87.4	Confident	81.5	Confident	108 Å²	108	67.8 Å²	67.8	42%	0.424	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-41.8	178.6	-93	-108.8	0	0	0	112.1	L121 C122 T127 V128 F129 P165	L121-Y125 HydrophobicContact CD1-CD2 4.1Å; L121-Y125 HydrophobicContact CD1-CE2 3.82Å; L121-Y125 HydrophobicContact CG-CD2 4.18Å; L121-Y125 HydrophobicContact CG-CE2 4.14Å; L121-Y125 VanDerWaalsContact O-CD2 3.23Å; L121-Y125 WeakPolarHBondContact O-CD2 3.49Å; L121-Y125 PolarHBondContact O-N 3.18Å; L121-Y125 VanDerWaalsContact O-N 3.1Å; C122-Y125 PolarHBondContact O-N 2.85Å; Y125-T127 PolarHBondContact O-N 3.37Å; Y125-V128 PolarHBondContact O-N 3.34Å; Y125-F129 WeakPolarHBondContact O-CB 3.22Å; Y125-F129 PolarHBondContact O-N 2.69Å; Y125-P165 HydrophobicContact CD1-CB 4.38Å; Y125-P165 HydrophobicContact CD1-CG 4.08Å; Y125-P165 HydrophobicContact CD2-CG 3.75Å; Y125-P165 HydrophobicContact CE1-CG 4.46Å; Y125-P165 HydrophobicContact CE2-CG 4.16Å; Y125-P165 HydrophobicContact CG-CB 4.19Å; Y125-P165 HydrophobicContact CG-CG 3.69Å
126	K	86.1	Confident	81.2	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.035	37%	0.368	C	S	.	.	H	α-helix	trans	-55.1	-47.9	174.5	-91.6	170.8	98.3	-135	0	112	W81 L113 Y115 C122 E123 E124 F129 G130	W81-K126 HydrophobicContact CH2-CB 3.2Å; W81-K126 HydrophobicContact CH2-CD 3.89Å; W81-K126 VanDerWaalsContact CH2-CE 3.44Å; W81-K126 HydrophobicContact CH2-CG 3.32Å; W81-K126 HydrophobicContact CZ2-CB 3.42Å; W81-K126 VanDerWaalsContact CZ2-CB 3.42Å; W81-K126 HydrophobicContact CZ2-CD 3.69Å; W81-K126 HydrophobicContact CZ2-CG 3.64Å; W81-K126 HydrophobicContact CZ3-CB 4.4Å; W81-K126 HydrophobicContact CZ3-CG 4.2Å; L113-K126 HydrophobicContact CD2-CG 4.07Å; Y115-K126 HydrophobicContact CD1-CD 4.4Å; Y115-K126 HydrophobicContact CD1-CG 4.36Å; Y115-K126 HydrophobicContact CD2-CD 3.57Å; Y115-K126 HydrophobicContact CD2-CG 4.35Å; Y115-K126 HydrophobicContact CE2-CD 3.81Å; Y115-K126 HydrophobicContact CG-CD 3.89Å; Y115-K126 HydrophobicContact CG-CG 4.17Å; C122-K126 WeakPolarHBondContact O-CB 3.08Å; C122-K126 WeakPolarHBondContact O-CD 3.48Å; C122-K126 WeakPolarHBondContact O-CG 3.41Å; C122-K126 PolarHBondContact O-N 3.21Å; E123-K126 WeakPolarHBondContact O-CB 3.34Å; E123-K126 IonicContact OE1-NZ 2.99Å; E123-K126 PolarHBondContact OE1-NZ 3.47Å; E123-K126 IonicContact OE2-NZ 3.66Å; E123-K126 PolarHBondContact OE2-NZ 3.25Å; E124-K126 VanDerWaalsContact C-N 3.3Å; E124-K126 PolarHBondContact O-N 2.89Å; K126-F129 PolarHBondContact O-N 2.67Å; K126-G130 PolarHBondContact O-N 2.91Å
127	T	83.2	Confident	80.8	Confident	80 Å²	80	74.3 Å²	74.3	49%	0.491	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-46.4	177.8	-58.2	0	0	0	0	111.9	E123 E124 Y125 S131	E123-T127 PolarHBondContact O-N 3.38Å; E123-T127 PolarHBondContact O-OG1 2.83Å; E124-T127 WeakPolarHBondContact O-CB 3.44Å; E124-T127 PolarHBondContact O-N 2.99Å; Y125-T127 PolarHBondContact O-N 3.37Å; T127-S131 PolarHBondContact O-N 2.97Å; T127-S131 VanDerWaalsContact O-N 3.13Å; T127-S131 PolarHBondContact O-OG 3.27Å
128	V	86.4	Confident	80.6	Confident	82 Å²	82	81.7 Å²	81.7	50%	0.497	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-44.9	177.2	176	0	0	0	0	110.7	E124 Y125 S131 V132	E124-V128 WeakPolarHBondContact O-CG2 2.95Å; E124-V128 PolarHBondContact O-N 3.2Å; Y125-V128 PolarHBondContact O-N 3.34Å; V128-S131 WeakPolarHBondContact O-CB 3.5Å; V128-S131 PolarHBondContact O-N 3.39Å; V128-V132 HydrophobicContact CG1-CG2 4.29Å; V128-V132 VanDerWaalsContact O-CG2 3.3Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 2.96Å
129	F	90	Very high	80.9	Confident	10 Å²	10	76 Å²	76	4%	0.044	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-44.1	-178.1	-171.7	-105.4	0	0	0	112.1	V90 V111 L113 Y125 K126 V132 A133 F142 L167	V90-F129 HydrophobicContact CG1-CD1 4.21Å; V90-F129 HydrophobicContact CG1-CE1 3.82Å; V90-F129 HydrophobicContact CG2-CD1 4.01Å; V90-F129 HydrophobicContact CG2-CE1 4.12Å; V111-F129 HydrophobicContact CB-CE2 4.25Å; V111-F129 HydrophobicContact CB-CZ 4.42Å; V111-F129 HydrophobicContact CG1-CE2 3.75Å; V111-F129 HydrophobicContact CG1-CZ 4.33Å; V111-F129 WeakPolarHBondContact O-CZ 3.5Å; L113-F129 HydrophobicContact CB-CD1 3.91Å; L113-F129 HydrophobicContact CB-CD2 4.06Å; L113-F129 HydrophobicContact CB-CE1 3.72Å; L113-F129 HydrophobicContact CB-CE2 3.89Å; L113-F129 HydrophobicContact CB-CG 4.06Å; L113-F129 HydrophobicContact CB-CZ 3.7Å; L113-F129 HydrophobicContact CD2-CB 3.77Å; L113-F129 HydrophobicContact CD2-CD1 3.84Å; L113-F129 HydrophobicContact CD2-CD2 4.38Å; L113-F129 HydrophobicContact CD2-CE1 4.48Å; L113-F129 HydrophobicContact CD2-CG 3.76Å; L113-F129 HydrophobicContact CG-CG 4.49Å; Y125-F129 WeakPolarHBondContact O-CB 3.22Å; Y125-F129 PolarHBondContact O-N 2.69Å; K126-F129 PolarHBondContact O-N 2.67Å; F129-V132 PolarHBondContact O-N 3.45Å; F129-A133 WeakPolarHBondContact O-CB 3.34Å; F129-A133 PolarHBondContact O-N 2.55Å; F129-F142 HydrophobicContact CD2-CD1 4.28Å; F129-F142 HydrophobicContact CE1-CB 3.99Å; F129-F142 HydrophobicContact CE1-CD1 4.2Å; F129-F142 AromaticContact CE2-CD1 3.68Å; F129-F142 HydrophobicContact CE2-CD1 3.68Å; F129-F142 HydrophobicContact CE2-CE1 4.34Å; F129-F142 HydrophobicContact CZ-CB 3.97Å; F129-F142 AromaticContact CZ-CD1 3.66Å; F129-F142 HydrophobicContact CZ-CD1 3.66Å; F129-F142 HydrophobicContact CZ-CG 4.32Å; F129-L167 HydrophobicContact CD2-CD1 3.54Å; F129-L167 HydrophobicContact CE2-CD1 3.44Å; F129-L167 VanDerWaalsContact CE2-CD1 3.44Å
130	G	84.6	Confident	81.4	Confident	2 Å²	2	74.1 Å²	74.1	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-56.8	-50	171.1	0	0	0	0	0	111.4	T87 K126 V132 A133 A134	T87-G130 WeakPolarHBondContact CB-O 3.27Å; T87-G130 VanDerWaalsContact CG2-C 3.42Å; T87-G130 VanDerWaalsContact CG2-O 3.26Å; T87-G130 WeakPolarHBondContact CG2-O 3.5Å; T87-G130 VanDerWaalsContact OG1-CA 3.28Å; T87-G130 WeakPolarHBondContact OG1-CA 3.22Å; K126-G130 PolarHBondContact O-N 2.91Å; G130-V132 VanDerWaalsContact C-N 3.3Å; G130-V132 PolarHBondContact O-N 3.45Å; G130-A133 WeakPolarHBondContact O-CB 3.16Å; G130-A133 PolarHBondContact O-N 3.24Å; G130-A133 VanDerWaalsContact O-N 3.1Å; G130-A134 PolarHBondContact O-N 3.31Å
131	S	80.5	Confident	81.8	Confident	52 Å²	52	66.9 Å²	66.9	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-59.3	-38.3	178.9	-62.7	0	0	0	0	113.2	T127 V128 R135	T127-S131 PolarHBondContact O-N 2.97Å; T127-S131 VanDerWaalsContact O-N 3.13Å; T127-S131 PolarHBondContact O-OG 3.27Å; V128-S131 WeakPolarHBondContact O-CB 3.5Å; V128-S131 PolarHBondContact O-N 3.39Å; S131-R135 WeakPolarHBondContact O-CG 3.17Å; S131-R135 PolarHBondContact O-N 2.86Å
132	V	85.4	Confident	82.1	Confident	51 Å²	51	62.8 Å²	62.8	31%	0.309	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-44.7	174.5	173.3	0	0	0	0	110.2	V128 F129 G130 A134 R135 F136 F142	V128-V132 HydrophobicContact CG1-CG2 4.29Å; V128-V132 VanDerWaalsContact O-CG2 3.3Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 2.96Å; F129-V132 PolarHBondContact O-N 3.45Å; G130-V132 VanDerWaalsContact C-N 3.3Å; G130-V132 PolarHBondContact O-N 3.45Å; V132-A134 VanDerWaalsContact C-N 3.27Å; V132-A134 PolarHBondContact O-N 3.49Å; V132-R135 PolarHBondContact O-N 3.1Å; V132-F136 HydrophobicContact CG1-CD2 3.75Å; V132-F136 HydrophobicContact CG1-CE2 4.33Å; V132-F136 WeakPolarHBondContact O-CD2 3.38Å; V132-F136 PolarHBondContact O-N 3.4Å; V132-F142 HydrophobicContact CB-CE1 4.48Å; V132-F142 HydrophobicContact CG1-CE1 3.7Å; V132-F142 HydrophobicContact CG1-CZ 3.83Å
133	A	85.5	Confident	82.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-36.9	176.1	0	0	0	0	0	112.5	N89 V90 F129 G130 R135 N137 F142	N89-A133 HydrophobicContact CB-CB 3.99Å; N89-A133 WeakPolarHBondContact CB-O 3.22Å; N89-A133 PolarHBondContact ND2-O 2.96Å; V90-A133 HydrophobicContact CG2-CB 3.47Å; V90-A133 VanDerWaalsContact CG2-CB 3.47Å; F129-A133 WeakPolarHBondContact O-CB 3.34Å; F129-A133 PolarHBondContact O-N 2.55Å; G130-A133 WeakPolarHBondContact O-CB 3.16Å; G130-A133 PolarHBondContact O-N 3.24Å; G130-A133 VanDerWaalsContact O-N 3.1Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 2.71Å; A133-N137 WeakPolarHBondContact O-CB 3.13Å; A133-N137 PolarHBondContact O-N 2.62Å; A133-F142 HydrophobicContact CB-CB 3.64Å; A133-F142 HydrophobicContact CB-CD1 3.84Å; A133-F142 HydrophobicContact CB-CD2 3.56Å; A133-F142 HydrophobicContact CB-CE1 4.41Å; A133-F142 HydrophobicContact CB-CE2 4.16Å; A133-F142 HydrophobicContact CB-CG 3.38Å
134	A	77.1	Confident	82.8	Confident	44 Å²	44	60.5 Å²	60.5	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-41	172.6	0	0	0	0	0	112.6	T87 N89 G130 V132	T87-A134 HydrophobicContact CG2-CB 3.78Å; N89-A134 VanDerWaalsContact ND2-CA 3.3Å; N89-A134 WeakPolarHBondContact ND2-CA 3.29Å; G130-A134 PolarHBondContact O-N 3.31Å; V132-A134 VanDerWaalsContact C-N 3.27Å; V132-A134 PolarHBondContact O-N 3.49Å
135	R	77.2	Confident	83	Confident	203 Å²	203	54.8 Å²	54.8	77%	0.766	29%	0.287	S	S	*	.	H	α-helix	trans	-83.5	-30.7	-175.6	-69.7	177.5	-176.4	-177.2	2.8	114	S131 V132 A133	S131-R135 WeakPolarHBondContact O-CG 3.17Å; S131-R135 PolarHBondContact O-N 2.86Å; V132-R135 PolarHBondContact O-N 3.1Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 2.71Å
136	F	80.7	Confident	82.9	Confident	120 Å²	120	50.2 Å²	50.2	53%	0.526	27%	0.27	S	S	.	.	S	Bend	trans	-117.2	24.5	-169.6	-65	-79.3	0	0	0	114.1	V132 Q138 L140 F142	V132-F136 HydrophobicContact CG1-CD2 3.75Å; V132-F136 HydrophobicContact CG1-CE2 4.33Å; V132-F136 WeakPolarHBondContact O-CD2 3.38Å; V132-F136 PolarHBondContact O-N 3.4Å; F136-Q138 PolarHBondContact O-N 3.45Å; F136-Q138 VanDerWaalsContact O-N 3.15Å; F136-L140 HydrophobicContact CB-CD1 4.37Å; F136-L140 PolarHBondContact O-N 3.42Å; F136-F142 HydrophobicContact CB-CE2 4.11Å; F136-F142 HydrophobicContact CB-CZ 4Å
137	N	72.8	Confident	82.7	Confident	80 Å²	80	52 Å²	52	43%	0.428	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9	-179.9	66.6	-6.7	0	0	0	115.3	N89 A133 G139	N89-N137 HydrophobicContact CB-CB 4.26Å; N89-N137 VanDerWaalsContact ND2-CB 3.34Å; N89-N137 WeakPolarHBondContact ND2-CB 3.39Å; N89-N137 PolarHBondContact ND2-ND2 3.39Å; N89-N137 PolarHBondContact OD1-ND2 3.06Å; A133-N137 WeakPolarHBondContact O-CB 3.13Å; A133-N137 PolarHBondContact O-N 2.62Å; N137-G139 VanDerWaalsContact C-N 3.28Å; N137-G139 PolarHBondContact O-N 2.68Å
138	Q	69	Low	82.3	Confident	193 Å²	193	51.3 Å²	51.3	90%	0.902	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	8.5	-177.4	-65.2	-167.5	-17.3	0	0	114.8	F136	F136-Q138 PolarHBondContact O-N 3.45Å; F136-Q138 VanDerWaalsContact O-N 3.15Å
139	G	71.7	Confident	81.8	Confident	41 Å²	41	49 Å²	49	42%	0.423	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-170	-4.2	178.2	0	0	0	0	0	115.9	P109 N137	P109-G139 WeakPolarHBondContact CD-O 3.47Å; N137-G139 VanDerWaalsContact C-N 3.28Å; N137-G139 PolarHBondContact O-N 2.68Å
140	L	83.1	Confident	80.8	Confident	45 Å²	45	52.6 Å²	52.6	24%	0.236	29%	0.286	C	S	.	.			trans	-124.1	142	176.2	-65.2	175.6	0	0	0	109.1	P109 V111 F136 F142 F169	P109-L140 HydrophobicContact CB-CD2 3.62Å; P109-L140 HydrophobicContact CG-CD2 3.91Å; P109-L140 WeakPolarHBondContact O-CA 3.37Å; V111-L140 HydrophobicContact CG2-CB 4.27Å; V111-L140 HydrophobicContact CG2-CD1 4.19Å; V111-L140 HydrophobicContact CG2-CD2 4.26Å; V111-L140 HydrophobicContact CG2-CG 4.49Å; F136-L140 HydrophobicContact CB-CD1 4.37Å; F136-L140 PolarHBondContact O-N 3.42Å; L140-F142 HydrophobicContact CB-CD2 4.19Å; L140-F142 HydrophobicContact CB-CE2 3.48Å; L140-F142 VanDerWaalsContact CB-CE2 3.48Å; L140-F142 HydrophobicContact CB-CZ 3.84Å; L140-F142 HydrophobicContact CD1-CE2 4.3Å; L140-F142 HydrophobicContact CD1-CZ 3.83Å; L140-F169 HydrophobicContact CD1-CE2 4.3Å; L140-F169 HydrophobicContact CD2-CE2 3.6Å; L140-F169 HydrophobicContact CD2-CZ 3.66Å
141	V	85.6	Confident	80.3	Confident	24 Å²	24	57.5 Å²	57.5	15%	0.145	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112.8	174.4	177.7	0	0	0	0	107.9	I91 I102 A106 P109 V110 V111 V143	I91-V141 HydrophobicContact CD1-CG1 3.67Å; I102-V141 HydrophobicContact CG2-CG1 3.83Å; A106-V141 HydrophobicContact CB-CB 4.22Å; A106-V141 HydrophobicContact CB-CG2 3.71Å; P109-V141 PolarHBondContact O-N 2.84Å; V110-V141 CarbonylContact C-O 3.57Å; V110-V141 VanDerWaalsContact CA-O 3.23Å; V110-V141 WeakPolarHBondContact CA-O 3.44Å; V110-V141 HydrophobicContact CG2-CB 4.07Å; V110-V141 HydrophobicContact CG2-CG1 4.33Å; V111-V141 PolarHBondContact N-O 3.25Å; V141-V143 HydrophobicContact CG1-CG2 4.21Å
142	F	88.7	Confident	80.2	Confident	5 Å²	5	55.1 Å²	55.1	2%	0.022	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.4	-178.1	-66.5	-96.8	0	0	0	110	V90 I91 V111 F129 V132 A133 F136 L140	V90-F142 WeakPolarHBondContact CA-O 3.12Å; V90-F142 HydrophobicContact CG2-CB 4.12Å; I91-F142 PolarHBondContact N-O 3.24Å; V111-F142 HydrophobicContact CB-CD1 3.92Å; V111-F142 HydrophobicContact CB-CE1 4.07Å; V111-F142 HydrophobicContact CG1-CD1 4.45Å; V111-F142 HydrophobicContact CG1-CE1 4.43Å; V111-F142 HydrophobicContact CG2-CD1 4.26Å; V111-F142 HydrophobicContact CG2-CE1 4Å; V111-F142 HydrophobicContact CG2-CZ 4.38Å; V111-F142 CarbonylContact O-C 3.57Å; V111-F142 WeakPolarHBondContact O-CA 3.48Å; F129-F142 HydrophobicContact CD2-CD1 4.28Å; F129-F142 HydrophobicContact CE1-CB 3.99Å; F129-F142 HydrophobicContact CE1-CD1 4.2Å; F129-F142 AromaticContact CE2-CD1 3.68Å; F129-F142 HydrophobicContact CE2-CD1 3.68Å; F129-F142 HydrophobicContact CE2-CE1 4.34Å; F129-F142 HydrophobicContact CZ-CB 3.97Å; F129-F142 AromaticContact CZ-CD1 3.66Å; F129-F142 HydrophobicContact CZ-CD1 3.66Å; F129-F142 HydrophobicContact CZ-CG 4.32Å; V132-F142 HydrophobicContact CB-CE1 4.48Å; V132-F142 HydrophobicContact CG1-CE1 3.7Å; V132-F142 HydrophobicContact CG1-CZ 3.83Å; A133-F142 HydrophobicContact CB-CB 3.64Å; A133-F142 HydrophobicContact CB-CD1 3.84Å; A133-F142 HydrophobicContact CB-CD2 3.56Å; A133-F142 HydrophobicContact CB-CE1 4.41Å; A133-F142 HydrophobicContact CB-CE2 4.16Å; A133-F142 HydrophobicContact CB-CG 3.38Å; F136-F142 HydrophobicContact CB-CE2 4.11Å; F136-F142 HydrophobicContact CB-CZ 4Å; L140-F142 HydrophobicContact CB-CD2 4.19Å; L140-F142 HydrophobicContact CB-CE2 3.48Å; L140-F142 VanDerWaalsContact CB-CE2 3.48Å; L140-F142 HydrophobicContact CB-CZ 3.84Å; L140-F142 HydrophobicContact CD1-CE2 4.3Å; L140-F142 HydrophobicContact CD1-CZ 3.83Å
143	V	90.5	Very high	79.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.9	-176	-178.4	0	0	0	0	109.8	I91 I93 L99 I102 V110 V111 L112 L113 V141	I91-V143 HydrophobicContact CB-CG2 4.35Å; I91-V143 CarbonylContact O-C 3.16Å; I91-V143 WeakPolarHBondContact O-CA 3.08Å; I91-V143 WeakPolarHBondContact O-CG1 3.43Å; I93-V143 HydrophobicContact CB-CG1 4.38Å; I93-V143 HydrophobicContact CD1-CG1 3.74Å; I93-V143 HydrophobicContact CG1-CG1 3.79Å; I93-V143 HydrophobicContact CG2-CG1 3.71Å; L99-V143 HydrophobicContact CD1-CG1 4.25Å; I102-V143 HydrophobicContact CD1-CG1 4.48Å; I102-V143 HydrophobicContact CD1-CG2 4.21Å; I102-V143 HydrophobicContact CG2-CG2 3.91Å; V110-V143 HydrophobicContact CG1-CB 4.16Å; V110-V143 HydrophobicContact CG1-CG2 3.52Å; V111-V143 PolarHBondContact O-N 2.96Å; L112-V143 CarbonylContact C-O 3.45Å; L112-V143 WeakPolarHBondContact CA-O 3.38Å; L112-V143 HydrophobicContact CD1-CB 4.03Å; L112-V143 HydrophobicContact CD1-CG1 3.72Å; L113-V143 PolarHBondContact N-O 2.78Å; V141-V143 HydrophobicContact CG1-CG2 4.21Å
144	G	90.3	Very high	78.9	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.5	174.8	0	0	0	0	0	111.6	I91 Y92 I93 L113	I91-G144 PolarHBondContact O-N 2.87Å; Y92-G144 WeakPolarHBondContact CA-O 3.43Å; Y92-G144 VanDerWaalsContact CD2-O 3.29Å; Y92-G144 WeakPolarHBondContact CD2-O 3.36Å; I93-G144 WeakPolarHBondContact CG1-O 3.5Å; I93-G144 PolarHBondContact N-O 3.41Å; L113-G144 CarbonylContact O-C 3.45Å; L113-G144 WeakPolarHBondContact O-CA 3.23Å
145	A	88.1	Confident	78.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.2	176.8	0	0	0	0	0	111	I93 L112 L113 I114 Y115 Y147 I155	I93-A145 HydrophobicContact CD1-CB 4.11Å; I93-A145 HydrophobicContact CG1-CB 3.82Å; L112-A145 HydrophobicContact CD1-CB 3.94Å; L113-A145 PolarHBondContact O-N 2.89Å; I114-A145 WeakPolarHBondContact CA-O 3.46Å; I114-A145 HydrophobicContact CG1-CB 4.4Å; Y115-A145 WeakPolarHBondContact CD1-O 3.49Å; Y115-A145 PolarHBondContact N-O 3.36Å; A145-Y147 PolarHBondContact O-N 3.23Å; A145-I155 HydrophobicContact CB-CD1 3.63Å; A145-I155 HydrophobicContact CB-CG2 4.47Å
146	D	83.7	Confident	78.5	Confident	12 Å²	12	47.6 Å²	47.6	6%	0.064	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	118.3	170.8	-176.3	-15.5	0	0	0	109.7	Y92 Y115 P117 S148 I149 N152	Y92-D146 HydrophobicContact CE2-CB 3.88Å; Y92-D146 WeakPolarHBondContact OH-CB 3.26Å; Y115-D146 HydrophobicContact CE2-CB 4.29Å; Y115-D146 CarbonylContact O-C 3.53Å; Y115-D146 WeakPolarHBondContact O-CA 3.47Å; P117-D146 WeakPolarHBondContact CD-OD1 3.04Å; P117-D146 WeakPolarHBondContact CG-OD2 3.24Å; D146-S148 VanDerWaalsContact C-N 3.33Å; D146-S148 WeakPolarHBondContact OD1-CA 3Å; D146-S148 VanDerWaalsContact OD1-CB 3.29Å; D146-S148 WeakPolarHBondContact OD1-CB 3.15Å; D146-S148 PolarHBondContact OD1-N 3.12Å; D146-S148 PolarHBondContact OD1-OG 2.9Å; D146-S148 PolarHBondContact OD2-OG 3.04Å; D146-I149 HydrophobicContact CB-CD1 4.29Å; D146-I149 HydrophobicContact CB-CG1 4.13Å; D146-I149 HydrophobicContact CB-CG2 4.47Å; D146-I149 WeakPolarHBondContact O-CG1 3.32Å; D146-N152 PolarHBondContact N-ND2 3.12Å; D146-N152 WeakPolarHBondContact O-CB 3.47Å; D146-N152 PolarHBondContact O-ND2 3.39Å
147	Y	82.8	Confident	77.8	Confident	44 Å²	44	46.8 Å²	46.8	17%	0.173	26%	0.256	C	S	.	.	S	Bend	trans	-79.5	-14.9	179.3	-162.2	-97.1	0	0	0	112.9	I114 Y115 I116 A145 K156 T161 I164	I114-Y147 HydrophobicContact CG2-CD2 3.46Å; I114-Y147 VanDerWaalsContact CG2-CD2 3.46Å; I114-Y147 HydrophobicContact CG2-CE2 4.35Å; I114-Y147 HydrophobicContact CG2-CG 4.02Å; Y115-Y147 WeakPolarHBondContact O-CB 3.31Å; Y115-Y147 PolarHBondContact O-N 3.1Å; I116-Y147 HydrophobicContact CD1-CD1 4.43Å; A145-Y147 PolarHBondContact O-N 3.23Å; Y147-K156 HydrophobicContact CD1-CD 4.45Å; Y147-K156 HydrophobicContact CD1-CG 4.44Å; Y147-K156 HydrophobicContact CD2-CG 3.9Å; Y147-K156 HydrophobicContact CE1-CD 4.02Å; Y147-K156 HydrophobicContact CE1-CG 4.06Å; Y147-K156 HydrophobicContact CE2-CB 3.82Å; Y147-K156 HydrophobicContact CE2-CD 4.36Å; Y147-K156 HydrophobicContact CE2-CG 3.5Å; Y147-K156 VanDerWaalsContact CE2-CG 3.5Å; Y147-K156 HydrophobicContact CG-CG 4.38Å; Y147-K156 WeakPolarHBondContact O-CE 3.15Å; Y147-K156 PolarHBondContact O-NZ 2.62Å; Y147-T161 HydrophobicContact CE2-CG2 4.44Å; Y147-T161 WeakPolarHBondContact CE2-OG1 3.48Å; Y147-T161 PolarHBondContact OH-OG1 2.85Å; Y147-I164 HydrophobicContact CD1-CD1 3.18Å; Y147-I164 HydrophobicContact CD2-CD1 3.93Å; Y147-I164 HydrophobicContact CE1-CD1 3.59Å; Y147-I164 HydrophobicContact CE2-CD1 4.24Å; Y147-I164 HydrophobicContact CG-CD1 3.37Å
148	S	74.2	Confident	77.5	Confident	67 Å²	67	45 Å²	45	47%	0.469	25%	0.246	S	C	.	.	S	Bend	trans	-80.9	-22	-177.9	73.2	0	0	0	0	113.6	D146	D146-S148 VanDerWaalsContact C-N 3.33Å; D146-S148 WeakPolarHBondContact OD1-CA 3Å; D146-S148 VanDerWaalsContact OD1-CB 3.29Å; D146-S148 WeakPolarHBondContact OD1-CB 3.15Å; D146-S148 PolarHBondContact OD1-N 3.12Å; D146-S148 PolarHBondContact OD1-OG 2.9Å; D146-S148 PolarHBondContact OD2-OG 3.04Å
149	I	76.1	Confident	77.6	Confident	34 Å²	34	38.4 Å²	38.4	17%	0.174	22%	0.215	C	C	.	.	S	Bend	trans	-84.2	145.1	-176.7	64.3	171.1	0	0	0	112.7	R94 D146 E151 N152	R94-I149 HydrophobicContact CB-CD1 4.01Å; R94-I149 HydrophobicContact CG-CD1 3.67Å; D146-I149 HydrophobicContact CB-CD1 4.29Å; D146-I149 HydrophobicContact CB-CG1 4.13Å; D146-I149 HydrophobicContact CB-CG2 4.47Å; D146-I149 WeakPolarHBondContact O-CG1 3.32Å; I149-E151 VanDerWaalsContact C-N 3.26Å; I149-E151 HydrophobicContact CD1-CB 4.46Å; I149-E151 PolarHBondContact O-N 3.06Å; I149-N152 HydrophobicContact CG1-CB 4Å; I149-N152 PolarHBondContact O-N 2.95Å
150	S	70	Confident	77.1	Confident	85 Å²	85	42.8 Å²	42.8	59%	0.594	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-66.6	-26.8	-178	60.6	0	0	0	0	113.7	N152 E153	S150-N152 PolarHBondContact O-N 3.2Å; S150-E153 WeakPolarHBondContact O-CB 3.26Å; S150-E153 VanDerWaalsContact O-CG 3.22Å; S150-E153 WeakPolarHBondContact O-CG 3.47Å; S150-E153 PolarHBondContact O-N 3.34Å
151	E	73.3	Confident	75.8	Confident	105 Å²	105	41.6 Å²	41.6	49%	0.491	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-71.2	-21	-177.6	-60.1	90.1	140.7	0	0	111.4	R94 I149	R94-E151 HydrophobicContact CB-CB 4.3Å; R94-E151 CarbonylContact O-C 2.99Å; R94-E151 WeakPolarHBondContact O-CB 3.13Å; I149-E151 VanDerWaalsContact C-N 3.26Å; I149-E151 HydrophobicContact CD1-CB 4.46Å; I149-E151 PolarHBondContact O-N 3.06Å
152	N	77.9	Confident	74.5	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-94.3	13.7	174.9	-80.4	-23.8	0	0	0	114.2	I93 R94 S95 D146 I149 S150 G154 I155 K156	I93-N152 PolarHBondContact O-ND2 3.49Å; R94-N152 WeakPolarHBondContact CA-OD1 3.42Å; R94-N152 PolarHBondContact O-OD1 3.33Å; S95-N152 WeakPolarHBondContact CA-OD1 2.81Å; S95-N152 PolarHBondContact N-OD1 3.14Å; D146-N152 PolarHBondContact N-ND2 3.12Å; D146-N152 WeakPolarHBondContact O-CB 3.47Å; D146-N152 PolarHBondContact O-ND2 3.39Å; I149-N152 HydrophobicContact CG1-CB 4Å; I149-N152 PolarHBondContact O-N 2.95Å; S150-N152 PolarHBondContact O-N 3.2Å; N152-G154 PolarHBondContact O-N 2.99Å; N152-G154 VanDerWaalsContact O-N 3.15Å; N152-I155 HydrophobicContact CB-CB 4.35Å; N152-I155 HydrophobicContact CB-CD1 4.07Å; N152-I155 HydrophobicContact CB-CG1 4.31Å; N152-I155 WeakPolarHBondContact O-CA 3.27Å; N152-I155 WeakPolarHBondContact O-CB 3.46Å; N152-I155 PolarHBondContact O-N 2.66Å; N152-I155 WeakPolarHBondContact OD1-CD1 3.41Å; N152-K156 PolarHBondContact O-N 2.94Å; N152-K156 VanDerWaalsContact O-N 3.15Å
153	E	72.3	Confident	73.6	Confident	79 Å²	79	52 Å²	52	37%	0.369	28%	0.282	S	S	.	.	H	α-helix	trans	-50.8	-39	173.2	-81.3	-61.4	139.7	0	0	112.5	S150 I155 K156 H157	S150-E153 WeakPolarHBondContact O-CB 3.26Å; S150-E153 VanDerWaalsContact O-CG 3.22Å; S150-E153 WeakPolarHBondContact O-CG 3.47Å; S150-E153 PolarHBondContact O-N 3.34Å; E153-I155 VanDerWaalsContact C-N 3.25Å; E153-I155 PolarHBondContact O-N 3.01Å; E153-K156 WeakPolarHBondContact O-CB 3.43Å; E153-K156 PolarHBondContact O-N 3.42Å; E153-K156 VanDerWaalsContact O-N 3.08Å; E153-K156 WeakPolarHBondContact OE1-CD 3.48Å; E153-K156 WeakPolarHBondContact OE1-CE 3.35Å; E153-K156 IonicContact OE1-NZ 3.71Å; E153-K156 PolarHBondContact OE1-NZ 3.03Å; E153-H157 PolarHBondContact O-CD2 3.15Å; E153-H157 PolarHBondContact O-N 3.4Å
154	G	71.7	Confident	73	Confident	19 Å²	19	54 Å²	54	20%	0.196	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-33.4	174.7	0	0	0	0	0	113.6	N152 H157 L158	N152-G154 PolarHBondContact O-N 2.99Å; N152-G154 VanDerWaalsContact O-N 3.15Å; G154-H157 PolarHBondContact O-N 3.33Å; G154-L158 VanDerWaalsContact O-CG 3.26Å; G154-L158 WeakPolarHBondContact O-CG 3.09Å; G154-L158 PolarHBondContact O-N 3.12Å
155	I	74.8	Confident	72.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-71.3	-40	175	-58.1	-176.4	0	0	0	110.2	I93 I114 A145 N152 E153 H157 L158 F159	I93-I155 HydrophobicContact CD1-CD1 3.48Å; I93-I155 VanDerWaalsContact CD1-CD1 3.48Å; I93-I155 HydrophobicContact CG1-CD1 3.99Å; I114-I155 HydrophobicContact CD1-CG2 3.85Å; I114-I155 HydrophobicContact CG1-CG2 4.27Å; A145-I155 HydrophobicContact CB-CD1 3.63Å; A145-I155 HydrophobicContact CB-CG2 4.47Å; N152-I155 HydrophobicContact CB-CB 4.35Å; N152-I155 HydrophobicContact CB-CD1 4.07Å; N152-I155 HydrophobicContact CB-CG1 4.31Å; N152-I155 WeakPolarHBondContact O-CA 3.27Å; N152-I155 WeakPolarHBondContact O-CB 3.46Å; N152-I155 PolarHBondContact O-N 2.66Å; N152-I155 WeakPolarHBondContact OD1-CD1 3.41Å; E153-I155 VanDerWaalsContact C-N 3.25Å; E153-I155 PolarHBondContact O-N 3.01Å; I155-H157 VanDerWaalsContact C-N 3.27Å; I155-H157 PolarHBondContact O-N 3Å; I155-L158 PolarHBondContact O-N 3.37Å; I155-F159 HydrophobicContact CG2-CD2 3.76Å; I155-F159 HydrophobicContact CG2-CE2 4.09Å; I155-F159 WeakPolarHBondContact O-CD2 3.15Å; I155-F159 PolarHBondContact O-N 3.15Å; I155-F159 VanDerWaalsContact O-N 3.1Å
156	K	71.4	Confident	72.6	Confident	42 Å²	42	56.5 Å²	56.5	18%	0.183	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-43.2	173.8	-51.8	-172	179.4	164.9	0	111.3	Y147 N152 E153 N160	Y147-K156 HydrophobicContact CD1-CD 4.45Å; Y147-K156 HydrophobicContact CD1-CG 4.44Å; Y147-K156 HydrophobicContact CD2-CG 3.9Å; Y147-K156 HydrophobicContact CE1-CD 4.02Å; Y147-K156 HydrophobicContact CE1-CG 4.06Å; Y147-K156 HydrophobicContact CE2-CB 3.82Å; Y147-K156 HydrophobicContact CE2-CD 4.36Å; Y147-K156 HydrophobicContact CE2-CG 3.5Å; Y147-K156 VanDerWaalsContact CE2-CG 3.5Å; Y147-K156 HydrophobicContact CG-CG 4.38Å; Y147-K156 WeakPolarHBondContact O-CE 3.15Å; Y147-K156 PolarHBondContact O-NZ 2.62Å; N152-K156 PolarHBondContact O-N 2.94Å; N152-K156 VanDerWaalsContact O-N 3.15Å; E153-K156 WeakPolarHBondContact O-CB 3.43Å; E153-K156 PolarHBondContact O-N 3.42Å; E153-K156 VanDerWaalsContact O-N 3.08Å; E153-K156 WeakPolarHBondContact OE1-CD 3.48Å; E153-K156 WeakPolarHBondContact OE1-CE 3.35Å; E153-K156 IonicContact OE1-NZ 3.71Å; E153-K156 PolarHBondContact OE1-NZ 3.03Å; K156-N160 VanDerWaalsContact O-CA 3.23Å; K156-N160 WeakPolarHBondContact O-CA 3.43Å; K156-N160 PolarHBondContact O-N 2.72Å
157	H	65.4	Low	72.7	Confident	103 Å²	103	60.6 Å²	60.6	48%	0.477	33%	0.327	S	S	.	.	H	α-helix	trans	-66.4	-43.1	176.1	-71	-51.5	0	0	0	113.2	E153 G154 I155 F159	E153-H157 PolarHBondContact O-CD2 3.15Å; E153-H157 PolarHBondContact O-N 3.4Å; G154-H157 PolarHBondContact O-N 3.33Å; I155-H157 VanDerWaalsContact C-N 3.27Å; I155-H157 PolarHBondContact O-N 3Å; H157-F159 PolarHBondContact O-N 3.22Å
158	L	66.6	Low	72.7	Confident	41 Å²	41	60.4 Å²	60.4	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-40.9	-178.1	-77.9	171.3	0	0	0	112.8	G154 I155	G154-L158 VanDerWaalsContact O-CG 3.26Å; G154-L158 WeakPolarHBondContact O-CG 3.09Å; G154-L158 PolarHBondContact O-N 3.12Å; I155-L158 PolarHBondContact O-N 3.37Å
159	F	71.5	Confident	73	Confident	55 Å²	55	62.8 Å²	62.8	24%	0.241	33%	0.331	C	S	.	.	H	α-helix	trans	-109.1	-8.1	-172.4	-59.8	-69.6	0	0	0	114.6	L99 L112 I114 I155 H157 T161 L168 L170	L99-F159 HydrophobicContact CD2-CE2 3.61Å; L99-F159 HydrophobicContact CD2-CZ 3.87Å; L112-F159 HydrophobicContact CD2-CD2 4.36Å; L112-F159 HydrophobicContact CD2-CE2 3.56Å; L112-F159 HydrophobicContact CD2-CZ 3.82Å; I114-F159 HydrophobicContact CD1-CB 4.08Å; I114-F159 HydrophobicContact CD1-CD2 3.59Å; I114-F159 HydrophobicContact CD1-CE2 4.27Å; I114-F159 HydrophobicContact CD1-CG 3.98Å; I155-F159 HydrophobicContact CG2-CD2 3.76Å; I155-F159 HydrophobicContact CG2-CE2 4.09Å; I155-F159 WeakPolarHBondContact O-CD2 3.15Å; I155-F159 PolarHBondContact O-N 3.15Å; I155-F159 VanDerWaalsContact O-N 3.1Å; H157-F159 PolarHBondContact O-N 3.22Å; F159-T161 HydrophobicContact CB-CG2 3.53Å; F159-T161 WeakPolarHBondContact O-CA 3.48Å; F159-T161 WeakPolarHBondContact O-CG2 3.37Å; F159-T161 PolarHBondContact O-N 2.99Å; F159-L168 HydrophobicContact CB-CD1 4.48Å; F159-L168 HydrophobicContact CD1-CD1 3.41Å; F159-L168 VanDerWaalsContact CD1-CD1 3.41Å; F159-L168 HydrophobicContact CD2-CD1 4.12Å; F159-L168 HydrophobicContact CE1-CD1 3.5Å; F159-L168 HydrophobicContact CE2-CD1 4.18Å; F159-L168 HydrophobicContact CG-CD1 3.74Å; F159-L168 HydrophobicContact CZ-CD1 3.88Å; F159-L170 HydrophobicContact CE1-CD2 4.39Å; F159-L170 HydrophobicContact CZ-CD2 4.43Å
160	N	61.3	Low	73.1	Confident	134 Å²	134	63.4 Å²	63.4	72%	0.717	33%	0.334	S	S	*	.			trans	30.6	55.8	177.8	-166.2	35.8	0	0	0	113.1	K156 I162	K156-N160 VanDerWaalsContact O-CA 3.23Å; K156-N160 WeakPolarHBondContact O-CA 3.43Å; K156-N160 PolarHBondContact O-N 2.72Å; N160-I162 PolarHBondContact O-N 3.42Å
161	T	56.1	Low	72.3	Confident	19 Å²	19	61.8 Å²	61.8	12%	0.117	32%	0.323	C	S	.	.			trans	-76.1	126.2	-156.7	57.3	0	0	0	0	112.2	I114 Y147 F159 S163 M166	I114-T161 HydrophobicContact CD1-CG2 4.15Å; Y147-T161 HydrophobicContact CE2-CG2 4.44Å; Y147-T161 WeakPolarHBondContact CE2-OG1 3.48Å; Y147-T161 PolarHBondContact OH-OG1 2.85Å; F159-T161 HydrophobicContact CB-CG2 3.53Å; F159-T161 WeakPolarHBondContact O-CA 3.48Å; F159-T161 WeakPolarHBondContact O-CG2 3.37Å; F159-T161 PolarHBondContact O-N 2.99Å; T161-S163 VanDerWaalsContact C-N 3.34Å; T161-M166 VanDerWaalsContact CB-CE 3.44Å; T161-M166 HydrophobicContact CG2-CE 3.46Å; T161-M166 VanDerWaalsContact CG2-CE 3.46Å; T161-M166 HydrophobicContact CG2-SD 3.36Å; T161-M166 WeakPolarHBondContact CG2-SD 3.08Å
162	I	57.7	Low	70.5	Confident	173 Å²	173	64.5 Å²	64.5	89%	0.887	34%	0.34	S	S	*	.	S	Bend	trans	-74.6	-26	176.4	-56.2	171.4	0	0	0	111.4	N160	N160-I162 PolarHBondContact O-N 3.42Å
163	S	69.1	Low	68.7	Low	74 Å²	74	69.8 Å²	69.8	52%	0.517	37%	0.367	S	S	.	.	S	Bend	trans	-142	145.3	-175.7	56.2	0	0	0	0	112.8	T161	T161-S163 VanDerWaalsContact C-N 3.34Å
164	I	78.6	Confident	66.8	Low	42 Å²	42	72.7 Å²	72.7	22%	0.215	39%	0.391	C	S	.	.	S	Bend	trans	-135.9	135.9	177.9	-63.7	175.5	0	0	0	107.7	I116 Y147	I116-I164 HydrophobicContact CB-CG2 4.35Å; I116-I164 HydrophobicContact CD1-CB 4.38Å; I116-I164 HydrophobicContact CD1-CD1 3.67Å; I116-I164 HydrophobicContact CD1-CG2 4.05Å; I116-I164 HydrophobicContact CG1-CD1 4.1Å; I116-I164 HydrophobicContact CG1-CG2 3.96Å; Y147-I164 HydrophobicContact CD1-CD1 3.18Å; Y147-I164 HydrophobicContact CD2-CD1 3.93Å; Y147-I164 HydrophobicContact CE1-CD1 3.59Å; Y147-I164 HydrophobicContact CE2-CD1 4.24Å; Y147-I164 HydrophobicContact CG-CD1 3.37Å
165	P	86.1	Confident	64.7	Low	18 Å²	18	74.7 Å²	74.7	12%	0.117	41%	0.411	C	S	.	.	S	Bend	cis	-70.1	149.5	4.1	29.7	-33.3	0	0	0	112.9	L113 I114 L121 Y125	L113-P165 HydrophobicContact CD1-CB 4.17Å; I114-P165 WeakPolarHBondContact O-CA 3.25Å; L121-P165 HydrophobicContact CD2-CG 4.3Å; L121-P165 HydrophobicContact CG-CG 4.07Å; Y125-P165 HydrophobicContact CD1-CB 4.38Å; Y125-P165 HydrophobicContact CD1-CG 4.08Å; Y125-P165 HydrophobicContact CD2-CG 3.75Å; Y125-P165 HydrophobicContact CE1-CG 4.46Å; Y125-P165 HydrophobicContact CE2-CG 4.16Å; Y125-P165 HydrophobicContact CG-CB 4.19Å; Y125-P165 HydrophobicContact CG-CG 3.69Å
166	M	84	Confident	62.3	Low	38 Å²	38	80.7 Å²	80.7	19%	0.187	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.8	178	-177.5	178.4	-72.3	0	0	110.6	L113 I114 T161 L168	L113-M166 WeakPolarHBondContact CA-O 3.13Å; I114-M166 HydrophobicContact CB-CB 4.31Å; I114-M166 PolarHBondContact N-O 3.05Å; I114-M166 PolarHBondContact O-N 3.08Å; T161-M166 VanDerWaalsContact CB-CE 3.44Å; T161-M166 HydrophobicContact CG2-CE 3.46Å; T161-M166 VanDerWaalsContact CG2-CE 3.46Å; T161-M166 HydrophobicContact CG2-SD 3.36Å; T161-M166 WeakPolarHBondContact CG2-SD 3.08Å; M166-L168 HydrophobicContact CG-CD1 4.49Å; M166-L168 HydrophobicContact CG-CD2 4.45Å; M166-L168 HydrophobicContact CG-CG 4.12Å; M166-L168 HydrophobicContact SD-CD1 4.13Å; M166-L168 HydrophobicContact SD-CD2 4.15Å; M166-L168 HydrophobicContact SD-CG 4.16Å
167	L	86.1	Confident	60.1	Low	99 Å²	99	86 Å²	86	52%	0.518	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.9	175.6	-165.7	82.7	0	0	0	109.4	V111 L112 L113 F129	V111-L167 HydrophobicContact CG1-CD1 4.11Å; V111-L167 HydrophobicContact CG1-CG 4.3Å; L112-L167 CarbonylContact O-C 3.57Å; L112-L167 WeakPolarHBondContact O-CA 3.46Å; L113-L167 HydrophobicContact CB-CD1 4.41Å; L113-L167 HydrophobicContact CD1-CD1 4.34Å; F129-L167 HydrophobicContact CD2-CD1 3.54Å; F129-L167 HydrophobicContact CE2-CD1 3.44Å; F129-L167 VanDerWaalsContact CE2-CD1 3.44Å
168	L	82.7	Confident	58.2	Low	39 Å²	39	84.8 Å²	84.8	20%	0.204	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.7	-179.2	-68.9	162.7	0	0	0	109.9	V111 L112 I114 F159 M166 L170	V111-L168 CarbonylContact C-O 3.59Å; V111-L168 WeakPolarHBondContact CA-O 3.35Å; L112-L168 HydrophobicContact CB-CB 4.21Å; L112-L168 HydrophobicContact CD2-CD1 4.01Å; L112-L168 PolarHBondContact N-O 2.93Å; L112-L168 PolarHBondContact O-N 3.43Å; I114-L168 HydrophobicContact CD1-CD1 3.86Å; F159-L168 HydrophobicContact CB-CD1 4.48Å; F159-L168 HydrophobicContact CD1-CD1 3.41Å; F159-L168 VanDerWaalsContact CD1-CD1 3.41Å; F159-L168 HydrophobicContact CD2-CD1 4.12Å; F159-L168 HydrophobicContact CE1-CD1 3.5Å; F159-L168 HydrophobicContact CE2-CD1 4.18Å; F159-L168 HydrophobicContact CG-CD1 3.74Å; F159-L168 HydrophobicContact CZ-CD1 3.88Å; M166-L168 HydrophobicContact CG-CD1 4.49Å; M166-L168 HydrophobicContact CG-CD2 4.45Å; M166-L168 HydrophobicContact CG-CG 4.12Å; M166-L168 HydrophobicContact SD-CD1 4.13Å; M166-L168 HydrophobicContact SD-CD2 4.15Å; M166-L168 HydrophobicContact SD-CG 4.16Å; L168-L170 HydrophobicContact CB-CD2 4.31Å
169	F	80.8	Confident	56.3	Low	118 Å²	118	87.6 Å²	87.6	52%	0.518	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	102.1	172.1	-162.3	-100.1	0	0	0	109.1	P109 V111 L140 S171	P109-F169 HydrophobicContact CB-CE1 3.82Å; P109-F169 HydrophobicContact CB-CE2 4.19Å; P109-F169 HydrophobicContact CB-CZ 3.56Å; P109-F169 HydrophobicContact CG-CE1 4.22Å; P109-F169 HydrophobicContact CG-CZ 3.99Å; V111-F169 HydrophobicContact CG1-CD2 4.39Å; V111-F169 HydrophobicContact CG2-CD2 3.64Å; V111-F169 HydrophobicContact CG2-CE2 3.69Å; L140-F169 HydrophobicContact CD1-CE2 4.3Å; L140-F169 HydrophobicContact CD2-CE2 3.6Å; L140-F169 HydrophobicContact CD2-CZ 3.66Å; F169-S171 VanDerWaalsContact CD1-CB 3.46Å; F169-S171 WeakPolarHBondContact CD1-OG 3.28Å; F169-S171 WeakPolarHBondContact CE1-OG 3.41Å; F169-S171 PolarHBondContact O-N 3.04Å
170	L	78.5	Confident	54.4	Low	46 Å²	46	93.7 Å²	93.7	24%	0.241	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	81.8	178.8	-49.3	174.4	0	0	0	108	L99 V103 V110 L112 F159 L168	L99-L170 HydrophobicContact CD1-CD1 4.01Å; V103-L170 HydrophobicContact CG2-CD1 3.8Å; V110-L170 HydrophobicContact CB-CB 4.05Å; V110-L170 HydrophobicContact CB-CD1 4.34Å; V110-L170 HydrophobicContact CG1-CD1 4.06Å; V110-L170 PolarHBondContact N-O 3.43Å; V110-L170 WeakPolarHBondContact O-CA 3.37Å; V110-L170 VanDerWaalsContact O-CB 3.27Å; V110-L170 WeakPolarHBondContact O-CB 3.26Å; V110-L170 PolarHBondContact O-N 3.38Å; L112-L170 HydrophobicContact CB-CD1 4.08Å; L112-L170 HydrophobicContact CD2-CD1 4.37Å; F159-L170 HydrophobicContact CE1-CD2 4.39Å; F159-L170 HydrophobicContact CZ-CD2 4.43Å; L168-L170 HydrophobicContact CB-CD2 4.31Å
171	S	51.7	Low	52.9	Low	52 Å²	52	93.6 Å²	93.6	36%	0.364	55%	0.547	S	S	.	.			trans	-116.6	150.3	176.6	77.2	0	0	0	0	112	F169	F169-S171 VanDerWaalsContact CD1-CB 3.46Å; F169-S171 WeakPolarHBondContact CD1-OG 3.28Å; F169-S171 WeakPolarHBondContact CE1-OG 3.41Å; F169-S171 PolarHBondContact O-N 3.04Å
172	L	36.6	Very low	52	Low	161 Å²	161	103.9 Å²	103.9	84%	0.843	58%	0.584	S	S	*	*			trans	88.4	66.7	176.8	-61.1	151.8	0	0	0	116.9
173	L	39.3	Very low	51.2	Low	112 Å²	112	101.5 Å²	101.5	59%	0.586	57%	0.567	S	S	*	*			trans	-133.2	19.6	156.8	-73.9	178.7	0	0	0	114.9	V103	V103-L173 HydrophobicContact CG1-CD1 4.29Å
174	V	32.4	Very low	49.7	Very low	141 Å²	141	102 Å²	102	86%	0.855	58%	0.576	S	S	*	*			trans	-107.9	60.8	165.3	-164.3	0	0	0	0	109.2
175	G	28.9	Very low	48.3	Very low	60 Å²	60	102.2 Å²	102.2	62%	0.619	57%	0.574	S	S	*	*			trans	-126.5	95.4	176	0	0	0	0	0	108.9
176	T	24	Very low	46.5	Very low	128 Å²	128	106.3 Å²	106.3	79%	0.785	60%	0.603	S	S	*	*			trans	30.8	124	153.6	53.4	0	0	0	0	117.3	S178	T176-S178 PolarHBondContact O-N 3.11Å
177	T	25.2	Very low	44.9	Very low	153 Å²	153	112.2 Å²	112.2	94%	0.939	63%	0.63	S	S	*	*			trans	-58.7	71	154.7	54.7	0	0	0	0	109.6	A179	T177-A179 VanDerWaalsContact C-N 3.34Å; T177-A179 PolarHBondContact O-N 2.97Å
178	S	25	Very low	43.9	Very low	77 Å²	77	109 Å²	109	54%	0.538	62%	0.615	S	S	.	*			trans	-73	104.6	153.9	-174.3	0	0	0	0	103.1	T176 K180	T176-S178 PolarHBondContact O-N 3.11Å; S178-K180 PolarHBondContact O-N 3.36Å
179	A	27.9	Very low	43.6	Very low	101 Å²	101	109.7 Å²	109.7	84%	0.835	62%	0.619	S	S	*	*			trans	-56	80.4	161.6	0	0	0	0	0	107.4	T177 T181	T177-A179 VanDerWaalsContact C-N 3.34Å; T177-A179 PolarHBondContact O-N 2.97Å; A179-T181 PolarHBondContact O-N 3.42Å; A179-T181 VanDerWaalsContact O-N 3.16Å
180	K	30.7	Very low	44.1	Very low	182 Å²	182	104.5 Å²	104.5	79%	0.791	60%	0.596	S	S	*	*			trans	-72.1	112	169.3	-85	-174.5	177.8	174.6	0	105.3	S178 R182	S178-K180 PolarHBondContact O-N 3.36Å; K180-R182 PolarHBondContact O-N 3.32Å
181	T	28.8	Very low	44.7	Very low	133 Å²	133	105.7 Å²	105.7	82%	0.816	61%	0.605	S	S	*	*			trans	-20.6	126	168.9	-31.6	0	0	0	0	112.4	A179 K183	A179-T181 PolarHBondContact O-N 3.42Å; A179-T181 VanDerWaalsContact O-N 3.16Å; T181-K183 PolarHBondContact O-N 3.35Å
182	R	37.9	Very low	46.6	Very low	234 Å²	234	106.5 Å²	106.5	88%	0.883	61%	0.605	S	S	*	*			trans	-27.8	113.1	166.6	-64.3	174.4	-173.4	173.8	1.4	110	K180 A184	K180-R182 PolarHBondContact O-N 3.32Å; R182-A184 PolarHBondContact O-N 3.36Å
183	K	41.5	Very low	49.2	Very low	124 Å²	124	99 Å²	99	54%	0.539	57%	0.567	S	S	.	*			trans	-63.7	95.4	159.5	-87.3	-174.5	172.6	-174.7	0	105.8	T181 Y185 E229	T181-K183 PolarHBondContact O-N 3.35Å; K183-Y185 HydrophobicContact CB-CE1 4.42Å; K183-Y185 HydrophobicContact CB-CE2 3.93Å; K183-Y185 HydrophobicContact CD-CE1 4.33Å; K183-Y185 WeakPolarHBondContact CD-OH 3.39Å; K183-Y185 VanDerWaalsContact O-CD2 3.31Å; K183-Y185 WeakPolarHBondContact O-CD2 3.35Å; K183-Y185 PolarHBondContact O-N 2.7Å; K183-Y185 VanDerWaalsContact O-N 3.15Å; K183-E229 IonicContact NZ-OE1 2.97Å; K183-E229 PolarHBondContact NZ-OE1 3.47Å; K183-E229 IonicContact NZ-OE2 3.5Å; K183-E229 PolarHBondContact NZ-OE2 3.2Å
184	A	37.5	Very low	51.4	Low	84 Å²	84	98.9 Å²	98.9	69%	0.694	56%	0.564	S	S	*	*			trans	-75.1	101	174.5	0	0	0	0	0	107.4	R182 S186	R182-A184 PolarHBondContact O-N 3.36Å; A184-S186 PolarHBondContact O-N 3.41Å
185	Y	49.9	Very low	54	Low	47 Å²	47	94 Å²	94	18%	0.184	54%	0.536	C	S	.	.			trans	-73.1	37.2	178.1	-68.5	-70.3	0	0	0	113.4	K183 Q187 T188 L190 N192 E229	K183-Y185 HydrophobicContact CB-CE1 4.42Å; K183-Y185 HydrophobicContact CB-CE2 3.93Å; K183-Y185 HydrophobicContact CD-CE1 4.33Å; K183-Y185 WeakPolarHBondContact CD-OH 3.39Å; K183-Y185 VanDerWaalsContact O-CD2 3.31Å; K183-Y185 WeakPolarHBondContact O-CD2 3.35Å; K183-Y185 PolarHBondContact O-N 2.7Å; K183-Y185 VanDerWaalsContact O-N 3.15Å; Y185-Q187 PolarHBondContact O-N 2.73Å; Y185-T188 WeakPolarHBondContact CB-OG1 3.48Å; Y185-T188 PolarHBondContact O-N 3.45Å; Y185-T188 PolarHBondContact O-OG1 2.78Å; Y185-L190 WeakPolarHBondContact CB-O 3.49Å; Y185-L190 HydrophobicContact CD1-CB 4.33Å; Y185-L190 HydrophobicContact CD1-CD2 3.6Å; Y185-L190 HydrophobicContact CD1-CG 4.25Å; Y185-L190 HydrophobicContact CD2-CD2 4.33Å; Y185-L190 HydrophobicContact CD2-CG 4.44Å; Y185-L190 HydrophobicContact CE1-CD2 3.42Å; Y185-L190 VanDerWaalsContact CE1-CD2 3.42Å; Y185-L190 HydrophobicContact CE1-CG 4.43Å; Y185-L190 HydrophobicContact CE2-CD2 4.19Å; Y185-L190 HydrophobicContact CG-CB 4.31Å; Y185-L190 HydrophobicContact CG-CD2 4.05Å; Y185-L190 HydrophobicContact CG-CG 4.25Å; Y185-N192 WeakPolarHBondContact CD2-ND2 3.43Å; Y185-N192 VanDerWaalsContact CD2-OD1 3.25Å; Y185-N192 WeakPolarHBondContact CD2-OD1 3.27Å; Y185-N192 WeakPolarHBondContact CE2-OD1 3.18Å; Y185-E229 HydrophobicContact CE1-CG 4.18Å; Y185-E229 VanDerWaalsContact CE1-OE1 3.26Å; Y185-E229 WeakPolarHBondContact CE1-OE1 3.46Å; Y185-E229 PolarHBondContact OH-OE1 2.79Å
186	S	47.1	Very low	56.9	Low	104 Å²	104	95.7 Å²	95.7	73%	0.727	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.2	-172.3	81.5	0	0	0	0	113.8	A184	A184-S186 PolarHBondContact O-N 3.41Å
187	Q	50.3	Low	60.1	Low	161 Å²	161	96.6 Å²	96.6	75%	0.752	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-4.3	-177.6	-65	-169	-7.5	0	0	114.7	Y185 K236	Y185-Q187 PolarHBondContact O-N 2.73Å; Q187-K236 VanDerWaalsContact C-NZ 3.33Å; Q187-K236 VanDerWaalsContact O-CD 3.23Å; Q187-K236 WeakPolarHBondContact O-CD 3.37Å; Q187-K236 PolarHBondContact O-NZ 2.84Å
188	T	65.8	Low	63.2	Low	33 Å²	33	93.3 Å²	93.3	20%	0.202	49%	0.491	C	S	.	.	S	Bend	trans	-121	164.1	-175.1	48.9	0	0	0	0	112.3	Y185 L190 A233	Y185-T188 WeakPolarHBondContact CB-OG1 3.48Å; Y185-T188 PolarHBondContact O-N 3.45Å; Y185-T188 PolarHBondContact O-OG1 2.78Å; T188-L190 PolarHBondContact O-N 2.98Å; T188-L190 VanDerWaalsContact O-N 3.17Å; T188-L190 WeakPolarHBondContact OG1-CB 3.46Å; T188-A233 HydrophobicContact CG2-CB 4.13Å
189	N	76.3	Confident	66.5	Low	52 Å²	52	89.9 Å²	89.9	28%	0.278	47%	0.467	S	S	.	.	S	Bend	trans	-78.7	18.7	168.7	-70.2	-2.7	0	0	0	112	S232 F244	N189-S232 PolarHBondContact N-OG 2.69Å; N189-F244 HydrophobicContact CB-CD2 4.43Å; N189-F244 PolarHBondContact O-N 2.98Å; N189-F244 VanDerWaalsContact O-N 3.09Å
190	L	90.2	Very high	69.6	Low	10 Å²	10	88.8 Å²	88.8	5%	0.052	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.3	-176.6	-173.4	60.4	0	0	0	110.4	Y185 T188 Y228 E229 S232 F244 A246	Y185-L190 WeakPolarHBondContact CB-O 3.49Å; Y185-L190 HydrophobicContact CD1-CB 4.33Å; Y185-L190 HydrophobicContact CD1-CD2 3.6Å; Y185-L190 HydrophobicContact CD1-CG 4.25Å; Y185-L190 HydrophobicContact CD2-CD2 4.33Å; Y185-L190 HydrophobicContact CD2-CG 4.44Å; Y185-L190 HydrophobicContact CE1-CD2 3.42Å; Y185-L190 VanDerWaalsContact CE1-CD2 3.42Å; Y185-L190 HydrophobicContact CE1-CG 4.43Å; Y185-L190 HydrophobicContact CE2-CD2 4.19Å; Y185-L190 HydrophobicContact CG-CB 4.31Å; Y185-L190 HydrophobicContact CG-CD2 4.05Å; Y185-L190 HydrophobicContact CG-CG 4.25Å; T188-L190 PolarHBondContact O-N 2.98Å; T188-L190 VanDerWaalsContact O-N 3.17Å; T188-L190 WeakPolarHBondContact OG1-CB 3.46Å; L190-Y228 HydrophobicContact CD1-CD1 3.98Å; L190-Y228 HydrophobicContact CD1-CE1 3.5Å; L190-E229 HydrophobicContact CD2-CG 3.82Å; L190-S232 PolarHBondContact N-OG 3.21Å; L190-F244 CarbonylContact C-O 3.56Å; L190-F244 VanDerWaalsContact CA-O 3.27Å; L190-F244 WeakPolarHBondContact CA-O 3.39Å; L190-F244 HydrophobicContact CB-CB 4.48Å; L190-F244 HydrophobicContact CD1-CB 3.74Å; L190-A246 HydrophobicContact CD1-CB 3.92Å; L190-A246 HydrophobicContact CG-CB 4.46Å
191	V	91.8	Very high	72.5	Confident	71 Å²	71	86.8 Å²	86.8	43%	0.43	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.7	179.1	179.7	0	0	0	0	109	I243 F244 A245 A246	V191-I243 HydrophobicContact CB-CG2 4.37Å; V191-I243 HydrophobicContact CG2-CG2 3.93Å; V191-F244 PolarHBondContact N-O 2.9Å; V191-A245 CarbonylContact O-C 3.5Å; V191-A245 WeakPolarHBondContact O-CA 3.45Å; V191-A246 PolarHBondContact O-N 2.81Å
192	N	90.9	Very high	75.6	Confident	68 Å²	68	81.8 Å²	81.8	36%	0.364	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.3	170.2	-68.8	-20	0	0	0	109.6	Y185	Y185-N192 WeakPolarHBondContact CD2-ND2 3.43Å; Y185-N192 VanDerWaalsContact CD2-OD1 3.25Å; Y185-N192 WeakPolarHBondContact CD2-OD1 3.27Å; Y185-N192 WeakPolarHBondContact CE2-OD1 3.18Å
193	V	91.7	Very high	78.2	Confident	5 Å²	5	72 Å²	72	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.7	177.7	-173.7	0	0	0	0	108.4	E198 F199 M202 A245 A246 A247 W252	V193-E198 HydrophobicContact CG1-CB 3.97Å; V193-F199 HydrophobicContact CG1-CB 3.73Å; V193-M202 HydrophobicContact CG2-CE 4.02Å; V193-M202 HydrophobicContact CG2-SD 4.3Å; V193-A245 HydrophobicContact CG2-CB 3.77Å; V193-A246 PolarHBondContact N-O 2.88Å; V193-A247 HydrophobicContact CB-CB 4.29Å; V193-W252 HydrophobicContact CB-CZ2 4.46Å; V193-W252 HydrophobicContact CG1-CZ2 3.72Å; V193-W252 PolarHBondContact O-NE1 3.32Å
194	M	86.8	Confident	80.5	Confident	108 Å²	108	74.5 Å²	74.5	53%	0.532	38%	0.379	S	S	.	.			trans	-100.3	-4.7	-170.1	-58.3	-174.8	66.6	0	0	113.1	E198 W252	M194-E198 PolarHBondContact N-OE2 3.38Å; M194-W252 VanDerWaalsContact C-CD1 3.43Å; M194-W252 VanDerWaalsContact C-NE1 3.28Å; M194-W252 VanDerWaalsContact O-CD1 3.29Å
195	S	86.2	Confident	82.9	Confident	38 Å²	38	72.1 Å²	72.1	27%	0.266	36%	0.362	S	S	.	.	S	Bend	trans	-155.7	160.2	176.4	69	0	0	0	0	112.9	F197 E198 F199	S195-F197 PolarHBondContact O-N 3.49Å; S195-E198 PolarHBondContact O-N 3.18Å; S195-E198 VanDerWaalsContact O-N 3.16Å; S195-E198 PolarHBondContact OG-N 2.95Å; S195-F199 PolarHBondContact O-N 3.37Å
196	R	90.3	Very high	84.7	Confident	97 Å²	97	73.5 Å²	73.5	37%	0.366	38%	0.379	S	S	.	.	H	α-helix	trans	-54.4	-38.1	171.1	-172.4	-171.4	-179.4	134.1	-4.4	112.8	F199 E200 W252 T256	R196-F199 WeakPolarHBondContact O-CB 3.47Å; R196-F199 PolarHBondContact O-N 3.39Å; R196-E200 HydrophobicContact CG-CG 4.32Å; R196-E200 IonicContact CZ-OE1 3.5Å; R196-E200 IonicContact NE-OE1 2.75Å; R196-E200 PolarHBondContact NE-OE1 3.06Å; R196-E200 IonicContact NH2-OE1 3.34Å; R196-E200 PolarHBondContact NH2-OE1 3Å; R196-E200 WeakPolarHBondContact O-CB 3.19Å; R196-E200 WeakPolarHBondContact O-CG 3.33Å; R196-E200 PolarHBondContact O-N 2.76Å; R196-W252 HydrophobicContact CB-CE3 4.03Å; R196-W252 HydrophobicContact CB-CH2 4.49Å; R196-W252 HydrophobicContact CB-CZ3 3.71Å; R196-W252 HydrophobicContact CG-CZ3 4.3Å; R196-T256 WeakPolarHBondContact CB-O 3.3Å; R196-T256 VanDerWaalsContact CD-O 3.23Å; R196-T256 WeakPolarHBondContact CD-O 3.42Å
197	F	90.4	Very high	86.8	Confident	147 Å²	147	72.2 Å²	72.2	65%	0.645	36%	0.364	S	S	*	.	H	α-helix	trans	-63.9	-42.6	179.8	176.3	-97.1	0	0	0	111.8	S195 K201	S195-F197 PolarHBondContact O-N 3.49Å; F197-K201 HydrophobicContact CE1-CD 4.43Å; F197-K201 VanDerWaalsContact O-CB 3.23Å; F197-K201 WeakPolarHBondContact O-CB 3.46Å; F197-K201 PolarHBondContact O-N 3.13Å
198	E	91.2	Very high	88.9	Confident	84 Å²	84	65.3 Å²	65.3	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-42.2	175.6	-71.3	174.2	174.9	0	0	111.6	V193 M194 S195 K201 M202	V193-E198 HydrophobicContact CG1-CB 3.97Å; M194-E198 PolarHBondContact N-OE2 3.38Å; S195-E198 PolarHBondContact O-N 3.18Å; S195-E198 VanDerWaalsContact O-N 3.16Å; S195-E198 PolarHBondContact OG-N 2.95Å; E198-K201 PolarHBondContact O-N 3.33Å; E198-M202 WeakPolarHBondContact O-CB 3.41Å; E198-M202 PolarHBondContact O-N 3.06Å
199	F	93.4	Very high	90.3	Very high	5 Å²	5	63.8 Å²	63.8	2%	0.022	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-55.4	174.3	178.7	-117.4	0	0	0	111.6	V193 S195 R196 K201 M202 L203 T211 F213 W252 P258 F260 L278	V193-F199 HydrophobicContact CG1-CB 3.73Å; S195-F199 PolarHBondContact O-N 3.37Å; R196-F199 WeakPolarHBondContact O-CB 3.47Å; R196-F199 PolarHBondContact O-N 3.39Å; F199-K201 VanDerWaalsContact C-N 3.3Å; F199-K201 PolarHBondContact O-N 3.16Å; F199-M202 HydrophobicContact CD2-CE 3.78Å; F199-M202 HydrophobicContact CE2-CE 4.3Å; F199-M202 WeakPolarHBondContact O-CB 3.36Å; F199-M202 PolarHBondContact O-N 3.21Å; F199-M202 VanDerWaalsContact O-N 3.15Å; F199-L203 HydrophobicContact CD1-CD1 4.1Å; F199-L203 HydrophobicContact CD2-CD1 4.49Å; F199-L203 HydrophobicContact CD2-CG 4.44Å; F199-L203 HydrophobicContact CE1-CD1 3.58Å; F199-L203 HydrophobicContact CE1-CG 4.49Å; F199-L203 HydrophobicContact CE2-CD1 4.01Å; F199-L203 HydrophobicContact CE2-CD2 4.07Å; F199-L203 HydrophobicContact CE2-CG 4.13Å; F199-L203 HydrophobicContact CZ-CD1 3.54Å; F199-L203 HydrophobicContact CZ-CD2 4.27Å; F199-L203 HydrophobicContact CZ-CG 4.18Å; F199-L203 WeakPolarHBondContact O-CG 3.3Å; F199-L203 PolarHBondContact O-N 3.4Å; F199-T211 HydrophobicContact CD2-CG2 4.12Å; F199-T211 HydrophobicContact CE2-CG2 3.82Å; F199-F213 HydrophobicContact CD2-CZ 4.3Å; F199-F213 HydrophobicContact CE1-CZ 4.12Å; F199-F213 HydrophobicContact CE2-CE2 4.44Å; F199-F213 AromaticContact CE2-CZ 3.81Å; F199-F213 HydrophobicContact CE2-CZ 3.81Å; F199-F213 HydrophobicContact CZ-CE2 4.33Å; F199-F213 AromaticContact CZ-CZ 3.69Å; F199-F213 HydrophobicContact CZ-CZ 3.69Å; F199-W252 HydrophobicContact CB-CH2 3.61Å; F199-W252 HydrophobicContact CB-CZ2 4.13Å; F199-W252 HydrophobicContact CD1-CH2 4.33Å; F199-W252 HydrophobicContact CG-CH2 4.02Å; F199-P258 HydrophobicContact CE1-CG 4.44Å; F199-F260 AromaticContact CE1-CZ 3.98Å; F199-F260 HydrophobicContact CE1-CZ 3.98Å; F199-F260 HydrophobicContact CZ-CZ 4.16Å; F199-L278 HydrophobicContact CZ-CD2 4.11Å
200	E	93.3	Very high	91.3	Very high	77 Å²	77	61.3 Å²	61.3	36%	0.36	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-34.1	-179.7	-71.7	178.5	177	0	0	112.7	R196 K204	R196-E200 HydrophobicContact CG-CG 4.32Å; R196-E200 IonicContact CZ-OE1 3.5Å; R196-E200 IonicContact NE-OE1 2.75Å; R196-E200 PolarHBondContact NE-OE1 3.06Å; R196-E200 IonicContact NH2-OE1 3.34Å; R196-E200 PolarHBondContact NH2-OE1 3Å; R196-E200 WeakPolarHBondContact O-CB 3.19Å; R196-E200 WeakPolarHBondContact O-CG 3.33Å; R196-E200 PolarHBondContact O-N 2.76Å; E200-K204 WeakPolarHBondContact O-CG 3.49Å; E200-K204 PolarHBondContact O-N 3.35Å
201	K	92.1	Very high	91.6	Very high	141 Å²	141	60.9 Å²	60.9	61%	0.613	31%	0.308	S	S	*	.	H	α-helix	trans	-65.5	-42.9	174.4	-178.4	-177.8	176.1	-173.7	0	111.2	F197 E198 F199 K204	F197-K201 HydrophobicContact CE1-CD 4.43Å; F197-K201 VanDerWaalsContact O-CB 3.23Å; F197-K201 WeakPolarHBondContact O-CB 3.46Å; F197-K201 PolarHBondContact O-N 3.13Å; E198-K201 PolarHBondContact O-N 3.33Å; F199-K201 VanDerWaalsContact C-N 3.3Å; F199-K201 PolarHBondContact O-N 3.16Å; K201-K204 PolarHBondContact O-N 2.92Å
202	M	92.4	Very high	91.8	Very high	28 Å²	28	57.5 Å²	57.5	14%	0.138	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-43.1	178.5	177.1	-174.7	57.1	0	0	111.5	V193 E198 F199 K204 G205 V209 I243 A245	V193-M202 HydrophobicContact CG2-CE 4.02Å; V193-M202 HydrophobicContact CG2-SD 4.3Å; E198-M202 WeakPolarHBondContact O-CB 3.41Å; E198-M202 PolarHBondContact O-N 3.06Å; F199-M202 HydrophobicContact CD2-CE 3.78Å; F199-M202 HydrophobicContact CE2-CE 4.3Å; F199-M202 WeakPolarHBondContact O-CB 3.36Å; F199-M202 PolarHBondContact O-N 3.21Å; F199-M202 VanDerWaalsContact O-N 3.15Å; M202-K204 PolarHBondContact O-N 2.75Å; M202-K204 VanDerWaalsContact O-N 3.15Å; M202-G205 PolarHBondContact O-N 3.48Å; M202-V209 HydrophobicContact CE-CG1 3.49Å; M202-V209 VanDerWaalsContact CE-CG1 3.49Å; M202-V209 HydrophobicContact CG-CG1 4.29Å; M202-V209 HydrophobicContact CG-CG2 4.09Å; M202-V209 HydrophobicContact SD-CG1 3.65Å; M202-V209 HydrophobicContact SD-CG2 4.47Å; M202-I243 HydrophobicContact CG-CD1 4.38Å; M202-I243 HydrophobicContact SD-CG2 3.9Å; M202-A245 HydrophobicContact CE-CB 3.58Å; M202-A245 HydrophobicContact SD-CB 3.71Å
203	L	92.5	Very high	91.8	Very high	27 Å²	27	54.2 Å²	54.2	14%	0.141	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-17.5	178.2	-63.2	178.8	0	0	0	114.2	F199 G205 V209 H270 L278	F199-L203 HydrophobicContact CD1-CD1 4.1Å; F199-L203 HydrophobicContact CD2-CD1 4.49Å; F199-L203 HydrophobicContact CD2-CG 4.44Å; F199-L203 HydrophobicContact CE1-CD1 3.58Å; F199-L203 HydrophobicContact CE1-CG 4.49Å; F199-L203 HydrophobicContact CE2-CD1 4.01Å; F199-L203 HydrophobicContact CE2-CD2 4.07Å; F199-L203 HydrophobicContact CE2-CG 4.13Å; F199-L203 HydrophobicContact CZ-CD1 3.54Å; F199-L203 HydrophobicContact CZ-CD2 4.27Å; F199-L203 HydrophobicContact CZ-CG 4.18Å; F199-L203 WeakPolarHBondContact O-CG 3.3Å; F199-L203 PolarHBondContact O-N 3.4Å; L203-G205 PolarHBondContact O-N 3.49Å; L203-V209 HydrophobicContact CD2-CB 4.35Å; L203-H270 HydrophobicContact CD2-CB 3.72Å; L203-H270 PolarHBondContact O-NE2 2.93Å; L203-L278 HydrophobicContact CD1-CD1 4.49Å; L203-L278 HydrophobicContact CD1-CD2 3.78Å; L203-L278 HydrophobicContact CD2-CD2 4.18Å
204	K	90.2	Very high	91.6	Very high	178 Å²	178	55 Å²	55	77%	0.774	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.7	173.8	-68.9	171.6	-175	178.5	0	113	E200 K201 M202	E200-K204 WeakPolarHBondContact O-CG 3.49Å; E200-K204 PolarHBondContact O-N 3.35Å; K201-K204 PolarHBondContact O-N 2.92Å; M202-K204 PolarHBondContact O-N 2.75Å; M202-K204 VanDerWaalsContact O-N 3.15Å
205	G	88.4	Confident	91.5	Very high	33 Å²	33	51.6 Å²	51.6	34%	0.34	26%	0.257	S	S	.	.	S	Bend	trans	-68.6	169.2	173.9	0	0	0	0	0	112.8	M202 L203 S272	M202-G205 PolarHBondContact O-N 3.48Å; L203-G205 PolarHBondContact O-N 3.49Å; G205-S272 PolarHBondContact O-OG 2.88Å
206	S	87.3	Confident	91.2	Very high	76 Å²	76	56.6 Å²	56.6	53%	0.531	28%	0.276	S	S	.	.	S	Bend	trans	-83.8	-24.4	174	50.1	0	0	0	0	113.2	I273	S206-I273 VanDerWaalsContact O-CD1 3.31Å; S206-I273 WeakPolarHBondContact O-CD1 3.33Å; S206-I273 WeakPolarHBondContact O-CG1 3.36Å
207	D	91.2	Very high	90.3	Very high	78 Å²	78	53.7 Å²	53.7	42%	0.417	28%	0.276	S	S	.	.	S	Bend	trans	-70.4	140.1	-173.7	-61.1	-48.5	0	0	0	111.5	V209 I243	D207-V209 WeakPolarHBondContact O-CG2 3.44Å; D207-V209 PolarHBondContact O-N 3.31Å; D207-I243 HydrophobicContact CB-CD1 3.98Å; D207-I243 HydrophobicContact CB-CG1 4.09Å
208	P	94.2	Very high	89.8	Confident	15 Å²	15	48 Å²	48	10%	0.097	25%	0.254	C	S	.	.			trans	-57.3	134.7	168.1	-23.9	34.1	0	0	0	110.9	G242 I243 F269 H270	P208-G242 CarbonylContact O-C 3.57Å; P208-G242 WeakPolarHBondContact O-CA 3.33Å; P208-I243 PolarHBondContact O-N 3.26Å; P208-F269 HydrophobicContact CB-CE2 3.8Å; P208-F269 HydrophobicContact CB-CZ 3.82Å; P208-H270 CarbonylContact C-O 3.57Å; P208-H270 WeakPolarHBondContact CA-O 3.33Å
209	V	96	Very high	89.3	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.6	-178.6	-172.5	0	0	0	0	109.1	M202 L203 D207 T211 I243 A245 F269 H270	M202-V209 HydrophobicContact CE-CG1 3.49Å; M202-V209 VanDerWaalsContact CE-CG1 3.49Å; M202-V209 HydrophobicContact CG-CG1 4.29Å; M202-V209 HydrophobicContact CG-CG2 4.09Å; M202-V209 HydrophobicContact SD-CG1 3.65Å; M202-V209 HydrophobicContact SD-CG2 4.47Å; L203-V209 HydrophobicContact CD2-CB 4.35Å; D207-V209 WeakPolarHBondContact O-CG2 3.44Å; D207-V209 PolarHBondContact O-N 3.31Å; V209-T211 WeakPolarHBondContact CG1-OG1 2.99Å; V209-I243 WeakPolarHBondContact CA-O 3.44Å; V209-I243 HydrophobicContact CG1-CB 4.43Å; V209-I243 HydrophobicContact CG2-CB 4.33Å; V209-I243 HydrophobicContact CG2-CD1 4.43Å; V209-A245 HydrophobicContact CG1-CB 4.17Å; V209-F269 CarbonylContact O-C 3.6Å; V209-F269 WeakPolarHBondContact O-CA 3.35Å; V209-F269 WeakPolarHBondContact O-CD2 3.47Å; V209-H270 PolarHBondContact N-O 3.29Å; V209-H270 PolarHBondContact O-N 2.85Å
210	L	97.5	Very high	88.6	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.2	162.1	-177	61.5	0	0	0	107.4	Y228 I243 F244 A245 L267 F269 V281 F283 I289 F292 M293	L210-Y228 HydrophobicContact CD2-CE2 3.72Å; L210-Y228 HydrophobicContact CG-CE2 3.89Å; L210-Y228 PolarHBondContact O-OH 2.87Å; L210-I243 PolarHBondContact N-O 3.45Å; L210-F244 HydrophobicContact CD2-CE1 4.38Å; L210-F244 CarbonylContact O-C 3.58Å; L210-A245 PolarHBondContact O-N 2.82Å; L210-L267 HydrophobicContact CD1-CB 4.24Å; L210-L267 HydrophobicContact CD1-CD2 4.24Å; L210-L267 HydrophobicContact CG-CD2 4.26Å; L210-F269 HydrophobicContact CB-CD2 4.41Å; L210-F269 HydrophobicContact CD1-CB 4.26Å; L210-V281 HydrophobicContact CD1-CG2 3.69Å; L210-F283 HydrophobicContact CD1-CE2 4.39Å; L210-F283 HydrophobicContact CD2-CE2 4.28Å; L210-I289 HydrophobicContact CD2-CG2 3.71Å; L210-F292 HydrophobicContact CD1-CE1 4.18Å; L210-F292 HydrophobicContact CD2-CD1 4.4Å; L210-M293 HydrophobicContact CB-CE 4.29Å; L210-M293 HydrophobicContact CB-SD 3.59Å; L210-M293 VanDerWaalsContact CB-SD 3.59Å; L210-M293 HydrophobicContact CD2-CG 4.19Å; L210-M293 HydrophobicContact CD2-SD 4.05Å; L210-M293 HydrophobicContact CG-SD 4.43Å
211	T	96.9	Very high	88.2	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.2	-179.4	-54.6	0	0	0	0	110	F199 V209 F213 A245 A247 L267 I268	F199-T211 HydrophobicContact CD2-CG2 4.12Å; F199-T211 HydrophobicContact CE2-CG2 3.82Å; V209-T211 WeakPolarHBondContact CG1-OG1 2.99Å; T211-F213 HydrophobicContact CG2-CD2 4.16Å; T211-F213 HydrophobicContact CG2-CE1 4.31Å; T211-F213 HydrophobicContact CG2-CE2 3.71Å; T211-F213 HydrophobicContact CG2-CZ 3.81Å; T211-A245 CarbonylContact C-O 3.55Å; T211-A245 WeakPolarHBondContact CA-O 3.18Å; T211-A245 HydrophobicContact CG2-CB 4Å; T211-A247 HydrophobicContact CG2-CB 3.93Å; T211-L267 CarbonylContact O-C 3.5Å; T211-L267 WeakPolarHBondContact O-CA 3.5Å; T211-I268 PolarHBondContact N-O 3.24Å; T211-I268 PolarHBondContact O-N 2.74Å
212	M	95.7	Very high	87.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.2	169.7	-175.6	180	179.8	0	0	109.6	M224 I225 Y228 A245 A247 P265 M266 L267	M212-M224 HydrophobicContact CE-CB 3.59Å; M212-M224 HydrophobicContact CE-CG 3.49Å; M212-M224 VanDerWaalsContact CE-CG 3.49Å; M212-M224 HydrophobicContact SD-CG 4.2Å; M212-I225 HydrophobicContact CE-CB 4.43Å; M212-I225 HydrophobicContact CE-CD1 4.49Å; M212-I225 HydrophobicContact CE-CG1 3.52Å; M212-I225 HydrophobicContact SD-CG1 3.73Å; M212-Y228 HydrophobicContact CB-CD1 4.17Å; M212-Y228 HydrophobicContact CB-CD2 4.36Å; M212-Y228 HydrophobicContact CB-CE1 3.84Å; M212-Y228 HydrophobicContact CB-CE2 4.09Å; M212-Y228 HydrophobicContact CB-CG 4.39Å; M212-Y228 HydrophobicContact SD-CD1 4.08Å; M212-Y228 HydrophobicContact SD-CD2 4.45Å; M212-Y228 HydrophobicContact SD-CG 3.94Å; M212-A245 PolarHBondContact N-O 3.38Å; M212-A247 PolarHBondContact O-N 3.01Å; M212-P265 HydrophobicContact CE-CB 3.55Å; M212-M266 CarbonylContact C-O 3.55Å; M212-M266 WeakPolarHBondContact CA-O 3.2Å; M212-L267 HydrophobicContact CB-CD2 3.7Å; M212-L267 HydrophobicContact CG-CD2 4.08Å
213	F	90.9	Very high	87.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.4	167.3	-64.3	-85	0	0	0	109.3	F199 T211 A247 L249 W252 P258 F260 V261 V264 P265 M266 I268	F199-F213 HydrophobicContact CD2-CZ 4.3Å; F199-F213 HydrophobicContact CE1-CZ 4.12Å; F199-F213 HydrophobicContact CE2-CE2 4.44Å; F199-F213 AromaticContact CE2-CZ 3.81Å; F199-F213 HydrophobicContact CE2-CZ 3.81Å; F199-F213 HydrophobicContact CZ-CE2 4.33Å; F199-F213 AromaticContact CZ-CZ 3.69Å; F199-F213 HydrophobicContact CZ-CZ 3.69Å; T211-F213 HydrophobicContact CG2-CD2 4.16Å; T211-F213 HydrophobicContact CG2-CE1 4.31Å; T211-F213 HydrophobicContact CG2-CE2 3.71Å; T211-F213 HydrophobicContact CG2-CZ 3.81Å; F213-A247 WeakPolarHBondContact CA-O 3.49Å; F213-A247 HydrophobicContact CD1-CB 3.57Å; F213-A247 HydrophobicContact CE1-CB 3.79Å; F213-A247 HydrophobicContact CG-CB 4.27Å; F213-L249 HydrophobicContact CB-CD1 4.42Å; F213-L249 HydrophobicContact CD1-CD2 3.82Å; F213-L249 HydrophobicContact CD1-CG 4.5Å; F213-W252 AromaticContact CE1-CH2 3.97Å; F213-W252 HydrophobicContact CE1-CH2 3.97Å; F213-W252 HydrophobicContact CE1-CZ2 4.43Å; F213-P258 HydrophobicContact CE1-CG 4.46Å; F213-F260 AromaticContact CE2-CE2 3.93Å; F213-F260 HydrophobicContact CE2-CE2 3.93Å; F213-F260 HydrophobicContact CE2-CZ 4.46Å; F213-F260 HydrophobicContact CZ-CE2 4.06Å; F213-F260 HydrophobicContact CZ-CZ 4.22Å; F213-V261 HydrophobicContact CB-CG1 4.17Å; F213-V261 HydrophobicContact CD1-CG2 3.96Å; F213-V261 HydrophobicContact CD2-CG2 4.14Å; F213-V261 HydrophobicContact CE1-CG2 4.06Å; F213-V261 HydrophobicContact CE2-CG2 4.25Å; F213-V261 HydrophobicContact CG-CG1 4.36Å; F213-V261 HydrophobicContact CG-CG2 3.98Å; F213-V261 HydrophobicContact CZ-CG2 4.2Å; F213-V264 HydrophobicContact CB-CG1 4.43Å; F213-V264 WeakPolarHBondContact O-CG1 3.48Å; F213-P265 WeakPolarHBondContact O-CA 3.5Å; F213-M266 HydrophobicContact CB-CB 4.41Å; F213-M266 PolarHBondContact N-O 2.86Å; F213-M266 PolarHBondContact O-N 2.98Å; F213-I268 HydrophobicContact CD2-CG1 4.03Å; F213-I268 HydrophobicContact CE2-CB 4.02Å; F213-I268 HydrophobicContact CE2-CG1 3.68Å
214	Y	87.4	Confident	87.2	Confident	20 Å²	20	52.9 Å²	52.9	8%	0.078	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	169.8	-177.6	77.7	-82.4	0	0	0	112.3	I225 A246 A247 E248 L249	Y214-I225 HydrophobicContact CD1-CD1 4.28Å; Y214-I225 HydrophobicContact CD2-CD1 3.31Å; Y214-I225 HydrophobicContact CD2-CG1 4.38Å; Y214-I225 HydrophobicContact CE1-CD1 4.38Å; Y214-I225 HydrophobicContact CE2-CD1 3.43Å; Y214-I225 VanDerWaalsContact CE2-CD1 3.43Å; Y214-I225 HydrophobicContact CG-CD1 3.75Å; Y214-I225 HydrophobicContact CG-CG1 4.37Å; Y214-A246 HydrophobicContact CE1-CB 3.97Å; Y214-A247 PolarHBondContact N-O 2.86Å; Y214-A247 VanDerWaalsContact N-O 3.07Å; Y214-E248 HydrophobicContact CD2-CG 4.38Å; Y214-E248 HydrophobicContact CE1-CB 3.79Å; Y214-E248 HydrophobicContact CE1-CG 4.3Å; Y214-E248 HydrophobicContact CE2-CB 4.1Å; Y214-E248 HydrophobicContact CE2-CG 3.69Å; Y214-E248 WeakPolarHBondContact OH-CB 3.44Å; Y214-E248 PolarHBondContact OH-OE2 3.34Å; Y214-L249 WeakPolarHBondContact O-CB 3.45Å; Y214-L249 PolarHBondContact O-N 3.1Å
215	L	83.7	Confident	87.2	Confident	38 Å²	38	45.5 Å²	45.5	20%	0.199	25%	0.249	C	C	.	.			trans	-119.8	142.1	172.6	-73.6	168.9	0	0	0	109.8	G217 C218 L249 V264	L215-G217 PolarHBondContact O-N 2.64Å; L215-C218 HydrophobicContact CB-CB 4.09Å; L215-C218 WeakPolarHBondContact O-CB 3.1Å; L215-C218 PolarHBondContact O-N 2.82Å; L215-L249 HydrophobicContact CD2-CB 3.67Å; L215-L249 HydrophobicContact CG-CB 4.34Å; L215-V264 HydrophobicContact CB-CG2 4.41Å; L215-V264 HydrophobicContact CD1-CG2 3.87Å; L215-V264 HydrophobicContact CG-CG2 4.09Å
216	E	81.1	Confident	87.3	Confident	142 Å²	142	50.9 Å²	50.9	66%	0.664	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	134.4	169.7	-172	179.8	-164.9	0	0	110.5	C218	E216-C218 VanDerWaalsContact C-N 3.27Å; E216-C218 PolarHBondContact O-N 3.48Å
217	G	71.7	Confident	87.5	Confident	37 Å²	37	48 Å²	48	38%	0.381	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	8	178.4	0	0	0	0	0	115.3	L215	L215-G217 PolarHBondContact O-N 2.64Å
218	C	78.9	Confident	87.6	Confident	27 Å²	27	44.4 Å²	44.4	18%	0.182	22%	0.224	C	C	.	.			trans	-79	116.1	171.3	156.4	0	0	0	0	109.8	L215 E216 S220 C221 D222	L215-C218 HydrophobicContact CB-CB 4.09Å; L215-C218 WeakPolarHBondContact O-CB 3.1Å; L215-C218 PolarHBondContact O-N 2.82Å; E216-C218 VanDerWaalsContact C-N 3.27Å; E216-C218 PolarHBondContact O-N 3.48Å; C218-S220 PolarHBondContact O-N 3.03Å; C218-C221 HydrophobicContact CB-CB 3.51Å; C218-C221 WeakPolarHBondContact CB-SG 3.23Å; C218-C221 CarbonylContact O-C 3.53Å; C218-C221 WeakPolarHBondContact O-CA 3.22Å; C218-C221 VanDerWaalsContact O-CB 3.23Å; C218-C221 WeakPolarHBondContact O-CB 3.49Å; C218-C221 PolarHBondContact O-N 2.97Å; C218-C221 WeakPolarHBondContact SG-CB 3.34Å; C218-C221 PolarHBondContact SG-N 3.12Å; C218-C221 CovalentContact SG-SG 2.06Å; C218-C221 PolarHBondContact SG-SG 2.94Å; C218-D222 PolarHBondContact O-N 3.01Å
219	Y	81.2	Confident	87.5	Confident	186 Å²	186	45.8 Å²	45.8	73%	0.729	23%	0.229	S	C	*	.	H	α-helix	trans	-54.3	-51	-177	177.8	-98	0	0	0	113.2	C221 D222 E223	Y219-C221 PolarHBondContact O-N 3.39Å; Y219-D222 PolarHBondContact O-N 2.92Å; Y219-D222 VanDerWaalsContact O-N 3.16Å; Y219-E223 PolarHBondContact O-N 2.89Å
220	S	78.3	Confident	87.3	Confident	50 Å²	50	47.5 Å²	47.5	35%	0.35	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-28.5	177.8	-47	0	0	0	0	112.2	C218 M224	C218-S220 PolarHBondContact O-N 3.03Å; S220-M224 WeakPolarHBondContact O-CB 3.46Å; S220-M224 PolarHBondContact O-N 3.18Å
221	C	83.9	Confident	87.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-73.8	-40.8	176.1	-54	0	0	0	0	111.4	C218 Y219 E223 M224 I225	C218-C221 HydrophobicContact CB-CB 3.51Å; C218-C221 WeakPolarHBondContact CB-SG 3.23Å; C218-C221 CarbonylContact O-C 3.53Å; C218-C221 WeakPolarHBondContact O-CA 3.22Å; C218-C221 VanDerWaalsContact O-CB 3.23Å; C218-C221 WeakPolarHBondContact O-CB 3.49Å; C218-C221 PolarHBondContact O-N 2.97Å; C218-C221 WeakPolarHBondContact SG-CB 3.34Å; C218-C221 PolarHBondContact SG-N 3.12Å; C218-C221 CovalentContact SG-SG 2.06Å; C218-C221 PolarHBondContact SG-SG 2.94Å; Y219-C221 PolarHBondContact O-N 3.39Å; C221-E223 VanDerWaalsContact C-N 3.32Å; C221-E223 PolarHBondContact O-N 2.96Å; C221-M224 PolarHBondContact O-N 3.32Å; C221-I225 VanDerWaalsContact O-CB 3.31Å; C221-I225 WeakPolarHBondContact O-CB 3.42Å; C221-I225 WeakPolarHBondContact O-CG1 3.32Å; C221-I225 PolarHBondContact O-N 2.86Å
222	D	84.7	Confident	87	Confident	73 Å²	73	47.5 Å²	47.5	39%	0.39	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-37.2	179.8	-73.1	-17.8	0	0	0	112.2	C218 Y219 K226	C218-D222 PolarHBondContact O-N 3.01Å; Y219-D222 PolarHBondContact O-N 2.92Å; Y219-D222 VanDerWaalsContact O-N 3.16Å; D222-K226 WeakPolarHBondContact O-CG 3.5Å
223	E	84.1	Confident	86.8	Confident	129 Å²	129	49.7 Å²	49.7	60%	0.603	26%	0.262	S	S	*	.	H	α-helix	trans	-65.1	-51.3	172.9	-173.2	175.6	-173.7	0	0	110.9	Y219 C221 I225 K226 A227	Y219-E223 PolarHBondContact O-N 2.89Å; C221-E223 VanDerWaalsContact C-N 3.32Å; C221-E223 PolarHBondContact O-N 2.96Å; E223-I225 PolarHBondContact O-N 3.04Å; E223-K226 PolarHBondContact O-N 3.06Å; E223-A227 PolarHBondContact O-N 3.21Å
224	M	87.5	Confident	86.7	Confident	27 Å²	27	51.1 Å²	51.1	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-35.7	-177.9	-174.2	65.7	-157.7	0	0	113	M212 S220 C221 K226 A227 Y228 P265 L267 I289	M212-M224 HydrophobicContact CE-CB 3.59Å; M212-M224 HydrophobicContact CE-CG 3.49Å; M212-M224 VanDerWaalsContact CE-CG 3.49Å; M212-M224 HydrophobicContact SD-CG 4.2Å; S220-M224 WeakPolarHBondContact O-CB 3.46Å; S220-M224 PolarHBondContact O-N 3.18Å; C221-M224 PolarHBondContact O-N 3.32Å; M224-K226 VanDerWaalsContact C-N 3.29Å; M224-K226 PolarHBondContact O-N 3.37Å; M224-A227 PolarHBondContact O-N 2.97Å; M224-Y228 VanDerWaalsContact O-CB 3.27Å; M224-Y228 WeakPolarHBondContact O-CB 3.15Å; M224-Y228 PolarHBondContact O-N 2.83Å; M224-P265 HydrophobicContact CB-CB 4.11Å; M224-P265 HydrophobicContact CB-CG 3.91Å; M224-P265 HydrophobicContact CG-CB 4.09Å; M224-P265 HydrophobicContact CG-CG 4.17Å; M224-L267 HydrophobicContact CE-CD1 3.34Å; M224-L267 HydrophobicContact CE-CD2 4.42Å; M224-L267 HydrophobicContact CE-CG 4.2Å; M224-I289 HydrophobicContact CE-CD1 3.58Å; M224-I289 HydrophobicContact CE-CG1 4.38Å
225	I	90.9	Very high	86.8	Confident	23 Å²	23	50.2 Å²	50.2	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-38.4	177.1	-78.5	167.6	0	0	0	110.7	M212 Y214 C221 E223 Y228 E229	M212-I225 HydrophobicContact CE-CB 4.43Å; M212-I225 HydrophobicContact CE-CD1 4.49Å; M212-I225 HydrophobicContact CE-CG1 3.52Å; M212-I225 HydrophobicContact SD-CG1 3.73Å; Y214-I225 HydrophobicContact CD1-CD1 4.28Å; Y214-I225 HydrophobicContact CD2-CD1 3.31Å; Y214-I225 HydrophobicContact CD2-CG1 4.38Å; Y214-I225 HydrophobicContact CE1-CD1 4.38Å; Y214-I225 HydrophobicContact CE2-CD1 3.43Å; Y214-I225 VanDerWaalsContact CE2-CD1 3.43Å; Y214-I225 HydrophobicContact CG-CD1 3.75Å; Y214-I225 HydrophobicContact CG-CG1 4.37Å; C221-I225 VanDerWaalsContact O-CB 3.31Å; C221-I225 WeakPolarHBondContact O-CB 3.42Å; C221-I225 WeakPolarHBondContact O-CG1 3.32Å; C221-I225 PolarHBondContact O-N 2.86Å; E223-I225 PolarHBondContact O-N 3.04Å; I225-Y228 PolarHBondContact O-N 3.05Å; I225-E229 HydrophobicContact CG2-CG 4.08Å; I225-E229 WeakPolarHBondContact O-CB 3.17Å; I225-E229 WeakPolarHBondContact O-CG 3.33Å; I225-E229 PolarHBondContact O-N 3.15Å
226	K	90.3	Very high	87.1	Confident	145 Å²	145	52.5 Å²	52.5	63%	0.63	27%	0.274	S	S	*	.	H	α-helix	trans	-62.9	-47.3	178.2	-69.2	168.6	-172.9	171.7	0	111.1	D222 E223 M224 Y228 A230	D222-K226 WeakPolarHBondContact O-CG 3.5Å; E223-K226 PolarHBondContact O-N 3.06Å; M224-K226 VanDerWaalsContact C-N 3.29Å; M224-K226 PolarHBondContact O-N 3.37Å; K226-Y228 VanDerWaalsContact C-N 3.3Å; K226-Y228 PolarHBondContact O-N 3.41Å; K226-A230 WeakPolarHBondContact O-CB 3.49Å; K226-A230 PolarHBondContact O-N 2.8Å
227	A	90.8	Very high	87.4	Confident	16 Å²	16	52.9 Å²	52.9	13%	0.132	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-40	175.6	0	0	0	0	0	111.4	E223 M224 A231 E286 I289	E223-A227 PolarHBondContact O-N 3.21Å; M224-A227 PolarHBondContact O-N 2.97Å; A227-A231 VanDerWaalsContact O-CB 3.28Å; A227-A231 WeakPolarHBondContact O-CB 3.36Å; A227-A231 PolarHBondContact O-N 3.32Å; A227-E286 HydrophobicContact CB-CB 4.25Å; A227-E286 VanDerWaalsContact O-CB 3.29Å; A227-E286 WeakPolarHBondContact O-CB 3.23Å; A227-I289 HydrophobicContact CB-CD1 4.4Å
228	Y	94.4	Very high	88	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-44.7	179.7	-166.5	-107.2	0	0	0	113.6	L190 L210 M212 M224 I225 K226 A231 S232 F244 A245 L267 I289	L190-Y228 HydrophobicContact CD1-CD1 3.98Å; L190-Y228 HydrophobicContact CD1-CE1 3.5Å; L210-Y228 HydrophobicContact CD2-CE2 3.72Å; L210-Y228 HydrophobicContact CG-CE2 3.89Å; L210-Y228 PolarHBondContact O-OH 2.87Å; M212-Y228 HydrophobicContact CB-CD1 4.17Å; M212-Y228 HydrophobicContact CB-CD2 4.36Å; M212-Y228 HydrophobicContact CB-CE1 3.84Å; M212-Y228 HydrophobicContact CB-CE2 4.09Å; M212-Y228 HydrophobicContact CB-CG 4.39Å; M212-Y228 HydrophobicContact SD-CD1 4.08Å; M212-Y228 HydrophobicContact SD-CD2 4.45Å; M212-Y228 HydrophobicContact SD-CG 3.94Å; M224-Y228 VanDerWaalsContact O-CB 3.27Å; M224-Y228 WeakPolarHBondContact O-CB 3.15Å; M224-Y228 PolarHBondContact O-N 2.83Å; I225-Y228 PolarHBondContact O-N 3.05Å; K226-Y228 VanDerWaalsContact C-N 3.3Å; K226-Y228 PolarHBondContact O-N 3.41Å; Y228-A231 PolarHBondContact O-N 2.87Å; Y228-S232 PolarHBondContact O-N 2.97Å; Y228-F244 HydrophobicContact CD2-CD1 4.23Å; Y228-F244 HydrophobicContact CE1-CB 4.14Å; Y228-F244 HydrophobicContact CE1-CD1 4.15Å; Y228-F244 AromaticContact CE2-CD1 3.74Å; Y228-F244 HydrophobicContact CE2-CD1 3.74Å; Y228-F244 HydrophobicContact CE2-CE1 4.34Å; Y228-F244 AromaticContact CZ-CD1 3.71Å; Y228-A245 PolarHBondContact OH-N 2.83Å; Y228-A245 VanDerWaalsContact OH-N 3.14Å; Y228-A245 PolarHBondContact OH-O 2.85Å; Y228-L267 HydrophobicContact CD2-CD2 3.89Å; Y228-L267 HydrophobicContact CE2-CD2 3.6Å; Y228-I289 HydrophobicContact CD2-CD1 4.32Å
229	E	92.6	Very high	88.4	Confident	44 Å²	44	60.6 Å²	60.6	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-44.6	174.6	-75.6	-179.4	164.8	0	0	110.7	K183 Y185 L190 I225 S232 A233	K183-E229 IonicContact NZ-OE1 2.97Å; K183-E229 PolarHBondContact NZ-OE1 3.47Å; K183-E229 IonicContact NZ-OE2 3.5Å; K183-E229 PolarHBondContact NZ-OE2 3.2Å; Y185-E229 HydrophobicContact CE1-CG 4.18Å; Y185-E229 VanDerWaalsContact CE1-OE1 3.26Å; Y185-E229 WeakPolarHBondContact CE1-OE1 3.46Å; Y185-E229 PolarHBondContact OH-OE1 2.79Å; L190-E229 HydrophobicContact CD2-CG 3.82Å; I225-E229 HydrophobicContact CG2-CG 4.08Å; I225-E229 WeakPolarHBondContact O-CB 3.17Å; I225-E229 WeakPolarHBondContact O-CG 3.33Å; I225-E229 PolarHBondContact O-N 3.15Å; E229-S232 PolarHBondContact O-N 3.37Å; E229-A233 PolarHBondContact O-N 3.48Å; E229-A233 VanDerWaalsContact O-N 3.08Å
230	A	91.6	Very high	88.8	Confident	38 Å²	38	52.4 Å²	52.4	31%	0.314	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-46.4	175.5	0	0	0	0	0	111.6	K226 S232 A233 M234 E286	K226-A230 WeakPolarHBondContact O-CB 3.49Å; K226-A230 PolarHBondContact O-N 2.8Å; A230-S232 VanDerWaalsContact C-N 3.33Å; A230-S232 PolarHBondContact O-N 3.29Å; A230-A233 PolarHBondContact O-N 2.92Å; A230-M234 WeakPolarHBondContact O-CB 3.41Å; A230-M234 VanDerWaalsContact O-CG 3.31Å; A230-M234 WeakPolarHBondContact O-CG 3.2Å; A230-M234 PolarHBondContact O-N 2.88Å; A230-E286 HydrophobicContact CB-CB 4.2Å; A230-E286 HydrophobicContact CB-CG 4.42Å
231	A	92.9	Very high	89.2	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-38.6	177.2	0	0	0	0	0	112.7	A227 Y228 S235 F244 E286 I289 V290	A227-A231 VanDerWaalsContact O-CB 3.28Å; A227-A231 WeakPolarHBondContact O-CB 3.36Å; A227-A231 PolarHBondContact O-N 3.32Å; Y228-A231 PolarHBondContact O-N 2.87Å; A231-S235 VanDerWaalsContact O-CB 3.24Å; A231-S235 WeakPolarHBondContact O-CB 3.29Å; A231-S235 PolarHBondContact O-N 2.68Å; A231-S235 PolarHBondContact O-OG 3.15Å; A231-F244 HydrophobicContact CB-CE1 4.06Å; A231-F244 HydrophobicContact CB-CZ 4.5Å; A231-E286 HydrophobicContact CB-CB 4.21Å; A231-I289 HydrophobicContact CB-CB 3.62Å; A231-I289 HydrophobicContact CB-CD1 4.15Å; A231-I289 HydrophobicContact CB-CG1 4.49Å; A231-I289 HydrophobicContact CB-CG2 3.55Å; A231-V290 HydrophobicContact CB-CG2 3.81Å
232	S	93.7	Very high	89.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-43.5	175.7	-172.9	0	0	0	0	112.1	N189 L190 Y228 E229 A230 S235 K236	N189-S232 PolarHBondContact N-OG 2.69Å; L190-S232 PolarHBondContact N-OG 3.21Å; Y228-S232 PolarHBondContact O-N 2.97Å; E229-S232 PolarHBondContact O-N 3.37Å; A230-S232 VanDerWaalsContact C-N 3.33Å; A230-S232 PolarHBondContact O-N 3.29Å; S232-S235 PolarHBondContact O-N 3.24Å; S232-K236 PolarHBondContact O-N 3.15Å; S232-K236 VanDerWaalsContact O-N 3.13Å
233	A	91.3	Very high	90	Very high	47 Å²	47	52.9 Å²	52.9	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-46.4	176.9	0	0	0	0	0	111.7	T188 E229 A230 S235 K236 Q237	T188-A233 HydrophobicContact CG2-CB 4.13Å; E229-A233 PolarHBondContact O-N 3.48Å; E229-A233 VanDerWaalsContact O-N 3.08Å; A230-A233 PolarHBondContact O-N 2.92Å; A233-S235 VanDerWaalsContact C-N 3.35Å; A233-S235 PolarHBondContact O-N 3.3Å; A233-K236 PolarHBondContact O-N 3.27Å; A233-Q237 PolarHBondContact O-N 3.4Å
234	M	88.6	Confident	90.6	Very high	30 Å²	30	46.8 Å²	46.8	15%	0.148	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-42.1	176.1	-70.9	173.6	67.4	0	0	111.8	A230 K236 Q237 H238 E286 V290	A230-M234 WeakPolarHBondContact O-CB 3.41Å; A230-M234 VanDerWaalsContact O-CG 3.31Å; A230-M234 WeakPolarHBondContact O-CG 3.2Å; A230-M234 PolarHBondContact O-N 2.88Å; M234-K236 VanDerWaalsContact C-N 3.3Å; M234-K236 PolarHBondContact O-N 2.96Å; M234-Q237 WeakPolarHBondContact O-CB 3.39Å; M234-Q237 PolarHBondContact O-N 3.49Å; M234-Q237 VanDerWaalsContact O-N 3.14Å; M234-H238 PolarHBondContact O-CD2 3.41Å; M234-H238 PolarHBondContact O-N 2.87Å; M234-E286 HydrophobicContact SD-CG 4.28Å; M234-V290 HydrophobicContact CB-CG2 3.78Å; M234-V290 HydrophobicContact CE-CG2 4.27Å; M234-V290 HydrophobicContact SD-CG2 4.31Å
235	S	91.3	Very high	91	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-42.3	178.6	-64.4	0	0	0	0	111.7	A231 S232 A233 H238 N239 I240 F244	A231-S235 VanDerWaalsContact O-CB 3.24Å; A231-S235 WeakPolarHBondContact O-CB 3.29Å; A231-S235 PolarHBondContact O-N 2.68Å; A231-S235 PolarHBondContact O-OG 3.15Å; S232-S235 PolarHBondContact O-N 3.24Å; A233-S235 VanDerWaalsContact C-N 3.35Å; A233-S235 PolarHBondContact O-N 3.3Å; S235-H238 CarbonylContact O-C 3.47Å; S235-H238 PolarHBondContact O-N 3.2Å; S235-N239 PolarHBondContact O-N 3.08Å; S235-N239 VanDerWaalsContact O-N 3.15Å; S235-I240 PolarHBondContact O-N 3.04Å; S235-F244 VanDerWaalsContact OG-CZ 3.28Å; S235-F244 WeakPolarHBondContact OG-CZ 3.48Å
236	K	88.7	Confident	91.2	Very high	87 Å²	87	44.7 Å²	44.7	38%	0.378	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-43.2	174.3	-173	176.6	179.6	176.7	0	112.4	Q187 S232 A233 M234 H238 N239	Q187-K236 VanDerWaalsContact C-NZ 3.33Å; Q187-K236 VanDerWaalsContact O-CD 3.23Å; Q187-K236 WeakPolarHBondContact O-CD 3.37Å; Q187-K236 PolarHBondContact O-NZ 2.84Å; S232-K236 PolarHBondContact O-N 3.15Å; S232-K236 VanDerWaalsContact O-N 3.13Å; A233-K236 PolarHBondContact O-N 3.27Å; M234-K236 VanDerWaalsContact C-N 3.3Å; M234-K236 PolarHBondContact O-N 2.96Å; K236-H238 PolarHBondContact O-N 2.87Å; K236-N239 PolarHBondContact O-N 2.95Å
237	Q	87.1	Confident	91.4	Very high	150 Å²	150	37.8 Å²	37.8	70%	0.701	21%	0.212	S	C	*	.	H	α-helix	trans	-59	-36.3	176.2	179.4	-178.8	-11.4	0	0	112.1	A233 M234	A233-Q237 PolarHBondContact O-N 3.4Å; M234-Q237 WeakPolarHBondContact O-CB 3.39Å; M234-Q237 PolarHBondContact O-N 3.49Å; M234-Q237 VanDerWaalsContact O-N 3.14Å
238	H	85.4	Confident	91.2	Very high	74 Å²	74	39.1 Å²	39.1	34%	0.343	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	10.5	-179.7	-69.7	-68.5	0	0	0	114.1	M234 S235 K236 I240 V514	M234-H238 PolarHBondContact O-CD2 3.41Å; M234-H238 PolarHBondContact O-N 2.87Å; S235-H238 CarbonylContact O-C 3.47Å; S235-H238 PolarHBondContact O-N 3.2Å; K236-H238 PolarHBondContact O-N 2.87Å; H238-I240 HydrophobicContact CB-CD1 4.03Å; H238-I240 HydrophobicContact CB-CG1 4.12Å; H238-I240 PolarHBondContact O-N 3.49Å; H238-V514 HydrophobicContact CB-CG1 4.02Å
239	N	87.8	Confident	90.9	Very high	152 Å²	152	40 Å²	40	81%	0.813	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	31.6	-176.8	-62.3	-42.4	0	0	0	114	S235 K236 S241	S235-N239 PolarHBondContact O-N 3.08Å; S235-N239 VanDerWaalsContact O-N 3.15Å; K236-N239 PolarHBondContact O-N 2.95Å; N239-S241 PolarHBondContact O-N 3.42Å
240	I	88	Confident	90.3	Very high	14 Å²	14	41 Å²	41	7%	0.072	23%	0.231	C	C	.	.			trans	-74.1	120.6	175	-66.2	166.9	0	0	0	108.3	S235 H238 V290 M293 A294 V514	S235-I240 PolarHBondContact O-N 3.04Å; H238-I240 HydrophobicContact CB-CD1 4.03Å; H238-I240 HydrophobicContact CB-CG1 4.12Å; H238-I240 PolarHBondContact O-N 3.49Å; I240-V290 HydrophobicContact CD1-CG1 3.59Å; I240-M293 VanDerWaalsContact CG2-C 3.48Å; I240-M293 HydrophobicContact CG2-CB 3.85Å; I240-M293 WeakPolarHBondContact CG2-O 3.45Å; I240-A294 HydrophobicContact CD1-CB 3.86Å; I240-A294 HydrophobicContact CG1-CB 4.16Å; I240-V514 HydrophobicContact CD1-CG2 4.03Å
241	S	87.9	Confident	90	Very high	84 Å²	84	41.9 Å²	41.9	59%	0.587	23%	0.233	S	C	*	.			trans	-71.2	149.7	178.1	58.1	0	0	0	0	111.8	N239	N239-S241 PolarHBondContact O-N 3.42Å
242	G	91.4	Very high	89.6	Confident	10 Å²	10	42.7 Å²	42.7	10%	0.103	24%	0.236	C	C	.	.	S	Bend	trans	124.5	164.6	176.7	0	0	0	0	0	112.6	P208	P208-G242 CarbonylContact O-C 3.57Å; P208-G242 WeakPolarHBondContact O-CA 3.33Å
243	I	93.7	Very high	89	Confident	38 Å²	38	51 Å²	51	20%	0.195	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.4	-175.2	-58.3	173.8	0	0	0	108.4	V191 M202 D207 P208 V209 L210	V191-I243 HydrophobicContact CB-CG2 4.37Å; V191-I243 HydrophobicContact CG2-CG2 3.93Å; M202-I243 HydrophobicContact CG-CD1 4.38Å; M202-I243 HydrophobicContact SD-CG2 3.9Å; D207-I243 HydrophobicContact CB-CD1 3.98Å; D207-I243 HydrophobicContact CB-CG1 4.09Å; P208-I243 PolarHBondContact O-N 3.26Å; V209-I243 WeakPolarHBondContact CA-O 3.44Å; V209-I243 HydrophobicContact CG1-CB 4.43Å; V209-I243 HydrophobicContact CG2-CB 4.33Å; V209-I243 HydrophobicContact CG2-CD1 4.43Å; L210-I243 PolarHBondContact N-O 3.45Å
244	F	96.3	Very high	88.3	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.5	164.4	-71.6	-109.3	0	0	0	107	N189 L190 V191 L210 Y228 A231 S235 I289 M293	N189-F244 HydrophobicContact CB-CD2 4.43Å; N189-F244 PolarHBondContact O-N 2.98Å; N189-F244 VanDerWaalsContact O-N 3.09Å; L190-F244 CarbonylContact C-O 3.56Å; L190-F244 VanDerWaalsContact CA-O 3.27Å; L190-F244 WeakPolarHBondContact CA-O 3.39Å; L190-F244 HydrophobicContact CB-CB 4.48Å; L190-F244 HydrophobicContact CD1-CB 3.74Å; V191-F244 PolarHBondContact N-O 2.9Å; L210-F244 HydrophobicContact CD2-CE1 4.38Å; L210-F244 CarbonylContact O-C 3.58Å; Y228-F244 HydrophobicContact CD2-CD1 4.23Å; Y228-F244 HydrophobicContact CE1-CB 4.14Å; Y228-F244 HydrophobicContact CE1-CD1 4.15Å; Y228-F244 AromaticContact CE2-CD1 3.74Å; Y228-F244 HydrophobicContact CE2-CD1 3.74Å; Y228-F244 HydrophobicContact CE2-CE1 4.34Å; Y228-F244 AromaticContact CZ-CD1 3.71Å; A231-F244 HydrophobicContact CB-CE1 4.06Å; A231-F244 HydrophobicContact CB-CZ 4.5Å; S235-F244 VanDerWaalsContact OG-CZ 3.28Å; S235-F244 WeakPolarHBondContact OG-CZ 3.48Å; F244-I289 HydrophobicContact CE1-CG2 3.61Å; F244-I289 HydrophobicContact CZ-CG2 4.24Å; F244-M293 HydrophobicContact CD2-CE 4.44Å; F244-M293 HydrophobicContact CE1-CG 4.24Å; F244-M293 HydrophobicContact CE2-CB 4.5Å; F244-M293 HydrophobicContact CE2-CE 4.09Å; F244-M293 HydrophobicContact CE2-CG 4.03Å; F244-M293 HydrophobicContact CZ-CB 4.22Å; F244-M293 HydrophobicContact CZ-CG 3.59Å
245	A	96.1	Very high	87.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.4	177.9	0	0	0	0	0	110.1	V191 V193 M202 V209 L210 T211 M212 Y228	V191-A245 CarbonylContact O-C 3.5Å; V191-A245 WeakPolarHBondContact O-CA 3.45Å; V193-A245 HydrophobicContact CG2-CB 3.77Å; M202-A245 HydrophobicContact CE-CB 3.58Å; M202-A245 HydrophobicContact SD-CB 3.71Å; V209-A245 HydrophobicContact CG1-CB 4.17Å; L210-A245 PolarHBondContact O-N 2.82Å; T211-A245 CarbonylContact C-O 3.55Å; T211-A245 WeakPolarHBondContact CA-O 3.18Å; T211-A245 HydrophobicContact CG2-CB 4Å; M212-A245 PolarHBondContact N-O 3.38Å; Y228-A245 PolarHBondContact OH-N 2.83Å; Y228-A245 VanDerWaalsContact OH-N 3.14Å; Y228-A245 PolarHBondContact OH-O 2.85Å
246	A	95.2	Very high	87.3	Confident	7 Å²	7	61.8 Å²	61.8	6%	0.058	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	105.5	173.4	0	0	0	0	0	108.5	L190 V191 V193 Y214	L190-A246 HydrophobicContact CD1-CB 3.92Å; L190-A246 HydrophobicContact CG-CB 4.46Å; V191-A246 PolarHBondContact O-N 2.81Å; V193-A246 PolarHBondContact N-O 2.88Å; Y214-A246 HydrophobicContact CE1-CB 3.97Å
247	A	93.6	Very high	87.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	93.3	179.9	0	0	0	0	0	110.1	V193 T211 M212 F213 Y214 L249 W252	V193-A247 HydrophobicContact CB-CB 4.29Å; T211-A247 HydrophobicContact CG2-CB 3.93Å; M212-A247 PolarHBondContact O-N 3.01Å; F213-A247 WeakPolarHBondContact CA-O 3.49Å; F213-A247 HydrophobicContact CD1-CB 3.57Å; F213-A247 HydrophobicContact CE1-CB 3.79Å; F213-A247 HydrophobicContact CG-CB 4.27Å; Y214-A247 PolarHBondContact N-O 2.86Å; Y214-A247 VanDerWaalsContact N-O 3.07Å; A247-L249 PolarHBondContact O-N 3.32Å; A247-W252 HydrophobicContact CB-CZ2 3.83Å
248	E	88.3	Confident	87.2	Confident	44 Å²	44	52.8 Å²	52.8	21%	0.206	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	101.4	177.2	-166.4	-171.9	133.1	0	0	110.4	Y214 S250 T251 W252	Y214-E248 HydrophobicContact CD2-CG 4.38Å; Y214-E248 HydrophobicContact CE1-CB 3.79Å; Y214-E248 HydrophobicContact CE1-CG 4.3Å; Y214-E248 HydrophobicContact CE2-CB 4.1Å; Y214-E248 HydrophobicContact CE2-CG 3.69Å; Y214-E248 WeakPolarHBondContact OH-CB 3.44Å; Y214-E248 PolarHBondContact OH-OE2 3.34Å; E248-S250 WeakPolarHBondContact CG-OG 3.47Å; E248-S250 PolarHBondContact O-N 3.31Å; E248-S250 VanDerWaalsContact O-N 3.16Å; E248-S250 PolarHBondContact OE1-OG 3.18Å; E248-T251 HydrophobicContact CB-CG2 4.16Å; E248-T251 HydrophobicContact CG-CG2 4.26Å; E248-T251 PolarHBondContact O-N 2.85Å; E248-T251 PolarHBondContact O-OG1 3.31Å; E248-W252 VanDerWaalsContact O-CD1 3.24Å
249	L	86.3	Confident	87.2	Confident	21 Å²	21	58.3 Å²	58.3	11%	0.11	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-64	-22.6	-174	-64.7	-179.6	0	0	0	113.3	F213 Y214 L215 A247 T251 W252 V257 V261 V264	F213-L249 HydrophobicContact CB-CD1 4.42Å; F213-L249 HydrophobicContact CD1-CD2 3.82Å; F213-L249 HydrophobicContact CD1-CG 4.5Å; Y214-L249 WeakPolarHBondContact O-CB 3.45Å; Y214-L249 PolarHBondContact O-N 3.1Å; L215-L249 HydrophobicContact CD2-CB 3.67Å; L215-L249 HydrophobicContact CG-CB 4.34Å; A247-L249 PolarHBondContact O-N 3.32Å; L249-T251 PolarHBondContact O-N 2.88Å; L249-W252 HydrophobicContact CD2-CD2 4.34Å; L249-W252 HydrophobicContact CD2-CE3 4.5Å; L249-W252 PolarHBondContact O-N 3.1Å; L249-W252 VanDerWaalsContact O-N 3.11Å; L249-V257 HydrophobicContact CD1-CG1 4.46Å; L249-V257 HydrophobicContact CD2-CG1 4.05Å; L249-V257 HydrophobicContact CD2-CG2 4.14Å; L249-V261 HydrophobicContact CD1-CG1 3.93Å; L249-V264 HydrophobicContact CD1-CG1 3.7Å
250	S	81.9	Confident	87.1	Confident	63 Å²	63	54.2 Å²	54.2	44%	0.441	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62.7	-22.8	172.2	24.1	0	0	0	0	113.1	E248	E248-S250 WeakPolarHBondContact CG-OG 3.47Å; E248-S250 PolarHBondContact O-N 3.31Å; E248-S250 VanDerWaalsContact O-N 3.16Å; E248-S250 PolarHBondContact OE1-OG 3.18Å
251	T	84.2	Confident	86.9	Confident	57 Å²	57	54.7 Å²	54.7	35%	0.35	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-87.2	-14	176.5	68.5	0	0	0	0	113	E248 L249	E248-T251 HydrophobicContact CB-CG2 4.16Å; E248-T251 HydrophobicContact CG-CG2 4.26Å; E248-T251 PolarHBondContact O-N 2.85Å; E248-T251 PolarHBondContact O-OG1 3.31Å; L249-T251 PolarHBondContact O-N 2.88Å
252	W	83.8	Confident	86.6	Confident	18 Å²	18	59.1 Å²	59.1	7%	0.068	28%	0.281	C	S	.	.	S	Bend	trans	-89.6	152.3	-176.2	-67.9	37.4	0	0	0	110.8	V193 M194 R196 F199 F213 A247 E248 L249 V257 P258	V193-W252 HydrophobicContact CB-CZ2 4.46Å; V193-W252 HydrophobicContact CG1-CZ2 3.72Å; V193-W252 PolarHBondContact O-NE1 3.32Å; M194-W252 VanDerWaalsContact C-CD1 3.43Å; M194-W252 VanDerWaalsContact C-NE1 3.28Å; M194-W252 VanDerWaalsContact O-CD1 3.29Å; R196-W252 HydrophobicContact CB-CE3 4.03Å; R196-W252 HydrophobicContact CB-CH2 4.49Å; R196-W252 HydrophobicContact CB-CZ3 3.71Å; R196-W252 HydrophobicContact CG-CZ3 4.3Å; F199-W252 HydrophobicContact CB-CH2 3.61Å; F199-W252 HydrophobicContact CB-CZ2 4.13Å; F199-W252 HydrophobicContact CD1-CH2 4.33Å; F199-W252 HydrophobicContact CG-CH2 4.02Å; F213-W252 AromaticContact CE1-CH2 3.97Å; F213-W252 HydrophobicContact CE1-CH2 3.97Å; F213-W252 HydrophobicContact CE1-CZ2 4.43Å; A247-W252 HydrophobicContact CB-CZ2 3.83Å; E248-W252 VanDerWaalsContact O-CD1 3.24Å; L249-W252 HydrophobicContact CD2-CD2 4.34Å; L249-W252 HydrophobicContact CD2-CE3 4.5Å; L249-W252 PolarHBondContact O-N 3.1Å; L249-W252 VanDerWaalsContact O-N 3.11Å; W252-V257 HydrophobicContact CB-CG2 4.49Å; W252-P258 HydrophobicContact CZ3-CG 4.17Å
253	R	81.3	Confident	86.1	Confident	173 Å²	173	60.2 Å²	60.2	65%	0.653	29%	0.287	S	S	*	.			trans	-72.5	133.5	167	-65.2	-175.5	-175.5	177.3	2.9	108.7	Y255 T256	R253-Y255 VanDerWaalsContact C-N 3.34Å; R253-Y255 HydrophobicContact CB-CD1 4.17Å; R253-Y255 HydrophobicContact CB-CE1 3.74Å; R253-Y255 WeakPolarHBondContact CD-OH 3.43Å; R253-Y255 HydrophobicContact CG-CE1 4.34Å; R253-Y255 PolarHBondContact NH1-OH 2.89Å; R253-Y255 PolarHBondContact O-N 3.31Å; R253-T256 HydrophobicContact CB-CG2 3.94Å; R253-T256 PolarHBondContact N-OG1 3.15Å; R253-T256 WeakPolarHBondContact O-CA 3.26Å; R253-T256 WeakPolarHBondContact O-CB 3.45Å; R253-T256 PolarHBondContact O-N 3.35Å; R253-T256 PolarHBondContact O-OG1 3.25Å
254	E	76.9	Confident	85.6	Confident	107 Å²	107	59.2 Å²	59.2	50%	0.5	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-50.9	-47.8	-173.6	-172.8	177	169.9	0	0	113.7	R52 T256 V257	R52-E254 WeakPolarHBondContact CD-OE1 3.3Å; R52-E254 IonicContact CZ-OE1 3.84Å; R52-E254 IonicContact CZ-OE2 3.31Å; R52-E254 VanDerWaalsContact CZ-OE2 3.24Å; R52-E254 IonicContact NE-OE1 3.71Å; R52-E254 PolarHBondContact NE-OE1 3.09Å; R52-E254 IonicContact NE-OE2 2.95Å; R52-E254 PolarHBondContact NE-OE2 3.04Å; R52-E254 IonicContact NH1-OE1 3.35Å; R52-E254 PolarHBondContact NH1-OE1 3.45Å; R52-E254 VanDerWaalsContact NH1-OE1 3.07Å; R52-E254 VanDerWaalsContact NH2-CD 3.29Å; R52-E254 IonicContact NH2-OE1 2.73Å; R52-E254 PolarHBondContact NH2-OE1 2.93Å; R52-E254 IonicContact NH2-OE2 2.75Å; R52-E254 PolarHBondContact NH2-OE2 3.46Å; E254-T256 PolarHBondContact O-N 3.49Å; E254-T256 VanDerWaalsContact O-N 3.07Å; E254-V257 WeakPolarHBondContact O-CG2 3.38Å; E254-V257 PolarHBondContact O-N 3.22Å; E254-V257 VanDerWaalsContact O-N 3.14Å
255	Y	76.5	Confident	85.3	Confident	172 Å²	172	61.1 Å²	61.1	68%	0.675	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-68.9	-5.8	178.8	66.6	-93.5	0	0	0	114.5	R253	R253-Y255 VanDerWaalsContact C-N 3.34Å; R253-Y255 HydrophobicContact CB-CD1 4.17Å; R253-Y255 HydrophobicContact CB-CE1 3.74Å; R253-Y255 WeakPolarHBondContact CD-OH 3.43Å; R253-Y255 HydrophobicContact CG-CE1 4.34Å; R253-Y255 PolarHBondContact NH1-OH 2.89Å; R253-Y255 PolarHBondContact O-N 3.31Å
256	T	83	Confident	84.9	Confident	26 Å²	26	61.5 Å²	61.5	16%	0.16	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-98.9	-8.4	176.7	69.3	0	0	0	0	112.7	R196 R253 E254	R196-T256 WeakPolarHBondContact CB-O 3.3Å; R196-T256 VanDerWaalsContact CD-O 3.23Å; R196-T256 WeakPolarHBondContact CD-O 3.42Å; R253-T256 HydrophobicContact CB-CG2 3.94Å; R253-T256 PolarHBondContact N-OG1 3.15Å; R253-T256 WeakPolarHBondContact O-CA 3.26Å; R253-T256 WeakPolarHBondContact O-CB 3.45Å; R253-T256 PolarHBondContact O-N 3.35Å; R253-T256 PolarHBondContact O-OG1 3.25Å; E254-T256 PolarHBondContact O-N 3.49Å; E254-T256 VanDerWaalsContact O-N 3.07Å
257	V	86.2	Confident	84.9	Confident	41 Å²	41	61.6 Å²	61.6	25%	0.248	30%	0.296	C	S	.	.	S	Bend	trans	-62.8	132.2	174.3	-179	0	0	0	0	109	L249 W252 E254 V261	L249-V257 HydrophobicContact CD1-CG1 4.46Å; L249-V257 HydrophobicContact CD2-CG1 4.05Å; L249-V257 HydrophobicContact CD2-CG2 4.14Å; W252-V257 HydrophobicContact CB-CG2 4.49Å; E254-V257 WeakPolarHBondContact O-CG2 3.38Å; E254-V257 PolarHBondContact O-N 3.22Å; E254-V257 VanDerWaalsContact O-N 3.14Å; V257-V261 HydrophobicContact CG1-CB 4.01Å; V257-V261 HydrophobicContact CG1-CG1 4.31Å; V257-V261 HydrophobicContact CG1-CG2 4.42Å
258	P	87.4	Confident	85	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.039	30%	0.298	C	S	.	.			trans	-65.1	139.5	-179.9	-18.8	32	0	0	0	111.4	F199 F213 W252 F260 V261	F199-P258 HydrophobicContact CE1-CG 4.44Å; F213-P258 HydrophobicContact CE1-CG 4.46Å; W252-P258 HydrophobicContact CZ3-CG 4.17Å; P258-F260 HydrophobicContact CB-CD1 3.71Å; P258-F260 HydrophobicContact CB-CD2 4.39Å; P258-F260 HydrophobicContact CB-CE1 3.25Å; P258-F260 HydrophobicContact CB-CE2 3.97Å; P258-F260 HydrophobicContact CB-CG 4.26Å; P258-F260 HydrophobicContact CB-CZ 3.39Å; P258-F260 HydrophobicContact CG-CE1 4.05Å; P258-F260 HydrophobicContact CG-CE2 4.39Å; P258-F260 HydrophobicContact CG-CZ 3.77Å; P258-F260 PolarHBondContact O-N 2.91Å; P258-F260 VanDerWaalsContact O-N 3.12Å; P258-V261 HydrophobicContact CB-CG2 4.17Å; P258-V261 HydrophobicContact CG-CG2 4.23Å; P258-V261 WeakPolarHBondContact O-CB 3.2Å; P258-V261 PolarHBondContact O-N 3.06Å
259	E	85	Confident	85.4	Confident	191 Å²	191	59.7 Å²	59.7	89%	0.893	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26	-175.8	-172.6	-179.9	178.8	0	0	113.8	V261	E259-V261 PolarHBondContact O-N 3.42Å
260	F	85.4	Confident	85.9	Confident	66 Å²	66	60.1 Å²	60.1	29%	0.289	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-15.3	176.4	62.2	-106.7	0	0	0	113.3	F199 F213 P258 K262 M266 I268 L278	F199-F260 AromaticContact CE1-CZ 3.98Å; F199-F260 HydrophobicContact CE1-CZ 3.98Å; F199-F260 HydrophobicContact CZ-CZ 4.16Å; F213-F260 AromaticContact CE2-CE2 3.93Å; F213-F260 HydrophobicContact CE2-CE2 3.93Å; F213-F260 HydrophobicContact CE2-CZ 4.46Å; F213-F260 HydrophobicContact CZ-CE2 4.06Å; F213-F260 HydrophobicContact CZ-CZ 4.22Å; P258-F260 HydrophobicContact CB-CD1 3.71Å; P258-F260 HydrophobicContact CB-CD2 4.39Å; P258-F260 HydrophobicContact CB-CE1 3.25Å; P258-F260 HydrophobicContact CB-CE2 3.97Å; P258-F260 HydrophobicContact CB-CG 4.26Å; P258-F260 HydrophobicContact CB-CZ 3.39Å; P258-F260 HydrophobicContact CG-CE1 4.05Å; P258-F260 HydrophobicContact CG-CE2 4.39Å; P258-F260 HydrophobicContact CG-CZ 3.77Å; P258-F260 PolarHBondContact O-N 2.91Å; P258-F260 VanDerWaalsContact O-N 3.12Å; F260-K262 PolarHBondContact O-N 3.42Å; F260-M266 WeakPolarHBondContact O-CE 3.43Å; F260-I268 HydrophobicContact CD2-CD1 4.23Å; F260-I268 HydrophobicContact CD2-CG1 4.27Å; F260-I268 HydrophobicContact CE2-CD1 4.3Å; F260-I268 HydrophobicContact CE2-CG1 3.85Å; F260-L278 HydrophobicContact CD1-CD1 4.4Å; F260-L278 HydrophobicContact CE1-CD1 3.69Å; F260-L278 HydrophobicContact CZ-CD1 4.1Å
261	V	85	Confident	86.4	Confident	23 Å²	23	57.1 Å²	57.1	14%	0.139	27%	0.268	C	S	.	.			trans	-77.8	93.9	178.1	-176.8	0	0	0	0	108.7	F213 L249 V257 P258 E259 M266	F213-V261 HydrophobicContact CB-CG1 4.17Å; F213-V261 HydrophobicContact CD1-CG2 3.96Å; F213-V261 HydrophobicContact CD2-CG2 4.14Å; F213-V261 HydrophobicContact CE1-CG2 4.06Å; F213-V261 HydrophobicContact CE2-CG2 4.25Å; F213-V261 HydrophobicContact CG-CG1 4.36Å; F213-V261 HydrophobicContact CG-CG2 3.98Å; F213-V261 HydrophobicContact CZ-CG2 4.2Å; L249-V261 HydrophobicContact CD1-CG1 3.93Å; V257-V261 HydrophobicContact CG1-CB 4.01Å; V257-V261 HydrophobicContact CG1-CG1 4.31Å; V257-V261 HydrophobicContact CG1-CG2 4.42Å; P258-V261 HydrophobicContact CB-CG2 4.17Å; P258-V261 HydrophobicContact CG-CG2 4.23Å; P258-V261 WeakPolarHBondContact O-CB 3.2Å; P258-V261 PolarHBondContact O-N 3.06Å; E259-V261 PolarHBondContact O-N 3.42Å; V261-M266 HydrophobicContact CB-SD 4.42Å; V261-M266 HydrophobicContact CG1-SD 4.39Å; V261-M266 HydrophobicContact CG2-SD 4.45Å
262	K	80.5	Confident	86.6	Confident	178 Å²	178	57.5 Å²	57.5	77%	0.774	27%	0.273	S	S	*	.			trans	-94.2	-25.9	-174.6	-65.6	178.7	-177.3	179.1	0	114.1	F260	F260-K262 PolarHBondContact O-N 3.42Å
263	S	82.1	Confident	86.7	Confident	33 Å²	33	62.2 Å²	62.2	23%	0.231	30%	0.298	C	S	.	.	S	Bend	trans	-154	166.7	-177.4	56.3	0	0	0	0	110.1	M266	S263-M266 VanDerWaalsContact O-CB 3.24Å; S263-M266 WeakPolarHBondContact O-CB 3.42Å
264	V	82.2	Confident	86.7	Confident	16 Å²	16	55.7 Å²	55.7	10%	0.097	28%	0.276	C	S	.	.	S	Bend	trans	-133.2	148.9	171.7	-66.5	0	0	0	0	110.9	F213 L215 L249	F213-V264 HydrophobicContact CB-CG1 4.43Å; F213-V264 WeakPolarHBondContact O-CG1 3.48Å; L215-V264 HydrophobicContact CB-CG2 4.41Å; L215-V264 HydrophobicContact CD1-CG2 3.87Å; L215-V264 HydrophobicContact CG-CG2 4.09Å; L249-V264 HydrophobicContact CD1-CG1 3.7Å
265	P	90	Very high	87.1	Confident	41 Å²	41	54.9 Å²	54.9	27%	0.266	29%	0.288	S	S	.	.	S	Bend	cis	-66.6	142.4	-6.6	30.1	-35.7	0	0	0	111.8	M212 F213 M224	M212-P265 HydrophobicContact CE-CB 3.55Å; F213-P265 WeakPolarHBondContact O-CA 3.5Å; M224-P265 HydrophobicContact CB-CB 4.11Å; M224-P265 HydrophobicContact CB-CG 3.91Å; M224-P265 HydrophobicContact CG-CB 4.09Å; M224-P265 HydrophobicContact CG-CG 4.17Å
266	M	87.3	Confident	87.6	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.4	174.9	-178.9	-172.3	-156.5	0	0	109.5	M212 F213 F260 V261 S263 I268 E280	M212-M266 CarbonylContact C-O 3.55Å; M212-M266 WeakPolarHBondContact CA-O 3.2Å; F213-M266 HydrophobicContact CB-CB 4.41Å; F213-M266 PolarHBondContact N-O 2.86Å; F213-M266 PolarHBondContact O-N 2.98Å; F260-M266 WeakPolarHBondContact O-CE 3.43Å; V261-M266 HydrophobicContact CB-SD 4.42Å; V261-M266 HydrophobicContact CG1-SD 4.39Å; V261-M266 HydrophobicContact CG2-SD 4.45Å; S263-M266 VanDerWaalsContact O-CB 3.24Å; S263-M266 WeakPolarHBondContact O-CB 3.42Å; M266-I268 HydrophobicContact CE-CD1 3.51Å; M266-I268 HydrophobicContact CE-CG1 4.4Å; M266-I268 HydrophobicContact CG-CD1 4.21Å; M266-I268 HydrophobicContact CG-CG1 4.36Å; M266-I268 HydrophobicContact SD-CD1 4.02Å; M266-I268 HydrophobicContact SD-CG1 4.29Å; M266-E280 HydrophobicContact CE-CB 4.15Å; M266-E280 HydrophobicContact CE-CG 3.88Å; M266-E280 VanDerWaalsContact CE-OE2 3.31Å; M266-E280 WeakPolarHBondContact CE-OE2 3.18Å; M266-E280 HydrophobicContact CG-CG 4.39Å
267	L	96.1	Very high	88	Confident	9 Å²	9	55.2 Å²	55.2	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.6	176.3	-70.2	165.3	0	0	0	110.1	L210 T211 M212 M224 Y228 E280 V281 F283	L210-L267 HydrophobicContact CD1-CB 4.24Å; L210-L267 HydrophobicContact CD1-CD2 4.24Å; L210-L267 HydrophobicContact CG-CD2 4.26Å; T211-L267 CarbonylContact O-C 3.5Å; T211-L267 WeakPolarHBondContact O-CA 3.5Å; M212-L267 HydrophobicContact CB-CD2 3.7Å; M212-L267 HydrophobicContact CG-CD2 4.08Å; M224-L267 HydrophobicContact CE-CD1 3.34Å; M224-L267 HydrophobicContact CE-CD2 4.42Å; M224-L267 HydrophobicContact CE-CG 4.2Å; Y228-L267 HydrophobicContact CD2-CD2 3.89Å; Y228-L267 HydrophobicContact CE2-CD2 3.6Å; L267-E280 WeakPolarHBondContact O-CA 3.34Å; L267-V281 HydrophobicContact CB-CG2 3.77Å; L267-V281 WeakPolarHBondContact CB-O 3.4Å; L267-V281 PolarHBondContact O-N 2.78Å; L267-F283 HydrophobicContact CD1-CD2 3.42Å; L267-F283 VanDerWaalsContact CD1-CD2 3.42Å; L267-F283 HydrophobicContact CD1-CE2 3.88Å; L267-F283 HydrophobicContact CD1-CG 4.47Å
268	I	95.9	Very high	88.3	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.9	175.4	-63.4	-60.1	0	0	0	108.9	T211 F213 F260 M266 L278 T279 E280	T211-I268 PolarHBondContact N-O 3.24Å; T211-I268 PolarHBondContact O-N 2.74Å; F213-I268 HydrophobicContact CD2-CG1 4.03Å; F213-I268 HydrophobicContact CE2-CB 4.02Å; F213-I268 HydrophobicContact CE2-CG1 3.68Å; F260-I268 HydrophobicContact CD2-CD1 4.23Å; F260-I268 HydrophobicContact CD2-CG1 4.27Å; F260-I268 HydrophobicContact CE2-CD1 4.3Å; F260-I268 HydrophobicContact CE2-CG1 3.85Å; M266-I268 HydrophobicContact CE-CD1 3.51Å; M266-I268 HydrophobicContact CE-CG1 4.4Å; M266-I268 HydrophobicContact CG-CD1 4.21Å; M266-I268 HydrophobicContact CG-CG1 4.36Å; M266-I268 HydrophobicContact SD-CD1 4.02Å; M266-I268 HydrophobicContact SD-CG1 4.29Å; I268-L278 HydrophobicContact CG2-CB 3.9Å; I268-L278 HydrophobicContact CG2-CD2 3.54Å; I268-L278 HydrophobicContact CG2-CG 4.32Å; I268-T279 WeakPolarHBondContact CA-O 3.5Å; I268-E280 HydrophobicContact CD1-CB 4.04Å
269	F	97.1	Very high	88.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144	170.6	-176.9	-108.8	0	0	0	111.7	P208 V209 L210 M276 L278 T279 V281 F292 M293 P296 F300	P208-F269 HydrophobicContact CB-CE2 3.8Å; P208-F269 HydrophobicContact CB-CZ 3.82Å; V209-F269 CarbonylContact O-C 3.6Å; V209-F269 WeakPolarHBondContact O-CA 3.35Å; V209-F269 WeakPolarHBondContact O-CD2 3.47Å; L210-F269 HydrophobicContact CB-CD2 4.41Å; L210-F269 HydrophobicContact CD1-CB 4.26Å; F269-M276 HydrophobicContact CD1-CB 4.32Å; F269-M276 HydrophobicContact CD1-SD 4.01Å; F269-M276 HydrophobicContact CE1-CB 4.17Å; F269-M276 HydrophobicContact CE1-CG 4.49Å; F269-M276 HydrophobicContact CE1-SD 3.52Å; F269-M276 VanDerWaalsContact CE1-SD 3.52Å; F269-L278 WeakPolarHBondContact O-CA 3.27Å; F269-T279 PolarHBondContact N-O 3.31Å; F269-T279 PolarHBondContact O-N 3.41Å; F269-V281 HydrophobicContact CB-CG1 4.21Å; F269-V281 HydrophobicContact CB-CG2 4.38Å; F269-F292 HydrophobicContact CB-CE1 3.98Å; F269-F292 HydrophobicContact CB-CZ 3.68Å; F269-F292 HydrophobicContact CD1-CE1 4.41Å; F269-F292 AromaticContact CD1-CZ 3.75Å; F269-F292 HydrophobicContact CD1-CZ 3.75Å; F269-F292 AromaticContact CD2-CE1 3.39Å; F269-F292 HydrophobicContact CD2-CE1 3.39Å; F269-F292 AromaticContact CD2-CZ 3.6Å; F269-F292 HydrophobicContact CD2-CZ 3.6Å; F269-F292 HydrophobicContact CE1-CZ 4.24Å; F269-F292 AromaticContact CE2-CE1 3.87Å; F269-F292 HydrophobicContact CE2-CE1 3.87Å; F269-F292 HydrophobicContact CE2-CZ 4.09Å; F269-F292 AromaticContact CG-CE1 3.67Å; F269-F292 HydrophobicContact CG-CE1 3.67Å; F269-F292 AromaticContact CG-CZ 3.38Å; F269-F292 HydrophobicContact CG-CZ 3.38Å; F269-F292 HydrophobicContact CZ-CZ 4.37Å; F269-M293 HydrophobicContact CD2-SD 4.42Å; F269-M293 HydrophobicContact CE2-SD 4.16Å; F269-P296 HydrophobicContact CE1-CB 3.72Å; F269-P296 HydrophobicContact CE1-CG 4.12Å; F269-P296 HydrophobicContact CE2-CB 4.42Å; F269-P296 HydrophobicContact CE2-CG 4.02Å; F269-P296 HydrophobicContact CZ-CB 3.61Å; F269-P296 HydrophobicContact CZ-CG 3.47Å; F269-P296 VanDerWaalsContact CZ-CG 3.47Å; F269-F300 HydrophobicContact CD1-CE2 4.02Å; F269-F300 HydrophobicContact CD1-CZ 4.41Å; F269-F300 HydrophobicContact CE1-CE2 4.4Å
270	H	95.7	Very high	89.1	Confident	30 Å²	30	53.5 Å²	53.5	14%	0.139	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	136.9	171.6	178	55.9	0	0	0	110.2	L203 P208 V209 M276 L278	L203-H270 HydrophobicContact CD2-CB 3.72Å; L203-H270 PolarHBondContact O-NE2 2.93Å; P208-H270 CarbonylContact C-O 3.57Å; P208-H270 WeakPolarHBondContact CA-O 3.33Å; V209-H270 PolarHBondContact N-O 3.29Å; V209-H270 PolarHBondContact O-N 2.85Å; H270-M276 PolarHBondContact ND1-O 3.02Å; H270-L278 HydrophobicContact CB-CD2 4.03Å
271	S	93.7	Very high	89.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	117.4	172.1	173.8	0	0	0	0	110.2	I273 D274 A275 M276	S271-I273 VanDerWaalsContact C-N 3.34Å; S271-D274 WeakPolarHBondContact CB-OD2 3.12Å; S271-D274 WeakPolarHBondContact OG-CB 3.27Å; S271-D274 VanDerWaalsContact OG-CG 3.24Å; S271-D274 PolarHBondContact OG-N 3.41Å; S271-D274 VanDerWaalsContact OG-N 3.12Å; S271-D274 PolarHBondContact OG-OD2 3.24Å; S271-A275 PolarHBondContact O-N 2.94Å; S271-M276 PolarHBondContact N-O 3.25Å; S271-M276 VanDerWaalsContact N-O 3.1Å; S271-M276 PolarHBondContact O-N 3.49Å
272	S	88.3	Confident	89.7	Confident	64 Å²	64	57 Å²	57	45%	0.448	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-37.4	173.4	-69.1	0	0	0	0	111.7	G205 D274 A275	G205-S272 PolarHBondContact O-OG 2.88Å; S272-D274 VanDerWaalsContact C-N 3.35Å; S272-A275 PolarHBondContact O-N 2.96Å
273	I	85.1	Confident	90.1	Very high	117 Å²	117	49.3 Å²	49.3	60%	0.6	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-37.5	-178.6	-63.6	168.5	0	0	0	111.1	S206 S271 A275	S206-I273 VanDerWaalsContact O-CD1 3.31Å; S206-I273 WeakPolarHBondContact O-CD1 3.33Å; S206-I273 WeakPolarHBondContact O-CG1 3.36Å; S271-I273 VanDerWaalsContact C-N 3.34Å; I273-A275 VanDerWaalsContact C-N 3.32Å
274	D	81.7	Confident	90.1	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.193	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	5.9	-178.5	-51.5	-46.9	0	0	0	112.9	S271 S272 M276 K297	S271-D274 WeakPolarHBondContact CB-OD2 3.12Å; S271-D274 WeakPolarHBondContact OG-CB 3.27Å; S271-D274 VanDerWaalsContact OG-CG 3.24Å; S271-D274 PolarHBondContact OG-N 3.41Å; S271-D274 VanDerWaalsContact OG-N 3.12Å; S271-D274 PolarHBondContact OG-OD2 3.24Å; S272-D274 VanDerWaalsContact C-N 3.35Å; D274-M276 HydrophobicContact CB-CE 4.01Å; D274-M276 HydrophobicContact CB-CG 3.93Å; D274-M276 HydrophobicContact CB-SD 3.97Å; D274-M276 PolarHBondContact O-N 3.4Å; D274-M276 VanDerWaalsContact O-N 3.17Å; D274-K297 WeakPolarHBondContact OD1-CE 3.18Å; D274-K297 IonicContact OD1-NZ 2.64Å; D274-K297 PolarHBondContact OD1-NZ 3.12Å
275	A	84.7	Confident	90.2	Very high	90 Å²	90	57.3 Å²	57.3	74%	0.744	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	30.5	-173	0	0	0	0	0	113.4	S271 S272 I273	S271-A275 PolarHBondContact O-N 2.94Å; S272-A275 PolarHBondContact O-N 2.96Å; I273-A275 VanDerWaalsContact C-N 3.32Å
276	M	86.9	Confident	90.2	Very high	31 Å²	31	59 Å²	59	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	113.2	-179.9	-69.6	178	-176	0	0	110.2	F269 H270 S271 D274 P296 K297 F300	F269-M276 HydrophobicContact CD1-CB 4.32Å; F269-M276 HydrophobicContact CD1-SD 4.01Å; F269-M276 HydrophobicContact CE1-CB 4.17Å; F269-M276 HydrophobicContact CE1-CG 4.49Å; F269-M276 HydrophobicContact CE1-SD 3.52Å; F269-M276 VanDerWaalsContact CE1-SD 3.52Å; H270-M276 PolarHBondContact ND1-O 3.02Å; S271-M276 PolarHBondContact N-O 3.25Å; S271-M276 VanDerWaalsContact N-O 3.1Å; S271-M276 PolarHBondContact O-N 3.49Å; D274-M276 HydrophobicContact CB-CE 4.01Å; D274-M276 HydrophobicContact CB-CG 3.93Å; D274-M276 HydrophobicContact CB-SD 3.97Å; D274-M276 PolarHBondContact O-N 3.4Å; D274-M276 VanDerWaalsContact O-N 3.17Å; M276-P296 HydrophobicContact SD-CB 4.31Å; M276-K297 HydrophobicContact CE-CG 4.08Å; M276-F300 HydrophobicContact CE-CB 4.38Å; M276-F300 HydrophobicContact CE-CD2 3.35Å; M276-F300 HydrophobicContact CE-CE2 3.97Å; M276-F300 HydrophobicContact CE-CG 4.19Å; M276-F300 HydrophobicContact SD-CD2 3.43Å; M276-F300 WeakPolarHBondContact SD-CD2 3.33Å; M276-F300 HydrophobicContact SD-CE2 3.35Å; M276-F300 WeakPolarHBondContact SD-CE2 3.46Å; M276-F300 HydrophobicContact SD-CZ 4.44Å
277	K	90.9	Very high	90.2	Very high	175 Å²	175	61.1 Å²	61.1	76%	0.761	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	171.1	170.6	-64	-177.6	-179.1	177.5	0	110.2	T279	K277-T279 PolarHBondContact O-N 2.87Å; K277-T279 PolarHBondContact O-OG1 2.03Å
278	L	93.4	Very high	89.9	Confident	73 Å²	73	62.5 Å²	62.5	38%	0.382	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	105	173.4	-64.2	171.6	0	0	0	109.8	F199 L203 F260 I268 F269 H270	F199-L278 HydrophobicContact CZ-CD2 4.11Å; L203-L278 HydrophobicContact CD1-CD1 4.49Å; L203-L278 HydrophobicContact CD1-CD2 3.78Å; L203-L278 HydrophobicContact CD2-CD2 4.18Å; F260-L278 HydrophobicContact CD1-CD1 4.4Å; F260-L278 HydrophobicContact CE1-CD1 3.69Å; F260-L278 HydrophobicContact CZ-CD1 4.1Å; I268-L278 HydrophobicContact CG2-CB 3.9Å; I268-L278 HydrophobicContact CG2-CD2 3.54Å; I268-L278 HydrophobicContact CG2-CG 4.32Å; F269-L278 WeakPolarHBondContact O-CA 3.27Å; H270-L278 HydrophobicContact CB-CD2 4.03Å
279	T	94.5	Very high	89.7	Confident	47 Å²	47	62.3 Å²	62.3	29%	0.288	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.1	-173	-56.5	0	0	0	0	108.3	I268 F269 K277 F300	I268-T279 WeakPolarHBondContact CA-O 3.5Å; F269-T279 PolarHBondContact N-O 3.31Å; F269-T279 PolarHBondContact O-N 3.41Å; K277-T279 PolarHBondContact O-N 2.87Å; K277-T279 PolarHBondContact O-OG1 2.03Å; T279-F300 HydrophobicContact CG2-CE1 3.68Å; T279-F300 HydrophobicContact CG2-CZ 3.85Å
280	E	93.7	Very high	89.4	Confident	82 Å²	82	62.3 Å²	62.3	38%	0.383	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	132.2	172.7	-172.1	-176.5	152.2	0	0	109.6	M266 L267 I268 R282	M266-E280 HydrophobicContact CE-CB 4.15Å; M266-E280 HydrophobicContact CE-CG 3.88Å; M266-E280 VanDerWaalsContact CE-OE2 3.31Å; M266-E280 WeakPolarHBondContact CE-OE2 3.18Å; M266-E280 HydrophobicContact CG-CG 4.39Å; L267-E280 WeakPolarHBondContact O-CA 3.34Å; I268-E280 HydrophobicContact CD1-CB 4.04Å; E280-R282 IonicContact OE1-CZ 2.68Å; E280-R282 VanDerWaalsContact OE1-CZ 3.31Å; E280-R282 IonicContact OE1-NE 2.79Å; E280-R282 PolarHBondContact OE1-NE 2.79Å; E280-R282 IonicContact OE1-NH2 3.25Å; E280-R282 PolarHBondContact OE1-NH2 2.85Å
281	V	94	Very high	89.1	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.4	175.7	-66.1	0	0	0	0	109.1	L210 L267 F269 F283 F292 Y299 F300	L210-V281 HydrophobicContact CD1-CG2 3.69Å; L267-V281 HydrophobicContact CB-CG2 3.77Å; L267-V281 WeakPolarHBondContact CB-O 3.4Å; L267-V281 PolarHBondContact O-N 2.78Å; F269-V281 HydrophobicContact CB-CG1 4.21Å; F269-V281 HydrophobicContact CB-CG2 4.38Å; V281-F283 HydrophobicContact CB-CE1 4.38Å; V281-F283 HydrophobicContact CB-CE2 3.96Å; V281-F283 HydrophobicContact CB-CZ 3.63Å; V281-F283 HydrophobicContact CG1-CZ 4.41Å; V281-F283 HydrophobicContact CG2-CD2 4.47Å; V281-F283 HydrophobicContact CG2-CE2 3.44Å; V281-F283 VanDerWaalsContact CG2-CE2 3.44Å; V281-F283 HydrophobicContact CG2-CZ 3.57Å; V281-F292 HydrophobicContact CG1-CE2 4.08Å; V281-F292 HydrophobicContact CG1-CZ 3.97Å; V281-Y299 HydrophobicContact CG1-CE1 4.26Å; V281-F300 HydrophobicContact CG1-CE1 4.17Å; V281-F300 HydrophobicContact CG1-CZ 3.78Å
282	R	90.4	Very high	89.1	Confident	156 Å²	156	60.9 Å²	60.9	59%	0.589	31%	0.312	S	S	*	.			trans	-136.3	135.5	-178.6	-62.8	-177.1	180	-161.9	-0.8	109.1	E280 Y299	E280-R282 IonicContact OE1-CZ 2.68Å; E280-R282 VanDerWaalsContact OE1-CZ 3.31Å; E280-R282 IonicContact OE1-NE 2.79Å; E280-R282 PolarHBondContact OE1-NE 2.79Å; E280-R282 IonicContact OE1-NH2 3.25Å; E280-R282 PolarHBondContact OE1-NH2 2.85Å; R282-Y299 PolarHBondContact O-OH 2.82Å
283	F	89.3	Confident	89.2	Confident	18 Å²	18	58.2 Å²	58.2	8%	0.079	29%	0.293	C	S	.	.			trans	-137.3	150.8	-178.5	-50.7	-61.6	0	0	0	109.6	L210 L267 V281 E288 I289 F292 Y299	L210-F283 HydrophobicContact CD1-CE2 4.39Å; L210-F283 HydrophobicContact CD2-CE2 4.28Å; L267-F283 HydrophobicContact CD1-CD2 3.42Å; L267-F283 VanDerWaalsContact CD1-CD2 3.42Å; L267-F283 HydrophobicContact CD1-CE2 3.88Å; L267-F283 HydrophobicContact CD1-CG 4.47Å; V281-F283 HydrophobicContact CB-CE1 4.38Å; V281-F283 HydrophobicContact CB-CE2 3.96Å; V281-F283 HydrophobicContact CB-CZ 3.63Å; V281-F283 HydrophobicContact CG1-CZ 4.41Å; V281-F283 HydrophobicContact CG2-CD2 4.47Å; V281-F283 HydrophobicContact CG2-CE2 3.44Å; V281-F283 VanDerWaalsContact CG2-CE2 3.44Å; V281-F283 HydrophobicContact CG2-CZ 3.57Å; F283-E288 VanDerWaalsContact CA-OE2 3.23Å; F283-E288 WeakPolarHBondContact CA-OE2 3.3Å; F283-E288 HydrophobicContact CB-CB 3.98Å; F283-E288 HydrophobicContact CD1-CB 3.96Å; F283-E288 HydrophobicContact CG-CB 4.28Å; F283-I289 HydrophobicContact CB-CG1 3.83Å; F283-I289 HydrophobicContact CD2-CB 4.44Å; F283-I289 HydrophobicContact CD2-CG1 3.59Å; F283-I289 HydrophobicContact CE2-CG1 4.42Å; F283-I289 HydrophobicContact CG-CG1 3.87Å; F283-F292 HydrophobicContact CE1-CB 3.68Å; F283-F292 HydrophobicContact CE1-CD1 4.39Å; F283-F292 AromaticContact CE1-CD2 3.95Å; F283-F292 HydrophobicContact CE1-CD2 3.95Å; F283-F292 AromaticContact CE1-CG 3.74Å; F283-F292 HydrophobicContact CE1-CG 3.74Å; F283-F292 HydrophobicContact CE2-CD1 4.11Å; F283-F292 HydrophobicContact CE2-CG 4.27Å; F283-F292 HydrophobicContact CZ-CB 3.66Å; F283-F292 AromaticContact CZ-CD1 3.52Å; F283-F292 HydrophobicContact CZ-CD1 3.52Å; F283-F292 AromaticContact CZ-CD2 3.7Å; F283-F292 HydrophobicContact CZ-CD2 3.7Å; F283-F292 HydrophobicContact CZ-CE1 4.06Å; F283-F292 HydrophobicContact CZ-CE2 4.22Å; F283-F292 AromaticContact CZ-CG 3.31Å; F283-F292 HydrophobicContact CZ-CG 3.31Å; F283-F292 HydrophobicContact CZ-CZ 4.38Å; F283-Y299 HydrophobicContact CD1-CE2 4.38Å; F283-Y299 HydrophobicContact CE1-CD2 4.38Å; F283-Y299 AromaticContact CE1-CE2 3.8Å; F283-Y299 HydrophobicContact CE1-CE2 3.8Å; F283-Y299 AromaticContact CE1-CZ 3.88Å
284	Q	80.8	Confident	89.4	Confident	185 Å²	185	54 Å²	54	86%	0.864	28%	0.276	S	S	*	.	S	Bend	trans	-105.7	-13.3	179.9	-57.4	-178	-1.6	0	0	112.8	E288	Q284-E288 PolarHBondContact N-OE2 3.16Å
285	S	84.9	Confident	89.7	Confident	32 Å²	32	53.2 Å²	53.2	22%	0.224	27%	0.273	C	S	.	.	S	Bend	trans	-149.6	161.7	-176.6	65.9	0	0	0	0	112.7	N287 E288 I289	S285-N287 PolarHBondContact O-N 2.99Å; S285-E288 PolarHBondContact O-N 3.33Å; S285-E288 PolarHBondContact OG-N 3.32Å; S285-I289 WeakPolarHBondContact O-CG1 3.43Å; S285-I289 PolarHBondContact O-N 3.37Å
286	E	89.1	Confident	90	Very high	76 Å²	76	49.5 Å²	49.5	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-59.9	-33.1	172.6	64.1	-82.5	-168.9	0	0	112.6	A227 A230 A231 M234 I289 V290	A227-E286 HydrophobicContact CB-CB 4.25Å; A227-E286 VanDerWaalsContact O-CB 3.29Å; A227-E286 WeakPolarHBondContact O-CB 3.23Å; A230-E286 HydrophobicContact CB-CB 4.2Å; A230-E286 HydrophobicContact CB-CG 4.42Å; A231-E286 HydrophobicContact CB-CB 4.21Å; M234-E286 HydrophobicContact SD-CG 4.28Å; E286-I289 PolarHBondContact O-N 2.98Å; E286-V290 WeakPolarHBondContact O-CG2 3Å; E286-V290 PolarHBondContact O-N 3.09Å
287	N	87.1	Confident	90	Very high	52 Å²	52	53.2 Å²	53.2	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-64.5	-43.9	179.1	-72	-43.1	0	0	0	111.2	S285 I289 V290 S291 R510	S285-N287 PolarHBondContact O-N 2.99Å; N287-I289 VanDerWaalsContact C-N 3.28Å; N287-I289 PolarHBondContact O-N 3.22Å; N287-V290 PolarHBondContact O-N 2.92Å; N287-S291 WeakPolarHBondContact O-CB 3.47Å; N287-S291 PolarHBondContact O-N 2.91Å; N287-S291 PolarHBondContact O-OG 2.85Å; N287-R510 WeakPolarHBondContact OD1-CD 3.39Å
288	E	89.7	Confident	89.9	Confident	39 Å²	39	44.9 Å²	44.9	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-39.1	175.8	-74.7	169	-141.9	0	0	112	F283 Q284 S285 F292	F283-E288 VanDerWaalsContact CA-OE2 3.23Å; F283-E288 WeakPolarHBondContact CA-OE2 3.3Å; F283-E288 HydrophobicContact CB-CB 3.98Å; F283-E288 HydrophobicContact CD1-CB 3.96Å; F283-E288 HydrophobicContact CG-CB 4.28Å; Q284-E288 PolarHBondContact N-OE2 3.16Å; S285-E288 PolarHBondContact O-N 3.33Å; S285-E288 PolarHBondContact OG-N 3.32Å; E288-F292 WeakPolarHBondContact O-CB 3.31Å; E288-F292 PolarHBondContact O-N 3.5Å
289	I	92.7	Very high	89.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-45.5	177.6	-57.8	167.6	0	0	0	110.8	L210 M224 A227 Y228 A231 F244 F283 S285 E286 N287 F292 M293	L210-I289 HydrophobicContact CD2-CG2 3.71Å; M224-I289 HydrophobicContact CE-CD1 3.58Å; M224-I289 HydrophobicContact CE-CG1 4.38Å; A227-I289 HydrophobicContact CB-CD1 4.4Å; Y228-I289 HydrophobicContact CD2-CD1 4.32Å; A231-I289 HydrophobicContact CB-CB 3.62Å; A231-I289 HydrophobicContact CB-CD1 4.15Å; A231-I289 HydrophobicContact CB-CG1 4.49Å; A231-I289 HydrophobicContact CB-CG2 3.55Å; F244-I289 HydrophobicContact CE1-CG2 3.61Å; F244-I289 HydrophobicContact CZ-CG2 4.24Å; F283-I289 HydrophobicContact CB-CG1 3.83Å; F283-I289 HydrophobicContact CD2-CB 4.44Å; F283-I289 HydrophobicContact CD2-CG1 3.59Å; F283-I289 HydrophobicContact CE2-CG1 4.42Å; F283-I289 HydrophobicContact CG-CG1 3.87Å; S285-I289 WeakPolarHBondContact O-CG1 3.43Å; S285-I289 PolarHBondContact O-N 3.37Å; E286-I289 PolarHBondContact O-N 2.98Å; N287-I289 VanDerWaalsContact C-N 3.28Å; N287-I289 PolarHBondContact O-N 3.22Å; I289-F292 PolarHBondContact O-N 3.47Å; I289-M293 WeakPolarHBondContact O-CG 2.93Å; I289-M293 PolarHBondContact O-N 3.43Å
290	V	91.3	Very high	89.6	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-48.2	178.2	173.8	0	0	0	0	110.5	A231 M234 I240 E286 N287 F292 M293 A294 V514	A231-V290 HydrophobicContact CB-CG2 3.81Å; M234-V290 HydrophobicContact CB-CG2 3.78Å; M234-V290 HydrophobicContact CE-CG2 4.27Å; M234-V290 HydrophobicContact SD-CG2 4.31Å; I240-V290 HydrophobicContact CD1-CG1 3.59Å; E286-V290 WeakPolarHBondContact O-CG2 3Å; E286-V290 PolarHBondContact O-N 3.09Å; N287-V290 PolarHBondContact O-N 2.92Å; V290-F292 VanDerWaalsContact C-N 3.31Å; V290-F292 PolarHBondContact O-N 3.3Å; V290-M293 PolarHBondContact O-N 3.18Å; V290-A294 WeakPolarHBondContact O-CB 3.45Å; V290-A294 PolarHBondContact O-N 2.76Å; V290-V514 HydrophobicContact CG1-CG2 4.5Å
291	S	89.5	Confident	89.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-41.4	177.2	-61.8	0	0	0	0	112.4	N287 A294 S295 Y505 A509 I513	N287-S291 WeakPolarHBondContact O-CB 3.47Å; N287-S291 PolarHBondContact O-N 2.91Å; N287-S291 PolarHBondContact O-OG 2.85Å; S291-A294 PolarHBondContact O-N 3.32Å; S291-S295 PolarHBondContact O-N 3.37Å; S291-S295 VanDerWaalsContact O-N 3.17Å; S291-Y505 PolarHBondContact O-OH 3.15Å; S291-Y505 VanDerWaalsContact O-OH 3.1Å; S291-A509 VanDerWaalsContact CB-O 3.32Å; S291-A509 WeakPolarHBondContact CB-O 3.44Å; S291-A509 WeakPolarHBondContact OG-CA 3.31Å; S291-A509 WeakPolarHBondContact OG-CB 3.49Å; S291-A509 PolarHBondContact OG-O 3.48Å; S291-I513 WeakPolarHBondContact O-CG2 3.34Å
292	F	92.6	Very high	89.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-51	175.7	172	-100.8	0	0	0	110.8	L210 F269 V281 F283 E288 I289 V290 A294 S295 P296 Y299 F300 Y505	L210-F292 HydrophobicContact CD1-CE1 4.18Å; L210-F292 HydrophobicContact CD2-CD1 4.4Å; F269-F292 HydrophobicContact CB-CE1 3.98Å; F269-F292 HydrophobicContact CB-CZ 3.68Å; F269-F292 HydrophobicContact CD1-CE1 4.41Å; F269-F292 AromaticContact CD1-CZ 3.75Å; F269-F292 HydrophobicContact CD1-CZ 3.75Å; F269-F292 AromaticContact CD2-CE1 3.39Å; F269-F292 HydrophobicContact CD2-CE1 3.39Å; F269-F292 AromaticContact CD2-CZ 3.6Å; F269-F292 HydrophobicContact CD2-CZ 3.6Å; F269-F292 HydrophobicContact CE1-CZ 4.24Å; F269-F292 AromaticContact CE2-CE1 3.87Å; F269-F292 HydrophobicContact CE2-CE1 3.87Å; F269-F292 HydrophobicContact CE2-CZ 4.09Å; F269-F292 AromaticContact CG-CE1 3.67Å; F269-F292 HydrophobicContact CG-CE1 3.67Å; F269-F292 AromaticContact CG-CZ 3.38Å; F269-F292 HydrophobicContact CG-CZ 3.38Å; F269-F292 HydrophobicContact CZ-CZ 4.37Å; V281-F292 HydrophobicContact CG1-CE2 4.08Å; V281-F292 HydrophobicContact CG1-CZ 3.97Å; F283-F292 HydrophobicContact CE1-CB 3.68Å; F283-F292 HydrophobicContact CE1-CD1 4.39Å; F283-F292 AromaticContact CE1-CD2 3.95Å; F283-F292 HydrophobicContact CE1-CD2 3.95Å; F283-F292 AromaticContact CE1-CG 3.74Å; F283-F292 HydrophobicContact CE1-CG 3.74Å; F283-F292 HydrophobicContact CE2-CD1 4.11Å; F283-F292 HydrophobicContact CE2-CG 4.27Å; F283-F292 HydrophobicContact CZ-CB 3.66Å; F283-F292 AromaticContact CZ-CD1 3.52Å; F283-F292 HydrophobicContact CZ-CD1 3.52Å; F283-F292 AromaticContact CZ-CD2 3.7Å; F283-F292 HydrophobicContact CZ-CD2 3.7Å; F283-F292 HydrophobicContact CZ-CE1 4.06Å; F283-F292 HydrophobicContact CZ-CE2 4.22Å; F283-F292 AromaticContact CZ-CG 3.31Å; F283-F292 HydrophobicContact CZ-CG 3.31Å; F283-F292 HydrophobicContact CZ-CZ 4.38Å; E288-F292 WeakPolarHBondContact O-CB 3.31Å; E288-F292 PolarHBondContact O-N 3.5Å; I289-F292 PolarHBondContact O-N 3.47Å; V290-F292 VanDerWaalsContact C-N 3.31Å; V290-F292 PolarHBondContact O-N 3.3Å; F292-A294 VanDerWaalsContact C-N 3.27Å; F292-A294 PolarHBondContact O-N 3.2Å; F292-S295 CarbonylContact O-C 3.57Å; F292-S295 PolarHBondContact O-N 2.96Å; F292-S295 VanDerWaalsContact O-N 3.15Å; F292-P296 HydrophobicContact CE2-CB 4.09Å; F292-P296 HydrophobicContact CZ-CB 4.15Å; F292-P296 WeakPolarHBondContact O-CA 3.27Å; F292-P296 WeakPolarHBondContact O-CD 3.13Å; F292-P296 VanDerWaalsContact O-CG 3.29Å; F292-P296 WeakPolarHBondContact O-CG 3.27Å; F292-Y299 AromaticContact CD2-CD1 3.64Å; F292-Y299 HydrophobicContact CD2-CD1 3.64Å; F292-Y299 HydrophobicContact CD2-CD2 4.11Å; F292-Y299 HydrophobicContact CD2-CE1 4.25Å; F292-Y299 AromaticContact CD2-CG 3.54Å; F292-Y299 HydrophobicContact CD2-CG 3.54Å; F292-Y299 AromaticContact CE2-CD1 3.65Å; F292-Y299 HydrophobicContact CE2-CD1 3.65Å; F292-Y299 HydrophobicContact CE2-CE1 4.22Å; F292-Y299 HydrophobicContact CE2-CG 4.02Å; F292-F300 HydrophobicContact CE2-CD2 4.49Å; F292-F300 AromaticContact CE2-CE2 3.77Å; F292-F300 HydrophobicContact CE2-CE2 3.77Å; F292-F300 HydrophobicContact CE2-CZ 4.04Å; F292-F300 HydrophobicContact CZ-CE2 4.09Å; F292-F300 HydrophobicContact CZ-CZ 4.3Å; F292-Y505 WeakPolarHBondContact CA-OH 3.28Å; F292-Y505 PolarHBondContact N-OH 2.93Å
293	M	91.3	Very high	89.3	Confident	7 Å²	7	36.6 Å²	36.6	3%	0.034	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-29.7	-179.9	-70.9	-62.1	-68.7	0	0	112.9	L210 I240 F244 F269 I289 V290	L210-M293 HydrophobicContact CB-CE 4.29Å; L210-M293 HydrophobicContact CB-SD 3.59Å; L210-M293 VanDerWaalsContact CB-SD 3.59Å; L210-M293 HydrophobicContact CD2-CG 4.19Å; L210-M293 HydrophobicContact CD2-SD 4.05Å; L210-M293 HydrophobicContact CG-SD 4.43Å; I240-M293 VanDerWaalsContact CG2-C 3.48Å; I240-M293 HydrophobicContact CG2-CB 3.85Å; I240-M293 WeakPolarHBondContact CG2-O 3.45Å; F244-M293 HydrophobicContact CD2-CE 4.44Å; F244-M293 HydrophobicContact CE1-CG 4.24Å; F244-M293 HydrophobicContact CE2-CB 4.5Å; F244-M293 HydrophobicContact CE2-CE 4.09Å; F244-M293 HydrophobicContact CE2-CG 4.03Å; F244-M293 HydrophobicContact CZ-CB 4.22Å; F244-M293 HydrophobicContact CZ-CG 3.59Å; F269-M293 HydrophobicContact CD2-SD 4.42Å; F269-M293 HydrophobicContact CE2-SD 4.16Å; I289-M293 WeakPolarHBondContact O-CG 2.93Å; I289-M293 PolarHBondContact O-N 3.43Å; V290-M293 PolarHBondContact O-N 3.18Å
294	A	88.9	Confident	89.4	Confident	30 Å²	30	42.9 Å²	42.9	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-38.3	173.1	0	0	0	0	0	112.7	I240 V290 S291 F292 I513 V514	I240-A294 HydrophobicContact CD1-CB 3.86Å; I240-A294 HydrophobicContact CG1-CB 4.16Å; V290-A294 WeakPolarHBondContact O-CB 3.45Å; V290-A294 PolarHBondContact O-N 2.76Å; S291-A294 PolarHBondContact O-N 3.32Å; F292-A294 VanDerWaalsContact C-N 3.27Å; F292-A294 PolarHBondContact O-N 3.2Å; A294-I513 HydrophobicContact CB-CG2 4.07Å; A294-V514 HydrophobicContact CB-CG2 4.17Å
295	S	87.9	Confident	89.9	Confident	18 Å²	18	36.2 Å²	36.2	13%	0.126	19%	0.187	C	C	.	.			trans	-151.6	81.9	178.3	-162.4	0	0	0	0	113	S291 F292 K297 A298 Y299	S291-S295 PolarHBondContact O-N 3.37Å; S291-S295 VanDerWaalsContact O-N 3.17Å; F292-S295 CarbonylContact O-C 3.57Å; F292-S295 PolarHBondContact O-N 2.96Å; F292-S295 VanDerWaalsContact O-N 3.15Å; S295-K297 VanDerWaalsContact C-N 3.27Å; S295-K297 PolarHBondContact O-N 3.42Å; S295-A298 PolarHBondContact O-N 2.94Å; S295-A298 VanDerWaalsContact O-N 3.09Å; S295-A298 WeakPolarHBondContact OG-CB 3.44Å; S295-Y299 PolarHBondContact O-N 3.37Å
296	P	90.6	Very high	90.2	Very high	12 Å²	12	36.1 Å²	36.1	8%	0.078	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-38.4	179	-25.8	34.3	0	0	0	112.1	F269 M276 F292 A298 Y299 F300	F269-P296 HydrophobicContact CE1-CB 3.72Å; F269-P296 HydrophobicContact CE1-CG 4.12Å; F269-P296 HydrophobicContact CE2-CB 4.42Å; F269-P296 HydrophobicContact CE2-CG 4.02Å; F269-P296 HydrophobicContact CZ-CB 3.61Å; F269-P296 HydrophobicContact CZ-CG 3.47Å; F269-P296 VanDerWaalsContact CZ-CG 3.47Å; M276-P296 HydrophobicContact SD-CB 4.31Å; F292-P296 HydrophobicContact CE2-CB 4.09Å; F292-P296 HydrophobicContact CZ-CB 4.15Å; F292-P296 WeakPolarHBondContact O-CA 3.27Å; F292-P296 WeakPolarHBondContact O-CD 3.13Å; F292-P296 VanDerWaalsContact O-CG 3.29Å; F292-P296 WeakPolarHBondContact O-CG 3.27Å; P296-A298 VanDerWaalsContact C-N 3.3Å; P296-A298 PolarHBondContact O-N 3.18Å; P296-Y299 WeakPolarHBondContact O-CB 3.33Å; P296-Y299 PolarHBondContact O-N 3.12Å; P296-F300 HydrophobicContact CB-CE2 4.46Å; P296-F300 WeakPolarHBondContact O-CD2 3.38Å; P296-F300 PolarHBondContact O-N 3.02Å
297	K	88	Confident	90.2	Very high	110 Å²	110	34.9 Å²	34.9	48%	0.478	18%	0.184	S	C	.	.	H	α-helix	trans	-58.3	-40.4	175.8	-66.8	-171.3	-167.5	177	0	112.6	D274 M276 S295 A301	D274-K297 WeakPolarHBondContact OD1-CE 3.18Å; D274-K297 IonicContact OD1-NZ 2.64Å; D274-K297 PolarHBondContact OD1-NZ 3.12Å; M276-K297 HydrophobicContact CE-CG 4.08Å; S295-K297 VanDerWaalsContact C-N 3.27Å; S295-K297 PolarHBondContact O-N 3.42Å; K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 3.03Å
298	A	87.9	Confident	90.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-40.1	178.4	0	0	0	0	0	111.3	S295 P296 A301 H302 L469 Y505	S295-A298 PolarHBondContact O-N 2.94Å; S295-A298 VanDerWaalsContact O-N 3.09Å; S295-A298 WeakPolarHBondContact OG-CB 3.44Å; P296-A298 VanDerWaalsContact C-N 3.3Å; P296-A298 PolarHBondContact O-N 3.18Å; A298-A301 PolarHBondContact O-N 2.78Å; A298-H302 VanDerWaalsContact O-CB 3.3Å; A298-H302 WeakPolarHBondContact O-CB 3.23Å; A298-H302 PolarHBondContact O-N 2.95Å; A298-L469 HydrophobicContact CB-CD1 4.47Å; A298-L469 HydrophobicContact CB-CD2 4Å; A298-Y505 HydrophobicContact CB-CD2 4.35Å; A298-Y505 HydrophobicContact CB-CE2 4.08Å
299	Y	90.4	Very high	90.6	Very high	26 Å²	26	35.1 Å²	35.1	10%	0.102	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-49	175.6	177.5	-95.4	0	0	0	112.2	V281 R282 F283 F292 S295 P296 H302 L303 Y505	V281-Y299 HydrophobicContact CG1-CE1 4.26Å; R282-Y299 PolarHBondContact O-OH 2.82Å; F283-Y299 HydrophobicContact CD1-CE2 4.38Å; F283-Y299 HydrophobicContact CE1-CD2 4.38Å; F283-Y299 AromaticContact CE1-CE2 3.8Å; F283-Y299 HydrophobicContact CE1-CE2 3.8Å; F283-Y299 AromaticContact CE1-CZ 3.88Å; F292-Y299 AromaticContact CD2-CD1 3.64Å; F292-Y299 HydrophobicContact CD2-CD1 3.64Å; F292-Y299 HydrophobicContact CD2-CD2 4.11Å; F292-Y299 HydrophobicContact CD2-CE1 4.25Å; F292-Y299 AromaticContact CD2-CG 3.54Å; F292-Y299 HydrophobicContact CD2-CG 3.54Å; F292-Y299 AromaticContact CE2-CD1 3.65Å; F292-Y299 HydrophobicContact CE2-CD1 3.65Å; F292-Y299 HydrophobicContact CE2-CE1 4.22Å; F292-Y299 HydrophobicContact CE2-CG 4.02Å; S295-Y299 PolarHBondContact O-N 3.37Å; P296-Y299 WeakPolarHBondContact O-CB 3.33Å; P296-Y299 PolarHBondContact O-N 3.12Å; Y299-H302 WeakPolarHBondContact O-CB 3.08Å; Y299-H302 PolarHBondContact O-N 3.44Å; Y299-L303 HydrophobicContact CD1-CD1 3.94Å; Y299-L303 HydrophobicContact CD1-CG 4.35Å; Y299-L303 HydrophobicContact CE1-CD1 3.32Å; Y299-L303 HydrophobicContact CE1-CG 4.02Å; Y299-L303 WeakPolarHBondContact O-CG 3.23Å; Y299-L303 PolarHBondContact O-N 3.24Å; Y299-Y505 HydrophobicContact CD2-CD1 4.26Å; Y299-Y505 AromaticContact CD2-CE1 3.7Å; Y299-Y505 HydrophobicContact CD2-CE1 3.7Å; Y299-Y505 AromaticContact CD2-CZ 3.86Å
300	F	91.8	Very high	90.4	Very high	44 Å²	44	40.2 Å²	40.2	19%	0.193	21%	0.213	C	C	.	.	H	α-helix	trans	-69.5	-35.4	179.6	-69.8	-65.9	0	0	0	112.7	F269 M276 T279 V281 F292 P296 H302 L303 Q304	F269-F300 HydrophobicContact CD1-CE2 4.02Å; F269-F300 HydrophobicContact CD1-CZ 4.41Å; F269-F300 HydrophobicContact CE1-CE2 4.4Å; M276-F300 HydrophobicContact CE-CB 4.38Å; M276-F300 HydrophobicContact CE-CD2 3.35Å; M276-F300 HydrophobicContact CE-CE2 3.97Å; M276-F300 HydrophobicContact CE-CG 4.19Å; M276-F300 HydrophobicContact SD-CD2 3.43Å; M276-F300 WeakPolarHBondContact SD-CD2 3.33Å; M276-F300 HydrophobicContact SD-CE2 3.35Å; M276-F300 WeakPolarHBondContact SD-CE2 3.46Å; M276-F300 HydrophobicContact SD-CZ 4.44Å; T279-F300 HydrophobicContact CG2-CE1 3.68Å; T279-F300 HydrophobicContact CG2-CZ 3.85Å; V281-F300 HydrophobicContact CG1-CE1 4.17Å; V281-F300 HydrophobicContact CG1-CZ 3.78Å; F292-F300 HydrophobicContact CE2-CD2 4.49Å; F292-F300 AromaticContact CE2-CE2 3.77Å; F292-F300 HydrophobicContact CE2-CE2 3.77Å; F292-F300 HydrophobicContact CE2-CZ 4.04Å; F292-F300 HydrophobicContact CZ-CE2 4.09Å; F292-F300 HydrophobicContact CZ-CZ 4.3Å; P296-F300 HydrophobicContact CB-CE2 4.46Å; P296-F300 WeakPolarHBondContact O-CD2 3.38Å; P296-F300 PolarHBondContact O-N 3.02Å; F300-H302 VanDerWaalsContact C-N 3.33Å; F300-L303 HydrophobicContact CD1-CD1 4.34Å; F300-L303 PolarHBondContact O-N 3.16Å; F300-Q304 WeakPolarHBondContact O-CB 3.22Å; F300-Q304 PolarHBondContact O-N 2.62Å
301	A	91	Very high	90.2	Very high	24 Å²	24	46.3 Å²	46.3	20%	0.198	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-41.3	171.8	0	0	0	0	0	111.4	K297 A298 Q304 I305 T471 V502	K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 3.03Å; A298-A301 PolarHBondContact O-N 2.78Å; A301-Q304 PolarHBondContact O-N 2.87Å; A301-I305 VanDerWaalsContact O-CG1 3.27Å; A301-I305 WeakPolarHBondContact O-CG1 3.14Å; A301-I305 PolarHBondContact O-N 3.4Å; A301-T471 HydrophobicContact CB-CG2 4.49Å; A301-V502 HydrophobicContact CB-CG1 3.71Å
302	H	90.9	Very high	90.4	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.088	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-52.7	173.2	173	68.6	0	0	0	111.5	A298 Y299 F300 Q304 I305 V306 V502 I503 Y505	A298-H302 VanDerWaalsContact O-CB 3.3Å; A298-H302 WeakPolarHBondContact O-CB 3.23Å; A298-H302 PolarHBondContact O-N 2.95Å; Y299-H302 WeakPolarHBondContact O-CB 3.08Å; Y299-H302 PolarHBondContact O-N 3.44Å; F300-H302 VanDerWaalsContact C-N 3.33Å; H302-Q304 VanDerWaalsContact C-N 3.29Å; H302-Q304 PolarHBondContact O-N 3.04Å; H302-I305 PolarHBondContact O-N 2.04Å; H302-I305 VanDerWaalsContact O-N 3.12Å; H302-V306 WeakPolarHBondContact CE1-CG2 3.12Å; H302-V306 WeakPolarHBondContact O-CG2 3.31Å; H302-V306 PolarHBondContact O-N 3.19Å; H302-V502 WeakPolarHBondContact CA-O 3.42Å; H302-V502 WeakPolarHBondContact CB-O 3.23Å; H302-V502 PolarHBondContact ND1-O 3.09Å; H302-I503 PolarHBondContact CE1-O 3.03Å; H302-I503 PolarHBondContact ND1-O 2.94Å; H302-Y505 HydrophobicContact CB-CD2 4.24Å; H302-Y505 HydrophobicContact CB-CG 4.16Å
303	L	90.4	Very high	90.5	Very high	75 Å²	75	56.6 Å²	56.6	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-56.9	-42.7	178.2	-71.4	-175.9	0	0	0	112.2	Y299 F300 S307	Y299-L303 HydrophobicContact CD1-CD1 3.94Å; Y299-L303 HydrophobicContact CD1-CG 4.35Å; Y299-L303 HydrophobicContact CE1-CD1 3.32Å; Y299-L303 HydrophobicContact CE1-CG 4.02Å; Y299-L303 WeakPolarHBondContact O-CG 3.23Å; Y299-L303 PolarHBondContact O-N 3.24Å; F300-L303 HydrophobicContact CD1-CD1 4.34Å; F300-L303 PolarHBondContact O-N 3.16Å; L303-S307 VanDerWaalsContact O-CB 3.26Å; L303-S307 WeakPolarHBondContact O-CB 3.45Å; L303-S307 PolarHBondContact O-N 3.28Å
304	Q	91.4	Very high	90.7	Very high	151 Å²	151	58.2 Å²	58.2	71%	0.706	30%	0.297	S	S	*	.	H	α-helix	trans	-63	-43.2	177.3	-175.3	-179.6	-25.2	0	0	111.7	F300 A301 H302 S308	F300-Q304 WeakPolarHBondContact O-CB 3.22Å; F300-Q304 PolarHBondContact O-N 2.62Å; A301-Q304 PolarHBondContact O-N 2.87Å; H302-Q304 VanDerWaalsContact C-N 3.29Å; H302-Q304 PolarHBondContact O-N 3.04Å; Q304-S308 WeakPolarHBondContact O-CB 3.17Å; Q304-S308 PolarHBondContact O-N 2.97Å
305	I	91.5	Very high	91.1	Very high	45 Å²	45	58.2 Å²	58.2	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-50.4	177.7	-70.2	168.1	0	0	0	110.6	A301 H302 S307 S308 Y309 V502	A301-I305 VanDerWaalsContact O-CG1 3.27Å; A301-I305 WeakPolarHBondContact O-CG1 3.14Å; A301-I305 PolarHBondContact O-N 3.4Å; H302-I305 PolarHBondContact O-N 2.04Å; H302-I305 VanDerWaalsContact O-N 3.12Å; I305-S307 VanDerWaalsContact C-N 3.34Å; I305-S307 PolarHBondContact O-N 2.85Å; I305-S308 WeakPolarHBondContact O-CB 3.26Å; I305-S308 PolarHBondContact O-N 3Å; I305-S308 VanDerWaalsContact O-N 3.12Å; I305-S308 PolarHBondContact O-OG 3.5Å; I305-Y309 HydrophobicContact CG2-CD2 3.86Å; I305-Y309 HydrophobicContact CG2-CE1 4.32Å; I305-Y309 HydrophobicContact CG2-CE2 3.35Å; I305-Y309 PolarHBondContact O-N 3.11Å; I305-V502 HydrophobicContact CD1-CG1 3.87Å
306	V	89.8	Confident	91.4	Very high	29 Å²	29	66.8 Å²	66.8	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-46.6	-179.3	173.3	0	0	0	0	110.8	H302 S308 Y309 E310	H302-V306 WeakPolarHBondContact CE1-CG2 3.12Å; H302-V306 WeakPolarHBondContact O-CG2 3.31Å; H302-V306 PolarHBondContact O-N 3.19Å; V306-S308 VanDerWaalsContact C-N 3.32Å; V306-S308 PolarHBondContact O-N 3.24Å; V306-Y309 PolarHBondContact O-N 3.24Å; V306-Y309 VanDerWaalsContact O-N 3.14Å; V306-E310 PolarHBondContact O-N 2.78Å
307	S	89.7	Confident	91.6	Very high	51 Å²	51	68 Å²	68	36%	0.357	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-41	175.9	177	0	0	0	0	112	L303 I305 Y309 E310 H311	L303-S307 VanDerWaalsContact O-CB 3.26Å; L303-S307 WeakPolarHBondContact O-CB 3.45Å; L303-S307 PolarHBondContact O-N 3.28Å; I305-S307 VanDerWaalsContact C-N 3.34Å; I305-S307 PolarHBondContact O-N 2.85Å; S307-Y309 VanDerWaalsContact C-N 3.26Å; S307-Y309 PolarHBondContact O-N 3.05Å; S307-E310 PolarHBondContact O-N 3.22Å; S307-H311 PolarHBondContact O-CD2 3.37Å; S307-H311 PolarHBondContact O-N 2.85Å; S307-H311 PolarHBondContact OG-CD2 3.34Å
308	S	92.9	Very high	92.1	Very high	64 Å²	64	63.1 Å²	63.1	45%	0.448	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-33.8	176.9	78.3	0	0	0	0	112.9	Q304 I305 V306	Q304-S308 WeakPolarHBondContact O-CB 3.17Å; Q304-S308 PolarHBondContact O-N 2.97Å; I305-S308 WeakPolarHBondContact O-CB 3.26Å; I305-S308 PolarHBondContact O-N 3Å; I305-S308 VanDerWaalsContact O-N 3.12Å; I305-S308 PolarHBondContact O-OG 3.5Å; V306-S308 VanDerWaalsContact C-N 3.32Å; V306-S308 PolarHBondContact O-N 3.24Å
309	Y	93.2	Very high	92.6	Very high	32 Å²	32	66 Å²	66	13%	0.125	34%	0.335	C	S	.	.	H	α-helix	trans	-80.3	-35	177.7	-65.7	-18.5	0	0	0	112.9	I305 V306 S307 H311 I312 G349 I350 Y353	I305-Y309 HydrophobicContact CG2-CD2 3.86Å; I305-Y309 HydrophobicContact CG2-CE1 4.32Å; I305-Y309 HydrophobicContact CG2-CE2 3.35Å; I305-Y309 PolarHBondContact O-N 3.11Å; V306-Y309 PolarHBondContact O-N 3.24Å; V306-Y309 VanDerWaalsContact O-N 3.14Å; S307-Y309 VanDerWaalsContact C-N 3.26Å; S307-Y309 PolarHBondContact O-N 3.05Å; Y309-H311 VanDerWaalsContact C-N 3.35Å; Y309-H311 PolarHBondContact O-N 3.07Å; Y309-I312 WeakPolarHBondContact O-CG2 3.49Å; Y309-I312 PolarHBondContact O-N 3.1Å; Y309-G349 WeakPolarHBondContact CB-O 3.5Å; Y309-I350 HydrophobicContact CD2-CB 4.32Å; Y309-I350 HydrophobicContact CD2-CG1 3.77Å; Y309-I350 HydrophobicContact CE2-CG1 4.23Å; Y309-Y353 HydrophobicContact CD1-CD1 4.27Å; Y309-Y353 AromaticContact CD1-CD2 3.59Å; Y309-Y353 HydrophobicContact CD1-CD2 3.59Å; Y309-Y353 HydrophobicContact CD1-CE2 4.19Å; Y309-Y353 AromaticContact CD1-CG 3.63Å; Y309-Y353 HydrophobicContact CD1-CG 3.63Å; Y309-Y353 HydrophobicContact CD2-CG 4.46Å; Y309-Y353 AromaticContact CE1-CD1 3.82Å; Y309-Y353 HydrophobicContact CE1-CD1 3.82Å; Y309-Y353 AromaticContact CE1-CD2 3.56Å; Y309-Y353 HydrophobicContact CE1-CD2 3.56Å; Y309-Y353 AromaticContact CE1-CE1 4Å; Y309-Y353 HydrophobicContact CE1-CE1 4Å; Y309-Y353 AromaticContact CE1-CE2 3.74Å; Y309-Y353 HydrophobicContact CE1-CE2 3.74Å; Y309-Y353 AromaticContact CE1-CG 3.61Å; Y309-Y353 HydrophobicContact CE1-CG 3.61Å; Y309-Y353 AromaticContact CE1-CZ 3.95Å; Y309-Y353 HydrophobicContact CE2-CD1 4.24Å; Y309-Y353 HydrophobicContact CE2-CG 4.44Å; Y309-Y353 HydrophobicContact CG-CD2 4.43Å; Y309-Y353 HydrophobicContact CG-CG 4.08Å; Y309-Y353 AromaticContact CZ-CD1 3.8Å; Y309-Y353 AromaticContact CZ-CE1 3.97Å
310	E	87	Confident	93	Very high	106 Å²	106	69 Å²	69	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-61.2	-45.3	176.8	-172.7	178.7	178	0	0	111.3	V306 S307 I312	V306-E310 PolarHBondContact O-N 2.78Å; S307-E310 PolarHBondContact O-N 3.22Å; E310-I312 VanDerWaalsContact C-N 3.3Å; E310-I312 PolarHBondContact O-N 3.21Å
311	H	88.5	Confident	93.3	Very high	129 Å²	129	67 Å²	67	60%	0.597	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.9	-178.5	-61.9	-49.5	0	0	0	114.7	S307 Y309	S307-H311 PolarHBondContact O-CD2 3.37Å; S307-H311 PolarHBondContact O-N 2.85Å; S307-H311 PolarHBondContact OG-CD2 3.34Å; Y309-H311 VanDerWaalsContact C-N 3.35Å; Y309-H311 PolarHBondContact O-N 3.07Å
312	I	92.4	Very high	93.6	Very high	62 Å²	62	67.8 Å²	67.8	32%	0.318	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-64.2	140.2	177.6	-155.2	170.3	0	0	0	110.3	Y309 E310 K352 Y353	Y309-I312 WeakPolarHBondContact O-CG2 3.49Å; Y309-I312 PolarHBondContact O-N 3.1Å; E310-I312 VanDerWaalsContact C-N 3.3Å; E310-I312 PolarHBondContact O-N 3.21Å; I312-K352 HydrophobicContact CG2-CD 3.95Å; I312-K352 HydrophobicContact CG2-CG 4.09Å; I312-K352 WeakPolarHBondContact O-CE 3.47Å; I312-K352 PolarHBondContact O-NZ 2.98Å; I312-Y353 HydrophobicContact CD1-CD2 3.76Å; I312-Y353 HydrophobicContact CD1-CE2 4.31Å
313	Q	94.7	Very high	93.9	Very high	155 Å²	155	70.2 Å²	70.2	72%	0.724	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-79.7	151.6	173	-64.6	-58.1	-40.8	0	0	110.6
314	W	96.7	Very high	94.2	Very high	41 Å²	41	73.5 Å²	73.5	16%	0.155	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-64	137	169.6	-74.4	108	0	0	0	109.6	V318 H320 L339 Y341 Y348 K352 F355 A372	W314-V318 HydrophobicContact CD2-CG1 4.31Å; W314-V318 HydrophobicContact CE3-CB 4.19Å; W314-V318 HydrophobicContact CE3-CG1 3.75Å; W314-V318 HydrophobicContact CE3-CG2 4.26Å; W314-V318 HydrophobicContact CZ3-CG1 4.17Å; W314-H320 AromaticContact CD1-CE1 3.34Å; W314-H320 AromaticContact CD1-NE2 3.27Å; W314-H320 VanDerWaalsContact CD1-NE2 3.27Å; W314-H320 AromaticContact CE2-NE2 3.87Å; W314-H320 AromaticContact CG-CE1 3.62Å; W314-H320 AromaticContact CG-NE2 3.86Å; W314-H320 AromaticContact NE1-CE1 3.82Å; W314-H320 AromaticContact NE1-NE2 3.26Å; W314-H320 PolarHBondContact NE1-NE2 2.92Å; W314-L339 HydrophobicContact CH2-CD2 3.84Å; W314-Y341 HydrophobicContact CZ2-CD1 4.33Å; W314-Y341 AromaticContact CZ2-CE1 3.82Å; W314-Y341 HydrophobicContact CZ2-CE1 3.82Å; W314-Y348 HydrophobicContact CZ2-CE2 4.38Å; W314-K352 HydrophobicContact CD2-CG 4.17Å; W314-K352 HydrophobicContact CE3-CG 4.12Å; W314-K352 HydrophobicContact CH2-CB 3.91Å; W314-K352 HydrophobicContact CH2-CG 3.62Å; W314-K352 HydrophobicContact CZ2-CB 4.17Å; W314-K352 HydrophobicContact CZ2-CD 4.17Å; W314-K352 HydrophobicContact CZ2-CG 3.69Å; W314-K352 HydrophobicContact CZ3-CB 4.41Å; W314-K352 HydrophobicContact CZ3-CG 3.84Å; W314-F355 HydrophobicContact CZ3-CD1 4.03Å; W314-A372 HydrophobicContact CH2-CB 4.43Å; W314-A372 HydrophobicContact CZ2-CB 4.39Å
315	P	96	Very high	94.5	Very high	29 Å²	29	67.8 Å²	67.8	19%	0.188	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-59.5	150.2	170.2	-20.1	30.6	0	0	0	111.4	N317 V318 G356	P315-N317 WeakPolarHBondContact CB-OD1 3.49Å; P315-N317 PolarHBondContact O-N 3.25Å; P315-N317 VanDerWaalsContact O-N 3.12Å; P315-V318 HydrophobicContact CB-CG2 4.28Å; P315-V318 HydrophobicContact CG-CG2 4.19Å; P315-V318 PolarHBondContact O-N 2.86Å; P315-G356 WeakPolarHBondContact CG-O 3.44Å
316	E	94.7	Very high	94.8	Very high	198 Å²	198	65.7 Å²	65.7	93%	0.925	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.7	-176.9	-63.5	-174.7	169.7	0	0	113.9	V318	E316-V318 VanDerWaalsContact C-N 3.33Å
317	N	95.9	Very high	95.2	Very high	37 Å²	37	66.2 Å²	66.2	20%	0.198	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4.7	179.2	69.1	-40	0	0	0	114	P315 A359 I363	P315-N317 WeakPolarHBondContact CB-OD1 3.49Å; P315-N317 PolarHBondContact O-N 3.25Å; P315-N317 VanDerWaalsContact O-N 3.12Å; N317-A359 VanDerWaalsContact ND2-C 3.34Å; N317-A359 PolarHBondContact ND2-O 2.99Å; N317-I363 HydrophobicContact CB-CG1 4.5Å
318	V	98.1	Very high	95.6	Very high	8 Å²	8	72 Å²	72	5%	0.048	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.4	166.8	-179.1	0	0	0	0	109	W314 P315 E316 F355 A359 F370 A372	W314-V318 HydrophobicContact CD2-CG1 4.31Å; W314-V318 HydrophobicContact CE3-CB 4.19Å; W314-V318 HydrophobicContact CE3-CG1 3.75Å; W314-V318 HydrophobicContact CE3-CG2 4.26Å; W314-V318 HydrophobicContact CZ3-CG1 4.17Å; P315-V318 HydrophobicContact CB-CG2 4.28Å; P315-V318 HydrophobicContact CG-CG2 4.19Å; P315-V318 PolarHBondContact O-N 2.86Å; E316-V318 VanDerWaalsContact C-N 3.33Å; V318-F355 HydrophobicContact CG1-CE1 4.36Å; V318-A359 HydrophobicContact CG2-CB 3.41Å; V318-A359 VanDerWaalsContact CG2-CB 3.41Å; V318-F370 HydrophobicContact CG2-CB 4.16Å; V318-A372 HydrophobicContact CG1-CB 3.83Å
319	V	97.8	Very high	95.8	Very high	61 Å²	61	70.5 Å²	70.5	37%	0.37	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.5	-176.7	178.1	0	0	0	0	110.8	L321 F369 F370 G371 A372	V319-L321 HydrophobicContact CG1-CD2 4.3Å; V319-L321 PolarHBondContact O-N 3.35Å; V319-F369 HydrophobicContact CB-CE2 3.93Å; V319-F369 HydrophobicContact CB-CZ 3.65Å; V319-F369 HydrophobicContact CG1-CZ 4.13Å; V319-F369 HydrophobicContact CG2-CE2 3.74Å; V319-F369 HydrophobicContact CG2-CZ 4.02Å; V319-F370 PolarHBondContact N-O 2.83Å; V319-G371 CarbonylContact O-C 3.49Å; V319-G371 VanDerWaalsContact O-CA 3.25Å; V319-G371 WeakPolarHBondContact O-CA 3.14Å; V319-A372 PolarHBondContact O-N 3.46Å
320	H	98.3	Very high	96	Very high	89 Å²	89	69 Å²	69	41%	0.412	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	120.2	172.2	-63.9	76.1	0	0	0	110.9	W314 A372	W314-H320 AromaticContact CD1-CE1 3.34Å; W314-H320 AromaticContact CD1-NE2 3.27Å; W314-H320 VanDerWaalsContact CD1-NE2 3.27Å; W314-H320 AromaticContact CE2-NE2 3.87Å; W314-H320 AromaticContact CG-CE1 3.62Å; W314-H320 AromaticContact CG-NE2 3.86Å; W314-H320 AromaticContact NE1-CE1 3.82Å; W314-H320 AromaticContact NE1-NE2 3.26Å; W314-H320 PolarHBondContact NE1-NE2 2.92Å; H320-A372 CarbonylContact C-O 3.52Å; H320-A372 VanDerWaalsContact CA-O 3.3Å; H320-A372 WeakPolarHBondContact CA-O 3.39Å
321	L	98.5	Very high	96.5	Very high	3 Å²	3	72 Å²	72	2%	0.016	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-100	140.7	179.8	-60.8	175.9	0	0	0	110.2	V319 S325 F326 V329 L330 V338 F369 A372 V373	V319-L321 HydrophobicContact CG1-CD2 4.3Å; V319-L321 PolarHBondContact O-N 3.35Å; L321-S325 WeakPolarHBondContact CA-OG 3.31Å; L321-F326 HydrophobicContact CB-CB 4.42Å; L321-F326 HydrophobicContact CB-CD2 4.03Å; L321-F326 HydrophobicContact CD1-CD2 3.72Å; L321-F326 HydrophobicContact CD1-CE2 4.17Å; L321-V329 HydrophobicContact CD2-CB 4.01Å; L321-V329 HydrophobicContact CD2-CG1 4.14Å; L321-V329 HydrophobicContact CD2-CG2 4.15Å; L321-L330 HydrophobicContact CD1-CD1 4.26Å; L321-L330 HydrophobicContact CD1-CD2 4.17Å; L321-L330 HydrophobicContact CD1-CG 4.22Å; L321-V338 HydrophobicContact CD1-CG1 4.11Å; L321-V338 HydrophobicContact CD1-CG2 4.04Å; L321-F369 HydrophobicContact CD1-CE1 4.24Å; L321-F369 HydrophobicContact CD2-CE1 4.35Å; L321-F369 HydrophobicContact CD2-CZ 4.14Å; L321-A372 PolarHBondContact N-O 2.96Å; L321-V373 HydrophobicContact CB-CG2 3.87Å
322	T	98.2	Very high	96.9	Very high	40 Å²	40	69.7 Å²	69.7	25%	0.245	35%	0.35	C	S	.	.			trans	-121.3	171.8	178.4	68.1	0	0	0	0	109.8	E324 S325 F326 E378	T322-E324 VanDerWaalsContact CB-OE2 3.27Å; T322-E324 WeakPolarHBondContact CB-OE2 3.13Å; T322-E324 PolarHBondContact O-N 3.44Å; T322-E324 VanDerWaalsContact O-N 3.16Å; T322-E324 PolarHBondContact OG1-N 3.18Å; T322-E324 PolarHBondContact OG1-OE2 3.46Å; T322-S325 PolarHBondContact N-OG 2.78Å; T322-S325 PolarHBondContact O-N 3.08Å; T322-S325 PolarHBondContact OG1-N 2.81Å; T322-S325 PolarHBondContact OG1-OG 2.79Å; T322-F326 WeakPolarHBondContact O-CB 3.25Å; T322-F326 PolarHBondContact O-N 3.47Å; T322-E378 WeakPolarHBondContact CA-OE2 3.41Å
323	V	96.5	Very high	97	Very high	69 Å²	69	70.3 Å²	70.3	42%	0.418	35%	0.35	S	S	.	.	H	α-helix	trans	-48	-40.8	172.3	167.7	0	0	0	0	112.3	E378 L381	V323-E378 PolarHBondContact N-OE2 3.02Å; V323-L381 HydrophobicContact CG2-CB 3.77Å
324	E	96.6	Very high	96.9	Very high	145 Å²	145	67.8 Å²	67.8	68%	0.678	34%	0.337	S	S	*	.	H	α-helix	trans	-76.6	-38.7	-178.3	-52.4	77.3	-165.3	0	0	112.9	T322	T322-E324 VanDerWaalsContact CB-OE2 3.27Å; T322-E324 WeakPolarHBondContact CB-OE2 3.13Å; T322-E324 PolarHBondContact O-N 3.44Å; T322-E324 VanDerWaalsContact O-N 3.16Å; T322-E324 PolarHBondContact OG1-N 3.18Å; T322-E324 PolarHBondContact OG1-OE2 3.46Å
325	S	98	Very high	96.8	Very high	30 Å²	30	66.1 Å²	66.1	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-89.7	-29.6	-172.4	66.2	0	0	0	0	113.4	L321 T322 S327 K328 V329	L321-S325 WeakPolarHBondContact CA-OG 3.31Å; T322-S325 PolarHBondContact N-OG 2.78Å; T322-S325 PolarHBondContact O-N 3.08Å; T322-S325 PolarHBondContact OG1-N 2.81Å; T322-S325 PolarHBondContact OG1-OG 2.79Å; S325-S327 PolarHBondContact O-N 2.77Å; S325-K328 PolarHBondContact O-N 2.84Å; S325-K328 VanDerWaalsContact O-N 3.15Å; S325-V329 WeakPolarHBondContact O-CB 3.43Å; S325-V329 VanDerWaalsContact O-CG2 3.31Å; S325-V329 WeakPolarHBondContact O-CG2 3.11Å; S325-V329 PolarHBondContact O-N 2.8Å
326	F	98.4	Very high	96.9	Very high	1 Å²	1	64.7 Å²	64.7	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-51.4	-56.4	-172.4	-174.8	-88.9	0	0	0	112.6	L321 T322 K328 L330 V338 F340 V373 L381 R385 Y396 L399	L321-F326 HydrophobicContact CB-CB 4.42Å; L321-F326 HydrophobicContact CB-CD2 4.03Å; L321-F326 HydrophobicContact CD1-CD2 3.72Å; L321-F326 HydrophobicContact CD1-CE2 4.17Å; T322-F326 WeakPolarHBondContact O-CB 3.25Å; T322-F326 PolarHBondContact O-N 3.47Å; F326-K328 PolarHBondContact O-N 3.45Å; F326-L330 HydrophobicContact CD1-CD1 3.89Å; F326-L330 HydrophobicContact CD2-CD1 3.93Å; F326-L330 HydrophobicContact CE1-CD1 3.54Å; F326-L330 HydrophobicContact CE2-CD1 3.6Å; F326-L330 HydrophobicContact CG-CD1 4.07Å; F326-L330 HydrophobicContact CZ-CD1 3.38Å; F326-L330 WeakPolarHBondContact O-CB 3.5Å; F326-L330 VanDerWaalsContact O-CG 3.28Å; F326-L330 WeakPolarHBondContact O-CG 3.5Å; F326-L330 PolarHBondContact O-N 3.48Å; F326-L330 VanDerWaalsContact O-N 3.08Å; F326-V338 HydrophobicContact CE2-CG1 4.2Å; F326-F340 HydrophobicContact CE2-CE1 4.21Å; F326-F340 AromaticContact CE2-CZ 3.74Å; F326-F340 HydrophobicContact CE2-CZ 3.74Å; F326-F340 HydrophobicContact CZ-CZ 4.04Å; F326-V373 HydrophobicContact CD2-CG2 4.24Å; F326-V373 HydrophobicContact CE2-CG2 4.37Å; F326-L381 HydrophobicContact CB-CD1 4.08Å; F326-L381 HydrophobicContact CB-CD2 3.98Å; F326-L381 HydrophobicContact CD1-CD1 4.01Å; F326-L381 HydrophobicContact CD2-CD1 4Å; F326-L381 HydrophobicContact CD2-CD2 3.79Å; F326-L381 HydrophobicContact CD2-CG 4.35Å; F326-L381 HydrophobicContact CE1-CD1 4.43Å; F326-L381 HydrophobicContact CE2-CD1 4.41Å; F326-L381 HydrophobicContact CG-CD1 3.78Å; F326-L381 HydrophobicContact CG-CD2 4.08Å; F326-R385 HydrophobicContact CE1-CG 3.93Å; F326-R385 HydrophobicContact CZ-CB 4.25Å; F326-R385 HydrophobicContact CZ-CG 3.99Å; F326-Y396 HydrophobicContact CZ-CE1 4.26Å; F326-Y396 HydrophobicContact CZ-CE2 4.02Å; F326-Y396 AromaticContact CZ-CZ 3.7Å; F326-L399 HydrophobicContact CD1-CD1 4.41Å; F326-L399 HydrophobicContact CE1-CD1 3.74Å
327	S	97.5	Very high	97	Very high	40 Å²	40	55.3 Å²	55.3	28%	0.28	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-37.7	-177.8	-69.3	0	0	0	0	112.6	S325 R331	S325-S327 PolarHBondContact O-N 2.77Å; S327-R331 WeakPolarHBondContact O-CD 3.34Å; S327-R331 WeakPolarHBondContact O-CG 2.92Å; S327-R331 PolarHBondContact O-N 3.41Å
328	K	97.4	Very high	97.1	Very high	172 Å²	172	53.5 Å²	53.5	75%	0.748	27%	0.268	S	S	*	.	H	α-helix	trans	-65	-45	-178.5	-178.9	-179.5	177	-177.7	0	111	S325 F326	S325-K328 PolarHBondContact O-N 2.84Å; S325-K328 VanDerWaalsContact O-N 3.15Å; F326-K328 PolarHBondContact O-N 3.45Å
329	V	97.8	Very high	97.1	Very high	34 Å²	34	53.2 Å²	53.2	21%	0.206	27%	0.266	C	S	.	.	H	α-helix	trans	-71.7	-54.7	-178.3	176.1	0	0	0	0	110.3	L321 S325 R331 S332 K333 F369	L321-V329 HydrophobicContact CD2-CB 4.01Å; L321-V329 HydrophobicContact CD2-CG1 4.14Å; L321-V329 HydrophobicContact CD2-CG2 4.15Å; S325-V329 WeakPolarHBondContact O-CB 3.43Å; S325-V329 VanDerWaalsContact O-CG2 3.31Å; S325-V329 WeakPolarHBondContact O-CG2 3.11Å; S325-V329 PolarHBondContact O-N 2.8Å; V329-R331 VanDerWaalsContact C-N 3.3Å; V329-R331 PolarHBondContact O-N 3.44Å; V329-S332 PolarHBondContact O-N 3.05Å; V329-S332 VanDerWaalsContact O-N 3.07Å; V329-S332 PolarHBondContact O-OG 3.44Å; V329-K333 HydrophobicContact CG1-CG 4.44Å; V329-F369 HydrophobicContact CG1-CD2 4.48Å; V329-F369 HydrophobicContact CG1-CE1 3.95Å; V329-F369 HydrophobicContact CG1-CE2 3.73Å; V329-F369 HydrophobicContact CG1-CZ 3.41Å; V329-F369 VanDerWaalsContact CG1-CZ 3.41Å
330	L	97.7	Very high	97.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-25.4	-169.7	-64.3	-178.9	0	0	0	114.3	L321 F326 S332 K333 A336 V338 F369 Y396 F398 L399	L321-L330 HydrophobicContact CD1-CD1 4.26Å; L321-L330 HydrophobicContact CD1-CD2 4.17Å; L321-L330 HydrophobicContact CD1-CG 4.22Å; F326-L330 HydrophobicContact CD1-CD1 3.89Å; F326-L330 HydrophobicContact CD2-CD1 3.93Å; F326-L330 HydrophobicContact CE1-CD1 3.54Å; F326-L330 HydrophobicContact CE2-CD1 3.6Å; F326-L330 HydrophobicContact CG-CD1 4.07Å; F326-L330 HydrophobicContact CZ-CD1 3.38Å; F326-L330 WeakPolarHBondContact O-CB 3.5Å; F326-L330 VanDerWaalsContact O-CG 3.28Å; F326-L330 WeakPolarHBondContact O-CG 3.5Å; F326-L330 PolarHBondContact O-N 3.48Å; F326-L330 VanDerWaalsContact O-N 3.08Å; L330-S332 PolarHBondContact O-N 3.34Å; L330-K333 PolarHBondContact O-N 2.91Å; L330-K333 VanDerWaalsContact O-N 3.15Å; L330-A336 HydrophobicContact CD2-CB 3.58Å; L330-V338 HydrophobicContact CD1-CG2 4.14Å; L330-V338 HydrophobicContact CD2-CG2 3.98Å; L330-F369 HydrophobicContact CD2-CD1 3.94Å; L330-F369 HydrophobicContact CD2-CE1 3.92Å; L330-Y396 HydrophobicContact CD1-CD2 4.04Å; L330-Y396 HydrophobicContact CD1-CE2 4.26Å; L330-Y396 HydrophobicContact CD1-CG 4.2Å; L330-F398 CarbonylContact O-C 3.29Å; L330-F398 VanDerWaalsContact O-C 3.29Å; L330-F398 WeakPolarHBondContact O-CA 3.36Å; L330-L399 HydrophobicContact CB-CB 3.96Å; L330-L399 HydrophobicContact CB-CD1 4.3Å; L330-L399 HydrophobicContact CB-CD2 4.47Å; L330-L399 HydrophobicContact CB-CG 4.48Å; L330-L399 HydrophobicContact CD1-CD1 4.17Å; L330-L399 PolarHBondContact O-N 2.95Å
331	R	97.2	Very high	97	Very high	169 Å²	169	46.4 Å²	46.4	64%	0.638	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.6	173.3	-77.5	172.7	-168.1	-95.7	3.1	113.5	S327 V329 L399	S327-R331 WeakPolarHBondContact O-CD 3.34Å; S327-R331 WeakPolarHBondContact O-CG 2.92Å; S327-R331 PolarHBondContact O-N 3.41Å; V329-R331 VanDerWaalsContact C-N 3.3Å; V329-R331 PolarHBondContact O-N 3.44Å; R331-L399 HydrophobicContact CG-CB 4.22Å; R331-L399 HydrophobicContact CG-CD2 3.95Å
332	S	95.8	Very high	96.7	Very high	81 Å²	81	47.5 Å²	47.5	57%	0.566	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.5	-179.8	71.4	0	0	0	0	114	V329 L330	V329-S332 PolarHBondContact O-N 3.05Å; V329-S332 VanDerWaalsContact O-N 3.07Å; V329-S332 PolarHBondContact O-OG 3.44Å; L330-S332 PolarHBondContact O-N 3.34Å
333	K	95.6	Very high	96.4	Very high	74 Å²	74	50 Å²	50	32%	0.322	25%	0.246	S	C	.	.			trans	-107.1	118.1	-171.6	-56	-56.4	-177.5	175.4	0	110.9	V329 L330 A336 F369 F398	V329-K333 HydrophobicContact CG1-CG 4.44Å; L330-K333 PolarHBondContact O-N 2.91Å; L330-K333 VanDerWaalsContact O-N 3.15Å; K333-A336 HydrophobicContact CB-CB 4.02Å; K333-F369 HydrophobicContact CB-CB 4.12Å; K333-F369 HydrophobicContact CD-CB 3.94Å; K333-F369 HydrophobicContact CD-CD2 4.08Å; K333-F369 HydrophobicContact CD-CG 4.1Å; K333-F369 HydrophobicContact CG-CB 3.83Å; K333-F369 HydrophobicContact CG-CD1 4.3Å; K333-F369 HydrophobicContact CG-CD2 4.2Å; K333-F369 HydrophobicContact CG-CG 3.84Å; K333-F398 VanDerWaalsContact O-CA 3.25Å; K333-F398 WeakPolarHBondContact O-CA 3.44Å; K333-F398 PolarHBondContact O-N 3.11Å
334	K	93.2	Very high	95.8	Very high	103 Å²	103	53.1 Å²	53.1	45%	0.448	26%	0.26	S	S	.	.	S	Bend	trans	-66.3	-42.1	177.4	-173.9	-174.8	173.1	-152.9	0	111.8	N397 F398	K334-N397 WeakPolarHBondContact O-CA 3.37Å; K334-N397 PolarHBondContact O-ND2 2.96Å; K334-F398 HydrophobicContact CB-CE1 3.8Å; K334-F398 HydrophobicContact CB-CE2 4.01Å; K334-F398 HydrophobicContact CB-CZ 3.46Å; K334-F398 VanDerWaalsContact CB-CZ 3.46Å; K334-F398 HydrophobicContact CD-CZ 4.38Å; K334-F398 HydrophobicContact CG-CE1 4.42Å; K334-F398 HydrophobicContact CG-CE2 3.73Å; K334-F398 HydrophobicContact CG-CZ 3.6Å
335	H	94.5	Very high	95.3	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.023	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.8	176.5	-54.9	-85	0	0	0	107.6	Q367 V368 F369 Y395 V422	H335-Q367 WeakPolarHBondContact CB-O 3.5Å; H335-V368 HydrophobicContact CB-CG2 4.31Å; H335-F369 PolarHBondContact O-N 2.88Å; H335-Y395 HydrophobicContact CB-CE2 4.08Å; H335-Y395 AromaticContact ND1-CZ 3.81Å; H335-Y395 PolarHBondContact ND1-OH 3.48Å; H335-V422 HydrophobicContact CB-CG2 4.3Å
336	A	96.6	Very high	94.4	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.1	177.1	0	0	0	0	0	110.6	L330 K333 F369 Y395 Y396	L330-A336 HydrophobicContact CD2-CB 3.58Å; K333-A336 HydrophobicContact CB-CB 4.02Å; A336-F369 CarbonylContact C-O 3.5Å; A336-F369 VanDerWaalsContact CA-O 3.25Å; A336-F369 WeakPolarHBondContact CA-O 3.35Å; A336-F369 HydrophobicContact CB-CB 4.07Å; A336-F369 HydrophobicContact CB-CD1 3.89Å; A336-F369 HydrophobicContact CB-CG 4.45Å; A336-Y395 CarbonylContact O-C 3.56Å; A336-Y395 WeakPolarHBondContact O-CA 3.48Å; A336-Y396 PolarHBondContact N-O 3.34Å; A336-Y396 PolarHBondContact O-N 3.43Å
337	M	96.9	Very high	93.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124	173.2	-157.3	176.1	-153.3	0	0	108.2	F355 F369 F370 G371 I393 Y405 L414 Y417 L418	M337-F355 HydrophobicContact CB-CE2 4.4Å; M337-F355 HydrophobicContact CB-CZ 4.47Å; M337-F355 HydrophobicContact CG-CE2 3.93Å; M337-F355 HydrophobicContact CG-CZ 4.45Å; M337-F355 HydrophobicContact SD-CE2 4.11Å; M337-F369 PolarHBondContact N-O 3.32Å; M337-F370 HydrophobicContact CB-CD1 4.39Å; M337-F370 HydrophobicContact CB-CE1 4.48Å; M337-F370 WeakPolarHBondContact O-CA 3.43Å; M337-F370 HydrophobicContact SD-CE1 4.41Å; M337-G371 PolarHBondContact O-N 2.94Å; M337-I393 HydrophobicContact CE-CG2 3.69Å; M337-I393 HydrophobicContact CG-CG2 3.45Å; M337-I393 VanDerWaalsContact CG-CG2 3.45Å; M337-I393 HydrophobicContact SD-CG2 4.18Å; M337-Y405 HydrophobicContact CE-CD1 4.38Å; M337-Y405 HydrophobicContact CE-CD2 4.04Å; M337-Y405 HydrophobicContact CE-CE2 4.32Å; M337-Y405 HydrophobicContact CE-CG 4.07Å; M337-L414 HydrophobicContact CE-CB 4.48Å; M337-L414 HydrophobicContact CE-CD2 3.32Å; M337-L414 HydrophobicContact CE-CG 4.49Å; M337-L414 HydrophobicContact SD-CD2 4.22Å; M337-Y417 HydrophobicContact CE-CD1 4.18Å; M337-L418 HydrophobicContact CB-CD2 4.37Å; M337-L418 HydrophobicContact SD-CD1 3.92Å; M337-L418 HydrophobicContact SD-CD2 4.06Å; M337-L418 HydrophobicContact SD-CG 4.07Å
338	V	98.2	Very high	93.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.6	-175.3	-176.4	0	0	0	0	110.2	L321 F326 L330 F340 G371 V373 I393 N394 Y396	L321-V338 HydrophobicContact CD1-CG1 4.11Å; L321-V338 HydrophobicContact CD1-CG2 4.04Å; F326-V338 HydrophobicContact CE2-CG1 4.2Å; L330-V338 HydrophobicContact CD1-CG2 4.14Å; L330-V338 HydrophobicContact CD2-CG2 3.98Å; V338-F340 HydrophobicContact CB-CE2 4.22Å; V338-F340 HydrophobicContact CG1-CD2 4.37Å; V338-F340 HydrophobicContact CG1-CE2 3.83Å; V338-F340 HydrophobicContact CG1-CZ 4.01Å; V338-G371 CarbonylContact C-O 3.52Å; V338-G371 VanDerWaalsContact CA-O 3.28Å; V338-G371 WeakPolarHBondContact CA-O 3.46Å; V338-V373 HydrophobicContact CG1-CG2 3.94Å; V338-I393 CarbonylContact O-C 3.55Å; V338-I393 WeakPolarHBondContact O-CA 3.27Å; V338-N394 PolarHBondContact N-O 3.04Å; V338-N394 PolarHBondContact O-N 3.15Å; V338-Y396 HydrophobicContact CB-CD2 4.25Å; V338-Y396 HydrophobicContact CB-CE2 3.95Å; V338-Y396 HydrophobicContact CG2-CD2 3.78Å; V338-Y396 HydrophobicContact CG2-CE2 3.88Å
339	L	98.2	Very high	93.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.3	173.7	172.8	65.2	0	0	0	110.5	W314 Y341 V351 F355 G371 A372 V373 P391 I393	W314-L339 HydrophobicContact CH2-CD2 3.84Å; L339-Y341 HydrophobicContact CD2-CD1 4.42Å; L339-Y341 HydrophobicContact CG-CD1 4.36Å; L339-V351 HydrophobicContact CD1-CG1 3.84Å; L339-V351 HydrophobicContact CD2-CG1 4Å; L339-F355 HydrophobicContact CB-CD1 4.09Å; L339-F355 HydrophobicContact CB-CD2 3.95Å; L339-F355 HydrophobicContact CB-CE1 3.94Å; L339-F355 HydrophobicContact CB-CE2 3.8Å; L339-F355 HydrophobicContact CB-CG 4.08Å; L339-F355 HydrophobicContact CB-CZ 3.79Å; L339-F355 HydrophobicContact CD2-CB 3.98Å; L339-F355 HydrophobicContact CD2-CD1 4.12Å; L339-F355 HydrophobicContact CD2-CD2 4.4Å; L339-F355 HydrophobicContact CD2-CG 3.91Å; L339-G371 PolarHBondContact N-O 3.27Å; L339-A372 CarbonylContact O-C 3.57Å; L339-A372 WeakPolarHBondContact O-CA 3.39Å; L339-V373 PolarHBondContact O-N 3.3Å; L339-P391 HydrophobicContact CD1-CB 3.94Å; L339-I393 HydrophobicContact CB-CG1 4.29Å; L339-I393 HydrophobicContact CD1-CD1 4.39Å; L339-I393 HydrophobicContact CD1-CG1 3.68Å
340	F	97.8	Very high	93	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.3	167.4	-61.9	-93.7	0	0	0	108.3	F326 V338 V373 R385 A386 L390 P391 Q392 N394	F326-F340 HydrophobicContact CE2-CE1 4.21Å; F326-F340 AromaticContact CE2-CZ 3.74Å; F326-F340 HydrophobicContact CE2-CZ 3.74Å; F326-F340 HydrophobicContact CZ-CZ 4.04Å; V338-F340 HydrophobicContact CB-CE2 4.22Å; V338-F340 HydrophobicContact CG1-CD2 4.37Å; V338-F340 HydrophobicContact CG1-CE2 3.83Å; V338-F340 HydrophobicContact CG1-CZ 4.01Å; F340-V373 HydrophobicContact CD1-CB 3.67Å; F340-V373 HydrophobicContact CD1-CG1 3.86Å; F340-V373 HydrophobicContact CD1-CG2 4.08Å; F340-V373 HydrophobicContact CE1-CB 3.96Å; F340-V373 HydrophobicContact CE1-CG1 4.1Å; F340-V373 HydrophobicContact CE1-CG2 3.84Å; F340-V373 HydrophobicContact CG-CB 4.41Å; F340-V373 HydrophobicContact CZ-CG2 4.44Å; F340-R385 HydrophobicContact CE1-CB 3.79Å; F340-R385 HydrophobicContact CZ-CB 3.67Å; F340-A386 HydrophobicContact CB-CB 3.88Å; F340-A386 HydrophobicContact CD1-CB 3.84Å; F340-A386 HydrophobicContact CD2-CB 4.45Å; F340-A386 HydrophobicContact CG-CB 3.8Å; F340-L390 HydrophobicContact CB-CD2 3.86Å; F340-L390 WeakPolarHBondContact O-CD2 3.5Å; F340-P391 WeakPolarHBondContact O-CA 3.16Å; F340-Q392 PolarHBondContact N-O 3.27Å; F340-Q392 PolarHBondContact O-N 3.49Å; F340-N394 HydrophobicContact CE2-CB 4.05Å; F340-N394 WeakPolarHBondContact CE2-ND2 3.49Å
341	Y	96.1	Very high	92.8	Very high	8 Å²	8	45.6 Å²	45.6	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	167.2	-174.1	74.9	-90.6	0	0	0	112.2	W314 L339 E343 Y348 A372 V373 N374 C375	W314-Y341 HydrophobicContact CZ2-CD1 4.33Å; W314-Y341 AromaticContact CZ2-CE1 3.82Å; W314-Y341 HydrophobicContact CZ2-CE1 3.82Å; L339-Y341 HydrophobicContact CD2-CD1 4.42Å; L339-Y341 HydrophobicContact CG-CD1 4.36Å; Y341-E343 HydrophobicContact CD2-CG 4.3Å; Y341-E343 HydrophobicContact CE2-CG 3.74Å; Y341-Y348 AromaticContact CD2-CD2 3.5Å; Y341-Y348 HydrophobicContact CD2-CD2 3.5Å; Y341-Y348 AromaticContact CD2-CE2 3.08Å; Y341-Y348 HydrophobicContact CD2-CE2 3.08Å; Y341-Y348 AromaticContact CD2-CZ 3.97Å; Y341-Y348 HydrophobicContact CE2-CD2 4.07Å; Y341-Y348 AromaticContact CE2-CE2 3.22Å; Y341-Y348 HydrophobicContact CE2-CE2 3.22Å; Y341-Y348 AromaticContact CE2-CZ 3.64Å; Y341-Y348 HydrophobicContact CG-CD2 4.18Å; Y341-Y348 AromaticContact CG-CE2 3.83Å; Y341-Y348 HydrophobicContact CG-CE2 3.83Å; Y341-A372 HydrophobicContact CE1-CB 4.04Å; Y341-V373 WeakPolarHBondContact CD1-O 3.4Å; Y341-V373 PolarHBondContact N-O 3.03Å; Y341-N374 HydrophobicContact CE1-CB 4.21Å; Y341-N374 HydrophobicContact CE2-CB 4.09Å; Y341-C375 WeakPolarHBondContact O-CB 3.34Å; Y341-C375 PolarHBondContact O-N 3.24Å
342	T	93.5	Very high	92.8	Very high	25 Å²	25	38.3 Å²	38.3	15%	0.153	21%	0.209	C	C	.	.			trans	-135	148.9	163.4	-178.2	0	0	0	0	108.6	N344 L345 L390	T342-N344 VanDerWaalsContact C-N 3.28Å; T342-N344 PolarHBondContact O-N 3.12Å; T342-L345 HydrophobicContact CG2-CD1 3.74Å; T342-L345 HydrophobicContact CG2-CD2 4.41Å; T342-L345 HydrophobicContact CG2-CG 3.57Å; T342-L390 HydrophobicContact CG2-CD1 4.33Å
343	E	90.7	Very high	92.8	Very high	94 Å²	94	38 Å²	38	44%	0.439	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.2	-173.8	-63.6	176.1	175.7	0	0	112.1	Y341 L345 Y348 N374	Y341-E343 HydrophobicContact CD2-CG 4.3Å; Y341-E343 HydrophobicContact CE2-CG 3.74Å; E343-L345 VanDerWaalsContact C-N 3.26Å; E343-L345 PolarHBondContact O-N 3.22Å; E343-Y348 HydrophobicContact CB-CD1 4.39Å; E343-Y348 HydrophobicContact CB-CE1 4.41Å; E343-Y348 HydrophobicContact CG-CD1 4.37Å; E343-Y348 HydrophobicContact CG-CE1 3.95Å; E343-Y348 HydrophobicContact CG-CE2 4.41Å; E343-N374 PolarHBondContact OE1-ND2 3.31Å
344	N	84.7	Confident	92.8	Very high	133 Å²	133	35.3 Å²	35.3	71%	0.711	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	5	-179.1	-59.4	-25.4	0	0	0	114.1	T342 Q376	T342-N344 VanDerWaalsContact C-N 3.28Å; T342-N344 PolarHBondContact O-N 3.12Å; N344-Q376 PolarHBondContact ND2-OE1 3.12Å
345	L	85	Confident	93.1	Very high	65 Å²	65	30.4 Å²	30.4	34%	0.34	16%	0.163	S	C	.	.	S	Bend	trans	-89.5	135.2	176.4	-68.9	173	0	0	0	110.6	T342 E343 E347 Y348 L390	T342-L345 HydrophobicContact CG2-CD1 3.74Å; T342-L345 HydrophobicContact CG2-CD2 4.41Å; T342-L345 HydrophobicContact CG2-CG 3.57Å; E343-L345 VanDerWaalsContact C-N 3.26Å; E343-L345 PolarHBondContact O-N 3.22Å; L345-E347 PolarHBondContact O-N 3.32Å; L345-E347 VanDerWaalsContact O-N 3.11Å; L345-Y348 WeakPolarHBondContact O-CB 3.33Å; L345-Y348 PolarHBondContact O-N 3.01Å; L345-L390 HydrophobicContact CD1-CB 4.1Å
346	A	79.3	Confident	93.2	Very high	87 Å²	87	30.4 Å²	30.4	72%	0.719	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-31.2	177.7	0	0	0	0	0	113.3
347	E	84	Confident	93.2	Very high	70 Å²	70	31.9 Å²	31.9	33%	0.327	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.6	-179.4	-59.7	-174	161.6	0	0	113.8	L345 G349 I350 V351	L345-E347 PolarHBondContact O-N 3.32Å; L345-E347 VanDerWaalsContact O-N 3.11Å; E347-G349 VanDerWaalsContact C-N 3.32Å; E347-G349 PolarHBondContact O-N 3.2Å; E347-I350 PolarHBondContact O-N 3.03Å; E347-V351 HydrophobicContact CB-CG2 4.43Å; E347-V351 WeakPolarHBondContact O-CG2 3.43Å; E347-V351 PolarHBondContact O-N 2.96Å
348	Y	90.9	Very high	93.2	Very high	19 Å²	19	31.9 Å²	31.9	8%	0.075	18%	0.175	C	C	.	.	H	α-helix	trans	-51.2	-50	-174.4	165.6	-115.4	0	0	0	112.3	W314 Y341 E343 L345 I350 V351 K352	W314-Y348 HydrophobicContact CZ2-CE2 4.38Å; Y341-Y348 AromaticContact CD2-CD2 3.5Å; Y341-Y348 HydrophobicContact CD2-CD2 3.5Å; Y341-Y348 AromaticContact CD2-CE2 3.08Å; Y341-Y348 HydrophobicContact CD2-CE2 3.08Å; Y341-Y348 AromaticContact CD2-CZ 3.97Å; Y341-Y348 HydrophobicContact CE2-CD2 4.07Å; Y341-Y348 AromaticContact CE2-CE2 3.22Å; Y341-Y348 HydrophobicContact CE2-CE2 3.22Å; Y341-Y348 AromaticContact CE2-CZ 3.64Å; Y341-Y348 HydrophobicContact CG-CD2 4.18Å; Y341-Y348 AromaticContact CG-CE2 3.83Å; Y341-Y348 HydrophobicContact CG-CE2 3.83Å; E343-Y348 HydrophobicContact CB-CD1 4.39Å; E343-Y348 HydrophobicContact CB-CE1 4.41Å; E343-Y348 HydrophobicContact CG-CD1 4.37Å; E343-Y348 HydrophobicContact CG-CE1 3.95Å; E343-Y348 HydrophobicContact CG-CE2 4.41Å; L345-Y348 WeakPolarHBondContact O-CB 3.33Å; L345-Y348 PolarHBondContact O-N 3.01Å; Y348-I350 VanDerWaalsContact C-N 3.34Å; Y348-I350 PolarHBondContact O-N 3.48Å; Y348-V351 PolarHBondContact O-N 3.38Å; Y348-K352 HydrophobicContact CE1-CD 4.19Å; Y348-K352 HydrophobicContact CE2-CB 4.17Å; Y348-K352 HydrophobicContact CE2-CD 4.38Å; Y348-K352 VanDerWaalsContact O-CB 3.27Å; Y348-K352 WeakPolarHBondContact O-CB 3.45Å; Y348-K352 PolarHBondContact O-N 2.06Å
349	G	93.5	Very high	93.2	Very high	6 Å²	6	31.9 Å²	31.9	6%	0.062	18%	0.175	C	C	.	.	H	α-helix	trans	-57.1	-45.8	178.7	0	0	0	0	0	112.2	Y309 E347 K352 Y353	Y309-G349 WeakPolarHBondContact CB-O 3.5Å; E347-G349 VanDerWaalsContact C-N 3.32Å; E347-G349 PolarHBondContact O-N 3.2Å; G349-K352 PolarHBondContact O-N 3.1Å; G349-Y353 WeakPolarHBondContact O-CB 3.39Å; G349-Y353 PolarHBondContact O-N 3.49Å
350	I	92.9	Very high	93.1	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.046	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-47.3	179.2	-61.6	165.4	0	0	0	110.5	Y309 E347 Y348 Y353 Q354 I503 Y504	Y309-I350 HydrophobicContact CD2-CB 4.32Å; Y309-I350 HydrophobicContact CD2-CG1 3.77Å; Y309-I350 HydrophobicContact CE2-CG1 4.23Å; E347-I350 PolarHBondContact O-N 3.03Å; Y348-I350 VanDerWaalsContact C-N 3.34Å; Y348-I350 PolarHBondContact O-N 3.48Å; I350-Y353 WeakPolarHBondContact O-CB 3.12Å; I350-Y353 PolarHBondContact O-N 3.4Å; I350-Q354 HydrophobicContact CG2-CG 4.45Å; I350-Q354 WeakPolarHBondContact O-CG 3.45Å; I350-Q354 PolarHBondContact O-N 3.46Å; I350-I503 HydrophobicContact CD1-CG2 3.93Å; I350-I503 HydrophobicContact CG1-CG2 4.34Å; I350-I503 HydrophobicContact CG2-CG2 4.36Å; I350-Y504 HydrophobicContact CD1-CD1 4.35Å; I350-Y504 HydrophobicContact CD1-CE1 4.07Å; I350-Y504 HydrophobicContact CG2-CE1 4.12Å
351	V	95	Very high	93	Very high	8 Å²	8	38 Å²	38	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-42.5	-178.8	175.6	0	0	0	0	111.3	L339 E347 Y348 Y353 Q354 F355 P391 F409	L339-V351 HydrophobicContact CD1-CG1 3.84Å; L339-V351 HydrophobicContact CD2-CG1 4Å; E347-V351 HydrophobicContact CB-CG2 4.43Å; E347-V351 WeakPolarHBondContact O-CG2 3.43Å; E347-V351 PolarHBondContact O-N 2.96Å; Y348-V351 PolarHBondContact O-N 3.38Å; V351-Y353 VanDerWaalsContact C-N 3.34Å; V351-Y353 PolarHBondContact O-N 2.82Å; V351-Q354 PolarHBondContact O-N 3.38Å; V351-F355 VanDerWaalsContact O-CB 3.29Å; V351-F355 WeakPolarHBondContact O-CB 3.36Å; V351-F355 PolarHBondContact O-N 3.43Å; V351-P391 HydrophobicContact CB-CG 4.29Å; V351-P391 HydrophobicContact CG1-CB 4.07Å; V351-P391 HydrophobicContact CG1-CG 4Å; V351-P391 HydrophobicContact CG2-CG 3.77Å; V351-F409 HydrophobicContact CG1-CD2 4.1Å; V351-F409 HydrophobicContact CG2-CD2 4.06Å
352	K	96.4	Very high	92.9	Very high	17 Å²	17	37.9 Å²	37.9	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-56.2	-47.7	172.1	174.3	-176.5	-169.9	-178.4	0	111.4	I312 W314 Y348 G349 G356	I312-K352 HydrophobicContact CG2-CD 3.95Å; I312-K352 HydrophobicContact CG2-CG 4.09Å; I312-K352 WeakPolarHBondContact O-CE 3.47Å; I312-K352 PolarHBondContact O-NZ 2.98Å; W314-K352 HydrophobicContact CD2-CG 4.17Å; W314-K352 HydrophobicContact CE3-CG 4.12Å; W314-K352 HydrophobicContact CH2-CB 3.91Å; W314-K352 HydrophobicContact CH2-CG 3.62Å; W314-K352 HydrophobicContact CZ2-CB 4.17Å; W314-K352 HydrophobicContact CZ2-CD 4.17Å; W314-K352 HydrophobicContact CZ2-CG 3.69Å; W314-K352 HydrophobicContact CZ3-CB 4.41Å; W314-K352 HydrophobicContact CZ3-CG 3.84Å; Y348-K352 HydrophobicContact CE1-CD 4.19Å; Y348-K352 HydrophobicContact CE2-CB 4.17Å; Y348-K352 HydrophobicContact CE2-CD 4.38Å; Y348-K352 VanDerWaalsContact O-CB 3.27Å; Y348-K352 WeakPolarHBondContact O-CB 3.45Å; Y348-K352 PolarHBondContact O-N 2.06Å; G349-K352 PolarHBondContact O-N 3.1Å; K352-G356 PolarHBondContact O-N 3.37Å
353	Y	96.1	Very high	92.8	Very high	73 Å²	73	41.6 Å²	41.6	29%	0.286	24%	0.235	S	C	.	.	H	α-helix	trans	-59.6	-48.8	178.5	170.8	-95.8	0	0	0	111.9	Y309 I312 G349 I350 V351 S357	Y309-Y353 HydrophobicContact CD1-CD1 4.27Å; Y309-Y353 AromaticContact CD1-CD2 3.59Å; Y309-Y353 HydrophobicContact CD1-CD2 3.59Å; Y309-Y353 HydrophobicContact CD1-CE2 4.19Å; Y309-Y353 AromaticContact CD1-CG 3.63Å; Y309-Y353 HydrophobicContact CD1-CG 3.63Å; Y309-Y353 HydrophobicContact CD2-CG 4.46Å; Y309-Y353 AromaticContact CE1-CD1 3.82Å; Y309-Y353 HydrophobicContact CE1-CD1 3.82Å; Y309-Y353 AromaticContact CE1-CD2 3.56Å; Y309-Y353 HydrophobicContact CE1-CD2 3.56Å; Y309-Y353 AromaticContact CE1-CE1 4Å; Y309-Y353 HydrophobicContact CE1-CE1 4Å; Y309-Y353 AromaticContact CE1-CE2 3.74Å; Y309-Y353 HydrophobicContact CE1-CE2 3.74Å; Y309-Y353 AromaticContact CE1-CG 3.61Å; Y309-Y353 HydrophobicContact CE1-CG 3.61Å; Y309-Y353 AromaticContact CE1-CZ 3.95Å; Y309-Y353 HydrophobicContact CE2-CD1 4.24Å; Y309-Y353 HydrophobicContact CE2-CG 4.44Å; Y309-Y353 HydrophobicContact CG-CD2 4.43Å; Y309-Y353 HydrophobicContact CG-CG 4.08Å; Y309-Y353 AromaticContact CZ-CD1 3.8Å; Y309-Y353 AromaticContact CZ-CE1 3.97Å; I312-Y353 HydrophobicContact CD1-CD2 3.76Å; I312-Y353 HydrophobicContact CD1-CE2 4.31Å; G349-Y353 WeakPolarHBondContact O-CB 3.39Å; G349-Y353 PolarHBondContact O-N 3.49Å; I350-Y353 WeakPolarHBondContact O-CB 3.12Å; I350-Y353 PolarHBondContact O-N 3.4Å; V351-Y353 VanDerWaalsContact C-N 3.34Å; V351-Y353 PolarHBondContact O-N 2.82Å; Y353-S357 WeakPolarHBondContact O-CB 3.32Å; Y353-S357 PolarHBondContact O-N 3.17Å; Y353-S357 PolarHBondContact O-OG 3.19Å
354	Q	96.3	Very high	92.8	Very high	18 Å²	18	45.6 Å²	45.6	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-68.6	-43	-177.7	-61	-70	-14	0	0	112.3	I350 V351 S357 T358 F409 T411	I350-Q354 HydrophobicContact CG2-CG 4.45Å; I350-Q354 WeakPolarHBondContact O-CG 3.45Å; I350-Q354 PolarHBondContact O-N 3.46Å; V351-Q354 PolarHBondContact O-N 3.38Å; Q354-S357 PolarHBondContact O-N 2.92Å; Q354-T358 PolarHBondContact O-N 2.86Å; Q354-T358 PolarHBondContact O-OG1 3.11Å; Q354-F409 WeakPolarHBondContact CB-O 3.34Å; Q354-F409 WeakPolarHBondContact CG-O 3.34Å; Q354-T411 PolarHBondContact O-OG1 2.78Å; Q354-T411 PolarHBondContact OE1-OG1 2.71Å
355	F	97.7	Very high	92.7	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-44.1	177.7	-169.9	-95.5	0	0	0	111.5	W314 V318 M337 L339 V351 T358 A359 F370 I393	W314-F355 HydrophobicContact CZ3-CD1 4.03Å; V318-F355 HydrophobicContact CG1-CE1 4.36Å; M337-F355 HydrophobicContact CB-CE2 4.4Å; M337-F355 HydrophobicContact CB-CZ 4.47Å; M337-F355 HydrophobicContact CG-CE2 3.93Å; M337-F355 HydrophobicContact CG-CZ 4.45Å; M337-F355 HydrophobicContact SD-CE2 4.11Å; L339-F355 HydrophobicContact CB-CD1 4.09Å; L339-F355 HydrophobicContact CB-CD2 3.95Å; L339-F355 HydrophobicContact CB-CE1 3.94Å; L339-F355 HydrophobicContact CB-CE2 3.8Å; L339-F355 HydrophobicContact CB-CG 4.08Å; L339-F355 HydrophobicContact CB-CZ 3.79Å; L339-F355 HydrophobicContact CD2-CB 3.98Å; L339-F355 HydrophobicContact CD2-CD1 4.12Å; L339-F355 HydrophobicContact CD2-CD2 4.4Å; L339-F355 HydrophobicContact CD2-CG 3.91Å; V351-F355 VanDerWaalsContact O-CB 3.29Å; V351-F355 WeakPolarHBondContact O-CB 3.36Å; V351-F355 PolarHBondContact O-N 3.43Å; F355-T358 WeakPolarHBondContact O-CB 3Å; F355-T358 PolarHBondContact O-N 2.98Å; F355-A359 PolarHBondContact O-N 3.47Å; F355-F370 HydrophobicContact CE1-CB 4.24Å; F355-F370 HydrophobicContact CE1-CD1 4.05Å; F355-F370 HydrophobicContact CE2-CD1 4.37Å; F355-F370 HydrophobicContact CZ-CB 4.47Å; F355-F370 AromaticContact CZ-CD1 3.87Å; F355-F370 HydrophobicContact CZ-CD1 3.87Å; F355-I393 HydrophobicContact CD2-CD1 3.83Å; F355-I393 HydrophobicContact CD2-CG1 4.34Å; F355-I393 HydrophobicContact CE2-CD1 4.19Å; F355-I393 HydrophobicContact CE2-CG1 4.35Å; F355-I393 HydrophobicContact CE2-CG2 4.29Å
356	G	97.6	Very high	92.4	Very high	5 Å²	5	52 Å²	52	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-42.8	175.2	0	0	0	0	0	112.6	P315 K352 T358 A359 T360	P315-G356 WeakPolarHBondContact CG-O 3.44Å; K352-G356 PolarHBondContact O-N 3.37Å; G356-T358 VanDerWaalsContact C-N 3.29Å; G356-T358 PolarHBondContact O-N 2.94Å; G356-A359 WeakPolarHBondContact O-CB 3.13Å; G356-A359 PolarHBondContact O-N 2.73Å; G356-A359 VanDerWaalsContact O-N 3.14Å; G356-T360 PolarHBondContact O-N 3.29Å; G356-T360 PolarHBondContact O-OG1 3.09Å; G356-T360 VanDerWaalsContact O-OG1 3.11Å
357	S	96.8	Very high	92.7	Very high	31 Å²	31	53 Å²	53	22%	0.217	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-38.7	175.7	-62.7	0	0	0	0	111.8	Y353 Q354 T360 A361 T411	Y353-S357 WeakPolarHBondContact O-CB 3.32Å; Y353-S357 PolarHBondContact O-N 3.17Å; Y353-S357 PolarHBondContact O-OG 3.19Å; Q354-S357 PolarHBondContact O-N 2.92Å; S357-T360 PolarHBondContact O-N 3.18Å; S357-A361 PolarHBondContact O-N 2.92Å; S357-T411 WeakPolarHBondContact CB-OG1 3.31Å
358	T	97.3	Very high	93.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-47.3	171.9	-52.5	0	0	0	0	110.8	Q354 F355 G356 T360 A361 F362 F370 T411 L414 L418	Q354-T358 PolarHBondContact O-N 2.86Å; Q354-T358 PolarHBondContact O-OG1 3.11Å; F355-T358 WeakPolarHBondContact O-CB 3Å; F355-T358 PolarHBondContact O-N 2.98Å; G356-T358 VanDerWaalsContact C-N 3.29Å; G356-T358 PolarHBondContact O-N 2.94Å; T358-T360 VanDerWaalsContact C-N 3.32Å; T358-T360 PolarHBondContact O-N 3.35Å; T358-A361 WeakPolarHBondContact O-CB 3.38Å; T358-A361 PolarHBondContact O-N 2.85Å; T358-A361 VanDerWaalsContact O-N 3.15Å; T358-F362 HydrophobicContact CG2-CD2 4.33Å; T358-F362 HydrophobicContact CG2-CE2 4.33Å; T358-F362 WeakPolarHBondContact O-CD2 3.29Å; T358-F362 PolarHBondContact O-N 2.79Å; T358-F370 HydrophobicContact CG2-CE1 3.89Å; T358-F370 HydrophobicContact CG2-CZ 4.14Å; T358-T411 WeakPolarHBondContact OG1-CA 3.42Å; T358-L414 HydrophobicContact CG2-CB 3.77Å; T358-L414 WeakPolarHBondContact OG1-CD1 3.37Å; T358-L418 HydrophobicContact CG2-CD1 3.89Å
359	A	97.8	Very high	93.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-46.9	177.4	0	0	0	0	0	111.5	N317 V318 F355 G356 A361 F362 I363 F370	N317-A359 VanDerWaalsContact ND2-C 3.34Å; N317-A359 PolarHBondContact ND2-O 2.99Å; V318-A359 HydrophobicContact CG2-CB 3.41Å; V318-A359 VanDerWaalsContact CG2-CB 3.41Å; F355-A359 PolarHBondContact O-N 3.47Å; G356-A359 WeakPolarHBondContact O-CB 3.13Å; G356-A359 PolarHBondContact O-N 2.73Å; G356-A359 VanDerWaalsContact O-N 3.14Å; A359-A361 VanDerWaalsContact C-N 3.3Å; A359-A361 PolarHBondContact O-N 2.93Å; A359-F362 CarbonylContact O-C 3.53Å; A359-F362 PolarHBondContact O-N 2.88Å; A359-I363 PolarHBondContact O-N 2.75Å; A359-F370 HydrophobicContact CB-CB 3.92Å; A359-F370 HydrophobicContact CB-CD1 3.65Å; A359-F370 HydrophobicContact CB-CD2 3.87Å; A359-F370 HydrophobicContact CB-CE1 4.09Å; A359-F370 HydrophobicContact CB-CE2 4.3Å; A359-F370 HydrophobicContact CB-CG 3.52Å; A359-F370 HydrophobicContact CB-CZ 4.39Å
360	T	96.3	Very high	93.7	Very high	73 Å²	73	50.2 Å²	50.2	45%	0.448	24%	0.244	S	C	.	.	H	α-helix	trans	-58.6	-40	177.1	-58.8	0	0	0	0	112.2	G356 S357 T358 F362 I363	G356-T360 PolarHBondContact O-N 3.29Å; G356-T360 PolarHBondContact O-OG1 3.09Å; G356-T360 VanDerWaalsContact O-OG1 3.11Å; S357-T360 PolarHBondContact O-N 3.18Å; T358-T360 VanDerWaalsContact C-N 3.32Å; T358-T360 PolarHBondContact O-N 3.35Å; T360-F362 PolarHBondContact O-N 3.28Å; T360-I363 WeakPolarHBondContact O-CB 3.3Å; T360-I363 WeakPolarHBondContact O-CG2 3.31Å; T360-I363 PolarHBondContact O-N 2.84Å
361	A	95	Very high	94	Very high	56 Å²	56	49.8 Å²	49.8	46%	0.463	24%	0.242	S	C	.	.	H	α-helix	trans	-64.2	-20.6	177.6	0	0	0	0	0	113.6	S357 T358 A359	S357-A361 PolarHBondContact O-N 2.92Å; T358-A361 WeakPolarHBondContact O-CB 3.38Å; T358-A361 PolarHBondContact O-N 2.85Å; T358-A361 VanDerWaalsContact O-N 3.15Å; A359-A361 VanDerWaalsContact C-N 3.3Å; A359-A361 PolarHBondContact O-N 2.93Å
362	F	94.8	Very high	94.2	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.026	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	17.4	178.6	-77.5	-100.2	0	0	0	112.8	T358 A359 T360 E364 E365 V368 F370 L418 Y419	T358-F362 HydrophobicContact CG2-CD2 4.33Å; T358-F362 HydrophobicContact CG2-CE2 4.33Å; T358-F362 WeakPolarHBondContact O-CD2 3.29Å; T358-F362 PolarHBondContact O-N 2.79Å; A359-F362 CarbonylContact O-C 3.53Å; A359-F362 PolarHBondContact O-N 2.88Å; T360-F362 PolarHBondContact O-N 3.28Å; F362-E364 VanDerWaalsContact C-N 3.29Å; F362-E364 PolarHBondContact O-N 2.95Å; F362-E365 HydrophobicContact CB-CB 4.22Å; F362-E365 HydrophobicContact CD1-CB 3.82Å; F362-E365 HydrophobicContact CD1-CG 4.06Å; F362-E365 HydrophobicContact CG-CB 4.45Å; F362-E365 PolarHBondContact O-N 3.1Å; F362-V368 HydrophobicContact CD1-CB 4.36Å; F362-V368 HydrophobicContact CD1-CG2 3.97Å; F362-V368 HydrophobicContact CE1-CG2 4.35Å; F362-F370 HydrophobicContact CB-CE2 3.61Å; F362-F370 HydrophobicContact CB-CZ 3.92Å; F362-F370 HydrophobicContact CD2-CZ 4.16Å; F362-F370 HydrophobicContact CG-CE2 4.24Å; F362-F370 HydrophobicContact CG-CZ 4.11Å; F362-L418 HydrophobicContact CD2-CD1 4.26Å; F362-L418 HydrophobicContact CE1-CB 3.92Å; F362-L418 HydrophobicContact CE2-CB 4.22Å; F362-L418 HydrophobicContact CE2-CD1 4.03Å; F362-L418 HydrophobicContact CZ-CB 3.59Å; F362-L418 HydrophobicContact CZ-CD1 4.16Å; F362-Y419 HydrophobicContact CE1-CD1 4.1Å; F362-Y419 AromaticContact CE1-CE1 3.86Å; F362-Y419 HydrophobicContact CE1-CE1 3.86Å; F362-Y419 HydrophobicContact CE2-CE2 4.28Å; F362-Y419 AromaticContact CZ-CD1 4Å; F362-Y419 HydrophobicContact CZ-CD1 4Å; F362-Y419 HydrophobicContact CZ-CD2 4.05Å; F362-Y419 AromaticContact CZ-CE1 3.77Å; F362-Y419 HydrophobicContact CZ-CE1 3.77Å; F362-Y419 AromaticContact CZ-CE2 3.82Å; F362-Y419 HydrophobicContact CZ-CE2 3.82Å; F362-Y419 HydrophobicContact CZ-CG 4.12Å; F362-Y419 AromaticContact CZ-CZ 3.67Å
363	I	91.4	Very high	94.3	Very high	102 Å²	102	48.6 Å²	48.6	52%	0.523	24%	0.236	S	C	.	.	S	Bend	trans	-61.7	-35.9	-177.3	-162.2	166.6	0	0	0	113.1	N317 A359 T360	N317-I363 HydrophobicContact CB-CG1 4.5Å; A359-I363 PolarHBondContact O-N 2.75Å; T360-I363 WeakPolarHBondContact O-CB 3.3Å; T360-I363 WeakPolarHBondContact O-CG2 3.31Å; T360-I363 PolarHBondContact O-N 2.84Å
364	E	89.1	Confident	94.3	Very high	179 Å²	179	46.2 Å²	46.2	84%	0.836	23%	0.228	S	C	*	.	S	Bend	trans	-80.1	-21.7	176.8	-59.1	-171.6	163.5	0	0	112	F362 R366	F362-E364 VanDerWaalsContact C-N 3.29Å; F362-E364 PolarHBondContact O-N 2.95Å; E364-R366 PolarHBondContact O-N 3.05Å; E364-R366 VanDerWaalsContact O-N 3.08Å
365	E	83.5	Confident	94.3	Very high	89 Å²	89	46.1 Å²	46.1	42%	0.416	23%	0.23	S	C	.	.			trans	-85.2	77.4	-178.7	-67.5	-68.9	-174.5	0	0	111.3	F362 Q367 V368	F362-E365 HydrophobicContact CB-CB 4.22Å; F362-E365 HydrophobicContact CD1-CB 3.82Å; F362-E365 HydrophobicContact CD1-CG 4.06Å; F362-E365 HydrophobicContact CG-CB 4.45Å; F362-E365 PolarHBondContact O-N 3.1Å; E365-Q367 PolarHBondContact O-N 2.57Å; E365-V368 PolarHBondContact O-N 3.13Å; E365-V368 VanDerWaalsContact O-N 3.17Å
366	R	77.7	Confident	94.1	Very high	242 Å²	242	51.4 Å²	51.4	91%	0.913	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-5.6	-176.5	-60.9	-174.5	-179.3	-169	-0.1	115.5	E364	E364-R366 PolarHBondContact O-N 3.05Å; E364-R366 VanDerWaalsContact O-N 3.08Å
367	Q	86.2	Confident	94	Very high	108 Å²	108	55.2 Å²	55.2	51%	0.505	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-24.3	179.9	-58.5	-167.5	5.7	0	0	113.2	H335 E365	H335-Q367 WeakPolarHBondContact CB-O 3.5Å; E365-Q367 PolarHBondContact O-N 2.57Å
368	V	94.8	Very high	94	Very high	15 Å²	15	55.2 Å²	55.2	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.5	-176.6	-171.5	0	0	0	0	110.4	H335 F362 E365 F370 L418 V422	H335-V368 HydrophobicContact CB-CG2 4.31Å; F362-V368 HydrophobicContact CD1-CB 4.36Å; F362-V368 HydrophobicContact CD1-CG2 3.97Å; F362-V368 HydrophobicContact CE1-CG2 4.35Å; E365-V368 PolarHBondContact O-N 3.13Å; E365-V368 VanDerWaalsContact O-N 3.17Å; V368-F370 HydrophobicContact CB-CE2 4.08Å; V368-F370 HydrophobicContact CG1-CD2 4.22Å; V368-F370 HydrophobicContact CG1-CE2 3.58Å; V368-F370 HydrophobicContact CG1-CZ 3.87Å; V368-L418 HydrophobicContact CG1-CD1 4.16Å; V368-L418 HydrophobicContact CG1-CD2 3.89Å; V368-V422 HydrophobicContact CG2-CG2 3.48Å; V368-V422 VanDerWaalsContact CG2-CG2 3.48Å
369	F	97.4	Very high	93.8	Very high	21 Å²	21	57.6 Å²	57.6	9%	0.092	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135	174.9	175.2	-92	0	0	0	110.7	V319 L321 V329 L330 K333 H335 A336 M337	V319-F369 HydrophobicContact CB-CE2 3.93Å; V319-F369 HydrophobicContact CB-CZ 3.65Å; V319-F369 HydrophobicContact CG1-CZ 4.13Å; V319-F369 HydrophobicContact CG2-CE2 3.74Å; V319-F369 HydrophobicContact CG2-CZ 4.02Å; L321-F369 HydrophobicContact CD1-CE1 4.24Å; L321-F369 HydrophobicContact CD2-CE1 4.35Å; L321-F369 HydrophobicContact CD2-CZ 4.14Å; V329-F369 HydrophobicContact CG1-CD2 4.48Å; V329-F369 HydrophobicContact CG1-CE1 3.95Å; V329-F369 HydrophobicContact CG1-CE2 3.73Å; V329-F369 HydrophobicContact CG1-CZ 3.41Å; V329-F369 VanDerWaalsContact CG1-CZ 3.41Å; L330-F369 HydrophobicContact CD2-CD1 3.94Å; L330-F369 HydrophobicContact CD2-CE1 3.92Å; K333-F369 HydrophobicContact CB-CB 4.12Å; K333-F369 HydrophobicContact CD-CB 3.94Å; K333-F369 HydrophobicContact CD-CD2 4.08Å; K333-F369 HydrophobicContact CD-CG 4.1Å; K333-F369 HydrophobicContact CG-CB 3.83Å; K333-F369 HydrophobicContact CG-CD1 4.3Å; K333-F369 HydrophobicContact CG-CD2 4.2Å; K333-F369 HydrophobicContact CG-CG 3.84Å; H335-F369 PolarHBondContact O-N 2.88Å; A336-F369 CarbonylContact C-O 3.5Å; A336-F369 VanDerWaalsContact CA-O 3.25Å; A336-F369 WeakPolarHBondContact CA-O 3.35Å; A336-F369 HydrophobicContact CB-CB 4.07Å; A336-F369 HydrophobicContact CB-CD1 3.89Å; A336-F369 HydrophobicContact CB-CG 4.45Å; M337-F369 PolarHBondContact N-O 3.32Å
370	F	98.5	Very high	93.6	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.4	175.1	-67.5	-97.1	0	0	0	110.1	V318 V319 M337 F355 T358 A359 F362 V368 L418	V318-F370 HydrophobicContact CG2-CB 4.16Å; V319-F370 PolarHBondContact N-O 2.83Å; M337-F370 HydrophobicContact CB-CD1 4.39Å; M337-F370 HydrophobicContact CB-CE1 4.48Å; M337-F370 WeakPolarHBondContact O-CA 3.43Å; M337-F370 HydrophobicContact SD-CE1 4.41Å; F355-F370 HydrophobicContact CE1-CB 4.24Å; F355-F370 HydrophobicContact CE1-CD1 4.05Å; F355-F370 HydrophobicContact CE2-CD1 4.37Å; F355-F370 HydrophobicContact CZ-CB 4.47Å; F355-F370 AromaticContact CZ-CD1 3.87Å; F355-F370 HydrophobicContact CZ-CD1 3.87Å; T358-F370 HydrophobicContact CG2-CE1 3.89Å; T358-F370 HydrophobicContact CG2-CZ 4.14Å; A359-F370 HydrophobicContact CB-CB 3.92Å; A359-F370 HydrophobicContact CB-CD1 3.65Å; A359-F370 HydrophobicContact CB-CD2 3.87Å; A359-F370 HydrophobicContact CB-CE1 4.09Å; A359-F370 HydrophobicContact CB-CE2 4.3Å; A359-F370 HydrophobicContact CB-CG 3.52Å; A359-F370 HydrophobicContact CB-CZ 4.39Å; F362-F370 HydrophobicContact CB-CE2 3.61Å; F362-F370 HydrophobicContact CB-CZ 3.92Å; F362-F370 HydrophobicContact CD2-CZ 4.16Å; F362-F370 HydrophobicContact CG-CE2 4.24Å; F362-F370 HydrophobicContact CG-CZ 4.11Å; V368-F370 HydrophobicContact CB-CE2 4.08Å; V368-F370 HydrophobicContact CG1-CD2 4.22Å; V368-F370 HydrophobicContact CG1-CE2 3.58Å; V368-F370 HydrophobicContact CG1-CZ 3.87Å; F370-L418 HydrophobicContact CE1-CD1 3.77Å; F370-L418 HydrophobicContact CZ-CD1 3.46Å; F370-L418 VanDerWaalsContact CZ-CD1 3.46Å
371	G	98.3	Very high	93.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.4	177.3	0	0	0	0	0	112	V319 M337 V338 L339	V319-G371 CarbonylContact O-C 3.49Å; V319-G371 VanDerWaalsContact O-CA 3.25Å; V319-G371 WeakPolarHBondContact O-CA 3.14Å; M337-G371 PolarHBondContact O-N 2.94Å; V338-G371 CarbonylContact C-O 3.52Å; V338-G371 VanDerWaalsContact CA-O 3.28Å; V338-G371 WeakPolarHBondContact CA-O 3.46Å; L339-G371 PolarHBondContact N-O 3.27Å
372	A	98.5	Very high	93.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.1	173	0	0	0	0	0	110.4	W314 V318 V319 H320 L321 L339 Y341	W314-A372 HydrophobicContact CH2-CB 4.43Å; W314-A372 HydrophobicContact CZ2-CB 4.39Å; V318-A372 HydrophobicContact CG1-CB 3.83Å; V319-A372 PolarHBondContact O-N 3.46Å; H320-A372 CarbonylContact C-O 3.52Å; H320-A372 VanDerWaalsContact CA-O 3.3Å; H320-A372 WeakPolarHBondContact CA-O 3.39Å; L321-A372 PolarHBondContact N-O 2.96Å; L339-A372 CarbonylContact O-C 3.57Å; L339-A372 WeakPolarHBondContact O-CA 3.39Å; Y341-A372 HydrophobicContact CE1-CB 4.04Å
373	V	98.5	Very high	93.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117	178.5	178.8	0	0	0	0	108.4	L321 F326 V338 L339 F340 Y341 C375 E378 L381	L321-V373 HydrophobicContact CB-CG2 3.87Å; F326-V373 HydrophobicContact CD2-CG2 4.24Å; F326-V373 HydrophobicContact CE2-CG2 4.37Å; V338-V373 HydrophobicContact CG1-CG2 3.94Å; L339-V373 PolarHBondContact O-N 3.3Å; F340-V373 HydrophobicContact CD1-CB 3.67Å; F340-V373 HydrophobicContact CD1-CG1 3.86Å; F340-V373 HydrophobicContact CD1-CG2 4.08Å; F340-V373 HydrophobicContact CE1-CB 3.96Å; F340-V373 HydrophobicContact CE1-CG1 4.1Å; F340-V373 HydrophobicContact CE1-CG2 3.84Å; F340-V373 HydrophobicContact CG-CB 4.41Å; F340-V373 HydrophobicContact CZ-CG2 4.44Å; Y341-V373 WeakPolarHBondContact CD1-O 3.4Å; Y341-V373 PolarHBondContact N-O 3.03Å; V373-C375 PolarHBondContact O-N 3.47Å; V373-E378 HydrophobicContact CG1-CB 3.79Å; V373-E378 HydrophobicContact CG1-CG 4.24Å; V373-L381 HydrophobicContact CG1-CD2 3.76Å; V373-L381 HydrophobicContact CG1-CG 4.25Å; V373-L381 HydrophobicContact CG2-CD2 3.97Å
374	N	97.3	Very high	93.7	Very high	23 Å²	23	65.7 Å²	65.7	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.4	172.7	-175.9	-18	0	0	0	109.4	Y341 E343 Q376 S377 E378	Y341-N374 HydrophobicContact CE1-CB 4.21Å; Y341-N374 HydrophobicContact CE2-CB 4.09Å; E343-N374 PolarHBondContact OE1-ND2 3.31Å; N374-Q376 PolarHBondContact O-N 2.78Å; N374-Q376 VanDerWaalsContact OD1-CB 3.25Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.27Å; N374-Q376 PolarHBondContact OD1-N 3.1Å; N374-S377 PolarHBondContact O-N 3.37Å; N374-S377 PolarHBondContact O-OG 2.95Å; N374-E378 VanDerWaalsContact O-CB 3.29Å; N374-E378 WeakPolarHBondContact O-CB 3.38Å; N374-E378 PolarHBondContact O-N 3.06Å
375	C	95.7	Very high	93.9	Very high	16 Å²	16	61.5 Å²	61.5	11%	0.108	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.1	-178	-65.3	0	0	0	0	114.8	Y341 V373 A379 C382 L390	Y341-C375 WeakPolarHBondContact O-CB 3.34Å; Y341-C375 PolarHBondContact O-N 3.24Å; V373-C375 PolarHBondContact O-N 3.47Å; C375-A379 WeakPolarHBondContact O-CA 3.49Å; C375-A379 PolarHBondContact O-N 2.79Å; C375-C382 WeakPolarHBondContact CA-SG 3.2Å; C375-C382 HydrophobicContact CB-CB 3.68Å; C375-C382 WeakPolarHBondContact CB-SG 3.34Å; C375-C382 WeakPolarHBondContact SG-CB 3.28Å; C375-C382 CovalentContact SG-SG 2.03Å; C375-C382 PolarHBondContact SG-SG 3.25Å; C375-L390 HydrophobicContact CB-CD1 3.9Å
376	Q	93.7	Very high	94.2	Very high	112 Å²	112	58 Å²	58	52%	0.523	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-42.4	172	-172.5	169.5	-45.1	0	0	111.2	N344 N374	N344-Q376 PolarHBondContact ND2-OE1 3.12Å; N374-Q376 PolarHBondContact O-N 2.78Å; N374-Q376 VanDerWaalsContact OD1-CB 3.25Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.27Å; N374-Q376 PolarHBondContact OD1-N 3.1Å
377	S	95.4	Very high	94.4	Very high	85 Å²	85	48.4 Å²	48.4	59%	0.594	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-30.7	176.7	58.7	0	0	0	0	112.9	N374	N374-S377 PolarHBondContact O-N 3.37Å; N374-S377 PolarHBondContact O-OG 2.95Å
378	E	96.1	Very high	94	Very high	32 Å²	32	53 Å²	53	15%	0.15	28%	0.276	C	S	.	.			trans	-108.9	42.6	-174	-59.7	-63.7	147.1	0	0	112.6	T322 V323 V373 N374 T380 L381 C382	T322-E378 WeakPolarHBondContact CA-OE2 3.41Å; V323-E378 PolarHBondContact N-OE2 3.02Å; V373-E378 HydrophobicContact CG1-CB 3.79Å; V373-E378 HydrophobicContact CG1-CG 4.24Å; N374-E378 VanDerWaalsContact O-CB 3.29Å; N374-E378 WeakPolarHBondContact O-CB 3.38Å; N374-E378 PolarHBondContact O-N 3.06Å; E378-T380 VanDerWaalsContact C-N 3.27Å; E378-T380 PolarHBondContact O-N 3.4Å; E378-T380 VanDerWaalsContact O-N 3.14Å; E378-L381 HydrophobicContact CB-CB 4.12Å; E378-L381 HydrophobicContact CB-CD2 4.49Å; E378-L381 WeakPolarHBondContact O-CB 3.45Å; E378-L381 PolarHBondContact O-N 3.08Å; E378-C382 PolarHBondContact O-N 3.38Å
379	A	94	Very high	93.6	Very high	50 Å²	50	59.7 Å²	59.7	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-54.8	-37	-172.2	0	0	0	0	0	114.1	C375 R383	C375-A379 WeakPolarHBondContact O-CA 3.49Å; C375-A379 PolarHBondContact O-N 2.79Å; A379-R383 WeakPolarHBondContact O-CB 3.34Å; A379-R383 WeakPolarHBondContact O-CG 3.27Å; A379-R383 PolarHBondContact O-N 3.32Å
380	T	94.5	Very high	93.3	Very high	64 Å²	64	61.7 Å²	61.7	39%	0.393	31%	0.314	S	S	.	.	H	α-helix	trans	-70.4	-41.5	177.2	-63.9	0	0	0	0	112.1	E378 R383 Q384	E378-T380 VanDerWaalsContact C-N 3.27Å; E378-T380 PolarHBondContact O-N 3.4Å; E378-T380 VanDerWaalsContact O-N 3.14Å; T380-R383 PolarHBondContact O-N 3.45Å; T380-R383 PolarHBondContact OG1-NH2 3.08Å; T380-R383 VanDerWaalsContact OG1-NH2 3.13Å; T380-Q384 WeakPolarHBondContact O-CG 3.38Å; T380-Q384 PolarHBondContact O-N 2.92Å
381	L	95.9	Very high	93.1	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-44.8	175.7	179.5	58.3	0	0	0	110.7	V323 F326 V373 E378 Q384 R385	V323-L381 HydrophobicContact CG2-CB 3.77Å; F326-L381 HydrophobicContact CB-CD1 4.08Å; F326-L381 HydrophobicContact CB-CD2 3.98Å; F326-L381 HydrophobicContact CD1-CD1 4.01Å; F326-L381 HydrophobicContact CD2-CD1 4Å; F326-L381 HydrophobicContact CD2-CD2 3.79Å; F326-L381 HydrophobicContact CD2-CG 4.35Å; F326-L381 HydrophobicContact CE1-CD1 4.43Å; F326-L381 HydrophobicContact CE2-CD1 4.41Å; F326-L381 HydrophobicContact CG-CD1 3.78Å; F326-L381 HydrophobicContact CG-CD2 4.08Å; V373-L381 HydrophobicContact CG1-CD2 3.76Å; V373-L381 HydrophobicContact CG1-CG 4.25Å; V373-L381 HydrophobicContact CG2-CD2 3.97Å; E378-L381 HydrophobicContact CB-CB 4.12Å; E378-L381 HydrophobicContact CB-CD2 4.49Å; E378-L381 WeakPolarHBondContact O-CB 3.45Å; E378-L381 PolarHBondContact O-N 3.08Å; L381-Q384 PolarHBondContact O-N 2.98Å; L381-Q384 VanDerWaalsContact O-N 3.16Å; L381-R385 HydrophobicContact CD1-CB 4.39Å; L381-R385 HydrophobicContact CD1-CG 3.69Å; L381-R385 WeakPolarHBondContact O-CB 3.32Å; L381-R385 PolarHBondContact O-N 3.09Å
382	C	95.9	Very high	92.9	Very high	11 Å²	11	63.6 Å²	63.6	7%	0.074	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-43.3	178.1	-71.6	0	0	0	0	112.4	C375 E378 Q384 R385 A386	C375-C382 WeakPolarHBondContact CA-SG 3.2Å; C375-C382 HydrophobicContact CB-CB 3.68Å; C375-C382 WeakPolarHBondContact CB-SG 3.34Å; C375-C382 WeakPolarHBondContact SG-CB 3.28Å; C375-C382 CovalentContact SG-SG 2.03Å; C375-C382 PolarHBondContact SG-SG 3.25Å; E378-C382 PolarHBondContact O-N 3.38Å; C382-Q384 PolarHBondContact O-N 3.45Å; C382-Q384 VanDerWaalsContact O-N 3.14Å; C382-R385 PolarHBondContact O-N 3.31Å; C382-A386 HydrophobicContact CB-CB 4.08Å; C382-A386 WeakPolarHBondContact O-CA 3.37Å; C382-A386 VanDerWaalsContact O-CB 3.24Å; C382-A386 WeakPolarHBondContact O-CB 3.49Å; C382-A386 PolarHBondContact O-N 2.69Å
383	R	93.7	Very high	92.7	Very high	194 Å²	194	63.7 Å²	63.7	73%	0.732	33%	0.326	S	S	*	.	H	α-helix	trans	-57.8	-29.6	173.9	-77.1	-175.8	-64	169.7	0.8	113.7	A379 T380	A379-R383 WeakPolarHBondContact O-CB 3.34Å; A379-R383 WeakPolarHBondContact O-CG 3.27Å; A379-R383 PolarHBondContact O-N 3.32Å; T380-R383 PolarHBondContact O-N 3.45Å; T380-R383 PolarHBondContact OG1-NH2 3.08Å; T380-R383 VanDerWaalsContact OG1-NH2 3.13Å
384	Q	92.9	Very high	92.6	Very high	132 Å²	132	64 Å²	64	62%	0.617	33%	0.327	S	S	*	.	H	α-helix	trans	-87.8	-29.9	-179.7	-70.1	176	6.4	0	0	113.7	T380 L381 C382	T380-Q384 WeakPolarHBondContact O-CG 3.38Å; T380-Q384 PolarHBondContact O-N 2.92Å; L381-Q384 PolarHBondContact O-N 2.98Å; L381-Q384 VanDerWaalsContact O-N 3.16Å; C382-Q384 PolarHBondContact O-N 3.45Å; C382-Q384 VanDerWaalsContact O-N 3.14Å
385	R	94.2	Very high	92.4	Very high	91 Å²	91	63.1 Å²	63.1	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-125.2	-30.5	-165.4	-60.3	-60.6	-175	172	0.3	114.3	F326 F340 L381 C382 N394	F326-R385 HydrophobicContact CE1-CG 3.93Å; F326-R385 HydrophobicContact CZ-CB 4.25Å; F326-R385 HydrophobicContact CZ-CG 3.99Å; F340-R385 HydrophobicContact CE1-CB 3.79Å; F340-R385 HydrophobicContact CZ-CB 3.67Å; L381-R385 HydrophobicContact CD1-CB 4.39Å; L381-R385 HydrophobicContact CD1-CG 3.69Å; L381-R385 WeakPolarHBondContact O-CB 3.32Å; L381-R385 PolarHBondContact O-N 3.09Å; C382-R385 PolarHBondContact O-N 3.31Å; R385-N394 PolarHBondContact O-ND2 3.03Å
386	A	89.9	Confident	92.4	Very high	15 Å²	15	62.5 Å²	62.5	12%	0.124	32%	0.318	C	S	.	.	S	Bend	trans	-81.5	152.8	168.6	0	0	0	0	0	109.4	F340 C382 L390	F340-A386 HydrophobicContact CB-CB 3.88Å; F340-A386 HydrophobicContact CD1-CB 3.84Å; F340-A386 HydrophobicContact CD2-CB 4.45Å; F340-A386 HydrophobicContact CG-CB 3.8Å; C382-A386 HydrophobicContact CB-CB 4.08Å; C382-A386 WeakPolarHBondContact O-CA 3.37Å; C382-A386 VanDerWaalsContact O-CB 3.24Å; C382-A386 WeakPolarHBondContact O-CB 3.49Å; C382-A386 PolarHBondContact O-N 2.69Å; A386-L390 HydrophobicContact CB-CD2 4.2Å
387	G	80.5	Confident	92.3	Very high	40 Å²	40	58.3 Å²	58.3	41%	0.412	30%	0.299	S	S	.	.			trans	-79.5	-168.3	168.7	0	0	0	0	0	111.3	K389 Q392	G387-K389 VanDerWaalsContact C-N 3.27Å; G387-K389 PolarHBondContact O-N 3.28Å; G387-Q392 VanDerWaalsContact N-CD 3.26Å
388	Q	79.3	Confident	92.3	Very high	206 Å²	206	57.9 Å²	57.9	96%	0.963	29%	0.287	S	S	*	.	S	Bend	trans	-73.5	-18.4	-179.2	-66.3	-178.4	-2.1	0	0	113.5
389	K	86.4	Confident	92.2	Very high	155 Å²	155	57.4 Å²	57.4	67%	0.674	29%	0.285	S	S	*	.	S	Bend	trans	-106.2	133.4	-176.2	-62.5	-177.3	-178.6	-179.8	0	109.6	G387 Q392	G387-K389 VanDerWaalsContact C-N 3.27Å; G387-K389 PolarHBondContact O-N 3.28Å; K389-Q392 WeakPolarHBondContact O-CB 3.44Å
390	L	91.1	Very high	92	Very high	62 Å²	62	63.9 Å²	63.9	33%	0.325	30%	0.304	S	S	.	.	S	Bend	trans	-120.1	147.6	171.3	-69.6	176.1	0	0	0	109.4	F340 T342 L345 C375 A386	F340-L390 HydrophobicContact CB-CD2 3.86Å; F340-L390 WeakPolarHBondContact O-CD2 3.5Å; T342-L390 HydrophobicContact CG2-CD1 4.33Å; L345-L390 HydrophobicContact CD1-CB 4.1Å; C375-L390 HydrophobicContact CB-CD1 3.9Å; A386-L390 HydrophobicContact CB-CD2 4.2Å
391	P	93.9	Very high	91.8	Very high	21 Å²	21	65.4 Å²	65.4	14%	0.136	30%	0.302	C	S	.	.	S	Bend	cis	-70.4	154.4	-5.1	16.7	-7.3	0	0	0	111.5	L339 F340 V351 F409	L339-P391 HydrophobicContact CD1-CB 3.94Å; F340-P391 WeakPolarHBondContact O-CA 3.16Å; V351-P391 HydrophobicContact CB-CG 4.29Å; V351-P391 HydrophobicContact CG1-CB 4.07Å; V351-P391 HydrophobicContact CG1-CG 4Å; V351-P391 HydrophobicContact CG2-CG 3.77Å; P391-F409 HydrophobicContact CB-CE2 4.17Å; P391-F409 HydrophobicContact CG-CD2 4.41Å; P391-F409 HydrophobicContact CG-CE2 3.92Å
392	Q	93.3	Very high	91.6	Very high	20 Å²	20	67.7 Å²	67.7	9%	0.093	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.2	176.1	-176.2	174	-56.7	0	0	109.9	F340 G387 K389 N394 V404	F340-Q392 PolarHBondContact N-O 3.27Å; F340-Q392 PolarHBondContact O-N 3.49Å; G387-Q392 VanDerWaalsContact N-CD 3.26Å; K389-Q392 WeakPolarHBondContact O-CB 3.44Å; Q392-N394 PolarHBondContact NE2-OD1 3.37Å; Q392-V404 HydrophobicContact CG-CG1 3.88Å
393	I	95.4	Very high	91.2	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.5	171.5	-61.2	169.7	0	0	0	108.4	M337 V338 L339 F355 Y405 F409 L414	M337-I393 HydrophobicContact CE-CG2 3.69Å; M337-I393 HydrophobicContact CG-CG2 3.45Å; M337-I393 VanDerWaalsContact CG-CG2 3.45Å; M337-I393 HydrophobicContact SD-CG2 4.18Å; V338-I393 CarbonylContact O-C 3.55Å; V338-I393 WeakPolarHBondContact O-CA 3.27Å; L339-I393 HydrophobicContact CB-CG1 4.29Å; L339-I393 HydrophobicContact CD1-CD1 4.39Å; L339-I393 HydrophobicContact CD1-CG1 3.68Å; F355-I393 HydrophobicContact CD2-CD1 3.83Å; F355-I393 HydrophobicContact CD2-CG1 4.34Å; F355-I393 HydrophobicContact CE2-CD1 4.19Å; F355-I393 HydrophobicContact CE2-CG1 4.35Å; F355-I393 HydrophobicContact CE2-CG2 4.29Å; I393-Y405 HydrophobicContact CB-CD1 4.19Å; I393-Y405 HydrophobicContact CB-CG 4.46Å; I393-Y405 HydrophobicContact CD1-CD1 4.34Å; I393-Y405 HydrophobicContact CG2-CG 4.48Å; I393-Y405 WeakPolarHBondContact O-CB 3.43Å; I393-Y405 PolarHBondContact O-N 2.91Å; I393-F409 HydrophobicContact CD1-CD1 3.74Å; I393-F409 HydrophobicContact CD1-CE1 3.85Å; I393-F409 HydrophobicContact CD1-CG 4.21Å; I393-F409 HydrophobicContact CD1-CZ 4.37Å; I393-F409 HydrophobicContact CG1-CE1 4.2Å; I393-F409 HydrophobicContact CG1-CZ 4.37Å; I393-L414 HydrophobicContact CD1-CD2 3.66Å
394	N	94.6	Very high	91	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.032	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.9	169.6	-66.9	-16.5	0	0	0	109.9	V338 F340 R385 Q392 Y396 R403	V338-N394 PolarHBondContact N-O 3.04Å; V338-N394 PolarHBondContact O-N 3.15Å; F340-N394 HydrophobicContact CE2-CB 4.05Å; F340-N394 WeakPolarHBondContact CE2-ND2 3.49Å; R385-N394 PolarHBondContact O-ND2 3.03Å; Q392-N394 PolarHBondContact NE2-OD1 3.37Å; N394-Y396 HydrophobicContact CB-CD2 4.21Å; N394-Y396 HydrophobicContact CB-CE2 3.43Å; N394-Y396 VanDerWaalsContact CB-CE2 3.43Å; N394-Y396 PolarHBondContact ND2-OH 3.36Å; N394-R403 CarbonylContact C-O 3.58Å; N394-R403 VanDerWaalsContact CA-O 3.22Å; N394-R403 WeakPolarHBondContact CA-O 3.24Å
395	Y	94.4	Very high	90.9	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.6	170.3	173.5	-105.5	0	0	0	110.1	H335 A336 A402 R403 Y417 V421 F428	H335-Y395 HydrophobicContact CB-CE2 4.08Å; H335-Y395 AromaticContact ND1-CZ 3.81Å; H335-Y395 PolarHBondContact ND1-OH 3.48Å; A336-Y395 CarbonylContact O-C 3.56Å; A336-Y395 WeakPolarHBondContact O-CA 3.48Å; Y395-A402 CarbonylContact O-C 3.53Å; Y395-A402 WeakPolarHBondContact O-CA 3.23Å; Y395-R403 PolarHBondContact N-O 2.87Å; Y395-R403 PolarHBondContact O-N 2.93Å; Y395-Y417 HydrophobicContact CD2-CE1 4.3Å; Y395-Y417 HydrophobicContact CG-CE1 4.07Å; Y395-V421 HydrophobicContact CD2-CG2 4.48Å; Y395-V421 HydrophobicContact CE1-CB 4.32Å; Y395-V421 HydrophobicContact CE1-CG2 4.25Å; Y395-V421 HydrophobicContact CE2-CG2 3.77Å; Y395-F428 AromaticContact CD1-CE2 3.66Å; Y395-F428 HydrophobicContact CD1-CE2 3.66Å; Y395-F428 HydrophobicContact CD1-CZ 4Å; Y395-F428 HydrophobicContact CE1-CD2 4.02Å; Y395-F428 AromaticContact CE1-CE2 3.28Å; Y395-F428 HydrophobicContact CE1-CE2 3.28Å; Y395-F428 HydrophobicContact CE1-CZ 4.08Å
396	Y	94.3	Very high	90.5	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.5	-176.7	-66	-87	0	0	0	111.5	F326 L330 A336 V338 N394 L399 R401 A402	F326-Y396 HydrophobicContact CZ-CE1 4.26Å; F326-Y396 HydrophobicContact CZ-CE2 4.02Å; F326-Y396 AromaticContact CZ-CZ 3.7Å; L330-Y396 HydrophobicContact CD1-CD2 4.04Å; L330-Y396 HydrophobicContact CD1-CE2 4.26Å; L330-Y396 HydrophobicContact CD1-CG 4.2Å; A336-Y396 PolarHBondContact N-O 3.34Å; A336-Y396 PolarHBondContact O-N 3.43Å; V338-Y396 HydrophobicContact CB-CD2 4.25Å; V338-Y396 HydrophobicContact CB-CE2 3.95Å; V338-Y396 HydrophobicContact CG2-CD2 3.78Å; V338-Y396 HydrophobicContact CG2-CE2 3.88Å; N394-Y396 HydrophobicContact CB-CD2 4.21Å; N394-Y396 HydrophobicContact CB-CE2 3.43Å; N394-Y396 VanDerWaalsContact CB-CE2 3.43Å; N394-Y396 PolarHBondContact ND2-OH 3.36Å; Y396-L399 HydrophobicContact CD1-CD1 3.9Å; Y396-L399 HydrophobicContact CE1-CD1 4Å; Y396-R401 WeakPolarHBondContact CA-O 3.46Å; Y396-A402 HydrophobicContact CD1-CB 3.5Å; Y396-A402 HydrophobicContact CE1-CB 3.34Å
397	N	93.5	Very high	90.5	Very high	24 Å²	24	53.8 Å²	53.8	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	106.6	167.9	-178.8	-82.1	0	0	0	109.6	K334 L399 K400 R401 F428	K334-N397 WeakPolarHBondContact O-CA 3.37Å; K334-N397 PolarHBondContact O-ND2 2.96Å; N397-L399 PolarHBondContact O-N 3.47Å; N397-K400 PolarHBondContact O-N 3.1Å; N397-R401 HydrophobicContact CB-CB 4.35Å; N397-R401 PolarHBondContact N-O 3.01Å; N397-R401 PolarHBondContact O-N 3.26Å; N397-F428 HydrophobicContact CB-CD2 3.55Å; N397-F428 HydrophobicContact CB-CE2 3.45Å; N397-F428 VanDerWaalsContact CB-CE2 3.45Å; N397-F428 HydrophobicContact CB-CZ 4.4Å
398	F	94.4	Very high	91.1	Very high	77 Å²	77	51.9 Å²	51.9	34%	0.338	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	24.9	-175.1	-58.4	-71.2	0	0	0	114.7	L330 K333 K334 K400	L330-F398 CarbonylContact O-C 3.29Å; L330-F398 VanDerWaalsContact O-C 3.29Å; L330-F398 WeakPolarHBondContact O-CA 3.36Å; K333-F398 VanDerWaalsContact O-CA 3.25Å; K333-F398 WeakPolarHBondContact O-CA 3.44Å; K333-F398 PolarHBondContact O-N 3.11Å; K334-F398 HydrophobicContact CB-CE1 3.8Å; K334-F398 HydrophobicContact CB-CE2 4.01Å; K334-F398 HydrophobicContact CB-CZ 3.46Å; K334-F398 VanDerWaalsContact CB-CZ 3.46Å; K334-F398 HydrophobicContact CD-CZ 4.38Å; K334-F398 HydrophobicContact CG-CE1 4.42Å; K334-F398 HydrophobicContact CG-CE2 3.73Å; K334-F398 HydrophobicContact CG-CZ 3.6Å; F398-K400 HydrophobicContact CB-CG 4.36Å; F398-K400 PolarHBondContact O-N 3.28Å
399	L	93.9	Very high	91.8	Very high	21 Å²	21	42.5 Å²	42.5	11%	0.11	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-8.7	-167.6	-171.6	61.9	0	0	0	115.3	F326 L330 R331 Y396 N397 R401	F326-L399 HydrophobicContact CD1-CD1 4.41Å; F326-L399 HydrophobicContact CE1-CD1 3.74Å; L330-L399 HydrophobicContact CB-CB 3.96Å; L330-L399 HydrophobicContact CB-CD1 4.3Å; L330-L399 HydrophobicContact CB-CD2 4.47Å; L330-L399 HydrophobicContact CB-CG 4.48Å; L330-L399 HydrophobicContact CD1-CD1 4.17Å; L330-L399 PolarHBondContact O-N 2.95Å; R331-L399 HydrophobicContact CG-CB 4.22Å; R331-L399 HydrophobicContact CG-CD2 3.95Å; Y396-L399 HydrophobicContact CD1-CD1 3.9Å; Y396-L399 HydrophobicContact CE1-CD1 4Å; N397-L399 PolarHBondContact O-N 3.47Å; L399-R401 VanDerWaalsContact C-N 3.33Å
400	K	90.9	Very high	92.2	Very high	186 Å²	186	35.2 Å²	35.2	81%	0.809	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-36.5	178.6	-68.4	-176.9	179.1	-179.1	0	111.2	N397 F398	N397-K400 PolarHBondContact O-N 3.1Å; F398-K400 HydrophobicContact CB-CG 4.36Å; F398-K400 PolarHBondContact O-N 3.28Å
401	R	90.1	Very high	92.4	Very high	96 Å²	96	33.7 Å²	33.7	36%	0.362	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.2	176.2	-59.7	178.9	169.9	147.8	-10.4	109.2	Y396 N397 L399 F428 E429	Y396-R401 WeakPolarHBondContact CA-O 3.46Å; N397-R401 HydrophobicContact CB-CB 4.35Å; N397-R401 PolarHBondContact N-O 3.01Å; N397-R401 PolarHBondContact O-N 3.26Å; L399-R401 VanDerWaalsContact C-N 3.33Å; R401-F428 HydrophobicContact CB-CD1 3.83Å; R401-F428 HydrophobicContact CB-CD2 4.48Å; R401-F428 HydrophobicContact CB-CE1 3.56Å; R401-F428 HydrophobicContact CB-CE2 4.24Å; R401-F428 HydrophobicContact CB-CG 4.29Å; R401-F428 HydrophobicContact CB-CZ 3.79Å; R401-F428 VanDerWaalsContact CD-CD1 3.46Å; R401-F428 HydrophobicContact CG-CD1 4.25Å; R401-F428 HydrophobicContact CG-CE1 4.43Å; R401-E429 IonicContact CZ-OE1 3.27Å; R401-E429 VanDerWaalsContact CZ-OE1 3.27Å; R401-E429 IonicContact NE-OE1 3.27Å; R401-E429 PolarHBondContact NE-OE1 3.49Å; R401-E429 IonicContact NH2-OE1 2.7Å; R401-E429 PolarHBondContact NH2-OE1 3.27Å; R401-E429 IonicContact NH2-OE2 3.95Å
402	A	90.2	Very high	92.3	Very high	54 Å²	54	35.6 Å²	35.6	45%	0.446	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140.1	-179.8	0	0	0	0	0	108.5	Y395 Y396	Y395-A402 CarbonylContact O-C 3.53Å; Y395-A402 WeakPolarHBondContact O-CA 3.23Å; Y396-A402 HydrophobicContact CD1-CB 3.5Å; Y396-A402 HydrophobicContact CE1-CB 3.34Å
403	R	88	Confident	92.3	Very high	26 Å²	26	34.7 Å²	34.7	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.7	174.1	-78.4	-179.6	168.5	-174.8	-0.3	109.8	N394 Y395 F428 E429 A432 D434	N394-R403 CarbonylContact C-O 3.58Å; N394-R403 VanDerWaalsContact CA-O 3.22Å; N394-R403 WeakPolarHBondContact CA-O 3.24Å; Y395-R403 PolarHBondContact N-O 2.87Å; Y395-R403 PolarHBondContact O-N 2.93Å; R403-F428 HydrophobicContact CB-CZ 4.36Å; R403-F428 VanDerWaalsContact CD-CE1 3.48Å; R403-F428 HydrophobicContact CG-CE1 3.62Å; R403-F428 HydrophobicContact CG-CZ 3.75Å; R403-F428 PolarHBondContact NH1-O 3.12Å; R403-F428 PolarHBondContact NH2-O 2.71Å; R403-E429 VanDerWaalsContact NH2-CA 3.35Å; R403-E429 PolarHBondContact NH2-O 2.83Å; R403-A432 PolarHBondContact NH1-O 3.2Å; R403-A432 PolarHBondContact NH2-O 3.05Å; R403-D434 IonicContact CZ-OD1 3.64Å; R403-D434 IonicContact NE-OD1 2.75Å; R403-D434 PolarHBondContact NE-OD1 2.65Å; R403-D434 IonicContact NH2-OD1 3.73Å
404	V	90.1	Very high	92.2	Very high	63 Å²	63	34.7 Å²	34.7	38%	0.382	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.2	168.2	-170.1	0	0	0	0	107.5	Q392 N406	Q392-V404 HydrophobicContact CG-CG1 3.88Å; V404-N406 WeakPolarHBondContact CG1-OD1 3.35Å; V404-N406 PolarHBondContact O-N 2.98Å
405	Y	90.9	Very high	92.2	Very high	5 Å²	5	35 Å²	35	2%	0.02	18%	0.178	C	C	.	.			trans	-81	98.8	171.9	175	-97.5	0	0	0	108.4	M337 I393 S407 D408 F409 L414 Y417	M337-Y405 HydrophobicContact CE-CD1 4.38Å; M337-Y405 HydrophobicContact CE-CD2 4.04Å; M337-Y405 HydrophobicContact CE-CE2 4.32Å; M337-Y405 HydrophobicContact CE-CG 4.07Å; I393-Y405 HydrophobicContact CB-CD1 4.19Å; I393-Y405 HydrophobicContact CB-CG 4.46Å; I393-Y405 HydrophobicContact CD1-CD1 4.34Å; I393-Y405 HydrophobicContact CG2-CG 4.48Å; I393-Y405 WeakPolarHBondContact O-CB 3.43Å; I393-Y405 PolarHBondContact O-N 2.91Å; Y405-S407 WeakPolarHBondContact CE1-O 3.48Å; Y405-S407 PolarHBondContact O-N 3.01Å; Y405-S407 PolarHBondContact OH-OG 3.24Å; Y405-D408 VanDerWaalsContact CE1-O 3.22Å; Y405-D408 WeakPolarHBondContact CE1-O 3.34Å; Y405-D408 PolarHBondContact OH-O 3.36Å; Y405-F409 HydrophobicContact CD1-CD1 4.04Å; Y405-F409 AromaticContact CD1-CE1 3.8Å; Y405-F409 HydrophobicContact CD1-CE1 3.8Å; Y405-F409 AromaticContact CE1-CD1 3.81Å; Y405-F409 HydrophobicContact CE1-CD1 3.81Å; Y405-F409 HydrophobicContact CE1-CE1 4.01Å; Y405-L414 HydrophobicContact CD1-CD2 4.04Å; Y405-L414 HydrophobicContact CE1-CD2 3.48Å; Y405-L414 VanDerWaalsContact CE1-CD2 3.48Å; Y405-L414 HydrophobicContact CE2-CD2 4.46Å; Y405-Y417 AromaticContact CD2-CD1 3.85Å; Y405-Y417 HydrophobicContact CD2-CD1 3.85Å; Y405-Y417 AromaticContact CD2-CD2 3.89Å; Y405-Y417 HydrophobicContact CD2-CD2 3.89Å; Y405-Y417 HydrophobicContact CD2-CE1 4.01Å; Y405-Y417 HydrophobicContact CD2-CE2 4.04Å; Y405-Y417 AromaticContact CD2-CG 3.78Å; Y405-Y417 HydrophobicContact CD2-CG 3.78Å; Y405-Y417 AromaticContact CE2-CD1 3.96Å; Y405-Y417 HydrophobicContact CE2-CD1 3.96Å; Y405-Y417 AromaticContact CE2-CD2 3.75Å; Y405-Y417 HydrophobicContact CE2-CD2 3.75Å; Y405-Y417 HydrophobicContact CE2-CE2 4.35Å; Y405-Y417 AromaticContact CE2-CG 3.51Å; Y405-Y417 HydrophobicContact CE2-CG 3.51Å
406	N	86.1	Confident	92.1	Very high	57 Å²	57	35.7 Å²	35.7	31%	0.305	18%	0.182	S	C	.	.			trans	-96.5	55.7	-178.1	-65.1	-28.7	0	0	0	111	V404 F437	V404-N406 WeakPolarHBondContact CG1-OD1 3.35Å; V404-N406 PolarHBondContact O-N 2.98Å; N406-F437 WeakPolarHBondContact O-CA 3.44Å; N406-F437 WeakPolarHBondContact O-CD2 3.41Å
407	S	89.3	Confident	91.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-144.4	-172	178.1	177.3	0	0	0	0	110.7	Y405 F438	Y405-S407 WeakPolarHBondContact CE1-O 3.48Å; Y405-S407 PolarHBondContact O-N 3.01Å; Y405-S407 PolarHBondContact OH-OG 3.24Å; S407-F438 WeakPolarHBondContact CB-O 3.4Å; S407-F438 PolarHBondContact OG-O 2.87Å
408	D	93.1	Very high	91.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.			trans	-69.9	143.9	-176.8	-169.9	71.2	0	0	0	113.1	Y405 T410 E413 F437 L448 T449 G452	Y405-D408 VanDerWaalsContact CE1-O 3.22Å; Y405-D408 WeakPolarHBondContact CE1-O 3.34Å; Y405-D408 PolarHBondContact OH-O 3.36Å; D408-T410 WeakPolarHBondContact OD2-CB 3.4Å; D408-T410 WeakPolarHBondContact OD2-CG2 3.43Å; D408-T410 PolarHBondContact OD2-N 3.46Å; D408-T410 PolarHBondContact OD2-OG1 2.78Å; D408-E413 HydrophobicContact CB-CB 4.24Å; D408-E413 HydrophobicContact CB-CG 4.2Å; D408-F437 HydrophobicContact CB-CZ 4.46Å; D408-L448 HydrophobicContact CB-CD2 3.81Å; D408-T449 WeakPolarHBondContact OD1-CA 3.5Å; D408-T449 VanDerWaalsContact OD1-CB 3.26Å; D408-T449 WeakPolarHBondContact OD1-CB 3.24Å; D408-T449 VanDerWaalsContact OD1-CG2 3.31Å; D408-T449 WeakPolarHBondContact OD1-CG2 3.45Å; D408-T449 PolarHBondContact OD1-N 3.29Å; D408-T449 PolarHBondContact OD1-OG1 2.96Å; D408-G452 WeakPolarHBondContact OD1-CA 3.36Å
409	F	94.4	Very high	91.6	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.044	18%	0.178	C	C	.	.			trans	-91.6	10.7	-177.4	-65.2	-10.3	0	0	0	113.9	V351 Q354 P391 I393 Y405 L414 F451	V351-F409 HydrophobicContact CG1-CD2 4.1Å; V351-F409 HydrophobicContact CG2-CD2 4.06Å; Q354-F409 WeakPolarHBondContact CB-O 3.34Å; Q354-F409 WeakPolarHBondContact CG-O 3.34Å; P391-F409 HydrophobicContact CB-CE2 4.17Å; P391-F409 HydrophobicContact CG-CD2 4.41Å; P391-F409 HydrophobicContact CG-CE2 3.92Å; I393-F409 HydrophobicContact CD1-CD1 3.74Å; I393-F409 HydrophobicContact CD1-CE1 3.85Å; I393-F409 HydrophobicContact CD1-CG 4.21Å; I393-F409 HydrophobicContact CD1-CZ 4.37Å; I393-F409 HydrophobicContact CG1-CE1 4.2Å; I393-F409 HydrophobicContact CG1-CZ 4.37Å; Y405-F409 HydrophobicContact CD1-CD1 4.04Å; Y405-F409 AromaticContact CD1-CE1 3.8Å; Y405-F409 HydrophobicContact CD1-CE1 3.8Å; Y405-F409 AromaticContact CE1-CD1 3.81Å; Y405-F409 HydrophobicContact CE1-CD1 3.81Å; Y405-F409 HydrophobicContact CE1-CE1 4.01Å; F409-L414 WeakPolarHBondContact O-CD1 3.27Å; F409-F451 HydrophobicContact CE1-CD1 4.37Å; F409-F451 HydrophobicContact CE1-CE1 4.09Å; F409-F451 HydrophobicContact CE2-CD1 4.45Å; F409-F451 HydrophobicContact CZ-CD1 4.24Å; F409-F451 AromaticContact CZ-CE1 3.99Å; F409-F451 HydrophobicContact CZ-CE1 3.99Å
410	T	94.3	Very high	91.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	19%	0.19	C	C	.	.	S	Bend	trans	-65.5	148	172	55.3	0	0	0	0	111.6	D408 T412 E413 L414 L447 T449	D408-T410 WeakPolarHBondContact OD2-CB 3.4Å; D408-T410 WeakPolarHBondContact OD2-CG2 3.43Å; D408-T410 PolarHBondContact OD2-N 3.46Å; D408-T410 PolarHBondContact OD2-OG1 2.78Å; T410-T412 PolarHBondContact O-N 2.89Å; T410-T412 VanDerWaalsContact O-N 3.14Å; T410-E413 PolarHBondContact O-N 3.3Å; T410-E413 VanDerWaalsContact O-N 3.16Å; T410-L414 WeakPolarHBondContact O-CB 3.34Å; T410-L414 VanDerWaalsContact O-CG 3.3Å; T410-L414 WeakPolarHBondContact O-CG 3.48Å; T410-L414 PolarHBondContact O-N 3.13Å; T410-L447 HydrophobicContact CG2-CB 4.49Å; T410-L447 HydrophobicContact CG2-CD2 4.04Å; T410-L447 HydrophobicContact CG2-CG 3.96Å; T410-T449 HydrophobicContact CG2-CG2 4.01Å
411	T	95.1	Very high	91.2	Very high	29 Å²	29	28.7 Å²	28.7	18%	0.178	15%	0.153	C	C	.	.	H	α-helix	trans	-52.2	-39.6	177.6	-59	0	0	0	0	111.6	Q354 S357 T358 S415	Q354-T411 PolarHBondContact O-OG1 2.78Å; Q354-T411 PolarHBondContact OE1-OG1 2.71Å; S357-T411 WeakPolarHBondContact CB-OG1 3.31Å; T358-T411 WeakPolarHBondContact OG1-CA 3.42Å; T411-S415 WeakPolarHBondContact O-CB 3.36Å; T411-S415 PolarHBondContact O-N 2.96Å; T411-S415 PolarHBondContact O-OG 3.34Å
412	T	92.7	Very high	91.1	Very high	62 Å²	62	25 Å²	25	38%	0.38	14%	0.141	S	C	.	.	H	α-helix	trans	-62.4	-52.6	179.4	-56.4	0	0	0	0	112	T410 S415 N416	T410-T412 PolarHBondContact O-N 2.89Å; T410-T412 VanDerWaalsContact O-N 3.14Å; T412-S415 PolarHBondContact O-N 3.37Å; T412-N416 WeakPolarHBondContact O-CB 3.33Å; T412-N416 PolarHBondContact O-N 3.3Å; T412-N416 PolarHBondContact O-ND2 3.5Å
413	E	92.3	Very high	91	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-71.6	-39.1	-177.3	-66	-55.2	149	0	0	111.9	D408 T410 S415 N416 Y417 S440 H446	D408-E413 HydrophobicContact CB-CB 4.24Å; D408-E413 HydrophobicContact CB-CG 4.2Å; T410-E413 PolarHBondContact O-N 3.3Å; T410-E413 VanDerWaalsContact O-N 3.16Å; E413-S415 VanDerWaalsContact C-N 3.32Å; E413-S415 PolarHBondContact O-N 3.15Å; E413-N416 PolarHBondContact O-N 3.25Å; E413-Y417 WeakPolarHBondContact O-CB 3.28Å; E413-Y417 PolarHBondContact O-N 2.68Å; E413-S440 PolarHBondContact OE2-N 3.15Å; E413-H446 IonicContact OE1-CE1 3.99Å; E413-H446 IonicContact OE1-CG 3.94Å; E413-H446 IonicContact OE1-ND1 2.83Å; E413-H446 PolarHBondContact OE1-ND1 2.89Å
414	L	94.6	Very high	90.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-57.7	-45.2	172.1	-66.7	171.2	0	0	0	111.5	M337 T358 I393 Y405 F409 T410 Y417 L418	M337-L414 HydrophobicContact CE-CB 4.48Å; M337-L414 HydrophobicContact CE-CD2 3.32Å; M337-L414 HydrophobicContact CE-CG 4.49Å; M337-L414 HydrophobicContact SD-CD2 4.22Å; T358-L414 HydrophobicContact CG2-CB 3.77Å; T358-L414 WeakPolarHBondContact OG1-CD1 3.37Å; I393-L414 HydrophobicContact CD1-CD2 3.66Å; Y405-L414 HydrophobicContact CD1-CD2 4.04Å; Y405-L414 HydrophobicContact CE1-CD2 3.48Å; Y405-L414 VanDerWaalsContact CE1-CD2 3.48Å; Y405-L414 HydrophobicContact CE2-CD2 4.46Å; F409-L414 WeakPolarHBondContact O-CD1 3.27Å; T410-L414 WeakPolarHBondContact O-CB 3.34Å; T410-L414 VanDerWaalsContact O-CG 3.3Å; T410-L414 WeakPolarHBondContact O-CG 3.48Å; T410-L414 PolarHBondContact O-N 3.13Å; L414-Y417 PolarHBondContact O-N 3.07Å; L414-L418 WeakPolarHBondContact O-CG 3.43Å; L414-L418 PolarHBondContact O-N 3.34Å
415	S	93.8	Very high	90	Very high	13 Å²	13	31.9 Å²	31.9	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-45.5	177.3	-61.3	0	0	0	0	111.8	T411 T412 E413 Y417 L418 Y419	T411-S415 WeakPolarHBondContact O-CB 3.36Å; T411-S415 PolarHBondContact O-N 2.96Å; T411-S415 PolarHBondContact O-OG 3.34Å; T412-S415 PolarHBondContact O-N 3.37Å; E413-S415 VanDerWaalsContact C-N 3.32Å; E413-S415 PolarHBondContact O-N 3.15Å; S415-Y417 VanDerWaalsContact C-N 3.3Å; S415-Y417 PolarHBondContact O-N 3.49Å; S415-L418 PolarHBondContact O-N 2.9Å; S415-Y419 WeakPolarHBondContact O-CD2 3.34Å; S415-Y419 PolarHBondContact O-N 3.39Å
416	N	91.1	Very high	89.2	Confident	19 Å²	19	33.5 Å²	33.5	10%	0.102	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-40	178.3	-73.9	-31.4	0	0	0	111.9	T412 E413 T420 F438 S440	T412-N416 WeakPolarHBondContact O-CB 3.33Å; T412-N416 PolarHBondContact O-N 3.3Å; T412-N416 PolarHBondContact O-ND2 3.5Å; E413-N416 PolarHBondContact O-N 3.25Å; N416-T420 WeakPolarHBondContact O-CB 3.29Å; N416-T420 PolarHBondContact O-N 2.86Å; N416-T420 PolarHBondContact O-OG1 3.04Å; N416-F438 HydrophobicContact CB-CE1 4.01Å; N416-F438 HydrophobicContact CB-CZ 4.26Å; N416-S440 WeakPolarHBondContact ND2-CB 3.4Å; N416-S440 PolarHBondContact ND2-OG 3.34Å
417	Y	91.3	Very high	88.2	Confident	16 Å²	16	34.2 Å²	34.2	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-51.8	174	177.9	-97	0	0	0	110.8	M337 Y395 Y405 E413 L414 S415 Y419 T420 V421 F438	M337-Y417 HydrophobicContact CE-CD1 4.18Å; Y395-Y417 HydrophobicContact CD2-CE1 4.3Å; Y395-Y417 HydrophobicContact CG-CE1 4.07Å; Y405-Y417 AromaticContact CD2-CD1 3.85Å; Y405-Y417 HydrophobicContact CD2-CD1 3.85Å; Y405-Y417 AromaticContact CD2-CD2 3.89Å; Y405-Y417 HydrophobicContact CD2-CD2 3.89Å; Y405-Y417 HydrophobicContact CD2-CE1 4.01Å; Y405-Y417 HydrophobicContact CD2-CE2 4.04Å; Y405-Y417 AromaticContact CD2-CG 3.78Å; Y405-Y417 HydrophobicContact CD2-CG 3.78Å; Y405-Y417 AromaticContact CE2-CD1 3.96Å; Y405-Y417 HydrophobicContact CE2-CD1 3.96Å; Y405-Y417 AromaticContact CE2-CD2 3.75Å; Y405-Y417 HydrophobicContact CE2-CD2 3.75Å; Y405-Y417 HydrophobicContact CE2-CE2 4.35Å; Y405-Y417 AromaticContact CE2-CG 3.51Å; Y405-Y417 HydrophobicContact CE2-CG 3.51Å; E413-Y417 WeakPolarHBondContact O-CB 3.28Å; E413-Y417 PolarHBondContact O-N 2.68Å; L414-Y417 PolarHBondContact O-N 3.07Å; S415-Y417 VanDerWaalsContact C-N 3.3Å; S415-Y417 PolarHBondContact O-N 3.49Å; Y417-Y419 PolarHBondContact O-N 3.01Å; Y417-T420 WeakPolarHBondContact O-CA 3.32Å; Y417-T420 WeakPolarHBondContact O-CB 3.42Å; Y417-T420 PolarHBondContact O-N 2.97Å; Y417-V421 HydrophobicContact CD1-CG1 4.34Å; Y417-V421 HydrophobicContact CD1-CG2 4.38Å; Y417-V421 HydrophobicContact CD2-CG1 4.34Å; Y417-V421 HydrophobicContact CE1-CG1 3.89Å; Y417-V421 HydrophobicContact CE1-CG2 4.15Å; Y417-V421 HydrophobicContact CE2-CG1 3.91Å; Y417-V421 PolarHBondContact O-N 3.3Å; Y417-F438 VanDerWaalsContact CA-CE1 3.44Å; Y417-F438 HydrophobicContact CD2-CB 4.01Å; Y417-F438 AromaticContact CD2-CD1 3.95Å; Y417-F438 HydrophobicContact CD2-CD1 3.95Å; Y417-F438 AromaticContact CD2-CD2 3.88Å; Y417-F438 HydrophobicContact CD2-CD2 3.88Å; Y417-F438 HydrophobicContact CD2-CE1 4.43Å; Y417-F438 HydrophobicContact CD2-CE2 4.35Å; Y417-F438 AromaticContact CD2-CG 3.65Å; Y417-F438 HydrophobicContact CD2-CG 3.65Å; Y417-F438 HydrophobicContact CG-CD1 4.39Å; Y417-F438 VanDerWaalsContact N-CE1 3.3Å
418	L	92.1	Very high	87	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-46.2	179.1	-72.8	174.3	0	0	0	112.2	M337 T358 F362 V368 F370 L414 S415 T420 V421 V422	M337-L418 HydrophobicContact CB-CD2 4.37Å; M337-L418 HydrophobicContact SD-CD1 3.92Å; M337-L418 HydrophobicContact SD-CD2 4.06Å; M337-L418 HydrophobicContact SD-CG 4.07Å; T358-L418 HydrophobicContact CG2-CD1 3.89Å; F362-L418 HydrophobicContact CD2-CD1 4.26Å; F362-L418 HydrophobicContact CE1-CB 3.92Å; F362-L418 HydrophobicContact CE2-CB 4.22Å; F362-L418 HydrophobicContact CE2-CD1 4.03Å; F362-L418 HydrophobicContact CZ-CB 3.59Å; F362-L418 HydrophobicContact CZ-CD1 4.16Å; V368-L418 HydrophobicContact CG1-CD1 4.16Å; V368-L418 HydrophobicContact CG1-CD2 3.89Å; F370-L418 HydrophobicContact CE1-CD1 3.77Å; F370-L418 HydrophobicContact CZ-CD1 3.46Å; F370-L418 VanDerWaalsContact CZ-CD1 3.46Å; L414-L418 WeakPolarHBondContact O-CG 3.43Å; L414-L418 PolarHBondContact O-N 3.34Å; S415-L418 PolarHBondContact O-N 2.9Å; L418-T420 PolarHBondContact O-N 3.38Å; L418-V421 HydrophobicContact CD2-CG2 4.46Å; L418-V421 WeakPolarHBondContact O-CG2 3.23Å; L418-V421 PolarHBondContact O-N 2.86Å; L418-V422 VanDerWaalsContact O-CB 3.22Å; L418-V422 WeakPolarHBondContact O-CB 3.45Å; L418-V422 WeakPolarHBondContact O-CG2 2.73Å; L418-V422 PolarHBondContact O-N 3.44Å
419	Y	89.8	Confident	85.7	Confident	82 Å²	82	40.7 Å²	40.7	32%	0.322	24%	0.236	S	C	.	.	H	α-helix	trans	-59.2	-35	174.9	-74.8	-54.9	0	0	0	112.7	F362 S415 Y417 N423	F362-Y419 HydrophobicContact CE1-CD1 4.1Å; F362-Y419 AromaticContact CE1-CE1 3.86Å; F362-Y419 HydrophobicContact CE1-CE1 3.86Å; F362-Y419 HydrophobicContact CE2-CE2 4.28Å; F362-Y419 AromaticContact CZ-CD1 4Å; F362-Y419 HydrophobicContact CZ-CD1 4Å; F362-Y419 HydrophobicContact CZ-CD2 4.05Å; F362-Y419 AromaticContact CZ-CE1 3.77Å; F362-Y419 HydrophobicContact CZ-CE1 3.77Å; F362-Y419 AromaticContact CZ-CE2 3.82Å; F362-Y419 HydrophobicContact CZ-CE2 3.82Å; F362-Y419 HydrophobicContact CZ-CG 4.12Å; F362-Y419 AromaticContact CZ-CZ 3.67Å; S415-Y419 WeakPolarHBondContact O-CD2 3.34Å; S415-Y419 PolarHBondContact O-N 3.39Å; Y417-Y419 PolarHBondContact O-N 3.01Å; Y419-N423 VanDerWaalsContact O-CB 3.26Å; Y419-N423 WeakPolarHBondContact O-CB 3.4Å; Y419-N423 PolarHBondContact O-N 3.43Å; Y419-N423 PolarHBondContact O-ND2 3.47Å
420	T	87.3	Confident	84.1	Confident	59 Å²	59	45.6 Å²	45.6	36%	0.362	26%	0.263	S	S	.	.	H	α-helix	trans	-70.6	-48.6	178	-57.3	0	0	0	0	111.1	N416 Y417 L418 S424 F438	N416-T420 WeakPolarHBondContact O-CB 3.29Å; N416-T420 PolarHBondContact O-N 2.86Å; N416-T420 PolarHBondContact O-OG1 3.04Å; Y417-T420 WeakPolarHBondContact O-CA 3.32Å; Y417-T420 WeakPolarHBondContact O-CB 3.42Å; Y417-T420 PolarHBondContact O-N 2.97Å; L418-T420 PolarHBondContact O-N 3.38Å; T420-S424 VanDerWaalsContact O-CB 3.25Å; T420-S424 WeakPolarHBondContact O-CB 3.33Å; T420-S424 PolarHBondContact O-N 3.49Å; T420-S424 VanDerWaalsContact O-N 3.13Å; T420-F438 HydrophobicContact CG2-CE2 4.15Å
421	V	87.9	Confident	82.4	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-76.8	-27.7	-176	-57	0	0	0	0	113.7	Y395 Y417 L418 I431	Y395-V421 HydrophobicContact CD2-CG2 4.48Å; Y395-V421 HydrophobicContact CE1-CB 4.32Å; Y395-V421 HydrophobicContact CE1-CG2 4.25Å; Y395-V421 HydrophobicContact CE2-CG2 3.77Å; Y417-V421 HydrophobicContact CD1-CG1 4.34Å; Y417-V421 HydrophobicContact CD1-CG2 4.38Å; Y417-V421 HydrophobicContact CD2-CG1 4.34Å; Y417-V421 HydrophobicContact CE1-CG1 3.89Å; Y417-V421 HydrophobicContact CE1-CG2 4.15Å; Y417-V421 HydrophobicContact CE2-CG1 3.91Å; Y417-V421 PolarHBondContact O-N 3.3Å; L418-V421 HydrophobicContact CD2-CG2 4.46Å; L418-V421 WeakPolarHBondContact O-CG2 3.23Å; L418-V421 PolarHBondContact O-N 2.86Å; V421-I431 HydrophobicContact CB-CG2 4.41Å; V421-I431 HydrophobicContact CG1-CG2 3.92Å
422	V	89.1	Confident	80.5	Confident	18 Å²	18	47.8 Å²	47.8	11%	0.109	28%	0.278	C	S	.	.	H	α-helix	trans	-75.5	-42.9	177.4	172	0	0	0	0	111	H335 V368 L418	H335-V422 HydrophobicContact CB-CG2 4.3Å; V368-V422 HydrophobicContact CG2-CG2 3.48Å; V368-V422 VanDerWaalsContact CG2-CG2 3.48Å; L418-V422 VanDerWaalsContact O-CB 3.22Å; L418-V422 WeakPolarHBondContact O-CB 3.45Å; L418-V422 WeakPolarHBondContact O-CG2 2.73Å; L418-V422 PolarHBondContact O-N 3.44Å
423	N	86.7	Confident	78.6	Confident	117 Å²	117	47.8 Å²	47.8	63%	0.626	28%	0.281	S	S	*	.	H	α-helix	trans	-87.1	-5.5	-177.5	-64.7	-43.2	0	0	0	113.9	Y419	Y419-N423 VanDerWaalsContact O-CB 3.26Å; Y419-N423 WeakPolarHBondContact O-CB 3.4Å; Y419-N423 PolarHBondContact O-N 3.43Å; Y419-N423 PolarHBondContact O-ND2 3.47Å
424	S	82.9	Confident	76.6	Confident	43 Å²	43	53.6 Å²	53.6	30%	0.301	31%	0.312	S	S	.	.			trans	-74.4	131.9	178.2	-175.8	0	0	0	0	111.7	T420 A426 I431	T420-S424 VanDerWaalsContact O-CB 3.25Å; T420-S424 WeakPolarHBondContact O-CB 3.33Å; T420-S424 PolarHBondContact O-N 3.49Å; T420-S424 VanDerWaalsContact O-N 3.13Å; S424-A426 WeakPolarHBondContact OG-CB 3.41Å; S424-A426 PolarHBondContact OG-N 2.85Å; S424-A426 VanDerWaalsContact OG-N 3.11Å; S424-I431 WeakPolarHBondContact OG-CG1 3.1Å
425	S	75.6	Confident	74.7	Confident	129 Å²	129	57.3 Å²	57.3	90%	0.902	34%	0.338	S	S	*	.			trans	-85.5	-9.6	169.4	56.8	0	0	0	0	113.1
426	A	72.5	Confident	73.5	Confident	39 Å²	39	61 Å²	61	32%	0.322	36%	0.357	S	S	.	.	S	Bend	trans	-70.4	152.7	-177.6	0	0	0	0	0	111.1	S424 D430 I431	S424-A426 WeakPolarHBondContact OG-CB 3.41Å; S424-A426 PolarHBondContact OG-N 2.85Å; S424-A426 VanDerWaalsContact OG-N 3.11Å; A426-D430 HydrophobicContact CB-CB 4.21Å; A426-I431 HydrophobicContact CB-CG1 3.92Å; A426-I431 WeakPolarHBondContact O-CD1 3.45Å
427	P	65.4	Low	72.9	Confident	71 Å²	71	60.7 Å²	60.7	46%	0.461	36%	0.355	S	S	.	.			trans	-51.7	143.1	170.4	-24.9	33.9	0	0	0	110.9	E429 D430 I431	P427-E429 PolarHBondContact O-N 2.86Å; P427-D430 VanDerWaalsContact CD-OD2 3.23Å; P427-D430 WeakPolarHBondContact CD-OD2 3.2Å; P427-D430 WeakPolarHBondContact CG-OD2 3.44Å; P427-D430 PolarHBondContact O-N 3.39Å; P427-I431 WeakPolarHBondContact O-CG1 3.29Å; P427-I431 PolarHBondContact O-N 3.25Å
428	F	65.2	Low	72.4	Confident	20 Å²	20	61.5 Å²	61.5	9%	0.088	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-33.9	179.8	-178	-81.6	0	0	0	112.8	Y395 N397 R401 R403 D430	Y395-F428 AromaticContact CD1-CE2 3.66Å; Y395-F428 HydrophobicContact CD1-CE2 3.66Å; Y395-F428 HydrophobicContact CD1-CZ 4Å; Y395-F428 HydrophobicContact CE1-CD2 4.02Å; Y395-F428 AromaticContact CE1-CE2 3.28Å; Y395-F428 HydrophobicContact CE1-CE2 3.28Å; Y395-F428 HydrophobicContact CE1-CZ 4.08Å; N397-F428 HydrophobicContact CB-CD2 3.55Å; N397-F428 HydrophobicContact CB-CE2 3.45Å; N397-F428 VanDerWaalsContact CB-CE2 3.45Å; N397-F428 HydrophobicContact CB-CZ 4.4Å; R401-F428 HydrophobicContact CB-CD1 3.83Å; R401-F428 HydrophobicContact CB-CD2 4.48Å; R401-F428 HydrophobicContact CB-CE1 3.56Å; R401-F428 HydrophobicContact CB-CE2 4.24Å; R401-F428 HydrophobicContact CB-CG 4.29Å; R401-F428 HydrophobicContact CB-CZ 3.79Å; R401-F428 VanDerWaalsContact CD-CD1 3.46Å; R401-F428 HydrophobicContact CG-CD1 4.25Å; R401-F428 HydrophobicContact CG-CE1 4.43Å; R403-F428 HydrophobicContact CB-CZ 4.36Å; R403-F428 VanDerWaalsContact CD-CE1 3.48Å; R403-F428 HydrophobicContact CG-CE1 3.62Å; R403-F428 HydrophobicContact CG-CZ 3.75Å; R403-F428 PolarHBondContact NH1-O 3.12Å; R403-F428 PolarHBondContact NH2-O 2.71Å; F428-D430 VanDerWaalsContact C-N 3.31Å; F428-D430 PolarHBondContact O-N 3.13Å
429	E	65.4	Low	71.9	Confident	116 Å²	116	62.8 Å²	62.8	54%	0.542	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-31.5	177	-74.3	144.6	-152.3	0	0	112.9	R401 R403 P427	R401-E429 IonicContact CZ-OE1 3.27Å; R401-E429 VanDerWaalsContact CZ-OE1 3.27Å; R401-E429 IonicContact NE-OE1 3.27Å; R401-E429 PolarHBondContact NE-OE1 3.49Å; R401-E429 IonicContact NH2-OE1 2.7Å; R401-E429 PolarHBondContact NH2-OE1 3.27Å; R401-E429 IonicContact NH2-OE2 3.95Å; R403-E429 VanDerWaalsContact NH2-CA 3.35Å; R403-E429 PolarHBondContact NH2-O 2.83Å; P427-E429 PolarHBondContact O-N 2.86Å
430	D	61	Low	71.4	Confident	114 Å²	114	59.2 Å²	59.2	61%	0.61	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-13.3	-171.5	-62.4	-26.5	0	0	0	114.7	A426 P427 F428 A432	A426-D430 HydrophobicContact CB-CB 4.21Å; P427-D430 VanDerWaalsContact CD-OD2 3.23Å; P427-D430 WeakPolarHBondContact CD-OD2 3.2Å; P427-D430 WeakPolarHBondContact CG-OD2 3.44Å; P427-D430 PolarHBondContact O-N 3.39Å; F428-D430 VanDerWaalsContact C-N 3.31Å; F428-D430 PolarHBondContact O-N 3.13Å; D430-A432 PolarHBondContact O-N 2.8Å
431	I	59.5	Low	70.7	Confident	36 Å²	36	68 Å²	68	19%	0.185	38%	0.379	C	S	.	.	S	Bend	trans	-68.5	-21	-169.4	-65.9	173.9	0	0	0	113.5	V421 S424 A426 P427	V421-I431 HydrophobicContact CB-CG2 4.41Å; V421-I431 HydrophobicContact CG1-CG2 3.92Å; S424-I431 WeakPolarHBondContact OG-CG1 3.1Å; A426-I431 HydrophobicContact CB-CG1 3.92Å; A426-I431 WeakPolarHBondContact O-CD1 3.45Å; P427-I431 WeakPolarHBondContact O-CG1 3.29Å; P427-I431 PolarHBondContact O-N 3.25Å
432	A	54.7	Low	70	Confident	40 Å²	40	76.5 Å²	76.5	33%	0.331	41%	0.41	S	S	.	.	S	Bend	trans	-175.3	140.1	169.2	0	0	0	0	0	105.3	R403 D430	R403-A432 PolarHBondContact NH1-O 3.2Å; R403-A432 PolarHBondContact NH2-O 3.05Å; D430-A432 PolarHBondContact O-N 2.8Å
433	S	52.6	Low	69.5	Low	63 Å²	63	78.8 Å²	78.8	44%	0.441	42%	0.42	S	S	.	.			trans	-52.8	146.5	175	129.3	0	0	0	0	110.6	S435 D436	S433-S435 PolarHBondContact O-N 2.89Å; S433-S435 PolarHBondContact OG-OG 3.16Å; S433-D436 VanDerWaalsContact CB-OD2 3.26Å; S433-D436 WeakPolarHBondContact CB-OD2 3.36Å; S433-D436 PolarHBondContact OG-OD1 2.88Å; S433-D436 PolarHBondContact OG-OD2 2.96Å
434	D	49.4	Very low	69.5	Low	122 Å²	122	79.2 Å²	79.2	65%	0.652	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-3.9	-169.2	-127.9	19.4	0	0	0	114.2	R403	R403-D434 IonicContact CZ-OD1 3.64Å; R403-D434 IonicContact NE-OD1 2.75Å; R403-D434 PolarHBondContact NE-OD1 2.65Å; R403-D434 IonicContact NH2-OD1 3.73Å
435	S	55.6	Low	69.8	Low	79 Å²	79	77.9 Å²	77.9	55%	0.552	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	-17.9	-173.7	52.5	0	0	0	0	116.1	S433	S433-S435 PolarHBondContact O-N 2.89Å; S433-S435 PolarHBondContact OG-OG 3.16Å
436	D	68.8	Low	70.6	Confident	91 Å²	91	72 Å²	72	49%	0.487	36%	0.361	S	S	.	.	S	Bend	trans	-92.3	138.6	-159.9	-54.8	-22.5	0	0	0	112.1	S433 F438	S433-D436 VanDerWaalsContact CB-OD2 3.26Å; S433-D436 WeakPolarHBondContact CB-OD2 3.36Å; S433-D436 PolarHBondContact OG-OD1 2.88Å; S433-D436 PolarHBondContact OG-OD2 2.96Å; D436-F438 PolarHBondContact O-N 3.1Å; D436-F438 VanDerWaalsContact O-N 3.1Å
437	F	77.6	Confident	71.6	Confident	12 Å²	12	71.8 Å²	71.8	5%	0.053	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-56.5	116.3	176.9	179.6	-89.5	0	0	0	110.8	N406 D408 I439 L448 G452 T455 A456 T459 F460	N406-F437 WeakPolarHBondContact O-CA 3.44Å; N406-F437 WeakPolarHBondContact O-CD2 3.41Å; D408-F437 HydrophobicContact CB-CZ 4.46Å; F437-I439 HydrophobicContact CD1-CB 4.12Å; F437-I439 HydrophobicContact CE1-CB 3.82Å; F437-I439 HydrophobicContact CE1-CD1 3.97Å; F437-I439 HydrophobicContact CE1-CG1 3.93Å; F437-L448 HydrophobicContact CZ-CD2 4.39Å; F437-G452 VanDerWaalsContact CE2-O 3.27Å; F437-G452 WeakPolarHBondContact CE2-O 3.49Å; F437-T455 HydrophobicContact CB-CG2 4.38Å; F437-T455 HydrophobicContact CD2-CG2 3.58Å; F437-T455 HydrophobicContact CE2-CG2 4.37Å; F437-T455 HydrophobicContact CG-CG2 4.44Å; F437-A456 HydrophobicContact CD1-CB 4.31Å; F437-A456 HydrophobicContact CD2-CB 4.47Å; F437-A456 HydrophobicContact CE1-CB 3.83Å; F437-A456 HydrophobicContact CE2-CB 4.02Å; F437-A456 HydrophobicContact CZ-CB 3.67Å; F437-T459 HydrophobicContact CB-CG2 3.88Å; F437-T459 WeakPolarHBondContact CB-OG1 3.5Å; F437-F460 AromaticContact CD1-CE2 3.75Å; F437-F460 HydrophobicContact CD1-CE2 3.75Å; F437-F460 HydrophobicContact CE1-CE2 4.16Å
438	F	82.2	Confident	73	Confident	33 Å²	33	68.4 Å²	68.4	15%	0.145	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-71.2	133.3	173.7	174.4	-92.6	0	0	0	109.7	S407 N416 Y417 T420 D436	S407-F438 WeakPolarHBondContact CB-O 3.4Å; S407-F438 PolarHBondContact OG-O 2.87Å; N416-F438 HydrophobicContact CB-CE1 4.01Å; N416-F438 HydrophobicContact CB-CZ 4.26Å; Y417-F438 VanDerWaalsContact CA-CE1 3.44Å; Y417-F438 HydrophobicContact CD2-CB 4.01Å; Y417-F438 AromaticContact CD2-CD1 3.95Å; Y417-F438 HydrophobicContact CD2-CD1 3.95Å; Y417-F438 AromaticContact CD2-CD2 3.88Å; Y417-F438 HydrophobicContact CD2-CD2 3.88Å; Y417-F438 HydrophobicContact CD2-CE1 4.43Å; Y417-F438 HydrophobicContact CD2-CE2 4.35Å; Y417-F438 AromaticContact CD2-CG 3.65Å; Y417-F438 HydrophobicContact CD2-CG 3.65Å; Y417-F438 HydrophobicContact CG-CD1 4.39Å; Y417-F438 VanDerWaalsContact N-CE1 3.3Å; T420-F438 HydrophobicContact CG2-CE2 4.15Å; D436-F438 PolarHBondContact O-N 3.1Å; D436-F438 VanDerWaalsContact O-N 3.1Å
439	I	81.2	Confident	74.3	Confident	27 Å²	27	67.8 Å²	67.8	14%	0.138	33%	0.33	C	S	.	.			trans	-142.8	142.4	165.2	-149.1	-179.6	0	0	0	110.2	F437 R441 H446 F460 L495	F437-I439 HydrophobicContact CD1-CB 4.12Å; F437-I439 HydrophobicContact CE1-CB 3.82Å; F437-I439 HydrophobicContact CE1-CD1 3.97Å; F437-I439 HydrophobicContact CE1-CG1 3.93Å; I439-R441 PolarHBondContact O-N 3.4Å; I439-H446 HydrophobicContact CD1-CB 4.12Å; I439-H446 VanDerWaalsContact CD1-CD2 3.49Å; I439-H446 WeakPolarHBondContact CD1-CD2 3.3Å; I439-H446 VanDerWaalsContact CD1-CG 3.41Å; I439-H446 WeakPolarHBondContact CD1-ND1 3.45Å; I439-F460 HydrophobicContact CB-CZ 4.45Å; I439-F460 HydrophobicContact CG2-CE2 4.24Å; I439-F460 HydrophobicContact CG2-CZ 3.64Å; I439-L495 HydrophobicContact CD1-CD1 3.39Å; I439-L495 HydrophobicContact CD1-CD2 3.88Å; I439-L495 HydrophobicContact CD1-CG 4.28Å
440	S	78.1	Confident	75.5	Confident	7 Å²	7	62.6 Å²	62.6	5%	0.049	31%	0.306	C	S	.	.			trans	-66.6	116.4	179.2	-173.3	0	0	0	0	112.5	E413 N416 R442 Q443 H446	E413-S440 PolarHBondContact OE2-N 3.15Å; N416-S440 WeakPolarHBondContact ND2-CB 3.4Å; N416-S440 PolarHBondContact ND2-OG 3.34Å; S440-R442 PolarHBondContact O-N 2.91Å; S440-R442 VanDerWaalsContact O-N 3.08Å; S440-R442 WeakPolarHBondContact OG-CB 3.16Å; S440-R442 PolarHBondContact OG-N 3.37Å; S440-Q443 PolarHBondContact O-N 2.85Å; S440-H446 PolarHBondContact O-CE1 3.17Å
441	R	74.4	Confident	76.8	Confident	243 Å²	243	60.1 Å²	60.1	92%	0.917	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-4.8	170.8	-61.5	-173.3	-175	-172.2	1	113.9	I439 Q443	I439-R441 PolarHBondContact O-N 3.4Å; R441-Q443 VanDerWaalsContact C-N 3.29Å
442	R	71.8	Confident	78.3	Confident	187 Å²	187	58.4 Å²	58.4	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.1	179	-60.8	-177.8	176.7	-177.5	-0.9	112.6	S440	S440-R442 PolarHBondContact O-N 2.91Å; S440-R442 VanDerWaalsContact O-N 3.08Å; S440-R442 WeakPolarHBondContact OG-CB 3.16Å; S440-R442 PolarHBondContact OG-N 3.37Å
443	Q	79.9	Confident	80.1	Confident	66 Å²	66	56.7 Å²	56.7	31%	0.308	27%	0.267	S	S	.	.			trans	-116.2	142.8	-177.3	-64.4	-178.3	1.3	0	0	109.2	S440 R441 H446	S440-Q443 PolarHBondContact O-N 2.85Å; R441-Q443 VanDerWaalsContact C-N 3.29Å; Q443-H446 PolarHBondContact O-NE2 3.13Å
444	Y	84.8	Confident	81.8	Confident	126 Å²	126	58.3 Å²	58.3	49%	0.494	27%	0.27	S	S	.	.	S	Bend	trans	-94.7	-21.3	175.3	-55.9	-79.6	0	0	0	111.7	A486 E487	Y444-A486 WeakPolarHBondContact O-CB 3.31Å; Y444-E487 HydrophobicContact CD2-CB 4.4Å; Y444-E487 HydrophobicContact CD2-CG 3.64Å; Y444-E487 HydrophobicContact CE2-CG 4.35Å; Y444-E487 HydrophobicContact CG-CB 4.47Å; Y444-E487 HydrophobicContact CG-CG 4.01Å
445	L	90.9	Very high	83.6	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.073	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123.7	-176.7	176.3	64.9	0	0	0	109.9	F482 R483 A486 F496 Y498	L445-F482 HydrophobicContact CD1-CD1 3.5Å; L445-F482 HydrophobicContact CD1-CE1 3.38Å; L445-F482 HydrophobicContact CD2-CD1 4.15Å; L445-F482 HydrophobicContact CG-CD1 4.5Å; L445-R483 HydrophobicContact CD2-CB 3.81Å; L445-R483 HydrophobicContact CD2-CG 4.34Å; L445-A486 HydrophobicContact CB-CB 4.21Å; L445-F496 HydrophobicContact CD1-CB 3.95Å; L445-Y498 HydrophobicContact CD1-CD1 3.69Å; L445-Y498 HydrophobicContact CD1-CE1 4.43Å; L445-Y498 HydrophobicContact CD2-CD1 3.92Å; L445-Y498 HydrophobicContact CD2-CE1 4.08Å; L445-Y498 HydrophobicContact CG-CD1 3.56Å; L445-Y498 HydrophobicContact CG-CE1 3.8Å
446	H	92.2	Very high	85.2	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.9	-171.5	-61.3	-89.4	0	0	0	112.6	E413 I439 S440 Q443 L448 L495 F496 A497 Y498	E413-H446 IonicContact OE1-CE1 3.99Å; E413-H446 IonicContact OE1-CG 3.94Å; E413-H446 IonicContact OE1-ND1 2.83Å; E413-H446 PolarHBondContact OE1-ND1 2.89Å; I439-H446 HydrophobicContact CD1-CB 4.12Å; I439-H446 VanDerWaalsContact CD1-CD2 3.49Å; I439-H446 WeakPolarHBondContact CD1-CD2 3.3Å; I439-H446 VanDerWaalsContact CD1-CG 3.41Å; I439-H446 WeakPolarHBondContact CD1-ND1 3.45Å; S440-H446 PolarHBondContact O-CE1 3.17Å; Q443-H446 PolarHBondContact O-NE2 3.13Å; H446-L448 HydrophobicContact CB-CD2 4.13Å; H446-L448 HydrophobicContact CB-CG 4.3Å; H446-L448 PolarHBondContact O-N 2.79Å; H446-L495 VanDerWaalsContact CD2-CD1 3.47Å; H446-L495 WeakPolarHBondContact CD2-CD1 3.39Å; H446-F496 PolarHBondContact N-O 3.14Å; H446-A497 CarbonylContact O-C 3.59Å; H446-A497 WeakPolarHBondContact O-CA 3.39Å; H446-Y498 VanDerWaalsContact C-CE1 3.49Å; H446-Y498 WeakPolarHBondContact O-CD1 3.4Å; H446-Y498 PolarHBondContact O-N 2.83Å
447	L	93.1	Very high	86	Confident	34 Å²	34	46 Å²	46	18%	0.178	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.8	165.5	176.4	62.1	0	0	0	107.4	T410 Y498 D500	T410-L447 HydrophobicContact CG2-CB 4.49Å; T410-L447 HydrophobicContact CG2-CD2 4.04Å; T410-L447 HydrophobicContact CG2-CG 3.96Å; L447-Y498 WeakPolarHBondContact CA-O 3.33Å; L447-Y498 HydrophobicContact CB-CE1 3.84Å; L447-Y498 HydrophobicContact CB-CE2 4Å; L447-Y498 HydrophobicContact CD1-CD2 3.83Å; L447-Y498 HydrophobicContact CD1-CE2 3.56Å; L447-Y498 HydrophobicContact CG-CE2 4.27Å; L447-Y498 VanDerWaalsContact N-CE1 3.3Å; L447-D500 HydrophobicContact CD1-CB 4.43Å
448	L	93.8	Very high	86.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	23%	0.231	C	C	.	.			trans	-116.9	143.2	177.4	-60.1	-177.8	0	0	0	111.2	D408 F437 H446 L453 A456 A497 Y498	D408-L448 HydrophobicContact CB-CD2 3.81Å; F437-L448 HydrophobicContact CZ-CD2 4.39Å; H446-L448 HydrophobicContact CB-CD2 4.13Å; H446-L448 HydrophobicContact CB-CG 4.3Å; H446-L448 PolarHBondContact O-N 2.79Å; L448-L453 HydrophobicContact CB-CB 4.34Å; L448-L453 HydrophobicContact CD1-CB 4.39Å; L448-L453 HydrophobicContact CD1-CD1 4.42Å; L448-A456 HydrophobicContact CD1-CB 4.14Å; L448-A497 HydrophobicContact CD1-CB 3.51Å; L448-A497 HydrophobicContact CG-CB 3.92Å; L448-Y498 PolarHBondContact N-O 3.21Å
449	T	92.6	Very high	86.4	Confident	7 Å²	7	54 Å²	54	4%	0.043	24%	0.242	C	C	.	.			trans	-72.3	162.9	160.5	70.2	0	0	0	0	109.9	D408 T410 F451 G452 L453 Y504	D408-T449 WeakPolarHBondContact OD1-CA 3.5Å; D408-T449 VanDerWaalsContact OD1-CB 3.26Å; D408-T449 WeakPolarHBondContact OD1-CB 3.24Å; D408-T449 VanDerWaalsContact OD1-CG2 3.31Å; D408-T449 WeakPolarHBondContact OD1-CG2 3.45Å; D408-T449 PolarHBondContact OD1-N 3.29Å; D408-T449 PolarHBondContact OD1-OG1 2.96Å; T410-T449 HydrophobicContact CG2-CG2 4.01Å; T449-F451 VanDerWaalsContact C-N 3.26Å; T449-F451 PolarHBondContact O-N 3.44Å; T449-G452 PolarHBondContact O-N 2.8Å; T449-G452 PolarHBondContact OG1-N 2.95Å; T449-L453 WeakPolarHBondContact O-CB 3.41Å; T449-L453 PolarHBondContact O-N 3.26Å; T449-Y504 HydrophobicContact CG2-CE1 4.44Å; T449-Y504 HydrophobicContact CG2-CE2 4.47Å; T449-Y504 WeakPolarHBondContact CG2-OH 3.45Å
450	P	90.6	Very high	86.6	Confident	7 Å²	7	55.1 Å²	55.1	5%	0.045	25%	0.246	C	C	.	.	H	α-helix	trans	-53.8	-43.6	172.4	-28.6	36.5	0	0	0	112.6	L453 L454 Y504 F507	P450-L453 PolarHBondContact O-N 3Å; P450-L454 WeakPolarHBondContact O-CG 3.33Å; P450-L454 PolarHBondContact O-N 3.25Å; P450-Y504 VanDerWaalsContact CD-CE1 3.4Å; P450-Y504 VanDerWaalsContact CD-CG 3.45Å; P450-Y504 HydrophobicContact CG-CD1 3.56Å; P450-Y504 HydrophobicContact CG-CD2 4.48Å; P450-Y504 HydrophobicContact CG-CE1 4.24Å; P450-Y504 HydrophobicContact CG-CG 3.71Å; P450-F507 HydrophobicContact CB-CB 4.26Å; P450-F507 HydrophobicContact CB-CD1 3.85Å; P450-F507 HydrophobicContact CB-CD2 3.73Å; P450-F507 HydrophobicContact CB-CE1 4Å; P450-F507 HydrophobicContact CB-CE2 3.93Å; P450-F507 HydrophobicContact CB-CG 3.68Å; P450-F507 HydrophobicContact CB-CZ 4.06Å; P450-F507 HydrophobicContact CG-CB 3.75Å; P450-F507 HydrophobicContact CG-CD1 3.63Å; P450-F507 HydrophobicContact CG-CD2 4.16Å; P450-F507 HydrophobicContact CG-CE1 4.18Å; P450-F507 HydrophobicContact CG-CG 3.59Å
451	F	89.1	Confident	87	Confident	63 Å²	63	57.7 Å²	57.7	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-50.8	176.1	178	-97.2	0	0	0	111.8	F409 T449 L453 L454 T455	F409-F451 HydrophobicContact CE1-CD1 4.37Å; F409-F451 HydrophobicContact CE1-CE1 4.09Å; F409-F451 HydrophobicContact CE2-CD1 4.45Å; F409-F451 HydrophobicContact CZ-CD1 4.24Å; F409-F451 AromaticContact CZ-CE1 3.99Å; F409-F451 HydrophobicContact CZ-CE1 3.99Å; T449-F451 VanDerWaalsContact C-N 3.26Å; T449-F451 PolarHBondContact O-N 3.44Å; F451-L453 VanDerWaalsContact C-N 3.3Å; F451-L453 PolarHBondContact O-N 3.37Å; F451-L454 PolarHBondContact O-N 2.84Å; F451-L454 VanDerWaalsContact O-N 3.15Å; F451-T455 PolarHBondContact O-N 2.91Å; F451-T455 PolarHBondContact O-OG1 2.85Å
452	G	91.5	Very high	87.8	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-34.6	179.5	0	0	0	0	0	113	D408 F437 T449 A456	D408-G452 WeakPolarHBondContact OD1-CA 3.36Å; F437-G452 VanDerWaalsContact CE2-O 3.27Å; F437-G452 WeakPolarHBondContact CE2-O 3.49Å; T449-G452 PolarHBondContact O-N 2.8Å; T449-G452 PolarHBondContact OG1-N 2.95Å; G452-A456 WeakPolarHBondContact O-CB 3.5Å; G452-A456 PolarHBondContact O-N 2.88Å
453	L	91.3	Very high	88.8	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-44.7	172.8	174.5	59.1	0	0	0	111.8	L448 T449 P450 F451 A456 S457 V465 F467 V499 F507	L448-L453 HydrophobicContact CB-CB 4.34Å; L448-L453 HydrophobicContact CD1-CB 4.39Å; L448-L453 HydrophobicContact CD1-CD1 4.42Å; T449-L453 WeakPolarHBondContact O-CB 3.41Å; T449-L453 PolarHBondContact O-N 3.26Å; P450-L453 PolarHBondContact O-N 3Å; F451-L453 VanDerWaalsContact C-N 3.3Å; F451-L453 PolarHBondContact O-N 3.37Å; L453-A456 PolarHBondContact O-N 3.3Å; L453-S457 WeakPolarHBondContact O-CB 3.5Å; L453-S457 PolarHBondContact O-N 3.19Å; L453-S457 PolarHBondContact O-OG 3.37Å; L453-V465 HydrophobicContact CD1-CG1 4.41Å; L453-V465 HydrophobicContact CD1-CG2 3.45Å; L453-V465 VanDerWaalsContact CD1-CG2 3.45Å; L453-V465 HydrophobicContact CD2-CG1 4.16Å; L453-V465 HydrophobicContact CD2-CG2 4.34Å; L453-F467 HydrophobicContact CD2-CE1 4.05Å; L453-F467 HydrophobicContact CD2-CZ 3.77Å; L453-V499 HydrophobicContact CD2-CG2 4.15Å; L453-F507 HydrophobicContact CD2-CE1 4.08Å; L453-F507 HydrophobicContact CD2-CZ 4.04Å
454	L	88.4	Confident	89.5	Confident	97 Å²	97	40 Å²	40	51%	0.508	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-49.4	177.8	-69.8	170.7	0	0	0	110.9	P450 F451 A456 S457 E458	P450-L454 WeakPolarHBondContact O-CG 3.33Å; P450-L454 PolarHBondContact O-N 3.25Å; F451-L454 PolarHBondContact O-N 2.84Å; F451-L454 VanDerWaalsContact O-N 3.15Å; L454-A456 VanDerWaalsContact C-N 3.34Å; L454-A456 PolarHBondContact O-N 3.38Å; L454-S457 PolarHBondContact O-N 3.46Å; L454-S457 VanDerWaalsContact O-N 3.15Å; L454-S457 PolarHBondContact O-OG 3.44Å; L454-E458 PolarHBondContact O-N 3.39Å
455	T	87.6	Confident	90	Very high	22 Å²	22	34 Å²	34	14%	0.135	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-36.5	178.9	-44.7	0	0	0	0	112.4	F437 F451 S457 E458 T459	F437-T455 HydrophobicContact CB-CG2 4.38Å; F437-T455 HydrophobicContact CD2-CG2 3.58Å; F437-T455 HydrophobicContact CE2-CG2 4.37Å; F437-T455 HydrophobicContact CG-CG2 4.44Å; F451-T455 PolarHBondContact O-N 2.91Å; F451-T455 PolarHBondContact O-OG1 2.85Å; T455-S457 VanDerWaalsContact C-N 3.34Å; T455-E458 PolarHBondContact O-N 3.34Å; T455-T459 PolarHBondContact O-N 3.04Å; T455-T459 PolarHBondContact O-OG1 2.76Å
456	A	88.8	Confident	90.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-42.5	172.5	0	0	0	0	0	111.1	F437 L448 G452 L453 L454 E458 T459 F460 I463 L495	F437-A456 HydrophobicContact CD1-CB 4.31Å; F437-A456 HydrophobicContact CD2-CB 4.47Å; F437-A456 HydrophobicContact CE1-CB 3.83Å; F437-A456 HydrophobicContact CE2-CB 4.02Å; F437-A456 HydrophobicContact CZ-CB 3.67Å; L448-A456 HydrophobicContact CD1-CB 4.14Å; G452-A456 WeakPolarHBondContact O-CB 3.5Å; G452-A456 PolarHBondContact O-N 2.88Å; L453-A456 PolarHBondContact O-N 3.3Å; L454-A456 VanDerWaalsContact C-N 3.34Å; L454-A456 PolarHBondContact O-N 3.38Å; A456-E458 PolarHBondContact O-N 3.07Å; A456-T459 PolarHBondContact O-N 2.9Å; A456-F460 HydrophobicContact CB-CD2 4.27Å; A456-F460 WeakPolarHBondContact O-CD2 3.29Å; A456-F460 PolarHBondContact O-N 3.28Å; A456-I463 VanDerWaalsContact C-CD1 3.49Å; A456-I463 HydrophobicContact CB-CD1 3.88Å; A456-L495 HydrophobicContact CB-CD2 4.03Å
457	S	86.9	Confident	90.2	Very high	11 Å²	11	33.4 Å²	33.4	8%	0.077	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-27.9	-178.5	75.7	0	0	0	0	113.7	L453 L454 T455 T459 I463 A525	L453-S457 WeakPolarHBondContact O-CB 3.5Å; L453-S457 PolarHBondContact O-N 3.19Å; L453-S457 PolarHBondContact O-OG 3.37Å; L454-S457 PolarHBondContact O-N 3.46Å; L454-S457 VanDerWaalsContact O-N 3.15Å; L454-S457 PolarHBondContact O-OG 3.44Å; T455-S457 VanDerWaalsContact C-N 3.34Å; S457-T459 VanDerWaalsContact C-N 3.34Å; S457-I463 VanDerWaalsContact CA-CD1 3.44Å; S457-A525 WeakPolarHBondContact O-CB 3.27Å; S457-A525 PolarHBondContact O-N 2.06Å
458	E	84.5	Confident	90	Very high	153 Å²	153	32.1 Å²	32.1	72%	0.715	16%	0.159	S	C	*	.	H	α-helix	trans	-76.6	-22.4	172.6	-67.1	175.4	175.7	0	0	112.5	L454 T455 A456	L454-E458 PolarHBondContact O-N 3.39Å; T455-E458 PolarHBondContact O-N 3.34Å; A456-E458 PolarHBondContact O-N 3.07Å
459	T	83.5	Confident	89.7	Confident	61 Å²	61	32.2 Å²	32.2	37%	0.374	16%	0.159	S	C	.	.	H	α-helix	trans	-100.7	-40.4	-174.4	-53.2	0	0	0	0	113	F437 T455 A456 S457	F437-T459 HydrophobicContact CB-CG2 3.88Å; F437-T459 WeakPolarHBondContact CB-OG1 3.5Å; T455-T459 PolarHBondContact O-N 3.04Å; T455-T459 PolarHBondContact O-OG1 2.76Å; A456-T459 PolarHBondContact O-N 2.9Å; S457-T459 VanDerWaalsContact C-N 3.34Å
460	F	85.1	Confident	89.5	Confident	50 Å²	50	38.7 Å²	38.7	22%	0.219	18%	0.183	C	C	.	.			trans	-94.1	129.2	-178.6	-71.4	-86.4	0	0	0	110.3	F437 I439 A456 R462 I463 L495	F437-F460 AromaticContact CD1-CE2 3.75Å; F437-F460 HydrophobicContact CD1-CE2 3.75Å; F437-F460 HydrophobicContact CE1-CE2 4.16Å; I439-F460 HydrophobicContact CB-CZ 4.45Å; I439-F460 HydrophobicContact CG2-CE2 4.24Å; I439-F460 HydrophobicContact CG2-CZ 3.64Å; A456-F460 HydrophobicContact CB-CD2 4.27Å; A456-F460 WeakPolarHBondContact O-CD2 3.29Å; A456-F460 PolarHBondContact O-N 3.28Å; F460-R462 PolarHBondContact O-N 3.26Å; F460-I463 HydrophobicContact CB-CD1 4.09Å; F460-I463 HydrophobicContact CB-CG1 3.84Å; F460-L495 HydrophobicContact CB-CB 4.43Å; F460-L495 HydrophobicContact CD1-CB 4.12Å; F460-L495 HydrophobicContact CD2-CB 4.48Å; F460-L495 HydrophobicContact CD2-CD2 3.72Å; F460-L495 HydrophobicContact CE2-CD2 3.93Å; F460-L495 HydrophobicContact CG-CB 4.08Å; F460-L495 HydrophobicContact CG-CD2 4.15Å
461	P	86.9	Confident	89.1	Confident	61 Å²	61	42 Å²	42	40%	0.396	20%	0.203	S	C	.	.	S	Bend	trans	-64.5	-27.1	-179.8	26.6	-34.7	0	0	0	112	F493 A523 E524	P461-F493 HydrophobicContact CG-CB 4.29Å; P461-F493 HydrophobicContact CG-CD1 4.45Å; P461-A523 CarbonylContact O-C 3.53Å; P461-A523 VanDerWaalsContact O-CA 3.27Å; P461-A523 WeakPolarHBondContact O-CA 3.03Å; P461-E524 PolarHBondContact O-N 2.97Å
462	R	91	Very high	88.9	Confident	123 Å²	123	39.9 Å²	39.9	46%	0.464	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.9	179.4	-61.9	175.1	178.4	169.2	1.7	112	F460 F493 L494 L495 F521 Y522	F460-R462 PolarHBondContact O-N 3.26Å; R462-F493 WeakPolarHBondContact CB-O 3.4Å; R462-L494 HydrophobicContact CB-CD1 3.72Å; R462-L495 PolarHBondContact O-N 2.82Å; R462-F521 HydrophobicContact CB-CE2 3.91Å; R462-F521 HydrophobicContact CB-CZ 4.21Å; R462-F521 HydrophobicContact CG-CE2 4.21Å; R462-F521 HydrophobicContact CG-CZ 3.99Å; R462-Y522 VanDerWaalsContact CA-O 3.27Å; R462-Y522 WeakPolarHBondContact CA-O 3.41Å
463	I	92.7	Very high	88.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.3	177.5	-48.1	-175.5	0	0	0	109.6	A456 S457 F460 V465 L495 A497 F521 Y522	A456-I463 VanDerWaalsContact C-CD1 3.49Å; A456-I463 HydrophobicContact CB-CD1 3.88Å; S457-I463 VanDerWaalsContact CA-CD1 3.44Å; F460-I463 HydrophobicContact CB-CD1 4.09Å; F460-I463 HydrophobicContact CB-CG1 3.84Å; I463-V465 HydrophobicContact CB-CG2 4.44Å; I463-V465 HydrophobicContact CG2-CG2 3.56Å; I463-L495 CarbonylContact C-O 3.6Å; I463-L495 WeakPolarHBondContact CA-O 3.46Å; I463-L495 HydrophobicContact CB-CB 4.49Å; I463-L495 HydrophobicContact CD1-CD2 4.17Å; I463-L495 HydrophobicContact CG1-CB 4.17Å; I463-L495 HydrophobicContact CG1-CD2 4.4Å; I463-L495 HydrophobicContact CG2-CB 4.18Å; I463-L495 HydrophobicContact CG2-CD2 4.25Å; I463-L495 HydrophobicContact CG2-CG 4.26Å; I463-A497 HydrophobicContact CG2-CB 4.37Å; I463-F521 WeakPolarHBondContact O-CA 3.09Å; I463-Y522 PolarHBondContact N-O 3.21Å; I463-Y522 PolarHBondContact O-N 3.29Å
464	I	94.2	Very high	88.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.2	163.6	-59.5	166.6	0	0	0	107.9	F482 L494 L495 F496 A497 I519 K520 F521 F537 F541 L545	I464-F482 HydrophobicContact CB-CZ 4.29Å; I464-F482 HydrophobicContact CG2-CE2 3.68Å; I464-F482 HydrophobicContact CG2-CZ 3.69Å; I464-L494 HydrophobicContact CD1-CD1 4.09Å; I464-L494 HydrophobicContact CD1-CD2 3.85Å; I464-L494 HydrophobicContact CD1-CG 4.31Å; I464-L494 HydrophobicContact CG1-CD1 3.98Å; I464-L495 PolarHBondContact N-O 3.2Å; I464-F496 HydrophobicContact CB-CD1 4.33Å; I464-F496 HydrophobicContact CB-CE1 4.5Å; I464-F496 HydrophobicContact CD1-CD1 4.5Å; I464-F496 HydrophobicContact CD1-CE1 3.86Å; I464-F496 HydrophobicContact CD1-CZ 4.06Å; I464-A497 PolarHBondContact O-N 2.61Å; I464-I519 HydrophobicContact CG2-CG2 3.48Å; I464-I519 VanDerWaalsContact CG2-CG2 3.48Å; I464-K520 WeakPolarHBondContact CA-O 2.97Å; I464-F521 HydrophobicContact CG1-CD2 3.68Å; I464-F521 HydrophobicContact CG1-CE2 4.4Å; I464-F537 HydrophobicContact CD1-CE2 4.23Å; I464-F537 HydrophobicContact CD1-CZ 4.41Å; I464-F537 HydrophobicContact CG2-CE2 3.78Å; I464-F537 HydrophobicContact CG2-CZ 4.02Å; I464-F541 HydrophobicContact CD1-CD2 3.68Å; I464-F541 HydrophobicContact CD1-CE2 3.61Å; I464-L545 HydrophobicContact CD1-CD1 3.82Å
465	V	94.6	Very high	88.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.7	-177.9	-169.7	0	0	0	0	109.8	L453 I463 F467 A497 V499 I519 K520 Y522	L453-V465 HydrophobicContact CD1-CG1 4.41Å; L453-V465 HydrophobicContact CD1-CG2 3.45Å; L453-V465 VanDerWaalsContact CD1-CG2 3.45Å; L453-V465 HydrophobicContact CD2-CG1 4.16Å; L453-V465 HydrophobicContact CD2-CG2 4.34Å; I463-V465 HydrophobicContact CB-CG2 4.44Å; I463-V465 HydrophobicContact CG2-CG2 3.56Å; V465-F467 HydrophobicContact CB-CD2 4.28Å; V465-F467 HydrophobicContact CB-CE2 3.64Å; V465-F467 HydrophobicContact CB-CZ 4.05Å; V465-F467 HydrophobicContact CG1-CD1 4.49Å; V465-F467 HydrophobicContact CG1-CD2 3.97Å; V465-F467 HydrophobicContact CG1-CE1 4.09Å; V465-F467 HydrophobicContact CG1-CE2 3.5Å; V465-F467 VanDerWaalsContact CG1-CE2 3.5Å; V465-F467 HydrophobicContact CG1-CG 4.44Å; V465-F467 HydrophobicContact CG1-CZ 3.57Å; V465-A497 CarbonylContact C-O 3.49Å; V465-A497 VanDerWaalsContact CA-O 3.27Å; V465-A497 WeakPolarHBondContact CA-O 3.31Å; V465-A497 HydrophobicContact CG2-CB 4.45Å; V465-V499 HydrophobicContact CG1-CG2 3.9Å; V465-I519 WeakPolarHBondContact O-CA 3.49Å; V465-K520 PolarHBondContact N-O 3.42Å; V465-K520 PolarHBondContact O-N 3.32Å; V465-Y522 HydrophobicContact CB-CE2 3.97Å; V465-Y522 HydrophobicContact CG2-CD2 3.73Å; V465-Y522 HydrophobicContact CG2-CE2 3.49Å; V465-Y522 VanDerWaalsContact CG2-CE2 3.49Å
466	Y	94.6	Very high	88.6	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109	169.1	-174.8	-130.4	0	0	0	110.9	F468 C475 E478 I479 A497 Y498 V499 I519	Y466-F468 HydrophobicContact CD1-CB 4Å; Y466-F468 HydrophobicContact CD1-CD1 4.46Å; Y466-F468 HydrophobicContact CD1-CG 4.33Å; Y466-F468 HydrophobicContact CE1-CB 3.54Å; Y466-F468 HydrophobicContact CE1-CG 4.03Å; Y466-C475 WeakPolarHBondContact OH-CA 3.31Å; Y466-C475 PolarHBondContact OH-O 3.04Å; Y466-E478 HydrophobicContact CE1-CB 4.44Å; Y466-E478 VanDerWaalsContact OH-CB 3.29Å; Y466-E478 WeakPolarHBondContact OH-CB 3.37Å; Y466-E478 PolarHBondContact OH-OE2 3.37Å; Y466-I479 HydrophobicContact CD1-CB 4.4Å; Y466-I479 HydrophobicContact CD1-CG1 4.13Å; Y466-I479 HydrophobicContact CE1-CB 4.14Å; Y466-I479 HydrophobicContact CE1-CG1 4.36Å; Y466-A497 PolarHBondContact N-O 3.49Å; Y466-Y498 CarbonylContact O-C 3.6Å; Y466-Y498 WeakPolarHBondContact O-CA 3.38Å; Y466-Y498 VanDerWaalsContact O-CB 3.27Å; Y466-Y498 WeakPolarHBondContact O-CB 3.42Å; Y466-V499 PolarHBondContact O-N 3.26Å; Y466-I519 HydrophobicContact CD2-CD1 4.11Å; Y466-I519 HydrophobicContact CD2-CG1 3.4Å; Y466-I519 VanDerWaalsContact CD2-CG1 3.4Å; Y466-I519 HydrophobicContact CE2-CD1 4.36Å; Y466-I519 HydrophobicContact CE2-CG1 3.98Å; Y466-I519 HydrophobicContact CG-CG1 4.37Å
467	F	93.3	Very high	88.6	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.8	171.6	-59.8	-93.6	0	0	0	108.9	L453 V465 V499 F507 V512 S517 L518 K520 Y522	L453-F467 HydrophobicContact CD2-CE1 4.05Å; L453-F467 HydrophobicContact CD2-CZ 3.77Å; V465-F467 HydrophobicContact CB-CD2 4.28Å; V465-F467 HydrophobicContact CB-CE2 3.64Å; V465-F467 HydrophobicContact CB-CZ 4.05Å; V465-F467 HydrophobicContact CG1-CD1 4.49Å; V465-F467 HydrophobicContact CG1-CD2 3.97Å; V465-F467 HydrophobicContact CG1-CE1 4.09Å; V465-F467 HydrophobicContact CG1-CE2 3.5Å; V465-F467 VanDerWaalsContact CG1-CE2 3.5Å; V465-F467 HydrophobicContact CG1-CG 4.44Å; V465-F467 HydrophobicContact CG1-CZ 3.57Å; F467-V499 HydrophobicContact CD1-CB 3.81Å; F467-V499 HydrophobicContact CD1-CG1 4.29Å; F467-V499 HydrophobicContact CD1-CG2 4.18Å; F467-V499 HydrophobicContact CE1-CB 4.09Å; F467-V499 HydrophobicContact CE1-CG2 3.96Å; F467-F507 HydrophobicContact CE1-CD1 4.5Å; F467-F507 AromaticContact CE1-CE1 3.82Å; F467-F507 HydrophobicContact CE1-CE1 3.82Å; F467-V512 HydrophobicContact CB-CB 4.17Å; F467-V512 HydrophobicContact CB-CG1 3.65Å; F467-V512 HydrophobicContact CB-CG2 3.4Å; F467-V512 HydrophobicContact CD1-CG2 4.13Å; F467-V512 HydrophobicContact CG-CG2 3.82Å; F467-S517 CarbonylContact O-C 3.54Å; F467-S517 VanDerWaalsContact O-CA 3.3Å; F467-S517 WeakPolarHBondContact O-CA 3.44Å; F467-L518 HydrophobicContact CB-CB 4.19Å; F467-L518 HydrophobicContact CD2-CB 4.46Å; F467-L518 PolarHBondContact N-O 3.16Å; F467-L518 PolarHBondContact O-N 2.89Å; F467-K520 HydrophobicContact CD2-CG 4.38Å; F467-K520 HydrophobicContact CE2-CB 3.99Å; F467-K520 HydrophobicContact CE2-CD 3.93Å; F467-K520 HydrophobicContact CE2-CG 3.94Å; F467-Y522 HydrophobicContact CE2-CE2 4.38Å; F467-Y522 WeakPolarHBondContact CZ-OH 3.44Å
468	F	90.1	Very high	88.8	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.3	-174.4	82.6	-66.3	0	0	0	112.6	Y466 R470 C475 I479 Y498 V499 D500 C501	Y466-F468 HydrophobicContact CD1-CB 4Å; Y466-F468 HydrophobicContact CD1-CD1 4.46Å; Y466-F468 HydrophobicContact CD1-CG 4.33Å; Y466-F468 HydrophobicContact CE1-CB 3.54Å; Y466-F468 HydrophobicContact CE1-CG 4.03Å; F468-R470 HydrophobicContact CE2-CB 4.02Å; F468-R470 HydrophobicContact CE2-CG 4.38Å; F468-R470 HydrophobicContact CZ-CB 4.47Å; F468-C475 HydrophobicContact CB-CB 4.19Å; F468-C475 HydrophobicContact CD2-CB 4.35Å; F468-I479 HydrophobicContact CD1-CD1 4.3Å; F468-I479 HydrophobicContact CE1-CD1 3.96Å; F468-I479 HydrophobicContact CE2-CD1 4.23Å; F468-I479 HydrophobicContact CZ-CD1 3.9Å; F468-Y498 HydrophobicContact CD1-CD2 4.31Å; F468-Y498 AromaticContact CE1-CD2 3.65Å; F468-Y498 HydrophobicContact CE1-CD2 3.65Å; F468-Y498 HydrophobicContact CE1-CE2 4.21Å; F468-Y498 HydrophobicContact CZ-CD2 4.38Å; F468-V499 WeakPolarHBondContact CD1-O 3.19Å; F468-V499 PolarHBondContact N-O 3.38Å; F468-D500 HydrophobicContact CE1-CB 4.09Å; F468-D500 HydrophobicContact CZ-CB 4.42Å; F468-C501 WeakPolarHBondContact O-CB 3.42Å; F468-C501 PolarHBondContact O-N 3.26Å
469	L	87.5	Confident	89.1	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.236	C	C	.	.			trans	-88.6	118.1	166.5	-64.5	176.9	0	0	0	109.5	A298 T471 C472 C501 V502 I513 N516	A298-L469 HydrophobicContact CB-CD1 4.47Å; A298-L469 HydrophobicContact CB-CD2 4Å; L469-T471 PolarHBondContact O-N 3.24Å; L469-T471 VanDerWaalsContact O-N 3.15Å; L469-C472 HydrophobicContact CB-CB 4.16Å; L469-C472 VanDerWaalsContact O-CB 3.31Å; L469-C472 WeakPolarHBondContact O-CB 3.31Å; L469-C472 PolarHBondContact O-N 3.12Å; L469-C501 HydrophobicContact CD2-CB 3.89Å; L469-V502 HydrophobicContact CB-CG2 4.43Å; L469-V502 HydrophobicContact CD2-CG2 4.12Å; L469-I513 HydrophobicContact CD2-CG1 4.49Å; L469-N516 HydrophobicContact CD1-CB 4.41Å; L469-N516 PolarHBondContact N-O 3.25Å
470	R	86.5	Confident	89.4	Confident	143 Å²	143	47.2 Å²	47.2	54%	0.54	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.4	175.6	-167.7	-175.5	-61.9	-163.6	-2.6	113.3	F468 C472 D500 V502	F468-R470 HydrophobicContact CE2-CB 4.02Å; F468-R470 HydrophobicContact CE2-CG 4.38Å; F468-R470 HydrophobicContact CZ-CB 4.47Å; R470-C472 PolarHBondContact O-N 3.49Å; R470-D500 IonicContact CZ-OD2 3.3Å; R470-D500 IonicContact NE-OD2 2.85Å; R470-D500 PolarHBondContact NE-OD2 3.25Å; R470-D500 IonicContact NH2-OD2 3.68Å; R470-D500 PolarHBondContact NH2-OD2 3.4Å; R470-V502 HydrophobicContact CB-CG2 4.17Å
471	T	82.4	Confident	89.8	Confident	77 Å²	77	50.2 Å²	50.2	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.8	175	51.4	0	0	0	0	113.6	A301 L469 V502	A301-T471 HydrophobicContact CB-CG2 4.49Å; L469-T471 PolarHBondContact O-N 3.24Å; L469-T471 VanDerWaalsContact O-N 3.15Å; T471-V502 HydrophobicContact CG2-CG2 4.31Å
472	C	85.1	Confident	90.1	Very high	19 Å²	19	47.3 Å²	47.3	13%	0.128	24%	0.237	C	C	.	.			trans	-93.9	109.7	177	161.5	0	0	0	0	110.4	L469 R470 R474 C475 V476 N516	L469-C472 HydrophobicContact CB-CB 4.16Å; L469-C472 VanDerWaalsContact O-CB 3.31Å; L469-C472 WeakPolarHBondContact O-CB 3.31Å; L469-C472 PolarHBondContact O-N 3.12Å; R470-C472 PolarHBondContact O-N 3.49Å; C472-R474 PolarHBondContact O-N 3.05Å; C472-C475 HydrophobicContact CB-CB 3.67Å; C472-C475 WeakPolarHBondContact CB-SG 3.23Å; C472-C475 WeakPolarHBondContact O-CB 3.06Å; C472-C475 PolarHBondContact O-N 2.85Å; C472-C475 WeakPolarHBondContact SG-CB 3.39Å; C472-C475 PolarHBondContact SG-N 3.33Å; C472-C475 CovalentContact SG-SG 2.06Å; C472-C475 PolarHBondContact SG-SG 2.93Å; C472-V476 PolarHBondContact O-N 3.49Å; C472-V476 VanDerWaalsContact O-N 3.1Å; C472-N516 HydrophobicContact CB-CB 4.47Å
473	E	86.5	Confident	90.2	Very high	178 Å²	178	47 Å²	47	83%	0.832	24%	0.236	S	C	*	.	H	α-helix	trans	-58.8	-43	-178.5	-173	179.3	-179.3	0	0	112.8	C475 V476 G477	E473-C475 PolarHBondContact O-N 3.13Å; E473-V476 PolarHBondContact O-N 3.17Å; E473-G477 PolarHBondContact O-N 3.08Å; E473-G477 VanDerWaalsContact O-N 3.15Å
474	R	90	Very high	90.1	Very high	111 Å²	111	50.4 Å²	50.4	42%	0.419	26%	0.259	S	S	.	.	H	α-helix	trans	-54.6	-43.8	173.4	178.8	-179.5	66.9	92.2	-0.3	111.4	C472 V476 G477 E478 S517	C472-R474 PolarHBondContact O-N 3.05Å; R474-V476 VanDerWaalsContact C-N 3.34Å; R474-V476 PolarHBondContact O-N 3.29Å; R474-G477 PolarHBondContact O-N 2.87Å; R474-G477 VanDerWaalsContact O-N 3.12Å; R474-E478 IonicContact CZ-OE1 3.67Å; R474-E478 VanDerWaalsContact NH1-CD 3.32Å; R474-E478 IonicContact NH1-OE1 2.78Å; R474-E478 PolarHBondContact NH1-OE1 3.12Å; R474-E478 IonicContact NH1-OE2 2.68Å; R474-E478 PolarHBondContact NH1-OE2 3.24Å; R474-E478 PolarHBondContact O-N 2.73Å; R474-S517 PolarHBondContact NH2-OG 3.34Å; R474-S517 VanDerWaalsContact NH2-OG 3.13Å
475	C	89.4	Confident	89.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.6	-35.4	-175.8	-51.1	0	0	0	0	111.6	Y466 F468 C472 E473 G477 E478 I479	Y466-C475 WeakPolarHBondContact OH-CA 3.31Å; Y466-C475 PolarHBondContact OH-O 3.04Å; F468-C475 HydrophobicContact CB-CB 4.19Å; F468-C475 HydrophobicContact CD2-CB 4.35Å; C472-C475 HydrophobicContact CB-CB 3.67Å; C472-C475 WeakPolarHBondContact CB-SG 3.23Å; C472-C475 WeakPolarHBondContact O-CB 3.06Å; C472-C475 PolarHBondContact O-N 2.85Å; C472-C475 WeakPolarHBondContact SG-CB 3.39Å; C472-C475 PolarHBondContact SG-N 3.33Å; C472-C475 CovalentContact SG-SG 2.06Å; C472-C475 PolarHBondContact SG-SG 2.93Å; E473-C475 PolarHBondContact O-N 3.13Å; C475-G477 VanDerWaalsContact C-N 3.32Å; C475-G477 PolarHBondContact O-N 2.95Å; C475-E478 PolarHBondContact O-N 3.45Å; C475-I479 PolarHBondContact O-N 3.33Å
476	V	87.2	Confident	89.7	Confident	70 Å²	70	51.5 Å²	51.5	42%	0.424	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-34.9	171.5	177.5	0	0	0	0	111.6	C472 E473 R474 I479	C472-V476 PolarHBondContact O-N 3.49Å; C472-V476 VanDerWaalsContact O-N 3.1Å; E473-V476 PolarHBondContact O-N 3.17Å; R474-V476 VanDerWaalsContact C-N 3.34Å; R474-V476 PolarHBondContact O-N 3.29Å; V476-I479 WeakPolarHBondContact O-CG2 3.39Å
477	G	88.2	Confident	89.4	Confident	41 Å²	41	56.5 Å²	56.5	42%	0.423	29%	0.289	S	S	.	.	H	α-helix	trans	-69	-40.3	172.6	0	0	0	0	0	113.1	E473 R474 C475 I479 A480	E473-G477 PolarHBondContact O-N 3.08Å; E473-G477 VanDerWaalsContact O-N 3.15Å; R474-G477 PolarHBondContact O-N 2.87Å; R474-G477 VanDerWaalsContact O-N 3.12Å; C475-G477 VanDerWaalsContact C-N 3.32Å; C475-G477 PolarHBondContact O-N 2.95Å; G477-I479 PolarHBondContact O-N 3.35Å; G477-A480 PolarHBondContact O-N 3.23Å
478	E	91.6	Very high	89.1	Confident	17 Å²	17	59.4 Å²	59.4	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-67	-32.6	179.6	-75.9	173.7	-177.6	0	0	113	Y466 R474 C475 A480 K481 F482 W534	Y466-E478 HydrophobicContact CE1-CB 4.44Å; Y466-E478 VanDerWaalsContact OH-CB 3.29Å; Y466-E478 WeakPolarHBondContact OH-CB 3.37Å; Y466-E478 PolarHBondContact OH-OE2 3.37Å; R474-E478 IonicContact CZ-OE1 3.67Å; R474-E478 VanDerWaalsContact NH1-CD 3.32Å; R474-E478 IonicContact NH1-OE1 2.78Å; R474-E478 PolarHBondContact NH1-OE1 3.12Å; R474-E478 IonicContact NH1-OE2 2.68Å; R474-E478 PolarHBondContact NH1-OE2 3.24Å; R474-E478 PolarHBondContact O-N 2.73Å; C475-E478 PolarHBondContact O-N 3.45Å; E478-A480 PolarHBondContact O-N 3.43Å; E478-K481 WeakPolarHBondContact O-CB 3.49Å; E478-K481 PolarHBondContact O-N 3.1Å; E478-K481 VanDerWaalsContact O-N 3.1Å; E478-F482 WeakPolarHBondContact O-CB 3.46Å; E478-F482 PolarHBondContact O-N 3.46Å; E478-W534 HydrophobicContact CB-CE3 4.25Å; E478-W534 HydrophobicContact CG-CB 4.31Å; E478-W534 HydrophobicContact CG-CD2 4.43Å; E478-W534 HydrophobicContact CG-CE3 4.39Å; E478-W534 HydrophobicContact CG-CG 4.38Å
479	I	90.4	Very high	88.8	Confident	23 Å²	23	59.6 Å²	59.6	12%	0.118	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-30.8	176.6	-152.1	169.1	0	0	0	112.5	Y466 F468 C475 V476 G477 F482 R483 Y498	Y466-I479 HydrophobicContact CD1-CB 4.4Å; Y466-I479 HydrophobicContact CD1-CG1 4.13Å; Y466-I479 HydrophobicContact CE1-CB 4.14Å; Y466-I479 HydrophobicContact CE1-CG1 4.36Å; F468-I479 HydrophobicContact CD1-CD1 4.3Å; F468-I479 HydrophobicContact CE1-CD1 3.96Å; F468-I479 HydrophobicContact CE2-CD1 4.23Å; F468-I479 HydrophobicContact CZ-CD1 3.9Å; C475-I479 PolarHBondContact O-N 3.33Å; V476-I479 WeakPolarHBondContact O-CG2 3.39Å; G477-I479 PolarHBondContact O-N 3.35Å; I479-F482 PolarHBondContact O-N 2.77Å; I479-R483 WeakPolarHBondContact O-CB 3.39Å; I479-R483 PolarHBondContact O-N 3.49Å; I479-Y498 HydrophobicContact CD1-CD2 3.53Å; I479-Y498 HydrophobicContact CD1-CE2 3.72Å; I479-Y498 HydrophobicContact CD1-CG 4.03Å
480	A	90.2	Very high	88.1	Confident	61 Å²	61	63.3 Å²	63.3	50%	0.504	34%	0.336	S	S	.	.	H	α-helix	trans	-69.4	-39.6	176	0	0	0	0	0	111.3	G477 E478 R483 S484	G477-A480 PolarHBondContact O-N 3.23Å; E478-A480 PolarHBondContact O-N 3.43Å; A480-R483 PolarHBondContact O-N 2.67Å; A480-S484 PolarHBondContact O-N 2.75Å; A480-S484 VanDerWaalsContact O-N 3.09Å
481	K	92.8	Very high	87	Confident	114 Å²	114	61.1 Å²	61.1	50%	0.496	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-42.6	172.8	-58	-178.9	-178.4	178.9	0	111.1	E478 R483 S484 L485 W534	E478-K481 WeakPolarHBondContact O-CB 3.49Å; E478-K481 PolarHBondContact O-N 3.1Å; E478-K481 VanDerWaalsContact O-N 3.1Å; K481-R483 VanDerWaalsContact C-N 3.33Å; K481-R483 PolarHBondContact O-N 2.84Å; K481-S484 PolarHBondContact O-N 2.93Å; K481-L485 PolarHBondContact O-N 3.23Å; K481-W534 HydrophobicContact CB-CH2 3.73Å; K481-W534 HydrophobicContact CB-CZ2 3.43Å; K481-W534 VanDerWaalsContact CB-CZ2 3.43Å; K481-W534 HydrophobicContact CB-CZ3 4.48Å; K481-W534 HydrophobicContact CD-CD2 4.48Å; K481-W534 HydrophobicContact CD-CZ2 4.18Å; K481-W534 HydrophobicContact CG-CZ2 4.47Å
482	F	93.6	Very high	86.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-40.5	177.4	-165.9	-116.1	0	0	0	112.4	L445 I464 E478 I479 L485 A486 F496 A497 W534 F537	L445-F482 HydrophobicContact CD1-CD1 3.5Å; L445-F482 HydrophobicContact CD1-CE1 3.38Å; L445-F482 HydrophobicContact CD2-CD1 4.15Å; L445-F482 HydrophobicContact CG-CD1 4.5Å; I464-F482 HydrophobicContact CB-CZ 4.29Å; I464-F482 HydrophobicContact CG2-CE2 3.68Å; I464-F482 HydrophobicContact CG2-CZ 3.69Å; E478-F482 WeakPolarHBondContact O-CB 3.46Å; E478-F482 PolarHBondContact O-N 3.46Å; I479-F482 PolarHBondContact O-N 2.77Å; F482-L485 WeakPolarHBondContact O-CB 3.25Å; F482-L485 PolarHBondContact O-N 3.17Å; F482-A486 WeakPolarHBondContact O-CB 3.35Å; F482-A486 PolarHBondContact O-N 2.8Å; F482-F496 HydrophobicContact CE1-CB 4.37Å; F482-F496 HydrophobicContact CE1-CD1 4.18Å; F482-F496 AromaticContact CE2-CD1 3.79Å; F482-F496 HydrophobicContact CE2-CD1 3.79Å; F482-F496 HydrophobicContact CE2-CE1 4.21Å; F482-F496 HydrophobicContact CZ-CB 4.41Å; F482-F496 AromaticContact CZ-CD1 3.6Å; F482-F496 HydrophobicContact CZ-CD1 3.6Å; F482-F496 HydrophobicContact CZ-CE1 4.43Å; F482-F496 HydrophobicContact CZ-CG 4.48Å; F482-A497 WeakPolarHBondContact CE1-O 3.23Å; F482-W534 HydrophobicContact CB-CH2 3.99Å; F482-W534 HydrophobicContact CB-CZ3 3.86Å; F482-W534 HydrophobicContact CD2-CH2 4.14Å; F482-W534 AromaticContact CD2-CZ3 3.91Å; F482-W534 HydrophobicContact CD2-CZ3 3.91Å; F482-W534 HydrophobicContact CG-CZ3 4.34Å; F482-F537 HydrophobicContact CD2-CE1 4.11Å; F482-F537 HydrophobicContact CD2-CZ 4.3Å; F482-F537 HydrophobicContact CE2-CE1 4.17Å; F482-F537 AromaticContact CE2-CZ 3.9Å; F482-F537 HydrophobicContact CE2-CZ 3.9Å
483	R	92.5	Very high	85.6	Confident	117 Å²	117	66.9 Å²	66.9	44%	0.442	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-48.7	171.9	-177.6	178.9	-65.4	157.7	1.2	112.2	L445 I479 A480 K481 L485 A486 E487	L445-R483 HydrophobicContact CD2-CB 3.81Å; L445-R483 HydrophobicContact CD2-CG 4.34Å; I479-R483 WeakPolarHBondContact O-CB 3.39Å; I479-R483 PolarHBondContact O-N 3.49Å; A480-R483 PolarHBondContact O-N 2.67Å; K481-R483 VanDerWaalsContact C-N 3.33Å; K481-R483 PolarHBondContact O-N 2.84Å; R483-L485 PolarHBondContact O-N 3.44Å; R483-A486 WeakPolarHBondContact O-CB 3.4Å; R483-A486 PolarHBondContact O-N 2.79Å; R483-A486 VanDerWaalsContact O-N 3.16Å; R483-E487 HydrophobicContact CG-CG 4.45Å; R483-E487 WeakPolarHBondContact CG-OE1 3.37Å; R483-E487 WeakPolarHBondContact O-CG 3.43Å; R483-E487 PolarHBondContact O-N 3.34Å
484	S	91.1	Very high	85.6	Confident	71 Å²	71	59.6 Å²	59.6	50%	0.497	33%	0.333	S	S	.	.	H	α-helix	trans	-59.5	-38.4	178	-179	0	0	0	0	111.9	A480 K481 E487 S488	A480-S484 PolarHBondContact O-N 2.75Å; A480-S484 VanDerWaalsContact O-N 3.09Å; K481-S484 PolarHBondContact O-N 2.93Å; S484-E487 PolarHBondContact O-N 2.73Å; S484-S488 WeakPolarHBondContact O-CB 3.17Å; S484-S488 PolarHBondContact O-N 2.84Å; S484-S488 PolarHBondContact O-OG 3.3Å
485	L	90.3	Very high	85.6	Confident	20 Å²	20	54.8 Å²	54.8	11%	0.105	32%	0.316	C	S	.	.	H	α-helix	trans	-63.1	-47.6	175	-169.1	65	0	0	0	111.6	K481 F482 R483 E487 S488 T489 F496 F537 F541	K481-L485 PolarHBondContact O-N 3.23Å; F482-L485 WeakPolarHBondContact O-CB 3.25Å; F482-L485 PolarHBondContact O-N 3.17Å; R483-L485 PolarHBondContact O-N 3.44Å; L485-E487 PolarHBondContact O-N 2.78Å; L485-S488 PolarHBondContact O-N 3.44Å; L485-S488 PolarHBondContact O-OG 3.4Å; L485-T489 PolarHBondContact O-N 2.9Å; L485-T489 PolarHBondContact O-OG1 2.81Å; L485-F496 HydrophobicContact CD2-CE1 4.2Å; L485-F496 HydrophobicContact CG-CE1 4.26Å; L485-F537 HydrophobicContact CD2-CE1 3.53Å; L485-F537 HydrophobicContact CD2-CZ 3.64Å; L485-F541 HydrophobicContact CD1-CD1 3.65Å; L485-F541 HydrophobicContact CD1-CE1 3.43Å; L485-F541 VanDerWaalsContact CD1-CE1 3.43Å; L485-F541 HydrophobicContact CD1-CZ 4.15Å; L485-F541 HydrophobicContact CD2-CD1 3.85Å; L485-F541 HydrophobicContact CD2-CD2 4.07Å; L485-F541 HydrophobicContact CD2-CE1 4.01Å; L485-F541 HydrophobicContact CD2-CE2 4.23Å; L485-F541 HydrophobicContact CD2-CG 3.89Å; L485-F541 HydrophobicContact CD2-CZ 4.2Å; L485-F541 HydrophobicContact CG-CD1 4.1Å; L485-F541 HydrophobicContact CG-CE1 3.8Å; L485-F541 HydrophobicContact CG-CZ 4.04Å
486	A	90.9	Very high	85.8	Confident	2 Å²	2	55 Å²	55	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-59.5	-44.6	177.7	0	0	0	0	0	112.1	Y444 L445 F482 R483 S488 T489 F496	Y444-A486 WeakPolarHBondContact O-CB 3.31Å; L445-A486 HydrophobicContact CB-CB 4.21Å; F482-A486 WeakPolarHBondContact O-CB 3.35Å; F482-A486 PolarHBondContact O-N 2.8Å; R483-A486 WeakPolarHBondContact O-CB 3.4Å; R483-A486 PolarHBondContact O-N 2.79Å; R483-A486 VanDerWaalsContact O-N 3.16Å; A486-S488 VanDerWaalsContact C-N 3.3Å; A486-S488 PolarHBondContact O-N 3.48Å; A486-T489 PolarHBondContact O-N 3.14Å; A486-F496 HydrophobicContact CB-CB 3.66Å; A486-F496 HydrophobicContact CB-CD1 3.8Å; A486-F496 HydrophobicContact CB-CD2 3.85Å; A486-F496 HydrophobicContact CB-CE1 4.38Å; A486-F496 HydrophobicContact CB-CE2 4.42Å; A486-F496 HydrophobicContact CB-CG 3.5Å
487	E	88.5	Confident	86.2	Confident	106 Å²	106	51.7 Å²	51.7	50%	0.495	30%	0.297	S	S	.	.	H	α-helix	trans	-62.2	-35.7	176.5	-73.5	169.8	-175.6	0	0	112.7	Y444 R483 S484 L485 T489	Y444-E487 HydrophobicContact CD2-CB 4.4Å; Y444-E487 HydrophobicContact CD2-CG 3.64Å; Y444-E487 HydrophobicContact CE2-CG 4.35Å; Y444-E487 HydrophobicContact CG-CB 4.47Å; Y444-E487 HydrophobicContact CG-CG 4.01Å; R483-E487 HydrophobicContact CG-CG 4.45Å; R483-E487 WeakPolarHBondContact CG-OE1 3.37Å; R483-E487 WeakPolarHBondContact O-CG 3.43Å; R483-E487 PolarHBondContact O-N 3.34Å; S484-E487 PolarHBondContact O-N 2.73Å; L485-E487 PolarHBondContact O-N 2.78Å; E487-T489 VanDerWaalsContact C-N 3.31Å; E487-T489 PolarHBondContact O-N 2.73Å
488	S	85.9	Confident	86.5	Confident	68 Å²	68	51.8 Å²	51.8	48%	0.476	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.8	-179.4	73.8	0	0	0	0	114.4	S484 L485 A486	S484-S488 WeakPolarHBondContact O-CB 3.17Å; S484-S488 PolarHBondContact O-N 2.84Å; S484-S488 PolarHBondContact O-OG 3.3Å; L485-S488 PolarHBondContact O-N 3.44Å; L485-S488 PolarHBondContact O-OG 3.4Å; A486-S488 VanDerWaalsContact C-N 3.3Å; A486-S488 PolarHBondContact O-N 3.48Å
489	T	83.8	Confident	86.6	Confident	12 Å²	12	51 Å²	51	7%	0.074	28%	0.281	C	S	.	.	S	Bend	trans	-103.2	123	-175.1	-53.4	0	0	0	0	110.7	L485 A486 E487 S491 L494 F496 F541	L485-T489 PolarHBondContact O-N 2.9Å; L485-T489 PolarHBondContact O-OG1 2.81Å; A486-T489 PolarHBondContact O-N 3.14Å; E487-T489 VanDerWaalsContact C-N 3.31Å; E487-T489 PolarHBondContact O-N 2.73Å; T489-S491 PolarHBondContact O-N 2.97Å; T489-L494 HydrophobicContact CG2-CD2 4.24Å; T489-F496 HydrophobicContact CG2-CE2 3.97Å; T489-F496 HydrophobicContact CG2-CZ 4.22Å; T489-F541 HydrophobicContact CG2-CZ 4.1Å; T489-F541 WeakPolarHBondContact OG1-CZ 3.37Å
490	P	72.3	Confident	86.7	Confident	80 Å²	80	49.9 Å²	49.9	52%	0.519	28%	0.275	S	S	.	.			trans	-56	128	174.4	-24.7	33.5	0	0	0	112.2	T492	P490-T492 PolarHBondContact O-N 3.07Å
491	S	64.3	Low	86.7	Confident	96 Å²	96	47 Å²	47	67%	0.671	25%	0.251	S	S	*	.			trans	-90.9	44.8	-165.3	66.9	0	0	0	0	114.7	T489	T489-S491 PolarHBondContact O-N 2.97Å
492	T	65.6	Low	86.6	Confident	90 Å²	90	41.8 Å²	41.8	55%	0.552	23%	0.229	S	C	*	.	S	Bend	trans	-86.8	-38.2	-176.2	44.1	0	0	0	0	114	P490	P490-T492 PolarHBondContact O-N 3.07Å
493	F	72.1	Confident	86.4	Confident	128 Å²	128	42.1 Å²	42.1	56%	0.561	23%	0.231	S	C	*	.	S	Bend	trans	-142.5	8.7	-175.8	-56.3	-74.8	0	0	0	114.7	P461 R462	P461-F493 HydrophobicContact CG-CB 4.29Å; P461-F493 HydrophobicContact CG-CD1 4.45Å; R462-F493 WeakPolarHBondContact CB-O 3.4Å
494	L	87.1	Confident	86.3	Confident	25 Å²	25	37.1 Å²	37.1	13%	0.131	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	117.3	-175.8	-172.9	63.1	0	0	0	110	R462 I464 T489 F496 F521 F541 L545	R462-L494 HydrophobicContact CB-CD1 3.72Å; I464-L494 HydrophobicContact CD1-CD1 4.09Å; I464-L494 HydrophobicContact CD1-CD2 3.85Å; I464-L494 HydrophobicContact CD1-CG 4.31Å; I464-L494 HydrophobicContact CG1-CD1 3.98Å; T489-L494 HydrophobicContact CG2-CD2 4.24Å; L494-F496 HydrophobicContact CD2-CE2 3.7Å; L494-F496 HydrophobicContact CD2-CZ 3.83Å; L494-F496 HydrophobicContact CG-CD2 4.43Å; L494-F496 HydrophobicContact CG-CE2 3.94Å; L494-F496 HydrophobicContact CG-CZ 4.44Å; L494-F521 HydrophobicContact CD1-CE2 3.98Å; L494-F541 HydrophobicContact CD2-CE2 4.03Å; L494-L545 HydrophobicContact CD2-CD1 4.04Å
495	L	90.5	Very high	86.1	Confident	9 Å²	9	33.8 Å²	33.8	5%	0.047	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.9	174	178.9	64.9	0	0	0	110.3	I439 H446 A456 F460 R462 I463 I464	I439-L495 HydrophobicContact CD1-CD1 3.39Å; I439-L495 HydrophobicContact CD1-CD2 3.88Å; I439-L495 HydrophobicContact CD1-CG 4.28Å; H446-L495 VanDerWaalsContact CD2-CD1 3.47Å; H446-L495 WeakPolarHBondContact CD2-CD1 3.39Å; A456-L495 HydrophobicContact CB-CD2 4.03Å; F460-L495 HydrophobicContact CB-CB 4.43Å; F460-L495 HydrophobicContact CD1-CB 4.12Å; F460-L495 HydrophobicContact CD2-CB 4.48Å; F460-L495 HydrophobicContact CD2-CD2 3.72Å; F460-L495 HydrophobicContact CE2-CD2 3.93Å; F460-L495 HydrophobicContact CG-CB 4.08Å; F460-L495 HydrophobicContact CG-CD2 4.15Å; R462-L495 PolarHBondContact O-N 2.82Å; I463-L495 CarbonylContact C-O 3.6Å; I463-L495 WeakPolarHBondContact CA-O 3.46Å; I463-L495 HydrophobicContact CB-CB 4.49Å; I463-L495 HydrophobicContact CD1-CD2 4.17Å; I463-L495 HydrophobicContact CG1-CB 4.17Å; I463-L495 HydrophobicContact CG1-CD2 4.4Å; I463-L495 HydrophobicContact CG2-CB 4.18Å; I463-L495 HydrophobicContact CG2-CD2 4.25Å; I463-L495 HydrophobicContact CG2-CG 4.26Å; I464-L495 PolarHBondContact N-O 3.2Å
496	F	93.7	Very high	85.7	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.4	168.4	-69.4	-103.8	0	0	0	109.6	L445 H446 I464 F482 L485 A486 T489 L494 F541	L445-F496 HydrophobicContact CD1-CB 3.95Å; H446-F496 PolarHBondContact N-O 3.14Å; I464-F496 HydrophobicContact CB-CD1 4.33Å; I464-F496 HydrophobicContact CB-CE1 4.5Å; I464-F496 HydrophobicContact CD1-CD1 4.5Å; I464-F496 HydrophobicContact CD1-CE1 3.86Å; I464-F496 HydrophobicContact CD1-CZ 4.06Å; F482-F496 HydrophobicContact CE1-CB 4.37Å; F482-F496 HydrophobicContact CE1-CD1 4.18Å; F482-F496 AromaticContact CE2-CD1 3.79Å; F482-F496 HydrophobicContact CE2-CD1 3.79Å; F482-F496 HydrophobicContact CE2-CE1 4.21Å; F482-F496 HydrophobicContact CZ-CB 4.41Å; F482-F496 AromaticContact CZ-CD1 3.6Å; F482-F496 HydrophobicContact CZ-CD1 3.6Å; F482-F496 HydrophobicContact CZ-CE1 4.43Å; F482-F496 HydrophobicContact CZ-CG 4.48Å; L485-F496 HydrophobicContact CD2-CE1 4.2Å; L485-F496 HydrophobicContact CG-CE1 4.26Å; A486-F496 HydrophobicContact CB-CB 3.66Å; A486-F496 HydrophobicContact CB-CD1 3.8Å; A486-F496 HydrophobicContact CB-CD2 3.85Å; A486-F496 HydrophobicContact CB-CE1 4.38Å; A486-F496 HydrophobicContact CB-CE2 4.42Å; A486-F496 HydrophobicContact CB-CG 3.5Å; T489-F496 HydrophobicContact CG2-CE2 3.97Å; T489-F496 HydrophobicContact CG2-CZ 4.22Å; L494-F496 HydrophobicContact CD2-CE2 3.7Å; L494-F496 HydrophobicContact CD2-CZ 3.83Å; L494-F496 HydrophobicContact CG-CD2 4.43Å; L494-F496 HydrophobicContact CG-CE2 3.94Å; L494-F496 HydrophobicContact CG-CZ 4.44Å; F496-F541 HydrophobicContact CE1-CE2 4.04Å; F496-F541 HydrophobicContact CE1-CZ 4.45Å; F496-F541 AromaticContact CZ-CE2 3.59Å; F496-F541 HydrophobicContact CZ-CE2 3.59Å; F496-F541 AromaticContact CZ-CZ 3.78Å; F496-F541 HydrophobicContact CZ-CZ 3.78Å
497	A	94.7	Very high	85.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	161.5	178.3	0	0	0	0	0	111.2	H446 L448 I463 I464 V465 Y466 F482	H446-A497 CarbonylContact O-C 3.59Å; H446-A497 WeakPolarHBondContact O-CA 3.39Å; L448-A497 HydrophobicContact CD1-CB 3.51Å; L448-A497 HydrophobicContact CG-CB 3.92Å; I463-A497 HydrophobicContact CG2-CB 4.37Å; I464-A497 PolarHBondContact O-N 2.61Å; V465-A497 CarbonylContact C-O 3.49Å; V465-A497 VanDerWaalsContact CA-O 3.27Å; V465-A497 WeakPolarHBondContact CA-O 3.31Å; V465-A497 HydrophobicContact CG2-CB 4.45Å; Y466-A497 PolarHBondContact N-O 3.49Å; F482-A497 WeakPolarHBondContact CE1-O 3.23Å
498	Y	94.6	Very high	85.3	Confident	42 Å²	42	36.7 Å²	36.7	17%	0.165	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.2	170.6	68.1	-77.1	0	0	0	110.5	L445 H446 L447 L448 Y466 F468 I479	L445-Y498 HydrophobicContact CD1-CD1 3.69Å; L445-Y498 HydrophobicContact CD1-CE1 4.43Å; L445-Y498 HydrophobicContact CD2-CD1 3.92Å; L445-Y498 HydrophobicContact CD2-CE1 4.08Å; L445-Y498 HydrophobicContact CG-CD1 3.56Å; L445-Y498 HydrophobicContact CG-CE1 3.8Å; H446-Y498 VanDerWaalsContact C-CE1 3.49Å; H446-Y498 WeakPolarHBondContact O-CD1 3.4Å; H446-Y498 PolarHBondContact O-N 2.83Å; L447-Y498 WeakPolarHBondContact CA-O 3.33Å; L447-Y498 HydrophobicContact CB-CE1 3.84Å; L447-Y498 HydrophobicContact CB-CE2 4Å; L447-Y498 HydrophobicContact CD1-CD2 3.83Å; L447-Y498 HydrophobicContact CD1-CE2 3.56Å; L447-Y498 HydrophobicContact CG-CE2 4.27Å; L447-Y498 VanDerWaalsContact N-CE1 3.3Å; L448-Y498 PolarHBondContact N-O 3.21Å; Y466-Y498 CarbonylContact O-C 3.6Å; Y466-Y498 WeakPolarHBondContact O-CA 3.38Å; Y466-Y498 VanDerWaalsContact O-CB 3.27Å; Y466-Y498 WeakPolarHBondContact O-CB 3.42Å; F468-Y498 HydrophobicContact CD1-CD2 4.31Å; F468-Y498 AromaticContact CE1-CD2 3.65Å; F468-Y498 HydrophobicContact CE1-CD2 3.65Å; F468-Y498 HydrophobicContact CE1-CE2 4.21Å; F468-Y498 HydrophobicContact CZ-CD2 4.38Å; I479-Y498 HydrophobicContact CD1-CD2 3.53Å; I479-Y498 HydrophobicContact CD1-CE2 3.72Å; I479-Y498 HydrophobicContact CD1-CG 4.03Å
499	V	93.6	Very high	84.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.6	-179.6	178.6	0	0	0	0	108.3	L453 V465 Y466 F467 F468 C501 Y504 F507	L453-V499 HydrophobicContact CD2-CG2 4.15Å; V465-V499 HydrophobicContact CG1-CG2 3.9Å; Y466-V499 PolarHBondContact O-N 3.26Å; F467-V499 HydrophobicContact CD1-CB 3.81Å; F467-V499 HydrophobicContact CD1-CG1 4.29Å; F467-V499 HydrophobicContact CD1-CG2 4.18Å; F467-V499 HydrophobicContact CE1-CB 4.09Å; F467-V499 HydrophobicContact CE1-CG2 3.96Å; F468-V499 WeakPolarHBondContact CD1-O 3.19Å; F468-V499 PolarHBondContact N-O 3.38Å; V499-C501 PolarHBondContact O-N 3.27Å; V499-Y504 HydrophobicContact CG1-CD2 3.96Å; V499-F507 HydrophobicContact CG1-CD1 4.32Å; V499-F507 HydrophobicContact CG1-CE1 4.5Å
500	D	91.9	Very high	83.7	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	106.5	173.7	-169.8	-35.1	0	0	0	110.5	L447 F468 R470 V502 I503 Y504	L447-D500 HydrophobicContact CD1-CB 4.43Å; F468-D500 HydrophobicContact CE1-CB 4.09Å; F468-D500 HydrophobicContact CZ-CB 4.42Å; R470-D500 IonicContact CZ-OD2 3.3Å; R470-D500 IonicContact NE-OD2 2.85Å; R470-D500 PolarHBondContact NE-OD2 3.25Å; R470-D500 IonicContact NH2-OD2 3.68Å; R470-D500 PolarHBondContact NH2-OD2 3.4Å; D500-V502 VanDerWaalsContact C-N 3.26Å; D500-V502 PolarHBondContact O-N 3.07Å; D500-V502 WeakPolarHBondContact OD1-CA 3.43Å; D500-V502 WeakPolarHBondContact OD1-CB 3.24Å; D500-V502 PolarHBondContact OD1-N 2.79Å; D500-I503 HydrophobicContact CB-CB 4.29Å; D500-I503 HydrophobicContact CB-CD1 4.09Å; D500-I503 HydrophobicContact CB-CG1 4.17Å; D500-I503 PolarHBondContact O-N 2.89Å; D500-I503 PolarHBondContact OD1-N 2.8Å; D500-Y504 WeakPolarHBondContact O-CD2 3.18Å; D500-Y504 PolarHBondContact O-N 2.75Å
501	C	91.3	Very high	83.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.5	-176.8	-65.9	0	0	0	0	114.4	F468 L469 V499 Y505 C508 V512	F468-C501 WeakPolarHBondContact O-CB 3.42Å; F468-C501 PolarHBondContact O-N 3.26Å; L469-C501 HydrophobicContact CD2-CB 3.89Å; V499-C501 PolarHBondContact O-N 3.27Å; C501-Y505 VanDerWaalsContact O-CA 3.23Å; C501-Y505 WeakPolarHBondContact O-CA 3.44Å; C501-Y505 PolarHBondContact O-N 3.46Å; C501-C508 WeakPolarHBondContact CA-SG 3.41Å; C501-C508 HydrophobicContact CB-CB 3.32Å; C501-C508 WeakPolarHBondContact CB-SG 3.47Å; C501-C508 WeakPolarHBondContact SG-CB 3.28Å; C501-C508 CovalentContact SG-SG 2.03Å; C501-C508 PolarHBondContact SG-SG 2.93Å; C501-V512 HydrophobicContact CB-CG1 4.29Å
502	V	90	Very high	83.5	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.024	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-36.3	165.9	-173.1	0	0	0	0	109.5	A301 H302 I305 L469 R470 T471 D500	A301-V502 HydrophobicContact CB-CG1 3.71Å; H302-V502 WeakPolarHBondContact CA-O 3.42Å; H302-V502 WeakPolarHBondContact CB-O 3.23Å; H302-V502 PolarHBondContact ND1-O 3.09Å; I305-V502 HydrophobicContact CD1-CG1 3.87Å; L469-V502 HydrophobicContact CB-CG2 4.43Å; L469-V502 HydrophobicContact CD2-CG2 4.12Å; R470-V502 HydrophobicContact CB-CG2 4.17Å; T471-V502 HydrophobicContact CG2-CG2 4.31Å; D500-V502 VanDerWaalsContact C-N 3.26Å; D500-V502 PolarHBondContact O-N 3.07Å; D500-V502 WeakPolarHBondContact OD1-CA 3.43Å; D500-V502 WeakPolarHBondContact OD1-CB 3.24Å; D500-V502 PolarHBondContact OD1-N 2.79Å
503	I	90.6	Very high	83.3	Confident	8 Å²	8	30 Å²	30	4%	0.041	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-46.4	174.4	-60.4	177.3	0	0	0	110.2	H302 I350 D500	H302-I503 PolarHBondContact CE1-O 3.03Å; H302-I503 PolarHBondContact ND1-O 2.94Å; I350-I503 HydrophobicContact CD1-CG2 3.93Å; I350-I503 HydrophobicContact CG1-CG2 4.34Å; I350-I503 HydrophobicContact CG2-CG2 4.36Å; D500-I503 HydrophobicContact CB-CB 4.29Å; D500-I503 HydrophobicContact CB-CD1 4.09Å; D500-I503 HydrophobicContact CB-CG1 4.17Å; D500-I503 PolarHBondContact O-N 2.89Å; D500-I503 PolarHBondContact OD1-N 2.8Å
504	Y	89.3	Confident	83.1	Confident	12 Å²	12	25.5 Å²	25.5	5%	0.047	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	51.3	-176.2	-55.7	-71	0	0	0	111.9	I350 T449 P450 V499 D500 N506 F507 C508	I350-Y504 HydrophobicContact CD1-CD1 4.35Å; I350-Y504 HydrophobicContact CD1-CE1 4.07Å; I350-Y504 HydrophobicContact CG2-CE1 4.12Å; T449-Y504 HydrophobicContact CG2-CE1 4.44Å; T449-Y504 HydrophobicContact CG2-CE2 4.47Å; T449-Y504 WeakPolarHBondContact CG2-OH 3.45Å; P450-Y504 VanDerWaalsContact CD-CE1 3.4Å; P450-Y504 VanDerWaalsContact CD-CG 3.45Å; P450-Y504 HydrophobicContact CG-CD1 3.56Å; P450-Y504 HydrophobicContact CG-CD2 4.48Å; P450-Y504 HydrophobicContact CG-CE1 4.24Å; P450-Y504 HydrophobicContact CG-CG 3.71Å; V499-Y504 HydrophobicContact CG1-CD2 3.96Å; D500-Y504 WeakPolarHBondContact O-CD2 3.18Å; D500-Y504 PolarHBondContact O-N 2.75Å; Y504-N506 PolarHBondContact O-N 3.31Å; Y504-F507 PolarHBondContact O-N 3.34Å; Y504-F507 VanDerWaalsContact O-N 3.16Å; Y504-C508 PolarHBondContact O-N 3.27Å; Y504-C508 VanDerWaalsContact O-N 3.09Å
505	Y	87.1	Confident	82.5	Confident	1 Å²	1	27.1 Å²	27.1	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-53.2	-50.8	-173.8	-176.2	-86.7	0	0	0	113.2	S291 F292 A298 Y299 H302 C501 F507 C508 A509 I513	S291-Y505 PolarHBondContact O-OH 3.15Å; S291-Y505 VanDerWaalsContact O-OH 3.1Å; F292-Y505 WeakPolarHBondContact CA-OH 3.28Å; F292-Y505 PolarHBondContact N-OH 2.93Å; A298-Y505 HydrophobicContact CB-CD2 4.35Å; A298-Y505 HydrophobicContact CB-CE2 4.08Å; Y299-Y505 HydrophobicContact CD2-CD1 4.26Å; Y299-Y505 AromaticContact CD2-CE1 3.7Å; Y299-Y505 HydrophobicContact CD2-CE1 3.7Å; Y299-Y505 AromaticContact CD2-CZ 3.86Å; H302-Y505 HydrophobicContact CB-CD2 4.24Å; H302-Y505 HydrophobicContact CB-CG 4.16Å; C501-Y505 VanDerWaalsContact O-CA 3.23Å; C501-Y505 WeakPolarHBondContact O-CA 3.44Å; C501-Y505 PolarHBondContact O-N 3.46Å; Y505-F507 VanDerWaalsContact C-N 3.28Å; Y505-F507 PolarHBondContact O-N 3.38Å; Y505-C508 PolarHBondContact O-N 3.46Å; Y505-A509 VanDerWaalsContact O-CA 3.31Å; Y505-A509 WeakPolarHBondContact O-CA 3.38Å; Y505-A509 WeakPolarHBondContact O-CB 3.36Å; Y505-A509 PolarHBondContact O-N 3.36Å; Y505-I513 HydrophobicContact CD1-CD1 4.39Å; Y505-I513 HydrophobicContact CD2-CD1 3.5Å; Y505-I513 HydrophobicContact CE1-CD1 4.13Å; Y505-I513 HydrophobicContact CE2-CD1 3.21Å; Y505-I513 HydrophobicContact CG-CD1 4.08Å
506	N	82.4	Confident	81.9	Confident	97 Å²	97	29.8 Å²	29.8	52%	0.519	15%	0.145	S	C	.	.	H	α-helix	trans	-63.8	-33	-178.2	-66	-19.2	0	0	0	112.8	Y504	Y504-N506 PolarHBondContact O-N 3.31Å
507	F	84.9	Confident	81.5	Confident	86 Å²	86	29.7 Å²	29.7	38%	0.377	15%	0.145	S	C	.	.	H	α-helix	trans	-72	-39.8	177	177.8	-113.2	0	0	0	112.1	P450 L453 F467 V499 Y504 Y505 A509	P450-F507 HydrophobicContact CB-CB 4.26Å; P450-F507 HydrophobicContact CB-CD1 3.85Å; P450-F507 HydrophobicContact CB-CD2 3.73Å; P450-F507 HydrophobicContact CB-CE1 4Å; P450-F507 HydrophobicContact CB-CE2 3.93Å; P450-F507 HydrophobicContact CB-CG 3.68Å; P450-F507 HydrophobicContact CB-CZ 4.06Å; P450-F507 HydrophobicContact CG-CB 3.75Å; P450-F507 HydrophobicContact CG-CD1 3.63Å; P450-F507 HydrophobicContact CG-CD2 4.16Å; P450-F507 HydrophobicContact CG-CE1 4.18Å; P450-F507 HydrophobicContact CG-CG 3.59Å; L453-F507 HydrophobicContact CD2-CE1 4.08Å; L453-F507 HydrophobicContact CD2-CZ 4.04Å; F467-F507 HydrophobicContact CE1-CD1 4.5Å; F467-F507 AromaticContact CE1-CE1 3.82Å; F467-F507 HydrophobicContact CE1-CE1 3.82Å; V499-F507 HydrophobicContact CG1-CD1 4.32Å; V499-F507 HydrophobicContact CG1-CE1 4.5Å; Y504-F507 PolarHBondContact O-N 3.34Å; Y504-F507 VanDerWaalsContact O-N 3.16Å; Y505-F507 VanDerWaalsContact C-N 3.28Å; Y505-F507 PolarHBondContact O-N 3.38Å; F507-A509 VanDerWaalsContact C-N 3.34Å
508	C	85.9	Confident	81.3	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.034	15%	0.146	C	C	.	.	H	α-helix	trans	-84.3	-7.4	-178.9	-67.1	0	0	0	0	114.7	C501 Y504 Y505 R510 V512	C501-C508 WeakPolarHBondContact CA-SG 3.41Å; C501-C508 HydrophobicContact CB-CB 3.32Å; C501-C508 WeakPolarHBondContact CB-SG 3.47Å; C501-C508 WeakPolarHBondContact SG-CB 3.28Å; C501-C508 CovalentContact SG-SG 2.03Å; C501-C508 PolarHBondContact SG-SG 2.93Å; Y504-C508 PolarHBondContact O-N 3.27Å; Y504-C508 VanDerWaalsContact O-N 3.09Å; Y505-C508 PolarHBondContact O-N 3.46Å; C508-R510 PolarHBondContact O-N 2.99Å; C508-R510 VanDerWaalsContact O-N 3.13Å; C508-V512 HydrophobicContact CB-CB 4.06Å; C508-V512 HydrophobicContact CB-CG2 4Å; C508-V512 PolarHBondContact O-N 3.15Å
509	A	68.6	Low	81.2	Confident	10 Å²	10	28 Å²	28	8%	0.083	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-52.6	-153.3	0	0	0	0	0	114.4	S291 Y505 F507 I513	S291-A509 VanDerWaalsContact CB-O 3.32Å; S291-A509 WeakPolarHBondContact CB-O 3.44Å; S291-A509 WeakPolarHBondContact OG-CA 3.31Å; S291-A509 WeakPolarHBondContact OG-CB 3.49Å; S291-A509 PolarHBondContact OG-O 3.48Å; Y505-A509 VanDerWaalsContact O-CA 3.31Å; Y505-A509 WeakPolarHBondContact O-CA 3.38Å; Y505-A509 WeakPolarHBondContact O-CB 3.36Å; Y505-A509 PolarHBondContact O-N 3.36Å; F507-A509 VanDerWaalsContact C-N 3.34Å; A509-I513 VanDerWaalsContact O-CB 3.27Å; A509-I513 WeakPolarHBondContact O-CB 3.44Å; A509-I513 VanDerWaalsContact O-CG1 3.28Å; A509-I513 WeakPolarHBondContact O-CG1 3.46Å
510	R	66.8	Low	81.2	Confident	120 Å²	120	29.4 Å²	29.4	45%	0.453	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-59.5	-170.3	-166.3	-177.6	175.2	-167.2	-2.4	113.7	N287 C508 V514	N287-R510 WeakPolarHBondContact OD1-CD 3.39Å; C508-R510 PolarHBondContact O-N 2.99Å; C508-R510 VanDerWaalsContact O-N 3.13Å; R510-V514 VanDerWaalsContact O-CG2 3.3Å; R510-V514 WeakPolarHBondContact O-CG2 3.34Å
511	D	68.9	Low	81.3	Confident	72 Å²	72	29.7 Å²	29.7	39%	0.385	15%	0.146	S	C	.	.	H	α-helix	trans	-76	-32.6	-167.2	-61.7	-19.7	0	0	0	113	N515 L518 K520	D511-N515 PolarHBondContact O-ND2 2.85Å; D511-L518 HydrophobicContact CB-CD2 3.66Å; D511-K520 IonicContact OD2-NZ 2.75Å; D511-K520 PolarHBondContact OD2-NZ 3.09Å
512	V	63.3	Low	81.3	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.024	15%	0.151	C	C	.	.	H	α-helix	trans	-90.3	-42.2	-171.3	-170.8	0	0	0	0	111.1	F467 C501 C508 V514 N515 N516 L518	F467-V512 HydrophobicContact CB-CB 4.17Å; F467-V512 HydrophobicContact CB-CG1 3.65Å; F467-V512 HydrophobicContact CB-CG2 3.4Å; F467-V512 HydrophobicContact CD1-CG2 4.13Å; F467-V512 HydrophobicContact CG-CG2 3.82Å; C501-V512 HydrophobicContact CB-CG1 4.29Å; C508-V512 HydrophobicContact CB-CB 4.06Å; C508-V512 HydrophobicContact CB-CG2 4Å; C508-V512 PolarHBondContact O-N 3.15Å; V512-V514 VanDerWaalsContact C-N 3.29Å; V512-V514 PolarHBondContact O-N 3.04Å; V512-N515 CarbonylContact O-C 3.56Å; V512-N515 PolarHBondContact O-N 3.38Å; V512-N515 VanDerWaalsContact O-N 3.13Å; V512-N516 CarbonylContact O-C 3.48Å; V512-N516 WeakPolarHBondContact O-CA 3.38Å; V512-N516 PolarHBondContact O-N 3.2Å; V512-L518 HydrophobicContact CB-CB 4.5Å; V512-L518 HydrophobicContact CG1-CB 4.39Å; V512-L518 HydrophobicContact CG2-CB 4.03Å; V512-L518 HydrophobicContact CG2-CD2 4.14Å
513	I	62.3	Low	81.3	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-69.2	-33.3	-171.9	-52.8	-165.7	0	0	0	111.1	S291 A294 L469 Y505 A509 N515	S291-I513 WeakPolarHBondContact O-CG2 3.34Å; A294-I513 HydrophobicContact CB-CG2 4.07Å; L469-I513 HydrophobicContact CD2-CG1 4.49Å; Y505-I513 HydrophobicContact CD1-CD1 4.39Å; Y505-I513 HydrophobicContact CD2-CD1 3.5Å; Y505-I513 HydrophobicContact CE1-CD1 4.13Å; Y505-I513 HydrophobicContact CE2-CD1 3.21Å; Y505-I513 HydrophobicContact CG-CD1 4.08Å; A509-I513 VanDerWaalsContact O-CB 3.27Å; A509-I513 WeakPolarHBondContact O-CB 3.44Å; A509-I513 VanDerWaalsContact O-CG1 3.28Å; A509-I513 WeakPolarHBondContact O-CG1 3.46Å; I513-N515 VanDerWaalsContact C-N 3.34Å
514	V	67.4	Low	81.1	Confident	33 Å²	33	38.9 Å²	38.9	20%	0.2	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-35.6	174.2	-180	0	0	0	0	112	H238 I240 V290 A294 R510 V512	H238-V514 HydrophobicContact CB-CG1 4.02Å; I240-V514 HydrophobicContact CD1-CG2 4.03Å; V290-V514 HydrophobicContact CG1-CG2 4.5Å; A294-V514 HydrophobicContact CB-CG2 4.17Å; R510-V514 VanDerWaalsContact O-CG2 3.3Å; R510-V514 WeakPolarHBondContact O-CG2 3.34Å; V512-V514 VanDerWaalsContact C-N 3.29Å; V512-V514 PolarHBondContact O-N 3.04Å
515	N	75.6	Confident	80.8	Confident	58 Å²	58	40.6 Å²	40.6	31%	0.31	21%	0.206	S	C	.	.	H	α-helix	trans	-97.4	-3	-177	-66	-62	0	0	0	113.7	D511 V512 I513 S517	D511-N515 PolarHBondContact O-ND2 2.85Å; V512-N515 CarbonylContact O-C 3.56Å; V512-N515 PolarHBondContact O-N 3.38Å; V512-N515 VanDerWaalsContact O-N 3.13Å; I513-N515 VanDerWaalsContact C-N 3.34Å; N515-S517 WeakPolarHBondContact CB-O 3.43Å; N515-S517 PolarHBondContact O-N 2.9Å
516	N	77.2	Confident	80.9	Confident	66 Å²	66	47.6 Å²	47.6	35%	0.353	24%	0.239	S	C	.	.	S	Bend	trans	61.4	-28.1	-166.9	-57.6	-70.9	0	0	0	116	L469 C472 V512	L469-N516 HydrophobicContact CD1-CB 4.41Å; L469-N516 PolarHBondContact N-O 3.25Å; C472-N516 HydrophobicContact CB-CB 4.47Å; V512-N516 CarbonylContact O-C 3.48Å; V512-N516 WeakPolarHBondContact O-CA 3.38Å; V512-N516 PolarHBondContact O-N 3.2Å
517	S	85	Confident	81.1	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149	-179.3	58.7	0	0	0	0	109.8	F467 R474 N515	F467-S517 CarbonylContact O-C 3.54Å; F467-S517 VanDerWaalsContact O-CA 3.3Å; F467-S517 WeakPolarHBondContact O-CA 3.44Å; R474-S517 PolarHBondContact NH2-OG 3.34Å; R474-S517 VanDerWaalsContact NH2-OG 3.13Å; N515-S517 WeakPolarHBondContact CB-O 3.43Å; N515-S517 PolarHBondContact O-N 2.9Å
518	L	90.8	Very high	81.4	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	138.2	174.6	-160.7	75.9	0	0	0	109.5	F467 D511 V512 K520 T530 F531 T532	F467-L518 HydrophobicContact CB-CB 4.19Å; F467-L518 HydrophobicContact CD2-CB 4.46Å; F467-L518 PolarHBondContact N-O 3.16Å; F467-L518 PolarHBondContact O-N 2.89Å; D511-L518 HydrophobicContact CB-CD2 3.66Å; V512-L518 HydrophobicContact CB-CB 4.5Å; V512-L518 HydrophobicContact CG1-CB 4.39Å; V512-L518 HydrophobicContact CG2-CB 4.03Å; V512-L518 HydrophobicContact CG2-CD2 4.14Å; L518-K520 HydrophobicContact CD2-CD 4.08Å; L518-K520 HydrophobicContact CD2-CG 3.87Å; L518-K520 HydrophobicContact CG-CG 4.32Å; L518-T530 HydrophobicContact CD1-CG2 3.44Å; L518-T530 VanDerWaalsContact CD1-CG2 3.44Å; L518-T530 HydrophobicContact CD2-CG2 3.85Å; L518-T530 HydrophobicContact CG-CG2 3.72Å; L518-F531 WeakPolarHBondContact CD1-O 3.39Å; L518-T532 HydrophobicContact CD1-CG2 3.88Å
519	I	93.2	Very high	81.7	Confident	4 Å²	4	52 Å²	52	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.8	168.6	-58.4	164.9	0	0	0	107.4	I464 V465 Y466 T530 F531 W534 F537	I464-I519 HydrophobicContact CG2-CG2 3.48Å; I464-I519 VanDerWaalsContact CG2-CG2 3.48Å; V465-I519 WeakPolarHBondContact O-CA 3.49Å; Y466-I519 HydrophobicContact CD2-CD1 4.11Å; Y466-I519 HydrophobicContact CD2-CG1 3.4Å; Y466-I519 VanDerWaalsContact CD2-CG1 3.4Å; Y466-I519 HydrophobicContact CE2-CD1 4.36Å; Y466-I519 HydrophobicContact CE2-CG1 3.98Å; Y466-I519 HydrophobicContact CG-CG1 4.37Å; I519-T530 CarbonylContact O-C 3.19Å; I519-T530 WeakPolarHBondContact O-CA 3.45Å; I519-F531 HydrophobicContact CB-CB 4.23Å; I519-F531 HydrophobicContact CB-CD2 4.21Å; I519-F531 HydrophobicContact CG2-CD2 4.21Å; I519-F531 PolarHBondContact N-O 3.07Å; I519-F531 WeakPolarHBondContact O-CD2 3.45Å; I519-F531 PolarHBondContact O-N 3.16Å; I519-W534 HydrophobicContact CD1-CE3 3.87Å; I519-W534 HydrophobicContact CD1-CZ3 4.06Å; I519-F537 HydrophobicContact CB-CD2 4.25Å; I519-F537 HydrophobicContact CB-CG 4.36Å; I519-F537 HydrophobicContact CD1-CB 3.73Å; I519-F537 HydrophobicContact CD1-CD1 3.38Å; I519-F537 HydrophobicContact CD1-CD2 4.1Å; I519-F537 HydrophobicContact CD1-CE1 3.98Å; I519-F537 HydrophobicContact CD1-CG 3.44Å; I519-F537 VanDerWaalsContact CD1-CG 3.44Å; I519-F537 HydrophobicContact CG1-CG 4.46Å; I519-F537 HydrophobicContact CG2-CD2 3.58Å; I519-F537 HydrophobicContact CG2-CE2 3.67Å; I519-F537 HydrophobicContact CG2-CG 4.09Å; I519-F537 HydrophobicContact CG2-CZ 4.25Å
520	K	93.2	Very high	82.8	Confident	30 Å²	30	54.8 Å²	54.8	13%	0.13	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.3	172.6	-66.1	-173	172	-177.4	0	109.7	I464 V465 F467 D511 L518 Y522 V527 K529 T530	I464-K520 WeakPolarHBondContact CA-O 2.97Å; V465-K520 PolarHBondContact N-O 3.42Å; V465-K520 PolarHBondContact O-N 3.32Å; F467-K520 HydrophobicContact CD2-CG 4.38Å; F467-K520 HydrophobicContact CE2-CB 3.99Å; F467-K520 HydrophobicContact CE2-CD 3.93Å; F467-K520 HydrophobicContact CE2-CG 3.94Å; D511-K520 IonicContact OD2-NZ 2.75Å; D511-K520 PolarHBondContact OD2-NZ 3.09Å; L518-K520 HydrophobicContact CD2-CD 4.08Å; L518-K520 HydrophobicContact CD2-CG 3.87Å; L518-K520 HydrophobicContact CG-CG 4.32Å; K520-Y522 HydrophobicContact CB-CD2 4.12Å; K520-Y522 HydrophobicContact CB-CE2 3.45Å; K520-Y522 VanDerWaalsContact CB-CE2 3.45Å; K520-Y522 HydrophobicContact CD-CE2 4.39Å; K520-Y522 WeakPolarHBondContact CD-OH 3.15Å; K520-V527 HydrophobicContact CB-CG1 4.38Å; K520-V527 HydrophobicContact CD-CG1 4.09Å; K520-V527 HydrophobicContact CD-CG2 4.07Å; K520-V527 HydrophobicContact CG-CG1 4.33Å; K520-K529 CarbonylContact C-O 3.56Å; K520-K529 WeakPolarHBondContact CA-O 3.36Å; K520-T530 HydrophobicContact CG-CG2 4.28Å
521	F	93.2	Very high	84	Confident	7 Å²	7	49.8 Å²	49.8	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.3	167.2	175.2	-117.1	0	0	0	108.4	R462 I463 I464 L494 A523 E528 K529 F531 W540 L545	R462-F521 HydrophobicContact CB-CE2 3.91Å; R462-F521 HydrophobicContact CB-CZ 4.21Å; R462-F521 HydrophobicContact CG-CE2 4.21Å; R462-F521 HydrophobicContact CG-CZ 3.99Å; I463-F521 WeakPolarHBondContact O-CA 3.09Å; I464-F521 HydrophobicContact CG1-CD2 3.68Å; I464-F521 HydrophobicContact CG1-CE2 4.4Å; L494-F521 HydrophobicContact CD1-CE2 3.98Å; F521-A523 HydrophobicContact CE1-CB 4.45Å; F521-E528 HydrophobicContact CD1-CB 3.9Å; F521-E528 HydrophobicContact CE1-CB 4.33Å; F521-E528 VanDerWaalsContact CE1-OE2 3.27Å; F521-E528 WeakPolarHBondContact CE1-OE2 3.36Å; F521-E528 PolarHBondContact O-N 3.33Å; F521-K529 HydrophobicContact CB-CB 4.28Å; F521-K529 PolarHBondContact N-O 3.13Å; F521-K529 PolarHBondContact O-N 3.37Å; F521-F531 HydrophobicContact CB-CE2 4.48Å; F521-W540 HydrophobicContact CB-CH2 3.88Å; F521-W540 HydrophobicContact CB-CZ3 4.29Å; F521-W540 AromaticContact CD1-CH2 3.63Å; F521-W540 HydrophobicContact CD1-CH2 3.63Å; F521-W540 AromaticContact CD1-CZ2 3.9Å; F521-W540 HydrophobicContact CD1-CZ2 3.9Å; F521-W540 AromaticContact CD2-CH2 3.87Å; F521-W540 HydrophobicContact CD2-CH2 3.87Å; F521-W540 HydrophobicContact CE1-CH2 4.07Å; F521-W540 HydrophobicContact CE1-CZ2 4.2Å; F521-W540 HydrophobicContact CE2-CH2 4.27Å; F521-W540 AromaticContact CG-CH2 3.51Å; F521-W540 HydrophobicContact CG-CH2 3.51Å; F521-W540 HydrophobicContact CG-CZ2 4.24Å; F521-W540 HydrophobicContact CG-CZ3 4.3Å; F521-W540 HydrophobicContact CZ-CH2 4.37Å; F521-L545 HydrophobicContact CE2-CD1 4.31Å
522	Y	91.4	Very high	85	Confident	26 Å²	26	49.7 Å²	49.7	10%	0.102	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137	176.3	-62.8	-103.1	0	0	0	109.5	R462 I463 V465 F467 K520 E526 V527	R462-Y522 VanDerWaalsContact CA-O 3.27Å; R462-Y522 WeakPolarHBondContact CA-O 3.41Å; I463-Y522 PolarHBondContact N-O 3.21Å; I463-Y522 PolarHBondContact O-N 3.29Å; V465-Y522 HydrophobicContact CB-CE2 3.97Å; V465-Y522 HydrophobicContact CG2-CD2 3.73Å; V465-Y522 HydrophobicContact CG2-CE2 3.49Å; V465-Y522 VanDerWaalsContact CG2-CE2 3.49Å; F467-Y522 HydrophobicContact CE2-CE2 4.38Å; F467-Y522 WeakPolarHBondContact CZ-OH 3.44Å; K520-Y522 HydrophobicContact CB-CD2 4.12Å; K520-Y522 HydrophobicContact CB-CE2 3.45Å; K520-Y522 VanDerWaalsContact CB-CE2 3.45Å; K520-Y522 HydrophobicContact CD-CE2 4.39Å; K520-Y522 WeakPolarHBondContact CD-OH 3.15Å; Y522-E526 CarbonylContact C-O 3.47Å; Y522-E526 WeakPolarHBondContact CA-O 3.27Å; Y522-V527 HydrophobicContact CD1-CG2 3.81Å; Y522-V527 HydrophobicContact CE1-CG2 3.34Å
523	A	89.9	Confident	86.1	Confident	10 Å²	10	52.3 Å²	52.3	8%	0.083	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.8	164.1	0	0	0	0	0	108.8	P461 F521 A525 E526 E528	P461-A523 CarbonylContact O-C 3.53Å; P461-A523 VanDerWaalsContact O-CA 3.27Å; P461-A523 WeakPolarHBondContact O-CA 3.03Å; F521-A523 HydrophobicContact CE1-CB 4.45Å; A523-A525 VanDerWaalsContact C-N 3.28Å; A523-A525 PolarHBondContact O-N 3.15Å; A523-E526 PolarHBondContact N-O 3.33Å; A523-E526 PolarHBondContact O-N 3.3Å; A523-E528 VanDerWaalsContact CB-CD 3.42Å; A523-E528 HydrophobicContact CB-CG 3.7Å; A523-E528 WeakPolarHBondContact CB-OE1 3.25Å
524	E	86.4	Confident	87.4	Confident	170 Å²	170	52.9 Å²	52.9	79%	0.794	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	46.5	-179.9	-57.2	-172.7	179.8	0	0	113	P461 E526	P461-E524 PolarHBondContact O-N 2.97Å; E524-E526 PolarHBondContact O-N 3.17Å; E524-E526 VanDerWaalsContact O-N 3.09Å
525	A	84.2	Confident	88.6	Confident	47 Å²	47	56.7 Å²	56.7	39%	0.388	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-1.7	-175.8	0	0	0	0	0	116.8	S457 A523	S457-A525 WeakPolarHBondContact O-CB 3.27Å; S457-A525 PolarHBondContact O-N 2.06Å; A523-A525 VanDerWaalsContact C-N 3.28Å; A523-A525 PolarHBondContact O-N 3.15Å
526	E	87.6	Confident	89.4	Confident	148 Å²	148	57.2 Å²	57.2	69%	0.692	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	148	175.9	-64.3	-164.8	169.1	0	0	112.2	Y522 A523 E524 E528	Y522-E526 CarbonylContact C-O 3.47Å; Y522-E526 WeakPolarHBondContact CA-O 3.27Å; A523-E526 PolarHBondContact N-O 3.33Å; A523-E526 PolarHBondContact O-N 3.3Å; E524-E526 PolarHBondContact O-N 3.17Å; E524-E526 VanDerWaalsContact O-N 3.09Å; E526-E528 PolarHBondContact O-N 2.97Å
527	V	87.4	Confident	90.2	Very high	66 Å²	66	54.1 Å²	54.1	40%	0.4	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	105.6	174.9	-179.7	0	0	0	0	109.2	K520 Y522 T530	K520-V527 HydrophobicContact CB-CG1 4.38Å; K520-V527 HydrophobicContact CD-CG1 4.09Å; K520-V527 HydrophobicContact CD-CG2 4.07Å; K520-V527 HydrophobicContact CG-CG1 4.33Å; Y522-V527 HydrophobicContact CD1-CG2 3.81Å; Y522-V527 HydrophobicContact CE1-CG2 3.34Å; V527-T530 WeakPolarHBondContact CG1-OG1 3.37Å
528	E	90.7	Very high	90.6	Very high	123 Å²	123	58 Å²	58	58%	0.575	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	-41.2	175.7	-77.4	-160.8	174.4	0	0	112.6	F521 A523 E526	F521-E528 HydrophobicContact CD1-CB 3.9Å; F521-E528 HydrophobicContact CE1-CB 4.33Å; F521-E528 VanDerWaalsContact CE1-OE2 3.27Å; F521-E528 WeakPolarHBondContact CE1-OE2 3.36Å; F521-E528 PolarHBondContact O-N 3.33Å; A523-E528 VanDerWaalsContact CB-CD 3.42Å; A523-E528 HydrophobicContact CB-CG 3.7Å; A523-E528 WeakPolarHBondContact CB-OE1 3.25Å; E526-E528 PolarHBondContact O-N 2.97Å
529	K	92.8	Very high	90.7	Very high	91 Å²	91	62.2 Å²	62.2	40%	0.396	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.3	-177.8	-72.4	-179.2	178.4	-83.7	0	111.6	K520 F521 F531 W540	K520-K529 CarbonylContact C-O 3.56Å; K520-K529 WeakPolarHBondContact CA-O 3.36Å; F521-K529 HydrophobicContact CB-CB 4.28Å; F521-K529 PolarHBondContact N-O 3.13Å; F521-K529 PolarHBondContact O-N 3.37Å; K529-F531 HydrophobicContact CB-CE2 3.79Å; K529-F531 HydrophobicContact CB-CZ 3.74Å; K529-F531 HydrophobicContact CD-CZ 3.86Å; K529-F531 HydrophobicContact CG-CZ 4.41Å; K529-W540 HydrophobicContact CD-CD2 4.19Å; K529-W540 VanDerWaalsContact CD-CE2 3.5Å; K529-W540 HydrophobicContact CD-CG 4.41Å; K529-W540 HydrophobicContact CD-CZ2 3.8Å; K529-W540 VanDerWaalsContact CE-NE1 3.32Å
530	T	92.2	Very high	90.7	Very high	70 Å²	70	63.5 Å²	63.5	43%	0.429	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130	174.7	-63.8	0	0	0	0	108.6	L518 I519 K520 V527	L518-T530 HydrophobicContact CD1-CG2 3.44Å; L518-T530 VanDerWaalsContact CD1-CG2 3.44Å; L518-T530 HydrophobicContact CD2-CG2 3.85Å; L518-T530 HydrophobicContact CG-CG2 3.72Å; I519-T530 CarbonylContact O-C 3.19Å; I519-T530 WeakPolarHBondContact O-CA 3.45Å; K520-T530 HydrophobicContact CG-CG2 4.28Å; V527-T530 WeakPolarHBondContact CG1-OG1 3.37Å
531	F	92.4	Very high	90.6	Very high	15 Å²	15	62.1 Å²	62.1	7%	0.066	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.3	178.4	-50.2	-87.2	0	0	0	109.3	L518 I519 F521 K529 T536 F537 W540	L518-F531 WeakPolarHBondContact CD1-O 3.39Å; I519-F531 HydrophobicContact CB-CB 4.23Å; I519-F531 HydrophobicContact CB-CD2 4.21Å; I519-F531 HydrophobicContact CG2-CD2 4.21Å; I519-F531 PolarHBondContact N-O 3.07Å; I519-F531 WeakPolarHBondContact O-CD2 3.45Å; I519-F531 PolarHBondContact O-N 3.16Å; F521-F531 HydrophobicContact CB-CE2 4.48Å; K529-F531 HydrophobicContact CB-CE2 3.79Å; K529-F531 HydrophobicContact CB-CZ 3.74Å; K529-F531 HydrophobicContact CD-CZ 3.86Å; K529-F531 HydrophobicContact CG-CZ 4.41Å; F531-T536 HydrophobicContact CD1-CG2 4.01Å; F531-T536 HydrophobicContact CE1-CG2 4.49Å; F531-F537 HydrophobicContact CB-CB 3.87Å; F531-F537 HydrophobicContact CD1-CB 4.11Å; F531-F537 HydrophobicContact CD2-CB 4.15Å; F531-F537 AromaticContact CD2-CD2 3.8Å; F531-F537 HydrophobicContact CD2-CD2 3.8Å; F531-F537 HydrophobicContact CD2-CG 4.44Å; F531-F537 AromaticContact CE2-CD2 3.96Å; F531-F537 HydrophobicContact CE2-CD2 3.96Å; F531-F537 HydrophobicContact CG-CB 3.78Å; F531-F537 HydrophobicContact CG-CD2 4.3Å; F531-W540 HydrophobicContact CE1-CB 3.72Å; F531-W540 HydrophobicContact CE1-CD2 4.05Å; F531-W540 HydrophobicContact CE1-CE3 4.23Å; F531-W540 AromaticContact CE1-CG 3.81Å; F531-W540 HydrophobicContact CE1-CG 3.81Å; F531-W540 HydrophobicContact CE2-CD2 4.19Å; F531-W540 AromaticContact CE2-CE3 3.74Å; F531-W540 HydrophobicContact CE2-CE3 3.74Å; F531-W540 HydrophobicContact CE2-CZ3 4.01Å; F531-W540 HydrophobicContact CZ-CB 3.97Å; F531-W540 AromaticContact CZ-CD2 3.34Å; F531-W540 HydrophobicContact CZ-CD2 3.34Å; F531-W540 AromaticContact CZ-CE3 3.33Å; F531-W540 HydrophobicContact CZ-CE3 3.33Å; F531-W540 AromaticContact CZ-CG 3.6Å; F531-W540 HydrophobicContact CZ-CG 3.6Å; F531-W540 AromaticContact CZ-CZ3 3.99Å; F531-W540 HydrophobicContact CZ-CZ3 3.99Å
532	T	88.4	Confident	90.3	Very high	70 Å²	70	64.3 Å²	64.3	43%	0.429	34%	0.338	S	S	.	.	S	Bend	trans	-96.1	-9.5	178.7	51.8	0	0	0	0	112.8	L518	L518-T532 HydrophobicContact CD1-CG2 3.88Å
533	D	87.6	Confident	90.1	Very high	59 Å²	59	69.5 Å²	69.5	32%	0.316	37%	0.367	S	S	.	.	S	Bend	trans	-138.6	151	176.8	78.5	91.2	0	0	0	112.1	I535 T536 F537	D533-I535 PolarHBondContact OD1-N 2.79Å; D533-T536 VanDerWaalsContact CG-OG1 3.25Å; D533-T536 PolarHBondContact OD1-N 2.78Å; D533-T536 PolarHBondContact OD1-OG1 3.36Å; D533-T536 VanDerWaalsContact OD1-OG1 3.1Å; D533-T536 VanDerWaalsContact OD2-CB 3.23Å; D533-T536 WeakPolarHBondContact OD2-CB 3.45Å; D533-T536 PolarHBondContact OD2-OG1 3.41Å; D533-F537 PolarHBondContact O-N 3.17Å
534	W	89.8	Confident	89.8	Confident	13 Å²	13	72.1 Å²	72.1	5%	0.049	38%	0.382	C	S	.	.	H	α-helix	trans	-65.3	-38.3	-176.5	177.2	-90.8	0	0	0	113.2	E478 K481 F482 I519 F537 E538	E478-W534 HydrophobicContact CB-CE3 4.25Å; E478-W534 HydrophobicContact CG-CB 4.31Å; E478-W534 HydrophobicContact CG-CD2 4.43Å; E478-W534 HydrophobicContact CG-CE3 4.39Å; E478-W534 HydrophobicContact CG-CG 4.38Å; K481-W534 HydrophobicContact CB-CH2 3.73Å; K481-W534 HydrophobicContact CB-CZ2 3.43Å; K481-W534 VanDerWaalsContact CB-CZ2 3.43Å; K481-W534 HydrophobicContact CB-CZ3 4.48Å; K481-W534 HydrophobicContact CD-CD2 4.48Å; K481-W534 HydrophobicContact CD-CZ2 4.18Å; K481-W534 HydrophobicContact CG-CZ2 4.47Å; F482-W534 HydrophobicContact CB-CH2 3.99Å; F482-W534 HydrophobicContact CB-CZ3 3.86Å; F482-W534 HydrophobicContact CD2-CH2 4.14Å; F482-W534 AromaticContact CD2-CZ3 3.91Å; F482-W534 HydrophobicContact CD2-CZ3 3.91Å; F482-W534 HydrophobicContact CG-CZ3 4.34Å; I519-W534 HydrophobicContact CD1-CE3 3.87Å; I519-W534 HydrophobicContact CD1-CZ3 4.06Å; W534-F537 HydrophobicContact CE3-CD1 4.17Å; W534-F537 HydrophobicContact CH2-CD1 4.24Å; W534-F537 AromaticContact CH2-CE1 3.96Å; W534-F537 HydrophobicContact CH2-CE1 3.96Å; W534-F537 AromaticContact CZ3-CD1 3.99Å; W534-F537 HydrophobicContact CZ3-CD1 3.99Å; W534-F537 AromaticContact CZ3-CE1 3.97Å; W534-F537 HydrophobicContact CZ3-CE1 3.97Å; W534-F537 PolarHBondContact O-N 3.14Å; W534-E538 PolarHBondContact NE1-OE2 2.96Å; W534-E538 WeakPolarHBondContact O-CB 3.26Å; W534-E538 PolarHBondContact O-N 3.05Å
535	I	91.4	Very high	89.3	Confident	112 Å²	112	64.7 Å²	64.7	57%	0.574	35%	0.348	S	S	*	.	H	α-helix	trans	-67.7	-45	-172.8	-62.7	171.7	0	0	0	110	D533 F537 E538 N539	D533-I535 PolarHBondContact OD1-N 2.79Å; I535-F537 VanDerWaalsContact C-N 3.34Å; I535-F537 PolarHBondContact O-N 2.87Å; I535-E538 PolarHBondContact O-N 3.08Å; I535-N539 WeakPolarHBondContact O-CB 3.2Å; I535-N539 VanDerWaalsContact O-CG 3.27Å; I535-N539 PolarHBondContact O-N 3.45Å; I535-N539 PolarHBondContact O-ND2 2.84Å
536	T	92.8	Very high	88.6	Confident	70 Å²	70	67.6 Å²	67.6	43%	0.429	35%	0.351	S	S	.	.	H	α-helix	trans	-62	-43	176.5	-57.5	0	0	0	0	111.2	F531 D533 W540	F531-T536 HydrophobicContact CD1-CG2 4.01Å; F531-T536 HydrophobicContact CE1-CG2 4.49Å; D533-T536 VanDerWaalsContact CG-OG1 3.25Å; D533-T536 PolarHBondContact OD1-N 2.78Å; D533-T536 PolarHBondContact OD1-OG1 3.36Å; D533-T536 VanDerWaalsContact OD1-OG1 3.1Å; D533-T536 VanDerWaalsContact OD2-CB 3.23Å; D533-T536 WeakPolarHBondContact OD2-CB 3.45Å; D533-T536 PolarHBondContact OD2-OG1 3.41Å; T536-W540 WeakPolarHBondContact O-CB 3.23Å; T536-W540 PolarHBondContact O-N 2.71Å
537	F	94.3	Very high	87.3	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-51.2	174.8	164.1	-106.1	0	0	0	112.1	I464 F482 L485 I519 F531 D533 W534 I535 N539 W540 F541	I464-F537 HydrophobicContact CD1-CE2 4.23Å; I464-F537 HydrophobicContact CD1-CZ 4.41Å; I464-F537 HydrophobicContact CG2-CE2 3.78Å; I464-F537 HydrophobicContact CG2-CZ 4.02Å; F482-F537 HydrophobicContact CD2-CE1 4.11Å; F482-F537 HydrophobicContact CD2-CZ 4.3Å; F482-F537 HydrophobicContact CE2-CE1 4.17Å; F482-F537 AromaticContact CE2-CZ 3.9Å; F482-F537 HydrophobicContact CE2-CZ 3.9Å; L485-F537 HydrophobicContact CD2-CE1 3.53Å; L485-F537 HydrophobicContact CD2-CZ 3.64Å; I519-F537 HydrophobicContact CB-CD2 4.25Å; I519-F537 HydrophobicContact CB-CG 4.36Å; I519-F537 HydrophobicContact CD1-CB 3.73Å; I519-F537 HydrophobicContact CD1-CD1 3.38Å; I519-F537 HydrophobicContact CD1-CD2 4.1Å; I519-F537 HydrophobicContact CD1-CE1 3.98Å; I519-F537 HydrophobicContact CD1-CG 3.44Å; I519-F537 VanDerWaalsContact CD1-CG 3.44Å; I519-F537 HydrophobicContact CG1-CG 4.46Å; I519-F537 HydrophobicContact CG2-CD2 3.58Å; I519-F537 HydrophobicContact CG2-CE2 3.67Å; I519-F537 HydrophobicContact CG2-CG 4.09Å; I519-F537 HydrophobicContact CG2-CZ 4.25Å; F531-F537 HydrophobicContact CB-CB 3.87Å; F531-F537 HydrophobicContact CD1-CB 4.11Å; F531-F537 HydrophobicContact CD2-CB 4.15Å; F531-F537 AromaticContact CD2-CD2 3.8Å; F531-F537 HydrophobicContact CD2-CD2 3.8Å; F531-F537 HydrophobicContact CD2-CG 4.44Å; F531-F537 AromaticContact CE2-CD2 3.96Å; F531-F537 HydrophobicContact CE2-CD2 3.96Å; F531-F537 HydrophobicContact CG-CB 3.78Å; F531-F537 HydrophobicContact CG-CD2 4.3Å; D533-F537 PolarHBondContact O-N 3.17Å; W534-F537 HydrophobicContact CE3-CD1 4.17Å; W534-F537 HydrophobicContact CH2-CD1 4.24Å; W534-F537 AromaticContact CH2-CE1 3.96Å; W534-F537 HydrophobicContact CH2-CE1 3.96Å; W534-F537 AromaticContact CZ3-CD1 3.99Å; W534-F537 HydrophobicContact CZ3-CD1 3.99Å; W534-F537 AromaticContact CZ3-CE1 3.97Å; W534-F537 HydrophobicContact CZ3-CE1 3.97Å; W534-F537 PolarHBondContact O-N 3.14Å; I535-F537 VanDerWaalsContact C-N 3.34Å; I535-F537 PolarHBondContact O-N 2.87Å; F537-N539 VanDerWaalsContact C-N 3.33Å; F537-N539 PolarHBondContact O-N 3.11Å; F537-W540 HydrophobicContact CD2-CE3 4.27Å; F537-W540 HydrophobicContact CE2-CE3 4.4Å; F537-W540 HydrophobicContact CE2-CZ3 4.33Å; F537-W540 PolarHBondContact O-N 2.97Å; F537-F541 HydrophobicContact CE2-CB 4.23Å; F537-F541 HydrophobicContact CE2-CD2 4.23Å; F537-F541 HydrophobicContact CZ-CB 4.25Å; F537-F541 HydrophobicContact CZ-CD2 4.06Å; F537-F541 HydrophobicContact CZ-CG 4.34Å; F537-F541 VanDerWaalsContact O-CB 3.31Å; F537-F541 WeakPolarHBondContact O-CB 3.46Å; F537-F541 PolarHBondContact O-N 3.16Å
538	E	92.6	Very high	85.7	Confident	84 Å²	84	62.1 Å²	62.1	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-41	-176.3	-179.8	169.4	-147.7	0	0	112	W534 I535 S542	W534-E538 PolarHBondContact NE1-OE2 2.96Å; W534-E538 WeakPolarHBondContact O-CB 3.26Å; W534-E538 PolarHBondContact O-N 3.05Å; I535-E538 PolarHBondContact O-N 3.08Å; E538-S542 WeakPolarHBondContact O-CB 3.4Å; E538-S542 PolarHBondContact O-N 3.24Å; E538-S542 PolarHBondContact O-OG 2.92Å
539	N	93.1	Very high	83.8	Confident	92 Å²	92	59.2 Å²	59.2	49%	0.492	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-49.2	174.1	-74.5	-26.2	0	0	0	111.5	I535 F537 F541 S542 L543	I535-N539 WeakPolarHBondContact O-CB 3.2Å; I535-N539 VanDerWaalsContact O-CG 3.27Å; I535-N539 PolarHBondContact O-N 3.45Å; I535-N539 PolarHBondContact O-ND2 2.84Å; F537-N539 VanDerWaalsContact C-N 3.33Å; F537-N539 PolarHBondContact O-N 3.11Å; N539-F541 PolarHBondContact O-N 2.9Å; N539-S542 PolarHBondContact O-N 3.22Å; N539-L543 WeakPolarHBondContact O-CB 3.23Å; N539-L543 VanDerWaalsContact O-CG 3.29Å; N539-L543 WeakPolarHBondContact O-CG 3.44Å; N539-L543 PolarHBondContact O-N 3.5Å
540	W	93.4	Very high	81.4	Confident	30 Å²	30	60.5 Å²	60.5	11%	0.114	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-45.7	178.1	170.6	77.1	0	0	0	111.9	F521 K529 F531 T536 F537 S542 L543 T544 L545	F521-W540 HydrophobicContact CB-CH2 3.88Å; F521-W540 HydrophobicContact CB-CZ3 4.29Å; F521-W540 AromaticContact CD1-CH2 3.63Å; F521-W540 HydrophobicContact CD1-CH2 3.63Å; F521-W540 AromaticContact CD1-CZ2 3.9Å; F521-W540 HydrophobicContact CD1-CZ2 3.9Å; F521-W540 AromaticContact CD2-CH2 3.87Å; F521-W540 HydrophobicContact CD2-CH2 3.87Å; F521-W540 HydrophobicContact CE1-CH2 4.07Å; F521-W540 HydrophobicContact CE1-CZ2 4.2Å; F521-W540 HydrophobicContact CE2-CH2 4.27Å; F521-W540 AromaticContact CG-CH2 3.51Å; F521-W540 HydrophobicContact CG-CH2 3.51Å; F521-W540 HydrophobicContact CG-CZ2 4.24Å; F521-W540 HydrophobicContact CG-CZ3 4.3Å; F521-W540 HydrophobicContact CZ-CH2 4.37Å; K529-W540 HydrophobicContact CD-CD2 4.19Å; K529-W540 VanDerWaalsContact CD-CE2 3.5Å; K529-W540 HydrophobicContact CD-CG 4.41Å; K529-W540 HydrophobicContact CD-CZ2 3.8Å; K529-W540 VanDerWaalsContact CE-NE1 3.32Å; F531-W540 HydrophobicContact CE1-CB 3.72Å; F531-W540 HydrophobicContact CE1-CD2 4.05Å; F531-W540 HydrophobicContact CE1-CE3 4.23Å; F531-W540 AromaticContact CE1-CG 3.81Å; F531-W540 HydrophobicContact CE1-CG 3.81Å; F531-W540 HydrophobicContact CE2-CD2 4.19Å; F531-W540 AromaticContact CE2-CE3 3.74Å; F531-W540 HydrophobicContact CE2-CE3 3.74Å; F531-W540 HydrophobicContact CE2-CZ3 4.01Å; F531-W540 HydrophobicContact CZ-CB 3.97Å; F531-W540 AromaticContact CZ-CD2 3.34Å; F531-W540 HydrophobicContact CZ-CD2 3.34Å; F531-W540 AromaticContact CZ-CE3 3.33Å; F531-W540 HydrophobicContact CZ-CE3 3.33Å; F531-W540 AromaticContact CZ-CG 3.6Å; F531-W540 HydrophobicContact CZ-CG 3.6Å; F531-W540 AromaticContact CZ-CZ3 3.99Å; F531-W540 HydrophobicContact CZ-CZ3 3.99Å; T536-W540 WeakPolarHBondContact O-CB 3.23Å; T536-W540 PolarHBondContact O-N 2.71Å; F537-W540 HydrophobicContact CD2-CE3 4.27Å; F537-W540 HydrophobicContact CE2-CE3 4.4Å; F537-W540 HydrophobicContact CE2-CZ3 4.33Å; F537-W540 PolarHBondContact O-N 2.97Å; W540-S542 PolarHBondContact O-N 2.61Å; W540-L543 PolarHBondContact O-N 2.97Å; W540-T544 VanDerWaalsContact CD1-OG1 3.28Å; W540-T544 HydrophobicContact CZ2-CG2 4.2Å; W540-T544 PolarHBondContact NE1-OG1 2.83Å; W540-T544 VanDerWaalsContact NE1-OG1 3.16Å; W540-T544 WeakPolarHBondContact O-CB 3.31Å; W540-T544 PolarHBondContact O-N 2.99Å; W540-T544 PolarHBondContact O-OG1 3.19Å; W540-L545 HydrophobicContact CH2-CD1 3.49Å; W540-L545 VanDerWaalsContact CH2-CD1 3.49Å; W540-L545 HydrophobicContact CH2-CG 4.06Å; W540-L545 HydrophobicContact CZ2-CD1 4.37Å; W540-L545 HydrophobicContact CZ2-CG 4.48Å; W540-L545 HydrophobicContact CZ3-CD1 3.66Å; W540-L545 HydrophobicContact CZ3-CG 4.42Å
541	F	91.1	Very high	78.6	Confident	1 Å²	1	64.2 Å²	64.2	0%	0.004	36%	0.355	C	S	.	.	H	α-helix	trans	-59.7	-47.6	179.8	-177.9	-85.7	0	0	0	110.9	I464 L485 T489 L494 F496 F537 N539 L543 T544 L545 K546	I464-F541 HydrophobicContact CD1-CD2 3.68Å; I464-F541 HydrophobicContact CD1-CE2 3.61Å; L485-F541 HydrophobicContact CD1-CD1 3.65Å; L485-F541 HydrophobicContact CD1-CE1 3.43Å; L485-F541 VanDerWaalsContact CD1-CE1 3.43Å; L485-F541 HydrophobicContact CD1-CZ 4.15Å; L485-F541 HydrophobicContact CD2-CD1 3.85Å; L485-F541 HydrophobicContact CD2-CD2 4.07Å; L485-F541 HydrophobicContact CD2-CE1 4.01Å; L485-F541 HydrophobicContact CD2-CE2 4.23Å; L485-F541 HydrophobicContact CD2-CG 3.89Å; L485-F541 HydrophobicContact CD2-CZ 4.2Å; L485-F541 HydrophobicContact CG-CD1 4.1Å; L485-F541 HydrophobicContact CG-CE1 3.8Å; L485-F541 HydrophobicContact CG-CZ 4.04Å; T489-F541 HydrophobicContact CG2-CZ 4.1Å; T489-F541 WeakPolarHBondContact OG1-CZ 3.37Å; L494-F541 HydrophobicContact CD2-CE2 4.03Å; F496-F541 HydrophobicContact CE1-CE2 4.04Å; F496-F541 HydrophobicContact CE1-CZ 4.45Å; F496-F541 AromaticContact CZ-CE2 3.59Å; F496-F541 HydrophobicContact CZ-CE2 3.59Å; F496-F541 AromaticContact CZ-CZ 3.78Å; F496-F541 HydrophobicContact CZ-CZ 3.78Å; F537-F541 HydrophobicContact CE2-CB 4.23Å; F537-F541 HydrophobicContact CE2-CD2 4.23Å; F537-F541 HydrophobicContact CZ-CB 4.25Å; F537-F541 HydrophobicContact CZ-CD2 4.06Å; F537-F541 HydrophobicContact CZ-CG 4.34Å; F537-F541 VanDerWaalsContact O-CB 3.31Å; F537-F541 WeakPolarHBondContact O-CB 3.46Å; F537-F541 PolarHBondContact O-N 3.16Å; N539-F541 PolarHBondContact O-N 2.9Å; F541-L543 VanDerWaalsContact C-N 3.33Å; F541-L543 PolarHBondContact O-N 3.27Å; F541-T544 PolarHBondContact O-N 2.67Å; F541-L545 HydrophobicContact CD2-CB 4.12Å; F541-L545 HydrophobicContact CD2-CD1 3.7Å; F541-L545 HydrophobicContact CD2-CG 4.49Å; F541-L545 HydrophobicContact CE2-CB 4Å; F541-L545 HydrophobicContact CE2-CD1 3.79Å; F541-L545 HydrophobicContact CZ-CB 4.34Å; F541-L545 PolarHBondContact O-N 3.15Å; F541-K546 HydrophobicContact CD1-CB 4.45Å; F541-K546 HydrophobicContact CE1-CB 4.22Å; F541-K546 PolarHBondContact O-N 3.05Å
542	S	87.9	Confident	75.9	Confident	53 Å²	53	73.5 Å²	73.5	37%	0.371	40%	0.398	S	S	.	.	I	π-helix	trans	-63	-39.3	179.5	-62.1	0	0	0	0	112.3	E538 N539 W540	E538-S542 WeakPolarHBondContact O-CB 3.4Å; E538-S542 PolarHBondContact O-N 3.24Å; E538-S542 PolarHBondContact O-OG 2.92Å; N539-S542 PolarHBondContact O-N 3.22Å; W540-S542 PolarHBondContact O-N 2.61Å
543	L	86.8	Confident	75.2	Confident	136 Å²	136	73.7 Å²	73.7	71%	0.712	40%	0.397	S	S	*	.	I	π-helix	trans	-78.5	-30.6	-178.9	-71.1	171.8	0	0	0	114	N539 W540 F541 S547	N539-L543 WeakPolarHBondContact O-CB 3.23Å; N539-L543 VanDerWaalsContact O-CG 3.29Å; N539-L543 WeakPolarHBondContact O-CG 3.44Å; N539-L543 PolarHBondContact O-N 3.5Å; W540-L543 PolarHBondContact O-N 2.97Å; F541-L543 VanDerWaalsContact C-N 3.33Å; F541-L543 PolarHBondContact O-N 3.27Å; L543-S547 PolarHBondContact O-OG 2.63Å
544	T	83.3	Confident	74.6	Confident	65 Å²	65	74.4 Å²	74.4	40%	0.399	40%	0.401	S	S	.	.	I	π-helix	trans	-109.3	-41.2	-166.8	-47.8	0	0	0	0	112.9	W540 F541 A548	W540-T544 VanDerWaalsContact CD1-OG1 3.28Å; W540-T544 HydrophobicContact CZ2-CG2 4.2Å; W540-T544 PolarHBondContact NE1-OG1 2.83Å; W540-T544 VanDerWaalsContact NE1-OG1 3.16Å; W540-T544 WeakPolarHBondContact O-CB 3.31Å; W540-T544 PolarHBondContact O-N 2.99Å; W540-T544 PolarHBondContact O-OG1 3.19Å; F541-T544 PolarHBondContact O-N 2.67Å; T544-A548 WeakPolarHBondContact O-CB 3.46Å
545	L	76.5	Confident	73.7	Confident	14 Å²	14	77.8 Å²	77.8	7%	0.073	42%	0.42	C	S	.	.	I	π-helix	trans	-105.2	-39.4	-173.3	-67.2	176.4	0	0	0	112.1	I464 L494 F521 W540 F541 N549	I464-L545 HydrophobicContact CD1-CD1 3.82Å; L494-L545 HydrophobicContact CD2-CD1 4.04Å; F521-L545 HydrophobicContact CE2-CD1 4.31Å; W540-L545 HydrophobicContact CH2-CD1 3.49Å; W540-L545 VanDerWaalsContact CH2-CD1 3.49Å; W540-L545 HydrophobicContact CH2-CG 4.06Å; W540-L545 HydrophobicContact CZ2-CD1 4.37Å; W540-L545 HydrophobicContact CZ2-CG 4.48Å; W540-L545 HydrophobicContact CZ3-CD1 3.66Å; W540-L545 HydrophobicContact CZ3-CG 4.42Å; F541-L545 HydrophobicContact CD2-CB 4.12Å; F541-L545 HydrophobicContact CD2-CD1 3.7Å; F541-L545 HydrophobicContact CD2-CG 4.49Å; F541-L545 HydrophobicContact CE2-CB 4Å; F541-L545 HydrophobicContact CE2-CD1 3.79Å; F541-L545 HydrophobicContact CZ-CB 4.34Å; F541-L545 PolarHBondContact O-N 3.15Å; L545-N549 PolarHBondContact O-N 2.89Å
546	K	69.5	Low	72.7	Confident	107 Å²	107	75.8 Å²	75.8	47%	0.465	41%	0.411	S	S	.	.	I	π-helix	trans	-71.2	-38.5	178.6	-159.7	173	-175.6	172.4	0	112.3	F541 N549	F541-K546 HydrophobicContact CD1-CB 4.45Å; F541-K546 HydrophobicContact CE1-CB 4.22Å; F541-K546 PolarHBondContact O-N 3.05Å; K546-N549 PolarHBondContact O-N 2.66Å
547	S	58.6	Low	71.5	Confident	51 Å²	51	76.2 Å²	76.2	36%	0.357	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-37.2	176.1	61.2	0	0	0	0	112.9	L543 N549 V550	L543-S547 PolarHBondContact O-OG 2.63Å; S547-N549 VanDerWaalsContact C-N 3.27Å; S547-N549 PolarHBondContact O-N 3.22Å; S547-V550 PolarHBondContact O-N 2.84Å; S547-V550 VanDerWaalsContact O-N 3.11Å
548	A	55.1	Low	69.9	Low	48 Å²	48	81.3 Å²	81.3	40%	0.397	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-63.5	-32.6	176.8	0	0	0	0	0	112.5	T544 V550 I551	T544-A548 WeakPolarHBondContact O-CB 3.46Å; A548-V550 VanDerWaalsContact C-N 3.28Å; A548-V550 PolarHBondContact O-N 3.49Å; A548-I551 PolarHBondContact O-N 3.16Å
549	N	50.5	Low	68.3	Low	62 Å²	62	81.1 Å²	81.1	33%	0.332	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-76.1	-9.3	175.7	-74.4	-15	0	0	0	114.1	L545 K546 S547	L545-N549 PolarHBondContact O-N 2.89Å; K546-N549 PolarHBondContact O-N 2.66Å; S547-N549 VanDerWaalsContact C-N 3.27Å; S547-N549 PolarHBondContact O-N 3.22Å
550	V	42.8	Very low	66.4	Low	119 Å²	119	80.2 Å²	80.2	72%	0.721	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-91.4	-10.4	174.1	-179.9	0	0	0	0	111.6	S547 A548	S547-V550 PolarHBondContact O-N 2.84Å; S547-V550 VanDerWaalsContact O-N 3.11Å; A548-V550 VanDerWaalsContact C-N 3.28Å; A548-V550 PolarHBondContact O-N 3.49Å
551	I	32.9	Very low	64.2	Low	148 Å²	148	84.4 Å²	84.4	76%	0.759	46%	0.464	S	S	*	.			trans	-103.7	3.9	-175.5	-57.4	172.7	0	0	0	112.4	A548	A548-I551 PolarHBondContact O-N 3.16Å
552	Q	34.9	Very low	61.7	Low	209 Å²	209	92 Å²	92	98%	0.977	51%	0.506	S	S	*	.			trans	-98.7	0	162	-72.9	-173.2	-14.3	0	0	109.8

Retrieved 552 of 552 residues in 3834.6 ms (Link to these results)

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