A0A077ZMM0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZMM0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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	44.3	Very low	45.7	Very low	212 Å²	212	105.5 Å²	105.5	100%	1.044	58%	0.575	S	S	*	*				0	121.2	0	-73.5	170.4	68	0	0	107.5
2	S	44.4	Very low	45.4	Very low	70 Å²	70	102 Å²	102	49%	0.49	56%	0.564	S	S	.	*			trans	-69.5	137.4	-178.8	175.4	0	0	0	0	110.1	A4 F5	S2-A4 PolarHBondContact O-N 3.42Å; S2-A4 VanDerWaalsContact O-N 3.11Å; S2-F5 PolarHBondContact O-N 3.28Å
3	P	49.7	Very low	45.4	Very low	96 Å²	96	102.1 Å²	102.1	62%	0.623	56%	0.561	S	S	*	*	H	α-helix	trans	-53.7	-30.3	176.9	-24	33	0	0	0	113.4	F5 I6 I7	P3-F5 VanDerWaalsContact C-N 3.3Å; P3-F5 PolarHBondContact O-N 3.11Å; P3-I6 PolarHBondContact O-N 3.06Å; P3-I7 PolarHBondContact O-N 3.28Å
4	A	42.5	Very low	44.9	Very low	58 Å²	58	102.9 Å²	102.9	48%	0.479	56%	0.564	S	S	.	*	H	α-helix	trans	-63.9	-32.5	178.9	0	0	0	0	0	113.2	S2 I8	S2-A4 PolarHBondContact O-N 3.42Å; S2-A4 VanDerWaalsContact O-N 3.11Å; A4-I8 WeakPolarHBondContact O-CG1 3.49Å; A4-I8 PolarHBondContact O-N 3.1Å
5	F	44.3	Very low	44.7	Very low	152 Å²	152	102.3 Å²	102.3	67%	0.667	56%	0.56	S	S	*	*	H	α-helix	trans	-70.8	-33.6	178.8	-116.1	-88.9	0	0	0	111.9	S2 P3 T9	S2-F5 PolarHBondContact O-N 3.28Å; P3-F5 VanDerWaalsContact C-N 3.3Å; P3-F5 PolarHBondContact O-N 3.11Å; F5-T9 PolarHBondContact O-N 3.38Å; F5-T9 PolarHBondContact O-OG1 3.07Å
6	I	48.5	Very low	44.3	Very low	83 Å²	83	100.7 Å²	100.7	43%	0.426	56%	0.564	S	S	.	*	H	α-helix	trans	-70.5	-36.4	-179.1	-62.4	174	0	0	0	110.7	P3 L10	P3-I6 PolarHBondContact O-N 3.06Å; I6-L10 HydrophobicContact CG2-CD1 3.87Å; I6-L10 WeakPolarHBondContact O-CB 3.39Å; I6-L10 WeakPolarHBondContact O-CG 3.34Å; I6-L10 PolarHBondContact O-N 3.43Å
7	I	45.8	Very low	43.9	Very low	101 Å²	101	98.8 Å²	98.8	52%	0.518	56%	0.56	S	S	.	*	H	α-helix	trans	-70	-42.9	-180	-62.9	171.4	0	0	0	111	P3 T9 L10 I11	P3-I7 PolarHBondContact O-N 3.28Å; I7-T9 VanDerWaalsContact C-N 3.33Å; I7-T9 PolarHBondContact O-N 3.44Å; I7-L10 PolarHBondContact O-N 3.05Å; I7-I11 HydrophobicContact CG2-CD1 3.9Å; I7-I11 WeakPolarHBondContact O-CG1 3.48Å; I7-I11 PolarHBondContact O-N 3.2Å
8	I	48.8	Very low	43.7	Very low	110 Å²	110	102.6 Å²	102.6	56%	0.564	57%	0.571	S	S	*	*	H	α-helix	trans	-62.3	-42.9	177.5	-65.3	170.2	0	0	0	110.4	A4 L10 I11 S12	A4-I8 WeakPolarHBondContact O-CG1 3.49Å; A4-I8 PolarHBondContact O-N 3.1Å; I8-L10 PolarHBondContact O-N 3.45Å; I8-I11 PolarHBondContact O-N 3.4Å; I8-S12 PolarHBondContact O-N 3.46Å; I8-S12 VanDerWaalsContact O-N 3.14Å; I8-S12 PolarHBondContact O-OG 3.2Å
9	T	46.7	Very low	43.8	Very low	74 Å²	74	101.8 Å²	101.8	45%	0.454	57%	0.57	S	S	.	*	H	α-helix	trans	-66.3	-36.7	178.8	-44.6	0	0	0	0	112.3	F5 I7 S12 I13	F5-T9 PolarHBondContact O-N 3.38Å; F5-T9 PolarHBondContact O-OG1 3.07Å; I7-T9 VanDerWaalsContact C-N 3.33Å; I7-T9 PolarHBondContact O-N 3.44Å; T9-S12 PolarHBondContact O-N 3.22Å; T9-I13 HydrophobicContact CG2-CD1 4.1Å; T9-I13 WeakPolarHBondContact O-CD1 3.27Å; T9-I13 VanDerWaalsContact O-CG1 3.27Å; T9-I13 WeakPolarHBondContact O-CG1 3.47Å; T9-I13 PolarHBondContact O-N 3.04Å; T9-I13 VanDerWaalsContact O-N 3.11Å
10	L	39.9	Very low	43.4	Very low	102 Å²	102	102.1 Å²	102.1	53%	0.534	58%	0.578	S	S	.	*	H	α-helix	trans	-68.3	-39.4	177.9	-80.2	163.7	0	0	0	112.6	I6 I7 I8 S12 I13 D14	I6-L10 HydrophobicContact CG2-CD1 3.87Å; I6-L10 WeakPolarHBondContact O-CB 3.39Å; I6-L10 WeakPolarHBondContact O-CG 3.34Å; I6-L10 PolarHBondContact O-N 3.43Å; I7-L10 PolarHBondContact O-N 3.05Å; I8-L10 PolarHBondContact O-N 3.45Å; L10-S12 VanDerWaalsContact C-N 3.29Å; L10-S12 PolarHBondContact O-N 3.15Å; L10-I13 PolarHBondContact O-N 3.06Å; L10-D14 PolarHBondContact O-N 3.46Å
11	I	47.6	Very low	43.2	Very low	102 Å²	102	101.3 Å²	101.3	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-63.4	-38.8	174.8	-65.1	166.4	0	0	0	110.5	I7 I8 I13 L15	I7-I11 HydrophobicContact CG2-CD1 3.9Å; I7-I11 WeakPolarHBondContact O-CG1 3.48Å; I7-I11 PolarHBondContact O-N 3.2Å; I8-I11 PolarHBondContact O-N 3.4Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.37Å; I11-L15 HydrophobicContact CG2-CD1 4.4Å; I11-L15 PolarHBondContact O-N 2.86Å; I11-L15 VanDerWaalsContact O-N 3.1Å
12	S	41.9	Very low	43	Very low	64 Å²	64	103.6 Å²	103.6	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-66.1	-32.2	175.5	-51.7	0	0	0	0	113.4	I8 T9 L10 A16	I8-S12 PolarHBondContact O-N 3.46Å; I8-S12 VanDerWaalsContact O-N 3.14Å; I8-S12 PolarHBondContact O-OG 3.2Å; T9-S12 PolarHBondContact O-N 3.22Å; L10-S12 VanDerWaalsContact C-N 3.29Å; L10-S12 PolarHBondContact O-N 3.15Å; S12-A16 WeakPolarHBondContact O-CB 3.48Å; S12-A16 PolarHBondContact O-N 2.97Å
13	I	45.2	Very low	43.2	Very low	103 Å²	103	104.1 Å²	104.1	53%	0.528	57%	0.57	S	S	.	*	H	α-helix	trans	-77.7	-38.4	179.8	-67.3	164.1	0	0	0	111.4	T9 L10 I11 S17	T9-I13 HydrophobicContact CG2-CD1 4.1Å; T9-I13 WeakPolarHBondContact O-CD1 3.27Å; T9-I13 VanDerWaalsContact O-CG1 3.27Å; T9-I13 WeakPolarHBondContact O-CG1 3.47Å; T9-I13 PolarHBondContact O-N 3.04Å; T9-I13 VanDerWaalsContact O-N 3.11Å; L10-I13 PolarHBondContact O-N 3.06Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.37Å; I13-S17 WeakPolarHBondContact O-CB 3.43Å; I13-S17 PolarHBondContact O-N 3.14Å; I13-S17 PolarHBondContact O-OG 3.37Å; I13-S17 VanDerWaalsContact O-OG 3.06Å
14	D	39	Very low	43.3	Very low	113 Å²	113	101 Å²	101	60%	0.604	55%	0.552	S	S	*	*	H	α-helix	trans	-72.9	-32.9	177.1	-99.5	-14.5	0	0	0	112.6	L10 S17	L10-D14 PolarHBondContact O-N 3.46Å; D14-S17 PolarHBondContact O-OG 2.96Å
15	L	42	Very low	44.1	Very low	94 Å²	94	107.5 Å²	107.5	49%	0.492	57%	0.566	S	S	.	*	H	α-helix	trans	-70.3	-39.9	173.2	-108.4	79.6	0	0	0	112.5	I11 S17 H18	I11-L15 HydrophobicContact CG2-CD1 4.4Å; I11-L15 PolarHBondContact O-N 2.86Å; I11-L15 VanDerWaalsContact O-N 3.1Å; L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 3.11Å; L15-H18 PolarHBondContact O-N 2.64Å
16	A	38.7	Very low	45.6	Very low	77 Å²	77	106.6 Å²	106.6	64%	0.636	56%	0.558	S	S	*	*	H	α-helix	trans	-69.5	-25.6	179.8	0	0	0	0	0	113.1	S12	S12-A16 WeakPolarHBondContact O-CB 3.48Å; S12-A16 PolarHBondContact O-N 2.97Å
17	S	36.9	Very low	47.3	Very low	69 Å²	69	102.7 Å²	102.7	48%	0.483	54%	0.538	S	S	.	.	H	α-helix	trans	-84.2	-13.7	-179.3	59.5	0	0	0	0	114.1	I13 D14 L15	I13-S17 WeakPolarHBondContact O-CB 3.43Å; I13-S17 PolarHBondContact O-N 3.14Å; I13-S17 PolarHBondContact O-OG 3.37Å; I13-S17 VanDerWaalsContact O-OG 3.06Å; D14-S17 PolarHBondContact O-OG 2.96Å; L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 3.11Å
18	H	40.9	Very low	49	Very low	166 Å²	166	98.1 Å²	98.1	77%	0.769	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	0.3	178.7	-99.1	-31.5	0	0	0	116.2	L15	L15-H18 PolarHBondContact O-N 2.64Å
19	V	44.5	Very low	50.4	Low	89 Å²	89	93.9 Å²	93.9	54%	0.539	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	33.1	174.7	-162.1	0	0	0	0	111.4	A24	V19-A24 HydrophobicContact CG1-CB 4.01Å; V19-A24 WeakPolarHBondContact O-CB 3.33Å
20	S	36.5	Very low	52	Low	106 Å²	106	93.9 Å²	93.9	74%	0.741	49%	0.49	S	S	*	.			trans	-113.9	62.4	171.9	-164.9	0	0	0	0	111.1
21	T	40	Very low	53.8	Low	87 Å²	87	90 Å²	90	53%	0.534	47%	0.473	S	S	.	.	S	Bend	trans	-122	138.5	163	51.3	0	0	0	0	106.7	D23 A24	T21-D23 PolarHBondContact O-N 3.46Å; T21-A24 WeakPolarHBondContact O-CB 3.32Å; T21-A24 PolarHBondContact O-N 3.24Å
22	R	39.3	Very low	55.3	Low	260 Å²	260	91.4 Å²	91.4	98%	0.981	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	2.1	-169.9	-71	176.3	170.9	172.9	-3.9	117.9
23	D	48.8	Very low	56.6	Low	81 Å²	81	92 Å²	92	43%	0.433	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	0.4	171.8	-69.7	-45.2	0	0	0	114.6	T21 Y25 R26 M33	T21-D23 PolarHBondContact O-N 3.46Å; D23-Y25 PolarHBondContact O-N 3.35Å; D23-R26 PolarHBondContact O-N 3.45Å; D23-M33 HydrophobicContact CB-SD 4.19Å
24	A	51.6	Low	58.2	Low	29 Å²	29	89 Å²	89	24%	0.24	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	13.9	-173.5	0	0	0	0	0	117	V19 T21 P226	V19-A24 HydrophobicContact CG1-CB 4.01Å; V19-A24 WeakPolarHBondContact O-CB 3.33Å; T21-A24 WeakPolarHBondContact O-CB 3.32Å; T21-A24 PolarHBondContact O-N 3.24Å; A24-P226 VanDerWaalsContact O-OXT 3.09Å
25	Y	59.9	Low	60.4	Low	195 Å²	195	83.8 Å²	83.8	77%	0.765	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	24	178.2	-75.2	-72.3	0	0	0	112.4	D23 P226	D23-Y25 PolarHBondContact O-N 3.35Å; Y25-P226 VanDerWaalsContact C-CB 3.48Å; Y25-P226 VanDerWaalsContact CA-C 3.43Å; Y25-P226 WeakPolarHBondContact CA-O 3.45Å; Y25-P226 WeakPolarHBondContact CA-OXT 3.44Å; Y25-P226 WeakPolarHBondContact O-CB 3.38Å
26	R	74.7	Confident	62.7	Low	134 Å²	134	79.3 Å²	79.3	51%	0.506	41%	0.411	S	S	.	.	S	Bend	trans	-134.5	136.2	-170	-79	-174.9	-175.8	-174.3	5.1	108.9	D23 E30 A31 P226	D23-R26 PolarHBondContact O-N 3.45Å; R26-E30 HydrophobicContact CB-CB 3.84Å; R26-E30 HydrophobicContact CG-CB 4.12Å; R26-A31 HydrophobicContact CB-CB 3.8Å; R26-P226 PolarHBondContact N-OXT 3.01Å
27	C	84.6	Confident	65.1	Low	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.381	C	S	.	.			trans	-57.4	156.4	172.7	-61.9	0	0	0	0	110.7	S29 E30 A31 K38 C43	C27-S29 VanDerWaalsContact CB-OG 3.26Å; C27-S29 WeakPolarHBondContact CB-OG 3.43Å; C27-S29 PolarHBondContact O-N 3.46Å; C27-E30 PolarHBondContact N-OE2 2.94Å; C27-E30 WeakPolarHBondContact O-CA 3.35Å; C27-E30 PolarHBondContact O-N 2.99Å; C27-A31 PolarHBondContact O-N 3.49Å; C27-K38 HydrophobicContact CB-CB 4.4Å; C27-C43 WeakPolarHBondContact CA-SG 3.26Å; C27-C43 HydrophobicContact CB-CB 3.71Å; C27-C43 WeakPolarHBondContact CB-SG 3.35Å; C27-C43 WeakPolarHBondContact SG-CA 3.47Å; C27-C43 WeakPolarHBondContact SG-CB 3.41Å; C27-C43 CovalentContact SG-SG 2.02Å; C27-C43 PolarHBondContact SG-SG 2.95Å
28	P	81.2	Confident	67.5	Low	6 Å²	6	75.5 Å²	75.5	4%	0.039	37%	0.371	C	S	.	.	H	α-helix	trans	-50.3	-33.7	175.3	-30	36	0	0	0	113.4	E30 K32 M33 A34 T45	P28-E30 VanDerWaalsContact C-N 3.33Å; P28-E30 PolarHBondContact O-N 3.37Å; P28-K32 WeakPolarHBondContact O-CA 3.32Å; P28-K32 PolarHBondContact O-N 2.95Å; P28-M33 WeakPolarHBondContact CA-O 3.46Å; P28-M33 WeakPolarHBondContact CB-O 3.05Å; P28-A34 HydrophobicContact CB-CB 4.48Å; P28-A34 HydrophobicContact CG-CB 4.48Å; P28-T45 HydrophobicContact CG-CG2 3.97Å; P28-T45 WeakPolarHBondContact CG-OG1 3.34Å
29	S	78.6	Confident	69.7	Low	20 Å²	20	70.7 Å²	70.7	14%	0.14	35%	0.346	C	S	.	.	H	α-helix	trans	-57.5	-39.1	173.4	61.1	0	0	0	0	115.2	C27 T90	C27-S29 VanDerWaalsContact CB-OG 3.26Å; C27-S29 WeakPolarHBondContact CB-OG 3.43Å; C27-S29 PolarHBondContact O-N 3.46Å; S29-T90 WeakPolarHBondContact CB-O 3.49Å
30	E	79.8	Confident	71.7	Confident	74 Å²	74	77.1 Å²	77.1	35%	0.346	36%	0.361	S	S	.	.	H	α-helix	trans	-91.8	-41.4	-175.1	-66.8	175	167.6	0	0	111.3	R26 C27 P28 K38	R26-E30 HydrophobicContact CB-CB 3.84Å; R26-E30 HydrophobicContact CG-CB 4.12Å; C27-E30 PolarHBondContact N-OE2 2.94Å; C27-E30 WeakPolarHBondContact O-CA 3.35Å; C27-E30 PolarHBondContact O-N 2.99Å; P28-E30 VanDerWaalsContact C-N 3.33Å; P28-E30 PolarHBondContact O-N 3.37Å; E30-K38 WeakPolarHBondContact OE1-CD 3.24Å; E30-K38 IonicContact OE1-NZ 3.42Å; E30-K38 PolarHBondContact OE1-NZ 2.8Å
31	A	78.6	Confident	74.1	Confident	22 Å²	22	76.6 Å²	76.6	18%	0.182	36%	0.357	C	S	.	.	H	α-helix	trans	-83.7	-15.8	-179.2	0	0	0	0	0	113	R26 C27 M33	R26-A31 HydrophobicContact CB-CB 3.8Å; C27-A31 PolarHBondContact O-N 3.49Å; A31-M33 HydrophobicContact CB-CE 3.96Å; A31-M33 HydrophobicContact CB-CG 3.23Å; A31-M33 HydrophobicContact CB-SD 3.66Å; A31-M33 PolarHBondContact O-N 2.94Å
32	K	78.8	Confident	76.5	Confident	130 Å²	130	75.5 Å²	75.5	57%	0.565	35%	0.346	S	S	*	.			trans	57.7	31.7	-175.4	-65.1	-177.5	179.9	177.1	0	113.9	P28 W92	P28-K32 WeakPolarHBondContact O-CA 3.32Å; P28-K32 PolarHBondContact O-N 2.95Å; K32-W92 VanDerWaalsContact CA-CE2 3.49Å; K32-W92 VanDerWaalsContact CA-NE1 3.3Å; K32-W92 HydrophobicContact CB-CD2 4.14Å; K32-W92 HydrophobicContact CB-CH2 4.06Å; K32-W92 HydrophobicContact CB-CZ2 3.58Å; K32-W92 HydrophobicContact CD-CE3 4.48Å; K32-W92 HydrophobicContact CD-CH2 3.95Å; K32-W92 HydrophobicContact CD-CZ2 4.35Å; K32-W92 HydrophobicContact CD-CZ3 4.04Å; K32-W92 HydrophobicContact CG-CD2 4.01Å; K32-W92 HydrophobicContact CG-CE3 4.03Å; K32-W92 HydrophobicContact CG-CH2 4.02Å; K32-W92 HydrophobicContact CG-CZ2 4Å; K32-W92 HydrophobicContact CG-CZ3 4.04Å; K32-W92 PolarHBondContact O-NE1 2.89Å
33	M	69.5	Low	78.9	Confident	76 Å²	76	63.1 Å²	63.1	37%	0.374	30%	0.299	S	S	.	.			trans	-126.9	126.5	179.9	34.8	-176.1	-113.6	0	0	107.9	D23 P28 A31	D23-M33 HydrophobicContact CB-SD 4.19Å; P28-M33 WeakPolarHBondContact CA-O 3.46Å; P28-M33 WeakPolarHBondContact CB-O 3.05Å; A31-M33 HydrophobicContact CB-CE 3.96Å; A31-M33 HydrophobicContact CB-CG 3.23Å; A31-M33 HydrophobicContact CB-SD 3.66Å; A31-M33 PolarHBondContact O-N 2.94Å
34	A	78.4	Confident	80.9	Confident	40 Å²	40	59.2 Å²	59.2	33%	0.331	28%	0.278	S	S	.	.	S	Bend	trans	75	-161.2	-170.9	0	0	0	0	0	115.9	P28 T45 W92 H94	P28-A34 HydrophobicContact CB-CB 4.48Å; P28-A34 HydrophobicContact CG-CB 4.48Å; A34-T45 HydrophobicContact CB-CG2 4.26Å; A34-W92 PolarHBondContact O-NE1 2.82Å; A34-H94 WeakPolarHBondContact O-CB 3.34Å; A34-H94 PolarHBondContact O-N 2.86Å
35	I	86	Confident	82.7	Confident	5 Å²	5	58 Å²	58	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119	-170.7	-60.5	156.5	0	0	0	108	T45 W46 W92 I93 V97 W102 I108	I35-T45 CarbonylContact O-C 3.48Å; I35-T45 WeakPolarHBondContact O-CA 3.15Å; I35-T45 WeakPolarHBondContact O-CG2 3.39Å; I35-W46 HydrophobicContact CG2-CB 4.21Å; I35-W46 HydrophobicContact CG2-CE3 3.91Å; I35-W46 PolarHBondContact O-N 3.11Å; I35-W92 CarbonylContact C-O 3.6Å; I35-W92 VanDerWaalsContact CA-O 3.3Å; I35-W92 WeakPolarHBondContact CA-O 3.3Å; I35-I93 HydrophobicContact CB-CG2 4.34Å; I35-I93 HydrophobicContact CD1-CG2 4.3Å; I35-I93 HydrophobicContact CG1-CG2 3.77Å; I35-I93 HydrophobicContact CG2-CB 4.35Å; I35-I93 HydrophobicContact CG2-CG1 4.18Å; I35-I93 HydrophobicContact CG2-CG2 3.74Å; I35-V97 HydrophobicContact CD1-CB 4.47Å; I35-V97 HydrophobicContact CD1-CG1 3.84Å; I35-W102 HydrophobicContact CD1-CH2 3.47Å; I35-W102 VanDerWaalsContact CD1-CH2 3.47Å; I35-W102 HydrophobicContact CD1-CZ2 3.16Å; I35-W102 HydrophobicContact CG1-CH2 4.39Å; I35-W102 HydrophobicContact CG1-CZ2 4.45Å; I35-I108 HydrophobicContact CD1-CG2 4.46Å; I35-I108 HydrophobicContact CG2-CD1 4.45Å
36	G	89.2	Confident	84	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	-179.4	-172.2	0	0	0	0	0	113.2	V44 W92	G36-V44 CarbonylContact C-O 3.57Å; G36-V44 WeakPolarHBondContact CA-O 3.33Å; G36-W92 PolarHBondContact N-O 2.89Å; G36-W92 PolarHBondContact O-N 3.32Å
37	F	89	Confident	84.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	169.6	179.3	67.2	-82.8	0	0	0	110.5	R39 V44 W46 Y78 G85 F86 D87 T90	F37-R39 HydrophobicContact CD2-CB 4.49Å; F37-R39 HydrophobicContact CE2-CB 3.93Å; F37-V44 HydrophobicContact CD1-CB 3.78Å; F37-V44 HydrophobicContact CD1-CG1 4.11Å; F37-V44 HydrophobicContact CE1-CB 3.33Å; F37-V44 HydrophobicContact CE1-CG1 3.41Å; F37-V44 VanDerWaalsContact CE1-CG1 3.41Å; F37-V44 HydrophobicContact CE1-CG2 3.91Å; F37-V44 HydrophobicContact CE2-CB 4.16Å; F37-V44 HydrophobicContact CE2-CG2 4.01Å; F37-V44 HydrophobicContact CG-CB 4.42Å; F37-V44 HydrophobicContact CZ-CB 3.55Å; F37-V44 HydrophobicContact CZ-CG1 3.9Å; F37-V44 HydrophobicContact CZ-CG2 3.55Å; F37-V44 PolarHBondContact N-O 3.48Å; F37-V44 PolarHBondContact O-N 2.73Å; F37-W46 AromaticContact CD1-CH2 3.49Å; F37-W46 HydrophobicContact CD1-CH2 3.49Å; F37-W46 VanDerWaalsContact CD1-CH2 3.49Å; F37-W46 AromaticContact CD1-CZ3 3.57Å; F37-W46 HydrophobicContact CD1-CZ3 3.57Å; F37-W46 AromaticContact CE1-CH2 3.42Å; F37-W46 HydrophobicContact CE1-CH2 3.42Å; F37-W46 VanDerWaalsContact CE1-CH2 3.42Å; F37-W46 HydrophobicContact CE1-CZ2 4.19Å; F37-W46 AromaticContact CE1-CZ3 3.94Å; F37-W46 HydrophobicContact CE1-CZ3 3.94Å; F37-Y78 HydrophobicContact CE1-CE1 4.31Å; F37-Y78 AromaticContact CZ-CE1 3.99Å; F37-Y78 HydrophobicContact CZ-CE1 3.99Å; F37-G85 VanDerWaalsContact CE2-O 3.25Å; F37-G85 WeakPolarHBondContact CE2-O 3.35Å; F37-F86 HydrophobicContact CB-CD2 4.43Å; F37-F86 HydrophobicContact CB-CE2 4.13Å; F37-F86 AromaticContact CD1-CD2 3.32Å; F37-F86 HydrophobicContact CD1-CD2 3.32Å; F37-F86 AromaticContact CD1-CE2 3.26Å; F37-F86 HydrophobicContact CD1-CE2 3.26Å; F37-F86 AromaticContact CD2-CD2 3.97Å; F37-F86 HydrophobicContact CD2-CD2 3.97Å; F37-F86 HydrophobicContact CD2-CE2 4.47Å; F37-F86 AromaticContact CE1-CD2 3.27Å; F37-F86 HydrophobicContact CE1-CD2 3.27Å; F37-F86 AromaticContact CE1-CE2 3.61Å; F37-F86 HydrophobicContact CE1-CE2 3.61Å; F37-F86 HydrophobicContact CE1-CG 4.34Å; F37-F86 AromaticContact CE2-CD2 3.97Å; F37-F86 HydrophobicContact CE2-CD2 3.97Å; F37-F86 AromaticContact CG-CD2 3.65Å; F37-F86 HydrophobicContact CG-CD2 3.65Å; F37-F86 AromaticContact CG-CE2 3.72Å; F37-F86 HydrophobicContact CG-CE2 3.72Å; F37-F86 HydrophobicContact CZ-CB 4.47Å; F37-F86 AromaticContact CZ-CD2 3.62Å; F37-F86 HydrophobicContact CZ-CD2 3.62Å; F37-F86 HydrophobicContact CZ-CE2 4.39Å; F37-F86 HydrophobicContact CZ-CG 4.47Å; F37-D87 HydrophobicContact CD2-CB 4Å; F37-T90 WeakPolarHBondContact CA-O 3.21Å
38	K	88.7	Confident	84.6	Confident	65 Å²	65	48.5 Å²	48.5	28%	0.283	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.5	174.5	-175.1	173.9	-169.3	162.5	0	109.6	C27 E30 R40 D87 T90	C27-K38 HydrophobicContact CB-CB 4.4Å; E30-K38 WeakPolarHBondContact OE1-CD 3.24Å; E30-K38 IonicContact OE1-NZ 3.42Å; E30-K38 PolarHBondContact OE1-NZ 2.8Å; K38-R40 WeakPolarHBondContact CE-O 3.45Å; K38-R40 WeakPolarHBondContact CG-O 3.43Å; K38-D87 WeakPolarHBondContact O-CB 3.42Å; K38-T90 HydrophobicContact CB-CG2 4.2Å; K38-T90 PolarHBondContact N-OG1 2.85Å; K38-T90 PolarHBondContact O-OG1 3.49Å
39	R	86.5	Confident	84.8	Confident	65 Å²	65	48.6 Å²	48.6	25%	0.245	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	96.5	173.1	-176	-173.4	178.1	-135	20.6	108.4	F37 S41 E42 V44	F37-R39 HydrophobicContact CD2-CB 4.49Å; F37-R39 HydrophobicContact CE2-CB 3.93Å; R39-S41 PolarHBondContact O-N 2.99Å; R39-E42 CarbonylContact C-O 3.56Å; R39-E42 PolarHBondContact N-O 3.39Å; R39-E42 IonicContact NH1-OE2 2.98Å; R39-E42 PolarHBondContact NH1-OE2 2.88Å; R39-E42 PolarHBondContact O-N 3.29Å; R39-V44 HydrophobicContact CB-CG2 4.15Å
40	R	85.9	Confident	85.1	Confident	225 Å²	225	55.3 Å²	55.3	85%	0.849	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	-111.3	-175.5	-56.4	175.9	178.6	172.9	-0	110.8	K38	K38-R40 WeakPolarHBondContact CE-O 3.45Å; K38-R40 WeakPolarHBondContact CG-O 3.43Å
41	S	87.1	Confident	85.4	Confident	95 Å²	95	53.3 Å²	53.3	66%	0.664	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-5	177.6	52.4	0	0	0	0	113.9	R39 P226	R39-S41 PolarHBondContact O-N 2.99Å; S41-P226 WeakPolarHBondContact O-CD 3.33Å; S41-P226 WeakPolarHBondContact O-CG 3.32Å
42	E	89.6	Confident	85.7	Confident	63 Å²	63	54.6 Å²	54.6	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	169.7	-176.3	-56.1	175.7	123.6	0	0	110.6	R39 I223	R39-E42 CarbonylContact C-O 3.56Å; R39-E42 PolarHBondContact N-O 3.39Å; R39-E42 IonicContact NH1-OE2 2.98Å; R39-E42 PolarHBondContact NH1-OE2 2.88Å; R39-E42 PolarHBondContact O-N 3.29Å; E42-I223 HydrophobicContact CB-CG2 3.75Å; E42-I223 HydrophobicContact CG-CG2 4.16Å
43	C	90	Very high	85.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.6	174.2	-50.5	0	0	0	0	109.2	C27 I223 H224 P226	C27-C43 WeakPolarHBondContact CA-SG 3.26Å; C27-C43 HydrophobicContact CB-CB 3.71Å; C27-C43 WeakPolarHBondContact CB-SG 3.35Å; C27-C43 WeakPolarHBondContact SG-CA 3.47Å; C27-C43 WeakPolarHBondContact SG-CB 3.41Å; C27-C43 CovalentContact SG-SG 2.02Å; C27-C43 PolarHBondContact SG-SG 2.95Å; C43-I223 CarbonylContact O-C 3.52Å; C43-I223 VanDerWaalsContact O-CA 3.27Å; C43-I223 WeakPolarHBondContact O-CA 3.27Å; C43-H224 VanDerWaalsContact CB-CE1 3.43Å; C43-H224 WeakPolarHBondContact CB-CE1 3.29Å; C43-H224 PolarHBondContact N-O 2.92Å; C43-H224 PolarHBondContact O-N 2.85Å; C43-P226 WeakPolarHBondContact SG-CA 3.42Å
44	V	90.3	Very high	85.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.1	167	175.8	0	0	0	0	107.7	G36 F37 R39 Y78 C222 I223	G36-V44 CarbonylContact C-O 3.57Å; G36-V44 WeakPolarHBondContact CA-O 3.33Å; F37-V44 HydrophobicContact CD1-CB 3.78Å; F37-V44 HydrophobicContact CD1-CG1 4.11Å; F37-V44 HydrophobicContact CE1-CB 3.33Å; F37-V44 HydrophobicContact CE1-CG1 3.41Å; F37-V44 VanDerWaalsContact CE1-CG1 3.41Å; F37-V44 HydrophobicContact CE1-CG2 3.91Å; F37-V44 HydrophobicContact CE2-CB 4.16Å; F37-V44 HydrophobicContact CE2-CG2 4.01Å; F37-V44 HydrophobicContact CG-CB 4.42Å; F37-V44 HydrophobicContact CZ-CB 3.55Å; F37-V44 HydrophobicContact CZ-CG1 3.9Å; F37-V44 HydrophobicContact CZ-CG2 3.55Å; F37-V44 PolarHBondContact N-O 3.48Å; F37-V44 PolarHBondContact O-N 2.73Å; R39-V44 HydrophobicContact CB-CG2 4.15Å; V44-Y78 HydrophobicContact CB-CD1 4.41Å; V44-Y78 HydrophobicContact CG1-CD1 3.41Å; V44-Y78 VanDerWaalsContact CG1-CD1 3.41Å; V44-Y78 HydrophobicContact CG1-CE1 3.96Å; V44-Y78 HydrophobicContact CG1-CG 3.95Å; V44-Y78 HydrophobicContact CG2-CD1 4.13Å; V44-Y78 HydrophobicContact CG2-CD2 4.35Å; V44-Y78 HydrophobicContact CG2-CE1 4.34Å; V44-Y78 HydrophobicContact CG2-CG 4.11Å; V44-C222 WeakPolarHBondContact CA-O 3.27Å; V44-I223 HydrophobicContact CG2-CG1 4.23Å
45	T	89.5	Confident	85.3	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.7	-179.3	-59.1	0	0	0	0	110.3	P28 A34 I35 M47 F72 S221 C222 H224	P28-T45 HydrophobicContact CG-CG2 3.97Å; P28-T45 WeakPolarHBondContact CG-OG1 3.34Å; A34-T45 HydrophobicContact CB-CG2 4.26Å; I35-T45 CarbonylContact O-C 3.48Å; I35-T45 WeakPolarHBondContact O-CA 3.15Å; I35-T45 WeakPolarHBondContact O-CG2 3.39Å; T45-M47 HydrophobicContact CG2-CG 4.07Å; T45-M47 HydrophobicContact CG2-SD 3.68Å; T45-F72 HydrophobicContact CG2-CE1 4.3Å; T45-F72 HydrophobicContact CG2-CE2 4.48Å; T45-F72 HydrophobicContact CG2-CZ 3.61Å; T45-S221 WeakPolarHBondContact O-CA 3.14Å; T45-C222 PolarHBondContact N-O 3.43Å; T45-C222 PolarHBondContact O-N 2.94Å; T45-H224 PolarHBondContact OG1-NE2 2.95Å
46	W	88.4	Confident	84.5	Confident	7 Å²	7	65.1 Å²	65.1	3%	0.027	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.6	169.5	-71.7	-87.7	0	0	0	110.1	I35 F37 F86 L91 I108 L195 H219 V220	I35-W46 HydrophobicContact CG2-CB 4.21Å; I35-W46 HydrophobicContact CG2-CE3 3.91Å; I35-W46 PolarHBondContact O-N 3.11Å; F37-W46 AromaticContact CD1-CH2 3.49Å; F37-W46 HydrophobicContact CD1-CH2 3.49Å; F37-W46 VanDerWaalsContact CD1-CH2 3.49Å; F37-W46 AromaticContact CD1-CZ3 3.57Å; F37-W46 HydrophobicContact CD1-CZ3 3.57Å; F37-W46 AromaticContact CE1-CH2 3.42Å; F37-W46 HydrophobicContact CE1-CH2 3.42Å; F37-W46 VanDerWaalsContact CE1-CH2 3.42Å; F37-W46 HydrophobicContact CE1-CZ2 4.19Å; F37-W46 AromaticContact CE1-CZ3 3.94Å; F37-W46 HydrophobicContact CE1-CZ3 3.94Å; W46-F86 HydrophobicContact CH2-CD2 4.08Å; W46-F86 AromaticContact CH2-CE2 3.44Å; W46-F86 HydrophobicContact CH2-CE2 3.44Å; W46-F86 VanDerWaalsContact CH2-CE2 3.44Å; W46-F86 AromaticContact CH2-CZ 3.76Å; W46-F86 HydrophobicContact CH2-CZ 3.76Å; W46-F86 HydrophobicContact CZ3-CE2 4.02Å; W46-F86 HydrophobicContact CZ3-CZ 4.38Å; W46-L91 HydrophobicContact CZ3-CD1 4.14Å; W46-I108 HydrophobicContact CB-CD1 3.98Å; W46-I108 HydrophobicContact CD2-CD1 3.68Å; W46-I108 HydrophobicContact CE3-CD1 4.32Å; W46-I108 HydrophobicContact CG-CD1 3.5Å; W46-I108 VanDerWaalsContact CG-CD1 3.5Å; W46-L195 HydrophobicContact CE3-CD2 4.37Å; W46-L195 HydrophobicContact CH2-CD2 3.67Å; W46-L195 HydrophobicContact CZ2-CD2 4Å; W46-L195 HydrophobicContact CZ3-CD2 3.86Å; W46-H219 HydrophobicContact CB-CB 4Å; W46-V220 WeakPolarHBondContact CA-O 2.87Å
47	M	85.9	Confident	83.6	Confident	53 Å²	53	71.9 Å²	71.9	26%	0.261	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137	-179.3	-65.4	-60.5	-65.9	0	0	110.1	T45 F49 Y67 T71 F72 H219 V220	T45-M47 HydrophobicContact CG2-CG 4.07Å; T45-M47 HydrophobicContact CG2-SD 3.68Å; M47-F49 PolarHBondContact O-N 3.31Å; M47-Y67 HydrophobicContact CB-CE1 3.99Å; M47-Y67 WeakPolarHBondContact CB-OH 3.43Å; M47-T71 HydrophobicContact CE-CG2 3.83Å; M47-T71 HydrophobicContact CG-CG2 3.96Å; M47-T71 HydrophobicContact SD-CG2 4.47Å; M47-F72 HydrophobicContact CG-CE2 3.68Å; M47-F72 HydrophobicContact CG-CZ 3.61Å; M47-F72 HydrophobicContact SD-CZ 3.85Å; M47-H219 CarbonylContact O-C 3.54Å; M47-H219 WeakPolarHBondContact O-CA 3.2Å; M47-H219 WeakPolarHBondContact O-CB 3.48Å; M47-V220 PolarHBondContact N-O 2.83Å; M47-V220 PolarHBondContact O-N 3.05Å
48	L	84.9	Confident	83.2	Confident	71 Å²	71	73.5 Å²	73.5	37%	0.372	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	120.7	176.7	-178.7	68.1	0	0	0	108.7	Y67 T101	L48-Y67 PolarHBondContact O-OH 3.26Å; L48-T101 HydrophobicContact CD2-CG2 3.94Å
49	F	86.4	Confident	83.1	Confident	7 Å²	7	74.9 Å²	74.9	3%	0.031	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-89.5	128.1	179.5	-168.9	-94.1	0	0	0	109.9	M47 I52 L63 L64 Y67 I213 H218 V220	M47-F49 PolarHBondContact O-N 3.31Å; F49-I52 HydrophobicContact CE1-CG1 4.24Å; F49-I52 HydrophobicContact CZ-CD1 4.4Å; F49-I52 HydrophobicContact CZ-CG1 4.37Å; F49-L63 HydrophobicContact CZ-CD1 4.33Å; F49-L63 HydrophobicContact CZ-CD2 3.91Å; F49-L63 HydrophobicContact CZ-CG 4.15Å; F49-L64 HydrophobicContact CD2-CD2 4.47Å; F49-L64 HydrophobicContact CE2-CD2 4.14Å; F49-Y67 HydrophobicContact CD2-CD1 4.08Å; F49-Y67 AromaticContact CD2-CD2 3.67Å; F49-Y67 HydrophobicContact CD2-CD2 3.67Å; F49-Y67 HydrophobicContact CD2-CE1 4.09Å; F49-Y67 AromaticContact CD2-CE2 3.68Å; F49-Y67 HydrophobicContact CD2-CE2 3.68Å; F49-Y67 AromaticContact CD2-CG 3.88Å; F49-Y67 HydrophobicContact CD2-CG 3.88Å; F49-Y67 AromaticContact CD2-CZ 3.9Å; F49-Y67 HydrophobicContact CE2-CD1 4.37Å; F49-Y67 AromaticContact CE2-CD2 3.62Å; F49-Y67 HydrophobicContact CE2-CD2 3.62Å; F49-Y67 HydrophobicContact CE2-CE2 4.09Å; F49-Y67 AromaticContact CE2-CG 3.78Å; F49-Y67 HydrophobicContact CE2-CG 3.78Å; F49-I213 HydrophobicContact CE1-CB 4.24Å; F49-H218 WeakPolarHBondContact CB-NE2 3.49Å; F49-H218 AromaticContact CD1-CE1 3.45Å; F49-H218 VanDerWaalsContact CD1-CE1 3.45Å; F49-H218 WeakPolarHBondContact CD1-CE1 3.48Å; F49-H218 AromaticContact CD1-NE2 3.12Å; F49-H218 WeakPolarHBondContact CD1-NE2 3.35Å; F49-H218 AromaticContact CG-NE2 3.45Å; F49-H218 WeakPolarHBondContact CG-NE2 3.26Å; F49-H218 PolarHBondContact N-O 2.79Å; F49-V220 HydrophobicContact CB-CG2 3.87Å; F49-V220 HydrophobicContact CD2-CG2 3.5Å; F49-V220 VanDerWaalsContact CD2-CG2 3.5Å; F49-V220 HydrophobicContact CE2-CG2 4.3Å; F49-V220 HydrophobicContact CG-CG2 3.88Å
50	E	84.7	Confident	83.1	Confident	161 Å²	161	72.2 Å²	72.2	75%	0.752	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-77.9	128.5	173.6	-67.4	-169.9	166.9	0	0	109.2
51	P	85.5	Confident	83	Confident	32 Å²	32	63.3 Å²	63.3	21%	0.208	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-63.4	140.7	-176.3	27	-34.9	0	0	0	111.2	H53 I213 T216	P51-H53 PolarHBondContact O-N 3.21Å; P51-I213 WeakPolarHBondContact CA-O 3.43Å; P51-T216 HydrophobicContact CG-CG2 4.2Å
52	I	85.4	Confident	83	Confident	49 Å²	49	61.6 Å²	61.6	25%	0.251	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-81.3	119.8	172.9	-60.5	-172.7	0	0	0	109.2	F49 L63 I213	F49-I52 HydrophobicContact CE1-CG1 4.24Å; F49-I52 HydrophobicContact CZ-CD1 4.4Å; F49-I52 HydrophobicContact CZ-CG1 4.37Å; I52-L63 HydrophobicContact CD1-CD1 3.53Å; I52-L63 HydrophobicContact CD1-CD2 3.29Å; I52-L63 HydrophobicContact CD1-CG 4.01Å; I52-L63 HydrophobicContact CG1-CD2 4.46Å; I52-I213 HydrophobicContact CD1-CD1 4.35Å; I52-I213 PolarHBondContact N-O 3.48Å
53	H	79.3	Confident	83	Confident	167 Å²	167	60.3 Å²	60.3	77%	0.773	33%	0.328	S	S	*	.			trans	-93.8	111.2	174	-62.7	-63.2	0	0	0	109.9	P51	P51-H53 PolarHBondContact O-N 3.21Å
54	G	72.5	Confident	82.9	Confident	37 Å²	37	60.3 Å²	60.3	38%	0.381	33%	0.329	S	S	.	.	S	Bend	trans	154.7	150.8	174.1	0	0	0	0	0	113.4	V56 R214	G54-V56 PolarHBondContact O-N 3.06Å; G54-V56 VanDerWaalsContact O-N 3.11Å; G54-R214 PolarHBondContact O-NE 2.85Å
55	D	67.3	Low	82.8	Confident	173 Å²	173	63 Å²	63	93%	0.925	34%	0.343	S	S	*	.	S	Bend	trans	-86.5	56.5	175	-65	-26.3	0	0	0	110.5
56	V	67.5	Low	82.8	Confident	96 Å²	96	66.4 Å²	66.4	58%	0.582	37%	0.367	S	S	*	.			trans	-113.8	125.5	173	-176	0	0	0	0	107.3	G54 V58 R214	G54-V56 PolarHBondContact O-N 3.06Å; G54-V56 VanDerWaalsContact O-N 3.11Å; V56-V58 HydrophobicContact CB-CG2 4.5Å; V56-V58 HydrophobicContact CG1-CG2 4.48Å; V56-V58 WeakPolarHBondContact O-CG2 3.12Å; V56-V58 PolarHBondContact O-N 3.01Å; V56-V58 VanDerWaalsContact O-N 3.14Å; V56-R214 PolarHBondContact O-NH2 3.15Å
57	D	71.7	Confident	82.8	Confident	142 Å²	142	68.3 Å²	68.3	76%	0.759	37%	0.374	S	S	*	.			trans	-66.1	110.4	166.2	-80.4	-28.9	0	0	0	107.9
58	V	80.1	Confident	82.9	Confident	34 Å²	34	65.8 Å²	65.8	21%	0.206	36%	0.362	C	S	.	.			trans	-96.9	136.7	-179.1	-174.8	0	0	0	0	108.1	V56 V60 L63 N210 I213	V56-V58 HydrophobicContact CB-CG2 4.5Å; V56-V58 HydrophobicContact CG1-CG2 4.48Å; V56-V58 WeakPolarHBondContact O-CG2 3.12Å; V56-V58 PolarHBondContact O-N 3.01Å; V56-V58 VanDerWaalsContact O-N 3.14Å; V58-V60 PolarHBondContact O-N 3.16Å; V58-L63 HydrophobicContact CG1-CB 3.8Å; V58-L63 HydrophobicContact CG1-CD2 3.96Å; V58-L63 HydrophobicContact CG1-CG 4.35Å; V58-N210 PolarHBondContact N-OD1 2.96Å; V58-N210 PolarHBondContact O-OD1 3.45Å; V58-I213 HydrophobicContact CB-CD1 3.93Å; V58-I213 HydrophobicContact CG2-CD1 4.25Å
59	D	86.7	Confident	83.1	Confident	94 Å²	94	67.5 Å²	67.5	50%	0.503	37%	0.369	S	S	.	.			trans	-67.3	99.9	162.7	179.2	9.1	0	0	0	108.6	D61 S62 L63	D59-D61 VanDerWaalsContact C-N 3.26Å; D59-D61 PolarHBondContact O-N 2.76Å; D59-D61 PolarHBondContact OD1-N 2.92Å; D59-S62 PolarHBondContact O-N 3.2Å; D59-S62 WeakPolarHBondContact OD2-CB 3.11Å; D59-S62 PolarHBondContact OD2-OG 2.85Å; D59-L63 WeakPolarHBondContact O-CB 3.45Å; D59-L63 PolarHBondContact O-N 3.34Å
60	V	85.6	Confident	83.1	Confident	9 Å²	9	70.4 Å²	70.4	6%	0.055	40%	0.395	C	S	.	.	H	α-helix	trans	-62.1	-34.9	-172.5	177.1	0	0	0	0	111.5	V58 L63 L64 F115 C209 I213	V58-V60 PolarHBondContact O-N 3.16Å; V60-L63 PolarHBondContact O-N 2.96Å; V60-L64 HydrophobicContact CG1-CD1 3.63Å; V60-L64 HydrophobicContact CG1-CG 4.14Å; V60-L64 WeakPolarHBondContact O-CB 3.4Å; V60-L64 WeakPolarHBondContact O-CG 3.09Å; V60-L64 PolarHBondContact O-N 2.92Å; V60-F115 HydrophobicContact CG1-CE2 4.48Å; V60-F115 HydrophobicContact CG1-CZ 4.26Å; V60-C209 HydrophobicContact CB-CB 4.23Å; V60-C209 HydrophobicContact CG1-CB 4.06Å; V60-C209 HydrophobicContact CG2-CB 3.86Å; V60-I213 HydrophobicContact CG1-CG2 4.02Å; V60-I213 HydrophobicContact CG2-CD1 4.2Å; V60-I213 HydrophobicContact CG2-CG2 4.4Å
61	D	84.7	Confident	83.1	Confident	38 Å²	38	64 Å²	64	20%	0.203	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-58.6	175.2	169.6	27.1	0	0	0	110.5	D59 L63 L64 N65 H113 Y140	D59-D61 VanDerWaalsContact C-N 3.26Å; D59-D61 PolarHBondContact O-N 2.76Å; D59-D61 PolarHBondContact OD1-N 2.92Å; D61-L63 PolarHBondContact O-N 3.31Å; D61-L63 VanDerWaalsContact O-N 3.14Å; D61-L64 PolarHBondContact O-N 2.93Å; D61-N65 WeakPolarHBondContact O-CB 3.45Å; D61-N65 PolarHBondContact O-N 3.32Å; D61-H113 IonicContact OD1-CE1 3.01Å; D61-H113 PolarHBondContact OD1-CE1 3.38Å; D61-H113 IonicContact OD1-NE2 2.71Å; D61-H113 PolarHBondContact OD1-NE2 3.01Å; D61-Y140 HydrophobicContact CB-CE2 4.48Å; D61-Y140 VanDerWaalsContact CG-CZ 3.43Å; D61-Y140 PolarHBondContact OD1-OH 3.33Å; D61-Y140 WeakPolarHBondContact OD2-CE2 3.32Å; D61-Y140 VanDerWaalsContact OD2-CZ 3.24Å; D61-Y140 PolarHBondContact OD2-OH 3.03Å
62	S	87.4	Confident	83.1	Confident	58 Å²	58	64.1 Å²	64.1	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-53.9	-39.3	178.4	-71.8	0	0	0	0	112.6	D59 S66	D59-S62 PolarHBondContact O-N 3.2Å; D59-S62 WeakPolarHBondContact OD2-CB 3.11Å; D59-S62 PolarHBondContact OD2-OG 2.85Å; S62-S66 VanDerWaalsContact O-CB 3.32Å; S62-S66 WeakPolarHBondContact O-CB 3.07Å; S62-S66 PolarHBondContact O-N 3.4Å; S62-S66 PolarHBondContact O-OG 3.25Å
63	L	89.1	Confident	82.8	Confident	36 Å²	36	69 Å²	69	19%	0.188	39%	0.39	C	S	.	.	H	α-helix	trans	-63.8	-51.4	176.3	171.1	66.5	0	0	0	112.3	F49 I52 V58 D59 V60 D61 S66 Y67 I213	F49-L63 HydrophobicContact CZ-CD1 4.33Å; F49-L63 HydrophobicContact CZ-CD2 3.91Å; F49-L63 HydrophobicContact CZ-CG 4.15Å; I52-L63 HydrophobicContact CD1-CD1 3.53Å; I52-L63 HydrophobicContact CD1-CD2 3.29Å; I52-L63 HydrophobicContact CD1-CG 4.01Å; I52-L63 HydrophobicContact CG1-CD2 4.46Å; V58-L63 HydrophobicContact CG1-CB 3.8Å; V58-L63 HydrophobicContact CG1-CD2 3.96Å; V58-L63 HydrophobicContact CG1-CG 4.35Å; D59-L63 WeakPolarHBondContact O-CB 3.45Å; D59-L63 PolarHBondContact O-N 3.34Å; V60-L63 PolarHBondContact O-N 2.96Å; D61-L63 PolarHBondContact O-N 3.31Å; D61-L63 VanDerWaalsContact O-N 3.14Å; L63-S66 PolarHBondContact O-N 3.46Å; L63-Y67 WeakPolarHBondContact O-CB 3.07Å; L63-Y67 PolarHBondContact O-N 2.85Å; L63-I213 HydrophobicContact CD2-CB 4.18Å; L63-I213 HydrophobicContact CD2-CD1 3.84Å; L63-I213 HydrophobicContact CD2-CG2 3.92Å
64	L	88.4	Confident	82.8	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-69.5	-36.7	-176.3	-68.5	173.4	0	0	0	111.6	F49 V60 D61 Y67 C68 P77 F115 V220	F49-L64 HydrophobicContact CD2-CD2 4.47Å; F49-L64 HydrophobicContact CE2-CD2 4.14Å; V60-L64 HydrophobicContact CG1-CD1 3.63Å; V60-L64 HydrophobicContact CG1-CG 4.14Å; V60-L64 WeakPolarHBondContact O-CB 3.4Å; V60-L64 WeakPolarHBondContact O-CG 3.09Å; V60-L64 PolarHBondContact O-N 2.92Å; D61-L64 PolarHBondContact O-N 2.93Å; L64-Y67 PolarHBondContact O-N 3.02Å; L64-C68 PolarHBondContact O-N 2.89Å; L64-P77 HydrophobicContact CB-CG 4.33Å; L64-F115 HydrophobicContact CD1-CE1 4.23Å; L64-F115 HydrophobicContact CD1-CE2 4.31Å; L64-F115 HydrophobicContact CD1-CZ 3.45Å; L64-F115 VanDerWaalsContact CD1-CZ 3.45Å; L64-V220 HydrophobicContact CD2-CB 4.37Å; L64-V220 HydrophobicContact CD2-CG1 3.97Å; L64-V220 HydrophobicContact CD2-CG2 3.4Å; L64-V220 VanDerWaalsContact CD2-CG2 3.4Å
65	N	88.6	Confident	83.5	Confident	56 Å²	56	65.1 Å²	65.1	30%	0.299	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-48.3	171.3	-172.6	53.7	0	0	0	111.2	D61 Y67 C68 M69 P77	D61-N65 WeakPolarHBondContact O-CB 3.45Å; D61-N65 PolarHBondContact O-N 3.32Å; N65-Y67 VanDerWaalsContact C-N 3.3Å; N65-Y67 PolarHBondContact O-N 3.27Å; N65-C68 PolarHBondContact O-N 2.9Å; N65-M69 WeakPolarHBondContact O-CB 3.22Å; N65-M69 WeakPolarHBondContact O-CG 3.41Å; N65-M69 PolarHBondContact O-N 3.05Å; N65-P77 HydrophobicContact CB-CG 4.22Å
66	S	88.6	Confident	84.5	Confident	73 Å²	73	60.4 Å²	60.4	51%	0.51	34%	0.34	S	S	.	.	H	α-helix	trans	-60.3	-40.4	176.1	-60	0	0	0	0	112.1	S62 L63 A70	S62-S66 VanDerWaalsContact O-CB 3.32Å; S62-S66 WeakPolarHBondContact O-CB 3.07Å; S62-S66 PolarHBondContact O-N 3.4Å; S62-S66 PolarHBondContact O-OG 3.25Å; L63-S66 PolarHBondContact O-N 3.46Å; S66-A70 VanDerWaalsContact O-CB 3.24Å; S66-A70 WeakPolarHBondContact O-CB 3.43Å; S66-A70 PolarHBondContact O-N 3.1Å
67	Y	88.8	Confident	85.5	Confident	48 Å²	48	56.1 Å²	56.1	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-47.7	177.6	179.2	-93.7	0	0	0	111.9	M47 L48 F49 L63 L64 N65 A70 T71 V220	M47-Y67 HydrophobicContact CB-CE1 3.99Å; M47-Y67 WeakPolarHBondContact CB-OH 3.43Å; L48-Y67 PolarHBondContact O-OH 3.26Å; F49-Y67 HydrophobicContact CD2-CD1 4.08Å; F49-Y67 AromaticContact CD2-CD2 3.67Å; F49-Y67 HydrophobicContact CD2-CD2 3.67Å; F49-Y67 HydrophobicContact CD2-CE1 4.09Å; F49-Y67 AromaticContact CD2-CE2 3.68Å; F49-Y67 HydrophobicContact CD2-CE2 3.68Å; F49-Y67 AromaticContact CD2-CG 3.88Å; F49-Y67 HydrophobicContact CD2-CG 3.88Å; F49-Y67 AromaticContact CD2-CZ 3.9Å; F49-Y67 HydrophobicContact CE2-CD1 4.37Å; F49-Y67 AromaticContact CE2-CD2 3.62Å; F49-Y67 HydrophobicContact CE2-CD2 3.62Å; F49-Y67 HydrophobicContact CE2-CE2 4.09Å; F49-Y67 AromaticContact CE2-CG 3.78Å; F49-Y67 HydrophobicContact CE2-CG 3.78Å; L63-Y67 WeakPolarHBondContact O-CB 3.07Å; L63-Y67 PolarHBondContact O-N 2.85Å; L64-Y67 PolarHBondContact O-N 3.02Å; N65-Y67 VanDerWaalsContact C-N 3.3Å; N65-Y67 PolarHBondContact O-N 3.27Å; Y67-A70 PolarHBondContact O-N 3.24Å; Y67-T71 WeakPolarHBondContact O-CB 3.49Å; Y67-T71 PolarHBondContact O-N 2.77Å; Y67-T71 PolarHBondContact O-OG1 3.32Å; Y67-V220 HydrophobicContact CD1-CB 4.11Å; Y67-V220 HydrophobicContact CD1-CG1 4.07Å; Y67-V220 HydrophobicContact CD1-CG2 4.4Å; Y67-V220 HydrophobicContact CE1-CB 3.94Å; Y67-V220 HydrophobicContact CE1-CG1 4.32Å; Y67-V220 HydrophobicContact CE1-CG2 4.39Å
68	C	88.7	Confident	86.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-41.7	178.5	-72.1	0	0	0	0	112.3	L64 N65 A70 T71 F72 P77 C222	L64-C68 PolarHBondContact O-N 2.89Å; N65-C68 PolarHBondContact O-N 2.9Å; C68-A70 VanDerWaalsContact C-N 3.34Å; C68-A70 PolarHBondContact O-N 2.7Å; C68-T71 PolarHBondContact O-N 2.72Å; C68-F72 PolarHBondContact O-N 3.47Å; C68-P77 HydrophobicContact CB-CG 4.41Å; C68-C222 WeakPolarHBondContact CA-SG 3.33Å; C68-C222 HydrophobicContact CB-CB 3.73Å; C68-C222 WeakPolarHBondContact CB-SG 3.09Å; C68-C222 WeakPolarHBondContact SG-CB 3.08Å; C68-C222 CovalentContact SG-SG 2.05Å; C68-C222 PolarHBondContact SG-SG 3.44Å
69	M	88.3	Confident	86.4	Confident	106 Å²	106	48.5 Å²	48.5	52%	0.522	27%	0.274	S	S	.	.	H	α-helix	trans	-65.2	-35.2	176.3	-72.3	-176.9	68.8	0	0	113.1	N65 F72 G75	N65-M69 WeakPolarHBondContact O-CB 3.22Å; N65-M69 WeakPolarHBondContact O-CG 3.41Å; N65-M69 PolarHBondContact O-N 3.05Å; M69-F72 CarbonylContact C-O 3.28Å; M69-G75 VanDerWaalsContact CG-O 3.23Å; M69-G75 WeakPolarHBondContact CG-O 3.47Å; M69-G75 PolarHBondContact N-O 3.35Å
70	A	86	Confident	86	Confident	69 Å²	69	44.4 Å²	44.4	57%	0.57	25%	0.252	S	S	*	.	H	α-helix	trans	-73.9	-31.3	176.3	0	0	0	0	0	112.3	S66 Y67 C68	S66-A70 VanDerWaalsContact O-CB 3.24Å; S66-A70 WeakPolarHBondContact O-CB 3.43Å; S66-A70 PolarHBondContact O-N 3.1Å; Y67-A70 PolarHBondContact O-N 3.24Å; C68-A70 VanDerWaalsContact C-N 3.34Å; C68-A70 PolarHBondContact O-N 2.7Å
71	T	85.1	Confident	85.3	Confident	27 Å²	27	46.1 Å²	46.1	17%	0.166	26%	0.26	C	S	.	.	H	α-helix	trans	-83.9	-37.9	-177.5	-53.5	0	0	0	0	112.3	M47 Y67 C68	M47-T71 HydrophobicContact CE-CG2 3.83Å; M47-T71 HydrophobicContact CG-CG2 3.96Å; M47-T71 HydrophobicContact SD-CG2 4.47Å; Y67-T71 WeakPolarHBondContact O-CB 3.49Å; Y67-T71 PolarHBondContact O-N 2.77Å; Y67-T71 PolarHBondContact O-OG1 3.32Å; C68-T71 PolarHBondContact O-N 2.72Å
72	F	85.8	Confident	84.6	Confident	34 Å²	34	46.5 Å²	46.5	15%	0.149	26%	0.263	C	S	.	.	S	Bend	trans	-130.2	135.1	180	-54.3	-77.8	0	0	0	110	T45 M47 C68 M69 N74 G75 C222 H224	T45-F72 HydrophobicContact CG2-CE1 4.3Å; T45-F72 HydrophobicContact CG2-CE2 4.48Å; T45-F72 HydrophobicContact CG2-CZ 3.61Å; M47-F72 HydrophobicContact CG-CE2 3.68Å; M47-F72 HydrophobicContact CG-CZ 3.61Å; M47-F72 HydrophobicContact SD-CZ 3.85Å; C68-F72 PolarHBondContact O-N 3.47Å; M69-F72 CarbonylContact C-O 3.28Å; F72-N74 PolarHBondContact O-N 2.05Å; F72-N74 VanDerWaalsContact O-N 3.1Å; F72-G75 WeakPolarHBondContact O-CA 3.42Å; F72-G75 PolarHBondContact O-N 2.94Å; F72-C222 HydrophobicContact CD2-CB 3.69Å; F72-C222 HydrophobicContact CE2-CB 3.72Å; F72-H224 HydrophobicContact CB-CB 3.44Å; F72-H224 VanDerWaalsContact CB-CB 3.44Å; F72-H224 HydrophobicContact CD1-CB 4.19Å; F72-H224 AromaticContact CD1-CD2 3.51Å; F72-H224 AromaticContact CD1-CE1 3.81Å; F72-H224 AromaticContact CD1-CG 3.58Å; F72-H224 AromaticContact CD1-ND1 3.77Å; F72-H224 AromaticContact CD1-NE2 3.68Å; F72-H224 HydrophobicContact CD2-CB 4.37Å; F72-H224 AromaticContact CD2-CD2 3.83Å; F72-H224 AromaticContact CE1-CD2 3.69Å; F72-H224 AromaticContact CE1-CE1 3.9Å; F72-H224 AromaticContact CE1-NE2 3.5Å; F72-H224 AromaticContact CE2-CD2 3.99Å; F72-H224 HydrophobicContact CG-CB 3.76Å; F72-H224 AromaticContact CG-CD2 3.59Å; F72-H224 AromaticContact CG-CG 3.6Å; F72-H224 AromaticContact CZ-CD2 3.94Å; F72-H224 AromaticContact CZ-NE2 3.92Å
73	L	78.6	Confident	83.9	Confident	151 Å²	151	48.5 Å²	48.5	79%	0.791	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	118.3	176.3	-173.6	68.7	0	0	0	109.7	G75	L73-G75 PolarHBondContact O-N 3.14Å
74	N	80.3	Confident	83	Confident	122 Å²	122	52.2 Å²	52.2	65%	0.652	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	25.6	-171.5	-48.1	-49	0	0	0	113.9	F72	F72-N74 PolarHBondContact O-N 2.05Å; F72-N74 VanDerWaalsContact O-N 3.1Å
75	G	86.7	Confident	82.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.			trans	-66.2	138.2	173.6	0	0	0	0	0	111	M69 F72 L73 I223	M69-G75 VanDerWaalsContact CG-O 3.23Å; M69-G75 WeakPolarHBondContact CG-O 3.47Å; M69-G75 PolarHBondContact N-O 3.35Å; F72-G75 WeakPolarHBondContact O-CA 3.42Å; F72-G75 PolarHBondContact O-N 2.94Å; L73-G75 PolarHBondContact O-N 3.14Å; G75-I223 CarbonylContact C-O 3.59Å; G75-I223 VanDerWaalsContact CA-O 3.26Å; G75-I223 WeakPolarHBondContact CA-O 3.14Å
76	I	88.8	Confident	81.9	Confident	75 Å²	75	52.9 Å²	52.9	39%	0.385	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	154.9	173.5	62.8	174.3	0	0	0	109.6	Y78 C222 I223	I76-Y78 PolarHBondContact O-N 2.97Å; I76-C222 CarbonylContact O-C 3.54Å; I76-C222 VanDerWaalsContact O-CA 3.3Å; I76-C222 WeakPolarHBondContact O-CA 3.07Å; I76-I223 HydrophobicContact CD1-CD1 4.23Å; I76-I223 HydrophobicContact CG1-CB 3.91Å; I76-I223 HydrophobicContact CG1-CD1 4.28Å; I76-I223 HydrophobicContact CG1-CG1 4.45Å; I76-I223 PolarHBondContact N-O 3.32Å; I76-I223 PolarHBondContact O-N 2.92Å
77	P	87.2	Confident	81.6	Confident	5 Å²	5	52 Å²	52	3%	0.032	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135	175.2	-25.2	37.6	0	0	0	112.1	L64 N65 C68 H113	L64-P77 HydrophobicContact CB-CG 4.33Å; N65-P77 HydrophobicContact CB-CG 4.22Å; C68-P77 HydrophobicContact CB-CG 4.41Å; P77-H113 HydrophobicContact CB-CB 3.43Å; P77-H113 VanDerWaalsContact CB-CB 3.43Å; P77-H113 WeakPolarHBondContact CB-ND1 3.43Å
78	Y	88.2	Confident	81.3	Confident	6 Å²	6	53.4 Å²	53.4	2%	0.024	30%	0.295	C	S	.	.			trans	-86.5	120.8	174.5	177.3	-135.6	0	0	0	110.2	F37 V44 I76 F80 D84 G112 H113 E142 S221 I223	F37-Y78 HydrophobicContact CE1-CE1 4.31Å; F37-Y78 AromaticContact CZ-CE1 3.99Å; F37-Y78 HydrophobicContact CZ-CE1 3.99Å; V44-Y78 HydrophobicContact CB-CD1 4.41Å; V44-Y78 HydrophobicContact CG1-CD1 3.41Å; V44-Y78 VanDerWaalsContact CG1-CD1 3.41Å; V44-Y78 HydrophobicContact CG1-CE1 3.96Å; V44-Y78 HydrophobicContact CG1-CG 3.95Å; V44-Y78 HydrophobicContact CG2-CD1 4.13Å; V44-Y78 HydrophobicContact CG2-CD2 4.35Å; V44-Y78 HydrophobicContact CG2-CE1 4.34Å; V44-Y78 HydrophobicContact CG2-CG 4.11Å; I76-Y78 PolarHBondContact O-N 2.97Å; Y78-F80 HydrophobicContact CD1-CB 4.28Å; Y78-F80 AromaticContact CD1-CD1 3.47Å; Y78-F80 HydrophobicContact CD1-CD1 3.47Å; Y78-F80 VanDerWaalsContact CD1-CD1 3.47Å; Y78-F80 HydrophobicContact CD1-CE1 4.3Å; Y78-F80 HydrophobicContact CD1-CG 4.28Å; Y78-F80 HydrophobicContact CE1-CB 3.7Å; Y78-F80 AromaticContact CE1-CD1 3.6Å; Y78-F80 HydrophobicContact CE1-CD1 3.6Å; Y78-F80 AromaticContact CE1-CG 3.97Å; Y78-F80 HydrophobicContact CE1-CG 3.97Å; Y78-F80 HydrophobicContact CG-CD1 4.35Å; Y78-D84 PolarHBondContact OH-O 2.73Å; Y78-G112 CarbonylContact O-C 3.58Å; Y78-G112 WeakPolarHBondContact O-CA 3.3Å; Y78-H113 PolarHBondContact O-N 2.02Å; Y78-E142 VanDerWaalsContact CD2-OE1 3.25Å; Y78-E142 WeakPolarHBondContact CD2-OE1 3.33Å; Y78-S221 PolarHBondContact N-O 3.19Å; Y78-S221 PolarHBondContact O-OG 3.01Å; Y78-S221 VanDerWaalsContact O-OG 3.11Å; Y78-I223 HydrophobicContact CD2-CD1 3.8Å; Y78-I223 HydrophobicContact CD2-CG1 3.78Å; Y78-I223 HydrophobicContact CG-CD1 4.46Å; Y78-I223 HydrophobicContact CG-CG1 3.98Å
79	G	83.7	Confident	81.1	Confident	11 Å²	11	58.5 Å²	58.5	11%	0.113	33%	0.331	C	S	.	.			trans	-91.5	115.7	175.3	0	0	0	0	0	110.5	E142	G79-E142 VanDerWaalsContact N-CG 3.28Å; G79-E142 PolarHBondContact N-OE1 3.07Å
80	F	76.8	Confident	81.1	Confident	7 Å²	7	55.1 Å²	55.1	3%	0.031	32%	0.316	C	S	.	.			trans	-132.4	135.9	173.2	66.2	-92.9	0	0	0	110.7	Y78 Y114 C193 F201 S221	Y78-F80 HydrophobicContact CD1-CB 4.28Å; Y78-F80 AromaticContact CD1-CD1 3.47Å; Y78-F80 HydrophobicContact CD1-CD1 3.47Å; Y78-F80 VanDerWaalsContact CD1-CD1 3.47Å; Y78-F80 HydrophobicContact CD1-CE1 4.3Å; Y78-F80 HydrophobicContact CD1-CG 4.28Å; Y78-F80 HydrophobicContact CE1-CB 3.7Å; Y78-F80 AromaticContact CE1-CD1 3.6Å; Y78-F80 HydrophobicContact CE1-CD1 3.6Å; Y78-F80 AromaticContact CE1-CG 3.97Å; Y78-F80 HydrophobicContact CE1-CG 3.97Å; Y78-F80 HydrophobicContact CG-CD1 4.35Å; F80-Y114 WeakPolarHBondContact O-CB 3.41Å; F80-C193 HydrophobicContact CE2-CB 3.79Å; F80-C193 WeakPolarHBondContact CE2-SG 3.32Å; F80-C193 HydrophobicContact CZ-CB 4.36Å; F80-C193 WeakPolarHBondContact CZ-SG 3.3Å; F80-F201 AromaticContact CD2-CE2 3.58Å; F80-F201 HydrophobicContact CD2-CE2 3.58Å; F80-F201 AromaticContact CD2-CZ 3.62Å; F80-F201 HydrophobicContact CD2-CZ 3.62Å; F80-F201 AromaticContact CE2-CE2 3.43Å; F80-F201 HydrophobicContact CE2-CE2 3.43Å; F80-F201 VanDerWaalsContact CE2-CE2 3.43Å; F80-F201 AromaticContact CE2-CZ 3.62Å; F80-F201 HydrophobicContact CE2-CZ 3.62Å; F80-F201 HydrophobicContact CZ-CE2 4.35Å; F80-S221 VanDerWaalsContact CE1-OG 3.24Å; F80-S221 WeakPolarHBondContact CE1-OG 3.45Å
81	I	72.1	Confident	81.2	Confident	45 Å²	45	53.3 Å²	53.3	23%	0.231	30%	0.297	C	S	.	.	S	Bend	trans	-91.8	-35.2	176.5	-68.7	174.5	0	0	0	109.8	Y114 W167 I171 H191	I81-Y114 HydrophobicContact CD1-CD2 3.74Å; I81-Y114 HydrophobicContact CD1-CE2 3.42Å; I81-Y114 VanDerWaalsContact CD1-CE2 3.42Å; I81-Y114 HydrophobicContact CG1-CD1 4.13Å; I81-Y114 HydrophobicContact CG1-CD2 3.18Å; I81-Y114 HydrophobicContact CG1-CE1 4.26Å; I81-Y114 HydrophobicContact CG1-CE2 3.35Å; I81-Y114 HydrophobicContact CG1-CG 3.64Å; I81-W167 HydrophobicContact CD1-CE3 4.41Å; I81-W167 HydrophobicContact CG2-CE3 3.67Å; I81-W167 HydrophobicContact CG2-CZ3 4.22Å; I81-I171 HydrophobicContact CG2-CD1 3.11Å; I81-I171 HydrophobicContact CG2-CG1 4.43Å; I81-H191 PolarHBondContact O-CE1 3.32Å; I81-H191 PolarHBondContact O-NE2 3.37Å
82	N	69.2	Low	81.3	Confident	47 Å²	47	55.7 Å²	55.7	25%	0.251	30%	0.303	S	S	.	.	S	Bend	trans	-153.5	-147.3	-171.6	59.7	10.2	0	0	0	108.9	D84 F201	N82-D84 VanDerWaalsContact CG-CG 3.44Å; N82-D84 VanDerWaalsContact ND2-CG 3.27Å; N82-D84 PolarHBondContact ND2-OD1 3.02Å; N82-D84 PolarHBondContact ND2-OD2 2.86Å; N82-D84 PolarHBondContact O-N 2.97Å; N82-D84 WeakPolarHBondContact OD1-CA 3.5Å; N82-D84 WeakPolarHBondContact OD1-CB 3.23Å; N82-D84 PolarHBondContact OD1-N 3.49Å; N82-D84 PolarHBondContact OD1-OD1 3.32Å; N82-D84 PolarHBondContact OD1-OD2 3.29Å; N82-F201 VanDerWaalsContact C-CE1 3.45Å; N82-F201 VanDerWaalsContact C-CZ 3.44Å; N82-F201 VanDerWaalsContact CA-CE1 3.48Å; N82-F201 VanDerWaalsContact O-CZ 3.29Å; N82-F201 WeakPolarHBondContact O-CZ 3.31Å
83	R	73.1	Confident	81.2	Confident	99 Å²	99	54.9 Å²	54.9	37%	0.374	30%	0.3	S	S	.	.	S	Bend	trans	-76.6	4.5	173.3	-65.9	-172.6	-169.7	-159.2	2.2	114.2	G85 F86 G199 D200 F201	R83-G85 PolarHBondContact O-N 3.14Å; R83-F86 WeakPolarHBondContact O-CB 3.26Å; R83-F86 PolarHBondContact O-N 2.92Å; R83-G199 PolarHBondContact NH1-O 2.75Å; R83-D200 VanDerWaalsContact NH2-CA 3.34Å; R83-F201 HydrophobicContact CG-CB 3.56Å; R83-F201 HydrophobicContact CG-CD1 3.63Å; R83-F201 HydrophobicContact CG-CG 3.67Å; R83-F201 PolarHBondContact NE-O 3.49Å; R83-F201 VanDerWaalsContact NE-O 3.12Å; R83-F201 PolarHBondContact NH2-O 2.74Å
84	D	70.7	Confident	81.1	Confident	114 Å²	114	50.4 Å²	50.4	61%	0.61	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	126.2	-173.1	-68.5	-18.4	0	0	0	110.9	Y78 N82 F86	Y78-D84 PolarHBondContact OH-O 2.73Å; N82-D84 VanDerWaalsContact CG-CG 3.44Å; N82-D84 VanDerWaalsContact ND2-CG 3.27Å; N82-D84 PolarHBondContact ND2-OD1 3.02Å; N82-D84 PolarHBondContact ND2-OD2 2.86Å; N82-D84 PolarHBondContact O-N 2.97Å; N82-D84 WeakPolarHBondContact OD1-CA 3.5Å; N82-D84 WeakPolarHBondContact OD1-CB 3.23Å; N82-D84 PolarHBondContact OD1-N 3.49Å; N82-D84 PolarHBondContact OD1-OD1 3.32Å; N82-D84 PolarHBondContact OD1-OD2 3.29Å; D84-F86 PolarHBondContact O-N 3.37Å
85	G	72.5	Confident	80.7	Confident	50 Å²	50	47.4 Å²	47.4	52%	0.515	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-1.8	-174.1	0	0	0	0	0	114.4	F37 R83 D87	F37-G85 VanDerWaalsContact CE2-O 3.25Å; F37-G85 WeakPolarHBondContact CE2-O 3.35Å; R83-G85 PolarHBondContact O-N 3.14Å; G85-D87 PolarHBondContact O-N 3.31Å
86	F	79.8	Confident	79.9	Confident	22 Å²	22	54 Å²	54	10%	0.096	29%	0.292	C	S	.	.			trans	-80	108	178.6	-168.7	-155.9	0	0	0	111.2	F37 W46 R83 D84 I88 L91 L195 F201	F37-F86 HydrophobicContact CB-CD2 4.43Å; F37-F86 HydrophobicContact CB-CE2 4.13Å; F37-F86 AromaticContact CD1-CD2 3.32Å; F37-F86 HydrophobicContact CD1-CD2 3.32Å; F37-F86 AromaticContact CD1-CE2 3.26Å; F37-F86 HydrophobicContact CD1-CE2 3.26Å; F37-F86 AromaticContact CD2-CD2 3.97Å; F37-F86 HydrophobicContact CD2-CD2 3.97Å; F37-F86 HydrophobicContact CD2-CE2 4.47Å; F37-F86 AromaticContact CE1-CD2 3.27Å; F37-F86 HydrophobicContact CE1-CD2 3.27Å; F37-F86 AromaticContact CE1-CE2 3.61Å; F37-F86 HydrophobicContact CE1-CE2 3.61Å; F37-F86 HydrophobicContact CE1-CG 4.34Å; F37-F86 AromaticContact CE2-CD2 3.97Å; F37-F86 HydrophobicContact CE2-CD2 3.97Å; F37-F86 AromaticContact CG-CD2 3.65Å; F37-F86 HydrophobicContact CG-CD2 3.65Å; F37-F86 AromaticContact CG-CE2 3.72Å; F37-F86 HydrophobicContact CG-CE2 3.72Å; F37-F86 HydrophobicContact CZ-CB 4.47Å; F37-F86 AromaticContact CZ-CD2 3.62Å; F37-F86 HydrophobicContact CZ-CD2 3.62Å; F37-F86 HydrophobicContact CZ-CE2 4.39Å; F37-F86 HydrophobicContact CZ-CG 4.47Å; W46-F86 HydrophobicContact CH2-CD2 4.08Å; W46-F86 AromaticContact CH2-CE2 3.44Å; W46-F86 HydrophobicContact CH2-CE2 3.44Å; W46-F86 VanDerWaalsContact CH2-CE2 3.44Å; W46-F86 AromaticContact CH2-CZ 3.76Å; W46-F86 HydrophobicContact CH2-CZ 3.76Å; W46-F86 HydrophobicContact CZ3-CE2 4.02Å; W46-F86 HydrophobicContact CZ3-CZ 4.38Å; R83-F86 WeakPolarHBondContact O-CB 3.26Å; R83-F86 PolarHBondContact O-N 2.92Å; D84-F86 PolarHBondContact O-N 3.37Å; F86-I88 HydrophobicContact CD1-CG1 4.08Å; F86-I88 HydrophobicContact CE1-CG1 4.28Å; F86-I88 PolarHBondContact O-N 2.87Å; F86-I88 VanDerWaalsContact O-N 3.14Å; F86-L91 HydrophobicContact CE1-CD2 4.34Å; F86-L91 HydrophobicContact CE2-CB 4.39Å; F86-L91 HydrophobicContact CE2-CD1 3.82Å; F86-L91 HydrophobicContact CE2-CD2 4.41Å; F86-L91 HydrophobicContact CE2-CG 4.41Å; F86-L91 HydrophobicContact CZ-CB 4.37Å; F86-L91 HydrophobicContact CZ-CD1 3.68Å; F86-L91 HydrophobicContact CZ-CD2 3.63Å; F86-L91 HydrophobicContact CZ-CG 4.08Å; F86-L195 HydrophobicContact CE1-CD1 3.48Å; F86-L195 VanDerWaalsContact CE1-CD1 3.48Å; F86-L195 HydrophobicContact CE1-CD2 4.09Å; F86-L195 HydrophobicContact CE1-CG 4.43Å; F86-L195 HydrophobicContact CE2-CD2 4.47Å; F86-L195 HydrophobicContact CZ-CD1 3.7Å; F86-L195 HydrophobicContact CZ-CD2 3.54Å; F86-L195 HydrophobicContact CZ-CG 4.27Å; F86-F201 HydrophobicContact CE1-CB 4.45Å
87	D	83.2	Confident	78.9	Confident	55 Å²	55	53 Å²	53	29%	0.294	29%	0.29	S	S	.	.			trans	-83.5	90.5	174.4	-177.8	7.2	0	0	0	110.6	F37 K38 G85 S89 T90 L91	F37-D87 HydrophobicContact CD2-CB 4Å; K38-D87 WeakPolarHBondContact O-CB 3.42Å; G85-D87 PolarHBondContact O-N 3.31Å; D87-S89 PolarHBondContact O-N 3.36Å; D87-S89 WeakPolarHBondContact OD1-CB 3.33Å; D87-S89 PolarHBondContact OD1-N 3.34Å; D87-S89 PolarHBondContact OD1-OG 2.81Å; D87-S89 PolarHBondContact OD2-OG 3.1Å; D87-T90 WeakPolarHBondContact CB-OG1 3.42Å; D87-T90 VanDerWaalsContact CG-OG1 3.23Å; D87-T90 PolarHBondContact O-N 2.63Å; D87-T90 VanDerWaalsContact O-N 3.15Å; D87-T90 PolarHBondContact O-OG1 2.96Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.43Å; D87-T90 PolarHBondContact OD2-OG1 2.75Å; D87-L91 PolarHBondContact O-N 2.8Å
88	I	82.3	Confident	77.9	Confident	76 Å²	76	52.8 Å²	52.8	39%	0.39	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-58.8	-31.8	178.1	-61.5	172.4	0	0	0	111.3	F86 T90 L91	F86-I88 HydrophobicContact CD1-CG1 4.08Å; F86-I88 HydrophobicContact CE1-CG1 4.28Å; F86-I88 PolarHBondContact O-N 2.87Å; F86-I88 VanDerWaalsContact O-N 3.14Å; I88-T90 PolarHBondContact O-N 2.85Å; I88-L91 WeakPolarHBondContact O-CB 3.41Å; I88-L91 PolarHBondContact O-N 3.08Å
89	S	85.1	Confident	76.9	Confident	108 Å²	108	56.2 Å²	56.2	76%	0.755	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-66.9	-23.6	-177.6	77.9	0	0	0	0	112.7	D87	D87-S89 PolarHBondContact O-N 3.36Å; D87-S89 WeakPolarHBondContact OD1-CB 3.33Å; D87-S89 PolarHBondContact OD1-N 3.34Å; D87-S89 PolarHBondContact OD1-OG 2.81Å; D87-S89 PolarHBondContact OD2-OG 3.1Å
90	T	88.2	Confident	75.8	Confident	35 Å²	35	64.2 Å²	64.2	22%	0.215	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-107.2	11.7	174.6	63.3	0	0	0	0	112	S29 F37 K38 D87 I88 W92	S29-T90 WeakPolarHBondContact CB-O 3.49Å; F37-T90 WeakPolarHBondContact CA-O 3.21Å; K38-T90 HydrophobicContact CB-CG2 4.2Å; K38-T90 PolarHBondContact N-OG1 2.85Å; K38-T90 PolarHBondContact O-OG1 3.49Å; D87-T90 WeakPolarHBondContact CB-OG1 3.42Å; D87-T90 VanDerWaalsContact CG-OG1 3.23Å; D87-T90 PolarHBondContact O-N 2.63Å; D87-T90 VanDerWaalsContact O-N 3.15Å; D87-T90 PolarHBondContact O-OG1 2.96Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.43Å; D87-T90 PolarHBondContact OD2-OG1 2.75Å; I88-T90 PolarHBondContact O-N 2.85Å; T90-W92 PolarHBondContact O-N 2.82Å
91	L	87.4	Confident	74.9	Confident	31 Å²	31	66.5 Å²	66.5	16%	0.162	36%	0.359	C	S	.	.			trans	-67	124.7	176.4	176.3	60.3	0	0	0	111.1	W46 F86 D87 I88 I93 L195	W46-L91 HydrophobicContact CZ3-CD1 4.14Å; F86-L91 HydrophobicContact CE1-CD2 4.34Å; F86-L91 HydrophobicContact CE2-CB 4.39Å; F86-L91 HydrophobicContact CE2-CD1 3.82Å; F86-L91 HydrophobicContact CE2-CD2 4.41Å; F86-L91 HydrophobicContact CE2-CG 4.41Å; F86-L91 HydrophobicContact CZ-CB 4.37Å; F86-L91 HydrophobicContact CZ-CD1 3.68Å; F86-L91 HydrophobicContact CZ-CD2 3.63Å; F86-L91 HydrophobicContact CZ-CG 4.08Å; D87-L91 PolarHBondContact O-N 2.8Å; I88-L91 WeakPolarHBondContact O-CB 3.41Å; I88-L91 PolarHBondContact O-N 3.08Å; L91-I93 HydrophobicContact CD1-CD1 3.99Å; L91-I93 HydrophobicContact CD1-CG1 3.66Å; L91-I93 HydrophobicContact CD2-CD1 3.71Å; L91-I93 HydrophobicContact CD2-CG1 4.15Å; L91-I93 HydrophobicContact CG-CD1 3.96Å; L91-I93 HydrophobicContact CG-CG1 3.81Å; L91-L195 HydrophobicContact CD1-CD2 4.12Å; L91-L195 HydrophobicContact CD2-CD1 4.11Å; L91-L195 HydrophobicContact CD2-CD2 4.39Å
92	W	87	Confident	74.5	Confident	77 Å²	77	65.2 Å²	65.2	29%	0.292	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.8	166.7	176.5	-105	0	0	0	110.8	K32 A34 I35 G36 T90	K32-W92 VanDerWaalsContact CA-CE2 3.49Å; K32-W92 VanDerWaalsContact CA-NE1 3.3Å; K32-W92 HydrophobicContact CB-CD2 4.14Å; K32-W92 HydrophobicContact CB-CH2 4.06Å; K32-W92 HydrophobicContact CB-CZ2 3.58Å; K32-W92 HydrophobicContact CD-CE3 4.48Å; K32-W92 HydrophobicContact CD-CH2 3.95Å; K32-W92 HydrophobicContact CD-CZ2 4.35Å; K32-W92 HydrophobicContact CD-CZ3 4.04Å; K32-W92 HydrophobicContact CG-CD2 4.01Å; K32-W92 HydrophobicContact CG-CE3 4.03Å; K32-W92 HydrophobicContact CG-CH2 4.02Å; K32-W92 HydrophobicContact CG-CZ2 4Å; K32-W92 HydrophobicContact CG-CZ3 4.04Å; K32-W92 PolarHBondContact O-NE1 2.89Å; A34-W92 PolarHBondContact O-NE1 2.82Å; I35-W92 CarbonylContact C-O 3.6Å; I35-W92 VanDerWaalsContact CA-O 3.3Å; I35-W92 WeakPolarHBondContact CA-O 3.3Å; G36-W92 PolarHBondContact N-O 2.89Å; G36-W92 PolarHBondContact O-N 3.32Å; T90-W92 PolarHBondContact O-N 2.82Å
93	I	83.5	Confident	73.8	Confident	17 Å²	17	72.4 Å²	72.4	9%	0.087	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	108.8	176.6	-45	178.3	0	0	0	108.8	I35 L91 S95 I98 W102 L195 N196	I35-I93 HydrophobicContact CB-CG2 4.34Å; I35-I93 HydrophobicContact CD1-CG2 4.3Å; I35-I93 HydrophobicContact CG1-CG2 3.77Å; I35-I93 HydrophobicContact CG2-CB 4.35Å; I35-I93 HydrophobicContact CG2-CG1 4.18Å; I35-I93 HydrophobicContact CG2-CG2 3.74Å; L91-I93 HydrophobicContact CD1-CD1 3.99Å; L91-I93 HydrophobicContact CD1-CG1 3.66Å; L91-I93 HydrophobicContact CD2-CD1 3.71Å; L91-I93 HydrophobicContact CD2-CG1 4.15Å; L91-I93 HydrophobicContact CG-CD1 3.96Å; L91-I93 HydrophobicContact CG-CG1 3.81Å; I93-S95 PolarHBondContact O-N 3.25Å; I93-I98 HydrophobicContact CB-CD1 3.98Å; I93-I98 HydrophobicContact CG2-CD1 3.1Å; I93-I98 HydrophobicContact CG2-CG1 3.63Å; I93-W102 HydrophobicContact CG2-CH2 3.89Å; I93-W102 HydrophobicContact CG2-CZ3 4.42Å; I93-L195 HydrophobicContact CD1-CD2 4.28Å; I93-L195 HydrophobicContact CD1-CG 4.2Å; I93-N196 WeakPolarHBondContact CD1-O 3.44Å
94	H	77.7	Confident	72.9	Confident	56 Å²	56	75.3 Å²	75.3	26%	0.259	39%	0.392	S	S	.	.			trans	-63.3	110.7	-175.5	-169.5	-83.1	0	0	0	112.3	A34 K96 V97 I98	A34-H94 WeakPolarHBondContact O-CB 3.34Å; A34-H94 PolarHBondContact O-N 2.86Å; H94-K96 VanDerWaalsContact C-N 3.33Å; H94-K96 PolarHBondContact ND1-N 3.46Å; H94-K96 PolarHBondContact O-N 2.81Å; H94-V97 HydrophobicContact CB-CB 4.18Å; H94-V97 HydrophobicContact CB-CG2 3.97Å; H94-V97 WeakPolarHBondContact ND1-CG2 3.49Å; H94-V97 PolarHBondContact ND1-N 3.13Å; H94-V97 WeakPolarHBondContact O-CB 2.73Å; H94-V97 PolarHBondContact O-N 3.45Å; H94-I98 WeakPolarHBondContact O-CG1 3.35Å; H94-I98 PolarHBondContact O-N 2.89Å
95	S	70.5	Confident	72.3	Confident	59 Å²	59	71.8 Å²	71.8	41%	0.413	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-35.1	-169.8	63	0	0	0	0	114.7	I93 V97 S99 R197	I93-S95 PolarHBondContact O-N 3.25Å; S95-V97 VanDerWaalsContact C-N 3.34Å; S95-S99 PolarHBondContact O-N 3.28Å; S95-S99 PolarHBondContact O-OG 3.47Å; S95-R197 PolarHBondContact O-NH2 2.99Å
96	K	71.1	Confident	72.1	Confident	140 Å²	140	79 Å²	79	61%	0.609	39%	0.394	S	S	*	.	H	α-helix	trans	-74.7	-23.8	176	-55.5	-179.4	177.5	173.7	0	113	H94 S99 K100	H94-K96 VanDerWaalsContact C-N 3.33Å; H94-K96 PolarHBondContact ND1-N 3.46Å; H94-K96 PolarHBondContact O-N 2.81Å; K96-S99 WeakPolarHBondContact CA-OG 3.31Å; K96-S99 PolarHBondContact O-OG 3Å; K96-K100 WeakPolarHBondContact O-CB 3.41Å; K96-K100 VanDerWaalsContact O-CG 3.26Å; K96-K100 WeakPolarHBondContact O-CG 3.4Å; K96-K100 PolarHBondContact O-N 2.95Å
97	V	68.2	Low	72	Confident	54 Å²	54	79 Å²	79	33%	0.327	40%	0.398	S	S	.	.	H	α-helix	trans	-72	-56.8	175.3	172.3	0	0	0	0	107.2	I35 H94 S95 S99 K100 T101 W102	I35-V97 HydrophobicContact CD1-CB 4.47Å; I35-V97 HydrophobicContact CD1-CG1 3.84Å; H94-V97 HydrophobicContact CB-CB 4.18Å; H94-V97 HydrophobicContact CB-CG2 3.97Å; H94-V97 WeakPolarHBondContact ND1-CG2 3.49Å; H94-V97 PolarHBondContact ND1-N 3.13Å; H94-V97 WeakPolarHBondContact O-CB 2.73Å; H94-V97 PolarHBondContact O-N 3.45Å; S95-V97 VanDerWaalsContact C-N 3.34Å; V97-S99 PolarHBondContact O-N 3.18Å; V97-K100 PolarHBondContact O-N 3.07Å; V97-T101 WeakPolarHBondContact CG1-OG1 2.92Å; V97-T101 PolarHBondContact O-N 3.37Å; V97-T101 PolarHBondContact O-OG1 2.92Å; V97-W102 HydrophobicContact CG1-CZ2 4.25Å
98	I	66.4	Low	71.9	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-45.9	-48.6	177.4	-47.6	-155.4	0	0	0	112.7	I93 H94 K100 W102 R197	I93-I98 HydrophobicContact CB-CD1 3.98Å; I93-I98 HydrophobicContact CG2-CD1 3.1Å; I93-I98 HydrophobicContact CG2-CG1 3.63Å; H94-I98 WeakPolarHBondContact O-CG1 3.35Å; H94-I98 PolarHBondContact O-N 2.89Å; I98-K100 VanDerWaalsContact C-N 3.33Å; I98-K100 PolarHBondContact O-N 2.84Å; I98-W102 HydrophobicContact CB-CD2 4.16Å; I98-W102 HydrophobicContact CB-CE3 3.7Å; I98-W102 HydrophobicContact CB-CH2 4Å; I98-W102 HydrophobicContact CB-CZ2 4.47Å; I98-W102 HydrophobicContact CB-CZ3 3.67Å; I98-W102 HydrophobicContact CD1-CE3 4.3Å; I98-W102 HydrophobicContact CD1-CH2 3.78Å; I98-W102 HydrophobicContact CD1-CZ3 3.47Å; I98-W102 VanDerWaalsContact CD1-CZ3 3.47Å; I98-W102 HydrophobicContact CG1-CE3 3.97Å; I98-W102 HydrophobicContact CG1-CH2 3.39Å; I98-W102 HydrophobicContact CG1-CZ2 4.13Å; I98-W102 HydrophobicContact CG1-CZ3 3.38Å; I98-W102 HydrophobicContact CG2-CD2 4.05Å; I98-W102 HydrophobicContact CG2-CE3 3.28Å; I98-W102 HydrophobicContact CG2-CH2 4.36Å; I98-W102 HydrophobicContact CG2-CZ3 3.52Å; I98-W102 WeakPolarHBondContact O-CB 3.46Å; I98-W102 PolarHBondContact O-N 3.2Å; I98-R197 HydrophobicContact CD1-CG 3.34Å
99	S	66	Low	71.9	Confident	77 Å²	77	74.4 Å²	74.4	54%	0.538	38%	0.377	S	S	.	.	H	α-helix	trans	-74.6	-20.9	-173.6	49	0	0	0	0	114	S95 K96 V97	S95-S99 PolarHBondContact O-N 3.28Å; S95-S99 PolarHBondContact O-OG 3.47Å; K96-S99 WeakPolarHBondContact CA-OG 3.31Å; K96-S99 PolarHBondContact O-OG 3Å; V97-S99 PolarHBondContact O-N 3.18Å
100	K	61.8	Low	71.9	Confident	179 Å²	179	69.2 Å²	69.2	78%	0.778	34%	0.341	S	S	*	.	H	α-helix	trans	-97.1	-38	-179.6	-74.5	-176	175.3	-168.2	0	113.1	K96 V97 I98	K96-K100 WeakPolarHBondContact O-CB 3.41Å; K96-K100 VanDerWaalsContact O-CG 3.26Å; K96-K100 WeakPolarHBondContact O-CG 3.4Å; K96-K100 PolarHBondContact O-N 2.95Å; V97-K100 PolarHBondContact O-N 3.07Å; I98-K100 VanDerWaalsContact C-N 3.33Å; I98-K100 PolarHBondContact O-N 2.84Å
101	T	57.6	Low	71.8	Confident	55 Å²	55	67.6 Å²	67.6	34%	0.337	33%	0.331	S	S	.	.	H	α-helix	trans	-96.6	-14.6	-172.5	24.3	0	0	0	0	113.9	L48 V97	L48-T101 HydrophobicContact CD2-CG2 3.94Å; V97-T101 WeakPolarHBondContact CG1-OG1 2.92Å; V97-T101 PolarHBondContact O-N 3.37Å; V97-T101 PolarHBondContact O-OG1 2.92Å
102	W	62.9	Low	71.4	Confident	18 Å²	18	66.3 Å²	66.3	7%	0.068	33%	0.325	C	S	.	.			trans	-117.6	110.9	-167.1	-47.4	-20.5	0	0	0	112.2	I35 I93 V97 I98 H104 G105 I108 H219	I35-W102 HydrophobicContact CD1-CH2 3.47Å; I35-W102 VanDerWaalsContact CD1-CH2 3.47Å; I35-W102 HydrophobicContact CD1-CZ2 3.16Å; I35-W102 HydrophobicContact CG1-CH2 4.39Å; I35-W102 HydrophobicContact CG1-CZ2 4.45Å; I93-W102 HydrophobicContact CG2-CH2 3.89Å; I93-W102 HydrophobicContact CG2-CZ3 4.42Å; V97-W102 HydrophobicContact CG1-CZ2 4.25Å; I98-W102 HydrophobicContact CB-CD2 4.16Å; I98-W102 HydrophobicContact CB-CE3 3.7Å; I98-W102 HydrophobicContact CB-CH2 4Å; I98-W102 HydrophobicContact CB-CZ2 4.47Å; I98-W102 HydrophobicContact CB-CZ3 3.67Å; I98-W102 HydrophobicContact CD1-CE3 4.3Å; I98-W102 HydrophobicContact CD1-CH2 3.78Å; I98-W102 HydrophobicContact CD1-CZ3 3.47Å; I98-W102 VanDerWaalsContact CD1-CZ3 3.47Å; I98-W102 HydrophobicContact CG1-CE3 3.97Å; I98-W102 HydrophobicContact CG1-CH2 3.39Å; I98-W102 HydrophobicContact CG1-CZ2 4.13Å; I98-W102 HydrophobicContact CG1-CZ3 3.38Å; I98-W102 HydrophobicContact CG2-CD2 4.05Å; I98-W102 HydrophobicContact CG2-CE3 3.28Å; I98-W102 HydrophobicContact CG2-CH2 4.36Å; I98-W102 HydrophobicContact CG2-CZ3 3.52Å; I98-W102 WeakPolarHBondContact O-CB 3.46Å; I98-W102 PolarHBondContact O-N 3.2Å; W102-H104 PolarHBondContact O-N 2.92Å; W102-G105 PolarHBondContact O-N 2.91Å; W102-I108 HydrophobicContact CD2-CG2 4.15Å; W102-I108 HydrophobicContact CE3-CB 4.47Å; W102-I108 HydrophobicContact CE3-CG2 3.95Å; W102-I108 HydrophobicContact CH2-CB 4.03Å; W102-I108 HydrophobicContact CH2-CG2 2.89Å; W102-I108 HydrophobicContact CZ2-CB 4.39Å; W102-I108 HydrophobicContact CZ2-CG2 3.08Å; W102-I108 HydrophobicContact CZ3-CB 3.98Å; W102-I108 HydrophobicContact CZ3-CG2 3.3Å; W102-H219 AromaticContact CD1-CE1 3.71Å; W102-H219 AromaticContact CD1-NE2 3.96Å; W102-H219 AromaticContact CE2-CE1 3.6Å; W102-H219 AromaticContact CE2-NE2 3.48Å; W102-H219 AromaticContact CZ2-CE1 3.99Å; W102-H219 AromaticContact CZ2-NE2 3.6Å; W102-H219 AromaticContact NE1-CE1 3.16Å; W102-H219 PolarHBondContact NE1-CE1 2.94Å; W102-H219 AromaticContact NE1-NE2 3.01Å; W102-H219 PolarHBondContact NE1-NE2 3.46Å
103	R	54	Low	71.3	Confident	199 Å²	199	62.8 Å²	62.8	75%	0.751	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-20.4	-179.8	-89.4	-176.4	174.4	173.2	-5.9	114.8	E217	R103-E217 WeakPolarHBondContact CD-OE1 3.02Å; R103-E217 WeakPolarHBondContact CD-OE2 3.19Å; R103-E217 WeakPolarHBondContact CG-OE1 3.26Å; R103-E217 IonicContact NE-OE1 3.43Å; R103-E217 PolarHBondContact NE-OE1 2.71Å
104	H	55.8	Low	71.5	Confident	160 Å²	160	62.1 Å²	62.1	74%	0.741	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	10.8	179.6	-57.9	-59.1	0	0	0	114.6	W102 R106	W102-H104 PolarHBondContact O-N 2.92Å; H104-R106 PolarHBondContact O-N 2.75Å
105	G	56.5	Low	72	Confident	39 Å²	39	59.7 Å²	59.7	40%	0.402	30%	0.297	S	S	.	.	S	Bend	trans	69.5	-10.3	154.3	0	0	0	0	0	118.7	W102	W102-G105 PolarHBondContact O-N 2.91Å
106	R	68.7	Low	73.1	Confident	201 Å²	201	57 Å²	57	76%	0.758	28%	0.278	S	S	*	.	S	Bend	trans	-148	-2.6	179.9	-62.6	-172.4	-175.8	177.8	2.2	116.9	H104	H104-R106 PolarHBondContact O-N 2.75Å
107	A	78.2	Confident	74.1	Confident	23 Å²	23	53.2 Å²	53.2	19%	0.19	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.1	-175.9	0	0	0	0	0	113.6	S194 L195 N196	A107-S194 WeakPolarHBondContact CB-OG 3.46Å; A107-L195 CarbonylContact C-O 3.56Å; A107-L195 WeakPolarHBondContact CA-O 3.4Å; A107-L195 WeakPolarHBondContact CB-O 3.49Å; A107-N196 HydrophobicContact CB-CB 4.14Å
108	I	80.9	Confident	75.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.4	165.8	47.6	179	0	0	0	109.3	I35 W46 W102 S194 L195	I35-I108 HydrophobicContact CD1-CG2 4.46Å; I35-I108 HydrophobicContact CG2-CD1 4.45Å; W46-I108 HydrophobicContact CB-CD1 3.98Å; W46-I108 HydrophobicContact CD2-CD1 3.68Å; W46-I108 HydrophobicContact CE3-CD1 4.32Å; W46-I108 HydrophobicContact CG-CD1 3.5Å; W46-I108 VanDerWaalsContact CG-CD1 3.5Å; W102-I108 HydrophobicContact CD2-CG2 4.15Å; W102-I108 HydrophobicContact CE3-CB 4.47Å; W102-I108 HydrophobicContact CE3-CG2 3.95Å; W102-I108 HydrophobicContact CH2-CB 4.03Å; W102-I108 HydrophobicContact CH2-CG2 2.89Å; W102-I108 HydrophobicContact CZ2-CB 4.39Å; W102-I108 HydrophobicContact CZ2-CG2 3.08Å; W102-I108 HydrophobicContact CZ3-CB 3.98Å; W102-I108 HydrophobicContact CZ3-CG2 3.3Å; I108-S194 CarbonylContact O-C 3.6Å; I108-S194 WeakPolarHBondContact O-CA 3.39Å; I108-L195 HydrophobicContact CD1-CB 3.93Å; I108-L195 HydrophobicContact CD1-CD2 3.87Å; I108-L195 HydrophobicContact CD1-CG 4.35Å; I108-L195 HydrophobicContact CG1-CB 3.57Å; I108-L195 HydrophobicContact CG1-CD2 4.33Å; I108-L195 HydrophobicContact CG1-CG 4.27Å; I108-L195 WeakPolarHBondContact CG1-O 3.02Å; I108-L195 PolarHBondContact N-O 2.89Å; I108-L195 PolarHBondContact O-N 2.98Å
109	S	83.1	Confident	76.7	Confident	34 Å²	34	51.3 Å²	51.3	24%	0.238	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	110	150.3	-60.7	0	0	0	0	107.6	C193 H218 H219	S109-C193 WeakPolarHBondContact CA-O 2.98Å; S109-H218 CarbonylContact O-C 3.49Å; S109-H219 PolarHBondContact O-N 3.39Å; S109-H219 PolarHBondContact O-ND1 2.79Å; S109-H219 VanDerWaalsContact O-ND1 3.08Å
110	G	83.6	Confident	78.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.6	179.5	0	0	0	0	0	110.6	I192 C193 H219	G110-I192 CarbonylContact O-C 3.51Å; G110-I192 WeakPolarHBondContact O-CA 3.01Å; G110-C193 PolarHBondContact N-O 3.47Å; G110-C193 PolarHBondContact O-N 3.1Å; G110-C193 PolarHBondContact O-SG 3.28Å; G110-C193 VanDerWaalsContact O-SG 3.33Å; G110-H219 CarbonylContact C-O 3.56Å; G110-H219 WeakPolarHBondContact CA-O 3.39Å
111	H	86.6	Confident	79.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.5	165.8	73.7	-67.4	0	0	0	109	H191 L212 H218 H219 V220 S221	H111-H191 VanDerWaalsContact CB-O 3.25Å; H111-H191 WeakPolarHBondContact CB-O 3.44Å; H111-L212 HydrophobicContact CB-CD2 3.91Å; H111-H218 AromaticContact CE1-CD2 3.18Å; H111-H218 PolarHBondContact CE1-CD2 2.81Å; H111-H218 AromaticContact CE1-NE2 3.54Å; H111-H218 AromaticContact ND1-CD2 3.47Å; H111-H218 PolarHBondContact ND1-CD2 3.08Å; H111-H219 PolarHBondContact N-O 2.76Å; H111-H219 PolarHBondContact ND1-O 2.82Å; H111-V220 WeakPolarHBondContact CE1-CG2 3.21Å; H111-S221 PolarHBondContact O-N 2.77Å; H111-S221 VanDerWaalsContact O-N 3.07Å; H111-S221 PolarHBondContact O-OG 2.85Å
112	G	80	Confident	81.2	Confident	4 Å²	4	45.3 Å²	45.3	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-167.8	176.6	0	0	0	0	0	111.5	Y78 Y114 F115 S221	Y78-G112 CarbonylContact O-C 3.58Å; Y78-G112 WeakPolarHBondContact O-CA 3.3Å; G112-Y114 PolarHBondContact O-N 2.92Å; G112-Y114 VanDerWaalsContact O-N 3.08Å; G112-F115 VanDerWaalsContact O-CE1 3.24Å; G112-F115 WeakPolarHBondContact O-CE1 3.31Å; G112-S221 WeakPolarHBondContact CA-OG 3.27Å
113	H	84	Confident	82.7	Confident	3 Å²	3	49.7 Å²	49.7	1%	0.014	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	45.5	176.1	-142	-150.7	0	0	0	112.1	D61 P77 Y78 F115 Y140 V141 E142	D61-H113 IonicContact OD1-CE1 3.01Å; D61-H113 PolarHBondContact OD1-CE1 3.38Å; D61-H113 IonicContact OD1-NE2 2.71Å; D61-H113 PolarHBondContact OD1-NE2 3.01Å; P77-H113 HydrophobicContact CB-CB 3.43Å; P77-H113 VanDerWaalsContact CB-CB 3.43Å; P77-H113 WeakPolarHBondContact CB-ND1 3.43Å; Y78-H113 PolarHBondContact O-N 2.02Å; H113-F115 AromaticContact CD2-CE2 3.33Å; H113-F115 WeakPolarHBondContact CD2-CE2 3.32Å; H113-F115 AromaticContact CD2-CZ 3.36Å; H113-F115 WeakPolarHBondContact CD2-CZ 3.33Å; H113-F115 AromaticContact NE2-CE2 3.67Å; H113-Y140 AromaticContact CE1-CE1 3.31Å; H113-Y140 WeakPolarHBondContact CE1-CE1 3.47Å; H113-Y140 AromaticContact CE1-CZ 3.89Å; H113-Y140 AromaticContact ND1-CE1 3.48Å; H113-Y140 WeakPolarHBondContact ND1-CE1 3.07Å; H113-Y140 AromaticContact NE2-CE1 3.9Å; H113-V141 WeakPolarHBondContact O-CA 3.34Å; H113-E142 PolarHBondContact O-N 2.03Å
114	Y	87	Confident	84.6	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	104.4	173.6	-175.2	-91.6	0	0	0	108.9	F80 I81 G112 F116 T139 Y140 V141 W167 H191	F80-Y114 WeakPolarHBondContact O-CB 3.41Å; I81-Y114 HydrophobicContact CD1-CD2 3.74Å; I81-Y114 HydrophobicContact CD1-CE2 3.42Å; I81-Y114 VanDerWaalsContact CD1-CE2 3.42Å; I81-Y114 HydrophobicContact CG1-CD1 4.13Å; I81-Y114 HydrophobicContact CG1-CD2 3.18Å; I81-Y114 HydrophobicContact CG1-CE1 4.26Å; I81-Y114 HydrophobicContact CG1-CE2 3.35Å; I81-Y114 HydrophobicContact CG1-CG 3.64Å; G112-Y114 PolarHBondContact O-N 2.92Å; G112-Y114 VanDerWaalsContact O-N 3.08Å; Y114-F116 AromaticContact CE1-CD1 3.91Å; Y114-F116 HydrophobicContact CE1-CD1 3.91Å; Y114-T139 VanDerWaalsContact OH-CG2 3.23Å; Y114-T139 WeakPolarHBondContact OH-CG2 3.42Å; Y114-Y140 WeakPolarHBondContact CA-O 3.49Å; Y114-V141 HydrophobicContact CD2-CG1 4.46Å; Y114-V141 HydrophobicContact CD2-CG2 3.51Å; Y114-V141 HydrophobicContact CE2-CG2 3.52Å; Y114-W167 HydrophobicContact CE1-CE3 4.45Å; Y114-W167 AromaticContact CE1-CH2 3.4Å; Y114-W167 HydrophobicContact CE1-CH2 3.4Å; Y114-W167 HydrophobicContact CE1-CZ2 4.23Å; Y114-W167 AromaticContact CE1-CZ3 3.51Å; Y114-W167 HydrophobicContact CE1-CZ3 3.51Å; Y114-W167 AromaticContact CZ-CH2 3.38Å; Y114-W167 AromaticContact CZ-CZ2 3.76Å; Y114-W167 AromaticContact CZ-CZ3 3.64Å; Y114-W167 WeakPolarHBondContact OH-CH2 3.24Å; Y114-W167 WeakPolarHBondContact OH-CZ2 3.17Å; Y114-W167 WeakPolarHBondContact OH-CZ3 3.36Å; Y114-H191 HydrophobicContact CD1-CB 4.06Å
115	F	90.2	Very high	86.4	Confident	5 Å²	5	39.6 Å²	39.6	2%	0.022	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	154.1	177.7	-42.7	-42.1	0	0	0	110.1	V60 L64 G112 H113 T139 Y140 W188 L189 C190 C209	V60-F115 HydrophobicContact CG1-CE2 4.48Å; V60-F115 HydrophobicContact CG1-CZ 4.26Å; L64-F115 HydrophobicContact CD1-CE1 4.23Å; L64-F115 HydrophobicContact CD1-CE2 4.31Å; L64-F115 HydrophobicContact CD1-CZ 3.45Å; L64-F115 VanDerWaalsContact CD1-CZ 3.45Å; G112-F115 VanDerWaalsContact O-CE1 3.24Å; G112-F115 WeakPolarHBondContact O-CE1 3.31Å; H113-F115 AromaticContact CD2-CE2 3.33Å; H113-F115 WeakPolarHBondContact CD2-CE2 3.32Å; H113-F115 AromaticContact CD2-CZ 3.36Å; H113-F115 WeakPolarHBondContact CD2-CZ 3.33Å; H113-F115 AromaticContact NE2-CE2 3.67Å; F115-T139 CarbonylContact O-C 3.46Å; F115-T139 WeakPolarHBondContact O-CA 3.35Å; F115-Y140 HydrophobicContact CD2-CD1 4.11Å; F115-Y140 HydrophobicContact CD2-CG 4.33Å; F115-Y140 HydrophobicContact CE2-CD1 4.48Å; F115-Y140 PolarHBondContact N-O 2.9Å; F115-Y140 PolarHBondContact O-N 3.26Å; F115-W188 HydrophobicContact CB-CD2 4.46Å; F115-W188 HydrophobicContact CB-CE3 3.65Å; F115-W188 HydrophobicContact CB-CZ3 4.12Å; F115-L189 VanDerWaalsContact CA-O 3.29Å; F115-L189 WeakPolarHBondContact CA-O 3.48Å; F115-C190 HydrophobicContact CD1-CB 4.22Å; F115-C190 WeakPolarHBondContact CD1-SG 3.3Å; F115-C190 HydrophobicContact CE1-CB 4.46Å; F115-C190 WeakPolarHBondContact CE1-SG 3.32Å; F115-C209 VanDerWaalsContact CD1-SG 3.59Å
116	F	92.1	Very high	87.9	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.6	167.1	69.3	-85.7	0	0	0	111.4	Y114 I137 D138 T139 W167 L168 F181 L189 L206	Y114-F116 AromaticContact CE1-CD1 3.91Å; Y114-F116 HydrophobicContact CE1-CD1 3.91Å; F116-I137 HydrophobicContact CB-CG2 3.78Å; F116-I137 HydrophobicContact CD2-CG2 3.93Å; F116-I137 HydrophobicContact CG-CG2 4.27Å; F116-D138 CarbonylContact C-O 3.41Å; F116-D138 WeakPolarHBondContact CA-O 3.43Å; F116-D138 WeakPolarHBondContact CB-O 3.39Å; F116-T139 HydrophobicContact CB-CG2 4.21Å; F116-W167 HydrophobicContact CD1-CH2 4.09Å; F116-W167 HydrophobicContact CE1-CH2 4.39Å; F116-W167 HydrophobicContact CG-CH2 4.47Å; F116-L168 HydrophobicContact CE1-CD1 3.91Å; F116-L168 HydrophobicContact CE2-CD1 4.31Å; F116-L168 HydrophobicContact CE2-CD2 4.19Å; F116-L168 HydrophobicContact CZ-CD1 3.72Å; F116-L168 HydrophobicContact CZ-CD2 4.36Å; F116-F181 HydrophobicContact CE2-CD2 4.44Å; F116-F181 HydrophobicContact CE2-CE2 4.39Å; F116-F181 HydrophobicContact CZ-CE1 4.34Å; F116-F181 HydrophobicContact CZ-CE2 4.26Å; F116-F181 HydrophobicContact CZ-CZ 4.11Å; F116-L189 HydrophobicContact CD1-CB 4.33Å; F116-L189 HydrophobicContact CD2-CB 4.48Å; F116-L189 HydrophobicContact CD2-CD1 4.35Å; F116-L189 HydrophobicContact CE1-CB 4.02Å; F116-L189 HydrophobicContact CE2-CB 4.17Å; F116-L189 HydrophobicContact CE2-CD1 3.61Å; F116-L189 HydrophobicContact CE2-CG 4.41Å; F116-L189 HydrophobicContact CZ-CB 3.93Å; F116-L189 HydrophobicContact CZ-CD1 3.81Å; F116-L189 PolarHBondContact N-O 2.78Å; F116-L189 WeakPolarHBondContact O-CB 3.09Å; F116-L189 PolarHBondContact O-N 2.87Å; F116-L206 HydrophobicContact CE1-CD1 4.18Å; F116-L206 HydrophobicContact CE1-CD2 3.6Å; F116-L206 HydrophobicContact CZ-CD1 3.87Å; F116-L206 HydrophobicContact CZ-CD2 4.08Å
117	R	93.5	Very high	88.8	Confident	61 Å²	61	40.5 Å²	40.5	23%	0.23	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.2	172	62.4	176.7	-176.3	-166	-2.7	109.9	T119 I137 D138 V187 W188	R117-T119 HydrophobicContact CG-CG2 4.06Å; R117-I137 CarbonylContact O-C 3.57Å; R117-I137 VanDerWaalsContact O-CA 3.3Å; R117-I137 WeakPolarHBondContact O-CA 3.48Å; R117-I137 WeakPolarHBondContact O-CG2 3.44Å; R117-D138 HydrophobicContact CG-CB 3.9Å; R117-D138 IonicContact CZ-OD2 2.92Å; R117-D138 PolarHBondContact N-O 3.22Å; R117-D138 IonicContact NE-OD2 3.46Å; R117-D138 PolarHBondContact NE-OD2 2.88Å; R117-D138 IonicContact NH2-OD2 2.78Å; R117-D138 PolarHBondContact NH2-OD2 3.32Å; R117-D138 PolarHBondContact O-N 2.64Å; R117-V187 WeakPolarHBondContact CB-O 3.15Å; R117-W188 HydrophobicContact CB-CD2 4.24Å; R117-W188 HydrophobicContact CB-CE3 4.03Å; R117-W188 HydrophobicContact CB-CZ3 4.42Å; R117-W188 HydrophobicContact CG-CD2 4.16Å; R117-W188 HydrophobicContact CG-CE3 3.96Å; R117-W188 HydrophobicContact CG-CH2 4.08Å; R117-W188 HydrophobicContact CG-CZ2 4.26Å; R117-W188 HydrophobicContact CG-CZ3 3.93Å
118	I	94	Very high	89	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.9	172.1	-62.9	174.1	0	0	0	108.7	S120 M135 I137 F181 L182 K185 W186	I118-S120 VanDerWaalsContact CG2-O 3.28Å; I118-S120 WeakPolarHBondContact CG2-O 3.12Å; I118-M135 HydrophobicContact CD1-CE 4.05Å; I118-M135 HydrophobicContact CD1-SD 3.71Å; I118-M135 HydrophobicContact CG1-SD 4.05Å; I118-M135 HydrophobicContact CG2-SD 3.82Å; I118-I137 HydrophobicContact CG1-CG1 4.33Å; I118-F181 HydrophobicContact CD1-CB 3.28Å; I118-F181 HydrophobicContact CD1-CG 4.35Å; I118-F181 HydrophobicContact CG1-CB 4.4Å; I118-L182 HydrophobicContact CD1-CD2 4.21Å; I118-K185 HydrophobicContact CG2-CG 4.35Å; I118-K185 WeakPolarHBondContact O-CG 3.29Å; I118-W186 PolarHBondContact O-N 2.79Å
119	T	95.2	Very high	89.2	Confident	13 Å²	13	53.2 Å²	53.2	8%	0.08	26%	0.262	C	S	.	.			trans	-114.5	-19.7	-175.1	55.5	0	0	0	0	113.6	R117 Q136 D138 K185 W186	R117-T119 HydrophobicContact CG-CG2 4.06Å; T119-Q136 PolarHBondContact N-O 3.42Å; T119-Q136 VanDerWaalsContact OG1-CB 3.31Å; T119-Q136 WeakPolarHBondContact OG1-CB 3.44Å; T119-Q136 PolarHBondContact OG1-O 2.66Å; T119-D138 HydrophobicContact CG2-CB 4.07Å; T119-D138 VanDerWaalsContact CG2-CG 3.43Å; T119-D138 VanDerWaalsContact CG2-OD2 3.32Å; T119-D138 WeakPolarHBondContact CG2-OD2 3.43Å; T119-K185 WeakPolarHBondContact O-CE 3.46Å; T119-W186 HydrophobicContact CG2-CE3 4.07Å; T119-W186 HydrophobicContact CG2-CH2 4.3Å; T119-W186 HydrophobicContact CG2-CZ3 3.61Å; T119-W186 WeakPolarHBondContact O-CH2 3.47Å; T119-W186 WeakPolarHBondContact O-CZ2 3.41Å
120	S	94	Very high	89.5	Confident	24 Å²	24	56.8 Å²	56.8	17%	0.168	27%	0.271	C	S	.	.	S	Bend	trans	-114.5	161.3	175.8	81.9	0	0	0	0	112.2	I118 M135 Q136 K185	I118-S120 VanDerWaalsContact CG2-O 3.28Å; I118-S120 WeakPolarHBondContact CG2-O 3.12Å; S120-M135 WeakPolarHBondContact OG-CA 3.42Å; S120-Q136 PolarHBondContact OG-N 3.15Å; S120-K185 VanDerWaalsContact C-CE 3.43Å
121	D	92.8	Very high	89.9	Confident	111 Å²	111	60.7 Å²	60.7	59%	0.594	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-71.8	157.7	160.3	-61.2	-47.8	0	0	0	109.1	D123 K185	D121-D123 PolarHBondContact O-N 2.87Å; D121-K185 IonicContact OD1-NZ 2.74Å; D121-K185 PolarHBondContact OD1-NZ 3.16Å; D121-K185 IonicContact OD2-NZ 2.95Å; D121-K185 PolarHBondContact OD2-NZ 3Å
122	P	92	Very high	90.2	Very high	50 Å²	50	60.8 Å²	60.8	33%	0.325	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-62	127.9	171.9	-24.8	36.1	0	0	0	111.9	S134 Y152 L182	P122-S134 WeakPolarHBondContact CA-O 3.39Å; P122-Y152 WeakPolarHBondContact CB-OH 3.25Å; P122-Y152 VanDerWaalsContact CG-OH 3.32Å; P122-Y152 WeakPolarHBondContact CG-OH 3.24Å; P122-L182 HydrophobicContact CG-CD1 4.19Å; P122-L182 HydrophobicContact CG-CD2 3.51Å
123	D	94	Very high	90.9	Very high	109 Å²	109	60.6 Å²	60.6	58%	0.583	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.8	167.1	-173.6	12.2	0	0	0	108.8	D121 C133 S134	D121-D123 PolarHBondContact O-N 2.87Å; D123-C133 CarbonylContact O-C 3.55Å; D123-C133 VanDerWaalsContact O-CA 3.27Å; D123-C133 WeakPolarHBondContact O-CA 3.47Å; D123-S134 PolarHBondContact N-O 2.99Å; D123-S134 PolarHBondContact O-N 2.87Å
124	C	93.9	Very high	91.3	Very high	51 Å²	51	61.3 Å²	61.3	35%	0.345	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123	-166.4	-64	0	0	0	0	112.7	W131 S132 C133	C124-W131 HydrophobicContact CB-CB 4.24Å; C124-S132 CarbonylContact C-O 3.55Å; C124-S132 VanDerWaalsContact CA-O 3.29Å; C124-S132 WeakPolarHBondContact CA-O 3.21Å; C124-C133 HydrophobicContact CB-CB 4.18Å; C124-C133 WeakPolarHBondContact CB-SG 3.43Å; C124-C133 WeakPolarHBondContact SG-CB 3.41Å; C124-C133 CovalentContact SG-SG 2.05Å; C124-C133 PolarHBondContact SG-SG 3.26Å
125	D	93.4	Very high	91.5	Very high	97 Å²	97	61.3 Å²	61.3	52%	0.519	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.5	170.4	-71	-47.5	0	0	0	110.5	Y127 W131 S132	D125-Y127 HydrophobicContact CB-CE2 3.83Å; D125-Y127 WeakPolarHBondContact O-CD2 3.44Å; D125-W131 CarbonylContact O-C 3.55Å; D125-W131 WeakPolarHBondContact O-CA 3.1Å; D125-S132 PolarHBondContact N-O 3.33Å; D125-S132 PolarHBondContact O-N 2.85Å
126	W	89.9	Confident	91.7	Very high	162 Å²	162	64.1 Å²	64.1	61%	0.614	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	138.5	177.1	-176.1	108.2	0	0	0	111.6	V128 W131	W126-V128 HydrophobicContact CH2-CB 3.89Å; W126-V128 HydrophobicContact CH2-CG1 4.49Å; W126-V128 HydrophobicContact CH2-CG2 3.59Å; W126-V128 VanDerWaalsContact CH2-N 3.25Å; W126-V128 HydrophobicContact CZ3-CB 4.34Å; W126-V128 HydrophobicContact CZ3-CG2 3.8Å; W126-W131 AromaticContact CD1-CD1 3.89Å; W126-W131 AromaticContact CD1-NE1 3.47Å
127	Y	86.1	Confident	91.8	Very high	97 Å²	97	64.1 Å²	64.1	38%	0.38	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	164.1	166.3	-66	-93.2	0	0	0	110.5	D125 W129 R130 W153	D125-Y127 HydrophobicContact CB-CE2 3.83Å; D125-Y127 WeakPolarHBondContact O-CD2 3.44Å; Y127-W129 PolarHBondContact O-N 3.33Å; Y127-R130 CarbonylContact C-O 3.42Å; Y127-R130 WeakPolarHBondContact CA-O 3.37Å; Y127-R130 WeakPolarHBondContact CB-O 3.5Å; Y127-R130 PolarHBondContact N-O 3.02Å; Y127-R130 PolarHBondContact O-N 3.07Å; Y127-W153 HydrophobicContact CD2-CH2 4.24Å; Y127-W153 AromaticContact CD2-CZ3 3.78Å; Y127-W153 HydrophobicContact CD2-CZ3 3.78Å; Y127-W153 HydrophobicContact CE2-CH2 4.39Å; Y127-W153 HydrophobicContact CE2-CZ3 4.25Å; Y127-W153 HydrophobicContact CG-CZ3 4.32Å
128	V	82.3	Confident	91.8	Very high	102 Å²	102	62.2 Å²	62.2	62%	0.618	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	110.7	-179.4	-173.7	0	0	0	0	109.9	W126	W126-V128 HydrophobicContact CH2-CB 3.89Å; W126-V128 HydrophobicContact CH2-CG1 4.49Å; W126-V128 HydrophobicContact CH2-CG2 3.59Å; W126-V128 VanDerWaalsContact CH2-N 3.25Å; W126-V128 HydrophobicContact CZ3-CB 4.34Å; W126-V128 HydrophobicContact CZ3-CG2 3.8Å
129	W	84.8	Confident	91.6	Very high	188 Å²	188	62.8 Å²	62.8	71%	0.712	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	5.7	-177.4	-51.7	112.4	0	0	0	118.6	Y127 I156	Y127-W129 PolarHBondContact O-N 3.33Å; W129-I156 HydrophobicContact CE3-CD1 4.28Å; W129-I156 HydrophobicContact CE3-CG2 4.28Å; W129-I156 HydrophobicContact CZ3-CD1 4.45Å; W129-I156 PolarHBondContact O-N 3.3Å
130	R	90.3	Very high	91.4	Very high	109 Å²	109	63.2 Å²	63.2	41%	0.411	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	153.1	-177.4	62.1	-172.5	179.4	-175.4	-1.7	112.3	Y127 W153 H154 L155	Y127-R130 CarbonylContact C-O 3.42Å; Y127-R130 WeakPolarHBondContact CA-O 3.37Å; Y127-R130 WeakPolarHBondContact CB-O 3.5Å; Y127-R130 PolarHBondContact N-O 3.02Å; Y127-R130 PolarHBondContact O-N 3.07Å; R130-W153 HydrophobicContact CB-CE3 4.28Å; R130-W153 HydrophobicContact CG-CE3 3.79Å; R130-W153 HydrophobicContact CG-CZ3 3.97Å; R130-H154 CarbonylContact C-O 3.58Å; R130-H154 WeakPolarHBondContact CA-O 3.49Å; R130-L155 HydrophobicContact CB-CD2 3.93Å
131	W	92.2	Very high	91	Very high	82 Å²	82	64.3 Å²	64.3	31%	0.311	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.1	167.6	-56.7	-82.1	0	0	0	110.3	C124 D125 W126 W153 H154	C124-W131 HydrophobicContact CB-CB 4.24Å; D125-W131 CarbonylContact O-C 3.55Å; D125-W131 WeakPolarHBondContact O-CA 3.1Å; W126-W131 AromaticContact CD1-CD1 3.89Å; W126-W131 AromaticContact CD1-NE1 3.47Å; W131-W153 CarbonylContact O-C 3.36Å; W131-W153 WeakPolarHBondContact O-CA 3.25Å; W131-H154 HydrophobicContact CB-CB 4.27Å; W131-H154 HydrophobicContact CE3-CB 4Å; W131-H154 AromaticContact CE3-CG 3.61Å; W131-H154 AromaticContact CE3-ND1 3.61Å; W131-H154 VanDerWaalsContact CE3-O 3.31Å; W131-H154 AromaticContact CZ3-CE1 3.89Å; W131-H154 AromaticContact CZ3-ND1 3.97Å; W131-H154 AromaticContact CZ3-NE2 3.95Å; W131-H154 PolarHBondContact N-O 3.05Å; W131-H154 PolarHBondContact O-N 2.87Å
132	S	93.6	Very high	90.4	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	108.6	166.3	174.3	0	0	0	0	108.1	C124 D125 W153 R163	C124-S132 CarbonylContact C-O 3.55Å; C124-S132 VanDerWaalsContact CA-O 3.29Å; C124-S132 WeakPolarHBondContact CA-O 3.21Å; D125-S132 PolarHBondContact N-O 3.33Å; D125-S132 PolarHBondContact O-N 2.85Å; S132-W153 VanDerWaalsContact CA-CZ3 3.46Å; S132-R163 WeakPolarHBondContact OG-CD 3.49Å; S132-R163 PolarHBondContact OG-NE 2.89Å; S132-R163 PolarHBondContact OG-NH1 2.79Å; S132-R163 PolarHBondContact OG-NH2 3.05Å
133	C	93.3	Very high	89.8	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	150.2	-178.6	-62.3	0	0	0	0	111.4	D123 C124 S151 Y152	D123-C133 CarbonylContact O-C 3.55Å; D123-C133 VanDerWaalsContact O-CA 3.27Å; D123-C133 WeakPolarHBondContact O-CA 3.47Å; C124-C133 HydrophobicContact CB-CB 4.18Å; C124-C133 WeakPolarHBondContact CB-SG 3.43Å; C124-C133 WeakPolarHBondContact SG-CB 3.41Å; C124-C133 CovalentContact SG-SG 2.05Å; C124-C133 PolarHBondContact SG-SG 3.26Å; C133-S151 CarbonylContact O-C 3.59Å; C133-S151 WeakPolarHBondContact O-CA 3.09Å; C133-Y152 HydrophobicContact CB-CD1 4.13Å; C133-Y152 HydrophobicContact CB-CD2 3.97Å; C133-Y152 HydrophobicContact CB-CE1 3.67Å; C133-Y152 HydrophobicContact CB-CE2 3.5Å; C133-Y152 VanDerWaalsContact CB-CE2 3.5Å; C133-Y152 HydrophobicContact CB-CG 4.28Å; C133-Y152 PolarHBondContact N-O 2.8Å; C133-Y152 PolarHBondContact O-N 3.07Å; C133-Y152 VanDerWaalsContact O-O 3.13Å
134	S	92.6	Very high	89.4	Confident	19 Å²	19	64 Å²	64	13%	0.133	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.5	167.8	70.2	0	0	0	0	111.4	P122 D123 Y150	P122-S134 WeakPolarHBondContact CA-O 3.39Å; D123-S134 PolarHBondContact N-O 2.99Å; D123-S134 PolarHBondContact O-N 2.87Å; S134-Y150 CarbonylContact C-O 3.56Å; S134-Y150 VanDerWaalsContact CA-O 3.22Å; S134-Y150 WeakPolarHBondContact CA-O 3.4Å
135	M	92.5	Very high	89.2	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.6	175.9	59.6	-177.6	156.1	0	0	111.5	I118 S120 I137 R149 Y150 Y152 L178 L182	I118-M135 HydrophobicContact CD1-CE 4.05Å; I118-M135 HydrophobicContact CD1-SD 3.71Å; I118-M135 HydrophobicContact CG1-SD 4.05Å; I118-M135 HydrophobicContact CG2-SD 3.82Å; S120-M135 WeakPolarHBondContact OG-CA 3.42Å; M135-I137 HydrophobicContact CG-CG1 4.44Å; M135-R149 CarbonylContact O-C 3.47Å; M135-R149 WeakPolarHBondContact O-CA 3.42Å; M135-Y150 HydrophobicContact CE-CD1 3.45Å; M135-Y150 VanDerWaalsContact CE-CD1 3.45Å; M135-Y150 HydrophobicContact CE-CE1 3.85Å; M135-Y150 HydrophobicContact CE-CG 4.39Å; M135-Y150 HydrophobicContact CG-CD1 4.37Å; M135-Y150 PolarHBondContact N-O 3.11Å; M135-Y150 PolarHBondContact O-N 3.24Å; M135-Y152 HydrophobicContact CE-CD1 4.19Å; M135-Y152 HydrophobicContact CE-CE1 3.76Å; M135-Y152 HydrophobicContact CG-CE1 4.46Å; M135-Y152 HydrophobicContact SD-CE1 4.37Å; M135-L178 HydrophobicContact CE-CD1 3.31Å; M135-L178 HydrophobicContact CE-CG 4.26Å; M135-L182 HydrophobicContact CE-CD2 4.33Å; M135-L182 HydrophobicContact SD-CD2 3.69Å
136	Q	93.4	Very high	89.1	Confident	64 Å²	64	64.7 Å²	64.7	30%	0.299	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	136.9	172.1	-66.3	175.4	-50.3	0	0	110.4	T119 S120 E147	T119-Q136 PolarHBondContact N-O 3.42Å; T119-Q136 VanDerWaalsContact OG1-CB 3.31Å; T119-Q136 WeakPolarHBondContact OG1-CB 3.44Å; T119-Q136 PolarHBondContact OG1-O 2.66Å; S120-Q136 PolarHBondContact OG-N 3.15Å; Q136-E147 HydrophobicContact CB-CG 4.49Å; Q136-E147 VanDerWaalsContact NE2-CD 3.34Å; Q136-E147 PolarHBondContact NE2-OE1 3.32Å; Q136-E147 PolarHBondContact NE2-OE2 3.08Å
137	I	93.5	Very high	89.2	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128	176.8	-61.3	-174.2	0	0	0	107.3	F116 R117 I118 M135 T139 Y148 Y150 L168	F116-I137 HydrophobicContact CB-CG2 3.78Å; F116-I137 HydrophobicContact CD2-CG2 3.93Å; F116-I137 HydrophobicContact CG-CG2 4.27Å; R117-I137 CarbonylContact O-C 3.57Å; R117-I137 VanDerWaalsContact O-CA 3.3Å; R117-I137 WeakPolarHBondContact O-CA 3.48Å; R117-I137 WeakPolarHBondContact O-CG2 3.44Å; I118-I137 HydrophobicContact CG1-CG1 4.33Å; M135-I137 HydrophobicContact CG-CG1 4.44Å; I137-T139 HydrophobicContact CG2-CG2 4.1Å; I137-Y148 PolarHBondContact N-O 2.79Å; I137-Y148 PolarHBondContact O-N 2.78Å; I137-Y150 VanDerWaalsContact CD1-CB 3.47Å; I137-Y150 HydrophobicContact CD1-CD2 4.27Å; I137-Y150 HydrophobicContact CD1-CG 3.87Å; I137-L168 HydrophobicContact CD1-CD2 4.11Å
138	D	93.9	Very high	89.4	Confident	22 Å²	22	61.4 Å²	61.4	12%	0.118	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	129	163.2	-71.6	-12.8	0	0	0	107.9	F116 R117 T119 I145 W188	F116-D138 CarbonylContact C-O 3.41Å; F116-D138 WeakPolarHBondContact CA-O 3.43Å; F116-D138 WeakPolarHBondContact CB-O 3.39Å; R117-D138 HydrophobicContact CG-CB 3.9Å; R117-D138 IonicContact CZ-OD2 2.92Å; R117-D138 PolarHBondContact N-O 3.22Å; R117-D138 IonicContact NE-OD2 3.46Å; R117-D138 PolarHBondContact NE-OD2 2.88Å; R117-D138 IonicContact NH2-OD2 2.78Å; R117-D138 PolarHBondContact NH2-OD2 3.32Å; R117-D138 PolarHBondContact O-N 2.64Å; T119-D138 HydrophobicContact CG2-CB 4.07Å; T119-D138 VanDerWaalsContact CG2-CG 3.43Å; T119-D138 VanDerWaalsContact CG2-OD2 3.32Å; T119-D138 WeakPolarHBondContact CG2-OD2 3.43Å; D138-I145 HydrophobicContact CB-CG2 4.21Å; D138-W188 HydrophobicContact CB-CH2 4.06Å; D138-W188 HydrophobicContact CB-CZ3 4.45Å
139	T	90.9	Very high	89.8	Confident	14 Å²	14	64.1 Å²	64.1	9%	0.086	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131	170.2	61.9	0	0	0	0	109.1	Y114 F115 F116 I137 I145 S146 W167	Y114-T139 VanDerWaalsContact OH-CG2 3.23Å; Y114-T139 WeakPolarHBondContact OH-CG2 3.42Å; F115-T139 CarbonylContact O-C 3.46Å; F115-T139 WeakPolarHBondContact O-CA 3.35Å; F116-T139 HydrophobicContact CB-CG2 4.21Å; I137-T139 HydrophobicContact CG2-CG2 4.1Å; T139-I145 CarbonylContact O-C 3.54Å; T139-I145 VanDerWaalsContact O-CA 3.3Å; T139-I145 WeakPolarHBondContact O-CA 3.41Å; T139-S146 PolarHBondContact N-O 2.99Å; T139-S146 PolarHBondContact O-N 3.47Å; T139-S146 PolarHBondContact OG1-O 2.91Å; T139-S146 VanDerWaalsContact OG1-O 3.08Å; T139-W167 HydrophobicContact CG2-CZ2 4.02Å
140	Y	89.4	Confident	90	Very high	22 Å²	22	55.2 Å²	55.2	9%	0.086	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.3	174.6	-172.6	-68.4	0	0	0	108.6	D61 H113 Y114 F115 G143 E144 I145	D61-Y140 HydrophobicContact CB-CE2 4.48Å; D61-Y140 VanDerWaalsContact CG-CZ 3.43Å; D61-Y140 PolarHBondContact OD1-OH 3.33Å; D61-Y140 WeakPolarHBondContact OD2-CE2 3.32Å; D61-Y140 VanDerWaalsContact OD2-CZ 3.24Å; D61-Y140 PolarHBondContact OD2-OH 3.03Å; H113-Y140 AromaticContact CE1-CE1 3.31Å; H113-Y140 WeakPolarHBondContact CE1-CE1 3.47Å; H113-Y140 AromaticContact CE1-CZ 3.89Å; H113-Y140 AromaticContact ND1-CE1 3.48Å; H113-Y140 WeakPolarHBondContact ND1-CE1 3.07Å; H113-Y140 AromaticContact NE2-CE1 3.9Å; Y114-Y140 WeakPolarHBondContact CA-O 3.49Å; F115-Y140 HydrophobicContact CD2-CD1 4.11Å; F115-Y140 HydrophobicContact CD2-CG 4.33Å; F115-Y140 HydrophobicContact CE2-CD1 4.48Å; F115-Y140 PolarHBondContact N-O 2.9Å; F115-Y140 PolarHBondContact O-N 3.26Å; Y140-G143 VanDerWaalsContact CE1-N 3.34Å; Y140-G143 WeakPolarHBondContact OH-CA 3.42Å; Y140-E144 CarbonylContact C-O 3.59Å; Y140-E144 WeakPolarHBondContact CA-O 3.46Å; Y140-I145 HydrophobicContact CD2-CD1 3.93Å; Y140-I145 HydrophobicContact CD2-CG1 3.4Å; Y140-I145 VanDerWaalsContact CD2-CG1 3.4Å; Y140-I145 HydrophobicContact CE2-CD1 4.4Å; Y140-I145 HydrophobicContact CE2-CG1 4.05Å; Y140-I145 HydrophobicContact CG-CG1 4.23Å
141	V	86.5	Confident	90	Very high	46 Å²	46	50.6 Å²	50.6	28%	0.279	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	120.9	178.8	-166.2	0	0	0	0	109.8	H113 Y114 G143 E144	H113-V141 WeakPolarHBondContact O-CA 3.34Å; Y114-V141 HydrophobicContact CD2-CG1 4.46Å; Y114-V141 HydrophobicContact CD2-CG2 3.51Å; Y114-V141 HydrophobicContact CE2-CG2 3.52Å; V141-G143 PolarHBondContact O-N 2.86Å; V141-E144 PolarHBondContact N-O 3.47Å; V141-E144 PolarHBondContact O-N 2.76Å
142	E	80.5	Confident	90	Very high	71 Å²	71	46.8 Å²	46.8	33%	0.332	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	33.6	171	-61.8	-172.5	163.5	0	0	115.5	Y78 G79 H113	Y78-E142 VanDerWaalsContact CD2-OE1 3.25Å; Y78-E142 WeakPolarHBondContact CD2-OE1 3.33Å; G79-E142 VanDerWaalsContact N-CG 3.28Å; G79-E142 PolarHBondContact N-OE1 3.07Å; H113-E142 PolarHBondContact O-N 2.03Å
143	G	79.5	Confident	89.9	Confident	47 Å²	47	48.5 Å²	48.5	49%	0.485	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.9	-14.2	-178.9	0	0	0	0	0	114.7	Y140 V141	Y140-G143 VanDerWaalsContact CE1-N 3.34Å; Y140-G143 WeakPolarHBondContact OH-CA 3.42Å; V141-G143 PolarHBondContact O-N 2.86Å
144	E	84.8	Confident	89.9	Confident	145 Å²	145	51 Å²	51	68%	0.678	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.5	-170.6	-62.4	-172.5	169.7	0	0	111.5	Y140 V141	Y140-E144 CarbonylContact C-O 3.59Å; Y140-E144 WeakPolarHBondContact CA-O 3.46Å; V141-E144 PolarHBondContact N-O 3.47Å; V141-E144 PolarHBondContact O-N 2.76Å
145	I	89.6	Confident	89.8	Confident	96 Å²	96	52.8 Å²	52.8	49%	0.492	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.1	170.8	-61.4	174.1	0	0	0	109	D138 T139 Y140	D138-I145 HydrophobicContact CB-CG2 4.21Å; T139-I145 CarbonylContact O-C 3.54Å; T139-I145 VanDerWaalsContact O-CA 3.3Å; T139-I145 WeakPolarHBondContact O-CA 3.41Å; Y140-I145 HydrophobicContact CD2-CD1 3.93Å; Y140-I145 HydrophobicContact CD2-CG1 3.4Å; Y140-I145 VanDerWaalsContact CD2-CG1 3.4Å; Y140-I145 HydrophobicContact CE2-CD1 4.4Å; Y140-I145 HydrophobicContact CE2-CG1 4.05Å; Y140-I145 HydrophobicContact CG-CG1 4.23Å
146	S	91.4	Very high	89.6	Confident	67 Å²	67	57.7 Å²	57.7	47%	0.469	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.1	172.5	-67.6	0	0	0	0	110.4	T139	T139-S146 PolarHBondContact N-O 2.99Å; T139-S146 PolarHBondContact O-N 3.47Å; T139-S146 PolarHBondContact OG1-O 2.91Å; T139-S146 VanDerWaalsContact OG1-O 3.08Å
147	E	92.6	Very high	89.4	Confident	127 Å²	127	59.7 Å²	59.7	59%	0.593	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.2	171.3	-170.5	-175.5	104.7	0	0	109.9	Q136	Q136-E147 HydrophobicContact CB-CG 4.49Å; Q136-E147 VanDerWaalsContact NE2-CD 3.34Å; Q136-E147 PolarHBondContact NE2-OE1 3.32Å; Q136-E147 PolarHBondContact NE2-OE2 3.08Å
148	Y	89.9	Confident	89.1	Confident	64 Å²	64	61.7 Å²	61.7	25%	0.251	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.6	176	178.3	-103.6	0	0	0	110.6	I137 Y150 G166	I137-Y148 PolarHBondContact N-O 2.79Å; I137-Y148 PolarHBondContact O-N 2.78Å; Y148-Y150 HydrophobicContact CE1-CD2 4.12Å; Y148-G166 VanDerWaalsContact OH-CA 3.27Å; Y148-G166 WeakPolarHBondContact OH-CA 3.1Å
149	R	90.7	Very high	88.9	Confident	158 Å²	158	62.5 Å²	62.5	60%	0.596	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.4	169.7	-175.4	176.1	-64.7	-168.4	-1.9	109.7	M135	M135-R149 CarbonylContact O-C 3.47Å; M135-R149 WeakPolarHBondContact O-CA 3.42Å
150	Y	89.3	Confident	88.9	Confident	1 Å²	1	63 Å²	63	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.1	177.9	-179.5	-92.9	0	0	0	110.9	S134 M135 I137 Y148 Y152 L168 L169 L178	S134-Y150 CarbonylContact C-O 3.56Å; S134-Y150 VanDerWaalsContact CA-O 3.22Å; S134-Y150 WeakPolarHBondContact CA-O 3.4Å; M135-Y150 HydrophobicContact CE-CD1 3.45Å; M135-Y150 VanDerWaalsContact CE-CD1 3.45Å; M135-Y150 HydrophobicContact CE-CE1 3.85Å; M135-Y150 HydrophobicContact CE-CG 4.39Å; M135-Y150 HydrophobicContact CG-CD1 4.37Å; M135-Y150 PolarHBondContact N-O 3.11Å; M135-Y150 PolarHBondContact O-N 3.24Å; I137-Y150 VanDerWaalsContact CD1-CB 3.47Å; I137-Y150 HydrophobicContact CD1-CD2 4.27Å; I137-Y150 HydrophobicContact CD1-CG 3.87Å; Y148-Y150 HydrophobicContact CE1-CD2 4.12Å; Y150-Y152 AromaticContact CD1-CD1 3.83Å; Y150-Y152 HydrophobicContact CD1-CD1 3.83Å; Y150-Y152 AromaticContact CE1-CD1 3.79Å; Y150-Y152 HydrophobicContact CE1-CD1 3.79Å; Y150-Y152 HydrophobicContact CE1-CG 4.29Å; Y150-L168 HydrophobicContact CD2-CB 4.07Å; Y150-L168 HydrophobicContact CD2-CD2 3.99Å; Y150-L168 HydrophobicContact CE2-CB 3.69Å; Y150-L168 HydrophobicContact CE2-CD2 3.66Å; Y150-L168 HydrophobicContact CE2-CG 3.97Å; Y150-L169 HydrophobicContact CE2-CD1 4.13Å; Y150-L169 HydrophobicContact CE2-CD2 4.09Å; Y150-L169 HydrophobicContact CE2-CG 3.56Å; Y150-L169 WeakPolarHBondContact OH-CD2 3.48Å; Y150-L169 WeakPolarHBondContact OH-CG 3.22Å; Y150-L178 HydrophobicContact CE1-CD1 3.77Å
151	S	90.6	Very high	88.8	Confident	12 Å²	12	63.6 Å²	63.6	8%	0.084	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.8	-178.7	-35.7	0	0	0	0	112.6	C133 D164 L169	C133-S151 CarbonylContact O-C 3.59Å; C133-S151 WeakPolarHBondContact O-CA 3.09Å; S151-D164 WeakPolarHBondContact CB-OD2 3.32Å; S151-D164 PolarHBondContact OG-OD2 3.12Å; S151-L169 WeakPolarHBondContact O-CD1 3.25Å
152	Y	91.8	Very high	88.7	Confident	3 Å²	3	63.2 Å²	63.2	1%	0.012	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	163.8	179.6	63.1	-84.5	0	0	0	111.5	P122 C133 M135 Y150 H154 F160 A161 L178	P122-Y152 WeakPolarHBondContact CB-OH 3.25Å; P122-Y152 VanDerWaalsContact CG-OH 3.32Å; P122-Y152 WeakPolarHBondContact CG-OH 3.24Å; C133-Y152 HydrophobicContact CB-CD1 4.13Å; C133-Y152 HydrophobicContact CB-CD2 3.97Å; C133-Y152 HydrophobicContact CB-CE1 3.67Å; C133-Y152 HydrophobicContact CB-CE2 3.5Å; C133-Y152 VanDerWaalsContact CB-CE2 3.5Å; C133-Y152 HydrophobicContact CB-CG 4.28Å; C133-Y152 PolarHBondContact N-O 2.8Å; C133-Y152 PolarHBondContact O-N 3.07Å; C133-Y152 VanDerWaalsContact O-O 3.13Å; M135-Y152 HydrophobicContact CE-CD1 4.19Å; M135-Y152 HydrophobicContact CE-CE1 3.76Å; M135-Y152 HydrophobicContact CG-CE1 4.46Å; M135-Y152 HydrophobicContact SD-CE1 4.37Å; Y150-Y152 AromaticContact CD1-CD1 3.83Å; Y150-Y152 HydrophobicContact CD1-CD1 3.83Å; Y150-Y152 AromaticContact CE1-CD1 3.79Å; Y150-Y152 HydrophobicContact CE1-CD1 3.79Å; Y150-Y152 HydrophobicContact CE1-CG 4.29Å; Y152-H154 HydrophobicContact CE2-CB 4.19Å; Y152-F160 AromaticContact CD2-CD1 3.95Å; Y152-F160 HydrophobicContact CD2-CD1 3.95Å; Y152-F160 AromaticContact CE2-CD1 3.8Å; Y152-F160 HydrophobicContact CE2-CD1 3.8Å; Y152-F160 HydrophobicContact CE2-CE1 4.15Å; Y152-A161 CarbonylContact C-O 3.5Å; Y152-A161 WeakPolarHBondContact CA-O 3.47Å; Y152-L178 HydrophobicContact CD1-CD2 3.75Å; Y152-L178 HydrophobicContact CD2-CD2 3.24Å; Y152-L178 HydrophobicContact CE1-CD2 3.82Å; Y152-L178 HydrophobicContact CE2-CD2 3.32Å; Y152-L178 HydrophobicContact CG-CD2 3.45Å; Y152-L178 VanDerWaalsContact CG-CD2 3.45Å
153	W	92.1	Very high	88.8	Confident	37 Å²	37	65.2 Å²	65.2	14%	0.14	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.4	167.8	-65.6	112.6	0	0	0	109.6	Y127 R130 W131 S132 L155 F160 A161 R163	Y127-W153 HydrophobicContact CD2-CH2 4.24Å; Y127-W153 AromaticContact CD2-CZ3 3.78Å; Y127-W153 HydrophobicContact CD2-CZ3 3.78Å; Y127-W153 HydrophobicContact CE2-CH2 4.39Å; Y127-W153 HydrophobicContact CE2-CZ3 4.25Å; Y127-W153 HydrophobicContact CG-CZ3 4.32Å; R130-W153 HydrophobicContact CB-CE3 4.28Å; R130-W153 HydrophobicContact CG-CE3 3.79Å; R130-W153 HydrophobicContact CG-CZ3 3.97Å; W131-W153 CarbonylContact O-C 3.36Å; W131-W153 WeakPolarHBondContact O-CA 3.25Å; S132-W153 VanDerWaalsContact CA-CZ3 3.46Å; W153-L155 HydrophobicContact CB-CD2 4.44Å; W153-F160 CarbonylContact O-C 3.55Å; W153-F160 VanDerWaalsContact O-CA 3.26Å; W153-F160 WeakPolarHBondContact O-CA 3.16Å; W153-A161 HydrophobicContact CB-CB 4.21Å; W153-A161 PolarHBondContact N-O 2.98Å; W153-A161 PolarHBondContact O-N 3.46Å; W153-R163 HydrophobicContact CD2-CG 4.48Å; W153-R163 HydrophobicContact CG-CB 4.38Å; W153-R163 HydrophobicContact CZ2-CG 3.87Å
154	H	92.3	Very high	88.3	Confident	52 Å²	52	65.9 Å²	65.9	24%	0.241	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115	165.4	-179.9	-170.5	0	0	0	107.7	R130 W131 Y152 F160	R130-H154 CarbonylContact C-O 3.58Å; R130-H154 WeakPolarHBondContact CA-O 3.49Å; W131-H154 HydrophobicContact CB-CB 4.27Å; W131-H154 HydrophobicContact CE3-CB 4Å; W131-H154 AromaticContact CE3-CG 3.61Å; W131-H154 AromaticContact CE3-ND1 3.61Å; W131-H154 VanDerWaalsContact CE3-O 3.31Å; W131-H154 AromaticContact CZ3-CE1 3.89Å; W131-H154 AromaticContact CZ3-ND1 3.97Å; W131-H154 AromaticContact CZ3-NE2 3.95Å; W131-H154 PolarHBondContact N-O 3.05Å; W131-H154 PolarHBondContact O-N 2.87Å; Y152-H154 HydrophobicContact CE2-CB 4.19Å; H154-F160 HydrophobicContact CB-CD1 4.16Å; H154-F160 HydrophobicContact CB-CE1 4.31Å; H154-F160 AromaticContact CD2-CE1 3.81Å; H154-F160 AromaticContact CG-CE1 3.9Å
155	L	91.2	Very high	87.4	Confident	58 Å²	58	62.6 Å²	62.6	30%	0.304	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	151.2	-178.4	-55.5	-175.5	0	0	0	109.9	R130 W153 T157 G158 S159	R130-L155 HydrophobicContact CB-CD2 3.93Å; W153-L155 HydrophobicContact CB-CD2 4.44Å; L155-T157 WeakPolarHBondContact CB-OG1 3.35Å; L155-T157 PolarHBondContact O-N 3.39Å; L155-G158 PolarHBondContact O-N 3.18Å; L155-S159 PolarHBondContact N-O 3.01Å
156	I	87.6	Confident	86.5	Confident	105 Å²	105	58.4 Å²	58.4	54%	0.538	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.9	176.2	-164.4	167.8	0	0	0	113.2	W129 G158	W129-I156 HydrophobicContact CE3-CD1 4.28Å; W129-I156 HydrophobicContact CE3-CG2 4.28Å; W129-I156 HydrophobicContact CZ3-CD1 4.45Å; W129-I156 PolarHBondContact O-N 3.3Å; I156-G158 PolarHBondContact O-N 2.91Å
157	T	88.8	Confident	85.8	Confident	107 Å²	107	57.8 Å²	57.8	66%	0.656	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.4	173.6	57.8	0	0	0	0	113.4	L155 S159	L155-T157 WeakPolarHBondContact CB-OG1 3.35Å; L155-T157 PolarHBondContact O-N 3.39Å; T157-S159 VanDerWaalsContact C-N 3.33Å; T157-S159 PolarHBondContact OG1-OG 2.8Å
158	G	87.7	Confident	85.1	Confident	41 Å²	41	51.8 Å²	51.8	42%	0.423	29%	0.292	S	S	.	.	S	Bend	trans	86.4	0.9	-172.6	0	0	0	0	0	114.1	L155 I156	L155-G158 PolarHBondContact O-N 3.18Å; I156-G158 PolarHBondContact O-N 2.91Å
159	S	91	Very high	84.4	Confident	39 Å²	39	49.9 Å²	49.9	27%	0.273	29%	0.286	S	S	.	.			trans	-84.2	159.2	178.3	-52.3	0	0	0	0	111.7	L155 T157 D175	L155-S159 PolarHBondContact N-O 3.01Å; T157-S159 VanDerWaalsContact C-N 3.33Å; T157-S159 PolarHBondContact OG1-OG 2.8Å; S159-D175 WeakPolarHBondContact CA-OD1 3.42Å; S159-D175 VanDerWaalsContact CB-OD1 3.29Å; S159-D175 WeakPolarHBondContact CB-OD1 3.3Å
160	F	90.4	Very high	83.8	Confident	25 Å²	25	46.4 Å²	46.4	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	149.7	175.7	-49.7	-78.5	0	0	0	111.6	Y152 W153 H154 P174 D175 L178 K179	Y152-F160 AromaticContact CD2-CD1 3.95Å; Y152-F160 HydrophobicContact CD2-CD1 3.95Å; Y152-F160 AromaticContact CE2-CD1 3.8Å; Y152-F160 HydrophobicContact CE2-CD1 3.8Å; Y152-F160 HydrophobicContact CE2-CE1 4.15Å; W153-F160 CarbonylContact O-C 3.55Å; W153-F160 VanDerWaalsContact O-CA 3.26Å; W153-F160 WeakPolarHBondContact O-CA 3.16Å; H154-F160 HydrophobicContact CB-CD1 4.16Å; H154-F160 HydrophobicContact CB-CE1 4.31Å; H154-F160 AromaticContact CD2-CE1 3.81Å; H154-F160 AromaticContact CG-CE1 3.9Å; F160-P174 HydrophobicContact CB-CB 3.9Å; F160-P174 HydrophobicContact CB-CG 4.37Å; F160-D175 PolarHBondContact N-OD1 2.59Å; F160-L178 HydrophobicContact CB-CB 4.47Å; F160-L178 HydrophobicContact CB-CD2 3.99Å; F160-L178 HydrophobicContact CD1-CD2 3.62Å; F160-L178 HydrophobicContact CD2-CB 3.96Å; F160-L178 HydrophobicContact CD2-CD2 4.45Å; F160-L178 HydrophobicContact CE1-CD2 4.18Å; F160-L178 HydrophobicContact CE2-CB 4.35Å; F160-L178 HydrophobicContact CG-CB 4.06Å; F160-L178 HydrophobicContact CG-CD2 3.75Å; F160-L178 HydrophobicContact CG-CG 4.48Å; F160-K179 HydrophobicContact CE2-CB 3.9Å; F160-K179 HydrophobicContact CZ-CB 4.3Å
161	A	87.2	Confident	83.2	Confident	34 Å²	34	47.9 Å²	47.9	28%	0.281	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.9	172.7	0	0	0	0	0	110.8	Y152 W153 P174	Y152-A161 CarbonylContact C-O 3.5Å; Y152-A161 WeakPolarHBondContact CA-O 3.47Å; W153-A161 HydrophobicContact CB-CB 4.21Å; W153-A161 PolarHBondContact N-O 2.98Å; W153-A161 PolarHBondContact O-N 3.46Å; A161-P174 VanDerWaalsContact C-CG 3.46Å
162	G	83.3	Confident	82.7	Confident	39 Å²	39	47.9 Å²	47.9	40%	0.402	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	136.8	176.5	0	0	0	0	0	111.6
163	R	82.8	Confident	82.2	Confident	113 Å²	113	51.8 Å²	51.8	43%	0.426	32%	0.318	S	S	.	.	S	Bend	trans	-98.4	-41.8	173.5	-179.8	175.5	-180	-144.7	9	111.8	S132 W153	S132-R163 WeakPolarHBondContact OG-CD 3.49Å; S132-R163 PolarHBondContact OG-NE 2.89Å; S132-R163 PolarHBondContact OG-NH1 2.79Å; S132-R163 PolarHBondContact OG-NH2 3.05Å; W153-R163 HydrophobicContact CD2-CG 4.48Å; W153-R163 HydrophobicContact CG-CB 4.38Å; W153-R163 HydrophobicContact CZ2-CG 3.87Å
164	D	68.9	Low	81.9	Confident	60 Å²	60	50.3 Å²	50.3	32%	0.321	31%	0.314	S	S	.	.	S	Bend	trans	-122.8	166.6	177.2	52.6	32.3	0	0	0	110.9	S151 G166 L169	S151-D164 WeakPolarHBondContact CB-OD2 3.32Å; S151-D164 PolarHBondContact OG-OD2 3.12Å; D164-G166 PolarHBondContact O-N 2.94Å; D164-G166 VanDerWaalsContact O-N 3.08Å; D164-L169 WeakPolarHBondContact O-CD1 3.06Å
165	G	65.9	Low	81.7	Confident	77 Å²	77	51.8 Å²	51.8	79%	0.794	32%	0.323	S	S	*	.			trans	-81.1	33.1	-179.6	0	0	0	0	0	113.3
166	G	71.2	Confident	81.5	Confident	7 Å²	7	54.2 Å²	54.2	7%	0.072	34%	0.336	C	S	.	.			trans	-52.4	148.6	-178.2	0	0	0	0	0	112.1	Y148 D164 L168 L169 A170	Y148-G166 VanDerWaalsContact OH-CA 3.27Å; Y148-G166 WeakPolarHBondContact OH-CA 3.1Å; D164-G166 PolarHBondContact O-N 2.94Å; D164-G166 VanDerWaalsContact O-N 3.08Å; G166-L168 PolarHBondContact O-N 3.35Å; G166-L168 VanDerWaalsContact O-N 3.16Å; G166-L169 WeakPolarHBondContact O-CA 3.24Å; G166-L169 WeakPolarHBondContact O-CB 3.07Å; G166-L169 PolarHBondContact O-N 3.37Å; G166-A170 PolarHBondContact O-N 3.23Å
167	W	76.3	Confident	81.4	Confident	55 Å²	55	52.4 Å²	52.4	21%	0.208	32%	0.323	C	S	.	.	H	α-helix	trans	-56.8	-36.9	-174.4	67.8	-91.6	0	0	0	112	I81 Y114 F116 T139 L169 A170 I171	I81-W167 HydrophobicContact CD1-CE3 4.41Å; I81-W167 HydrophobicContact CG2-CE3 3.67Å; I81-W167 HydrophobicContact CG2-CZ3 4.22Å; Y114-W167 HydrophobicContact CE1-CE3 4.45Å; Y114-W167 AromaticContact CE1-CH2 3.4Å; Y114-W167 HydrophobicContact CE1-CH2 3.4Å; Y114-W167 HydrophobicContact CE1-CZ2 4.23Å; Y114-W167 AromaticContact CE1-CZ3 3.51Å; Y114-W167 HydrophobicContact CE1-CZ3 3.51Å; Y114-W167 AromaticContact CZ-CH2 3.38Å; Y114-W167 AromaticContact CZ-CZ2 3.76Å; Y114-W167 AromaticContact CZ-CZ3 3.64Å; Y114-W167 WeakPolarHBondContact OH-CH2 3.24Å; Y114-W167 WeakPolarHBondContact OH-CZ2 3.17Å; Y114-W167 WeakPolarHBondContact OH-CZ3 3.36Å; F116-W167 HydrophobicContact CD1-CH2 4.09Å; F116-W167 HydrophobicContact CE1-CH2 4.39Å; F116-W167 HydrophobicContact CG-CH2 4.47Å; T139-W167 HydrophobicContact CG2-CZ2 4.02Å; W167-L169 VanDerWaalsContact C-N 3.32Å; W167-L169 PolarHBondContact O-N 2.92Å; W167-A170 WeakPolarHBondContact O-CB 3.49Å; W167-A170 PolarHBondContact O-N 2.79Å; W167-I171 HydrophobicContact CE3-CD1 3.63Å; W167-I171 HydrophobicContact CZ3-CD1 3.97Å; W167-I171 WeakPolarHBondContact O-CD1 3.21Å; W167-I171 VanDerWaalsContact O-CG1 3.3Å; W167-I171 WeakPolarHBondContact O-CG1 3.36Å; W167-I171 PolarHBondContact O-N 3.19Å
168	L	78.5	Confident	81.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.8	-35.1	177.4	-174.9	73.5	0	0	0	111.3	F116 I137 Y150 G166 I171 Y172 F181	F116-L168 HydrophobicContact CE1-CD1 3.91Å; F116-L168 HydrophobicContact CE2-CD1 4.31Å; F116-L168 HydrophobicContact CE2-CD2 4.19Å; F116-L168 HydrophobicContact CZ-CD1 3.72Å; F116-L168 HydrophobicContact CZ-CD2 4.36Å; I137-L168 HydrophobicContact CD1-CD2 4.11Å; Y150-L168 HydrophobicContact CD2-CB 4.07Å; Y150-L168 HydrophobicContact CD2-CD2 3.99Å; Y150-L168 HydrophobicContact CE2-CB 3.69Å; Y150-L168 HydrophobicContact CE2-CD2 3.66Å; Y150-L168 HydrophobicContact CE2-CG 3.97Å; G166-L168 PolarHBondContact O-N 3.35Å; G166-L168 VanDerWaalsContact O-N 3.16Å; L168-I171 PolarHBondContact O-N 3.23Å; L168-Y172 HydrophobicContact CD1-CD2 3.65Å; L168-Y172 HydrophobicContact CD1-CE2 4.22Å; L168-Y172 HydrophobicContact CG-CD2 4.49Å; L168-Y172 PolarHBondContact O-N 3.14Å; L168-F181 HydrophobicContact CD2-CE2 4.09Å
169	L	75.5	Confident	81.4	Confident	25 Å²	25	52 Å²	52	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-69.6	-32.6	173	-72.5	170.7	0	0	0	112.6	Y150 S151 D164 G166 W167 I171 Y172 P174	Y150-L169 HydrophobicContact CE2-CD1 4.13Å; Y150-L169 HydrophobicContact CE2-CD2 4.09Å; Y150-L169 HydrophobicContact CE2-CG 3.56Å; Y150-L169 WeakPolarHBondContact OH-CD2 3.48Å; Y150-L169 WeakPolarHBondContact OH-CG 3.22Å; S151-L169 WeakPolarHBondContact O-CD1 3.25Å; D164-L169 WeakPolarHBondContact O-CD1 3.06Å; G166-L169 WeakPolarHBondContact O-CA 3.24Å; G166-L169 WeakPolarHBondContact O-CB 3.07Å; G166-L169 PolarHBondContact O-N 3.37Å; W167-L169 VanDerWaalsContact C-N 3.32Å; W167-L169 PolarHBondContact O-N 2.92Å; L169-I171 PolarHBondContact O-N 3.03Å; L169-Y172 WeakPolarHBondContact CA-O 3.33Å; L169-P174 HydrophobicContact CD2-CB 3.98Å; L169-P174 HydrophobicContact CD2-CG 3.4Å
170	A	77	Confident	81.4	Confident	84 Å²	84	53.5 Å²	53.5	69%	0.694	30%	0.301	S	S	*	.	H	α-helix	trans	-68.1	-21.6	176.1	0	0	0	0	0	112.6	G166 W167	G166-A170 PolarHBondContact O-N 3.23Å; W167-A170 WeakPolarHBondContact O-CB 3.49Å; W167-A170 PolarHBondContact O-N 2.79Å
171	I	78.2	Confident	81.3	Confident	33 Å²	33	52.5 Å²	52.5	17%	0.169	30%	0.296	C	S	.	.	H	α-helix	trans	-103.6	-40.8	-177.3	-61.4	167.8	0	0	0	111.2	I81 W167 L168 L169 P203	I81-I171 HydrophobicContact CG2-CD1 3.11Å; I81-I171 HydrophobicContact CG2-CG1 4.43Å; W167-I171 HydrophobicContact CE3-CD1 3.63Å; W167-I171 HydrophobicContact CZ3-CD1 3.97Å; W167-I171 WeakPolarHBondContact O-CD1 3.21Å; W167-I171 VanDerWaalsContact O-CG1 3.3Å; W167-I171 WeakPolarHBondContact O-CG1 3.36Å; W167-I171 PolarHBondContact O-N 3.19Å; L168-I171 PolarHBondContact O-N 3.23Å; L169-I171 PolarHBondContact O-N 3.03Å; I171-P203 HydrophobicContact CG2-CB 3.56Å; I171-P203 HydrophobicContact CG2-CG 3.54Å
172	Y	78.7	Confident	81.3	Confident	11 Å²	11	53 Å²	53	4%	0.043	29%	0.294	C	S	.	.	S	Bend	trans	-130.3	125.4	-173.7	-59.3	-68.8	0	0	0	110.7	L168 L169 Y177 H191 P203 A205 L206	L168-Y172 HydrophobicContact CD1-CD2 3.65Å; L168-Y172 HydrophobicContact CD1-CE2 4.22Å; L168-Y172 HydrophobicContact CG-CD2 4.49Å; L168-Y172 PolarHBondContact O-N 3.14Å; L169-Y172 WeakPolarHBondContact CA-O 3.33Å; Y172-Y177 AromaticContact CD1-CD2 3.94Å; Y172-Y177 HydrophobicContact CD1-CD2 3.94Å; Y172-Y177 AromaticContact CD1-CE2 3.54Å; Y172-Y177 HydrophobicContact CD1-CE2 3.54Å; Y172-Y177 HydrophobicContact CE1-CE2 4.34Å; Y172-Y177 HydrophobicContact CG-CD2 4.21Å; Y172-Y177 HydrophobicContact CG-CE2 4.26Å; Y172-H191 AromaticContact CE2-CD2 3.78Å; Y172-H191 AromaticContact CZ-CD2 3.64Å; Y172-H191 PolarHBondContact OH-CD2 2.83Å; Y172-H191 PolarHBondContact OH-NE2 3.05Å; Y172-P203 HydrophobicContact CE1-CB 4.33Å; Y172-A205 PolarHBondContact OH-O 2.95Å; Y172-L206 HydrophobicContact CD1-CD1 4.26Å; Y172-L206 HydrophobicContact CD2-CD1 3.62Å; Y172-L206 HydrophobicContact CD2-CG 4.3Å; Y172-L206 HydrophobicContact CE1-CD1 4.09Å; Y172-L206 HydrophobicContact CE1-CG 4.01Å; Y172-L206 HydrophobicContact CE2-CD1 3.39Å; Y172-L206 HydrophobicContact CE2-CD2 3.81Å; Y172-L206 HydrophobicContact CE2-CG 3.58Å; Y172-L206 HydrophobicContact CG-CD1 4.02Å; Y172-L206 VanDerWaalsContact CZ-CG 3.41Å; Y172-L206 WeakPolarHBondContact OH-CG 3.02Å
173	N	82.6	Confident	81.7	Confident	86 Å²	86	56.8 Å²	56.8	46%	0.46	31%	0.305	S	S	.	.			trans	-66.8	130.3	169.6	-171.7	-37.3	0	0	0	108.4	D175 D176	N173-D175 PolarHBondContact O-N 3.25Å; N173-D175 PolarHBondContact OD1-N 3.49Å; N173-D175 VanDerWaalsContact OD1-N 3.12Å; N173-D176 WeakPolarHBondContact CB-OD2 3.29Å; N173-D176 WeakPolarHBondContact O-CB 3.48Å; N173-D176 PolarHBondContact O-N 3.21Å
174	P	85.3	Confident	82.1	Confident	6 Å²	6	54.6 Å²	54.6	4%	0.039	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-27.8	-175.1	20.5	-28.1	0	0	0	112.1	F160 A161 L169 D176 Y177 L178	F160-P174 HydrophobicContact CB-CB 3.9Å; F160-P174 HydrophobicContact CB-CG 4.37Å; A161-P174 VanDerWaalsContact C-CG 3.46Å; L169-P174 HydrophobicContact CD2-CB 3.98Å; L169-P174 HydrophobicContact CD2-CG 3.4Å; P174-D176 PolarHBondContact O-N 3.48Å; P174-Y177 PolarHBondContact O-N 2.8Å; P174-L178 HydrophobicContact CB-CB 4.15Å; P174-L178 HydrophobicContact CB-CD2 4.05Å; P174-L178 WeakPolarHBondContact O-CB 3.35Å; P174-L178 PolarHBondContact O-N 3.47Å
175	D	88.2	Confident	83.2	Confident	82 Å²	82	54.3 Å²	54.3	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-61.4	-28.6	176.6	-151.2	52.1	0	0	0	112.5	S159 F160 N173	S159-D175 WeakPolarHBondContact CA-OD1 3.42Å; S159-D175 VanDerWaalsContact CB-OD1 3.29Å; S159-D175 WeakPolarHBondContact CB-OD1 3.3Å; F160-D175 PolarHBondContact N-OD1 2.59Å; N173-D175 PolarHBondContact O-N 3.25Å; N173-D175 PolarHBondContact OD1-N 3.49Å; N173-D175 VanDerWaalsContact OD1-N 3.12Å
176	D	86.2	Confident	84.4	Confident	109 Å²	109	57.6 Å²	57.6	58%	0.583	28%	0.281	S	S	*	.	H	α-helix	trans	-77.8	-27.5	-176.5	-64.2	-27.9	0	0	0	113	N173 P174	N173-D176 WeakPolarHBondContact CB-OD2 3.29Å; N173-D176 WeakPolarHBondContact O-CB 3.48Å; N173-D176 PolarHBondContact O-N 3.21Å; P174-D176 PolarHBondContact O-N 3.48Å
177	Y	86.2	Confident	85.4	Confident	67 Å²	67	59.5 Å²	59.5	26%	0.263	29%	0.291	S	S	.	.	H	α-helix	trans	-139.8	-17.2	-167.4	-58.8	-86.9	0	0	0	116	Y172 P174 K179 W180 F181	Y172-Y177 AromaticContact CD1-CD2 3.94Å; Y172-Y177 HydrophobicContact CD1-CD2 3.94Å; Y172-Y177 AromaticContact CD1-CE2 3.54Å; Y172-Y177 HydrophobicContact CD1-CE2 3.54Å; Y172-Y177 HydrophobicContact CE1-CE2 4.34Å; Y172-Y177 HydrophobicContact CG-CD2 4.21Å; Y172-Y177 HydrophobicContact CG-CE2 4.26Å; P174-Y177 PolarHBondContact O-N 2.8Å; Y177-K179 PolarHBondContact O-N 2.98Å; Y177-W180 WeakPolarHBondContact O-CB 3.4Å; Y177-W180 PolarHBondContact O-N 2.9Å; Y177-F181 HydrophobicContact CD1-CE1 4.38Å; Y177-F181 HydrophobicContact CD1-CZ 4.43Å; Y177-F181 HydrophobicContact CG-CE1 4.29Å; Y177-F181 AromaticContact CG-CZ 3.94Å; Y177-F181 HydrophobicContact CG-CZ 3.94Å; Y177-F181 WeakPolarHBondContact O-CG 3.39Å; Y177-F181 PolarHBondContact O-N 3.38Å
178	L	88.3	Confident	86.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-42.4	-164.6	-162.8	66.1	0	0	0	113.1	M135 Y150 Y152 F160 P174 W180 F181 L182	M135-L178 HydrophobicContact CE-CD1 3.31Å; M135-L178 HydrophobicContact CE-CG 4.26Å; Y150-L178 HydrophobicContact CE1-CD1 3.77Å; Y152-L178 HydrophobicContact CD1-CD2 3.75Å; Y152-L178 HydrophobicContact CD2-CD2 3.24Å; Y152-L178 HydrophobicContact CE1-CD2 3.82Å; Y152-L178 HydrophobicContact CE2-CD2 3.32Å; Y152-L178 HydrophobicContact CG-CD2 3.45Å; Y152-L178 VanDerWaalsContact CG-CD2 3.45Å; F160-L178 HydrophobicContact CB-CB 4.47Å; F160-L178 HydrophobicContact CB-CD2 3.99Å; F160-L178 HydrophobicContact CD1-CD2 3.62Å; F160-L178 HydrophobicContact CD2-CB 3.96Å; F160-L178 HydrophobicContact CD2-CD2 4.45Å; F160-L178 HydrophobicContact CE1-CD2 4.18Å; F160-L178 HydrophobicContact CE2-CB 4.35Å; F160-L178 HydrophobicContact CG-CB 4.06Å; F160-L178 HydrophobicContact CG-CD2 3.75Å; F160-L178 HydrophobicContact CG-CG 4.48Å; P174-L178 HydrophobicContact CB-CB 4.15Å; P174-L178 HydrophobicContact CB-CD2 4.05Å; P174-L178 WeakPolarHBondContact O-CB 3.35Å; P174-L178 PolarHBondContact O-N 3.47Å; L178-W180 VanDerWaalsContact C-N 3.28Å; L178-W180 PolarHBondContact O-N 3.17Å; L178-F181 HydrophobicContact CD1-CD2 4.15Å; L178-F181 PolarHBondContact O-N 3.35Å; L178-L182 HydrophobicContact CG-CD1 4.37Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 3.45Å; L178-L182 PolarHBondContact O-N 3.33Å
179	K	88.4	Confident	86.8	Confident	140 Å²	140	60 Å²	60	61%	0.609	29%	0.293	S	S	*	.	H	α-helix	trans	-55.7	-46	173.7	-177.6	171.4	-177.6	168.8	0	111.5	F160 Y177 F181 L182 D183	F160-K179 HydrophobicContact CE2-CB 3.9Å; F160-K179 HydrophobicContact CZ-CB 4.3Å; Y177-K179 PolarHBondContact O-N 2.98Å; K179-F181 VanDerWaalsContact C-N 3.34Å; K179-F181 PolarHBondContact O-N 3.4Å; K179-L182 PolarHBondContact O-N 3.4Å; K179-D183 VanDerWaalsContact O-CG 3.31Å; K179-D183 PolarHBondContact O-N 3.04Å; K179-D183 VanDerWaalsContact O-N 3.1Å
180	W	90.8	Very high	87.5	Confident	71 Å²	71	58.8 Å²	58.8	27%	0.269	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-37.3	-179.8	179.9	86.5	0	0	0	112.3	Y177 L178 R184 L189 L206 E208	Y177-W180 WeakPolarHBondContact O-CB 3.4Å; Y177-W180 PolarHBondContact O-N 2.9Å; L178-W180 VanDerWaalsContact C-N 3.28Å; L178-W180 PolarHBondContact O-N 3.17Å; W180-R184 VanDerWaalsContact CE2-CD 3.44Å; W180-R184 VanDerWaalsContact CZ2-CD 3.42Å; W180-R184 WeakPolarHBondContact O-CD 3.35Å; W180-L189 HydrophobicContact CH2-CD2 3.58Å; W180-L189 HydrophobicContact CZ3-CD1 4.02Å; W180-L189 HydrophobicContact CZ3-CD2 3.71Å; W180-L189 HydrophobicContact CZ3-CG 4.47Å; W180-L206 HydrophobicContact CZ3-CB 4.42Å; W180-E208 HydrophobicContact CH2-CG 4.26Å; W180-E208 HydrophobicContact CZ2-CG 4.19Å
181	F	87.5	Confident	88	Confident	3 Å²	3	55 Å²	55	1%	0.013	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-43.4	174.4	-54.7	-27.7	0	0	0	112.4	F116 I118 L168 Y177 L178 K179 D183 R184 K185 L189 L206	F116-F181 HydrophobicContact CE2-CD2 4.44Å; F116-F181 HydrophobicContact CE2-CE2 4.39Å; F116-F181 HydrophobicContact CZ-CE1 4.34Å; F116-F181 HydrophobicContact CZ-CE2 4.26Å; F116-F181 HydrophobicContact CZ-CZ 4.11Å; I118-F181 HydrophobicContact CD1-CB 3.28Å; I118-F181 HydrophobicContact CD1-CG 4.35Å; I118-F181 HydrophobicContact CG1-CB 4.4Å; L168-F181 HydrophobicContact CD2-CE2 4.09Å; Y177-F181 HydrophobicContact CD1-CE1 4.38Å; Y177-F181 HydrophobicContact CD1-CZ 4.43Å; Y177-F181 HydrophobicContact CG-CE1 4.29Å; Y177-F181 AromaticContact CG-CZ 3.94Å; Y177-F181 HydrophobicContact CG-CZ 3.94Å; Y177-F181 WeakPolarHBondContact O-CG 3.39Å; Y177-F181 PolarHBondContact O-N 3.38Å; L178-F181 HydrophobicContact CD1-CD2 4.15Å; L178-F181 PolarHBondContact O-N 3.35Å; K179-F181 VanDerWaalsContact C-N 3.34Å; K179-F181 PolarHBondContact O-N 3.4Å; F181-D183 VanDerWaalsContact C-N 3.26Å; F181-D183 PolarHBondContact O-N 3.45Å; F181-R184 CarbonylContact O-C 3.56Å; F181-R184 VanDerWaalsContact O-C 3.28Å; F181-R184 WeakPolarHBondContact O-CA 3.1Å; F181-R184 PolarHBondContact O-N 2.88Å; F181-K185 PolarHBondContact O-N 3.01Å; F181-L189 HydrophobicContact CB-CD1 4.28Å; F181-L189 HydrophobicContact CD1-CD1 3.34Å; F181-L189 HydrophobicContact CE1-CD1 3.87Å; F181-L189 HydrophobicContact CG-CD1 3.95Å; F181-L206 HydrophobicContact CE1-CB 4.31Å; F181-L206 HydrophobicContact CE1-CD1 3.47Å; F181-L206 VanDerWaalsContact CE1-CD1 3.47Å; F181-L206 HydrophobicContact CE2-CD1 4.25Å; F181-L206 HydrophobicContact CZ-CD1 3.14Å
182	L	88.3	Confident	88.4	Confident	46 Å²	46	53.8 Å²	53.8	24%	0.241	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-38.1	-178.9	-70	173.1	0	0	0	111.3	I118 P122 M135 L178 K179 R184 K185	I118-L182 HydrophobicContact CD1-CD2 4.21Å; P122-L182 HydrophobicContact CG-CD1 4.19Å; P122-L182 HydrophobicContact CG-CD2 3.51Å; M135-L182 HydrophobicContact CE-CD2 4.33Å; M135-L182 HydrophobicContact SD-CD2 3.69Å; L178-L182 HydrophobicContact CG-CD1 4.37Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 3.45Å; L178-L182 PolarHBondContact O-N 3.33Å; K179-L182 PolarHBondContact O-N 3.4Å; L182-R184 PolarHBondContact O-N 2.89Å; L182-K185 PolarHBondContact O-N 2.99Å
183	D	91.5	Very high	88.7	Confident	118 Å²	118	53.2 Å²	53.2	63%	0.631	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.3	173.7	-65.8	-21.2	0	0	0	113	K179 F181	K179-D183 VanDerWaalsContact O-CG 3.31Å; K179-D183 PolarHBondContact O-N 3.04Å; K179-D183 VanDerWaalsContact O-N 3.1Å; F181-D183 VanDerWaalsContact C-N 3.26Å; F181-D183 PolarHBondContact O-N 3.45Å
184	R	90.8	Very high	88.8	Confident	66 Å²	66	49.3 Å²	49.3	25%	0.249	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	32.9	-176.1	-74.2	168.2	171.5	65.5	7.9	112.9	W180 F181 L182 W186 V187 E208	W180-R184 VanDerWaalsContact CE2-CD 3.44Å; W180-R184 VanDerWaalsContact CZ2-CD 3.42Å; W180-R184 WeakPolarHBondContact O-CD 3.35Å; F181-R184 CarbonylContact O-C 3.56Å; F181-R184 VanDerWaalsContact O-C 3.28Å; F181-R184 WeakPolarHBondContact O-CA 3.1Å; F181-R184 PolarHBondContact O-N 2.88Å; L182-R184 PolarHBondContact O-N 2.89Å; R184-W186 PolarHBondContact O-N 2.94Å; R184-V187 HydrophobicContact CB-CB 4.19Å; R184-V187 HydrophobicContact CB-CG2 4.21Å; R184-V187 VanDerWaalsContact O-CB 3.32Å; R184-V187 WeakPolarHBondContact O-CB 3.47Å; R184-V187 WeakPolarHBondContact O-CG2 3.34Å; R184-V187 PolarHBondContact O-N 2.95Å; R184-E208 WeakPolarHBondContact CD-OE1 3.4Å; R184-E208 IonicContact CZ-OE1 2.66Å; R184-E208 IonicContact NE-OE1 3.33Å; R184-E208 PolarHBondContact NE-OE1 3.12Å; R184-E208 IonicContact NH2-OE1 3.18Å; R184-E208 PolarHBondContact NH2-OE1 3.22Å
185	K	91.1	Very high	88.7	Confident	54 Å²	54	49 Å²	49	24%	0.235	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	138	173.4	-165.8	-176	-179.7	177.6	0	110.6	I118 T119 S120 D121 F181 L182 V187	I118-K185 HydrophobicContact CG2-CG 4.35Å; I118-K185 WeakPolarHBondContact O-CG 3.29Å; T119-K185 WeakPolarHBondContact O-CE 3.46Å; S120-K185 VanDerWaalsContact C-CE 3.43Å; D121-K185 IonicContact OD1-NZ 2.74Å; D121-K185 PolarHBondContact OD1-NZ 3.16Å; D121-K185 IonicContact OD2-NZ 2.95Å; D121-K185 PolarHBondContact OD2-NZ 3Å; F181-K185 PolarHBondContact O-N 3.01Å; L182-K185 PolarHBondContact O-N 2.99Å; K185-V187 PolarHBondContact O-N 2.81Å
186	W	92.3	Very high	88.4	Confident	146 Å²	146	46.7 Å²	46.7	55%	0.553	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	-2.4	-176	-51.7	109	0	0	0	117.2	I118 T119 R184	I118-W186 PolarHBondContact O-N 2.79Å; T119-W186 HydrophobicContact CG2-CE3 4.07Å; T119-W186 HydrophobicContact CG2-CH2 4.3Å; T119-W186 HydrophobicContact CG2-CZ3 3.61Å; T119-W186 WeakPolarHBondContact O-CH2 3.47Å; T119-W186 WeakPolarHBondContact O-CZ2 3.41Å; R184-W186 PolarHBondContact O-N 2.94Å
187	V	92.4	Very high	87.9	Confident	47 Å²	47	47 Å²	47	29%	0.285	20%	0.204	S	C	.	.			trans	-88	133	175.7	-176	0	0	0	0	110.3	R117 R184 K185 L189 E208	R117-V187 WeakPolarHBondContact CB-O 3.15Å; R184-V187 HydrophobicContact CB-CB 4.19Å; R184-V187 HydrophobicContact CB-CG2 4.21Å; R184-V187 VanDerWaalsContact O-CB 3.32Å; R184-V187 WeakPolarHBondContact O-CB 3.47Å; R184-V187 WeakPolarHBondContact O-CG2 3.34Å; R184-V187 PolarHBondContact O-N 2.95Å; K185-V187 PolarHBondContact O-N 2.81Å; V187-L189 PolarHBondContact O-N 2.98Å; V187-E208 HydrophobicContact CG1-CB 4.12Å; V187-E208 HydrophobicContact CG1-CG 3.82Å
188	W	91.8	Very high	87.5	Confident	64 Å²	64	49.9 Å²	49.9	24%	0.242	22%	0.224	C	C	.	.			trans	-72	124.4	172.4	-73.4	113	0	0	0	111.2	F115 R117 D138 C209	F115-W188 HydrophobicContact CB-CD2 4.46Å; F115-W188 HydrophobicContact CB-CE3 3.65Å; F115-W188 HydrophobicContact CB-CZ3 4.12Å; R117-W188 HydrophobicContact CB-CD2 4.24Å; R117-W188 HydrophobicContact CB-CE3 4.03Å; R117-W188 HydrophobicContact CB-CZ3 4.42Å; R117-W188 HydrophobicContact CG-CD2 4.16Å; R117-W188 HydrophobicContact CG-CE3 3.96Å; R117-W188 HydrophobicContact CG-CH2 4.08Å; R117-W188 HydrophobicContact CG-CZ2 4.26Å; R117-W188 HydrophobicContact CG-CZ3 3.93Å; D138-W188 HydrophobicContact CB-CH2 4.06Å; D138-W188 HydrophobicContact CB-CZ3 4.45Å; W188-C209 HydrophobicContact CB-CB 4.19Å; W188-C209 WeakPolarHBondContact O-CB 3.41Å; W188-C209 PolarHBondContact O-N 3.36Å; W188-C209 PolarHBondContact O-SG 3.35Å
189	L	91.5	Very high	86.9	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.4	178.6	-57.2	-179.1	0	0	0	110	F115 F116 W180 F181 V187 N207 E208	F115-L189 VanDerWaalsContact CA-O 3.29Å; F115-L189 WeakPolarHBondContact CA-O 3.48Å; F116-L189 HydrophobicContact CD1-CB 4.33Å; F116-L189 HydrophobicContact CD2-CB 4.48Å; F116-L189 HydrophobicContact CD2-CD1 4.35Å; F116-L189 HydrophobicContact CE1-CB 4.02Å; F116-L189 HydrophobicContact CE2-CB 4.17Å; F116-L189 HydrophobicContact CE2-CD1 3.61Å; F116-L189 HydrophobicContact CE2-CG 4.41Å; F116-L189 HydrophobicContact CZ-CB 3.93Å; F116-L189 HydrophobicContact CZ-CD1 3.81Å; F116-L189 PolarHBondContact N-O 2.78Å; F116-L189 WeakPolarHBondContact O-CB 3.09Å; F116-L189 PolarHBondContact O-N 2.87Å; W180-L189 HydrophobicContact CH2-CD2 3.58Å; W180-L189 HydrophobicContact CZ3-CD1 4.02Å; W180-L189 HydrophobicContact CZ3-CD2 3.71Å; W180-L189 HydrophobicContact CZ3-CG 4.47Å; F181-L189 HydrophobicContact CB-CD1 4.28Å; F181-L189 HydrophobicContact CD1-CD1 3.34Å; F181-L189 HydrophobicContact CE1-CD1 3.87Å; F181-L189 HydrophobicContact CG-CD1 3.95Å; V187-L189 PolarHBondContact O-N 2.98Å; L189-N207 CarbonylContact C-O 3.49Å; L189-N207 WeakPolarHBondContact CA-O 3.43Å; L189-E208 HydrophobicContact CD2-CG 4.15Å
190	C	89.7	Confident	86.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.6	-175.7	-84.2	0	0	0	0	110.8	F115 N207 C209 L212	F115-C190 HydrophobicContact CD1-CB 4.22Å; F115-C190 WeakPolarHBondContact CD1-SG 3.3Å; F115-C190 HydrophobicContact CE1-CB 4.46Å; F115-C190 WeakPolarHBondContact CE1-SG 3.32Å; C190-N207 PolarHBondContact N-O 2.83Å; C190-N207 PolarHBondContact O-N 3.39Å; C190-C209 WeakPolarHBondContact CA-SG 3.32Å; C190-C209 HydrophobicContact CB-CB 4.1Å; C190-C209 WeakPolarHBondContact CB-SG 3.32Å; C190-C209 PolarHBondContact N-SG 3.26Å; C190-C209 WeakPolarHBondContact SG-CA 3.34Å; C190-C209 WeakPolarHBondContact SG-CB 3.42Å; C190-C209 CovalentContact SG-SG 2.03Å; C190-C209 PolarHBondContact SG-SG 3.18Å; C190-L212 HydrophobicContact CB-CD2 3.64Å
191	H	87.3	Confident	86.1	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.3	172.8	-179	-83.9	0	0	0	111.4	I81 H111 Y114 Y172 P203 L206	I81-H191 PolarHBondContact O-CE1 3.32Å; I81-H191 PolarHBondContact O-NE2 3.37Å; H111-H191 VanDerWaalsContact CB-O 3.25Å; H111-H191 WeakPolarHBondContact CB-O 3.44Å; Y114-H191 HydrophobicContact CD1-CB 4.06Å; Y172-H191 AromaticContact CE2-CD2 3.78Å; Y172-H191 AromaticContact CZ-CD2 3.64Å; Y172-H191 PolarHBondContact OH-CD2 2.83Å; Y172-H191 PolarHBondContact OH-NE2 3.05Å; H191-P203 WeakPolarHBondContact NE2-CB 3.29Å; H191-L206 HydrophobicContact CB-CD2 4.25Å
192	I	87.1	Confident	85.7	Confident	8 Å²	8	49.1 Å²	49.1	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.5	171	-50.7	-177.2	0	0	0	108.3	G110 F204 A205 N207 L212	G110-I192 CarbonylContact O-C 3.51Å; G110-I192 WeakPolarHBondContact O-CA 3.01Å; I192-F204 HydrophobicContact CG2-CB 4.43Å; I192-F204 HydrophobicContact CG2-CD1 4.07Å; I192-F204 WeakPolarHBondContact O-CA 3.2Å; I192-F204 WeakPolarHBondContact O-CB 3.44Å; I192-F204 PolarHBondContact O-N 3.2Å; I192-A205 PolarHBondContact N-O 2.8Å; I192-A205 PolarHBondContact O-N 3.08Å; I192-N207 HydrophobicContact CD1-CB 4.46Å; I192-N207 WeakPolarHBondContact CD1-ND2 2.94Å; I192-L212 HydrophobicContact CD1-CD1 3.41Å; I192-L212 VanDerWaalsContact CD1-CD1 3.41Å; I192-L212 HydrophobicContact CD1-CD2 3.96Å; I192-L212 HydrophobicContact CD1-CG 4.3Å; I192-L212 HydrophobicContact CG1-CD1 4.18Å; I192-L212 HydrophobicContact CG1-CD2 3.83Å
193	C	85.3	Confident	85.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	154.9	165.3	70.3	0	0	0	0	111.4	F80 S109 G110 F201 Y202	F80-C193 HydrophobicContact CE2-CB 3.79Å; F80-C193 WeakPolarHBondContact CE2-SG 3.32Å; F80-C193 HydrophobicContact CZ-CB 4.36Å; F80-C193 WeakPolarHBondContact CZ-SG 3.3Å; S109-C193 WeakPolarHBondContact CA-O 2.98Å; G110-C193 PolarHBondContact N-O 3.47Å; G110-C193 PolarHBondContact O-N 3.1Å; G110-C193 PolarHBondContact O-SG 3.28Å; G110-C193 VanDerWaalsContact O-SG 3.33Å; C193-F201 HydrophobicContact CB-CD2 3.82Å; C193-F201 HydrophobicContact CB-CE1 3.96Å; C193-F201 HydrophobicContact CB-CE2 3.21Å; C193-F201 HydrophobicContact CB-CG 4.44Å; C193-F201 HydrophobicContact CB-CZ 3.28Å; C193-F201 WeakPolarHBondContact SG-CE2 3.41Å; C193-Y202 WeakPolarHBondContact CA-O 3.15Å
194	S	85.2	Confident	84.3	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.6	157.7	165.8	0	0	0	0	109.3	A107 I108 F201 Y202	A107-S194 WeakPolarHBondContact CB-OG 3.46Å; I108-S194 CarbonylContact O-C 3.6Å; I108-S194 WeakPolarHBondContact O-CA 3.39Å; S194-F201 VanDerWaalsContact O-CA 3.3Å; S194-F201 WeakPolarHBondContact O-CA 3.48Å; S194-Y202 VanDerWaalsContact CB-CE1 3.45Å; S194-Y202 WeakPolarHBondContact CB-OH 3.3Å; S194-Y202 PolarHBondContact N-O 3.44Å; S194-Y202 PolarHBondContact O-N 2.98Å; S194-Y202 WeakPolarHBondContact OG-CE1 3.3Å; S194-Y202 PolarHBondContact OG-OH 3.34Å
195	L	83.7	Confident	83.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.2	174	169.5	69.3	0	0	0	110.3	W46 F86 L91 I93 A107 I108 D200 F201	W46-L195 HydrophobicContact CE3-CD2 4.37Å; W46-L195 HydrophobicContact CH2-CD2 3.67Å; W46-L195 HydrophobicContact CZ2-CD2 4Å; W46-L195 HydrophobicContact CZ3-CD2 3.86Å; F86-L195 HydrophobicContact CE1-CD1 3.48Å; F86-L195 VanDerWaalsContact CE1-CD1 3.48Å; F86-L195 HydrophobicContact CE1-CD2 4.09Å; F86-L195 HydrophobicContact CE1-CG 4.43Å; F86-L195 HydrophobicContact CE2-CD2 4.47Å; F86-L195 HydrophobicContact CZ-CD1 3.7Å; F86-L195 HydrophobicContact CZ-CD2 3.54Å; F86-L195 HydrophobicContact CZ-CG 4.27Å; L91-L195 HydrophobicContact CD1-CD2 4.12Å; L91-L195 HydrophobicContact CD2-CD1 4.11Å; L91-L195 HydrophobicContact CD2-CD2 4.39Å; I93-L195 HydrophobicContact CD1-CD2 4.28Å; I93-L195 HydrophobicContact CD1-CG 4.2Å; A107-L195 CarbonylContact C-O 3.56Å; A107-L195 WeakPolarHBondContact CA-O 3.4Å; A107-L195 WeakPolarHBondContact CB-O 3.49Å; I108-L195 HydrophobicContact CD1-CB 3.93Å; I108-L195 HydrophobicContact CD1-CD2 3.87Å; I108-L195 HydrophobicContact CD1-CG 4.35Å; I108-L195 HydrophobicContact CG1-CB 3.57Å; I108-L195 HydrophobicContact CG1-CD2 4.33Å; I108-L195 HydrophobicContact CG1-CG 4.27Å; I108-L195 WeakPolarHBondContact CG1-O 3.02Å; I108-L195 PolarHBondContact N-O 2.89Å; I108-L195 PolarHBondContact O-N 2.98Å; L195-D200 WeakPolarHBondContact CA-O 3.43Å; L195-F201 HydrophobicContact CD1-CB 4.21Å
196	N	80.5	Confident	83.5	Confident	33 Å²	33	44.2 Å²	44.2	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	174.1	176.3	81.1	11.3	0	0	0	112.7	I93 A107 N198 G199 D200	I93-N196 WeakPolarHBondContact CD1-O 3.44Å; A107-N196 HydrophobicContact CB-CB 4.14Å; N196-N198 PolarHBondContact O-N 3.35Å; N196-N198 VanDerWaalsContact O-N 3.16Å; N196-N198 WeakPolarHBondContact OD1-CA 3.28Å; N196-N198 WeakPolarHBondContact OD1-CB 3.33Å; N196-N198 PolarHBondContact OD1-N 3.48Å; N196-G199 PolarHBondContact O-N 3Å; N196-G199 VanDerWaalsContact O-N 3.07Å; N196-G199 PolarHBondContact OD1-N 2.87Å; N196-D200 PolarHBondContact N-O 3.21Å; N196-D200 VanDerWaalsContact ND2-CB 3.33Å; N196-D200 WeakPolarHBondContact ND2-CB 2.73Å; N196-D200 PolarHBondContact ND2-OD2 2.99Å; N196-D200 WeakPolarHBondContact OD1-CA 2.78Å; N196-D200 WeakPolarHBondContact OD1-CB 3.23Å; N196-D200 PolarHBondContact OD1-N 2.82Å; N196-D200 PolarHBondContact OD1-OD2 2.87Å
197	R	75.3	Confident	83.4	Confident	114 Å²	114	38 Å²	38	43%	0.43	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.6	179.4	-70.1	-171.9	-175.6	174.6	8.3	115.4	S95 I98	S95-R197 PolarHBondContact O-NH2 2.99Å; I98-R197 HydrophobicContact CD1-CG 3.34Å
198	N	78.1	Confident	83.3	Confident	128 Å²	128	37.4 Å²	37.4	68%	0.684	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	0.3	-178.3	-59.5	-18.1	0	0	0	111.9	N196 D200	N196-N198 PolarHBondContact O-N 3.35Å; N196-N198 VanDerWaalsContact O-N 3.16Å; N196-N198 WeakPolarHBondContact OD1-CA 3.28Å; N196-N198 WeakPolarHBondContact OD1-CB 3.33Å; N196-N198 PolarHBondContact OD1-N 3.48Å; N198-D200 VanDerWaalsContact C-N 3.29Å
199	G	77.2	Confident	83.2	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	17%	0.166	C	C	.	.			trans	80.6	10.9	-171.1	0	0	0	0	0	113.1	R83 N196 F201	R83-G199 PolarHBondContact NH1-O 2.75Å; N196-G199 PolarHBondContact O-N 3Å; N196-G199 VanDerWaalsContact O-N 3.07Å; N196-G199 PolarHBondContact OD1-N 2.87Å; G199-F201 PolarHBondContact O-N 3.32Å
200	D	80.7	Confident	83.1	Confident	70 Å²	70	36 Å²	36	37%	0.374	18%	0.175	S	C	.	.			trans	-71.9	101.6	172.4	-53	-47.5	0	0	0	108.9	R83 L195 N196 N198	R83-D200 VanDerWaalsContact NH2-CA 3.34Å; L195-D200 WeakPolarHBondContact CA-O 3.43Å; N196-D200 PolarHBondContact N-O 3.21Å; N196-D200 VanDerWaalsContact ND2-CB 3.33Å; N196-D200 WeakPolarHBondContact ND2-CB 2.73Å; N196-D200 PolarHBondContact ND2-OD2 2.99Å; N196-D200 WeakPolarHBondContact OD1-CA 2.78Å; N196-D200 WeakPolarHBondContact OD1-CB 3.23Å; N196-D200 PolarHBondContact OD1-N 2.82Å; N196-D200 PolarHBondContact OD1-OD2 2.87Å; N198-D200 VanDerWaalsContact C-N 3.29Å
201	F	81	Confident	83.1	Confident	13 Å²	13	39.7 Å²	39.7	6%	0.057	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.4	168.2	175.5	-70.4	0	0	0	108.9	F80 N82 R83 F86 C193 S194 L195 G199	F80-F201 AromaticContact CD2-CE2 3.58Å; F80-F201 HydrophobicContact CD2-CE2 3.58Å; F80-F201 AromaticContact CD2-CZ 3.62Å; F80-F201 HydrophobicContact CD2-CZ 3.62Å; F80-F201 AromaticContact CE2-CE2 3.43Å; F80-F201 HydrophobicContact CE2-CE2 3.43Å; F80-F201 VanDerWaalsContact CE2-CE2 3.43Å; F80-F201 AromaticContact CE2-CZ 3.62Å; F80-F201 HydrophobicContact CE2-CZ 3.62Å; F80-F201 HydrophobicContact CZ-CE2 4.35Å; N82-F201 VanDerWaalsContact C-CE1 3.45Å; N82-F201 VanDerWaalsContact C-CZ 3.44Å; N82-F201 VanDerWaalsContact CA-CE1 3.48Å; N82-F201 VanDerWaalsContact O-CZ 3.29Å; N82-F201 WeakPolarHBondContact O-CZ 3.31Å; R83-F201 HydrophobicContact CG-CB 3.56Å; R83-F201 HydrophobicContact CG-CD1 3.63Å; R83-F201 HydrophobicContact CG-CG 3.67Å; R83-F201 PolarHBondContact NE-O 3.49Å; R83-F201 VanDerWaalsContact NE-O 3.12Å; R83-F201 PolarHBondContact NH2-O 2.74Å; F86-F201 HydrophobicContact CE1-CB 4.45Å; C193-F201 HydrophobicContact CB-CD2 3.82Å; C193-F201 HydrophobicContact CB-CE1 3.96Å; C193-F201 HydrophobicContact CB-CE2 3.21Å; C193-F201 HydrophobicContact CB-CG 4.44Å; C193-F201 HydrophobicContact CB-CZ 3.28Å; C193-F201 WeakPolarHBondContact SG-CE2 3.41Å; S194-F201 VanDerWaalsContact O-CA 3.3Å; S194-F201 WeakPolarHBondContact O-CA 3.48Å; L195-F201 HydrophobicContact CD1-CB 4.21Å; G199-F201 PolarHBondContact O-N 3.32Å
202	Y	79.3	Confident	83.1	Confident	114 Å²	114	39.7 Å²	39.7	45%	0.447	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.3	166.5	57.8	-81.4	0	0	0	110.2	C193 S194 F204	C193-Y202 WeakPolarHBondContact CA-O 3.15Å; S194-Y202 VanDerWaalsContact CB-CE1 3.45Å; S194-Y202 WeakPolarHBondContact CB-OH 3.3Å; S194-Y202 PolarHBondContact N-O 3.44Å; S194-Y202 PolarHBondContact O-N 2.98Å; S194-Y202 WeakPolarHBondContact OG-CE1 3.3Å; S194-Y202 PolarHBondContact OG-OH 3.34Å; Y202-F204 AromaticContact CE2-CD2 3.99Å; Y202-F204 HydrophobicContact CE2-CD2 3.99Å; Y202-F204 PolarHBondContact O-N 2.82Å
203	P	77.4	Confident	83.1	Confident	46 Å²	46	39.4 Å²	39.4	30%	0.299	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	120.2	163.6	-25.3	35.6	0	0	0	109.3	I171 Y172 H191	I171-P203 HydrophobicContact CG2-CB 3.56Å; I171-P203 HydrophobicContact CG2-CG 3.54Å; Y172-P203 HydrophobicContact CE1-CB 4.33Å; H191-P203 WeakPolarHBondContact NE2-CB 3.29Å
204	F	72	Confident	83.2	Confident	108 Å²	108	43 Å²	43	47%	0.474	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-50.2	-174.1	175.3	-106.8	0	0	0	111.5	I192 Y202	I192-F204 HydrophobicContact CG2-CB 4.43Å; I192-F204 HydrophobicContact CG2-CD1 4.07Å; I192-F204 WeakPolarHBondContact O-CA 3.2Å; I192-F204 WeakPolarHBondContact O-CB 3.44Å; I192-F204 PolarHBondContact O-N 3.2Å; Y202-F204 AromaticContact CE2-CD2 3.99Å; Y202-F204 HydrophobicContact CE2-CD2 3.99Å; Y202-F204 PolarHBondContact O-N 2.82Å
205	A	80.5	Confident	83.2	Confident	18 Å²	18	47.7 Å²	47.7	15%	0.149	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	160.6	-175.8	0	0	0	0	0	111.2	Y172 I192	Y172-A205 PolarHBondContact OH-O 2.95Å; I192-A205 PolarHBondContact N-O 2.8Å; I192-A205 PolarHBondContact O-N 3.08Å
206	L	86.1	Confident	82.9	Confident	9 Å²	9	51.9 Å²	51.9	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140	160.3	-73	167	0	0	0	109.4	F116 Y172 W180 F181 H191	F116-L206 HydrophobicContact CE1-CD1 4.18Å; F116-L206 HydrophobicContact CE1-CD2 3.6Å; F116-L206 HydrophobicContact CZ-CD1 3.87Å; F116-L206 HydrophobicContact CZ-CD2 4.08Å; Y172-L206 HydrophobicContact CD1-CD1 4.26Å; Y172-L206 HydrophobicContact CD2-CD1 3.62Å; Y172-L206 HydrophobicContact CD2-CG 4.3Å; Y172-L206 HydrophobicContact CE1-CD1 4.09Å; Y172-L206 HydrophobicContact CE1-CG 4.01Å; Y172-L206 HydrophobicContact CE2-CD1 3.39Å; Y172-L206 HydrophobicContact CE2-CD2 3.81Å; Y172-L206 HydrophobicContact CE2-CG 3.58Å; Y172-L206 HydrophobicContact CG-CD1 4.02Å; Y172-L206 VanDerWaalsContact CZ-CG 3.41Å; Y172-L206 WeakPolarHBondContact OH-CG 3.02Å; W180-L206 HydrophobicContact CZ3-CB 4.42Å; F181-L206 HydrophobicContact CE1-CB 4.31Å; F181-L206 HydrophobicContact CE1-CD1 3.47Å; F181-L206 VanDerWaalsContact CE1-CD1 3.47Å; F181-L206 HydrophobicContact CE2-CD1 4.25Å; F181-L206 HydrophobicContact CZ-CD1 3.14Å; H191-L206 HydrophobicContact CB-CD2 4.25Å
207	N	88.6	Confident	82.7	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.08	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.5	175.1	-68.3	-81.9	0	0	0	109.5	L189 C190 I192 C209 L212 R215	L189-N207 CarbonylContact C-O 3.49Å; L189-N207 WeakPolarHBondContact CA-O 3.43Å; C190-N207 PolarHBondContact N-O 2.83Å; C190-N207 PolarHBondContact O-N 3.39Å; I192-N207 HydrophobicContact CD1-CB 4.46Å; I192-N207 WeakPolarHBondContact CD1-ND2 2.94Å; N207-C209 PolarHBondContact O-N 3.21Å; N207-L212 HydrophobicContact CB-CB 4.45Å; N207-R215 VanDerWaalsContact CG-NH1 3.32Å; N207-R215 PolarHBondContact OD1-NH1 2.05Å; N207-R215 PolarHBondContact OD1-NH2 2.81Å
208	E	91.4	Very high	83.1	Confident	36 Å²	36	48.1 Å²	48.1	17%	0.168	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	130.4	165.4	-60.8	-177.5	-152.8	0	0	108.5	W180 R184 V187 L189 N210 E211 L212	W180-E208 HydrophobicContact CH2-CG 4.26Å; W180-E208 HydrophobicContact CZ2-CG 4.19Å; R184-E208 WeakPolarHBondContact CD-OE1 3.4Å; R184-E208 IonicContact CZ-OE1 2.66Å; R184-E208 IonicContact NE-OE1 3.33Å; R184-E208 PolarHBondContact NE-OE1 3.12Å; R184-E208 IonicContact NH2-OE1 3.18Å; R184-E208 PolarHBondContact NH2-OE1 3.22Å; V187-E208 HydrophobicContact CG1-CB 4.12Å; V187-E208 HydrophobicContact CG1-CG 3.82Å; L189-E208 HydrophobicContact CD2-CG 4.15Å; E208-N210 PolarHBondContact O-N 3.05Å; E208-E211 HydrophobicContact CB-CB 4.13Å; E208-E211 HydrophobicContact CB-CG 3.92Å; E208-E211 WeakPolarHBondContact O-CB 3.22Å; E208-E211 PolarHBondContact O-N 2.91Å; E208-L212 PolarHBondContact O-N 3.39Å
209	C	90.5	Very high	83.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-40.2	-176.5	-72.3	0	0	0	0	111.9	V60 F115 W188 C190 N207 E211 L212 I213	V60-C209 HydrophobicContact CB-CB 4.23Å; V60-C209 HydrophobicContact CG1-CB 4.06Å; V60-C209 HydrophobicContact CG2-CB 3.86Å; F115-C209 VanDerWaalsContact CD1-SG 3.59Å; W188-C209 HydrophobicContact CB-CB 4.19Å; W188-C209 WeakPolarHBondContact O-CB 3.41Å; W188-C209 PolarHBondContact O-N 3.36Å; W188-C209 PolarHBondContact O-SG 3.35Å; C190-C209 WeakPolarHBondContact CA-SG 3.32Å; C190-C209 HydrophobicContact CB-CB 4.1Å; C190-C209 WeakPolarHBondContact CB-SG 3.32Å; C190-C209 PolarHBondContact N-SG 3.26Å; C190-C209 WeakPolarHBondContact SG-CA 3.34Å; C190-C209 WeakPolarHBondContact SG-CB 3.42Å; C190-C209 CovalentContact SG-SG 2.03Å; C190-C209 PolarHBondContact SG-SG 3.18Å; N207-C209 PolarHBondContact O-N 3.21Å; C209-E211 VanDerWaalsContact C-N 3.33Å; C209-E211 PolarHBondContact O-N 3.16Å; C209-L212 PolarHBondContact O-N 2.91Å; C209-I213 PolarHBondContact O-N 2.86Å; C209-I213 VanDerWaalsContact O-N 3.13Å
210	N	88.3	Confident	84.1	Confident	37 Å²	37	42.2 Å²	42.2	20%	0.198	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-35.9	175.3	-98.1	-68.1	0	0	0	112.3	V58 E208 I213 R214	V58-N210 PolarHBondContact N-OD1 2.96Å; V58-N210 PolarHBondContact O-OD1 3.45Å; E208-N210 PolarHBondContact O-N 3.05Å; N210-I213 VanDerWaalsContact O-CG1 3.22Å; N210-I213 WeakPolarHBondContact O-CG1 3.46Å; N210-R214 WeakPolarHBondContact O-CG 3.41Å; N210-R214 PolarHBondContact O-NH1 2.88Å
211	E	89.1	Confident	84.5	Confident	77 Å²	77	38.9 Å²	38.9	36%	0.36	18%	0.184	S	C	.	.	H	α-helix	trans	-69.9	-41.3	172.1	-70.3	-173.7	171	0	0	111.6	E208 C209 I213 R214 R215	E208-E211 HydrophobicContact CB-CB 4.13Å; E208-E211 HydrophobicContact CB-CG 3.92Å; E208-E211 WeakPolarHBondContact O-CB 3.22Å; E208-E211 PolarHBondContact O-N 2.91Å; C209-E211 VanDerWaalsContact C-N 3.33Å; C209-E211 PolarHBondContact O-N 3.16Å; E211-I213 PolarHBondContact O-N 2.85Å; E211-R214 PolarHBondContact O-N 2.82Å; E211-R214 VanDerWaalsContact O-N 3.1Å; E211-R215 PolarHBondContact O-N 2.8Å; E211-R215 IonicContact OE2-NH2 3.49Å; E211-R215 PolarHBondContact OE2-NH2 2.9Å
212	L	88.7	Confident	84.9	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-47.1	-176	179.9	54.2	0	0	0	112.1	H111 C190 I192 N207 E208 C209 R214 R215 H218	H111-L212 HydrophobicContact CB-CD2 3.91Å; C190-L212 HydrophobicContact CB-CD2 3.64Å; I192-L212 HydrophobicContact CD1-CD1 3.41Å; I192-L212 VanDerWaalsContact CD1-CD1 3.41Å; I192-L212 HydrophobicContact CD1-CD2 3.96Å; I192-L212 HydrophobicContact CD1-CG 4.3Å; I192-L212 HydrophobicContact CG1-CD1 4.18Å; I192-L212 HydrophobicContact CG1-CD2 3.83Å; N207-L212 HydrophobicContact CB-CB 4.45Å; E208-L212 PolarHBondContact O-N 3.39Å; C209-L212 PolarHBondContact O-N 2.91Å; L212-R214 PolarHBondContact O-N 3.3Å; L212-R215 WeakPolarHBondContact O-CB 3.36Å; L212-R215 PolarHBondContact O-N 2.84Å; L212-H218 HydrophobicContact CD1-CB 4.24Å; L212-H218 PolarHBondContact O-CE1 3.03Å; L212-H218 PolarHBondContact O-ND1 2.84Å
213	I	87.5	Confident	85.5	Confident	1 Å²	1	33 Å²	33	1%	0.005	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.2	179.2	60.5	163.8	0	0	0	113.5	F49 P51 I52 V58 V60 L63 C209 N210 E211	F49-I213 HydrophobicContact CE1-CB 4.24Å; P51-I213 WeakPolarHBondContact CA-O 3.43Å; I52-I213 HydrophobicContact CD1-CD1 4.35Å; I52-I213 PolarHBondContact N-O 3.48Å; V58-I213 HydrophobicContact CB-CD1 3.93Å; V58-I213 HydrophobicContact CG2-CD1 4.25Å; V60-I213 HydrophobicContact CG1-CG2 4.02Å; V60-I213 HydrophobicContact CG2-CD1 4.2Å; V60-I213 HydrophobicContact CG2-CG2 4.4Å; L63-I213 HydrophobicContact CD2-CB 4.18Å; L63-I213 HydrophobicContact CD2-CD1 3.84Å; L63-I213 HydrophobicContact CD2-CG2 3.92Å; C209-I213 PolarHBondContact O-N 2.86Å; C209-I213 VanDerWaalsContact O-N 3.13Å; N210-I213 VanDerWaalsContact O-CG1 3.22Å; N210-I213 WeakPolarHBondContact O-CG1 3.46Å; E211-I213 PolarHBondContact O-N 2.85Å
214	R	86.9	Confident	86.1	Confident	75 Å²	75	31.5 Å²	31.5	28%	0.283	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-11.2	176.5	-58.8	-176.9	-180	102.2	-5.1	112.7	G54 V56 N210 E211 L212	G54-R214 PolarHBondContact O-NE 2.85Å; V56-R214 PolarHBondContact O-NH2 3.15Å; N210-R214 WeakPolarHBondContact O-CG 3.41Å; N210-R214 PolarHBondContact O-NH1 2.88Å; E211-R214 PolarHBondContact O-N 2.82Å; E211-R214 VanDerWaalsContact O-N 3.1Å; L212-R214 PolarHBondContact O-N 3.3Å
215	R	84.3	Confident	86.8	Confident	104 Å²	104	30.1 Å²	30.1	39%	0.392	15%	0.153	S	C	.	.	S	Bend	trans	-78	140	178.3	-69.6	-175.8	-178.6	-177.4	8.4	110.8	N207 E211 L212 H218	N207-R215 VanDerWaalsContact CG-NH1 3.32Å; N207-R215 PolarHBondContact OD1-NH1 2.05Å; N207-R215 PolarHBondContact OD1-NH2 2.81Å; E211-R215 PolarHBondContact O-N 2.8Å; E211-R215 IonicContact OE2-NH2 3.49Å; E211-R215 PolarHBondContact OE2-NH2 2.9Å; L212-R215 WeakPolarHBondContact O-CB 3.36Å; L212-R215 PolarHBondContact O-N 2.84Å; R215-H218 PolarHBondContact O-CE1 2.86Å; R215-H218 VanDerWaalsContact O-CE1 3.25Å; R215-H218 PolarHBondContact O-ND1 2.74Å
216	T	77.9	Confident	86.9	Confident	88 Å²	88	31.6 Å²	31.6	54%	0.54	16%	0.161	S	C	.	.	S	Bend	trans	-67.3	154.9	166.9	57.8	0	0	0	0	110.2	P51	P51-T216 HydrophobicContact CG-CG2 4.2Å
217	E	76.3	Confident	86.9	Confident	63 Å²	63	32.8 Å²	32.8	29%	0.294	17%	0.167	S	C	.	.	S	Bend	trans	72.8	31.6	162.9	-48.2	-179.6	155.7	0	0	116.8	R103	R103-E217 WeakPolarHBondContact CD-OE1 3.02Å; R103-E217 WeakPolarHBondContact CD-OE2 3.19Å; R103-E217 WeakPolarHBondContact CG-OE1 3.26Å; R103-E217 IonicContact NE-OE1 3.43Å; R103-E217 PolarHBondContact NE-OE1 2.71Å
218	H	82.9	Confident	86.8	Confident	5 Å²	5	33.7 Å²	33.7	2%	0.023	17%	0.172	C	C	.	.			trans	-114	157.2	171.6	70.8	-93.3	0	0	0	112	F49 S109 H111 L212 R215	F49-H218 WeakPolarHBondContact CB-NE2 3.49Å; F49-H218 AromaticContact CD1-CE1 3.45Å; F49-H218 VanDerWaalsContact CD1-CE1 3.45Å; F49-H218 WeakPolarHBondContact CD1-CE1 3.48Å; F49-H218 AromaticContact CD1-NE2 3.12Å; F49-H218 WeakPolarHBondContact CD1-NE2 3.35Å; F49-H218 AromaticContact CG-NE2 3.45Å; F49-H218 WeakPolarHBondContact CG-NE2 3.26Å; F49-H218 PolarHBondContact N-O 2.79Å; S109-H218 CarbonylContact O-C 3.49Å; H111-H218 AromaticContact CE1-CD2 3.18Å; H111-H218 PolarHBondContact CE1-CD2 2.81Å; H111-H218 AromaticContact CE1-NE2 3.54Å; H111-H218 AromaticContact ND1-CD2 3.47Å; H111-H218 PolarHBondContact ND1-CD2 3.08Å; L212-H218 HydrophobicContact CD1-CB 4.24Å; L212-H218 PolarHBondContact O-CE1 3.03Å; L212-H218 PolarHBondContact O-ND1 2.84Å; R215-H218 PolarHBondContact O-CE1 2.86Å; R215-H218 VanDerWaalsContact O-CE1 3.25Å; R215-H218 PolarHBondContact O-ND1 2.74Å
219	H	87.5	Confident	86.6	Confident	3 Å²	3	33.6 Å²	33.6	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142	179.3	-56.3	69.1	0	0	0	110.4	W46 M47 W102 S109 G110 H111	W46-H219 HydrophobicContact CB-CB 4Å; M47-H219 CarbonylContact O-C 3.54Å; M47-H219 WeakPolarHBondContact O-CA 3.2Å; M47-H219 WeakPolarHBondContact O-CB 3.48Å; W102-H219 AromaticContact CD1-CE1 3.71Å; W102-H219 AromaticContact CD1-NE2 3.96Å; W102-H219 AromaticContact CE2-CE1 3.6Å; W102-H219 AromaticContact CE2-NE2 3.48Å; W102-H219 AromaticContact CZ2-CE1 3.99Å; W102-H219 AromaticContact CZ2-NE2 3.6Å; W102-H219 AromaticContact NE1-CE1 3.16Å; W102-H219 PolarHBondContact NE1-CE1 2.94Å; W102-H219 AromaticContact NE1-NE2 3.01Å; W102-H219 PolarHBondContact NE1-NE2 3.46Å; S109-H219 PolarHBondContact O-N 3.39Å; S109-H219 PolarHBondContact O-ND1 2.79Å; S109-H219 VanDerWaalsContact O-ND1 3.08Å; G110-H219 CarbonylContact C-O 3.56Å; G110-H219 WeakPolarHBondContact CA-O 3.39Å; H111-H219 PolarHBondContact N-O 2.76Å; H111-H219 PolarHBondContact ND1-O 2.82Å
220	V	88.7	Confident	86.3	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.1	168.8	174.2	0	0	0	0	108.1	W46 M47 F49 L64 Y67 H111	W46-V220 WeakPolarHBondContact CA-O 2.87Å; M47-V220 PolarHBondContact N-O 2.83Å; M47-V220 PolarHBondContact O-N 3.05Å; F49-V220 HydrophobicContact CB-CG2 3.87Å; F49-V220 HydrophobicContact CD2-CG2 3.5Å; F49-V220 VanDerWaalsContact CD2-CG2 3.5Å; F49-V220 HydrophobicContact CE2-CG2 4.3Å; F49-V220 HydrophobicContact CG-CG2 3.88Å; L64-V220 HydrophobicContact CD2-CB 4.37Å; L64-V220 HydrophobicContact CD2-CG1 3.97Å; L64-V220 HydrophobicContact CD2-CG2 3.4Å; L64-V220 VanDerWaalsContact CD2-CG2 3.4Å; Y67-V220 HydrophobicContact CD1-CB 4.11Å; Y67-V220 HydrophobicContact CD1-CG1 4.07Å; Y67-V220 HydrophobicContact CD1-CG2 4.4Å; Y67-V220 HydrophobicContact CE1-CB 3.94Å; Y67-V220 HydrophobicContact CE1-CG1 4.32Å; Y67-V220 HydrophobicContact CE1-CG2 4.39Å; H111-V220 WeakPolarHBondContact CE1-CG2 3.21Å
221	S	90.1	Very high	86.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.9	170.5	57.5	0	0	0	0	111.4	T45 Y78 F80 H111 G112	T45-S221 WeakPolarHBondContact O-CA 3.14Å; Y78-S221 PolarHBondContact N-O 3.19Å; Y78-S221 PolarHBondContact O-OG 3.01Å; Y78-S221 VanDerWaalsContact O-OG 3.11Å; F80-S221 VanDerWaalsContact CE1-OG 3.24Å; F80-S221 WeakPolarHBondContact CE1-OG 3.45Å; H111-S221 PolarHBondContact O-N 2.77Å; H111-S221 VanDerWaalsContact O-N 3.07Å; H111-S221 PolarHBondContact O-OG 2.85Å; G112-S221 WeakPolarHBondContact CA-OG 3.27Å
222	C	90.1	Very high	86	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.4	174.6	-56.3	0	0	0	0	110.2	V44 T45 C68 F72 I76	V44-C222 WeakPolarHBondContact CA-O 3.27Å; T45-C222 PolarHBondContact N-O 3.43Å; T45-C222 PolarHBondContact O-N 2.94Å; C68-C222 WeakPolarHBondContact CA-SG 3.33Å; C68-C222 HydrophobicContact CB-CB 3.73Å; C68-C222 WeakPolarHBondContact CB-SG 3.09Å; C68-C222 WeakPolarHBondContact SG-CB 3.08Å; C68-C222 CovalentContact SG-SG 2.05Å; C68-C222 PolarHBondContact SG-SG 3.44Å; F72-C222 HydrophobicContact CD2-CB 3.69Å; F72-C222 HydrophobicContact CE2-CB 3.72Å; I76-C222 CarbonylContact O-C 3.54Å; I76-C222 VanDerWaalsContact O-CA 3.3Å; I76-C222 WeakPolarHBondContact O-CA 3.07Å
223	I	90.2	Very high	85.8	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	137.2	162.2	-49.4	171.4	0	0	0	107.9	E42 C43 V44 G75 I76 Y78	E42-I223 HydrophobicContact CB-CG2 3.75Å; E42-I223 HydrophobicContact CG-CG2 4.16Å; C43-I223 CarbonylContact O-C 3.52Å; C43-I223 VanDerWaalsContact O-CA 3.27Å; C43-I223 WeakPolarHBondContact O-CA 3.27Å; V44-I223 HydrophobicContact CG2-CG1 4.23Å; G75-I223 CarbonylContact C-O 3.59Å; G75-I223 VanDerWaalsContact CA-O 3.26Å; G75-I223 WeakPolarHBondContact CA-O 3.14Å; I76-I223 HydrophobicContact CD1-CD1 4.23Å; I76-I223 HydrophobicContact CG1-CB 3.91Å; I76-I223 HydrophobicContact CG1-CD1 4.28Å; I76-I223 HydrophobicContact CG1-CG1 4.45Å; I76-I223 PolarHBondContact N-O 3.32Å; I76-I223 PolarHBondContact O-N 2.92Å; Y78-I223 HydrophobicContact CD2-CD1 3.8Å; Y78-I223 HydrophobicContact CD2-CG1 3.78Å; Y78-I223 HydrophobicContact CG-CD1 4.46Å; Y78-I223 HydrophobicContact CG-CG1 3.98Å
224	H	90	Very high	85.7	Confident	15 Å²	15	37.4 Å²	37.4	7%	0.069	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	165.8	171.5	61.9	92.7	0	0	0	111.7	C43 T45 F72	C43-H224 VanDerWaalsContact CB-CE1 3.43Å; C43-H224 WeakPolarHBondContact CB-CE1 3.29Å; C43-H224 PolarHBondContact N-O 2.92Å; C43-H224 PolarHBondContact O-N 2.85Å; T45-H224 PolarHBondContact OG1-NE2 2.95Å; F72-H224 HydrophobicContact CB-CB 3.44Å; F72-H224 VanDerWaalsContact CB-CB 3.44Å; F72-H224 HydrophobicContact CD1-CB 4.19Å; F72-H224 AromaticContact CD1-CD2 3.51Å; F72-H224 AromaticContact CD1-CE1 3.81Å; F72-H224 AromaticContact CD1-CG 3.58Å; F72-H224 AromaticContact CD1-ND1 3.77Å; F72-H224 AromaticContact CD1-NE2 3.68Å; F72-H224 HydrophobicContact CD2-CB 4.37Å; F72-H224 AromaticContact CD2-CD2 3.83Å; F72-H224 AromaticContact CE1-CD2 3.69Å; F72-H224 AromaticContact CE1-CE1 3.9Å; F72-H224 AromaticContact CE1-NE2 3.5Å; F72-H224 AromaticContact CE2-CD2 3.99Å; F72-H224 HydrophobicContact CG-CB 3.76Å; F72-H224 AromaticContact CG-CD2 3.59Å; F72-H224 AromaticContact CG-CG 3.6Å; F72-H224 AromaticContact CZ-CD2 3.94Å; F72-H224 AromaticContact CZ-NE2 3.92Å
225	S	87.6	Confident	85.6	Confident	79 Å²	79	34.3 Å²	34.3	55%	0.552	19%	0.186	S	C	*	.			trans	-70	147.6	168.4	-64.1	0	0	0	0	110.3
226	P	82.1	Confident	85.7	Confident	50 Å²	50	27.9 Å²	27.9	33%	0.325	17%	0.167	S	C	.	.			trans	-51	0	176	-24.2	31.4	0	0	0	114.3	A24 Y25 R26 S41 C43	A24-P226 VanDerWaalsContact O-OXT 3.09Å; Y25-P226 VanDerWaalsContact C-CB 3.48Å; Y25-P226 VanDerWaalsContact CA-C 3.43Å; Y25-P226 WeakPolarHBondContact CA-O 3.45Å; Y25-P226 WeakPolarHBondContact CA-OXT 3.44Å; Y25-P226 WeakPolarHBondContact O-CB 3.38Å; R26-P226 PolarHBondContact N-OXT 3.01Å; S41-P226 WeakPolarHBondContact O-CD 3.33Å; S41-P226 WeakPolarHBondContact O-CG 3.32Å; C43-P226 WeakPolarHBondContact SG-CA 3.42Å

Retrieved 226 of 226 residues in 111.2 ms (Link to these results)

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