A0AA82N7V1_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7V1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	46.5	Very low	235 Å²	235	147.4 Å²	147.4	100%	1.158	72%	0.717	S	S	*	*				0	88.6	0	-71.4	175	172.1	0	0	107.3
2	R	33.6	Very low	47.4	Very low	245 Å²	245	142 Å²	142	93%	0.925	70%	0.7	S	S	*	*				48.4	86.1	94.5	-75	-169.2	178.2	-177.3	0.4	113.8
3	Y	42.2	Very low	48.2	Very low	230 Å²	230	137.3 Å²	137.3	90%	0.902	68%	0.684	S	S	*	*			trans	-97.4	108	148.1	-91.2	-85.8	0	0	0	108	L5	Y3-L5 PolarHBondContact O-N 2.91Å
4	T	44.4	Very low	48.8	Very low	136 Å²	136	139.1 Å²	139.1	83%	0.834	68%	0.681	S	S	*	*			trans	-70.1	113.9	178.3	-15.1	0	0	0	0	108.4	L6	T4-L6 PolarHBondContact O-N 3.01Å
5	L	40.4	Very low	48.9	Very low	146 Å²	146	134.1 Å²	134.1	76%	0.764	67%	0.665	S	S	*	*			trans	-64.9	115.8	-174.9	-142.7	92.8	0	0	0	111.3	Y3 F7	Y3-L5 PolarHBondContact O-N 2.91Å; L5-F7 VanDerWaalsContact C-N 3.26Å; L5-F7 PolarHBondContact O-N 2.79Å
6	L	52.4	Low	49.6	Very low	106 Å²	106	131.7 Å²	131.7	56%	0.555	65%	0.654	S	S	*	*			trans	42.2	17.3	134.4	-91	81.7	0	0	0	121.7	T4 C8 Q9 S10	T4-L6 PolarHBondContact O-N 3.01Å; L6-C8 PolarHBondContact O-N 3.38Å; L6-Q9 HydrophobicContact CB-CB 4.44Å; L6-Q9 HydrophobicContact CD2-CB 4.24Å; L6-Q9 HydrophobicContact CD2-CG 4.49Å; L6-Q9 HydrophobicContact CG-CB 4.2Å; L6-Q9 HydrophobicContact CG-CG 4.22Å; L6-Q9 VanDerWaalsContact CG-OE1 3.27Å; L6-Q9 PolarHBondContact O-N 2.93Å; L6-S10 PolarHBondContact O-N 3.03Å
7	F	46.7	Very low	50	Low	161 Å²	161	129.5 Å²	129.5	71%	0.706	64%	0.644	S	S	*	*	H	α-helix	trans	-64.2	-25.4	-179	-134.3	-89.3	0	0	0	113.5	L5 S10 I11	L5-F7 VanDerWaalsContact C-N 3.26Å; L5-F7 PolarHBondContact O-N 2.79Å; F7-S10 PolarHBondContact O-OG 2.63Å; F7-I11 WeakPolarHBondContact O-CD1 3Å; F7-I11 WeakPolarHBondContact O-CG1 3.45Å
8	C	48.5	Very low	50	Low	104 Å²	104	131.4 Å²	131.4	70%	0.703	65%	0.648	S	S	*	*	H	α-helix	trans	-77.6	-29.8	173.8	-67	0	0	0	0	112.9	L6 T12	L6-C8 PolarHBondContact O-N 3.38Å; C8-T12 PolarHBondContact O-OG1 3.14Å
9	Q	52.5	Low	49.7	Very low	123 Å²	123	130.7 Å²	130.7	58%	0.575	64%	0.644	S	S	*	*	H	α-helix	trans	-73.7	-34	178.1	-70.4	-168.6	-10.6	0	0	111.5	L6 T12 V13	L6-Q9 HydrophobicContact CB-CB 4.44Å; L6-Q9 HydrophobicContact CD2-CB 4.24Å; L6-Q9 HydrophobicContact CD2-CG 4.49Å; L6-Q9 HydrophobicContact CG-CB 4.2Å; L6-Q9 HydrophobicContact CG-CG 4.22Å; L6-Q9 VanDerWaalsContact CG-OE1 3.27Å; L6-Q9 PolarHBondContact O-N 2.93Å; Q9-T12 PolarHBondContact O-N 3.39Å; Q9-V13 WeakPolarHBondContact O-CG2 3.38Å; Q9-V13 PolarHBondContact O-N 2.98Å
10	S	55.5	Low	49.6	Very low	40 Å²	40	128.6 Å²	128.6	28%	0.28	64%	0.635	S	S	.	*	H	α-helix	trans	-64.6	-40.5	175.1	59.5	0	0	0	0	111.9	L6 F7 T12 V13 Y14	L6-S10 PolarHBondContact O-N 3.03Å; F7-S10 PolarHBondContact O-OG 2.63Å; S10-T12 VanDerWaalsContact C-N 3.34Å; S10-T12 PolarHBondContact O-N 3.37Å; S10-V13 PolarHBondContact O-N 2.74Å; S10-Y14 WeakPolarHBondContact O-CD2 3.48Å; S10-Y14 PolarHBondContact O-N 2.74Å
11	I	57.9	Low	49.5	Very low	95 Å²	95	124.8 Å²	124.8	49%	0.487	62%	0.621	S	S	.	*	H	α-helix	trans	-59.5	-43.1	178.7	-66.7	166.2	0	0	0	111.7	F7 Y14 S15	F7-I11 WeakPolarHBondContact O-CD1 3Å; F7-I11 WeakPolarHBondContact O-CG1 3.45Å; I11-Y14 PolarHBondContact O-N 3.03Å; I11-S15 WeakPolarHBondContact O-CB 2.92Å; I11-S15 PolarHBondContact O-N 2.93Å; I11-S15 PolarHBondContact O-OG 3.15Å
12	T	57	Low	49.5	Very low	83 Å²	83	115.5 Å²	115.5	51%	0.509	59%	0.585	S	S	.	*	H	α-helix	trans	-65.7	-42.9	178.6	-40.4	0	0	0	0	111.2	C8 Q9 S10 S15 I16	C8-T12 PolarHBondContact O-OG1 3.14Å; Q9-T12 PolarHBondContact O-N 3.39Å; S10-T12 VanDerWaalsContact C-N 3.34Å; S10-T12 PolarHBondContact O-N 3.37Å; T12-S15 PolarHBondContact O-N 2.77Å; T12-I16 HydrophobicContact CG2-CD1 4.22Å; T12-I16 WeakPolarHBondContact O-CG1 3.02Å; T12-I16 PolarHBondContact O-N 3.34Å
13	V	57.6	Low	49.6	Very low	81 Å²	81	108.5 Å²	108.5	49%	0.491	56%	0.562	S	S	.	*	H	α-helix	trans	-63.6	-45.5	177.4	174	0	0	0	0	111	Q9 S10 S15 I16 I17	Q9-V13 WeakPolarHBondContact O-CG2 3.38Å; Q9-V13 PolarHBondContact O-N 2.98Å; S10-V13 PolarHBondContact O-N 2.74Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 2.98Å; V13-I16 PolarHBondContact O-N 3.35Å; V13-I17 HydrophobicContact CG1-CD1 3.69Å; V13-I17 HydrophobicContact CG1-CG1 4.39Å; V13-I17 VanDerWaalsContact O-CG1 3.27Å; V13-I17 WeakPolarHBondContact O-CG1 3.35Å; V13-I17 PolarHBondContact O-N 3.29Å
14	Y	57.4	Low	49.4	Very low	163 Å²	163	102 Å²	102	64%	0.639	54%	0.542	S	S	*	.	H	α-helix	trans	-61.8	-38.2	175.4	-77.5	-63.8	0	0	0	112.2	S10 I11 I17 F18	S10-Y14 WeakPolarHBondContact O-CD2 3.48Å; S10-Y14 PolarHBondContact O-N 2.74Å; I11-Y14 PolarHBondContact O-N 3.03Å; Y14-I17 PolarHBondContact O-N 2.62Å; Y14-F18 VanDerWaalsContact O-CB 3.25Å; Y14-F18 WeakPolarHBondContact O-CB 3.17Å; Y14-F18 PolarHBondContact O-N 2.75Å
15	S	50.4	Low	49.3	Very low	64 Å²	64	100.8 Å²	100.8	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-65.8	-42.3	177.5	-58.9	0	0	0	0	111.7	I11 T12 V13 F18 M19	I11-S15 WeakPolarHBondContact O-CB 2.92Å; I11-S15 PolarHBondContact O-N 2.93Å; I11-S15 PolarHBondContact O-OG 3.15Å; T12-S15 PolarHBondContact O-N 2.77Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 2.98Å; S15-F18 PolarHBondContact O-N 3.07Å; S15-M19 WeakPolarHBondContact O-CB 3.34Å; S15-M19 WeakPolarHBondContact O-CG 3.39Å; S15-M19 PolarHBondContact O-N 3.42Å
16	I	58.9	Low	49.3	Very low	95 Å²	95	96.1 Å²	96.1	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-44	175.9	-67.2	166.2	0	0	0	110.6	T12 V13 M19 I20	T12-I16 HydrophobicContact CG2-CD1 4.22Å; T12-I16 WeakPolarHBondContact O-CG1 3.02Å; T12-I16 PolarHBondContact O-N 3.34Å; V13-I16 PolarHBondContact O-N 3.35Å; I16-M19 WeakPolarHBondContact O-CB 3.02Å; I16-M19 PolarHBondContact O-N 3.03Å; I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.41Å; I16-I20 VanDerWaalsContact O-CG1 3.26Å; I16-I20 WeakPolarHBondContact O-CG1 3.46Å; I16-I20 PolarHBondContact O-N 2.84Å
17	I	56.8	Low	48.7	Very low	94 Å²	94	96.6 Å²	96.6	48%	0.482	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-42.5	176.8	-67.5	168.6	0	0	0	111	V13 Y14 M19 I20 S21	V13-I17 HydrophobicContact CG1-CD1 3.69Å; V13-I17 HydrophobicContact CG1-CG1 4.39Å; V13-I17 VanDerWaalsContact O-CG1 3.27Å; V13-I17 WeakPolarHBondContact O-CG1 3.35Å; V13-I17 PolarHBondContact O-N 3.29Å; Y14-I17 PolarHBondContact O-N 2.62Å; I17-M19 VanDerWaalsContact C-N 3.33Å; I17-M19 PolarHBondContact O-N 3.11Å; I17-I20 PolarHBondContact O-N 2.88Å; I17-S21 WeakPolarHBondContact O-CB 3.47Å; I17-S21 PolarHBondContact O-N 3.15Å; I17-S21 PolarHBondContact O-OG 3.14Å
18	F	49.7	Very low	48.6	Very low	165 Å²	165	92.4 Å²	92.4	72%	0.724	49%	0.49	S	S	*	.	H	α-helix	trans	-65.2	-39.5	178.3	-158	-91.3	0	0	0	111.2	Y14 S15 S21 G22	Y14-F18 VanDerWaalsContact O-CB 3.25Å; Y14-F18 WeakPolarHBondContact O-CB 3.17Å; Y14-F18 PolarHBondContact O-N 2.75Å; S15-F18 PolarHBondContact O-N 3.07Å; F18-S21 WeakPolarHBondContact CA-OG 3.1Å; F18-S21 PolarHBondContact O-OG 3.26Å; F18-G22 PolarHBondContact O-N 3.23Å
19	M	44.4	Very low	48.3	Very low	117 Å²	117	89 Å²	89	58%	0.576	46%	0.464	S	S	*	.	H	α-helix	trans	-60.5	-55	172	-74.5	-82.5	-82.4	0	0	110.9	S15 I16 I17 S21 G22 F23	S15-M19 WeakPolarHBondContact O-CB 3.34Å; S15-M19 WeakPolarHBondContact O-CG 3.39Å; S15-M19 PolarHBondContact O-N 3.42Å; I16-M19 WeakPolarHBondContact O-CB 3.02Å; I16-M19 PolarHBondContact O-N 3.03Å; I17-M19 VanDerWaalsContact C-N 3.33Å; I17-M19 PolarHBondContact O-N 3.11Å; M19-S21 VanDerWaalsContact C-N 3.34Å; M19-S21 PolarHBondContact O-N 3.2Å; M19-G22 WeakPolarHBondContact O-CA 3.14Å; M19-G22 PolarHBondContact O-N 3.26Å; M19-F23 VanDerWaalsContact C-CD2 3.42Å; M19-F23 HydrophobicContact CB-CD2 4.47Å; M19-F23 HydrophobicContact CB-CE2 4.06Å; M19-F23 HydrophobicContact CE-CE2 4.17Å; M19-F23 HydrophobicContact CE-CZ 4.39Å; M19-F23 WeakPolarHBondContact O-CD2 3.44Å; M19-F23 PolarHBondContact O-N 3.03Å; M19-F23 HydrophobicContact SD-CE2 4.45Å
20	I	48.5	Very low	47.9	Very low	89 Å²	89	88.4 Å²	88.4	46%	0.456	47%	0.472	S	S	.	.	H	α-helix	trans	-59	-42	-179.9	-66.5	167.9	0	0	0	111.7	I16 I17 G22 F23 I24	I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.41Å; I16-I20 VanDerWaalsContact O-CG1 3.26Å; I16-I20 WeakPolarHBondContact O-CG1 3.46Å; I16-I20 PolarHBondContact O-N 2.84Å; I17-I20 PolarHBondContact O-N 2.88Å; I20-G22 VanDerWaalsContact C-N 3.28Å; I20-G22 PolarHBondContact O-N 2.89Å; I20-F23 PolarHBondContact O-N 2.93Å; I20-F23 VanDerWaalsContact O-N 3.09Å; I20-I24 HydrophobicContact CG2-CD1 3.69Å; I20-I24 HydrophobicContact CG2-CG1 4.36Å; I20-I24 WeakPolarHBondContact O-CG1 3.16Å; I20-I24 PolarHBondContact O-N 3.12Å; I20-I24 VanDerWaalsContact O-N 3.13Å
21	S	47	Very low	47.6	Very low	49 Å²	49	90.8 Å²	90.8	34%	0.343	49%	0.485	S	S	.	.	H	α-helix	trans	-67.9	-25.9	177	65.4	0	0	0	0	113.5	I17 F18 M19	I17-S21 WeakPolarHBondContact O-CB 3.47Å; I17-S21 PolarHBondContact O-N 3.15Å; I17-S21 PolarHBondContact O-OG 3.14Å; F18-S21 WeakPolarHBondContact CA-OG 3.1Å; F18-S21 PolarHBondContact O-OG 3.26Å; M19-S21 VanDerWaalsContact C-N 3.34Å; M19-S21 PolarHBondContact O-N 3.2Å
22	G	37.1	Very low	47.7	Very low	39 Å²	39	91.7 Å²	91.7	40%	0.402	49%	0.486	S	S	.	.	H	α-helix	trans	-71.5	-34.7	168.5	0	0	0	0	0	113.2	F18 M19 I20	F18-G22 PolarHBondContact O-N 3.23Å; M19-G22 WeakPolarHBondContact O-CA 3.14Å; M19-G22 PolarHBondContact O-N 3.26Å; I20-G22 VanDerWaalsContact C-N 3.28Å; I20-G22 PolarHBondContact O-N 2.89Å
23	F	35.7	Very low	47.8	Very low	98 Å²	98	92 Å²	92	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-73.4	-35.9	-179.6	-72.3	-66.6	0	0	0	113.7	M19 I20 K25 V206	M19-F23 VanDerWaalsContact C-CD2 3.42Å; M19-F23 HydrophobicContact CB-CD2 4.47Å; M19-F23 HydrophobicContact CB-CE2 4.06Å; M19-F23 HydrophobicContact CE-CE2 4.17Å; M19-F23 HydrophobicContact CE-CZ 4.39Å; M19-F23 WeakPolarHBondContact O-CD2 3.44Å; M19-F23 PolarHBondContact O-N 3.03Å; M19-F23 HydrophobicContact SD-CE2 4.45Å; I20-F23 PolarHBondContact O-N 2.93Å; I20-F23 VanDerWaalsContact O-N 3.09Å; F23-K25 PolarHBondContact O-N 2.74Å; F23-V206 HydrophobicContact CD1-CB 3.64Å; F23-V206 HydrophobicContact CD1-CG1 3.22Å; F23-V206 HydrophobicContact CD1-CG2 3.42Å; F23-V206 VanDerWaalsContact CD1-CG2 3.42Å; F23-V206 HydrophobicContact CE1-CB 3.37Å; F23-V206 HydrophobicContact CE1-CG1 3.41Å; F23-V206 VanDerWaalsContact CE1-CG1 3.41Å; F23-V206 HydrophobicContact CE1-CG2 3.3Å; F23-V206 HydrophobicContact CG-CG1 4.47Å
24	I	38.4	Very low	48.1	Very low	95 Å²	95	96 Å²	96	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-72	-30.6	-173	-68	167.1	0	0	0	112.8	I20 C26 N27	I20-I24 HydrophobicContact CG2-CD1 3.69Å; I20-I24 HydrophobicContact CG2-CG1 4.36Å; I20-I24 WeakPolarHBondContact O-CG1 3.16Å; I20-I24 PolarHBondContact O-N 3.12Å; I20-I24 VanDerWaalsContact O-N 3.13Å; I24-C26 VanDerWaalsContact C-N 3.26Å; I24-C26 PolarHBondContact O-N 3.18Å; I24-N27 PolarHBondContact O-N 2.86Å
25	K	42.3	Very low	48.5	Very low	109 Å²	109	90.3 Å²	90.3	47%	0.474	48%	0.483	S	S	.	.	H	α-helix	trans	-65	-26.3	-171.7	-69.2	178.7	-177.6	-175.1	0	114.2	F23 N27 E28 Y54	F23-K25 PolarHBondContact O-N 2.74Å; K25-N27 VanDerWaalsContact C-N 3.28Å; K25-N27 PolarHBondContact O-N 2.73Å; K25-E28 PolarHBondContact O-N 2.98Å; K25-Y54 PolarHBondContact O-OH 3.26Å
26	C	40.2	Very low	49.1	Very low	48 Å²	48	91 Å²	91	32%	0.324	48%	0.478	S	S	.	.	H	α-helix	trans	-69.4	-27	-177.1	-158.4	0	0	0	0	113.1	I24 W209	I24-C26 VanDerWaalsContact C-N 3.26Å; I24-C26 PolarHBondContact O-N 3.18Å; C26-W209 VanDerWaalsContact SG-CE2 3.51Å; C26-W209 WeakPolarHBondContact SG-CZ2 3.22Å; C26-W209 PolarHBondContact SG-NE1 3.07Å
27	N	40.8	Very low	49.5	Very low	116 Å²	116	92.9 Å²	92.9	62%	0.62	49%	0.489	S	S	*	.	H	α-helix	trans	-83.2	-20.7	-179.8	-154.1	28.2	0	0	0	112.2	I24 K25 T31	I24-N27 PolarHBondContact O-N 2.86Å; K25-N27 VanDerWaalsContact C-N 3.28Å; K25-N27 PolarHBondContact O-N 2.73Å; N27-T31 WeakPolarHBondContact O-CB 3.31Å; N27-T31 WeakPolarHBondContact O-CG2 3.44Å; N27-T31 PolarHBondContact O-N 3.27Å; N27-T31 PolarHBondContact O-OG1 3.03Å
28	E	44.6	Very low	50.2	Low	74 Å²	74	93 Å²	93	35%	0.346	48%	0.484	S	S	.	.	H	α-helix	trans	-76.4	-32.5	-173.8	-70.6	-173.1	147.8	0	0	113.8	K25 T31 K32 L35	K25-E28 PolarHBondContact O-N 2.98Å; E28-T31 WeakPolarHBondContact CA-OG1 3.35Å; E28-T31 PolarHBondContact O-N 3.16Å; E28-T31 PolarHBondContact O-OG1 3.09Å; E28-K32 WeakPolarHBondContact O-CA 3.13Å; E28-K32 VanDerWaalsContact O-CB 3.23Å; E28-K32 WeakPolarHBondContact O-CB 3.28Å; E28-K32 PolarHBondContact O-N 3.43Å; E28-L35 HydrophobicContact CB-CD1 3.84Å
29	I	42	Very low	51.5	Low	31 Å²	31	89 Å²	89	16%	0.159	47%	0.473	C	S	.	.	H	α-helix	trans	-72.7	-40.6	179.5	-47.3	172.1	0	0	0	111.6	T31 K32 Y54 Y55	I29-T31 PolarHBondContact O-N 2.88Å; I29-K32 CarbonylContact O-C 3.43Å; I29-K32 PolarHBondContact O-N 3.38Å; I29-Y54 HydrophobicContact CD1-CD1 3.81Å; I29-Y54 HydrophobicContact CD1-CE1 3.01Å; I29-Y54 HydrophobicContact CG1-CD1 4.1Å; I29-Y54 HydrophobicContact CG1-CE1 3.21Å; I29-Y54 HydrophobicContact CG1-CE2 4.1Å; I29-Y54 WeakPolarHBondContact CG1-OH 3.3Å; I29-Y55 HydrophobicContact CD1-CE1 3.58Å; I29-Y55 WeakPolarHBondContact CD1-OH 3.3Å
30	C	43.5	Very low	53.2	Low	112 Å²	112	89 Å²	89	76%	0.757	47%	0.47	S	S	*	.	H	α-helix	trans	-67.6	-26.5	179.9	-65.7	0	0	0	0	111
31	T	49.3	Very low	54.8	Low	89 Å²	89	87.9 Å²	87.9	55%	0.546	47%	0.467	S	S	.	.	H	α-helix	trans	-96.9	-24.3	178.3	53.9	0	0	0	0	113.4	N27 E28 I29	N27-T31 WeakPolarHBondContact O-CB 3.31Å; N27-T31 WeakPolarHBondContact O-CG2 3.44Å; N27-T31 PolarHBondContact O-N 3.27Å; N27-T31 PolarHBondContact O-OG1 3.03Å; E28-T31 WeakPolarHBondContact CA-OG1 3.35Å; E28-T31 PolarHBondContact O-N 3.16Å; E28-T31 PolarHBondContact O-OG1 3.09Å; I29-T31 PolarHBondContact O-N 2.88Å
32	K	61	Low	56.3	Low	114 Å²	114	90.1 Å²	90.1	50%	0.496	47%	0.474	S	S	.	.			trans	-135.2	79.8	-178.4	-58.4	-179	-180	176.5	0	110.3	E28 I29 E34 L35	E28-K32 WeakPolarHBondContact O-CA 3.13Å; E28-K32 VanDerWaalsContact O-CB 3.23Å; E28-K32 WeakPolarHBondContact O-CB 3.28Å; E28-K32 PolarHBondContact O-N 3.43Å; I29-K32 CarbonylContact O-C 3.43Å; I29-K32 PolarHBondContact O-N 3.38Å; K32-E34 PolarHBondContact O-N 2.79Å; K32-L35 HydrophobicContact CB-CD1 3.92Å; K32-L35 HydrophobicContact CB-CG 4.02Å; K32-L35 HydrophobicContact CD-CD1 4.28Å; K32-L35 WeakPolarHBondContact O-CB 3.28Å; K32-L35 PolarHBondContact O-N 3.09Å
33	P	58.9	Low	58.2	Low	91 Å²	91	93.5 Å²	93.5	59%	0.591	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-60	-21.2	179.4	24.6	-34.1	0	0	0	113	L35 K36	P33-L35 PolarHBondContact O-N 3.22Å; P33-K36 WeakPolarHBondContact O-CB 3.1Å; P33-K36 PolarHBondContact O-N 3.35Å
34	E	64.3	Low	60.7	Low	165 Å²	165	93.5 Å²	93.5	77%	0.771	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-56.5	-32.3	174.2	-61.9	173.3	-167.1	0	0	112.8	K32 K36 N37	K32-E34 PolarHBondContact O-N 2.79Å; E34-K36 PolarHBondContact O-N 2.94Å; E34-K36 VanDerWaalsContact O-N 3.14Å; E34-N37 PolarHBondContact O-N 3.33Å; E34-N37 VanDerWaalsContact O-N 3.15Å
35	L	65.5	Low	63	Low	42 Å²	42	92.3 Å²	92.3	22%	0.22	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-65	-16.7	177.5	-67.4	175.9	0	0	0	112.8	E28 K32 P33 N37 Y38 Y54	E28-L35 HydrophobicContact CB-CD1 3.84Å; K32-L35 HydrophobicContact CB-CD1 3.92Å; K32-L35 HydrophobicContact CB-CG 4.02Å; K32-L35 HydrophobicContact CD-CD1 4.28Å; K32-L35 WeakPolarHBondContact O-CB 3.28Å; K32-L35 PolarHBondContact O-N 3.09Å; P33-L35 PolarHBondContact O-N 3.22Å; L35-N37 PolarHBondContact O-N 2.98Å; L35-Y38 WeakPolarHBondContact O-CB 3.37Å; L35-Y38 PolarHBondContact O-N 3.27Å; L35-Y54 HydrophobicContact CB-CD2 3.65Å; L35-Y54 HydrophobicContact CB-CE2 3.69Å; L35-Y54 HydrophobicContact CD1-CE2 3.99Å; L35-Y54 HydrophobicContact CG-CE2 4.37Å; L35-Y54 VanDerWaalsContact O-CB 3.24Å; L35-Y54 WeakPolarHBondContact O-CB 3.33Å; L35-Y54 VanDerWaalsContact O-CD2 3.29Å; L35-Y54 WeakPolarHBondContact O-CD2 3.43Å
36	K	61.5	Low	64.8	Low	79 Å²	79	93 Å²	93	34%	0.343	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-56.7	-32.6	173.4	-175.6	-176.2	-178.6	-177.7	0	112.1	P33 E34 K231	P33-K36 WeakPolarHBondContact O-CB 3.1Å; P33-K36 PolarHBondContact O-N 3.35Å; E34-K36 PolarHBondContact O-N 2.94Å; E34-K36 VanDerWaalsContact O-N 3.14Å; K36-K231 PolarHBondContact NZ-O 3.27Å
37	N	68.8	Low	66.7	Low	134 Å²	134	93.5 Å²	93.5	72%	0.717	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-97.1	11.2	179.5	-60.7	-26.5	0	0	0	112.1	E34 L35 T39	E34-N37 PolarHBondContact O-N 3.33Å; E34-N37 VanDerWaalsContact O-N 3.15Å; L35-N37 PolarHBondContact O-N 2.98Å; N37-T39 PolarHBondContact O-N 3.32Å
38	Y	70.4	Confident	68.4	Low	97 Å²	97	91 Å²	91	38%	0.38	47%	0.469	S	S	.	.			trans	-68.1	120.8	177.8	178.1	-91.9	0	0	0	110.1	L35 K40 N53 Y54	L35-Y38 WeakPolarHBondContact O-CB 3.37Å; L35-Y38 PolarHBondContact O-N 3.27Å; Y38-K40 HydrophobicContact CE1-CB 3.89Å; Y38-K40 HydrophobicContact CE2-CB 4.49Å; Y38-K40 WeakPolarHBondContact OH-CB 3.45Å; Y38-K40 VanDerWaalsContact OH-CD 3.24Å; Y38-K40 WeakPolarHBondContact OH-CD 3.39Å; Y38-N53 VanDerWaalsContact O-CA 3.3Å; Y38-N53 WeakPolarHBondContact O-CA 3.4Å; Y38-Y54 PolarHBondContact O-N 2.99Å; Y38-Y54 VanDerWaalsContact O-N 3.11Å
39	T	76.4	Confident	70.2	Confident	81 Å²	81	88.5 Å²	88.5	50%	0.497	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.7	170.2	-57.8	0	0	0	0	107.5	N37 N53	N37-T39 PolarHBondContact O-N 3.32Å; T39-N53 WeakPolarHBondContact CB-OD1 3.49Å; T39-N53 VanDerWaalsContact CG2-OD1 3.3Å; T39-N53 WeakPolarHBondContact CG2-OD1 3.46Å; T39-N53 PolarHBondContact OG1-OD1 2.94Å
40	K	80.3	Confident	71.7	Confident	116 Å²	116	90.1 Å²	90.1	50%	0.504	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.6	171.5	178.6	172.7	-179.5	176.5	0	109.2	Y38 I42 S51 H52	Y38-K40 HydrophobicContact CE1-CB 3.89Å; Y38-K40 HydrophobicContact CE2-CB 4.49Å; Y38-K40 WeakPolarHBondContact OH-CB 3.45Å; Y38-K40 VanDerWaalsContact OH-CD 3.24Å; Y38-K40 WeakPolarHBondContact OH-CD 3.39Å; K40-I42 PolarHBondContact O-N 3.46Å; K40-S51 CarbonylContact O-C 3.53Å; K40-S51 WeakPolarHBondContact O-CA 3.32Å; K40-H52 PolarHBondContact N-O 3.23Å; K40-H52 PolarHBondContact O-N 2.85Å
41	V	83.2	Confident	73.2	Confident	67 Å²	67	84.9 Å²	84.9	41%	0.406	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	124.4	167.4	-177.9	0	0	0	0	107.7	E44 E49	V41-E44 HydrophobicContact CG1-CB 3.89Å; V41-E49 HydrophobicContact CG1-CG 4.27Å
42	I	77.4	Confident	74.3	Confident	95 Å²	95	83.2 Å²	83.2	49%	0.487	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-39.4	-179.3	-67.7	173.9	0	0	0	109.9	K40 Y50 H52	K40-I42 PolarHBondContact O-N 3.46Å; I42-Y50 HydrophobicContact CB-CD1 3.7Å; I42-Y50 HydrophobicContact CB-CE1 4.2Å; I42-Y50 HydrophobicContact CD1-CD1 3.87Å; I42-Y50 HydrophobicContact CD1-CE1 3.45Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.45Å; I42-Y50 HydrophobicContact CG1-CD1 4.31Å; I42-Y50 HydrophobicContact CG1-CE1 4.37Å; I42-Y50 HydrophobicContact CG2-CD1 3.87Å; I42-Y50 HydrophobicContact CG2-CE1 4.23Å; I42-Y50 PolarHBondContact N-O 3.12Å; I42-H52 HydrophobicContact CD1-CB 3.74Å; I42-H52 HydrophobicContact CG1-CB 4.46Å
43	F	78.6	Confident	74.8	Confident	110 Å²	110	78.3 Å²	78.3	48%	0.482	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	137.3	178.2	-179.5	-84.8	0	0	0	109.3	N45 Y48 E49 Y50	F43-N45 HydrophobicContact CE1-CB 4.3Å; F43-Y48 HydrophobicContact CB-CE1 4.33Å; F43-Y48 AromaticContact CD1-CD1 3.36Å; F43-Y48 HydrophobicContact CD1-CD1 3.36Å; F43-Y48 AromaticContact CD1-CE1 3.4Å; F43-Y48 HydrophobicContact CD1-CE1 3.4Å; F43-Y48 VanDerWaalsContact CD1-CE1 3.4Å; F43-Y48 HydrophobicContact CD1-CG 4.48Å; F43-Y48 AromaticContact CE1-CD1 3.73Å; F43-Y48 HydrophobicContact CE1-CD1 3.73Å; F43-Y48 HydrophobicContact CE1-CE1 4.1Å; F43-Y48 HydrophobicContact CE1-CG 4.49Å; F43-Y48 HydrophobicContact CG-CE1 4.27Å; F43-E49 CarbonylContact O-C 3.59Å; F43-E49 WeakPolarHBondContact O-CA 3.25Å; F43-Y50 PolarHBondContact N-O 2.91Å; F43-Y50 PolarHBondContact O-N 3.35Å
44	E	87.2	Confident	75.1	Confident	99 Å²	99	76.1 Å²	76.1	46%	0.463	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	138.6	178.9	-176.8	-173.3	173	0	0	109.3	V41 Y48 E49 R223	V41-E44 HydrophobicContact CG1-CB 3.89Å; E44-Y48 CarbonylContact C-O 3.6Å; E44-Y48 WeakPolarHBondContact CA-O 3.44Å; E44-E49 HydrophobicContact CB-CG 4.33Å; E44-E49 HydrophobicContact CG-CB 4.47Å; E44-E49 HydrophobicContact CG-CG 4.21Å; E44-R223 IonicContact OE1-CZ 3.85Å; E44-R223 VanDerWaalsContact OE1-CZ 3.31Å; E44-R223 IonicContact OE1-NH1 3.03Å; E44-R223 PolarHBondContact OE1-NH1 3.17Å; E44-R223 VanDerWaalsContact OE1-NH1 3.11Å; E44-R223 IonicContact OE1-NH2 2.71Å; E44-R223 PolarHBondContact OE1-NH2 3.32Å
45	N	86.4	Confident	75.2	Confident	70 Å²	70	70.1 Å²	70.1	37%	0.374	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	-172.2	165.7	71.4	18.5	0	0	0	109.6	F43 S47 Y48	F43-N45 HydrophobicContact CE1-CB 4.3Å; N45-S47 PolarHBondContact O-N 3.34Å; N45-S47 PolarHBondContact OD1-N 3.4Å; N45-S47 PolarHBondContact OD1-OG 2.78Å; N45-Y48 PolarHBondContact N-O 2.93Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.3Å; N45-Y48 VanDerWaalsContact OD1-CB 3.3Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.43Å; N45-Y48 PolarHBondContact OD1-N 3.3Å; N45-Y48 PolarHBondContact OD1-O 2.87Å
46	D	80.7	Confident	75.3	Confident	123 Å²	123	68.9 Å²	68.9	66%	0.658	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.1	-178.8	-84.4	-55.1	0	0	0	115.5	L62 K258	D46-L62 WeakPolarHBondContact O-CD1 3.14Å; D46-K258 IonicContact OD1-NZ 3.31Å; D46-K258 PolarHBondContact OD1-NZ 3.33Å
47	S	79.3	Confident	75.7	Confident	58 Å²	58	65.6 Å²	65.6	41%	0.406	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-3.1	-173.2	62.6	0	0	0	0	114.2	N45 R61 L62	N45-S47 PolarHBondContact O-N 3.34Å; N45-S47 PolarHBondContact OD1-N 3.4Å; N45-S47 PolarHBondContact OD1-OG 2.78Å; S47-R61 CarbonylContact O-C 3.56Å; S47-R61 WeakPolarHBondContact O-CA 3.49Å; S47-L62 PolarHBondContact O-N 3.17Å
48	Y	77.6	Confident	76	Confident	63 Å²	63	59.7 Å²	59.7	25%	0.247	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	137.3	-169.1	175.1	-73.4	0	0	0	110.4	F43 E44 N45 Y50 L59 I60 R61	F43-Y48 HydrophobicContact CB-CE1 4.33Å; F43-Y48 AromaticContact CD1-CD1 3.36Å; F43-Y48 HydrophobicContact CD1-CD1 3.36Å; F43-Y48 AromaticContact CD1-CE1 3.4Å; F43-Y48 HydrophobicContact CD1-CE1 3.4Å; F43-Y48 VanDerWaalsContact CD1-CE1 3.4Å; F43-Y48 HydrophobicContact CD1-CG 4.48Å; F43-Y48 AromaticContact CE1-CD1 3.73Å; F43-Y48 HydrophobicContact CE1-CD1 3.73Å; F43-Y48 HydrophobicContact CE1-CE1 4.1Å; F43-Y48 HydrophobicContact CE1-CG 4.49Å; F43-Y48 HydrophobicContact CG-CE1 4.27Å; E44-Y48 CarbonylContact C-O 3.6Å; E44-Y48 WeakPolarHBondContact CA-O 3.44Å; N45-Y48 PolarHBondContact N-O 2.93Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.3Å; N45-Y48 VanDerWaalsContact OD1-CB 3.3Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.43Å; N45-Y48 PolarHBondContact OD1-N 3.3Å; N45-Y48 PolarHBondContact OD1-O 2.87Å; Y48-Y50 VanDerWaalsContact CE1-CB 3.47Å; Y48-Y50 WeakPolarHBondContact OH-CB 2.9Å; Y48-L59 HydrophobicContact CD1-CD1 4.49Å; Y48-L59 HydrophobicContact CD2-CD1 3.55Å; Y48-L59 HydrophobicContact CE1-CD1 4.07Å; Y48-L59 HydrophobicContact CE2-CD1 3.03Å; Y48-L59 HydrophobicContact CE2-CD2 4.42Å; Y48-L59 HydrophobicContact CE2-CG 4.32Å; Y48-L59 HydrophobicContact CG-CD1 4.26Å; Y48-I60 CarbonylContact C-O 3.48Å; Y48-I60 VanDerWaalsContact CA-O 3.3Å; Y48-I60 WeakPolarHBondContact CA-O 3.4Å; Y48-R61 HydrophobicContact CD2-CG 3.92Å
49	E	81.3	Confident	76.4	Confident	23 Å²	23	55.9 Å²	55.9	11%	0.107	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.2	168	-170.4	-172.6	122.5	0	0	109.4	V41 F43 E44 L59 I60 R223	V41-E49 HydrophobicContact CG1-CG 4.27Å; F43-E49 CarbonylContact O-C 3.59Å; F43-E49 WeakPolarHBondContact O-CA 3.25Å; E44-E49 HydrophobicContact CB-CG 4.33Å; E44-E49 HydrophobicContact CG-CB 4.47Å; E44-E49 HydrophobicContact CG-CG 4.21Å; E49-L59 CarbonylContact O-C 3.56Å; E49-L59 WeakPolarHBondContact O-CA 3.44Å; E49-I60 HydrophobicContact CB-CB 4.19Å; E49-I60 PolarHBondContact N-O 2.83Å; E49-I60 PolarHBondContact O-N 2.85Å; E49-R223 IonicContact OE2-CZ 2.75Å; E49-R223 IonicContact OE2-NH2 2.56Å; E49-R223 PolarHBondContact OE2-NH2 2.79Å
50	Y	74.8	Confident	76.4	Confident	65 Å²	65	52.3 Å²	52.3	26%	0.255	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.6	170.9	-179.3	-115.8	0	0	0	109.2	I42 F43 Y48 S57 Q58 L59	I42-Y50 HydrophobicContact CB-CD1 3.7Å; I42-Y50 HydrophobicContact CB-CE1 4.2Å; I42-Y50 HydrophobicContact CD1-CD1 3.87Å; I42-Y50 HydrophobicContact CD1-CE1 3.45Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.45Å; I42-Y50 HydrophobicContact CG1-CD1 4.31Å; I42-Y50 HydrophobicContact CG1-CE1 4.37Å; I42-Y50 HydrophobicContact CG2-CD1 3.87Å; I42-Y50 HydrophobicContact CG2-CE1 4.23Å; I42-Y50 PolarHBondContact N-O 3.12Å; F43-Y50 PolarHBondContact N-O 2.91Å; F43-Y50 PolarHBondContact O-N 3.35Å; Y48-Y50 VanDerWaalsContact CE1-CB 3.47Å; Y48-Y50 WeakPolarHBondContact OH-CB 2.9Å; Y50-S57 WeakPolarHBondContact OH-CB 3.25Å; Y50-S57 PolarHBondContact OH-OG 2.9Å; Y50-S57 VanDerWaalsContact OH-OG 3.09Å; Y50-Q58 WeakPolarHBondContact CA-O 3.4Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.24Å; Y50-L59 HydrophobicContact CD2-CB 4.1Å
51	S	75.2	Confident	76.3	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.4	179.8	61.4	0	0	0	0	110.6	K40 Q58	K40-S51 CarbonylContact O-C 3.53Å; K40-S51 WeakPolarHBondContact O-CA 3.32Å; S51-Q58 PolarHBondContact N-O 3.33Å; S51-Q58 PolarHBondContact O-N 3.11Å
52	H	71.4	Confident	76	Confident	55 Å²	55	48.8 Å²	48.8	26%	0.255	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.2	172.6	-169.6	68.6	0	0	0	108.6	K40 I42 S57	K40-H52 PolarHBondContact N-O 3.23Å; K40-H52 PolarHBondContact O-N 2.85Å; I42-H52 HydrophobicContact CD1-CB 3.74Å; I42-H52 HydrophobicContact CG1-CB 4.46Å; H52-S57 PolarHBondContact ND1-OG 2.83Å
53	N	72.5	Confident	75.9	Confident	11 Å²	11	49.1 Å²	49.1	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	162.2	170.3	-59.3	-79.9	0	0	0	109	Y38 T39 Y55 Y56	Y38-N53 VanDerWaalsContact O-CA 3.3Å; Y38-N53 WeakPolarHBondContact O-CA 3.4Å; T39-N53 WeakPolarHBondContact CB-OD1 3.49Å; T39-N53 VanDerWaalsContact CG2-OD1 3.3Å; T39-N53 WeakPolarHBondContact CG2-OD1 3.46Å; T39-N53 PolarHBondContact OG1-OD1 2.94Å; N53-Y55 VanDerWaalsContact C-N 3.3Å; N53-Y55 PolarHBondContact O-N 3.49Å; N53-Y56 CarbonylContact C-O 3.55Å; N53-Y56 VanDerWaalsContact CA-O 3.31Å; N53-Y56 WeakPolarHBondContact CA-O 3.3Å; N53-Y56 HydrophobicContact CB-CD1 3.61Å; N53-Y56 HydrophobicContact CB-CD2 4.12Å; N53-Y56 HydrophobicContact CB-CE1 3.44Å; N53-Y56 VanDerWaalsContact CB-CE1 3.44Å; N53-Y56 HydrophobicContact CB-CE2 4Å; N53-Y56 HydrophobicContact CB-CG 3.94Å; N53-Y56 VanDerWaalsContact CB-O 3.31Å; N53-Y56 WeakPolarHBondContact CB-O 3.46Å; N53-Y56 VanDerWaalsContact CG-CZ 3.49Å; N53-Y56 PolarHBondContact N-O 2.72Å; N53-Y56 WeakPolarHBondContact ND2-CE2 3.33Å; N53-Y56 PolarHBondContact O-N 3.05Å
54	Y	65.2	Low	75.7	Confident	45 Å²	45	47.4 Å²	47.4	18%	0.176	23%	0.228	C	C	.	.	S	Bend	trans	-52.5	-45.5	-176	-167.9	-81.8	0	0	0	114.1	K25 I29 L35 Y38	K25-Y54 PolarHBondContact O-OH 3.26Å; I29-Y54 HydrophobicContact CD1-CD1 3.81Å; I29-Y54 HydrophobicContact CD1-CE1 3.01Å; I29-Y54 HydrophobicContact CG1-CD1 4.1Å; I29-Y54 HydrophobicContact CG1-CE1 3.21Å; I29-Y54 HydrophobicContact CG1-CE2 4.1Å; I29-Y54 WeakPolarHBondContact CG1-OH 3.3Å; L35-Y54 HydrophobicContact CB-CD2 3.65Å; L35-Y54 HydrophobicContact CB-CE2 3.69Å; L35-Y54 HydrophobicContact CD1-CE2 3.99Å; L35-Y54 HydrophobicContact CG-CE2 4.37Å; L35-Y54 VanDerWaalsContact O-CB 3.24Å; L35-Y54 WeakPolarHBondContact O-CB 3.33Å; L35-Y54 VanDerWaalsContact O-CD2 3.29Å; L35-Y54 WeakPolarHBondContact O-CD2 3.43Å; Y38-Y54 PolarHBondContact O-N 2.99Å; Y38-Y54 VanDerWaalsContact O-N 3.11Å
55	Y	64.6	Low	75.1	Confident	39 Å²	39	47.5 Å²	47.5	15%	0.153	24%	0.239	C	C	.	.	S	Bend	trans	-95.3	-10.8	-178.1	-62.8	-71.9	0	0	0	113.9	I29 N53	I29-Y55 HydrophobicContact CD1-CE1 3.58Å; I29-Y55 WeakPolarHBondContact CD1-OH 3.3Å; N53-Y55 VanDerWaalsContact C-N 3.3Å; N53-Y55 PolarHBondContact O-N 3.49Å
56	Y	68.4	Low	74.3	Confident	15 Å²	15	46.6 Å²	46.6	6%	0.059	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	146	-166.8	64.6	-79.6	0	0	0	114.5	N53 Q58 M212 F214 V227 M229	N53-Y56 CarbonylContact C-O 3.55Å; N53-Y56 VanDerWaalsContact CA-O 3.31Å; N53-Y56 WeakPolarHBondContact CA-O 3.3Å; N53-Y56 HydrophobicContact CB-CD1 3.61Å; N53-Y56 HydrophobicContact CB-CD2 4.12Å; N53-Y56 HydrophobicContact CB-CE1 3.44Å; N53-Y56 VanDerWaalsContact CB-CE1 3.44Å; N53-Y56 HydrophobicContact CB-CE2 4Å; N53-Y56 HydrophobicContact CB-CG 3.94Å; N53-Y56 VanDerWaalsContact CB-O 3.31Å; N53-Y56 WeakPolarHBondContact CB-O 3.46Å; N53-Y56 VanDerWaalsContact CG-CZ 3.49Å; N53-Y56 PolarHBondContact N-O 2.72Å; N53-Y56 WeakPolarHBondContact ND2-CE2 3.33Å; N53-Y56 PolarHBondContact O-N 3.05Å; Y56-Q58 HydrophobicContact CD2-CB 4.11Å; Y56-Q58 HydrophobicContact CE2-CB 4.04Å; Y56-M212 WeakPolarHBondContact CA-O 3.39Å; Y56-F214 AromaticContact CD2-CD2 3.95Å; Y56-F214 HydrophobicContact CD2-CD2 3.95Å; Y56-F214 HydrophobicContact CD2-CE2 4.39Å; Y56-F214 HydrophobicContact CD2-CG 4.41Å; Y56-F214 AromaticContact CG-CD2 3.97Å; Y56-F214 HydrophobicContact CG-CD2 3.97Å; Y56-F214 AromaticContact CG-CE2 4Å; Y56-F214 HydrophobicContact CG-CE2 4Å; Y56-V227 PolarHBondContact OH-O 2.98Å; Y56-M229 HydrophobicContact CD1-CB 4.17Å; Y56-M229 HydrophobicContact CD1-CE 3.54Å; Y56-M229 HydrophobicContact CD1-CG 3.82Å; Y56-M229 HydrophobicContact CD1-SD 4.47Å; Y56-M229 HydrophobicContact CE1-CB 3.63Å; Y56-M229 HydrophobicContact CE1-CE 4.22Å; Y56-M229 HydrophobicContact CE1-CG 3.51Å; Y56-M229 HydrophobicContact CG-CE 4.01Å; Y56-M229 HydrophobicContact CG-CG 4.49Å; Y56-M229 PolarHBondContact OH-N 3.4Å
57	S	69.3	Low	73.8	Confident	10 Å²	10	44.1 Å²	44.1	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.6	161.5	-69.1	0	0	0	0	109.6	Y50 H52 M212 F214	Y50-S57 WeakPolarHBondContact OH-CB 3.25Å; Y50-S57 PolarHBondContact OH-OG 2.9Å; Y50-S57 VanDerWaalsContact OH-OG 3.09Å; H52-S57 PolarHBondContact ND1-OG 2.83Å; S57-M212 PolarHBondContact N-O 2.95Å; S57-F214 WeakPolarHBondContact O-CA 3.33Å; S57-F214 WeakPolarHBondContact O-CB 3.5Å; S57-F214 PolarHBondContact O-N 2.7Å
58	Q	76.6	Confident	73.4	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.8	175.8	178.6	178.5	9.6	0	0	109.2	Y50 S51 Y56 I60 V216	Y50-Q58 WeakPolarHBondContact CA-O 3.4Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.24Å; S51-Q58 PolarHBondContact N-O 3.33Å; S51-Q58 PolarHBondContact O-N 3.11Å; Y56-Q58 HydrophobicContact CD2-CB 4.11Å; Y56-Q58 HydrophobicContact CE2-CB 4.04Å; Q58-I60 HydrophobicContact CG-CG1 4.04Å; Q58-V216 HydrophobicContact CG-CG2 4.42Å
59	L	77.4	Confident	72.9	Confident	18 Å²	18	42.4 Å²	42.4	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.5	169.6	166.4	56.5	0	0	0	107.6	Y48 E49 Y50 R61 F214 T215 V216	Y48-L59 HydrophobicContact CD1-CD1 4.49Å; Y48-L59 HydrophobicContact CD2-CD1 3.55Å; Y48-L59 HydrophobicContact CE1-CD1 4.07Å; Y48-L59 HydrophobicContact CE2-CD1 3.03Å; Y48-L59 HydrophobicContact CE2-CD2 4.42Å; Y48-L59 HydrophobicContact CE2-CG 4.32Å; Y48-L59 HydrophobicContact CG-CD1 4.26Å; E49-L59 CarbonylContact O-C 3.56Å; E49-L59 WeakPolarHBondContact O-CA 3.44Å; Y50-L59 HydrophobicContact CD2-CB 4.1Å; L59-R61 HydrophobicContact CD1-CG 3.9Å; L59-R61 HydrophobicContact CG-CG 4.16Å; L59-F214 PolarHBondContact N-O 2.77Å; L59-T215 HydrophobicContact CB-CG2 4.17Å; L59-T215 HydrophobicContact CD2-CG2 3.72Å; L59-T215 HydrophobicContact CG-CG2 3.93Å; L59-T215 CarbonylContact O-C 3.6Å; L59-T215 WeakPolarHBondContact O-CA 3.43Å; L59-V216 CarbonylContact C-O 3.48Å; L59-V216 CarbonylContact O-C 3.36Å; L59-V216 WeakPolarHBondContact O-CA 3.23Å; L59-V216 PolarHBondContact O-N 2.87Å
60	I	78	Confident	72	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.6	171.8	-51.6	-179.3	0	0	0	107.4	Y48 E49 Q58 V216 L224	Y48-I60 CarbonylContact C-O 3.48Å; Y48-I60 VanDerWaalsContact CA-O 3.3Å; Y48-I60 WeakPolarHBondContact CA-O 3.4Å; E49-I60 HydrophobicContact CB-CB 4.19Å; E49-I60 PolarHBondContact N-O 2.83Å; E49-I60 PolarHBondContact O-N 2.85Å; Q58-I60 HydrophobicContact CG-CG1 4.04Å; I60-V216 CarbonylContact C-O 3.56Å; I60-V216 WeakPolarHBondContact CA-O 3.24Å; I60-V216 HydrophobicContact CG1-CB 4.42Å; I60-L224 WeakPolarHBondContact CD1-O 3.38Å
61	R	76.8	Confident	71.4	Confident	90 Å²	90	51 Å²	51	34%	0.34	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.3	171.7	-61.4	-174.2	175.1	179.9	0.6	110.1	S47 Y48 L59 Q64 V216 I217 V218	S47-R61 CarbonylContact O-C 3.56Å; S47-R61 WeakPolarHBondContact O-CA 3.49Å; Y48-R61 HydrophobicContact CD2-CG 3.92Å; L59-R61 HydrophobicContact CD1-CG 3.9Å; L59-R61 HydrophobicContact CG-CG 4.16Å; R61-Q64 HydrophobicContact CB-CG 3.6Å; R61-V216 PolarHBondContact N-O 2.92Å; R61-I217 HydrophobicContact CB-CG1 4.28Å; R61-I217 HydrophobicContact CB-CG2 4.42Å; R61-V218 PolarHBondContact O-N 3.36Å
62	L	77	Confident	71.7	Confident	19 Å²	19	55.5 Å²	55.5	10%	0.099	30%	0.299	C	S	.	.	S	Bend	trans	-104	154.1	174.9	-52.7	-176.6	0	0	0	110.4	D46 S47 Q64 V218	D46-L62 WeakPolarHBondContact O-CD1 3.14Å; S47-L62 PolarHBondContact O-N 3.17Å; L62-Q64 PolarHBondContact O-N 2.75Å; L62-V218 CarbonylContact C-O 3.54Å; L62-V218 VanDerWaalsContact C-O 3.24Å; L62-V218 WeakPolarHBondContact CA-O 3.43Å; L62-V218 HydrophobicContact CD2-CB 3.9Å; L62-V218 HydrophobicContact CD2-CG1 4.49Å; L62-V218 HydrophobicContact CD2-CG2 4.26Å
63	N	75.4	Confident	72.6	Confident	102 Å²	102	54 Å²	54	55%	0.545	29%	0.292	S	S	.	.	S	Bend	trans	55.4	41.6	172.7	-50.9	-31.6	0	0	0	114.5	V218 Q219	N63-V218 PolarHBondContact N-O 2.82Å; N63-Q219 VanDerWaalsContact CA-O 3.27Å; N63-Q219 WeakPolarHBondContact CA-O 3.2Å; N63-Q219 PolarHBondContact OD1-O 3.39Å
64	Q	74.1	Confident	73.5	Confident	73 Å²	73	60.5 Å²	60.5	34%	0.341	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-103.9	135.5	176.9	-60.8	-67.4	-81.7	0	0	111.1	R61 L62 I217 Q219	R61-Q64 HydrophobicContact CB-CG 3.6Å; L62-Q64 PolarHBondContact O-N 2.75Å; Q64-I217 HydrophobicContact CB-CG2 3.4Å; Q64-I217 VanDerWaalsContact CB-CG2 3.4Å; Q64-I217 HydrophobicContact CG-CG2 3.69Å; Q64-Q219 WeakPolarHBondContact O-CG 3.29Å; Q64-Q219 PolarHBondContact O-NE2 3.2Å
65	S	74.1	Confident	74.7	Confident	101 Å²	101	65.3 Å²	65.3	71%	0.706	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-63.2	152.5	171.3	-54.9	0	0	0	0	112.5	Q219	S65-Q219 VanDerWaalsContact C-NE2 3.3Å
66	P	69.8	Low	75.9	Confident	52 Å²	52	65.7 Å²	65.7	34%	0.338	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-72.1	143.7	177.7	-2.8	23.4	0	0	0	108.1	V68	P66-V68 VanDerWaalsContact C-N 3.26Å; P66-V68 PolarHBondContact O-N 3.38Å
67	P	70.7	Confident	76.8	Confident	71 Å²	71	71.4 Å²	71.4	46%	0.461	38%	0.381	S	S	.	.	S	Bend	trans	-82.6	-6.3	-175	34	-37.3	0	0	0	112.6	L160 Y170	P67-L160 HydrophobicContact CG-CD1 3.26Å; P67-Y170 WeakPolarHBondContact CD-OH 3.15Å; P67-Y170 HydrophobicContact CG-CE1 4.25Å; P67-Y170 HydrophobicContact CG-CE2 3.86Å; P67-Y170 WeakPolarHBondContact CG-OH 3.38Å
68	V	72	Confident	77.4	Confident	21 Å²	21	74.5 Å²	74.5	13%	0.127	40%	0.396	C	S	.	.	S	Bend	trans	-116.9	129.6	-176.5	-166.8	0	0	0	0	109	P66 I72 F73 L137 A139 L160	P66-V68 VanDerWaalsContact C-N 3.26Å; P66-V68 PolarHBondContact O-N 3.38Å; V68-I72 HydrophobicContact CG1-CD1 4.32Å; V68-F73 HydrophobicContact CB-CE2 4.08Å; V68-F73 HydrophobicContact CB-CZ 4.28Å; V68-F73 HydrophobicContact CG1-CE2 3.61Å; V68-F73 HydrophobicContact CG1-CZ 3.96Å; V68-L137 HydrophobicContact CG2-CD1 4.18Å; V68-L137 HydrophobicContact CG2-CD2 4.26Å; V68-A139 HydrophobicContact CG2-CB 4.45Å; V68-L160 HydrophobicContact CG2-CD1 4.22Å; V68-L160 HydrophobicContact CG2-CD2 3.8Å
69	S	65.8	Low	77.9	Confident	64 Å²	64	78.2 Å²	78.2	45%	0.448	42%	0.416	S	S	.	.			trans	-75.1	155.6	173.8	60.3	0	0	0	0	111.4	D71	S69-D71 PolarHBondContact O-N 2.75Å
70	N	63.1	Low	78.5	Confident	114 Å²	114	79 Å²	79	61%	0.61	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-62.8	-23.2	-178.2	-75.4	-16.4	0	0	0	113.9	I72 F73 R141	N70-I72 PolarHBondContact O-N 3.37Å; N70-I72 VanDerWaalsContact O-N 3.15Å; N70-F73 PolarHBondContact O-N 3.47Å; N70-R141 PolarHBondContact OD1-NH1 2.88Å
71	D	61.6	Low	79.2	Confident	153 Å²	153	82.1 Å²	82.1	82%	0.818	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-74.3	-6.5	-167.7	-52.7	-37.8	0	0	0	114.4	S69	S69-D71 PolarHBondContact O-N 2.75Å
72	I	82.8	Confident	79.9	Confident	97 Å²	97	78.6 Å²	78.6	50%	0.497	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-105.3	0.8	-174.9	-32.8	-178.9	0	0	0	112.3	V68 N70 S132	V68-I72 HydrophobicContact CG1-CD1 4.32Å; N70-I72 PolarHBondContact O-N 3.37Å; N70-I72 VanDerWaalsContact O-N 3.15Å; I72-S132 WeakPolarHBondContact CG2-OG 3.32Å; I72-S132 WeakPolarHBondContact O-CB 3.38Å; I72-S132 PolarHBondContact O-OG 3.02Å
73	F	89.2	Confident	80.6	Confident	24 Å²	24	80.8 Å²	80.8	11%	0.105	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-96.4	129.8	-176	-76	-82.4	0	0	0	111.8	V68 N70 E130 A139 R141 T158	V68-F73 HydrophobicContact CB-CE2 4.08Å; V68-F73 HydrophobicContact CB-CZ 4.28Å; V68-F73 HydrophobicContact CG1-CE2 3.61Å; V68-F73 HydrophobicContact CG1-CZ 3.96Å; N70-F73 PolarHBondContact O-N 3.47Å; F73-E130 HydrophobicContact CB-CB 4.09Å; F73-E130 HydrophobicContact CD1-CB 4Å; F73-E130 HydrophobicContact CG-CB 4.36Å; F73-A139 HydrophobicContact CE1-CB 3.52Å; F73-A139 HydrophobicContact CZ-CB 3.56Å; F73-R141 HydrophobicContact CD1-CB 4.22Å; F73-R141 HydrophobicContact CE1-CB 3.84Å; F73-R141 HydrophobicContact CZ-CB 4.31Å; F73-T158 HydrophobicContact CZ-CG2 4.18Å
74	E	90.7	Very high	81.3	Confident	147 Å²	147	76.9 Å²	76.9	69%	0.687	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.8	170.3	-66.1	177.4	-176.6	0	0	109.5	E130 I131	E74-E130 CarbonylContact O-C 3.49Å; E74-E130 VanDerWaalsContact O-CA 3.28Å; E74-E130 WeakPolarHBondContact O-CA 3.34Å; E74-I131 PolarHBondContact N-O 2.73Å; E74-I131 PolarHBondContact O-N 2.69Å
75	K	90.9	Very high	82.2	Confident	146 Å²	146	75.9 Å²	75.9	64%	0.635	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.4	172	-71.3	-175.7	178.8	-168.5	0	109.8	E130	K75-E130 HydrophobicContact CG-CG 3.71Å
76	V	89.6	Confident	82.9	Confident	47 Å²	47	72.3 Å²	72.3	29%	0.285	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	168.7	-178.5	-62.8	0	0	0	0	110.6	V80 L129 I131	V76-V80 HydrophobicContact CG2-CG1 3.99Å; V76-L129 HydrophobicContact CG2-CB 4.09Å; V76-L129 HydrophobicContact CG2-CD2 3.78Å; V76-L129 HydrophobicContact CG2-CG 3.55Å; V76-L129 PolarHBondContact N-O 3.19Å; V76-I131 HydrophobicContact CG2-CD1 3.69Å; V76-I131 HydrophobicContact CG2-CG1 3.78Å
77	D	87.4	Confident	83.7	Confident	134 Å²	134	75.1 Å²	75.1	72%	0.717	42%	0.421	S	S	*	.			trans	-58.9	148.8	172.1	-66.8	-31.6	0	0	0	111.1	D79 L129	D77-D79 PolarHBondContact O-N 3.49Å; D77-D79 VanDerWaalsContact O-N 3.11Å; D77-L129 WeakPolarHBondContact O-CD2 3.21Å
78	I	83	Confident	84.1	Confident	75 Å²	75	71.9 Å²	71.9	39%	0.385	40%	0.4	S	S	.	.	S	Bend	trans	-60.3	-25.1	-173.8	-71.8	176.7	0	0	0	112.5	E101 G102	I78-E101 CarbonylContact O-C 3.44Å; I78-G102 WeakPolarHBondContact O-CA 3.36Å; I78-G102 PolarHBondContact O-N 2.96Å
79	D	85.8	Confident	84.2	Confident	89 Å²	89	75.9 Å²	75.9	48%	0.476	42%	0.416	S	S	.	.	S	Bend	trans	-121.5	112.7	173.9	-67.2	-39.8	0	0	0	110.8	D77 I100 E101 G102	D77-D79 PolarHBondContact O-N 3.49Å; D77-D79 VanDerWaalsContact O-N 3.11Å; D79-I100 WeakPolarHBondContact CA-O 3.42Å; D79-E101 VanDerWaalsContact OD1-CA 3.23Å; D79-E101 WeakPolarHBondContact OD1-CA 3.21Å; D79-G102 PolarHBondContact OD1-N 3.49Å
80	V	91.3	Very high	84.4	Confident	33 Å²	33	73 Å²	73	20%	0.2	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.3	-171.4	68.8	0	0	0	0	113.4	V76 V82 Y99 I100 L129 I131	V76-V80 HydrophobicContact CG2-CG1 3.99Å; V80-V82 HydrophobicContact CG1-CG2 4.22Å; V80-Y99 WeakPolarHBondContact O-CA 3.21Å; V80-I100 HydrophobicContact CG1-CB 4.2Å; V80-I100 HydrophobicContact CG1-CD1 4.18Å; V80-I100 PolarHBondContact N-O 2.85Å; V80-I100 PolarHBondContact O-N 2.71Å; V80-L129 HydrophobicContact CG1-CD2 3.61Å; V80-I131 HydrophobicContact CG1-CD1 3.6Å
81	S	91.4	Very high	84.5	Confident	72 Å²	72	69.7 Å²	69.7	50%	0.503	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.6	170.3	-175	0	0	0	0	110.4	L98	S81-L98 CarbonylContact C-O 3.57Å; S81-L98 VanDerWaalsContact CA-O 3.27Å; S81-L98 WeakPolarHBondContact CA-O 3.32Å
82	V	91.2	Very high	84.6	Confident	16 Å²	16	65.8 Å²	65.8	10%	0.097	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.7	179.8	-177.4	0	0	0	0	110.1	V80 P84 R97 L98 I100 I131 L138	V80-V82 HydrophobicContact CG1-CG2 4.22Å; V82-P84 WeakPolarHBondContact O-CD 3.3Å; V82-R97 CarbonylContact O-C 3.48Å; V82-R97 WeakPolarHBondContact O-CA 3.38Å; V82-L98 PolarHBondContact N-O 3.28Å; V82-L98 PolarHBondContact O-N 2.79Å; V82-I100 HydrophobicContact CG2-CD1 3.84Å; V82-I131 HydrophobicContact CG1-CG2 4.49Å; V82-I131 HydrophobicContact CG2-CD1 3.52Å; V82-I131 HydrophobicContact CG2-CG2 4.34Å; V82-L138 HydrophobicContact CG1-CD1 4.09Å
83	A	92.3	Very high	84	Confident	65 Å²	65	63.3 Å²	63.3	54%	0.537	34%	0.341	S	S	.	.			trans	-92.5	114.1	167.1	0	0	0	0	0	108.8	N133	A83-N133 PolarHBondContact O-ND2 2.79Å
84	P	90.7	Very high	83.6	Confident	20 Å²	20	65.5 Å²	65.5	13%	0.13	35%	0.354	C	S	.	.			trans	-55.5	142.9	177.7	-26.1	34.7	0	0	0	112.6	V82 F86 I88 L98 N133 L138	V82-P84 WeakPolarHBondContact O-CD 3.3Å; P84-F86 WeakPolarHBondContact CB-O 3.31Å; P84-F86 PolarHBondContact O-N 2.85Å; P84-I88 HydrophobicContact CB-CD1 3.8Å; P84-I88 HydrophobicContact CB-CG1 4.36Å; P84-I88 HydrophobicContact CG-CD1 3.6Å; P84-I88 HydrophobicContact CG-CG1 4.44Å; P84-L98 HydrophobicContact CG-CD1 3.16Å; P84-N133 WeakPolarHBondContact CA-OD1 3.47Å; P84-L138 HydrophobicContact CG-CD2 4.29Å
85	A	92.3	Very high	83.2	Confident	52 Å²	52	58.7 Å²	58.7	43%	0.43	32%	0.323	S	S	.	.	S	Bend	trans	-70.5	4.5	175.2	0	0	0	0	0	114.1	N133	A85-N133 PolarHBondContact N-OD1 3.41Å
86	F	89.5	Confident	83	Confident	27 Å²	27	55.8 Å²	55.8	12%	0.118	31%	0.314	C	S	.	.	S	Bend	trans	-147.1	155	-177.7	51	-88.6	0	0	0	110.3	P84 I88 G134 L137 L138 I161 P163	P84-F86 WeakPolarHBondContact CB-O 3.31Å; P84-F86 PolarHBondContact O-N 2.85Å; F86-I88 HydrophobicContact CD2-CD1 4.11Å; F86-I88 HydrophobicContact CD2-CG1 3.49Å; F86-I88 VanDerWaalsContact CD2-CG1 3.49Å; F86-I88 HydrophobicContact CE2-CD1 3.47Å; F86-I88 VanDerWaalsContact CE2-CD1 3.47Å; F86-I88 HydrophobicContact CE2-CG1 3.27Å; F86-I88 HydrophobicContact CZ-CD1 4.04Å; F86-I88 HydrophobicContact CZ-CG1 4.3Å; F86-I88 PolarHBondContact O-N 3.12Å; F86-G134 WeakPolarHBondContact CD1-O 3.31Å; F86-G134 WeakPolarHBondContact CE1-O 3.43Å; F86-L137 VanDerWaalsContact CE1-C 3.46Å; F86-L138 HydrophobicContact CE1-CB 4.05Å; F86-L138 HydrophobicContact CZ-CB 3.82Å; F86-I161 VanDerWaalsContact CZ-O 3.31Å; F86-I161 WeakPolarHBondContact CZ-O 3.19Å; F86-P163 HydrophobicContact CB-CB 4.41Å; F86-P163 HydrophobicContact CB-CG 4.18Å; F86-P163 HydrophobicContact CD1-CG 4.22Å; F86-P163 HydrophobicContact CD2-CB 3.78Å; F86-P163 HydrophobicContact CD2-CG 3.63Å; F86-P163 HydrophobicContact CE2-CB 4.32Å; F86-P163 HydrophobicContact CE2-CG 3.97Å; F86-P163 HydrophobicContact CG-CB 4.22Å; F86-P163 HydrophobicContact CG-CG 3.75Å; F86-P163 HydrophobicContact CZ-CG 4.47Å
87	L	85.5	Confident	83	Confident	111 Å²	111	58.8 Å²	58.8	58%	0.581	32%	0.32	S	S	*	.			trans	-73	122.9	176.4	-172.6	69.6	0	0	0	110.2	D94	L87-D94 HydrophobicContact CD1-CB 4.04Å
88	I	80.1	Confident	83.1	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.1	173.6	-59.5	170.8	0	0	0	108.4	P84 F86 V95 I161	P84-I88 HydrophobicContact CB-CD1 3.8Å; P84-I88 HydrophobicContact CB-CG1 4.36Å; P84-I88 HydrophobicContact CG-CD1 3.6Å; P84-I88 HydrophobicContact CG-CG1 4.44Å; F86-I88 HydrophobicContact CD2-CD1 4.11Å; F86-I88 HydrophobicContact CD2-CG1 3.49Å; F86-I88 VanDerWaalsContact CD2-CG1 3.49Å; F86-I88 HydrophobicContact CE2-CD1 3.47Å; F86-I88 VanDerWaalsContact CE2-CD1 3.47Å; F86-I88 HydrophobicContact CE2-CG1 3.27Å; F86-I88 HydrophobicContact CZ-CD1 4.04Å; F86-I88 HydrophobicContact CZ-CG1 4.3Å; F86-I88 PolarHBondContact O-N 3.12Å; I88-V95 HydrophobicContact CB-CB 4.22Å; I88-V95 HydrophobicContact CG2-CB 4.48Å; I88-V95 PolarHBondContact O-N 2.96Å; I88-I161 HydrophobicContact CD1-CG2 3.69Å; I88-I161 HydrophobicContact CG1-CG2 4.47Å
89	K	74.7	Confident	83.4	Confident	105 Å²	105	52.3 Å²	52.3	46%	0.457	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.7	168.8	-70	-172.6	173.3	-171.7	0	110.1	N93 D94	K89-N93 WeakPolarHBondContact CA-O 3.39Å; K89-D94 WeakPolarHBondContact CE-OD1 3.18Å; K89-D94 WeakPolarHBondContact CG-OD1 3.11Å
90	F	69.4	Low	83.4	Confident	3 Å²	3	48.1 Å²	48.1	1%	0.013	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.2	173.1	-157.3	-103.6	0	0	0	108.2	D92 N93 V95 M108 E115 I167 M212	F90-D92 PolarHBondContact O-N 2.82Å; F90-N93 PolarHBondContact N-O 2.99Å; F90-N93 PolarHBondContact O-N 2.96Å; F90-V95 HydrophobicContact CB-CG2 3.69Å; F90-M108 HydrophobicContact CB-CE 4.49Å; F90-M108 HydrophobicContact CB-SD 4.27Å; F90-M108 HydrophobicContact CD1-CE 3.53Å; F90-M108 HydrophobicContact CD1-SD 4.38Å; F90-M108 HydrophobicContact CD2-CE 3.56Å; F90-M108 HydrophobicContact CD2-SD 3.75Å; F90-M108 HydrophobicContact CE1-CE 3.4Å; F90-M108 VanDerWaalsContact CE1-CE 3.4Å; F90-M108 HydrophobicContact CE2-CE 3.46Å; F90-M108 VanDerWaalsContact CE2-CE 3.46Å; F90-M108 HydrophobicContact CE2-SD 4.14Å; F90-M108 HydrophobicContact CG-CE 3.62Å; F90-M108 HydrophobicContact CG-SD 3.9Å; F90-M108 HydrophobicContact CZ-CE 3.43Å; F90-M108 VanDerWaalsContact CZ-CE 3.43Å; F90-E115 HydrophobicContact CD1-CB 3.48Å; F90-E115 VanDerWaalsContact CD1-CB 3.48Å; F90-E115 HydrophobicContact CD1-CG 3.74Å; F90-E115 WeakPolarHBondContact CD1-OE2 3.45Å; F90-E115 HydrophobicContact CE1-CB 3.34Å; F90-E115 HydrophobicContact CE1-CG 3.8Å; F90-E115 WeakPolarHBondContact CE1-OE2 3.24Å; F90-I167 HydrophobicContact CE2-CD1 3.99Å; F90-M212 HydrophobicContact CD2-CE 3.42Å; F90-M212 VanDerWaalsContact CD2-CE 3.42Å; F90-M212 HydrophobicContact CD2-SD 3.57Å; F90-M212 VanDerWaalsContact CD2-SD 3.57Å; F90-M212 HydrophobicContact CE2-CE 3.33Å; F90-M212 HydrophobicContact CE2-SD 3.3Å; F90-M212 WeakPolarHBondContact CE2-SD 3.41Å; F90-M212 HydrophobicContact CG-SD 4.43Å; F90-M212 HydrophobicContact CZ-CE 4.47Å; F90-M212 HydrophobicContact CZ-SD 3.99Å
91	Y	64.6	Low	82.9	Confident	45 Å²	45	48.5 Å²	48.5	18%	0.176	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.2	55.5	-171.7	-68.9	-91.1	0	0	0	114.2	N93 E115 A189 W209 M212 M229	Y91-N93 PolarHBondContact O-N 2.71Å; Y91-N93 VanDerWaalsContact O-N 3.09Å; Y91-N93 PolarHBondContact O-ND2 3.5Å; Y91-E115 WeakPolarHBondContact CB-OE1 3.33Å; Y91-E115 WeakPolarHBondContact CD2-OE1 3.35Å; Y91-E115 WeakPolarHBondContact CD2-OE2 3.48Å; Y91-E115 VanDerWaalsContact CE2-OE2 3.29Å; Y91-E115 WeakPolarHBondContact CE2-OE2 3.21Å; Y91-A189 HydrophobicContact CE2-CB 4.33Å; Y91-W209 HydrophobicContact CD1-CZ3 4.4Å; Y91-W209 HydrophobicContact CE1-CZ3 4.42Å; Y91-M212 HydrophobicContact CE2-SD 4.28Å; Y91-M229 WeakPolarHBondContact OH-CE 3.27Å
92	D	65	Low	82	Confident	71 Å²	71	45.9 Å²	45.9	38%	0.38	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	3.5	-178.4	-71.9	-34.1	0	0	0	116.2	F90 R208 W210	F90-D92 PolarHBondContact O-N 2.82Å; D92-R208 VanDerWaalsContact OD2-O 3.06Å; D92-W210 PolarHBondContact OD1-NE1 2.72Å
93	N	70.1	Confident	81.1	Confident	44 Å²	44	47.5 Å²	47.5	24%	0.235	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.1	171.2	-55	-61.1	0	0	0	109.6	K89 F90 Y91 V95 V114	K89-N93 WeakPolarHBondContact CA-O 3.39Å; F90-N93 PolarHBondContact N-O 2.99Å; F90-N93 PolarHBondContact O-N 2.96Å; Y91-N93 PolarHBondContact O-N 2.71Å; Y91-N93 VanDerWaalsContact O-N 3.09Å; Y91-N93 PolarHBondContact O-ND2 3.5Å; N93-V95 PolarHBondContact O-N 2.98Å; N93-V114 HydrophobicContact CB-CG1 3.92Å; N93-V114 HydrophobicContact CB-CG2 4.34Å
94	D	81.1	Confident	80.3	Confident	71 Å²	71	44.4 Å²	44.4	38%	0.38	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.4	172.8	-67	-42.7	0	0	0	109	L87 K89 S110	L87-D94 HydrophobicContact CD1-CB 4.04Å; K89-D94 WeakPolarHBondContact CE-OD1 3.18Å; K89-D94 WeakPolarHBondContact CG-OD1 3.11Å; D94-S110 WeakPolarHBondContact O-CB 3.31Å; D94-S110 PolarHBondContact O-OG 2.89Å
95	V	81.7	Confident	79.6	Confident	4 Å²	4	44 Å²	44	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.7	176.3	176.5	0	0	0	0	108.3	I88 F90 N93 L98 M108 Y109	I88-V95 HydrophobicContact CB-CB 4.22Å; I88-V95 HydrophobicContact CG2-CB 4.48Å; I88-V95 PolarHBondContact O-N 2.96Å; F90-V95 HydrophobicContact CB-CG2 3.69Å; N93-V95 PolarHBondContact O-N 2.98Å; V95-L98 HydrophobicContact CG1-CD1 4.02Å; V95-L98 HydrophobicContact CG1-CG 4.45Å; V95-M108 HydrophobicContact CG1-CB 3.8Å; V95-M108 HydrophobicContact CG1-CG 3.99Å; V95-M108 HydrophobicContact CG2-CB 4Å; V95-M108 HydrophobicContact CG2-CG 4.42Å; V95-M108 HydrophobicContact CG2-SD 4.34Å; V95-Y109 CarbonylContact C-O 3.48Å; V95-Y109 WeakPolarHBondContact CA-O 3.42Å; V95-Y109 WeakPolarHBondContact CG1-O 3.07Å
96	D	86.7	Confident	79.2	Confident	85 Å²	85	41.6 Å²	41.6	46%	0.455	21%	0.206	S	C	.	.			trans	-94.7	-29.8	-178.4	63.2	-1.5	0	0	0	112.8	Y109 S110	D96-Y109 PolarHBondContact N-O 3.22Å; D96-S110 WeakPolarHBondContact OD1-CA 3.46Å; D96-S110 PolarHBondContact OD1-N 2.87Å
97	R	90	Very high	78.8	Confident	110 Å²	110	43 Å²	43	42%	0.415	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155	177.4	67.6	-170.1	160.4	170.6	-3.5	112.3	V82 Y109	V82-R97 CarbonylContact O-C 3.48Å; V82-R97 WeakPolarHBondContact O-CA 3.38Å; R97-Y109 HydrophobicContact CG-CD2 4.31Å; R97-Y109 HydrophobicContact CG-CG 4.22Å; R97-Y109 PolarHBondContact O-N 2.77Å
98	L	89.1	Confident	78.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.9	169.1	-66.9	82.7	0	0	0	108.7	S81 V82 P84 V95 I106 R107 M108 L138 I161	S81-L98 CarbonylContact C-O 3.57Å; S81-L98 VanDerWaalsContact CA-O 3.27Å; S81-L98 WeakPolarHBondContact CA-O 3.32Å; V82-L98 PolarHBondContact N-O 3.28Å; V82-L98 PolarHBondContact O-N 2.79Å; P84-L98 HydrophobicContact CG-CD1 3.16Å; V95-L98 HydrophobicContact CG1-CD1 4.02Å; V95-L98 HydrophobicContact CG1-CG 4.45Å; L98-I106 HydrophobicContact CB-CG2 4.27Å; L98-I106 HydrophobicContact CD2-CG2 3.6Å; L98-I106 HydrophobicContact CG-CG2 4.37Å; L98-R107 CarbonylContact C-O 3.41Å; L98-R107 WeakPolarHBondContact CA-O 3.47Å; L98-M108 HydrophobicContact CD2-CG 4.16Å; L98-M108 HydrophobicContact CG-CG 4.04Å; L98-L138 HydrophobicContact CD1-CD2 4.13Å; L98-L138 HydrophobicContact CD2-CD2 3.94Å; L98-I161 HydrophobicContact CD2-CD1 3.45Å; L98-I161 VanDerWaalsContact CD2-CD1 3.45Å
99	Y	88.1	Confident	78.6	Confident	73 Å²	73	39.7 Å²	39.7	29%	0.286	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.6	168.4	-176.1	-111.2	0	0	0	108.2	V80 E101 I106 R107	V80-Y99 WeakPolarHBondContact O-CA 3.21Å; Y99-E101 HydrophobicContact CD1-CG 3.87Å; Y99-E101 HydrophobicContact CE1-CG 3.6Å; Y99-I106 CarbonylContact O-C 3.58Å; Y99-I106 WeakPolarHBondContact O-CA 3.32Å; Y99-R107 PolarHBondContact N-O 3.04Å; Y99-R107 PolarHBondContact O-N 3.11Å
100	I	86.8	Confident	78.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.8	-178.2	-56	158.2	0	0	0	106.2	D79 V80 V82 T105 I106 L129 I131 I140	D79-I100 WeakPolarHBondContact CA-O 3.42Å; V80-I100 HydrophobicContact CG1-CB 4.2Å; V80-I100 HydrophobicContact CG1-CD1 4.18Å; V80-I100 PolarHBondContact N-O 2.85Å; V80-I100 PolarHBondContact O-N 2.71Å; V82-I100 HydrophobicContact CG2-CD1 3.84Å; I100-T105 WeakPolarHBondContact CA-O 3.34Å; I100-I106 HydrophobicContact CG1-CG1 4.3Å; I100-I106 HydrophobicContact CG1-CG2 4.38Å; I100-I106 HydrophobicContact CG2-CG1 4.36Å; I100-L129 HydrophobicContact CB-CD2 4.11Å; I100-L129 HydrophobicContact CG2-CD1 3.88Å; I100-L129 HydrophobicContact CG2-CD2 3.64Å; I100-L129 HydrophobicContact CG2-CG 4.47Å; I100-I131 HydrophobicContact CD1-CD1 3.37Å; I100-I131 HydrophobicContact CD1-CG1 4.36Å; I100-I140 HydrophobicContact CD1-CD1 3.6Å; I100-I140 HydrophobicContact CD1-CG1 3.78Å; I100-I140 HydrophobicContact CD1-CG2 4.04Å; I100-I140 HydrophobicContact CG1-CD1 4Å; I100-I140 HydrophobicContact CG2-CG2 4.13Å
101	E	80.2	Confident	78.5	Confident	41 Å²	41	44.8 Å²	44.8	19%	0.192	22%	0.219	C	C	.	.			trans	-90.6	152.6	175.4	-63.1	-168	146.9	0	0	111.1	I78 D79 Y99 S103 G104 T105 R107	I78-E101 CarbonylContact O-C 3.44Å; D79-E101 VanDerWaalsContact OD1-CA 3.23Å; D79-E101 WeakPolarHBondContact OD1-CA 3.21Å; Y99-E101 HydrophobicContact CD1-CG 3.87Å; Y99-E101 HydrophobicContact CE1-CG 3.6Å; E101-S103 PolarHBondContact O-N 2.79Å; E101-S103 PolarHBondContact OE2-OG 2.83Å; E101-G104 WeakPolarHBondContact O-CA 3.37Å; E101-G104 PolarHBondContact O-N 2.56Å; E101-T105 PolarHBondContact N-O 2.79Å; E101-T105 VanDerWaalsContact OE2-CB 3.32Å; E101-T105 WeakPolarHBondContact OE2-CB 3.21Å; E101-R107 VanDerWaalsContact CD-CZ 3.47Å; E101-R107 VanDerWaalsContact CD-NH1 3.26Å; E101-R107 IonicContact OE1-CZ 2.62Å; E101-R107 IonicContact OE1-NH1 2.88Å; E101-R107 PolarHBondContact OE1-NH1 3.39Å; E101-R107 IonicContact OE1-NH2 3.11Å; E101-R107 PolarHBondContact OE1-NH2 2.8Å; E101-R107 IonicContact OE2-CZ 3.93Å; E101-R107 IonicContact OE2-NH1 2.91Å; E101-R107 IonicContact OE2-NH2 3.18Å; E101-R107 PolarHBondContact OE2-NH2 2.89Å
102	G	73	Confident	78.4	Confident	17 Å²	17	43.2 Å²	43.2	18%	0.175	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-8.3	170.7	0	0	0	0	0	115.7	I78 D79 G104 V126	I78-G102 WeakPolarHBondContact O-CA 3.36Å; I78-G102 PolarHBondContact O-N 2.96Å; D79-G102 PolarHBondContact OD1-N 3.49Å; G102-G104 VanDerWaalsContact C-N 3.28Å; G102-V126 VanDerWaalsContact O-CB 3.24Å; G102-V126 WeakPolarHBondContact O-CB 3.43Å; G102-V126 WeakPolarHBondContact O-CG2 3.44Å
103	S	72.3	Confident	78.1	Confident	50 Å²	50	42.6 Å²	42.6	35%	0.35	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13	169.7	63.9	0	0	0	0	113	E101 T105 F120 Y144	E101-S103 PolarHBondContact O-N 2.79Å; E101-S103 PolarHBondContact OE2-OG 2.83Å; S103-T105 WeakPolarHBondContact OG-CB 3.34Å; S103-T105 PolarHBondContact OG-N 2.75Å; S103-T105 PolarHBondContact OG-OG1 2.98Å; S103-F120 WeakPolarHBondContact O-CA 3.42Å; S103-F120 VanDerWaalsContact O-CB 3.3Å; S103-F120 WeakPolarHBondContact O-CB 3.45Å; S103-Y144 PolarHBondContact O-OH 3.48Å
104	G	74.9	Confident	77.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	87.8	8	-166.8	0	0	0	0	0	114.7	E101 G102 I106 N119 Y144	E101-G104 WeakPolarHBondContact O-CA 3.37Å; E101-G104 PolarHBondContact O-N 2.56Å; G102-G104 VanDerWaalsContact C-N 3.28Å; G104-I106 PolarHBondContact O-N 2.99Å; G104-N119 CarbonylContact C-O 3.6Å; G104-N119 WeakPolarHBondContact CA-O 3.42Å; G104-N119 PolarHBondContact O-N 2.76Å; G104-Y144 WeakPolarHBondContact CA-OH 3.41Å
105	T	77.4	Confident	76.7	Confident	13 Å²	13	38.3 Å²	38.3	8%	0.08	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.5	172.2	-61.1	0	0	0	0	111	I100 E101 S103 R107 V118	I100-T105 WeakPolarHBondContact CA-O 3.34Å; E101-T105 PolarHBondContact N-O 2.79Å; E101-T105 VanDerWaalsContact OE2-CB 3.32Å; E101-T105 WeakPolarHBondContact OE2-CB 3.21Å; S103-T105 WeakPolarHBondContact OG-CB 3.34Å; S103-T105 PolarHBondContact OG-N 2.75Å; S103-T105 PolarHBondContact OG-OG1 2.98Å; T105-R107 HydrophobicContact CG2-CG 3.86Å; T105-V118 HydrophobicContact CG2-CG1 4.49Å; T105-V118 HydrophobicContact CG2-CG2 3.99Å; T105-V118 WeakPolarHBondContact OG1-CG1 3.38Å
106	I	82	Confident	75.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	102.9	176.7	-57.1	166.9	0	0	0	108.8	L98 Y99 I100 G104 G116 I117 I140	L98-I106 HydrophobicContact CB-CG2 4.27Å; L98-I106 HydrophobicContact CD2-CG2 3.6Å; L98-I106 HydrophobicContact CG-CG2 4.37Å; Y99-I106 CarbonylContact O-C 3.58Å; Y99-I106 WeakPolarHBondContact O-CA 3.32Å; I100-I106 HydrophobicContact CG1-CG1 4.3Å; I100-I106 HydrophobicContact CG1-CG2 4.38Å; I100-I106 HydrophobicContact CG2-CG1 4.36Å; G104-I106 PolarHBondContact O-N 2.99Å; I106-G116 CarbonylContact O-C 3.53Å; I106-G116 WeakPolarHBondContact O-CA 3.22Å; I106-I117 CarbonylContact C-O 3.24Å; I106-I117 WeakPolarHBondContact CA-O 3.39Å; I106-I117 HydrophobicContact CB-CB 4.19Å; I106-I117 PolarHBondContact N-O 3.2Å; I106-I117 CarbonylContact O-C 3.58Å; I106-I117 PolarHBondContact O-N 3.19Å; I106-I140 HydrophobicContact CD1-CD1 3.72Å; I106-I140 HydrophobicContact CD1-CG2 4.34Å; I106-I140 HydrophobicContact CG1-CD1 4.25Å; I106-I140 HydrophobicContact CG2-CD1 4.25Å
107	R	81	Confident	74.4	Confident	56 Å²	56	34.4 Å²	34.4	21%	0.211	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.4	176.9	-61	-160.8	-171.7	97.9	12.1	111.2	L98 Y99 E101 T105 Y109	L98-R107 CarbonylContact C-O 3.41Å; L98-R107 WeakPolarHBondContact CA-O 3.47Å; Y99-R107 PolarHBondContact N-O 3.04Å; Y99-R107 PolarHBondContact O-N 3.11Å; E101-R107 VanDerWaalsContact CD-CZ 3.47Å; E101-R107 VanDerWaalsContact CD-NH1 3.26Å; E101-R107 IonicContact OE1-CZ 2.62Å; E101-R107 IonicContact OE1-NH1 2.88Å; E101-R107 PolarHBondContact OE1-NH1 3.39Å; E101-R107 IonicContact OE1-NH2 3.11Å; E101-R107 PolarHBondContact OE1-NH2 2.8Å; E101-R107 IonicContact OE2-CZ 3.93Å; E101-R107 IonicContact OE2-NH1 2.91Å; E101-R107 IonicContact OE2-NH2 3.18Å; E101-R107 PolarHBondContact OE2-NH2 2.89Å; T105-R107 HydrophobicContact CG2-CG 3.86Å; R107-Y109 HydrophobicContact CB-CD2 4.32Å; R107-Y109 HydrophobicContact CB-CE2 3.5Å; R107-Y109 VanDerWaalsContact CB-CE2 3.5Å
108	M	81.8	Confident	72.9	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.6	176.7	-69.7	171.9	-66.2	0	0	110.1	F90 V95 L98 V114 E115 I117	F90-M108 HydrophobicContact CB-CE 4.49Å; F90-M108 HydrophobicContact CB-SD 4.27Å; F90-M108 HydrophobicContact CD1-CE 3.53Å; F90-M108 HydrophobicContact CD1-SD 4.38Å; F90-M108 HydrophobicContact CD2-CE 3.56Å; F90-M108 HydrophobicContact CD2-SD 3.75Å; F90-M108 HydrophobicContact CE1-CE 3.4Å; F90-M108 VanDerWaalsContact CE1-CE 3.4Å; F90-M108 HydrophobicContact CE2-CE 3.46Å; F90-M108 VanDerWaalsContact CE2-CE 3.46Å; F90-M108 HydrophobicContact CE2-SD 4.14Å; F90-M108 HydrophobicContact CG-CE 3.62Å; F90-M108 HydrophobicContact CG-SD 3.9Å; F90-M108 HydrophobicContact CZ-CE 3.43Å; F90-M108 VanDerWaalsContact CZ-CE 3.43Å; V95-M108 HydrophobicContact CG1-CB 3.8Å; V95-M108 HydrophobicContact CG1-CG 3.99Å; V95-M108 HydrophobicContact CG2-CB 4Å; V95-M108 HydrophobicContact CG2-CG 4.42Å; V95-M108 HydrophobicContact CG2-SD 4.34Å; L98-M108 HydrophobicContact CD2-CG 4.16Å; L98-M108 HydrophobicContact CG-CG 4.04Å; M108-V114 PolarHBondContact O-N 3.19Å; M108-E115 HydrophobicContact CE-CB 4.21Å; M108-E115 PolarHBondContact N-O 2.94Å; M108-E115 PolarHBondContact O-N 3.33Å; M108-E115 VanDerWaalsContact O-N 3.17Å; M108-E115 VanDerWaalsContact O-O 3.11Å; M108-I117 HydrophobicContact CE-CD1 4.11Å; M108-I117 HydrophobicContact CE-CG1 3.73Å; M108-I117 HydrophobicContact SD-CD1 4.2Å; M108-I117 HydrophobicContact SD-CG1 4.46Å
109	Y	80.6	Confident	71.5	Confident	43 Å²	43	30.1 Å²	30.1	17%	0.169	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	157.2	-179.4	-66.3	-101.5	0	0	0	110.9	V95 D96 R97 R107 G112 P113	V95-Y109 CarbonylContact C-O 3.48Å; V95-Y109 WeakPolarHBondContact CA-O 3.42Å; V95-Y109 WeakPolarHBondContact CG1-O 3.07Å; D96-Y109 PolarHBondContact N-O 3.22Å; R97-Y109 HydrophobicContact CG-CD2 4.31Å; R97-Y109 HydrophobicContact CG-CG 4.22Å; R97-Y109 PolarHBondContact O-N 2.77Å; R107-Y109 HydrophobicContact CB-CD2 4.32Å; R107-Y109 HydrophobicContact CB-CE2 3.5Å; R107-Y109 VanDerWaalsContact CB-CE2 3.5Å; Y109-G112 WeakPolarHBondContact CA-O 3.23Å; Y109-P113 HydrophobicContact CD1-CB 4.15Å; Y109-P113 HydrophobicContact CE1-CB 3.74Å; Y109-P113 HydrophobicContact CE1-CG 4.4Å
110	S	74.8	Confident	70	Confident	27 Å²	27	28.5 Å²	28.5	19%	0.189	16%	0.155	C	C	.	.	S	Bend	trans	-132.9	-123.7	164.7	-171.1	0	0	0	0	104.9	D94 D96 G112	D94-S110 WeakPolarHBondContact O-CB 3.31Å; D94-S110 PolarHBondContact O-OG 2.89Å; D96-S110 WeakPolarHBondContact OD1-CA 3.46Å; D96-S110 PolarHBondContact OD1-N 2.87Å; S110-G112 PolarHBondContact N-O 2.71Å; S110-G112 PolarHBondContact O-N 2.74Å
111	E	68	Low	68.7	Low	189 Å²	189	28.9 Å²	28.9	88%	0.883	16%	0.157	S	C	*	.	S	Bend	trans	-61.1	-7.2	167.7	-62.4	-179.7	173.6	0	0	115.2
112	G	62.2	Low	67.6	Low	12 Å²	12	32.9 Å²	32.9	12%	0.124	17%	0.174	C	C	.	.	S	Bend	trans	-172.7	-175.7	176.8	0	0	0	0	0	109.7	Y109 S110 V114	Y109-G112 WeakPolarHBondContact CA-O 3.23Å; S110-G112 PolarHBondContact N-O 2.71Å; S110-G112 PolarHBondContact O-N 2.74Å; G112-V114 PolarHBondContact O-N 3.46Å
113	P	58.6	Low	67	Low	58 Å²	58	36.8 Å²	36.8	38%	0.377	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	112.2	172.4	23.6	-30.4	0	0	0	107.6	Y109 Y245	Y109-P113 HydrophobicContact CD1-CB 4.15Å; Y109-P113 HydrophobicContact CE1-CB 3.74Å; Y109-P113 HydrophobicContact CE1-CG 4.4Å; P113-Y245 HydrophobicContact CG-CE1 4.22Å
114	V	58.2	Low	66.6	Low	15 Å²	15	35.2 Å²	35.2	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-66.1	174.9	171.6	0	0	0	0	104.6	N93 M108 G112 C190	N93-V114 HydrophobicContact CB-CG1 3.92Å; N93-V114 HydrophobicContact CB-CG2 4.34Å; M108-V114 PolarHBondContact O-N 3.19Å; G112-V114 PolarHBondContact O-N 3.46Å; V114-C190 WeakPolarHBondContact O-CB 3.38Å
115	E	62.6	Low	66.4	Low	9 Å²	9	41.7 Å²	41.7	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	174.9	-167.2	-64	-177	-132.2	0	0	110.4	F90 Y91 M108 A189	F90-E115 HydrophobicContact CD1-CB 3.48Å; F90-E115 VanDerWaalsContact CD1-CB 3.48Å; F90-E115 HydrophobicContact CD1-CG 3.74Å; F90-E115 WeakPolarHBondContact CD1-OE2 3.45Å; F90-E115 HydrophobicContact CE1-CB 3.34Å; F90-E115 HydrophobicContact CE1-CG 3.8Å; F90-E115 WeakPolarHBondContact CE1-OE2 3.24Å; Y91-E115 WeakPolarHBondContact CB-OE1 3.33Å; Y91-E115 WeakPolarHBondContact CD2-OE1 3.35Å; Y91-E115 WeakPolarHBondContact CD2-OE2 3.48Å; Y91-E115 VanDerWaalsContact CE2-OE2 3.29Å; Y91-E115 WeakPolarHBondContact CE2-OE2 3.21Å; M108-E115 HydrophobicContact CE-CB 4.21Å; M108-E115 PolarHBondContact N-O 2.94Å; M108-E115 PolarHBondContact O-N 3.33Å; M108-E115 VanDerWaalsContact O-N 3.17Å; M108-E115 VanDerWaalsContact O-O 3.11Å; E115-A189 HydrophobicContact CG-CB 4.27Å; E115-A189 VanDerWaalsContact OE2-CA 3.3Å; E115-A189 WeakPolarHBondContact OE2-CA 3.49Å; E115-A189 WeakPolarHBondContact OE2-CB 3.45Å
116	G	59.3	Low	66.2	Low	6 Å²	6	42.1 Å²	42.1	6%	0.062	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	129.3	-179.8	0	0	0	0	0	112.8	I106 S188	I106-G116 CarbonylContact O-C 3.53Å; I106-G116 WeakPolarHBondContact O-CA 3.22Å; G116-S188 PolarHBondContact N-O 3.07Å; G116-S188 PolarHBondContact O-N 3.09Å; G116-S188 PolarHBondContact O-OG 3.38Å
117	I	62.7	Low	66	Low	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.9	162.9	-53.6	168.8	0	0	0	105.8	I106 M108 I161 I167 F169 F187	I106-I117 CarbonylContact C-O 3.24Å; I106-I117 WeakPolarHBondContact CA-O 3.39Å; I106-I117 HydrophobicContact CB-CB 4.19Å; I106-I117 PolarHBondContact N-O 3.2Å; I106-I117 CarbonylContact O-C 3.58Å; I106-I117 PolarHBondContact O-N 3.19Å; M108-I117 HydrophobicContact CE-CD1 4.11Å; M108-I117 HydrophobicContact CE-CG1 3.73Å; M108-I117 HydrophobicContact SD-CD1 4.2Å; M108-I117 HydrophobicContact SD-CG1 4.46Å; I117-I161 HydrophobicContact CD1-CD1 4.18Å; I117-I167 HydrophobicContact CD1-CD1 3.65Å; I117-I167 HydrophobicContact CD1-CG1 4.43Å; I117-I167 HydrophobicContact CD1-CG2 4.38Å; I117-I167 HydrophobicContact CG1-CD1 4.35Å; I117-F169 HydrophobicContact CG2-CE1 4.05Å; I117-F169 HydrophobicContact CG2-CZ 3.67Å; I117-F187 HydrophobicContact CB-CD1 4.14Å; I117-F187 HydrophobicContact CB-CE1 4.13Å; I117-F187 HydrophobicContact CD1-CE1 4.21Å; I117-F187 HydrophobicContact CG1-CD1 3.79Å; I117-F187 HydrophobicContact CG1-CE1 3.74Å; I117-F187 HydrophobicContact CG2-CD1 3.89Å; I117-F187 HydrophobicContact CG2-CE1 3.55Å; I117-F187 HydrophobicContact CG2-CZ 4.26Å
118	V	57.3	Low	66.4	Low	20 Å²	20	44.1 Å²	44.1	12%	0.121	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	105.2	179	-174.4	0	0	0	0	106.8	T105 F120 S185 L186	T105-V118 HydrophobicContact CG2-CG1 4.49Å; T105-V118 HydrophobicContact CG2-CG2 3.99Å; T105-V118 WeakPolarHBondContact OG1-CG1 3.38Å; V118-F120 HydrophobicContact CG1-CB 4.44Å; V118-F120 HydrophobicContact CG1-CD1 3.49Å; V118-F120 VanDerWaalsContact CG1-CD1 3.49Å; V118-F120 HydrophobicContact CG1-CE1 4.18Å; V118-F120 HydrophobicContact CG1-CG 4.35Å; V118-S185 WeakPolarHBondContact O-CA 3.42Å; V118-L186 CarbonylContact C-O 3.43Å; V118-L186 HydrophobicContact CB-CB 4.2Å; V118-L186 HydrophobicContact CB-CD2 4.41Å; V118-L186 HydrophobicContact CG2-CD2 4.46Å; V118-L186 PolarHBondContact N-O 3.13Å; V118-L186 CarbonylContact O-C 3.54Å; V118-L186 PolarHBondContact O-N 3.03Å
119	N	59.4	Low	66.7	Low	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	97.5	170.6	-158.8	-29.8	0	0	0	107.2	G104 Y144 F169 Y171 Y184 S185	G104-N119 CarbonylContact C-O 3.6Å; G104-N119 WeakPolarHBondContact CA-O 3.42Å; G104-N119 PolarHBondContact O-N 2.76Å; N119-Y144 PolarHBondContact O-OH 2.92Å; N119-F169 HydrophobicContact CB-CE1 4.26Å; N119-F169 WeakPolarHBondContact ND2-CD1 3.38Å; N119-F169 WeakPolarHBondContact ND2-CE1 3.01Å; N119-Y171 PolarHBondContact ND2-OH 2.97Å; N119-Y184 CarbonylContact C-O 3.58Å; N119-Y184 PolarHBondContact OD1-O 2.86Å; N119-S185 VanDerWaalsContact CG-OG 3.28Å; N119-S185 PolarHBondContact ND2-OG 2.84Å; N119-S185 VanDerWaalsContact ND2-OG 3.16Å; N119-S185 PolarHBondContact OD1-OG 3.36Å
120	F	58	Low	67.2	Low	39 Å²	39	43.2 Å²	43.2	17%	0.171	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141	-174.2	76.8	-82.8	0	0	0	110.5	S103 V118 K122 Y184 M250	S103-F120 WeakPolarHBondContact O-CA 3.42Å; S103-F120 VanDerWaalsContact O-CB 3.3Å; S103-F120 WeakPolarHBondContact O-CB 3.45Å; V118-F120 HydrophobicContact CG1-CB 4.44Å; V118-F120 HydrophobicContact CG1-CD1 3.49Å; V118-F120 VanDerWaalsContact CG1-CD1 3.49Å; V118-F120 HydrophobicContact CG1-CE1 4.18Å; V118-F120 HydrophobicContact CG1-CG 4.35Å; F120-K122 HydrophobicContact CD2-CB 4.4Å; F120-K122 HydrophobicContact CE2-CB 4.04Å; F120-K122 HydrophobicContact CE2-CG 4.47Å; F120-Y184 CarbonylContact C-O 3.6Å; F120-Y184 HydrophobicContact CD2-CD2 4.39Å; F120-Y184 HydrophobicContact CE1-CG 4.23Å; F120-Y184 AromaticContact CE2-CD2 3.76Å; F120-Y184 HydrophobicContact CE2-CD2 3.76Å; F120-Y184 HydrophobicContact CE2-CE2 4.46Å; F120-Y184 HydrophobicContact CE2-CG 4.11Å; F120-Y184 AromaticContact CZ-CD2 3.91Å; F120-Y184 HydrophobicContact CZ-CD2 3.91Å; F120-Y184 AromaticContact CZ-CG 3.78Å; F120-Y184 HydrophobicContact CZ-CG 3.78Å; F120-Y184 PolarHBondContact N-O 2.78Å; F120-Y184 CarbonylContact O-C 3.59Å; F120-Y184 WeakPolarHBondContact O-CA 3.36Å; F120-Y184 WeakPolarHBondContact O-CB 2.95Å; F120-Y184 PolarHBondContact O-N 2.89Å; F120-M250 HydrophobicContact CE2-SD 4.42Å; F120-M250 HydrophobicContact CZ-SD 3.68Å
121	L	58.1	Low	68	Low	9 Å²	9	42.5 Å²	42.5	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.9	165.9	-58.3	-176.5	0	0	0	107.3	E123 F124 Y144 F155 V183	L121-E123 PolarHBondContact O-N 2.99Å; L121-F124 HydrophobicContact CB-CB 4Å; L121-F124 HydrophobicContact CB-CD2 3.71Å; L121-F124 HydrophobicContact CB-CG 4.15Å; L121-F124 HydrophobicContact CD1-CB 4.18Å; L121-F124 HydrophobicContact CD1-CD2 3.99Å; L121-F124 HydrophobicContact CD1-CG 3.98Å; L121-F124 HydrophobicContact CG-CD2 4.45Å; L121-Y144 HydrophobicContact CB-CD1 4.01Å; L121-Y144 HydrophobicContact CB-CE1 3.91Å; L121-Y144 HydrophobicContact CD1-CD1 3.63Å; L121-Y144 HydrophobicContact CD1-CD2 3.44Å; L121-Y144 VanDerWaalsContact CD1-CD2 3.44Å; L121-Y144 HydrophobicContact CD1-CE1 4.01Å; L121-Y144 HydrophobicContact CD1-CE2 3.85Å; L121-Y144 HydrophobicContact CD1-CG 3.3Å; L121-Y144 HydrophobicContact CG-CD1 4.04Å; L121-Y144 HydrophobicContact CG-CD2 4.17Å; L121-Y144 HydrophobicContact CG-CE1 3.93Å; L121-Y144 HydrophobicContact CG-CE2 4.07Å; L121-Y144 HydrophobicContact CG-CG 4.14Å; L121-F155 HydrophobicContact CD1-CB 4.48Å; L121-F155 HydrophobicContact CD1-CD1 3.21Å; L121-F155 HydrophobicContact CD1-CE1 3.33Å; L121-F155 HydrophobicContact CD1-CG 4.01Å; L121-F155 HydrophobicContact CD1-CZ 4.28Å; L121-F155 HydrophobicContact CD2-CD1 4.45Å; L121-F155 HydrophobicContact CD2-CE1 3.73Å; L121-F155 HydrophobicContact CD2-CZ 4.11Å; L121-F155 HydrophobicContact CG-CD1 4.32Å; L121-F155 HydrophobicContact CG-CE1 3.99Å; L121-V183 VanDerWaalsContact CD2-CA 3.49Å; L121-V183 HydrophobicContact CD2-CB 3.68Å; L121-V183 HydrophobicContact CD2-CG1 3.58Å; L121-V183 HydrophobicContact CD2-CG2 3.56Å
122	K	58.5	Low	69.2	Low	125 Å²	125	34 Å²	34	54%	0.543	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.1	-171.8	-172.3	-179.5	172.1	-160.6	0	112.5	F120 D182 Y184	F120-K122 HydrophobicContact CD2-CB 4.4Å; F120-K122 HydrophobicContact CE2-CB 4.04Å; F120-K122 HydrophobicContact CE2-CG 4.47Å; K122-D182 PolarHBondContact N-O 3.42Å; K122-Y184 HydrophobicContact CB-CD2 4.03Å; K122-Y184 HydrophobicContact CB-CE2 3.65Å; K122-Y184 HydrophobicContact CD-CE2 4.13Å
123	E	60.1	Low	70.6	Confident	98 Å²	98	36.6 Å²	36.6	46%	0.458	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	18.9	-167.8	-56	-161	163.7	0	0	114.3	L121 K146	L121-E123 PolarHBondContact O-N 2.99Å; E123-K146 IonicContact OE2-NZ 2.77Å; E123-K146 PolarHBondContact OE2-NZ 3.17Å
124	F	64	Low	72.2	Confident	17 Å²	17	35.2 Å²	35.2	8%	0.075	19%	0.19	C	C	.	.			trans	-129.8	137.2	-174.9	-65.2	-106.8	0	0	0	111.1	L121 Y144 K146 F178 D182	L121-F124 HydrophobicContact CB-CB 4Å; L121-F124 HydrophobicContact CB-CD2 3.71Å; L121-F124 HydrophobicContact CB-CG 4.15Å; L121-F124 HydrophobicContact CD1-CB 4.18Å; L121-F124 HydrophobicContact CD1-CD2 3.99Å; L121-F124 HydrophobicContact CD1-CG 3.98Å; L121-F124 HydrophobicContact CG-CD2 4.45Å; F124-Y144 HydrophobicContact CB-CD1 3.64Å; F124-Y144 HydrophobicContact CB-CG 4.1Å; F124-K146 HydrophobicContact CD1-CB 3.33Å; F124-K146 HydrophobicContact CD1-CD 4.31Å; F124-K146 HydrophobicContact CD1-CG 4.43Å; F124-K146 HydrophobicContact CE1-CB 3.26Å; F124-K146 HydrophobicContact CE1-CD 3.79Å; F124-K146 HydrophobicContact CE1-CG 4.16Å; F124-K146 HydrophobicContact CE2-CD 4.04Å; F124-K146 HydrophobicContact CG-CB 4.14Å; F124-K146 HydrophobicContact CZ-CB 4.02Å; F124-K146 HydrophobicContact CZ-CD 3.6Å; F124-K146 HydrophobicContact CZ-CG 4.47Å; F124-F178 AromaticContact CE1-CE1 3.68Å; F124-F178 HydrophobicContact CE1-CE1 3.68Å; F124-F178 AromaticContact CE1-CZ 3.66Å; F124-F178 HydrophobicContact CE1-CZ 3.66Å; F124-F178 HydrophobicContact CE2-CD1 4.23Å; F124-F178 AromaticContact CE2-CE1 3.67Å; F124-F178 HydrophobicContact CE2-CE1 3.67Å; F124-F178 HydrophobicContact CE2-CZ 4.46Å; F124-F178 AromaticContact CZ-CD1 3.87Å; F124-F178 HydrophobicContact CZ-CD1 3.87Å; F124-F178 AromaticContact CZ-CE1 3.09Å; F124-F178 HydrophobicContact CZ-CE1 3.09Å; F124-F178 AromaticContact CZ-CZ 3.5Å; F124-F178 HydrophobicContact CZ-CZ 3.5Å; F124-F178 VanDerWaalsContact CZ-CZ 3.5Å; F124-D182 HydrophobicContact CE2-CB 4.3Å
125	D	69.8	Low	73.7	Confident	137 Å²	137	43 Å²	43	73%	0.733	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81	129.6	170	-66.3	-41.4	0	0	0	108.8	S127 Y144 H145	D125-S127 PolarHBondContact O-N 2.81Å; D125-Y144 WeakPolarHBondContact O-CA 3.49Å; D125-H145 PolarHBondContact N-O 2.81Å; D125-H145 PolarHBondContact O-N 3.02Å
126	V	73.6	Confident	74.9	Confident	21 Å²	21	50.4 Å²	50.4	13%	0.127	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.3	170.7	172	0	0	0	0	108.4	G102 L142 Y144	G102-V126 VanDerWaalsContact O-CB 3.24Å; G102-V126 WeakPolarHBondContact O-CB 3.43Å; G102-V126 WeakPolarHBondContact O-CG2 3.44Å; V126-L142 HydrophobicContact CG1-CD2 3.84Å; V126-L142 HydrophobicContact CG2-CD2 4.28Å; V126-Y144 HydrophobicContact CG2-CD1 3.49Å; V126-Y144 VanDerWaalsContact CG2-CD1 3.49Å; V126-Y144 HydrophobicContact CG2-CE1 3.15Å; V126-Y144 HydrophobicContact CG2-CE2 4.46Å; V126-Y144 HydrophobicContact CG2-CG 4.31Å
127	S	78.4	Confident	76.4	Confident	43 Å²	43	51.5 Å²	51.5	30%	0.301	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-34.6	175.9	68.2	0	0	0	0	112.7	D125 T143 H145	D125-S127 PolarHBondContact O-N 2.81Å; S127-T143 PolarHBondContact N-O 3.17Å; S127-T143 PolarHBondContact OG-O 3.11Å; S127-H145 WeakPolarHBondContact CB-CD2 3.05Å; S127-H145 PolarHBondContact OG-CD2 3.4Å; S127-H145 PolarHBondContact OG-NE2 3.05Å; S127-H145 VanDerWaalsContact OG-NE2 3.12Å
128	N	87.8	Confident	77.7	Confident	56 Å²	56	51.5 Å²	51.5	30%	0.299	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	138.3	-172.8	-66.1	-81.8	0	0	0	110.9	T143	N128-T143 PolarHBondContact N-O 3.22Å; N128-T143 PolarHBondContact O-N 3.31Å
129	L	89.2	Confident	79.3	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.1	165.8	176	58.6	0	0	0	109	V76 D77 V80 I100 I131 I140 L142	V76-L129 HydrophobicContact CG2-CB 4.09Å; V76-L129 HydrophobicContact CG2-CD2 3.78Å; V76-L129 HydrophobicContact CG2-CG 3.55Å; V76-L129 PolarHBondContact N-O 3.19Å; D77-L129 WeakPolarHBondContact O-CD2 3.21Å; V80-L129 HydrophobicContact CG1-CD2 3.61Å; I100-L129 HydrophobicContact CB-CD2 4.11Å; I100-L129 HydrophobicContact CG2-CD1 3.88Å; I100-L129 HydrophobicContact CG2-CD2 3.64Å; I100-L129 HydrophobicContact CG2-CG 4.47Å; L129-I131 HydrophobicContact CD1-CD1 4.47Å; L129-I131 HydrophobicContact CD1-CG1 4.22Å; L129-I131 HydrophobicContact CD2-CD1 4.3Å; L129-I131 HydrophobicContact CG-CD1 4.33Å; L129-I131 HydrophobicContact CG-CG1 4.24Å; L129-I140 HydrophobicContact CD1-CG2 3.72Å; L129-L142 HydrophobicContact CB-CD2 4.3Å; L129-L142 HydrophobicContact CD1-CD2 3.69Å; L129-L142 HydrophobicContact CD1-CG 4.03Å; L129-L142 HydrophobicContact CG-CD2 4.49Å
130	E	91.7	Very high	80.7	Confident	25 Å²	25	50.5 Å²	50.5	12%	0.117	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135	-178.5	-79	174.8	121.9	0	0	109.9	F73 E74 K75 R141	F73-E130 HydrophobicContact CB-CB 4.09Å; F73-E130 HydrophobicContact CD1-CB 4Å; F73-E130 HydrophobicContact CG-CB 4.36Å; E74-E130 CarbonylContact O-C 3.49Å; E74-E130 VanDerWaalsContact O-CA 3.28Å; E74-E130 WeakPolarHBondContact O-CA 3.34Å; K75-E130 HydrophobicContact CG-CG 3.71Å; E130-R141 HydrophobicContact CB-CB 4.11Å; E130-R141 PolarHBondContact N-O 2.69Å; E130-R141 PolarHBondContact O-N 2.78Å; E130-R141 IonicContact OE1-CZ 2.75Å; E130-R141 IonicContact OE1-NH2 3.64Å; E130-R141 PolarHBondContact OE1-NH2 2.71Å; E130-R141 IonicContact OE2-CZ 3.43Å; E130-R141 IonicContact OE2-NE 3.83Å; E130-R141 PolarHBondContact OE2-NE 2.91Å; E130-R141 IonicContact OE2-NH2 2.93Å; E130-R141 PolarHBondContact OE2-NH2 3.09Å
131	I	91.7	Very high	82.2	Confident	12 Å²	12	49.6 Å²	49.6	6%	0.062	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.6	-173.2	-56.8	-171	0	0	0	110.4	E74 V76 V80 V82 I100 L129 L138 A139	E74-I131 PolarHBondContact N-O 2.73Å; E74-I131 PolarHBondContact O-N 2.69Å; V76-I131 HydrophobicContact CG2-CD1 3.69Å; V76-I131 HydrophobicContact CG2-CG1 3.78Å; V80-I131 HydrophobicContact CG1-CD1 3.6Å; V82-I131 HydrophobicContact CG1-CG2 4.49Å; V82-I131 HydrophobicContact CG2-CD1 3.52Å; V82-I131 HydrophobicContact CG2-CG2 4.34Å; I100-I131 HydrophobicContact CD1-CD1 3.37Å; I100-I131 HydrophobicContact CD1-CG1 4.36Å; L129-I131 HydrophobicContact CD1-CD1 4.47Å; L129-I131 HydrophobicContact CD1-CG1 4.22Å; L129-I131 HydrophobicContact CD2-CD1 4.3Å; L129-I131 HydrophobicContact CG-CD1 4.33Å; L129-I131 HydrophobicContact CG-CG1 4.24Å; I131-L138 HydrophobicContact CG2-CD1 3.94Å; I131-A139 WeakPolarHBondContact CA-O 3.44Å
132	S	92.5	Very high	83.6	Confident	10 Å²	10	49.1 Å²	49.1	7%	0.07	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.8	168.9	-168.6	0	0	0	0	109.2	I72 G134 L138 A139	I72-S132 WeakPolarHBondContact CG2-OG 3.32Å; I72-S132 WeakPolarHBondContact O-CB 3.38Å; I72-S132 PolarHBondContact O-OG 3.02Å; S132-G134 PolarHBondContact O-N 2.77Å; S132-L138 WeakPolarHBondContact O-CA 3.05Å; S132-A139 PolarHBondContact N-O 2.75Å; S132-A139 PolarHBondContact O-N 2.82Å
133	N	92.2	Very high	84.9	Confident	66 Å²	66	43.6 Å²	43.6	35%	0.353	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	68.1	-175	-171.7	21.8	0	0	0	111.4	A83 P84 A85 L138	A83-N133 PolarHBondContact O-ND2 2.79Å; P84-N133 WeakPolarHBondContact CA-OD1 3.47Å; A85-N133 PolarHBondContact N-OD1 3.41Å; N133-L138 HydrophobicContact CB-CD1 4.06Å
134	G	90.3	Very high	85.9	Confident	29 Å²	29	39 Å²	39	30%	0.299	20%	0.203	S	C	.	.			trans	-81.6	164.3	-179.8	0	0	0	0	0	113.4	F86 S132 E136 L137	F86-G134 WeakPolarHBondContact CD1-O 3.31Å; F86-G134 WeakPolarHBondContact CE1-O 3.43Å; S132-G134 PolarHBondContact O-N 2.77Å; G134-E136 PolarHBondContact O-N 2.81Å; G134-L137 CarbonylContact C-O 3.47Å; G134-L137 WeakPolarHBondContact CA-O 3.16Å; G134-L137 PolarHBondContact N-O 2.77Å; G134-L137 VanDerWaalsContact N-O 3.07Å
135	K	89.7	Confident	86.7	Confident	180 Å²	180	41.6 Å²	41.6	78%	0.783	22%	0.216	S	C	*	.	S	Bend	trans	-68.1	-24.5	174.9	-67	-178.7	179.6	177.3	0	113.3
136	E	89	Confident	87	Confident	164 Å²	164	37.1 Å²	37.1	77%	0.766	19%	0.19	S	C	*	.	S	Bend	trans	-92	-29	-176	-61.7	-173.1	169.4	0	0	113.2	G134 P163	G134-E136 PolarHBondContact O-N 2.81Å; E136-P163 WeakPolarHBondContact O-CD 3.41Å
137	L	90.1	Very high	87.2	Confident	29 Å²	29	44.4 Å²	44.4	15%	0.152	22%	0.222	C	C	.	.			trans	-163.6	156.1	178.1	62.8	85.4	0	0	0	110.5	V68 F86 G134 A139 L160 I161 Y162	V68-L137 HydrophobicContact CG2-CD1 4.18Å; V68-L137 HydrophobicContact CG2-CD2 4.26Å; F86-L137 VanDerWaalsContact CE1-C 3.46Å; G134-L137 CarbonylContact C-O 3.47Å; G134-L137 WeakPolarHBondContact CA-O 3.16Å; G134-L137 PolarHBondContact N-O 2.77Å; G134-L137 VanDerWaalsContact N-O 3.07Å; L137-A139 HydrophobicContact CD1-CB 3.73Å; L137-L160 HydrophobicContact CD1-CD2 4.21Å; L137-I161 CarbonylContact C-O 3.51Å; L137-I161 VanDerWaalsContact CA-O 3.32Å; L137-I161 WeakPolarHBondContact CA-O 2.84Å; L137-Y162 HydrophobicContact CB-CD1 3.99Å; L137-Y162 HydrophobicContact CB-CE1 4.09Å; L137-Y162 HydrophobicContact CD2-CE1 3.86Å
138	L	90.5	Very high	87	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.5	165.1	170.5	62.5	0	0	0	107.4	V82 P84 F86 L98 I131 S132 N133 I140 L160 I161	V82-L138 HydrophobicContact CG1-CD1 4.09Å; P84-L138 HydrophobicContact CG-CD2 4.29Å; F86-L138 HydrophobicContact CE1-CB 4.05Å; F86-L138 HydrophobicContact CZ-CB 3.82Å; L98-L138 HydrophobicContact CD1-CD2 4.13Å; L98-L138 HydrophobicContact CD2-CD2 3.94Å; I131-L138 HydrophobicContact CG2-CD1 3.94Å; S132-L138 WeakPolarHBondContact O-CA 3.05Å; N133-L138 HydrophobicContact CB-CD1 4.06Å; L138-I140 HydrophobicContact CD1-CG1 4.41Å; L138-I140 HydrophobicContact CD2-CD1 4.23Å; L138-I140 HydrophobicContact CG-CD1 4.31Å; L138-I140 HydrophobicContact CG-CG1 4.24Å; L138-L160 CarbonylContact O-C 3.59Å; L138-L160 WeakPolarHBondContact O-CA 3Å; L138-I161 HydrophobicContact CB-CB 4.39Å; L138-I161 HydrophobicContact CD2-CD1 4.32Å; L138-I161 PolarHBondContact N-O 3.41Å; L138-I161 PolarHBondContact O-N 3.4Å
139	A	91.2	Very high	86.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.3	173.5	0	0	0	0	0	110.3	V68 F73 I131 S132 L137 S159 L160	V68-A139 HydrophobicContact CG2-CB 4.45Å; F73-A139 HydrophobicContact CE1-CB 3.52Å; F73-A139 HydrophobicContact CZ-CB 3.56Å; I131-A139 WeakPolarHBondContact CA-O 3.44Å; S132-A139 PolarHBondContact N-O 2.75Å; S132-A139 PolarHBondContact O-N 2.82Å; L137-A139 HydrophobicContact CD1-CB 3.73Å; A139-S159 CarbonylContact C-O 3.59Å; A139-S159 WeakPolarHBondContact CA-O 3.3Å; A139-L160 HydrophobicContact CB-CD2 3.42Å; A139-L160 VanDerWaalsContact CB-CD2 3.42Å
140	I	89.3	Confident	85.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114	177.8	-61.9	162.6	0	0	0	106.2	I100 I106 L129 L138 T158 S159 I161	I100-I140 HydrophobicContact CD1-CD1 3.6Å; I100-I140 HydrophobicContact CD1-CG1 3.78Å; I100-I140 HydrophobicContact CD1-CG2 4.04Å; I100-I140 HydrophobicContact CG1-CD1 4Å; I100-I140 HydrophobicContact CG2-CG2 4.13Å; I106-I140 HydrophobicContact CD1-CD1 3.72Å; I106-I140 HydrophobicContact CD1-CG2 4.34Å; I106-I140 HydrophobicContact CG1-CD1 4.25Å; I106-I140 HydrophobicContact CG2-CD1 4.25Å; L129-I140 HydrophobicContact CD1-CG2 3.72Å; L138-I140 HydrophobicContact CD1-CG1 4.41Å; L138-I140 HydrophobicContact CD2-CD1 4.23Å; L138-I140 HydrophobicContact CG-CD1 4.31Å; L138-I140 HydrophobicContact CG-CG1 4.24Å; I140-T158 CarbonylContact O-C 3.58Å; I140-T158 WeakPolarHBondContact O-CA 2.93Å; I140-S159 PolarHBondContact N-O 3.22Å; I140-S159 PolarHBondContact O-N 3.02Å; I140-I161 HydrophobicContact CD1-CD1 4.48Å
141	R	89	Confident	85.1	Confident	19 Å²	19	59 Å²	59	7%	0.072	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.7	179.1	-178.4	168.9	67.8	-161	3.6	109.9	N70 F73 E130 V157 T158	N70-R141 PolarHBondContact OD1-NH1 2.88Å; F73-R141 HydrophobicContact CD1-CB 4.22Å; F73-R141 HydrophobicContact CE1-CB 3.84Å; F73-R141 HydrophobicContact CZ-CB 4.31Å; E130-R141 HydrophobicContact CB-CB 4.11Å; E130-R141 PolarHBondContact N-O 2.69Å; E130-R141 PolarHBondContact O-N 2.78Å; E130-R141 IonicContact OE1-CZ 2.75Å; E130-R141 IonicContact OE1-NH2 3.64Å; E130-R141 PolarHBondContact OE1-NH2 2.71Å; E130-R141 IonicContact OE2-CZ 3.43Å; E130-R141 IonicContact OE2-NE 3.83Å; E130-R141 PolarHBondContact OE2-NE 2.91Å; E130-R141 IonicContact OE2-NH2 2.93Å; E130-R141 PolarHBondContact OE2-NH2 3.09Å; R141-V157 CarbonylContact C-O 3.49Å; R141-V157 WeakPolarHBondContact CA-O 3.38Å; R141-T158 HydrophobicContact CB-CG2 4.43Å
142	L	87.3	Confident	84.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.6	175.1	-72.5	154	0	0	0	108.2	V126 L129 Y144 K156 V157	V126-L142 HydrophobicContact CG1-CD2 3.84Å; V126-L142 HydrophobicContact CG2-CD2 4.28Å; L129-L142 HydrophobicContact CB-CD2 4.3Å; L129-L142 HydrophobicContact CD1-CD2 3.69Å; L129-L142 HydrophobicContact CD1-CG 4.03Å; L129-L142 HydrophobicContact CG-CD2 4.49Å; L142-Y144 HydrophobicContact CB-CD2 4.24Å; L142-Y144 HydrophobicContact CB-CE2 3.58Å; L142-K156 WeakPolarHBondContact O-CA 3.4Å; L142-V157 PolarHBondContact N-O 3.35Å; L142-V157 PolarHBondContact O-N 3.28Å
143	T	86.2	Confident	83.7	Confident	9 Å²	9	63.7 Å²	63.7	6%	0.055	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.2	170.6	-54.5	0	0	0	0	108.6	S127 N128 T154 K156	S127-T143 PolarHBondContact N-O 3.17Å; S127-T143 PolarHBondContact OG-O 3.11Å; N128-T143 PolarHBondContact N-O 3.22Å; N128-T143 PolarHBondContact O-N 3.31Å; T143-T154 HydrophobicContact CG2-CG2 3.52Å; T143-K156 HydrophobicContact CG2-CG 4.05Å
144	Y	81.2	Confident	83.1	Confident	1 Å²	1	62.3 Å²	62.3	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139	179.4	-69.1	-90.2	0	0	0	108.8	S103 G104 N119 L121 F124 D125 V126 L142 T154 F155 V157	S103-Y144 PolarHBondContact O-OH 3.48Å; G104-Y144 WeakPolarHBondContact CA-OH 3.41Å; N119-Y144 PolarHBondContact O-OH 2.92Å; L121-Y144 HydrophobicContact CB-CD1 4.01Å; L121-Y144 HydrophobicContact CB-CE1 3.91Å; L121-Y144 HydrophobicContact CD1-CD1 3.63Å; L121-Y144 HydrophobicContact CD1-CD2 3.44Å; L121-Y144 VanDerWaalsContact CD1-CD2 3.44Å; L121-Y144 HydrophobicContact CD1-CE1 4.01Å; L121-Y144 HydrophobicContact CD1-CE2 3.85Å; L121-Y144 HydrophobicContact CD1-CG 3.3Å; L121-Y144 HydrophobicContact CG-CD1 4.04Å; L121-Y144 HydrophobicContact CG-CD2 4.17Å; L121-Y144 HydrophobicContact CG-CE1 3.93Å; L121-Y144 HydrophobicContact CG-CE2 4.07Å; L121-Y144 HydrophobicContact CG-CG 4.14Å; F124-Y144 HydrophobicContact CB-CD1 3.64Å; F124-Y144 HydrophobicContact CB-CG 4.1Å; D125-Y144 WeakPolarHBondContact O-CA 3.49Å; V126-Y144 HydrophobicContact CG2-CD1 3.49Å; V126-Y144 VanDerWaalsContact CG2-CD1 3.49Å; V126-Y144 HydrophobicContact CG2-CE1 3.15Å; V126-Y144 HydrophobicContact CG2-CE2 4.46Å; V126-Y144 HydrophobicContact CG2-CG 4.31Å; L142-Y144 HydrophobicContact CB-CD2 4.24Å; L142-Y144 HydrophobicContact CB-CE2 3.58Å; Y144-T154 WeakPolarHBondContact O-CA 3.29Å; Y144-F155 HydrophobicContact CD2-CD1 4.01Å; Y144-F155 PolarHBondContact N-O 3.18Å; Y144-F155 PolarHBondContact O-N 3.48Å; Y144-V157 HydrophobicContact CD2-CG2 4.24Å; Y144-V157 HydrophobicContact CE2-CB 4.32Å; Y144-V157 HydrophobicContact CE2-CG2 3.77Å
145	H	80.6	Confident	82.6	Confident	71 Å²	71	60.9 Å²	60.9	33%	0.329	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.4	169.1	-69	-96.9	0	0	0	110.6	D125 S127 F153 T154	D125-H145 PolarHBondContact N-O 2.81Å; D125-H145 PolarHBondContact O-N 3.02Å; S127-H145 WeakPolarHBondContact CB-CD2 3.05Å; S127-H145 PolarHBondContact OG-CD2 3.4Å; S127-H145 PolarHBondContact OG-NE2 3.05Å; S127-H145 VanDerWaalsContact OG-NE2 3.12Å; H145-F153 VanDerWaalsContact CA-O 3.31Å; H145-F153 WeakPolarHBondContact CA-O 3.29Å; H145-T154 PolarHBondContact CE1-OG1 3.09Å; H145-T154 PolarHBondContact ND1-OG1 3.01Å
146	K	76.3	Confident	82.3	Confident	43 Å²	43	55 Å²	55	19%	0.187	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134	168	178	174	178	177.8	0	107.8	E123 F124 F153	E123-K146 IonicContact OE2-NZ 2.77Å; E123-K146 PolarHBondContact OE2-NZ 3.17Å; F124-K146 HydrophobicContact CD1-CB 3.33Å; F124-K146 HydrophobicContact CD1-CD 4.31Å; F124-K146 HydrophobicContact CD1-CG 4.43Å; F124-K146 HydrophobicContact CE1-CB 3.26Å; F124-K146 HydrophobicContact CE1-CD 3.79Å; F124-K146 HydrophobicContact CE1-CG 4.16Å; F124-K146 HydrophobicContact CE2-CD 4.04Å; F124-K146 HydrophobicContact CG-CB 4.14Å; F124-K146 HydrophobicContact CZ-CB 4.02Å; F124-K146 HydrophobicContact CZ-CD 3.6Å; F124-K146 HydrophobicContact CZ-CG 4.47Å; K146-F153 PolarHBondContact N-O 2.77Å; K146-F153 PolarHBondContact O-N 2.85Å
147	Q	77.8	Confident	82	Confident	174 Å²	174	47.2 Å²	47.2	81%	0.813	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.5	164.3	-70.4	-174.2	6.3	0	0	107.5	E151	Q147-E151 WeakPolarHBondContact CA-O 3.4Å
148	D	73.1	Confident	81.8	Confident	70 Å²	70	46.1 Å²	46.1	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126.1	173.9	-170	11.5	0	0	0	108.9	G150 E151 F153	D148-G150 PolarHBondContact O-N 2.77Å; D148-E151 PolarHBondContact N-O 2.85Å; D148-E151 PolarHBondContact O-N 2.77Å; D148-F153 HydrophobicContact CB-CD2 4.28Å; D148-F153 HydrophobicContact CB-CE2 3.92Å
149	N	75	Confident	81.5	Confident	160 Å²	160	46.1 Å²	46.1	86%	0.856	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	32.4	-178.3	-61.7	-42.9	0	0	0	116.1	E151	N149-E151 VanDerWaalsContact C-N 3.32Å
150	G	77.2	Confident	81.3	Confident	81 Å²	81	46.1 Å²	46.1	84%	0.835	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-5.4	-179.8	0	0	0	0	0	114.8	D148	D148-G150 PolarHBondContact O-N 2.77Å
151	E	76.7	Confident	81.2	Confident	122 Å²	122	46.3 Å²	46.3	57%	0.57	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	140.1	170.6	-66.9	-174.4	174.8	0	0	110.3	Q147 D148 N149 F153	Q147-E151 WeakPolarHBondContact CA-O 3.4Å; D148-E151 PolarHBondContact N-O 2.85Å; D148-E151 PolarHBondContact O-N 2.77Å; N149-E151 VanDerWaalsContact C-N 3.32Å; E151-F153 HydrophobicContact CB-CE2 3.65Å; E151-F153 HydrophobicContact CB-CZ 3.71Å; E151-F153 WeakPolarHBondContact OE2-CZ 3.39Å
152	S	78.2	Confident	81.1	Confident	91 Å²	91	47.3 Å²	47.3	64%	0.636	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	117	176.8	60.2	0	0	0	0	110.2
153	F	77.1	Confident	80.9	Confident	28 Å²	28	50 Å²	50	12%	0.123	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.6	176.9	-58.8	-83.9	0	0	0	108.7	H145 K146 D148 E151 A175 E177	H145-F153 VanDerWaalsContact CA-O 3.31Å; H145-F153 WeakPolarHBondContact CA-O 3.29Å; K146-F153 PolarHBondContact N-O 2.77Å; K146-F153 PolarHBondContact O-N 2.85Å; D148-F153 HydrophobicContact CB-CD2 4.28Å; D148-F153 HydrophobicContact CB-CE2 3.92Å; E151-F153 HydrophobicContact CB-CE2 3.65Å; E151-F153 HydrophobicContact CB-CZ 3.71Å; E151-F153 WeakPolarHBondContact OE2-CZ 3.39Å; F153-A175 HydrophobicContact CD1-CB 3.8Å; F153-A175 HydrophobicContact CE1-CB 4.27Å; F153-E177 HydrophobicContact CE1-CB 4.41Å; F153-E177 HydrophobicContact CE1-CG 4.06Å; F153-E177 HydrophobicContact CZ-CG 4.25Å
154	T	79.9	Confident	80.6	Confident	37 Å²	37	55.8 Å²	55.8	23%	0.227	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.6	171.9	-52.7	0	0	0	0	108	T143 Y144 H145 E173	T143-T154 HydrophobicContact CG2-CG2 3.52Å; Y144-T154 WeakPolarHBondContact O-CA 3.29Å; H145-T154 PolarHBondContact CE1-OG1 3.09Å; H145-T154 PolarHBondContact ND1-OG1 3.01Å; T154-E173 WeakPolarHBondContact CG2-OE2 3.48Å; T154-E173 WeakPolarHBondContact O-CB 3.45Å; T154-E173 VanDerWaalsContact O-O 3.06Å
155	F	78.2	Confident	80.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	135	176.8	176.1	-86.2	0	0	0	109.2	L121 Y144 V157 Y171 V174 F178 V183	L121-F155 HydrophobicContact CD1-CB 4.48Å; L121-F155 HydrophobicContact CD1-CD1 3.21Å; L121-F155 HydrophobicContact CD1-CE1 3.33Å; L121-F155 HydrophobicContact CD1-CG 4.01Å; L121-F155 HydrophobicContact CD1-CZ 4.28Å; L121-F155 HydrophobicContact CD2-CD1 4.45Å; L121-F155 HydrophobicContact CD2-CE1 3.73Å; L121-F155 HydrophobicContact CD2-CZ 4.11Å; L121-F155 HydrophobicContact CG-CD1 4.32Å; L121-F155 HydrophobicContact CG-CE1 3.99Å; Y144-F155 HydrophobicContact CD2-CD1 4.01Å; Y144-F155 PolarHBondContact N-O 3.18Å; Y144-F155 PolarHBondContact O-N 3.48Å; F155-V157 HydrophobicContact CD1-CG2 3.8Å; F155-V157 HydrophobicContact CE1-CG2 3.18Å; F155-V157 HydrophobicContact CZ-CG2 4.12Å; F155-Y171 AromaticContact CE1-CD1 3.93Å; F155-Y171 HydrophobicContact CE1-CD1 3.93Å; F155-Y171 HydrophobicContact CE2-CD1 4.33Å; F155-Y171 AromaticContact CZ-CD1 3.42Å; F155-Y171 HydrophobicContact CZ-CD1 3.42Å; F155-Y171 VanDerWaalsContact CZ-CD1 3.42Å; F155-Y171 HydrophobicContact CZ-CE1 4.18Å; F155-Y171 HydrophobicContact CZ-CG 4.29Å; F155-V174 HydrophobicContact CD2-CB 4.08Å; F155-V174 HydrophobicContact CD2-CG1 4.02Å; F155-V174 HydrophobicContact CD2-CG2 3.79Å; F155-V174 HydrophobicContact CE2-CB 3.91Å; F155-V174 HydrophobicContact CE2-CG1 3.68Å; F155-V174 HydrophobicContact CE2-CG2 3.34Å; F155-V174 HydrophobicContact CZ-CG2 4.36Å; F155-F178 HydrophobicContact CB-CE1 4.18Å; F155-F178 HydrophobicContact CB-CZ 3.69Å; F155-F178 HydrophobicContact CD2-CD1 4.36Å; F155-F178 AromaticContact CD2-CE1 3.61Å; F155-F178 HydrophobicContact CD2-CE1 3.61Å; F155-F178 HydrophobicContact CD2-CE2 4.21Å; F155-F178 AromaticContact CD2-CZ 3.55Å; F155-F178 HydrophobicContact CD2-CZ 3.55Å; F155-F178 HydrophobicContact CE2-CD1 4.46Å; F155-F178 HydrophobicContact CE2-CE1 4.08Å; F155-F178 HydrophobicContact CE2-CZ 4.4Å; F155-F178 HydrophobicContact CG-CE1 4.03Å; F155-F178 AromaticContact CG-CZ 3.93Å; F155-F178 HydrophobicContact CG-CZ 3.93Å; F155-V183 HydrophobicContact CE2-CG2 4.12Å; F155-V183 HydrophobicContact CZ-CG1 4.12Å; F155-V183 HydrophobicContact CZ-CG2 3.85Å
156	K	84.1	Confident	80.4	Confident	56 Å²	56	55.5 Å²	55.5	24%	0.243	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.4	-177.2	-66.8	170	-174.5	158.5	0	110.1	L142 T143 Y171 D172 E173	L142-K156 WeakPolarHBondContact O-CA 3.4Å; T143-K156 HydrophobicContact CG2-CG 4.05Å; K156-Y171 WeakPolarHBondContact O-CA 3.38Å; K156-D172 HydrophobicContact CB-CB 4.18Å; K156-D172 PolarHBondContact N-O 2.87Å; K156-D172 VanDerWaalsContact N-O 3.09Å; K156-D172 PolarHBondContact O-N 3.31Å; K156-E173 WeakPolarHBondContact CE-OE2 3.16Å; K156-E173 IonicContact NZ-OE1 2.88Å; K156-E173 PolarHBondContact NZ-OE1 2.83Å; K156-E173 IonicContact NZ-OE2 2.69Å; K156-E173 PolarHBondContact NZ-OE2 3.2Å
157	V	82.2	Confident	80.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.2	169.4	-172.4	0	0	0	0	108.3	R141 L142 Y144 F155 Y170 Y171	R141-V157 CarbonylContact C-O 3.49Å; R141-V157 WeakPolarHBondContact CA-O 3.38Å; L142-V157 PolarHBondContact N-O 3.35Å; L142-V157 PolarHBondContact O-N 3.28Å; Y144-V157 HydrophobicContact CD2-CG2 4.24Å; Y144-V157 HydrophobicContact CE2-CB 4.32Å; Y144-V157 HydrophobicContact CE2-CG2 3.77Å; F155-V157 HydrophobicContact CD1-CG2 3.8Å; F155-V157 HydrophobicContact CE1-CG2 3.18Å; F155-V157 HydrophobicContact CZ-CG2 4.12Å; V157-Y170 CarbonylContact C-O 3.56Å; V157-Y170 WeakPolarHBondContact CA-O 3.31Å; V157-Y171 HydrophobicContact CG1-CD1 4.28Å; V157-Y171 HydrophobicContact CG1-CE1 3.89Å; V157-Y171 HydrophobicContact CG2-CD1 3.89Å; V157-Y171 HydrophobicContact CG2-CE1 3.91Å
158	T	86.1	Confident	80.8	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110	169.9	-54.7	0	0	0	0	109.6	F73 I140 R141 L160 F169 Y170	F73-T158 HydrophobicContact CZ-CG2 4.18Å; I140-T158 CarbonylContact O-C 3.58Å; I140-T158 WeakPolarHBondContact O-CA 2.93Å; R141-T158 HydrophobicContact CB-CG2 4.43Å; T158-L160 HydrophobicContact CG2-CD2 3.67Å; T158-L160 HydrophobicContact CG2-CG 4.4Å; T158-F169 CarbonylContact O-C 3.54Å; T158-F169 WeakPolarHBondContact O-CA 3.46Å; T158-Y170 PolarHBondContact N-O 3.39Å; T158-Y170 PolarHBondContact O-N 3.09Å
159	S	85.6	Confident	81.2	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.3	172.5	-57	0	0	0	0	109.7	A139 I140 A168 F169	A139-S159 CarbonylContact C-O 3.59Å; A139-S159 WeakPolarHBondContact CA-O 3.3Å; I140-S159 PolarHBondContact N-O 3.22Å; I140-S159 PolarHBondContact O-N 3.02Å; S159-A168 CarbonylContact C-O 3.18Å; S159-A168 WeakPolarHBondContact CA-O 3.28Å; S159-F169 VanDerWaalsContact OG-CD1 3.29Å; S159-F169 WeakPolarHBondContact OG-CD1 3.46Å; S159-F169 WeakPolarHBondContact OG-CE1 3.48Å
160	L	87.1	Confident	81.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.9	176.5	-51.3	-177.7	0	0	0	109.8	P67 V68 L137 L138 A139 T158 Y162 I167 A168 Y170	P67-L160 HydrophobicContact CG-CD1 3.26Å; V68-L160 HydrophobicContact CG2-CD1 4.22Å; V68-L160 HydrophobicContact CG2-CD2 3.8Å; L137-L160 HydrophobicContact CD1-CD2 4.21Å; L138-L160 CarbonylContact O-C 3.59Å; L138-L160 WeakPolarHBondContact O-CA 3Å; A139-L160 HydrophobicContact CB-CD2 3.42Å; A139-L160 VanDerWaalsContact CB-CD2 3.42Å; T158-L160 HydrophobicContact CG2-CD2 3.67Å; T158-L160 HydrophobicContact CG2-CG 4.4Å; L160-Y162 HydrophobicContact CB-CE2 3.93Å; L160-I167 CarbonylContact O-C 3.55Å; L160-I167 WeakPolarHBondContact O-CA 3.44Å; L160-A168 HydrophobicContact CB-CB 4.31Å; L160-A168 PolarHBondContact N-O 3.46Å; L160-A168 PolarHBondContact O-N 3.02Å; L160-Y170 HydrophobicContact CD1-CD2 3.9Å; L160-Y170 HydrophobicContact CD1-CE2 3.43Å; L160-Y170 VanDerWaalsContact CD1-CE2 3.43Å; L160-Y170 HydrophobicContact CG-CD2 4.17Å; L160-Y170 HydrophobicContact CG-CE2 4.12Å
161	I	86.5	Confident	81.6	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.4	175.5	-54.5	171.1	0	0	0	108.1	F86 I88 L98 I117 L137 L138 I140 I167	F86-I161 VanDerWaalsContact CZ-O 3.31Å; F86-I161 WeakPolarHBondContact CZ-O 3.19Å; I88-I161 HydrophobicContact CD1-CG2 3.69Å; I88-I161 HydrophobicContact CG1-CG2 4.47Å; L98-I161 HydrophobicContact CD2-CD1 3.45Å; L98-I161 VanDerWaalsContact CD2-CD1 3.45Å; I117-I161 HydrophobicContact CD1-CD1 4.18Å; L137-I161 CarbonylContact C-O 3.51Å; L137-I161 VanDerWaalsContact CA-O 3.32Å; L137-I161 WeakPolarHBondContact CA-O 2.84Å; L138-I161 HydrophobicContact CB-CB 4.39Å; L138-I161 HydrophobicContact CD2-CD1 4.32Å; L138-I161 PolarHBondContact N-O 3.41Å; L138-I161 PolarHBondContact O-N 3.4Å; I140-I161 HydrophobicContact CD1-CD1 4.48Å; I161-I167 HydrophobicContact CG1-CG1 4.49Å; I161-I167 HydrophobicContact CG2-CG1 4.49Å
162	Y	86.1	Confident	81.8	Confident	41 Å²	41	26.3 Å²	26.3	16%	0.161	15%	0.145	C	C	.	.			trans	-104.4	153.3	-177.6	-64.9	-91	0	0	0	111.3	L137 L160 N164 G165 K166 A168	L137-Y162 HydrophobicContact CB-CD1 3.99Å; L137-Y162 HydrophobicContact CB-CE1 4.09Å; L137-Y162 HydrophobicContact CD2-CE1 3.86Å; L160-Y162 HydrophobicContact CB-CE2 3.93Å; Y162-N164 VanDerWaalsContact CB-OD1 3.28Å; Y162-N164 WeakPolarHBondContact CB-OD1 3.35Å; Y162-N164 PolarHBondContact O-N 2.94Å; Y162-N164 VanDerWaalsContact O-N 3.07Å; Y162-G165 PolarHBondContact O-N 2.84Å; Y162-K166 HydrophobicContact CD2-CB 3.89Å; Y162-K166 HydrophobicContact CD2-CD 3.88Å; Y162-K166 HydrophobicContact CD2-CG 3.92Å; Y162-K166 WeakPolarHBondContact CD2-O 3.18Å; Y162-K166 HydrophobicContact CE2-CD 3.99Å; Y162-K166 HydrophobicContact CE2-CG 4.35Å; Y162-K166 HydrophobicContact CG-CB 4.31Å; Y162-K166 PolarHBondContact N-O 3.32Å; Y162-A168 HydrophobicContact CE2-CB 4.3Å
163	P	84.6	Confident	81.6	Confident	57 Å²	57	26 Å²	26	37%	0.37	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.5	177.4	-24.7	30	0	0	0	114.6	F86 E136 G165	F86-P163 HydrophobicContact CB-CB 4.41Å; F86-P163 HydrophobicContact CB-CG 4.18Å; F86-P163 HydrophobicContact CD1-CG 4.22Å; F86-P163 HydrophobicContact CD2-CB 3.78Å; F86-P163 HydrophobicContact CD2-CG 3.63Å; F86-P163 HydrophobicContact CE2-CB 4.32Å; F86-P163 HydrophobicContact CE2-CG 3.97Å; F86-P163 HydrophobicContact CG-CB 4.22Å; F86-P163 HydrophobicContact CG-CG 3.75Å; F86-P163 HydrophobicContact CZ-CG 4.47Å; E136-P163 WeakPolarHBondContact O-CD 3.41Å; P163-G165 PolarHBondContact O-N 2.84Å
164	N	79.8	Confident	81.1	Confident	130 Å²	130	25 Å²	25	70%	0.695	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	7.4	178.2	66.8	5.9	0	0	0	114	Y162 K166	Y162-N164 VanDerWaalsContact CB-OD1 3.28Å; Y162-N164 WeakPolarHBondContact CB-OD1 3.35Å; Y162-N164 PolarHBondContact O-N 2.94Å; Y162-N164 VanDerWaalsContact O-N 3.07Å; N164-K166 VanDerWaalsContact C-N 3.28Å; N164-K166 PolarHBondContact O-N 3.18Å; N164-K166 WeakPolarHBondContact OD1-CB 3.46Å; N164-K166 PolarHBondContact OD1-N 3.05Å
165	G	75.3	Confident	80.4	Confident	10 Å²	10	24.4 Å²	24.4	10%	0.103	13%	0.128	C	C	.	.	S	Bend	trans	79	5	-178.8	0	0	0	0	0	114.4	Y162 P163 M212	Y162-G165 PolarHBondContact O-N 2.84Å; P163-G165 PolarHBondContact O-N 2.84Å; G165-M212 WeakPolarHBondContact O-CE 3.37Å
166	K	80.8	Confident	79.7	Confident	55 Å²	55	32 Å²	32	24%	0.239	16%	0.161	C	C	.	.			trans	-67	135.1	168.7	-179.4	-172.1	172.1	-164.4	0	108.9	Y162 N164 K213 T215	Y162-K166 HydrophobicContact CD2-CB 3.89Å; Y162-K166 HydrophobicContact CD2-CD 3.88Å; Y162-K166 HydrophobicContact CD2-CG 3.92Å; Y162-K166 WeakPolarHBondContact CD2-O 3.18Å; Y162-K166 HydrophobicContact CE2-CD 3.99Å; Y162-K166 HydrophobicContact CE2-CG 4.35Å; Y162-K166 HydrophobicContact CG-CB 4.31Å; Y162-K166 PolarHBondContact N-O 3.32Å; N164-K166 VanDerWaalsContact C-N 3.28Å; N164-K166 PolarHBondContact O-N 3.18Å; N164-K166 WeakPolarHBondContact OD1-CB 3.46Å; N164-K166 PolarHBondContact OD1-N 3.05Å; K166-K213 WeakPolarHBondContact CA-O 3.46Å; K166-T215 VanDerWaalsContact CE-OG1 3.31Å; K166-T215 WeakPolarHBondContact CE-OG1 3.32Å
167	I	80.4	Confident	78.6	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.1	171.2	-60.1	164.8	0	0	0	107.6	F90 I117 L160 I161 F169 F187 M212 F214 T215	F90-I167 HydrophobicContact CE2-CD1 3.99Å; I117-I167 HydrophobicContact CD1-CD1 3.65Å; I117-I167 HydrophobicContact CD1-CG1 4.43Å; I117-I167 HydrophobicContact CD1-CG2 4.38Å; I117-I167 HydrophobicContact CG1-CD1 4.35Å; L160-I167 CarbonylContact O-C 3.55Å; L160-I167 WeakPolarHBondContact O-CA 3.44Å; I161-I167 HydrophobicContact CG1-CG1 4.49Å; I161-I167 HydrophobicContact CG2-CG1 4.49Å; I167-F169 HydrophobicContact CG2-CE1 4.32Å; I167-F169 HydrophobicContact CG2-CE2 4.41Å; I167-F169 HydrophobicContact CG2-CZ 4.03Å; I167-F187 HydrophobicContact CD1-CE1 3.94Å; I167-F187 HydrophobicContact CG2-CE1 4.14Å; I167-F187 HydrophobicContact CG2-CZ 4.1Å; I167-M212 HydrophobicContact CD1-CE 3.68Å; I167-M212 HydrophobicContact CG1-CE 4.34Å; I167-F214 HydrophobicContact CB-CD1 4.25Å; I167-F214 HydrophobicContact CD1-CE1 4.1Å; I167-T215 PolarHBondContact O-N 3.37Å
168	A	82.5	Confident	77.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.5	174.7	0	0	0	0	0	112.2	S159 L160 Y162 Y170 T215	S159-A168 CarbonylContact C-O 3.18Å; S159-A168 WeakPolarHBondContact CA-O 3.28Å; L160-A168 HydrophobicContact CB-CB 4.31Å; L160-A168 PolarHBondContact N-O 3.46Å; L160-A168 PolarHBondContact O-N 3.02Å; Y162-A168 HydrophobicContact CE2-CB 4.3Å; A168-Y170 HydrophobicContact CB-CE2 3.91Å; A168-T215 WeakPolarHBondContact CA-O 3.43Å; A168-T215 WeakPolarHBondContact CB-O 3.42Å
169	F	81.8	Confident	76.4	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.3	171.6	-56.8	-68.2	0	0	0	108.4	I117 N119 T158 S159 I167 Y171 F187 T215 V216 I217	I117-F169 HydrophobicContact CG2-CE1 4.05Å; I117-F169 HydrophobicContact CG2-CZ 3.67Å; N119-F169 HydrophobicContact CB-CE1 4.26Å; N119-F169 WeakPolarHBondContact ND2-CD1 3.38Å; N119-F169 WeakPolarHBondContact ND2-CE1 3.01Å; T158-F169 CarbonylContact O-C 3.54Å; T158-F169 WeakPolarHBondContact O-CA 3.46Å; S159-F169 VanDerWaalsContact OG-CD1 3.29Å; S159-F169 WeakPolarHBondContact OG-CD1 3.46Å; S159-F169 WeakPolarHBondContact OG-CE1 3.48Å; I167-F169 HydrophobicContact CG2-CE1 4.32Å; I167-F169 HydrophobicContact CG2-CE2 4.41Å; I167-F169 HydrophobicContact CG2-CZ 4.03Å; F169-Y171 HydrophobicContact CB-CE2 3.73Å; F169-F187 HydrophobicContact CD2-CZ 4.49Å; F169-F187 HydrophobicContact CE2-CE1 4.25Å; F169-F187 AromaticContact CE2-CE2 3.58Å; F169-F187 HydrophobicContact CE2-CE2 3.58Å; F169-F187 AromaticContact CE2-CZ 3.23Å; F169-F187 HydrophobicContact CE2-CZ 3.23Å; F169-F187 AromaticContact CZ-CE1 3.93Å; F169-F187 HydrophobicContact CZ-CE1 3.93Å; F169-F187 HydrophobicContact CZ-CE2 4.01Å; F169-F187 AromaticContact CZ-CZ 3.34Å; F169-F187 HydrophobicContact CZ-CZ 3.34Å; F169-T215 PolarHBondContact N-O 3.49Å; F169-V216 HydrophobicContact CD2-CG2 4.47Å; F169-I217 CarbonylContact C-O 3.58Å; F169-I217 CarbonylContact O-C 3.52Å; F169-I217 WeakPolarHBondContact O-CA 3.31Å; F169-I217 PolarHBondContact O-N 3.43Å
170	Y	82.4	Confident	74.8	Confident	14 Å²	14	45.4 Å²	45.4	6%	0.055	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130	173.2	-69.5	-100.7	0	0	0	108	P67 V157 T158 L160 A168 I217	P67-Y170 WeakPolarHBondContact CD-OH 3.15Å; P67-Y170 HydrophobicContact CG-CE1 4.25Å; P67-Y170 HydrophobicContact CG-CE2 3.86Å; P67-Y170 WeakPolarHBondContact CG-OH 3.38Å; V157-Y170 CarbonylContact C-O 3.56Å; V157-Y170 WeakPolarHBondContact CA-O 3.31Å; T158-Y170 PolarHBondContact N-O 3.39Å; T158-Y170 PolarHBondContact O-N 3.09Å; L160-Y170 HydrophobicContact CD1-CD2 3.9Å; L160-Y170 HydrophobicContact CD1-CE2 3.43Å; L160-Y170 VanDerWaalsContact CD1-CE2 3.43Å; L160-Y170 HydrophobicContact CG-CD2 4.17Å; L160-Y170 HydrophobicContact CG-CE2 4.12Å; A168-Y170 HydrophobicContact CB-CE2 3.91Å; Y170-I217 VanDerWaalsContact CA-O 3.31Å; Y170-I217 WeakPolarHBondContact CA-O 3.47Å; Y170-I217 HydrophobicContact CD1-CB 3.85Å; Y170-I217 HydrophobicContact CD1-CG2 3.6Å; Y170-I217 HydrophobicContact CE1-CB 3.62Å; Y170-I217 HydrophobicContact CE1-CD1 3.73Å; Y170-I217 HydrophobicContact CE1-CG1 4.25Å; Y170-I217 HydrophobicContact CE1-CG2 3.35Å; Y170-I217 HydrophobicContact CE2-CB 4.43Å; Y170-I217 HydrophobicContact CE2-CD1 4.13Å; Y170-I217 HydrophobicContact CG-CB 4.38Å; Y170-I217 WeakPolarHBondContact OH-CD1 3.32Å
171	Y	79	Confident	73.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.9	178.1	-57	-84.8	0	0	0	108.5	N119 F155 K156 V157 F169 V183 S185 V216 I217 V218 Q219 L224	N119-Y171 PolarHBondContact ND2-OH 2.97Å; F155-Y171 AromaticContact CE1-CD1 3.93Å; F155-Y171 HydrophobicContact CE1-CD1 3.93Å; F155-Y171 HydrophobicContact CE2-CD1 4.33Å; F155-Y171 AromaticContact CZ-CD1 3.42Å; F155-Y171 HydrophobicContact CZ-CD1 3.42Å; F155-Y171 VanDerWaalsContact CZ-CD1 3.42Å; F155-Y171 HydrophobicContact CZ-CE1 4.18Å; F155-Y171 HydrophobicContact CZ-CG 4.29Å; K156-Y171 WeakPolarHBondContact O-CA 3.38Å; V157-Y171 HydrophobicContact CG1-CD1 4.28Å; V157-Y171 HydrophobicContact CG1-CE1 3.89Å; V157-Y171 HydrophobicContact CG2-CD1 3.89Å; V157-Y171 HydrophobicContact CG2-CE1 3.91Å; F169-Y171 HydrophobicContact CB-CE2 3.73Å; Y171-V183 HydrophobicContact CE1-CG1 4.16Å; Y171-S185 PolarHBondContact OH-OG 2.96Å; Y171-V216 HydrophobicContact CE2-CG1 4.03Å; Y171-I217 PolarHBondContact N-O 2.89Å; Y171-V218 HydrophobicContact CD2-CG2 4.2Å; Y171-Q219 WeakPolarHBondContact O-CB 3.08Å; Y171-Q219 WeakPolarHBondContact O-CG 2.99Å; Y171-Q219 PolarHBondContact O-N 3.44Å; Y171-Q219 VanDerWaalsContact O-N 3.12Å; Y171-L224 HydrophobicContact CD2-CD1 3.6Å; Y171-L224 HydrophobicContact CE2-CD1 3.35Å; Y171-L224 HydrophobicContact CG-CD1 4.48Å
172	D	79.3	Confident	72.3	Confident	17 Å²	17	48.5 Å²	48.5	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	152.7	-178.9	-45.1	-15.6	0	0	0	108.4	K156 V174 Q219	K156-D172 HydrophobicContact CB-CB 4.18Å; K156-D172 PolarHBondContact N-O 2.87Å; K156-D172 VanDerWaalsContact N-O 3.09Å; K156-D172 PolarHBondContact O-N 3.31Å; D172-V174 PolarHBondContact O-N 3.15Å; D172-Q219 VanDerWaalsContact CG-CD 3.49Å; D172-Q219 WeakPolarHBondContact OD1-CG 3.48Å; D172-Q219 PolarHBondContact OD1-OE1 3.03Å
173	E	73.9	Confident	71.2	Confident	85 Å²	85	46.6 Å²	46.6	40%	0.397	23%	0.232	S	C	.	.	S	Bend	trans	60.4	25.4	176.3	-60	169.7	-166.6	0	0	114	T154 K156 A175	T154-E173 WeakPolarHBondContact CG2-OE2 3.48Å; T154-E173 WeakPolarHBondContact O-CB 3.45Å; T154-E173 VanDerWaalsContact O-O 3.06Å; K156-E173 WeakPolarHBondContact CE-OE2 3.16Å; K156-E173 IonicContact NZ-OE1 2.88Å; K156-E173 PolarHBondContact NZ-OE1 2.83Å; K156-E173 IonicContact NZ-OE2 2.69Å; K156-E173 PolarHBondContact NZ-OE2 3.2Å; E173-A175 PolarHBondContact O-N 3.45Å
174	V	67.2	Low	70.1	Confident	5 Å²	5	45 Å²	45	3%	0.03	22%	0.219	C	C	.	.			trans	-66.3	104	172.4	-160.5	0	0	0	0	109.7	F155 D172 F178 N220 I222 M255	F155-V174 HydrophobicContact CD2-CB 4.08Å; F155-V174 HydrophobicContact CD2-CG1 4.02Å; F155-V174 HydrophobicContact CD2-CG2 3.79Å; F155-V174 HydrophobicContact CE2-CB 3.91Å; F155-V174 HydrophobicContact CE2-CG1 3.68Å; F155-V174 HydrophobicContact CE2-CG2 3.34Å; F155-V174 HydrophobicContact CZ-CG2 4.36Å; D172-V174 PolarHBondContact O-N 3.15Å; V174-F178 HydrophobicContact CG1-CB 4.13Å; V174-F178 HydrophobicContact CG1-CD1 4.31Å; V174-F178 HydrophobicContact CG1-CD2 3.78Å; V174-F178 HydrophobicContact CG1-CE2 4.26Å; V174-F178 HydrophobicContact CG1-CG 3.79Å; V174-N220 HydrophobicContact CB-CB 4.25Å; V174-N220 HydrophobicContact CG2-CB 4.49Å; V174-N220 PolarHBondContact N-ND2 3.22Å; V174-N220 VanDerWaalsContact N-ND2 3.12Å; V174-N220 PolarHBondContact O-ND2 3.24Å; V174-I222 HydrophobicContact CB-CD1 3.97Å; V174-I222 HydrophobicContact CG1-CD1 3.36Å; V174-M255 HydrophobicContact CG1-CE 3.67Å
175	A	64.8	Low	69.2	Low	25 Å²	25	38.9 Å²	38.9	21%	0.207	19%	0.186	C	C	.	.			trans	-66.7	163.4	176.4	0	0	0	0	0	110.6	F153 E173 E177 F178 I222	F153-A175 HydrophobicContact CD1-CB 3.8Å; F153-A175 HydrophobicContact CE1-CB 4.27Å; E173-A175 PolarHBondContact O-N 3.45Å; A175-E177 WeakPolarHBondContact CB-OE2 3.37Å; A175-E177 PolarHBondContact O-N 3.23Å; A175-F178 HydrophobicContact CB-CD2 3.8Å; A175-F178 HydrophobicContact CB-CE2 3.6Å; A175-F178 VanDerWaalsContact N-CD2 3.34Å; A175-F178 WeakPolarHBondContact O-CD2 3.3Å; A175-I222 WeakPolarHBondContact O-CD1 3.4Å
176	K	63.3	Low	68.6	Low	159 Å²	159	39.3 Å²	39.3	69%	0.691	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-18	-177	-72	-176.3	178.5	-178.6	0	112.6	F178	K176-F178 PolarHBondContact O-N 3.45Å
177	E	61.5	Low	67.7	Low	112 Å²	112	36.9 Å²	36.9	52%	0.523	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.2	-174.6	-61.1	69.6	-147.9	0	0	112.2	F153 A175 Q179	F153-E177 HydrophobicContact CE1-CB 4.41Å; F153-E177 HydrophobicContact CE1-CG 4.06Å; F153-E177 HydrophobicContact CZ-CG 4.25Å; A175-E177 WeakPolarHBondContact CB-OE2 3.37Å; A175-E177 PolarHBondContact O-N 3.23Å; E177-Q179 PolarHBondContact O-N 2.9Å; E177-Q179 VanDerWaalsContact O-N 3.14Å
178	F	62.2	Low	66.6	Low	17 Å²	17	38 Å²	38	8%	0.075	18%	0.183	C	C	.	.			trans	-61.3	116.9	177.4	-76.8	-99.5	0	0	0	110.3	F124 F155 V174 A175 K176 D182 V183 M255	F124-F178 AromaticContact CE1-CE1 3.68Å; F124-F178 HydrophobicContact CE1-CE1 3.68Å; F124-F178 AromaticContact CE1-CZ 3.66Å; F124-F178 HydrophobicContact CE1-CZ 3.66Å; F124-F178 HydrophobicContact CE2-CD1 4.23Å; F124-F178 AromaticContact CE2-CE1 3.67Å; F124-F178 HydrophobicContact CE2-CE1 3.67Å; F124-F178 HydrophobicContact CE2-CZ 4.46Å; F124-F178 AromaticContact CZ-CD1 3.87Å; F124-F178 HydrophobicContact CZ-CD1 3.87Å; F124-F178 AromaticContact CZ-CE1 3.09Å; F124-F178 HydrophobicContact CZ-CE1 3.09Å; F124-F178 AromaticContact CZ-CZ 3.5Å; F124-F178 HydrophobicContact CZ-CZ 3.5Å; F124-F178 VanDerWaalsContact CZ-CZ 3.5Å; F155-F178 HydrophobicContact CB-CE1 4.18Å; F155-F178 HydrophobicContact CB-CZ 3.69Å; F155-F178 HydrophobicContact CD2-CD1 4.36Å; F155-F178 AromaticContact CD2-CE1 3.61Å; F155-F178 HydrophobicContact CD2-CE1 3.61Å; F155-F178 HydrophobicContact CD2-CE2 4.21Å; F155-F178 AromaticContact CD2-CZ 3.55Å; F155-F178 HydrophobicContact CD2-CZ 3.55Å; F155-F178 HydrophobicContact CE2-CD1 4.46Å; F155-F178 HydrophobicContact CE2-CE1 4.08Å; F155-F178 HydrophobicContact CE2-CZ 4.4Å; F155-F178 HydrophobicContact CG-CE1 4.03Å; F155-F178 AromaticContact CG-CZ 3.93Å; F155-F178 HydrophobicContact CG-CZ 3.93Å; V174-F178 HydrophobicContact CG1-CB 4.13Å; V174-F178 HydrophobicContact CG1-CD1 4.31Å; V174-F178 HydrophobicContact CG1-CD2 3.78Å; V174-F178 HydrophobicContact CG1-CE2 4.26Å; V174-F178 HydrophobicContact CG1-CG 3.79Å; A175-F178 HydrophobicContact CB-CD2 3.8Å; A175-F178 HydrophobicContact CB-CE2 3.6Å; A175-F178 VanDerWaalsContact N-CD2 3.34Å; A175-F178 WeakPolarHBondContact O-CD2 3.3Å; K176-F178 PolarHBondContact O-N 3.45Å; F178-D182 HydrophobicContact CD1-CB 4.2Å; F178-V183 HydrophobicContact CD1-CG2 3.92Å; F178-V183 HydrophobicContact CE1-CG2 4.44Å; F178-M255 HydrophobicContact CB-SD 4.49Å
179	Q	59.4	Low	65.1	Low	138 Å²	138	38.9 Å²	38.9	65%	0.645	19%	0.191	S	C	*	.			trans	-77.4	158.7	174.5	-60.1	-167.1	20.6	0	0	110.3	E177 D181 D182	E177-Q179 PolarHBondContact O-N 2.9Å; E177-Q179 VanDerWaalsContact O-N 3.14Å; Q179-D181 PolarHBondContact O-N 2.95Å; Q179-D182 PolarHBondContact N-OD2 2.86Å; Q179-D182 WeakPolarHBondContact O-CB 3.4Å; Q179-D182 PolarHBondContact O-N 3.03Å
180	K	53.9	Low	63.3	Low	78 Å²	78	42 Å²	42	34%	0.339	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-29.4	178.4	-179.9	170.9	171.3	153.8	0	114.2	I254	K180-I254 HydrophobicContact CD-CB 4.35Å; K180-I254 HydrophobicContact CD-CG1 4.41Å; K180-I254 HydrophobicContact CD-CG2 3.71Å; K180-I254 HydrophobicContact CG-CB 4.07Å; K180-I254 HydrophobicContact CG-CG1 4.29Å; K180-I254 HydrophobicContact CG-CG2 3.82Å
181	D	58.7	Low	61.4	Low	59 Å²	59	44.1 Å²	44.1	32%	0.316	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	17.1	-172.1	-67.6	-39.3	0	0	0	112.5	Q179 Y184 R252	Q179-D181 PolarHBondContact O-N 2.95Å; D181-Y184 WeakPolarHBondContact CA-OH 3.48Å; D181-Y184 WeakPolarHBondContact CB-OH 3.48Å; D181-Y184 WeakPolarHBondContact O-CE2 3.39Å; D181-Y184 PolarHBondContact O-OH 2.79Å; D181-R252 IonicContact OD1-NE 3.38Å; D181-R252 PolarHBondContact OD1-NE 3.05Å; D181-R252 IonicContact OD1-NH2 3.79Å; D181-R252 IonicContact OD2-NH2 3.77Å
182	D	62.3	Low	59.5	Low	10 Å²	10	51.5 Å²	51.5	5%	0.053	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-31.2	-179.1	-68.1	-5.5	0	0	0	112.8	K122 F124 F178 Q179	K122-D182 PolarHBondContact N-O 3.42Å; F124-D182 HydrophobicContact CE2-CB 4.3Å; F178-D182 HydrophobicContact CD1-CB 4.2Å; Q179-D182 PolarHBondContact N-OD2 2.86Å; Q179-D182 WeakPolarHBondContact O-CB 3.4Å; Q179-D182 PolarHBondContact O-N 3.03Å
183	V	62.7	Low	57.4	Low	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.5	-174.2	-178.9	0	0	0	0	111	L121 F155 Y171 F178 I253 M255	L121-V183 VanDerWaalsContact CD2-CA 3.49Å; L121-V183 HydrophobicContact CD2-CB 3.68Å; L121-V183 HydrophobicContact CD2-CG1 3.58Å; L121-V183 HydrophobicContact CD2-CG2 3.56Å; F155-V183 HydrophobicContact CE2-CG2 4.12Å; F155-V183 HydrophobicContact CZ-CG1 4.12Å; F155-V183 HydrophobicContact CZ-CG2 3.85Å; Y171-V183 HydrophobicContact CE1-CG1 4.16Å; F178-V183 HydrophobicContact CD1-CG2 3.92Å; F178-V183 HydrophobicContact CE1-CG2 4.44Å; V183-I253 WeakPolarHBondContact O-CB 3.35Å; V183-M255 HydrophobicContact CB-CE 4.48Å; V183-M255 HydrophobicContact CB-SD 3.79Å; V183-M255 HydrophobicContact CG2-CE 4.06Å; V183-M255 HydrophobicContact CG2-SD 3.47Å; V183-M255 WeakPolarHBondContact CG2-SD 3.38Å
184	Y	61.4	Low	55.6	Low	23 Å²	23	53.1 Å²	53.1	9%	0.09	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.9	176.9	-56.8	-91.6	0	0	0	112.1	N119 F120 K122 D181	N119-Y184 CarbonylContact C-O 3.58Å; N119-Y184 PolarHBondContact OD1-O 2.86Å; F120-Y184 CarbonylContact C-O 3.6Å; F120-Y184 HydrophobicContact CD2-CD2 4.39Å; F120-Y184 HydrophobicContact CE1-CG 4.23Å; F120-Y184 AromaticContact CE2-CD2 3.76Å; F120-Y184 HydrophobicContact CE2-CD2 3.76Å; F120-Y184 HydrophobicContact CE2-CE2 4.46Å; F120-Y184 HydrophobicContact CE2-CG 4.11Å; F120-Y184 AromaticContact CZ-CD2 3.91Å; F120-Y184 HydrophobicContact CZ-CD2 3.91Å; F120-Y184 AromaticContact CZ-CG 3.78Å; F120-Y184 HydrophobicContact CZ-CG 3.78Å; F120-Y184 PolarHBondContact N-O 2.78Å; F120-Y184 CarbonylContact O-C 3.59Å; F120-Y184 WeakPolarHBondContact O-CA 3.36Å; F120-Y184 WeakPolarHBondContact O-CB 2.95Å; F120-Y184 PolarHBondContact O-N 2.89Å; K122-Y184 HydrophobicContact CB-CD2 4.03Å; K122-Y184 HydrophobicContact CB-CE2 3.65Å; K122-Y184 HydrophobicContact CD-CE2 4.13Å; D181-Y184 WeakPolarHBondContact CA-OH 3.48Å; D181-Y184 WeakPolarHBondContact CB-OH 3.48Å; D181-Y184 WeakPolarHBondContact O-CE2 3.39Å; D181-Y184 PolarHBondContact O-OH 2.79Å
185	S	61.2	Low	54.2	Low	2 Å²	2	58.4 Å²	58.4	1%	0.014	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.2	168.3	-32.1	0	0	0	0	108.9	V118 N119 Y171 I253	V118-S185 WeakPolarHBondContact O-CA 3.42Å; N119-S185 VanDerWaalsContact CG-OG 3.28Å; N119-S185 PolarHBondContact ND2-OG 2.84Å; N119-S185 VanDerWaalsContact ND2-OG 3.16Å; N119-S185 PolarHBondContact OD1-OG 3.36Å; Y171-S185 PolarHBondContact OH-OG 2.96Å; S185-I253 VanDerWaalsContact OG-CD1 3.28Å; S185-I253 WeakPolarHBondContact OG-CD1 3.12Å
186	L	61.8	Low	52.9	Low	18 Å²	18	61 Å²	61	9%	0.094	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.4	-173.2	174.7	77.2	0	0	0	107.9	V118 V249	V118-L186 CarbonylContact C-O 3.43Å; V118-L186 HydrophobicContact CB-CB 4.2Å; V118-L186 HydrophobicContact CB-CD2 4.41Å; V118-L186 HydrophobicContact CG2-CD2 4.46Å; V118-L186 PolarHBondContact N-O 3.13Å; V118-L186 CarbonylContact O-C 3.54Å; V118-L186 PolarHBondContact O-N 3.03Å; L186-V249 VanDerWaalsContact CD2-O 3.25Å; L186-V249 WeakPolarHBondContact CD2-O 3.49Å
187	F	62.1	Low	51.3	Low	5 Å²	5	58.2 Å²	58.2	2%	0.022	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.4	165.4	-68	-88.7	0	0	0	108.5	I117 I167 F169 F214 V227 M229	I117-F187 HydrophobicContact CB-CD1 4.14Å; I117-F187 HydrophobicContact CB-CE1 4.13Å; I117-F187 HydrophobicContact CD1-CE1 4.21Å; I117-F187 HydrophobicContact CG1-CD1 3.79Å; I117-F187 HydrophobicContact CG1-CE1 3.74Å; I117-F187 HydrophobicContact CG2-CD1 3.89Å; I117-F187 HydrophobicContact CG2-CE1 3.55Å; I117-F187 HydrophobicContact CG2-CZ 4.26Å; I167-F187 HydrophobicContact CD1-CE1 3.94Å; I167-F187 HydrophobicContact CG2-CE1 4.14Å; I167-F187 HydrophobicContact CG2-CZ 4.1Å; F169-F187 HydrophobicContact CD2-CZ 4.49Å; F169-F187 HydrophobicContact CE2-CE1 4.25Å; F169-F187 AromaticContact CE2-CE2 3.58Å; F169-F187 HydrophobicContact CE2-CE2 3.58Å; F169-F187 AromaticContact CE2-CZ 3.23Å; F169-F187 HydrophobicContact CE2-CZ 3.23Å; F169-F187 AromaticContact CZ-CE1 3.93Å; F169-F187 HydrophobicContact CZ-CE1 3.93Å; F169-F187 HydrophobicContact CZ-CE2 4.01Å; F169-F187 AromaticContact CZ-CZ 3.34Å; F169-F187 HydrophobicContact CZ-CZ 3.34Å; F187-F214 AromaticContact CD1-CE1 3.97Å; F187-F214 HydrophobicContact CD1-CE1 3.97Å; F187-F214 HydrophobicContact CD2-CE1 4.29Å; F187-F214 HydrophobicContact CE1-CD1 4.03Å; F187-F214 AromaticContact CE1-CE1 3.6Å; F187-F214 HydrophobicContact CE1-CE1 3.6Å; F187-F214 AromaticContact CE2-CD1 3.8Å; F187-F214 HydrophobicContact CE2-CD1 3.8Å; F187-F214 AromaticContact CE2-CE1 3.92Å; F187-F214 HydrophobicContact CE2-CE1 3.92Å; F187-F214 HydrophobicContact CG-CE1 4.28Å; F187-F214 AromaticContact CZ-CD1 3.49Å; F187-F214 HydrophobicContact CZ-CD1 3.49Å; F187-F214 VanDerWaalsContact CZ-CD1 3.49Å; F187-F214 AromaticContact CZ-CE1 3.54Å; F187-F214 HydrophobicContact CZ-CE1 3.54Å; F187-V227 HydrophobicContact CD2-CG1 4.41Å; F187-V227 HydrophobicContact CE2-CG1 4.33Å; F187-M229 HydrophobicContact CB-CG 3.76Å; F187-M229 HydrophobicContact CB-SD 3.21Å; F187-M229 WeakPolarHBondContact CB-SD 3.17Å; F187-M229 HydrophobicContact CD2-CG 4.12Å; F187-M229 HydrophobicContact CD2-SD 4.1Å; F187-M229 HydrophobicContact CG-CG 4.28Å; F187-M229 HydrophobicContact CG-SD 3.76Å
188	S	57.7	Low	50	Low	26 Å²	26	60.4 Å²	60.4	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.2	179	68.2	0	0	0	0	110	G116	G116-S188 PolarHBondContact N-O 3.07Å; G116-S188 PolarHBondContact O-N 3.09Å; G116-S188 PolarHBondContact O-OG 3.38Å
189	A	50.1	Low	48.7	Very low	19 Å²	19	64.9 Å²	64.9	16%	0.157	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.4	179.3	0	0	0	0	0	109.4	Y91 E115 L191	Y91-A189 HydrophobicContact CE2-CB 4.33Å; E115-A189 HydrophobicContact CG-CB 4.27Å; E115-A189 VanDerWaalsContact OE2-CA 3.3Å; E115-A189 WeakPolarHBondContact OE2-CA 3.49Å; E115-A189 WeakPolarHBondContact OE2-CB 3.45Å; A189-L191 PolarHBondContact O-N 3.04Å
190	C	43.7	Very low	47.5	Very low	69 Å²	69	65 Å²	65	47%	0.466	33%	0.328	S	S	.	.			trans	-93.6	91.7	171.4	-88.9	0	0	0	0	109.9	V114 R192	V114-C190 WeakPolarHBondContact O-CB 3.38Å; C190-R192 PolarHBondContact O-N 3.05Å
191	L	42.5	Very low	46.7	Very low	58 Å²	58	69.9 Å²	69.9	30%	0.304	35%	0.349	S	S	.	.			trans	-85.9	114.4	176.4	-66.5	169.5	0	0	0	110.4	A189 V193 K231	A189-L191 PolarHBondContact O-N 3.04Å; L191-V193 PolarHBondContact O-N 3.05Å; L191-V193 VanDerWaalsContact O-N 3.11Å; L191-K231 HydrophobicContact CD1-CD 3.9Å; L191-K231 VanDerWaalsContact CD1-CE 3.44Å
192	R	38.8	Very low	45.6	Very low	156 Å²	156	72.1 Å²	72.1	59%	0.589	36%	0.361	S	S	*	.			trans	-63.8	111.4	174.1	-70.5	-172.5	-174.5	-177.5	4	110.5	C190 A194 K195	C190-R192 PolarHBondContact O-N 3.05Å; R192-A194 PolarHBondContact O-N 2.99Å; R192-K195 PolarHBondContact O-N 3.13Å
193	V	36	Very low	44	Very low	71 Å²	71	75.7 Å²	75.7	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-61.9	-23.6	-179.8	179.5	0	0	0	0	112.9	L191 K195 I196	L191-V193 PolarHBondContact O-N 3.05Å; L191-V193 VanDerWaalsContact O-N 3.11Å; V193-K195 VanDerWaalsContact C-N 3.29Å; V193-K195 PolarHBondContact O-N 3.36Å; V193-I196 WeakPolarHBondContact O-CB 3.33Å; V193-I196 PolarHBondContact O-N 2.9Å; V193-I196 VanDerWaalsContact O-N 3.09Å
194	A	35.8	Very low	42.3	Very low	64 Å²	64	80 Å²	80	53%	0.529	43%	0.43	S	S	.	.	H	α-helix	trans	-67.7	-22.9	178.2	0	0	0	0	0	114.3	R192 I196	R192-A194 PolarHBondContact O-N 2.99Å; A194-I196 VanDerWaalsContact C-N 3.32Å
195	K	39	Very low	40.7	Very low	117 Å²	117	88 Å²	88	51%	0.509	47%	0.465	S	S	.	.	H	α-helix	trans	-70.1	-34.3	172.7	-122.5	174.8	-179.3	176.3	0	110.1	R192 V193 E197 K198 F199	R192-K195 PolarHBondContact O-N 3.13Å; V193-K195 VanDerWaalsContact C-N 3.29Å; V193-K195 PolarHBondContact O-N 3.36Å; K195-E197 PolarHBondContact O-N 2.95Å; K195-K198 PolarHBondContact O-N 3.35Å; K195-F199 HydrophobicContact CB-CD2 4.2Å; K195-F199 HydrophobicContact CB-CE2 4Å; K195-F199 HydrophobicContact CD-CE2 4.09Å; K195-F199 HydrophobicContact CG-CD2 4.36Å; K195-F199 HydrophobicContact CG-CE2 3.75Å; K195-F199 WeakPolarHBondContact O-CD2 3.27Å; K195-F199 PolarHBondContact O-N 3.07Å
196	I	36.9	Very low	39.1	Very low	78 Å²	78	91.9 Å²	91.9	40%	0.4	49%	0.489	S	S	.	.	H	α-helix	trans	-65.9	-38.6	-176.2	-55.4	177.6	0	0	0	111.7	V193 A194 K198 F199 L200	V193-I196 WeakPolarHBondContact O-CB 3.33Å; V193-I196 PolarHBondContact O-N 2.9Å; V193-I196 VanDerWaalsContact O-N 3.09Å; A194-I196 VanDerWaalsContact C-N 3.32Å; I196-K198 VanDerWaalsContact C-N 3.34Å; I196-K198 PolarHBondContact O-N 3.43Å; I196-F199 PolarHBondContact O-N 2.68Å; I196-L200 HydrophobicContact CG2-CD1 4.11Å; I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 3.22Å
197	E	30.1	Very low	37.5	Very low	101 Å²	101	92.8 Å²	92.8	47%	0.472	50%	0.499	S	S	.	.	H	α-helix	trans	-69.1	-30.8	176.9	-71.4	-179.6	157.9	0	0	112.9	K195 K201 R236	K195-E197 PolarHBondContact O-N 2.95Å; E197-K201 WeakPolarHBondContact O-CG 3.34Å; E197-K201 PolarHBondContact O-N 3.44Å; E197-R236 IonicContact OE2-NH2 3.78Å
198	K	33.6	Very low	35.8	Very low	159 Å²	159	101 Å²	101	69%	0.691	53%	0.53	S	S	*	.	H	α-helix	trans	-75.2	-33.1	174.8	-130.1	177.7	-176.1	-179.8	0	111.8	K195 I196 L200 N202	K195-K198 PolarHBondContact O-N 3.35Å; I196-K198 VanDerWaalsContact C-N 3.34Å; I196-K198 PolarHBondContact O-N 3.43Å; K198-L200 VanDerWaalsContact C-N 3.34Å; K198-N202 PolarHBondContact O-N 2.92Å
199	F	34.2	Very low	34.5	Very low	111 Å²	111	104.6 Å²	104.6	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-70.2	-27.1	172.7	-79.2	-66.7	0	0	0	113.4	K195 I196	K195-F199 HydrophobicContact CB-CD2 4.2Å; K195-F199 HydrophobicContact CB-CE2 4Å; K195-F199 HydrophobicContact CD-CE2 4.09Å; K195-F199 HydrophobicContact CG-CD2 4.36Å; K195-F199 HydrophobicContact CG-CE2 3.75Å; K195-F199 WeakPolarHBondContact O-CD2 3.27Å; K195-F199 PolarHBondContact O-N 3.07Å; I196-F199 PolarHBondContact O-N 2.68Å
200	L	34.9	Very low	33.4	Very low	140 Å²	140	110.5 Å²	110.5	73%	0.733	56%	0.558	S	S	*	*	H	α-helix	trans	-86.1	-26.4	176.7	-69.9	169.8	0	0	0	113.4	I196 K198	I196-L200 HydrophobicContact CG2-CD1 4.11Å; I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 3.22Å; K198-L200 VanDerWaalsContact C-N 3.34Å
201	K	37.3	Very low	32.8	Very low	181 Å²	181	111.2 Å²	111.2	79%	0.787	56%	0.563	S	S	*	*	H	α-helix	trans	-89.2	-26.1	-179.5	-75.9	-174.9	175.9	-176.6	0	114.6	E197	E197-K201 WeakPolarHBondContact O-CG 3.34Å; E197-K201 PolarHBondContact O-N 3.44Å
202	N	35.1	Very low	32.6	Very low	106 Å²	106	109.1 Å²	109.1	57%	0.567	55%	0.552	S	S	*	*	S	Bend	trans	-106.4	100.6	173	-75.7	-3.8	0	0	0	107.9	K198 S204	K198-N202 PolarHBondContact O-N 2.92Å; N202-S204 PolarHBondContact O-N 2.85Å
203	G	28.9	Very low	32.5	Very low	84 Å²	84	108.3 Å²	108.3	87%	0.866	55%	0.553	S	S	*	*			trans	-63.6	48.6	-178.4	0	0	0	0	0	115.7
204	S	27.9	Very low	33.2	Very low	92 Å²	92	105.3 Å²	105.3	64%	0.643	53%	0.534	S	S	*	.			trans	-146.1	114.7	-166.5	-61	0	0	0	0	111.4	N202	N202-S204 PolarHBondContact O-N 2.85Å
205	K	27.8	Very low	33.6	Very low	191 Å²	191	102.9 Å²	102.9	83%	0.83	51%	0.513	S	S	*	.			trans	73.3	88	164.9	-61.9	-176	-179.9	178.5	0	116.7
206	V	26.8	Very low	34.2	Very low	83 Å²	83	97.5 Å²	97.5	50%	0.503	49%	0.49	S	S	.	.			trans	-29.3	127.5	160.5	-172.3	0	0	0	0	114.2	F23 R208	F23-V206 HydrophobicContact CD1-CB 3.64Å; F23-V206 HydrophobicContact CD1-CG1 3.22Å; F23-V206 HydrophobicContact CD1-CG2 3.42Å; F23-V206 VanDerWaalsContact CD1-CG2 3.42Å; F23-V206 HydrophobicContact CE1-CB 3.37Å; F23-V206 HydrophobicContact CE1-CG1 3.41Å; F23-V206 VanDerWaalsContact CE1-CG1 3.41Å; F23-V206 HydrophobicContact CE1-CG2 3.3Å; F23-V206 HydrophobicContact CG-CG1 4.47Å; V206-R208 PolarHBondContact O-N 3.36Å
207	A	29	Very low	34.8	Very low	38 Å²	38	94.1 Å²	94.1	31%	0.314	47%	0.472	S	S	.	.			trans	-56.2	125.3	165.4	0	0	0	0	0	110.3	W209	A207-W209 PolarHBondContact O-N 2.87Å; A207-W209 VanDerWaalsContact O-N 3.13Å
208	R	25.7	Very low	35.6	Very low	177 Å²	177	89.3 Å²	89.3	67%	0.668	45%	0.45	S	S	*	.			trans	-80.2	94.4	179.3	-151.8	-173.2	-60.7	169.2	1.5	106.3	D92 V206 W210	D92-R208 VanDerWaalsContact OD2-O 3.06Å; V206-R208 PolarHBondContact O-N 3.36Å; R208-W210 VanDerWaalsContact O-CD1 3.32Å; R208-W210 PolarHBondContact O-N 3.48Å
209	W	30.8	Very low	36	Very low	101 Å²	101	83.6 Å²	83.6	38%	0.383	43%	0.426	S	S	.	.			trans	-68.3	111.7	177.5	-66.4	90.4	0	0	0	109.9	C26 Y91 A207	C26-W209 VanDerWaalsContact SG-CE2 3.51Å; C26-W209 WeakPolarHBondContact SG-CZ2 3.22Å; C26-W209 PolarHBondContact SG-NE1 3.07Å; Y91-W209 HydrophobicContact CD1-CZ3 4.4Å; Y91-W209 HydrophobicContact CE1-CZ3 4.42Å; A207-W209 PolarHBondContact O-N 2.87Å; A207-W209 VanDerWaalsContact O-N 3.13Å
210	W	26.7	Very low	36.3	Very low	144 Å²	144	80.7 Å²	80.7	55%	0.545	42%	0.415	S	S	.	.			trans	-79.7	121.5	162.7	-61.1	87.9	0	0	0	108.1	D92 R208 M212	D92-W210 PolarHBondContact OD1-NE1 2.72Å; R208-W210 VanDerWaalsContact O-CD1 3.32Å; R208-W210 PolarHBondContact O-N 3.48Å; W210-M212 PolarHBondContact O-N 2.83Å
211	S	31.1	Very low	36.3	Very low	83 Å²	83	78.2 Å²	78.2	58%	0.58	41%	0.406	S	S	*	.			trans	-70	108.9	162.5	-49.7	0	0	0	0	107.2	K213	S211-K213 PolarHBondContact O-N 2.91Å
212	M	39	Very low	36.6	Very low	14 Å²	14	70 Å²	70	7%	0.069	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.4	170.3	-73.2	-168.5	84.4	0	0	108.4	Y56 S57 F90 Y91 G165 I167 W210 F214	Y56-M212 WeakPolarHBondContact CA-O 3.39Å; S57-M212 PolarHBondContact N-O 2.95Å; F90-M212 HydrophobicContact CD2-CE 3.42Å; F90-M212 VanDerWaalsContact CD2-CE 3.42Å; F90-M212 HydrophobicContact CD2-SD 3.57Å; F90-M212 VanDerWaalsContact CD2-SD 3.57Å; F90-M212 HydrophobicContact CE2-CE 3.33Å; F90-M212 HydrophobicContact CE2-SD 3.3Å; F90-M212 WeakPolarHBondContact CE2-SD 3.41Å; F90-M212 HydrophobicContact CG-SD 4.43Å; F90-M212 HydrophobicContact CZ-CE 4.47Å; F90-M212 HydrophobicContact CZ-SD 3.99Å; Y91-M212 HydrophobicContact CE2-SD 4.28Å; G165-M212 WeakPolarHBondContact O-CE 3.37Å; I167-M212 HydrophobicContact CD1-CE 3.68Å; I167-M212 HydrophobicContact CG1-CE 4.34Å; W210-M212 PolarHBondContact O-N 2.83Å; M212-F214 HydrophobicContact CB-CD2 4.1Å; M212-F214 HydrophobicContact CB-CE2 3.22Å; M212-F214 HydrophobicContact CB-CZ 3.53Å; M212-F214 HydrophobicContact CE-CZ 4.38Å; M212-F214 HydrophobicContact CG-CE2 4.46Å; M212-F214 HydrophobicContact CG-CZ 4.4Å; M212-F214 WeakPolarHBondContact O-CD2 3.28Å; M212-F214 WeakPolarHBondContact O-CE2 3.01Å; M212-F214 HydrophobicContact SD-CZ 4.03Å
213	K	36.9	Very low	36.9	Very low	140 Å²	140	68.8 Å²	68.8	61%	0.609	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.8	173.8	-71.5	-175	-179.8	-179.8	0	108.1	K166 S211	K166-K213 WeakPolarHBondContact CA-O 3.46Å; S211-K213 PolarHBondContact O-N 2.91Å
214	F	49.6	Very low	37.7	Very low	7 Å²	7	64.8 Å²	64.8	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.7	179	-60.2	-101.1	0	0	0	108.9	Y56 S57 L59 I167 F187 M212 M229	Y56-F214 AromaticContact CD2-CD2 3.95Å; Y56-F214 HydrophobicContact CD2-CD2 3.95Å; Y56-F214 HydrophobicContact CD2-CE2 4.39Å; Y56-F214 HydrophobicContact CD2-CG 4.41Å; Y56-F214 AromaticContact CG-CD2 3.97Å; Y56-F214 HydrophobicContact CG-CD2 3.97Å; Y56-F214 AromaticContact CG-CE2 4Å; Y56-F214 HydrophobicContact CG-CE2 4Å; S57-F214 WeakPolarHBondContact O-CA 3.33Å; S57-F214 WeakPolarHBondContact O-CB 3.5Å; S57-F214 PolarHBondContact O-N 2.7Å; L59-F214 PolarHBondContact N-O 2.77Å; I167-F214 HydrophobicContact CB-CD1 4.25Å; I167-F214 HydrophobicContact CD1-CE1 4.1Å; F187-F214 AromaticContact CD1-CE1 3.97Å; F187-F214 HydrophobicContact CD1-CE1 3.97Å; F187-F214 HydrophobicContact CD2-CE1 4.29Å; F187-F214 HydrophobicContact CE1-CD1 4.03Å; F187-F214 AromaticContact CE1-CE1 3.6Å; F187-F214 HydrophobicContact CE1-CE1 3.6Å; F187-F214 AromaticContact CE2-CD1 3.8Å; F187-F214 HydrophobicContact CE2-CD1 3.8Å; F187-F214 AromaticContact CE2-CE1 3.92Å; F187-F214 HydrophobicContact CE2-CE1 3.92Å; F187-F214 HydrophobicContact CG-CE1 4.28Å; F187-F214 AromaticContact CZ-CD1 3.49Å; F187-F214 HydrophobicContact CZ-CD1 3.49Å; F187-F214 VanDerWaalsContact CZ-CD1 3.49Å; F187-F214 AromaticContact CZ-CE1 3.54Å; F187-F214 HydrophobicContact CZ-CE1 3.54Å; M212-F214 HydrophobicContact CB-CD2 4.1Å; M212-F214 HydrophobicContact CB-CE2 3.22Å; M212-F214 HydrophobicContact CB-CZ 3.53Å; M212-F214 HydrophobicContact CE-CZ 4.38Å; M212-F214 HydrophobicContact CG-CE2 4.46Å; M212-F214 HydrophobicContact CG-CZ 4.4Å; M212-F214 WeakPolarHBondContact O-CD2 3.28Å; M212-F214 WeakPolarHBondContact O-CE2 3.01Å; M212-F214 HydrophobicContact SD-CZ 4.03Å; F214-M229 HydrophobicContact CE2-CE 4.02Å; F214-M229 HydrophobicContact CZ-CE 3.82Å; F214-M229 HydrophobicContact CZ-SD 4.03Å
215	T	45.6	Very low	38.4	Very low	14 Å²	14	61.7 Å²	61.7	9%	0.086	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	95.1	179.8	-61.3	0	0	0	0	108.1	L59 K166 I167 A168 F169 I217	L59-T215 HydrophobicContact CB-CG2 4.17Å; L59-T215 HydrophobicContact CD2-CG2 3.72Å; L59-T215 HydrophobicContact CG-CG2 3.93Å; L59-T215 CarbonylContact O-C 3.6Å; L59-T215 WeakPolarHBondContact O-CA 3.43Å; K166-T215 VanDerWaalsContact CE-OG1 3.31Å; K166-T215 WeakPolarHBondContact CE-OG1 3.32Å; I167-T215 PolarHBondContact O-N 3.37Å; A168-T215 WeakPolarHBondContact CA-O 3.43Å; A168-T215 WeakPolarHBondContact CB-O 3.42Å; F169-T215 PolarHBondContact N-O 3.49Å; T215-I217 HydrophobicContact CG2-CD1 3.54Å; T215-I217 HydrophobicContact CG2-CG1 3.68Å
216	V	50.5	Low	39.2	Very low	4 Å²	4	56.5 Å²	56.5	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.9	170.2	-173.5	0	0	0	0	107.7	Q58 L59 I60 R61 F169 Y171 V218 L224 V227	Q58-V216 HydrophobicContact CG-CG2 4.42Å; L59-V216 CarbonylContact C-O 3.48Å; L59-V216 CarbonylContact O-C 3.36Å; L59-V216 WeakPolarHBondContact O-CA 3.23Å; L59-V216 PolarHBondContact O-N 2.87Å; I60-V216 CarbonylContact C-O 3.56Å; I60-V216 WeakPolarHBondContact CA-O 3.24Å; I60-V216 HydrophobicContact CG1-CB 4.42Å; R61-V216 PolarHBondContact N-O 2.92Å; F169-V216 HydrophobicContact CD2-CG2 4.47Å; Y171-V216 HydrophobicContact CE2-CG1 4.03Å; V216-V218 HydrophobicContact CG1-CG2 4.4Å; V216-L224 HydrophobicContact CG1-CD1 3.7Å; V216-V227 HydrophobicContact CG2-CG2 4.1Å
217	I	49.3	Very low	40.1	Very low	6 Å²	6	53 Å²	53	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.3	177.6	-66.2	169.7	0	0	0	107.3	R61 Q64 F169 Y170 Y171 T215	R61-I217 HydrophobicContact CB-CG1 4.28Å; R61-I217 HydrophobicContact CB-CG2 4.42Å; Q64-I217 HydrophobicContact CB-CG2 3.4Å; Q64-I217 VanDerWaalsContact CB-CG2 3.4Å; Q64-I217 HydrophobicContact CG-CG2 3.69Å; F169-I217 CarbonylContact C-O 3.58Å; F169-I217 CarbonylContact O-C 3.52Å; F169-I217 WeakPolarHBondContact O-CA 3.31Å; F169-I217 PolarHBondContact O-N 3.43Å; Y170-I217 VanDerWaalsContact CA-O 3.31Å; Y170-I217 WeakPolarHBondContact CA-O 3.47Å; Y170-I217 HydrophobicContact CD1-CB 3.85Å; Y170-I217 HydrophobicContact CD1-CG2 3.6Å; Y170-I217 HydrophobicContact CE1-CB 3.62Å; Y170-I217 HydrophobicContact CE1-CD1 3.73Å; Y170-I217 HydrophobicContact CE1-CG1 4.25Å; Y170-I217 HydrophobicContact CE1-CG2 3.35Å; Y170-I217 HydrophobicContact CE2-CB 4.43Å; Y170-I217 HydrophobicContact CE2-CD1 4.13Å; Y170-I217 HydrophobicContact CG-CB 4.38Å; Y170-I217 WeakPolarHBondContact OH-CD1 3.32Å; Y171-I217 PolarHBondContact N-O 2.89Å; T215-I217 HydrophobicContact CG2-CD1 3.54Å; T215-I217 HydrophobicContact CG2-CG1 3.68Å
218	V	47.8	Very low	40.8	Very low	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130	-176.5	-167.9	0	0	0	0	107.2	R61 L62 N63 Y171 V216 L224	R61-V218 PolarHBondContact O-N 3.36Å; L62-V218 CarbonylContact C-O 3.54Å; L62-V218 VanDerWaalsContact C-O 3.24Å; L62-V218 WeakPolarHBondContact CA-O 3.43Å; L62-V218 HydrophobicContact CD2-CB 3.9Å; L62-V218 HydrophobicContact CD2-CG1 4.49Å; L62-V218 HydrophobicContact CD2-CG2 4.26Å; N63-V218 PolarHBondContact N-O 2.82Å; Y171-V218 HydrophobicContact CD2-CG2 4.2Å; V216-V218 HydrophobicContact CG1-CG2 4.4Å; V218-L224 HydrophobicContact CG2-CB 4.3Å; V218-L224 HydrophobicContact CG2-CD1 3.32Å; V218-L224 HydrophobicContact CG2-CG 3.79Å
219	Q	40.4	Very low	41.5	Very low	40 Å²	40	48.3 Å²	48.3	19%	0.187	23%	0.23	C	C	.	.			trans	-85.2	-22.5	-178.5	-57.7	-149.2	-52.8	0	0	113.9	N63 Q64 S65 Y171 D172	N63-Q219 VanDerWaalsContact CA-O 3.27Å; N63-Q219 WeakPolarHBondContact CA-O 3.2Å; N63-Q219 PolarHBondContact OD1-O 3.39Å; Q64-Q219 WeakPolarHBondContact O-CG 3.29Å; Q64-Q219 PolarHBondContact O-NE2 3.2Å; S65-Q219 VanDerWaalsContact C-NE2 3.3Å; Y171-Q219 WeakPolarHBondContact O-CB 3.08Å; Y171-Q219 WeakPolarHBondContact O-CG 2.99Å; Y171-Q219 PolarHBondContact O-N 3.44Å; Y171-Q219 VanDerWaalsContact O-N 3.12Å; D172-Q219 VanDerWaalsContact CG-CD 3.49Å; D172-Q219 WeakPolarHBondContact OD1-CG 3.48Å; D172-Q219 PolarHBondContact OD1-OE1 3.03Å
220	N	42.2	Very low	41.7	Very low	50 Å²	50	46.4 Å²	46.4	27%	0.267	23%	0.225	S	C	.	.	S	Bend	trans	-109.5	168	-173.9	-75.5	-5.2	0	0	0	112.2	V174 I222	V174-N220 HydrophobicContact CB-CB 4.25Å; V174-N220 HydrophobicContact CG2-CB 4.49Å; V174-N220 PolarHBondContact N-ND2 3.22Å; V174-N220 VanDerWaalsContact N-ND2 3.12Å; V174-N220 PolarHBondContact O-ND2 3.24Å; N220-I222 PolarHBondContact O-N 2.86Å
221	T	34.4	Very low	42.3	Very low	87 Å²	87	41.9 Å²	41.9	53%	0.534	21%	0.209	S	C	.	.	S	Bend	trans	-63.8	0.5	-173.6	-5.1	0	0	0	0	114.6
222	I	43.5	Very low	42.3	Very low	8 Å²	8	43.4 Å²	43.4	4%	0.041	21%	0.207	C	C	.	.			trans	-87.8	117.6	-177	-64	164.7	0	0	0	108.8	V174 A175 N220 L224 M255	V174-I222 HydrophobicContact CB-CD1 3.97Å; V174-I222 HydrophobicContact CG1-CD1 3.36Å; A175-I222 WeakPolarHBondContact O-CD1 3.4Å; N220-I222 PolarHBondContact O-N 2.86Å; I222-L224 PolarHBondContact O-N 3.48Å; I222-M255 HydrophobicContact CB-CE 4.24Å; I222-M255 HydrophobicContact CG2-CB 3.46Å; I222-M255 VanDerWaalsContact CG2-CB 3.46Å; I222-M255 HydrophobicContact CG2-CE 3.58Å; I222-M255 HydrophobicContact CG2-CG 3.56Å; I222-M255 HydrophobicContact CG2-SD 3.9Å
223	R	40.4	Very low	41.7	Very low	81 Å²	81	50.3 Å²	50.3	31%	0.306	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	109.7	179.7	-166.2	175.7	173.8	-179	-5.7	108.9	E44 E49 T225 I254 M255 N256	E44-R223 IonicContact OE1-CZ 3.85Å; E44-R223 VanDerWaalsContact OE1-CZ 3.31Å; E44-R223 IonicContact OE1-NH1 3.03Å; E44-R223 PolarHBondContact OE1-NH1 3.17Å; E44-R223 VanDerWaalsContact OE1-NH1 3.11Å; E44-R223 IonicContact OE1-NH2 2.71Å; E44-R223 PolarHBondContact OE1-NH2 3.32Å; E49-R223 IonicContact OE2-CZ 2.75Å; E49-R223 IonicContact OE2-NH2 2.56Å; E49-R223 PolarHBondContact OE2-NH2 2.79Å; R223-T225 HydrophobicContact CB-CG2 4.24Å; R223-T225 HydrophobicContact CG-CG2 3.81Å; R223-T225 PolarHBondContact O-N 3.39Å; R223-I254 VanDerWaalsContact O-O 3.14Å; R223-M255 WeakPolarHBondContact O-CA 3.47Å; R223-N256 PolarHBondContact N-O 3.34Å; R223-N256 PolarHBondContact O-N 3.2Å
224	L	47.3	Very low	41.2	Very low	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	107.6	161.5	-66.1	172.8	0	0	0	107.4	I60 Y171 V216 V218 I222 I253 M255	I60-L224 WeakPolarHBondContact CD1-O 3.38Å; Y171-L224 HydrophobicContact CD2-CD1 3.6Å; Y171-L224 HydrophobicContact CE2-CD1 3.35Å; Y171-L224 HydrophobicContact CG-CD1 4.48Å; V216-L224 HydrophobicContact CG1-CD1 3.7Å; V218-L224 HydrophobicContact CG2-CB 4.3Å; V218-L224 HydrophobicContact CG2-CD1 3.32Å; V218-L224 HydrophobicContact CG2-CG 3.79Å; I222-L224 PolarHBondContact O-N 3.48Å; L224-I253 HydrophobicContact CB-CG2 4.3Å; L224-I253 HydrophobicContact CD2-CG2 3.3Å; L224-I253 HydrophobicContact CG-CG2 4.38Å; L224-M255 HydrophobicContact CD2-CE 3.64Å; L224-M255 HydrophobicContact CD2-CG 3.64Å; L224-M255 HydrophobicContact CD2-SD 4.15Å; L224-M255 HydrophobicContact CG-CE 4.32Å
225	T	42.4	Very low	40	Very low	27 Å²	27	56.8 Å²	56.8	17%	0.166	27%	0.274	C	S	.	.			trans	-96.3	-10.3	-175.1	58.7	0	0	0	0	113.5	R223 I254 N256	R223-T225 HydrophobicContact CB-CG2 4.24Å; R223-T225 HydrophobicContact CG-CG2 3.81Å; R223-T225 PolarHBondContact O-N 3.39Å; T225-I254 PolarHBondContact N-O 3.46Å; T225-I254 WeakPolarHBondContact OG1-CB 3.33Å; T225-I254 WeakPolarHBondContact OG1-CG2 3.42Å; T225-I254 PolarHBondContact OG1-O 3.29Å; T225-N256 HydrophobicContact CG2-CB 4.45Å
226	H	44.7	Very low	39.1	Very low	82 Å²	82	64.2 Å²	64.2	38%	0.38	30%	0.301	S	S	.	.			trans	-144	132.2	-178.1	-73.8	75	0	0	0	110.9	R252 I253 I254	H226-R252 WeakPolarHBondContact CB-O 3.02Å; H226-I253 WeakPolarHBondContact O-CA 3.36Å; H226-I253 VanDerWaalsContact O-CB 3.28Å; H226-I253 WeakPolarHBondContact O-CB 3.03Å; H226-I253 WeakPolarHBondContact O-CG1 3.34Å; H226-I253 WeakPolarHBondContact O-CG2 3.27Å; H226-I254 HydrophobicContact CB-CG1 4.38Å
227	V	45.5	Very low	37.9	Very low	9 Å²	9	70.2 Å²	70.2	6%	0.055	34%	0.337	C	S	.	.			trans	-131.3	121.1	160.5	175.8	0	0	0	0	105.2	Y56 F187 V216 I253	Y56-V227 PolarHBondContact OH-O 2.98Å; F187-V227 HydrophobicContact CD2-CG1 4.41Å; F187-V227 HydrophobicContact CE2-CG1 4.33Å; V216-V227 HydrophobicContact CG2-CG2 4.1Å; V227-I253 HydrophobicContact CG2-CD1 3.91Å
228	K	42.1	Very low	36.8	Very low	89 Å²	89	79.2 Å²	79.2	39%	0.387	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.2	-179	-79.6	178.9	174.6	-178.4	0	110.4	T251	K228-T251 HydrophobicContact CD-CG2 3.34Å
229	M	41.3	Very low	35.9	Very low	28 Å²	28	83.1 Å²	83.1	14%	0.138	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.7	159.9	-68.5	-128.5	-76.8	0	0	109.2	Y56 Y91 F187 F214	Y56-M229 HydrophobicContact CD1-CB 4.17Å; Y56-M229 HydrophobicContact CD1-CE 3.54Å; Y56-M229 HydrophobicContact CD1-CG 3.82Å; Y56-M229 HydrophobicContact CD1-SD 4.47Å; Y56-M229 HydrophobicContact CE1-CB 3.63Å; Y56-M229 HydrophobicContact CE1-CE 4.22Å; Y56-M229 HydrophobicContact CE1-CG 3.51Å; Y56-M229 HydrophobicContact CG-CE 4.01Å; Y56-M229 HydrophobicContact CG-CG 4.49Å; Y56-M229 PolarHBondContact OH-N 3.4Å; Y91-M229 WeakPolarHBondContact OH-CE 3.27Å; F187-M229 HydrophobicContact CB-CG 3.76Å; F187-M229 HydrophobicContact CB-SD 3.21Å; F187-M229 WeakPolarHBondContact CB-SD 3.17Å; F187-M229 HydrophobicContact CD2-CG 4.12Å; F187-M229 HydrophobicContact CD2-SD 4.1Å; F187-M229 HydrophobicContact CG-CG 4.28Å; F187-M229 HydrophobicContact CG-SD 3.76Å; F214-M229 HydrophobicContact CE2-CE 4.02Å; F214-M229 HydrophobicContact CZ-CE 3.82Å; F214-M229 HydrophobicContact CZ-SD 4.03Å
230	Q	35.3	Very low	35.2	Very low	61 Å²	61	84.3 Å²	84.3	29%	0.285	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124	172.8	-72.3	-157.3	-18	0	0	111.4	V249 T251	Q230-V249 VanDerWaalsContact OE1-CB 3.31Å; Q230-T251 PolarHBondContact NE2-OG1 3.19Å; Q230-T251 VanDerWaalsContact NE2-OG1 3.15Å; Q230-T251 PolarHBondContact OE1-OG1 3.22Å
231	K	39	Very low	34.4	Very low	49 Å²	49	92.2 Å²	92.2	21%	0.213	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.8	164.8	-179.1	173.2	173.5	169	0	109.6	K36 L191	K36-K231 PolarHBondContact NZ-O 3.27Å; L191-K231 HydrophobicContact CD1-CD 3.9Å; L191-K231 VanDerWaalsContact CD1-CE 3.44Å
232	H	30.1	Very low	33.9	Very low	115 Å²	115	94.2 Å²	94.2	53%	0.532	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-94.4	136.8	166.3	-127.3	-86.7	0	0	0	110.3	V249	H232-V249 WeakPolarHBondContact CD2-CG2 3.25Å; H232-V249 WeakPolarHBondContact NE2-CG2 2.88Å
233	Q	28.3	Very low	33.1	Very low	158 Å²	158	98.2 Å²	98.2	74%	0.738	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-102.6	125	164.5	-73.8	-163.1	-9.6	0	0	108.4
234	T	26.2	Very low	32.3	Very low	86 Å²	86	100.4 Å²	100.4	53%	0.528	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-85.7	117.9	171.4	-35.8	0	0	0	0	108.4
235	K	24.5	Very low	31.2	Very low	197 Å²	197	107.9 Å²	107.9	86%	0.857	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-72.6	131.5	165.6	-93	-177.3	174.4	179.4	0	108.6	V237	K235-V237 PolarHBondContact O-N 2.81Å
236	R	25.7	Very low	30.3	Very low	170 Å²	170	109.7 Å²	109.7	64%	0.642	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-65.4	121.1	165.5	-85.6	-171.9	-169	156	10.4	108.6	E197	E197-R236 IonicContact OE2-NH2 3.78Å
237	V	25.3	Very low	29.3	Very low	131 Å²	131	110.8 Å²	110.8	79%	0.794	57%	0.571	S	S	*	*			trans	-85.5	115.5	152	-179	0	0	0	0	105.7	K235 G239	K235-V237 PolarHBondContact O-N 2.81Å; V237-G239 PolarHBondContact O-N 2.92Å; V237-G239 VanDerWaalsContact O-N 3.17Å
238	F	25.6	Very low	28.1	Very low	195 Å²	195	117.5 Å²	117.5	86%	0.855	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	117.1	172.3	-87.3	-92.7	0	0	0	108.4
239	G	29.4	Very low	27.4	Very low	81 Å²	81	115.9 Å²	115.9	84%	0.835	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.1	-17.8	171.4	0	0	0	0	0	117.3	V237	V237-G239 PolarHBondContact O-N 2.92Å; V237-G239 VanDerWaalsContact O-N 3.17Å
240	A	25.6	Very low	26.5	Very low	66 Å²	66	119.3 Å²	119.3	55%	0.545	62%	0.62	S	S	.	*			trans	-99.6	123	-178.1	0	0	0	0	0	112.4	N242 I244	A240-N242 VanDerWaalsContact C-N 3.25Å; A240-N242 PolarHBondContact O-N 2.95Å; A240-I244 HydrophobicContact CB-CD1 4.34Å
241	K	26.4	Very low	26	Very low	215 Å²	215	117.8 Å²	117.8	94%	0.935	62%	0.615	S	S	*	*	S	Bend	trans	-76.6	4.1	177.5	-90.5	-177.3	176.4	179	0	115
242	N	23.6	Very low	25.4	Very low	129 Å²	129	121.3 Å²	121.3	69%	0.69	63%	0.627	S	S	*	*	S	Bend	trans	-124	141.1	-179.9	-76.7	-24.4	0	0	0	111	A240 I244	A240-N242 VanDerWaalsContact C-N 3.25Å; A240-N242 PolarHBondContact O-N 2.95Å; N242-I244 PolarHBondContact O-N 2.91Å
243	P	25.8	Very low	25.4	Very low	93 Å²	93	115.9 Å²	115.9	60%	0.604	60%	0.601	S	S	*	*			trans	-66.4	108.6	172	27.1	-30.3	0	0	0	109	Y245	P243-Y245 HydrophobicContact CB-CE2 4.23Å; P243-Y245 HydrophobicContact CG-CE2 4.06Å; P243-Y245 WeakPolarHBondContact O-CD2 3.26Å; P243-Y245 PolarHBondContact O-N 2.74Å
244	I	23.5	Very low	25.4	Very low	127 Å²	127	109.4 Å²	109.4	65%	0.651	57%	0.572	S	S	*	*			trans	-73.2	111.8	168.7	-61.5	172.5	0	0	0	106.9	A240 N242	A240-I244 HydrophobicContact CB-CD1 4.34Å; N242-I244 PolarHBondContact O-N 2.91Å
245	Y	25.4	Very low	25.6	Very low	158 Å²	158	105.8 Å²	105.8	62%	0.62	55%	0.549	S	S	*	.			trans	-84.8	108	167.5	-62.4	-85	0	0	0	107.8	P113 P243	P113-Y245 HydrophobicContact CG-CE1 4.22Å; P243-Y245 HydrophobicContact CB-CE2 4.23Å; P243-Y245 HydrophobicContact CG-CE2 4.06Å; P243-Y245 WeakPolarHBondContact O-CD2 3.26Å; P243-Y245 PolarHBondContact O-N 2.74Å
246	A	23.3	Very low	25.9	Very low	64 Å²	64	100.3 Å²	100.3	53%	0.529	53%	0.529	S	S	.	.			trans	-99.3	110.8	171.3	0	0	0	0	0	108.7
247	L	23.2	Very low	26.2	Very low	106 Å²	106	96 Å²	96	56%	0.555	53%	0.525	S	S	*	.			trans	-111.1	106.1	174.2	-170.6	92.2	0	0	0	107.2
248	L	21.7	Very low	26.6	Very low	149 Å²	149	99.8 Å²	99.8	78%	0.78	53%	0.531	S	S	*	.			trans	179	115.2	157.3	-131.6	90	0	0	0	107.7
249	V	25.4	Very low	26.6	Very low	55 Å²	55	95 Å²	95	33%	0.333	51%	0.514	S	S	.	.			trans	-152.3	120.4	131.6	-173.4	0	0	0	0	109.9	L186 Q230 H232	L186-V249 VanDerWaalsContact CD2-O 3.25Å; L186-V249 WeakPolarHBondContact CD2-O 3.49Å; Q230-V249 VanDerWaalsContact OE1-CB 3.31Å; H232-V249 WeakPolarHBondContact CD2-CG2 3.25Å; H232-V249 WeakPolarHBondContact NE2-CG2 2.88Å
250	M	23	Very low	26.5	Very low	101 Å²	101	95.7 Å²	95.7	50%	0.498	50%	0.498	S	S	.	.			trans	-71.9	133.1	169.5	-63.8	-124.3	-81.5	0	0	110.5	F120	F120-M250 HydrophobicContact CE2-SD 4.42Å; F120-M250 HydrophobicContact CZ-SD 3.68Å
251	T	25.4	Very low	26.5	Very low	28 Å²	28	97.4 Å²	97.4	17%	0.172	50%	0.495	C	S	.	.			trans	-151.6	108.9	156.5	-27	0	0	0	0	114.3	K228 Q230	K228-T251 HydrophobicContact CD-CG2 3.34Å; Q230-T251 PolarHBondContact NE2-OG1 3.19Å; Q230-T251 VanDerWaalsContact NE2-OG1 3.15Å; Q230-T251 PolarHBondContact OE1-OG1 3.22Å
252	R	25.4	Very low	26.5	Very low	124 Å²	124	90.5 Å²	90.5	47%	0.468	47%	0.469	S	S	.	.			trans	20	113.2	151.7	-110.1	177.2	-179.8	171.8	2.9	118.7	D181 H226 I254	D181-R252 IonicContact OD1-NE 3.38Å; D181-R252 PolarHBondContact OD1-NE 3.05Å; D181-R252 IonicContact OD1-NH2 3.79Å; D181-R252 IonicContact OD2-NH2 3.77Å; H226-R252 WeakPolarHBondContact CB-O 3.02Å; R252-I254 HydrophobicContact CG-CG1 4.48Å
253	I	30.6	Very low	26.7	Very low	0 Å²	0	88.1 Å²	88.1	0%	0	46%	0.455	C	S	.	.			trans	-92.4	147.9	143.8	-58.7	-157	0	0	0	107.5	V183 S185 L224 H226 V227	V183-I253 WeakPolarHBondContact O-CB 3.35Å; S185-I253 VanDerWaalsContact OG-CD1 3.28Å; S185-I253 WeakPolarHBondContact OG-CD1 3.12Å; L224-I253 HydrophobicContact CB-CG2 4.3Å; L224-I253 HydrophobicContact CD2-CG2 3.3Å; L224-I253 HydrophobicContact CG-CG2 4.38Å; H226-I253 WeakPolarHBondContact O-CA 3.36Å; H226-I253 VanDerWaalsContact O-CB 3.28Å; H226-I253 WeakPolarHBondContact O-CB 3.03Å; H226-I253 WeakPolarHBondContact O-CG1 3.34Å; H226-I253 WeakPolarHBondContact O-CG2 3.27Å; V227-I253 HydrophobicContact CG2-CD1 3.91Å
254	I	28	Very low	26.8	Very low	23 Å²	23	87.7 Å²	87.7	12%	0.118	45%	0.445	C	S	.	.			trans	-119.7	109.2	177.4	-63.3	-178.9	0	0	0	107	K180 R223 T225 H226 R252	K180-I254 HydrophobicContact CD-CB 4.35Å; K180-I254 HydrophobicContact CD-CG1 4.41Å; K180-I254 HydrophobicContact CD-CG2 3.71Å; K180-I254 HydrophobicContact CG-CB 4.07Å; K180-I254 HydrophobicContact CG-CG1 4.29Å; K180-I254 HydrophobicContact CG-CG2 3.82Å; R223-I254 VanDerWaalsContact O-O 3.14Å; T225-I254 PolarHBondContact N-O 3.46Å; T225-I254 WeakPolarHBondContact OG1-CB 3.33Å; T225-I254 WeakPolarHBondContact OG1-CG2 3.42Å; T225-I254 PolarHBondContact OG1-O 3.29Å; H226-I254 HydrophobicContact CB-CG1 4.38Å; R252-I254 HydrophobicContact CG-CG1 4.48Å
255	M	32	Very low	27	Very low	10 Å²	10	84.9 Å²	84.9	5%	0.049	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.1	169.6	-77.3	-180	127.6	0	0	109.7	V174 F178 V183 I222 R223 L224	V174-M255 HydrophobicContact CG1-CE 3.67Å; F178-M255 HydrophobicContact CB-SD 4.49Å; V183-M255 HydrophobicContact CB-CE 4.48Å; V183-M255 HydrophobicContact CB-SD 3.79Å; V183-M255 HydrophobicContact CG2-CE 4.06Å; V183-M255 HydrophobicContact CG2-SD 3.47Å; V183-M255 WeakPolarHBondContact CG2-SD 3.38Å; I222-M255 HydrophobicContact CB-CE 4.24Å; I222-M255 HydrophobicContact CG2-CB 3.46Å; I222-M255 VanDerWaalsContact CG2-CB 3.46Å; I222-M255 HydrophobicContact CG2-CE 3.58Å; I222-M255 HydrophobicContact CG2-CG 3.56Å; I222-M255 HydrophobicContact CG2-SD 3.9Å; R223-M255 WeakPolarHBondContact O-CA 3.47Å; L224-M255 HydrophobicContact CD2-CE 3.64Å; L224-M255 HydrophobicContact CD2-CG 3.64Å; L224-M255 HydrophobicContact CD2-SD 4.15Å; L224-M255 HydrophobicContact CG-CE 4.32Å
256	N	30.6	Very low	27.1	Very low	81 Å²	81	79.3 Å²	79.3	43%	0.433	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.1	168.3	-76.8	-9.8	0	0	0	108.7	R223 T225	R223-N256 PolarHBondContact N-O 3.34Å; R223-N256 PolarHBondContact O-N 3.2Å; T225-N256 HydrophobicContact CG2-CB 4.45Å
257	S	31.2	Very low	27.5	Very low	81 Å²	81	80.6 Å²	80.6	57%	0.566	41%	0.407	S	S	*	.			trans	-73.2	138.7	160.8	-176.4	0	0	0	0	108.7
258	K	33.2	Very low	27.8	Very low	209 Å²	209	78.3 Å²	78.3	91%	0.909	39%	0.393	S	S	*	.			trans	-73.2	0	156.3	-83.3	-171.4	178	-178.1	0	109.8	D46	D46-K258 IonicContact OD1-NZ 3.31Å; D46-K258 PolarHBondContact OD1-NZ 3.33Å

Retrieved 258 of 258 residues in 292.6 ms (Link to these results)

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