A0AA82N7Z4_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7Z4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 388 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	41.9	Very low	49.4	Very low	238 Å²	238	144.8 Å²	144.8	100%	1.172	69%	0.69	S	S	*	*				0	103.8	0	-78.8	177	177.6	0	0	107.4
2	R	44.3	Very low	50.2	Low	250 Å²	250	137.9 Å²	137.9	94%	0.943	67%	0.669	S	S	*	*			trans	-80.7	118.9	177.3	-80.9	-177.7	169.3	-179.4	-4.2	108.7	I4	R2-I4 PolarHBondContact O-N 3.15Å
3	Y	49.9	Very low	51	Low	226 Å²	226	132.5 Å²	132.5	89%	0.886	65%	0.649	S	S	*	*			trans	-62.9	114.7	165.7	-85.4	-103.5	0	0	0	107.4	A5	Y3-A5 PolarHBondContact O-N 3.21Å
4	I	47.7	Very low	51.6	Low	147 Å²	147	134.2 Å²	134.2	75%	0.754	65%	0.646	S	S	*	*			trans	-73.9	107.7	160.7	-62.2	172.5	0	0	0	104	R2 L6	R2-I4 PolarHBondContact O-N 3.15Å; I4-L6 PolarHBondContact O-N 3.29Å
5	A	48.8	Very low	52	Low	48 Å²	48	131.9 Å²	131.9	40%	0.397	64%	0.638	S	S	.	*			trans	-62.3	134.1	-176	0	0	0	0	0	108.9	Y3 S7 D8	Y3-A5 PolarHBondContact O-N 3.21Å; A5-S7 VanDerWaalsContact CB-OG 3.25Å; A5-S7 WeakPolarHBondContact CB-OG 3.39Å; A5-S7 PolarHBondContact O-N 3.31Å; A5-D8 PolarHBondContact O-N 3.49Å
6	L	50.3	Low	52.4	Low	136 Å²	136	128.8 Å²	128.8	71%	0.712	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-14.3	172.7	-85.7	128.8	0	0	0	112.6	I4 D8	I4-L6 PolarHBondContact O-N 3.29Å; L6-D8 VanDerWaalsContact C-N 3.35Å; L6-D8 PolarHBondContact O-N 3.13Å
7	S	52.4	Low	52.6	Low	61 Å²	61	129.7 Å²	129.7	43%	0.427	63%	0.625	S	S	.	*	H	α-helix	trans	-58.8	-38.8	175.4	54.7	0	0	0	0	113.7	A5 L9 W10 I11	A5-S7 VanDerWaalsContact CB-OG 3.25Å; A5-S7 WeakPolarHBondContact CB-OG 3.39Å; A5-S7 PolarHBondContact O-N 3.31Å; S7-L9 VanDerWaalsContact C-N 3.3Å; S7-L9 PolarHBondContact O-N 3.33Å; S7-W10 PolarHBondContact O-N 3.2Å; S7-W10 VanDerWaalsContact O-N 3.1Å; S7-I11 WeakPolarHBondContact O-CG1 3.34Å; S7-I11 PolarHBondContact O-N 2.88Å; S7-I11 VanDerWaalsContact O-N 3.16Å
8	D	51.1	Low	52.7	Low	96 Å²	96	126.2 Å²	126.2	51%	0.513	61%	0.613	S	S	.	*	H	α-helix	trans	-73.3	-28.3	-171.1	-60.9	-11.6	0	0	0	111.7	A5 L6 S12	A5-D8 PolarHBondContact O-N 3.49Å; L6-D8 VanDerWaalsContact C-N 3.35Å; L6-D8 PolarHBondContact O-N 3.13Å; D8-S12 PolarHBondContact O-N 3Å
9	L	51	Low	52.5	Low	116 Å²	116	125.2 Å²	125.2	61%	0.607	61%	0.61	S	S	*	*	H	α-helix	trans	-69.7	-35	171.5	-96.6	145	0	0	0	112.1	S7 V13	S7-L9 VanDerWaalsContact C-N 3.3Å; S7-L9 PolarHBondContact O-N 3.33Å; L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.24Å; L9-V13 PolarHBondContact O-N 2.85Å; L9-V13 VanDerWaalsContact O-N 3.14Å
10	W	49.5	Very low	52.2	Low	174 Å²	174	125.8 Å²	125.8	66%	0.659	61%	0.609	S	S	*	*	H	α-helix	trans	-71.6	-36.4	178.7	-81.8	67.1	0	0	0	112.2	S7 V13 Y14	S7-W10 PolarHBondContact O-N 3.2Å; S7-W10 VanDerWaalsContact O-N 3.1Å; W10-V13 PolarHBondContact O-N 2.9Å; W10-Y14 HydrophobicContact CE3-CE2 4.46Å; W10-Y14 WeakPolarHBondContact O-CB 3.37Å; W10-Y14 PolarHBondContact O-N 3.42Å
11	I	56.2	Low	51.9	Low	101 Å²	101	123.4 Å²	123.4	52%	0.518	61%	0.606	S	S	.	*	H	α-helix	trans	-65.1	-44.4	176.5	-62.9	166.5	0	0	0	110.4	S7 V13 Y14 L15	S7-I11 WeakPolarHBondContact O-CG1 3.34Å; S7-I11 PolarHBondContact O-N 2.88Å; S7-I11 VanDerWaalsContact O-N 3.16Å; I11-V13 PolarHBondContact O-N 3.01Å; I11-Y14 PolarHBondContact O-N 2.66Å; I11-L15 HydrophobicContact CG2-CD1 4.05Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 2.93Å
12	S	59.6	Low	51.7	Low	62 Å²	62	121 Å²	121	43%	0.434	59%	0.589	S	S	.	*	H	α-helix	trans	-60.4	-44.5	176.4	-177	0	0	0	0	111.9	D8 L15 I16	D8-S12 PolarHBondContact O-N 3Å; S12-L15 PolarHBondContact O-N 2.7Å; S12-I16 WeakPolarHBondContact O-CB 3.36Å; S12-I16 WeakPolarHBondContact O-CD1 3.02Å; S12-I16 VanDerWaalsContact O-CG1 3.22Å; S12-I16 WeakPolarHBondContact O-CG1 3.18Å; S12-I16 PolarHBondContact O-N 2.99Å
13	V	60.5	Low	51.5	Low	68 Å²	68	116.7 Å²	116.7	41%	0.412	58%	0.577	S	S	.	*	H	α-helix	trans	-64.9	-42.5	176.8	173	0	0	0	0	111.2	L9 W10 I11 L15 I16 F17	L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.24Å; L9-V13 PolarHBondContact O-N 2.85Å; L9-V13 VanDerWaalsContact O-N 3.14Å; W10-V13 PolarHBondContact O-N 2.9Å; I11-V13 PolarHBondContact O-N 3.01Å; V13-L15 PolarHBondContact O-N 2.87Å; V13-I16 PolarHBondContact O-N 3.2Å; V13-F17 HydrophobicContact CG1-CD2 3.57Å; V13-F17 HydrophobicContact CG1-CE2 3.64Å; V13-F17 VanDerWaalsContact O-CD2 3.29Å; V13-F17 WeakPolarHBondContact O-CD2 3.13Å; V13-F17 PolarHBondContact O-N 2.85Å
14	Y	59.3	Low	51.1	Low	156 Å²	156	110.3 Å²	110.3	61%	0.612	57%	0.565	S	S	*	*	H	α-helix	trans	-63.3	-40.4	175.7	-107.2	-86.2	0	0	0	113	W10 I11 I16 F17 T18	W10-Y14 HydrophobicContact CE3-CE2 4.46Å; W10-Y14 WeakPolarHBondContact O-CB 3.37Å; W10-Y14 PolarHBondContact O-N 3.42Å; I11-Y14 PolarHBondContact O-N 2.66Å; Y14-I16 VanDerWaalsContact C-N 3.35Å; Y14-F17 PolarHBondContact O-N 3.23Å; Y14-T18 WeakPolarHBondContact O-CB 3.47Å; Y14-T18 VanDerWaalsContact O-CG2 3.28Å; Y14-T18 WeakPolarHBondContact O-CG2 3.5Å; Y14-T18 PolarHBondContact O-N 3.37Å; Y14-T18 PolarHBondContact O-OG1 3.06Å
15	L	57.1	Low	51.2	Low	99 Å²	99	111.1 Å²	111.1	52%	0.518	56%	0.56	S	S	.	*	H	α-helix	trans	-64.2	-41.3	175.2	-77.7	168.4	0	0	0	111.3	I11 S12 V13 T18 L19	I11-L15 HydrophobicContact CG2-CD1 4.05Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 2.93Å; S12-L15 PolarHBondContact O-N 2.7Å; V13-L15 PolarHBondContact O-N 2.87Å; L15-T18 WeakPolarHBondContact CA-OG1 3.25Å; L15-T18 PolarHBondContact O-N 3.28Å; L15-T18 PolarHBondContact O-OG1 2.85Å; L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 PolarHBondContact O-N 2.79Å
16	I	58.5	Low	51.5	Low	82 Å²	82	112.6 Å²	112.6	42%	0.421	57%	0.567	S	S	.	*	H	α-helix	trans	-63.5	-46.5	174.6	-69	166	0	0	0	110.5	S12 V13 Y14 T18 L19 F20	S12-I16 WeakPolarHBondContact O-CB 3.36Å; S12-I16 WeakPolarHBondContact O-CD1 3.02Å; S12-I16 VanDerWaalsContact O-CG1 3.22Å; S12-I16 WeakPolarHBondContact O-CG1 3.18Å; S12-I16 PolarHBondContact O-N 2.99Å; V13-I16 PolarHBondContact O-N 3.2Å; Y14-I16 VanDerWaalsContact C-N 3.35Å; I16-T18 VanDerWaalsContact C-N 3.34Å; I16-T18 PolarHBondContact O-N 2.95Å; I16-L19 PolarHBondContact O-N 3.05Å; I16-F20 HydrophobicContact CG2-CD2 3.48Å; I16-F20 VanDerWaalsContact CG2-CD2 3.48Å; I16-F20 HydrophobicContact CG2-CE2 3.44Å; I16-F20 VanDerWaalsContact CG2-CE2 3.44Å; I16-F20 WeakPolarHBondContact O-CB 3.37Å; I16-F20 WeakPolarHBondContact O-CD2 3.27Å; I16-F20 PolarHBondContact O-N 2.83Å
17	F	56.1	Low	52.4	Low	145 Å²	145	108 Å²	108	64%	0.636	54%	0.542	S	S	*	.	H	α-helix	trans	-64.2	-35.3	177.4	-91.4	-77.9	0	0	0	113.2	V13 Y14 S21	V13-F17 HydrophobicContact CG1-CD2 3.57Å; V13-F17 HydrophobicContact CG1-CE2 3.64Å; V13-F17 VanDerWaalsContact O-CD2 3.29Å; V13-F17 WeakPolarHBondContact O-CD2 3.13Å; V13-F17 PolarHBondContact O-N 2.85Å; Y14-F17 PolarHBondContact O-N 3.23Å; F17-S21 VanDerWaalsContact O-CB 3.31Å; F17-S21 WeakPolarHBondContact O-CB 3.37Å; F17-S21 PolarHBondContact O-N 2.81Å; F17-S21 PolarHBondContact O-OG 2.85Å
18	T	54.5	Low	53.5	Low	67 Å²	67	108.7 Å²	108.7	41%	0.411	54%	0.54	S	S	.	.	H	α-helix	trans	-75.2	-32.2	176.3	52.2	0	0	0	0	112.6	Y14 L15 I16 S21 K22	Y14-T18 WeakPolarHBondContact O-CB 3.47Å; Y14-T18 VanDerWaalsContact O-CG2 3.28Å; Y14-T18 WeakPolarHBondContact O-CG2 3.5Å; Y14-T18 PolarHBondContact O-N 3.37Å; Y14-T18 PolarHBondContact O-OG1 3.06Å; L15-T18 WeakPolarHBondContact CA-OG1 3.25Å; L15-T18 PolarHBondContact O-N 3.28Å; L15-T18 PolarHBondContact O-OG1 2.85Å; I16-T18 VanDerWaalsContact C-N 3.34Å; I16-T18 PolarHBondContact O-N 2.95Å; T18-S21 WeakPolarHBondContact CA-OG 3.45Å; T18-S21 PolarHBondContact O-OG 2.79Å; T18-S21 VanDerWaalsContact O-OG 3.08Å; T18-K22 WeakPolarHBondContact O-CB 3.48Å; T18-K22 PolarHBondContact O-N 3.38Å
19	L	49.3	Very low	55	Low	106 Å²	106	104.1 Å²	104.1	56%	0.555	52%	0.516	S	S	*	.	H	α-helix	trans	-67.3	-44.2	169.3	-98.2	144.8	0	0	0	111.6	L15 I16 K22 F23	L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 PolarHBondContact O-N 2.79Å; I16-L19 PolarHBondContact O-N 3.05Å; L19-K22 PolarHBondContact O-N 2.88Å; L19-F23 PolarHBondContact O-N 2.8Å; L19-F23 VanDerWaalsContact O-N 3.08Å
20	F	46.6	Very low	56.5	Low	137 Å²	137	99.8 Å²	99.8	60%	0.601	50%	0.495	S	S	*	.	H	α-helix	trans	-65.7	-42	175	-83	-68.1	0	0	0	111.6	I16 K22 F23 S24	I16-F20 HydrophobicContact CG2-CD2 3.48Å; I16-F20 VanDerWaalsContact CG2-CD2 3.48Å; I16-F20 HydrophobicContact CG2-CE2 3.44Å; I16-F20 VanDerWaalsContact CG2-CE2 3.44Å; I16-F20 WeakPolarHBondContact O-CB 3.37Å; I16-F20 WeakPolarHBondContact O-CD2 3.27Å; I16-F20 PolarHBondContact O-N 2.83Å; F20-K22 VanDerWaalsContact C-N 3.32Å; F20-K22 PolarHBondContact O-N 2.85Å; F20-F23 CarbonylContact O-C 3.58Å; F20-F23 WeakPolarHBondContact O-CA 3.35Å; F20-F23 PolarHBondContact O-N 2.88Å; F20-S24 WeakPolarHBondContact O-CB 3.49Å; F20-S24 PolarHBondContact O-N 2.84Å; F20-S24 PolarHBondContact O-OG 3.47Å
21	S	44.2	Very low	57.9	Low	76 Å²	76	97.4 Å²	97.4	53%	0.531	49%	0.491	S	S	.	.	H	α-helix	trans	-65.8	-33.9	177.9	70.7	0	0	0	0	112.8	F17 T18 F23 S24	F17-S21 VanDerWaalsContact O-CB 3.31Å; F17-S21 WeakPolarHBondContact O-CB 3.37Å; F17-S21 PolarHBondContact O-N 2.81Å; F17-S21 PolarHBondContact O-OG 2.85Å; T18-S21 WeakPolarHBondContact CA-OG 3.45Å; T18-S21 PolarHBondContact O-OG 2.79Å; T18-S21 VanDerWaalsContact O-OG 3.08Å; S21-F23 VanDerWaalsContact C-N 3.33Å; S21-S24 PolarHBondContact O-N 2.83Å
22	K	39.5	Very low	58.9	Low	188 Å²	188	97.1 Å²	97.1	82%	0.817	49%	0.488	S	S	*	.	H	α-helix	trans	-67.6	-29.8	170.2	-92.8	-177.3	172.9	178.2	0	113.3	T18 L19 F20	T18-K22 WeakPolarHBondContact O-CB 3.48Å; T18-K22 PolarHBondContact O-N 3.38Å; L19-K22 PolarHBondContact O-N 2.88Å; F20-K22 VanDerWaalsContact C-N 3.32Å; F20-K22 PolarHBondContact O-N 2.85Å
23	F	39.6	Very low	59.6	Low	160 Å²	160	97.1 Å²	97.1	70%	0.702	49%	0.487	S	S	*	.	H	α-helix	trans	-82.6	-16.6	174.4	-99.7	-86.5	0	0	0	113.9	L19 F20 S21 Y25	L19-F23 PolarHBondContact O-N 2.8Å; L19-F23 VanDerWaalsContact O-N 3.08Å; F20-F23 CarbonylContact O-C 3.58Å; F20-F23 WeakPolarHBondContact O-CA 3.35Å; F20-F23 PolarHBondContact O-N 2.88Å; S21-F23 VanDerWaalsContact C-N 3.33Å; F23-Y25 PolarHBondContact O-N 2.73Å
24	S	40.5	Very low	60.5	Low	91 Å²	91	98.5 Å²	98.5	64%	0.636	50%	0.495	S	S	*	.			trans	-85.5	1.4	-172.3	-66	0	0	0	0	116.2	F20 S21 C26	F20-S24 WeakPolarHBondContact O-CB 3.49Å; F20-S24 PolarHBondContact O-N 2.84Å; F20-S24 PolarHBondContact O-OG 3.47Å; S21-S24 PolarHBondContact O-N 2.83Å; S24-C26 PolarHBondContact O-N 2.73Å
25	Y	49.9	Very low	61.7	Low	165 Å²	165	92.2 Å²	92.2	65%	0.647	47%	0.47	S	S	*	.			trans	-89.2	44.2	171.7	-133.1	-86.2	0	0	0	112.4	F23 Q27 G92	F23-Y25 PolarHBondContact O-N 2.73Å; Y25-Q27 HydrophobicContact CD1-CG 4.26Å; Y25-Q27 HydrophobicContact CE1-CG 4.5Å; Y25-Q27 PolarHBondContact O-N 2.76Å; Y25-Q27 VanDerWaalsContact O-N 3.13Å; Y25-G92 PolarHBondContact OH-O 3.49Å
26	C	56.6	Low	63.1	Low	79 Å²	79	90.5 Å²	90.5	53%	0.534	46%	0.459	S	S	.	.			trans	-65.9	110.5	163.1	-93.7	0	0	0	0	107.7	S24 D28	S24-C26 PolarHBondContact O-N 2.73Å; C26-D28 PolarHBondContact O-N 3.12Å
27	Q	67.7	Low	64.5	Low	40 Å²	40	95.3 Å²	95.3	19%	0.187	48%	0.477	C	S	.	.			trans	-68.5	123.2	176.8	-66.2	164.9	-10.4	0	0	109.1	Y25 I29 C30 F189	Y25-Q27 HydrophobicContact CD1-CG 4.26Å; Y25-Q27 HydrophobicContact CE1-CG 4.5Å; Y25-Q27 PolarHBondContact O-N 2.76Å; Y25-Q27 VanDerWaalsContact O-N 3.13Å; Q27-I29 HydrophobicContact CB-CG2 4.15Å; Q27-I29 PolarHBondContact O-N 3.49Å; Q27-C30 WeakPolarHBondContact O-CA 3.25Å; Q27-C30 VanDerWaalsContact O-CB 3.29Å; Q27-C30 WeakPolarHBondContact O-CB 3.45Å; Q27-C30 PolarHBondContact O-N 3.16Å; Q27-F189 HydrophobicContact CG-CD1 4.46Å; Q27-F189 VanDerWaalsContact OE1-CD1 3.25Å
28	D	75.2	Confident	66	Low	74 Å²	74	90.6 Å²	90.6	40%	0.396	46%	0.456	S	S	.	.	H	α-helix	trans	-52.2	-35.7	-176.3	-46.2	-43.6	0	0	0	112.7	C26 C30 Q31 Q32 K55	C26-D28 PolarHBondContact O-N 3.12Å; D28-C30 VanDerWaalsContact C-N 3.29Å; D28-C30 PolarHBondContact O-N 3.04Å; D28-Q31 PolarHBondContact O-N 3.12Å; D28-Q31 VanDerWaalsContact O-N 3.11Å; D28-Q32 PolarHBondContact O-N 2.88Å; D28-K55 IonicContact OD2-NZ 3.35Å
29	I	83.4	Confident	67.7	Low	0 Å²	0	92 Å²	92	0%	0	46%	0.458	C	S	.	.	H	α-helix	trans	-63.7	-30.2	177.1	-169.1	160.3	0	0	0	113.4	Q27 Q31 Q32 W35 Y54 F189 R193 I200 P202	Q27-I29 HydrophobicContact CB-CG2 4.15Å; Q27-I29 PolarHBondContact O-N 3.49Å; I29-Q31 VanDerWaalsContact C-N 3.34Å; I29-Q32 CarbonylContact O-C 3.52Å; I29-W35 HydrophobicContact CB-CB 4.32Å; I29-W35 HydrophobicContact CD1-CB 4.3Å; I29-W35 HydrophobicContact CG1-CB 4.01Å; I29-Y54 HydrophobicContact CB-CE1 3.89Å; I29-Y54 HydrophobicContact CB-CE2 4.14Å; I29-Y54 HydrophobicContact CD1-CD1 3.74Å; I29-Y54 HydrophobicContact CD1-CE1 3.75Å; I29-Y54 HydrophobicContact CD1-CG 4.24Å; I29-Y54 HydrophobicContact CG1-CE1 4.41Å; I29-Y54 HydrophobicContact CG2-CE1 4.09Å; I29-F189 HydrophobicContact CD1-CD2 4.2Å; I29-F189 HydrophobicContact CD1-CE2 4.31Å; I29-F189 HydrophobicContact CG2-CB 4.21Å; I29-F189 HydrophobicContact CG2-CD1 3.93Å; I29-F189 HydrophobicContact CG2-CD2 4.12Å; I29-F189 HydrophobicContact CG2-CE1 4.23Å; I29-F189 HydrophobicContact CG2-CE2 4.44Å; I29-F189 HydrophobicContact CG2-CG 3.82Å; I29-F189 HydrophobicContact CG2-CZ 4.44Å; I29-R193 PolarHBondContact O-NH2 2.93Å; I29-I200 HydrophobicContact CD1-CG2 3.71Å; I29-I200 HydrophobicContact CG1-CB 4.47Å; I29-I200 HydrophobicContact CG1-CD1 4.32Å; I29-I200 HydrophobicContact CG1-CG2 3.75Å; I29-I200 VanDerWaalsContact O-CD1 3.32Å; I29-I200 WeakPolarHBondContact O-CD1 3.24Å; I29-P202 HydrophobicContact CD1-CB 4.11Å; I29-P202 HydrophobicContact CD1-CG 3.73Å
30	C	83.8	Confident	69.5	Low	25 Å²	25	90.2 Å²	90.2	17%	0.169	45%	0.445	C	S	.	.	H	α-helix	trans	-69.9	-34.2	174.8	-64.5	0	0	0	0	111.5	Q27 D28 C191 R193	Q27-C30 WeakPolarHBondContact O-CA 3.25Å; Q27-C30 VanDerWaalsContact O-CB 3.29Å; Q27-C30 WeakPolarHBondContact O-CB 3.45Å; Q27-C30 PolarHBondContact O-N 3.16Å; D28-C30 VanDerWaalsContact C-N 3.29Å; D28-C30 PolarHBondContact O-N 3.04Å; C30-C191 WeakPolarHBondContact CA-SG 3.43Å; C30-C191 HydrophobicContact CB-CB 3.6Å; C30-C191 WeakPolarHBondContact CB-SG 3.47Å; C30-C191 VanDerWaalsContact SG-CA 3.57Å; C30-C191 WeakPolarHBondContact SG-CB 3.43Å; C30-C191 CovalentContact SG-SG 2.03Å; C30-C191 PolarHBondContact SG-SG 2.82Å; C30-R193 PolarHBondContact O-NE 2.78Å; C30-R193 VanDerWaalsContact O-NE 3.09Å; C30-R193 PolarHBondContact O-NH2 2.97Å
31	Q	78.9	Confident	71.6	Confident	124 Å²	124	86.8 Å²	86.8	58%	0.579	44%	0.435	S	S	*	.	H	α-helix	trans	-77.4	-41.5	177.6	-61.7	-175.5	-6.8	0	0	111.9	D28 I29 P33	D28-Q31 PolarHBondContact O-N 3.12Å; D28-Q31 VanDerWaalsContact O-N 3.11Å; I29-Q31 VanDerWaalsContact C-N 3.34Å; Q31-P33 WeakPolarHBondContact O-CD 3.18Å
32	Q	76.5	Confident	73.7	Confident	95 Å²	95	84 Å²	84	44%	0.444	41%	0.414	S	S	.	.			trans	-122	93.6	-175.6	-66	-178	15.5	0	0	110.5	D28 I29 V34 W35	D28-Q32 PolarHBondContact O-N 2.88Å; I29-Q32 CarbonylContact O-C 3.52Å; Q32-V34 HydrophobicContact CB-CG1 4.28Å; Q32-V34 PolarHBondContact O-N 2.63Å; Q32-W35 VanDerWaalsContact CB-CD1 3.5Å; Q32-W35 PolarHBondContact O-N 2.72Å
33	P	73.6	Confident	76	Confident	63 Å²	63	76.6 Å²	76.6	41%	0.409	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-61.8	-14.7	-179	10.7	-16.3	0	0	0	114.6	Q31 W35 E36 R193	Q31-P33 WeakPolarHBondContact O-CD 3.18Å; P33-W35 PolarHBondContact O-N 2.78Å; P33-W35 VanDerWaalsContact O-N 3.15Å; P33-E36 WeakPolarHBondContact O-CB 3.43Å; P33-E36 PolarHBondContact O-N 3.4Å; P33-E36 VanDerWaalsContact O-N 3.09Å; P33-R193 VanDerWaalsContact CB-NH2 3.34Å; P33-R193 VanDerWaalsContact CD-NH2 3.29Å
34	V	80.1	Confident	78.6	Confident	96 Å²	96	73 Å²	73	58%	0.582	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30.4	175.3	73.3	0	0	0	0	112.2	Q32 E36 K37 Y38	Q32-V34 HydrophobicContact CB-CG1 4.28Å; Q32-V34 PolarHBondContact O-N 2.63Å; V34-E36 PolarHBondContact O-N 3.23Å; V34-K37 PolarHBondContact O-N 2.87Å; V34-Y38 PolarHBondContact O-N 2.85Å
35	W	83.4	Confident	81.1	Confident	24 Å²	24	72.6 Å²	72.6	9%	0.091	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-65.9	-23.2	179.9	-66	123.7	0	0	0	114	I29 Q32 P33 K37 Y38 Y54 I224	I29-W35 HydrophobicContact CB-CB 4.32Å; I29-W35 HydrophobicContact CD1-CB 4.3Å; I29-W35 HydrophobicContact CG1-CB 4.01Å; Q32-W35 VanDerWaalsContact CB-CD1 3.5Å; Q32-W35 PolarHBondContact O-N 2.72Å; P33-W35 PolarHBondContact O-N 2.78Å; P33-W35 VanDerWaalsContact O-N 3.15Å; W35-K37 PolarHBondContact O-N 2.84Å; W35-Y38 HydrophobicContact CE3-CD1 4.04Å; W35-Y38 AromaticContact CE3-CD2 3.95Å; W35-Y38 HydrophobicContact CE3-CD2 3.95Å; W35-Y38 AromaticContact CE3-CG 3.65Å; W35-Y38 HydrophobicContact CE3-CG 3.65Å; W35-Y38 AromaticContact CZ3-CD1 3.92Å; W35-Y38 HydrophobicContact CZ3-CD1 3.92Å; W35-Y38 AromaticContact CZ3-CD2 3.63Å; W35-Y38 HydrophobicContact CZ3-CD2 3.63Å; W35-Y38 HydrophobicContact CZ3-CE1 4.11Å; W35-Y38 AromaticContact CZ3-CE2 3.83Å; W35-Y38 HydrophobicContact CZ3-CE2 3.83Å; W35-Y38 AromaticContact CZ3-CG 3.68Å; W35-Y38 HydrophobicContact CZ3-CG 3.68Å; W35-Y38 PolarHBondContact O-N 3.36Å; W35-Y54 HydrophobicContact CB-CD2 3.59Å; W35-Y54 HydrophobicContact CB-CE2 4Å; W35-Y54 HydrophobicContact CB-CG 4.16Å; W35-Y54 HydrophobicContact CD2-CD2 4.19Å; W35-Y54 HydrophobicContact CE3-CD2 4.28Å; W35-Y54 AromaticContact CG-CD2 3.91Å; W35-Y54 HydrophobicContact CG-CD2 3.91Å; W35-Y54 HydrophobicContact CG-CE2 4.1Å; W35-Y54 WeakPolarHBondContact O-CB 3.47Å; W35-I224 HydrophobicContact CH2-CG2 4.16Å; W35-I224 HydrophobicContact CZ3-CG2 4.4Å
36	E	86.9	Confident	83.2	Confident	64 Å²	64	72.3 Å²	72.3	30%	0.299	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-59.6	-38.4	177.4	-175.8	175.3	-152.7	0	0	112.2	P33 V34 I200 E201 P202	P33-E36 WeakPolarHBondContact O-CB 3.43Å; P33-E36 PolarHBondContact O-N 3.4Å; P33-E36 VanDerWaalsContact O-N 3.09Å; V34-E36 PolarHBondContact O-N 3.23Å; E36-I200 HydrophobicContact CB-CG2 3.6Å; E36-I200 HydrophobicContact CG-CG2 3.6Å; E36-E201 PolarHBondContact OE1-N 2.89Å; E36-E201 VanDerWaalsContact OE1-N 3.13Å; E36-P202 WeakPolarHBondContact O-CA 3.49Å
37	K	88.3	Confident	85	Confident	183 Å²	183	71.2 Å²	71.2	80%	0.796	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-111.4	16.4	-177.1	-60.8	-176.8	-178.5	178.4	0	112.5	V34 W35 E39	V34-K37 PolarHBondContact O-N 2.87Å; W35-K37 PolarHBondContact O-N 2.84Å; K37-E39 PolarHBondContact O-N 2.81Å; K37-E39 VanDerWaalsContact O-N 3.15Å
38	Y	87.2	Confident	86.4	Confident	46 Å²	46	71.5 Å²	71.5	18%	0.18	37%	0.365	C	S	.	.			trans	-68.3	114.3	-179.7	178.9	-101.1	0	0	0	110	V34 W35 K40 H52 Y53	V34-Y38 PolarHBondContact O-N 2.85Å; W35-Y38 HydrophobicContact CE3-CD1 4.04Å; W35-Y38 AromaticContact CE3-CD2 3.95Å; W35-Y38 HydrophobicContact CE3-CD2 3.95Å; W35-Y38 AromaticContact CE3-CG 3.65Å; W35-Y38 HydrophobicContact CE3-CG 3.65Å; W35-Y38 AromaticContact CZ3-CD1 3.92Å; W35-Y38 HydrophobicContact CZ3-CD1 3.92Å; W35-Y38 AromaticContact CZ3-CD2 3.63Å; W35-Y38 HydrophobicContact CZ3-CD2 3.63Å; W35-Y38 HydrophobicContact CZ3-CE1 4.11Å; W35-Y38 AromaticContact CZ3-CE2 3.83Å; W35-Y38 HydrophobicContact CZ3-CE2 3.83Å; W35-Y38 AromaticContact CZ3-CG 3.68Å; W35-Y38 HydrophobicContact CZ3-CG 3.68Å; W35-Y38 PolarHBondContact O-N 3.36Å; Y38-K40 HydrophobicContact CE2-CB 4.46Å; Y38-H52 HydrophobicContact CE1-CB 4.13Å; Y38-Y53 WeakPolarHBondContact O-CA 3.38Å; Y38-Y53 WeakPolarHBondContact O-CD1 3.47Å
39	E	91.4	Very high	87.3	Confident	97 Å²	97	68.5 Å²	68.5	45%	0.453	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.7	167.6	176.8	178.5	-178.5	0	0	107.4	K37 V41 K49 H52 Y53	K37-E39 PolarHBondContact O-N 2.81Å; K37-E39 VanDerWaalsContact O-N 3.15Å; E39-V41 HydrophobicContact CG-CG2 4.39Å; E39-K49 IonicContact OE1-NZ 3.91Å; E39-K49 PolarHBondContact OE1-NZ 2.79Å; E39-H52 CarbonylContact C-O 3.48Å; E39-H52 WeakPolarHBondContact CA-O 3.44Å; E39-Y53 HydrophobicContact CB-CD1 3.96Å; E39-Y53 HydrophobicContact CB-CE1 3.63Å; E39-Y53 HydrophobicContact CG-CD1 4.22Å; E39-Y53 HydrophobicContact CG-CE1 3.51Å; E39-Y53 PolarHBondContact OE1-OH 2.87Å
40	K	87	Confident	87.9	Confident	68 Å²	68	68.7 Å²	68.7	30%	0.296	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	108	171.2	-165.4	173.4	-166.8	-176.4	0	109.2	Y38 S51 H52 M253	Y38-K40 HydrophobicContact CE2-CB 4.46Å; K40-S51 CarbonylContact O-C 3.54Å; K40-S51 WeakPolarHBondContact O-CA 3.35Å; K40-H52 HydrophobicContact CB-CB 4.41Å; K40-H52 PolarHBondContact N-O 2.87Å; K40-H52 PolarHBondContact O-N 3.28Å; K40-M253 HydrophobicContact CD-CE 3.51Å; K40-M253 HydrophobicContact CG-CE 4.05Å
41	V	90.5	Very high	88.3	Confident	64 Å²	64	67.5 Å²	67.5	39%	0.388	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123.9	174.2	-175.1	0	0	0	0	108.7	E39 E44 K49	E39-V41 HydrophobicContact CG-CG2 4.39Å; V41-E44 HydrophobicContact CG1-CB 4.06Å; V41-K49 HydrophobicContact CG1-CG 4.48Å
42	I	86.9	Confident	88.8	Confident	18 Å²	18	61.6 Å²	61.6	9%	0.092	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-39.1	-175.4	-62.9	166.1	0	0	0	110.6	Y50 H52 T251 M253 I261	I42-Y50 HydrophobicContact CB-CD1 3.94Å; I42-Y50 HydrophobicContact CD1-CD1 3.62Å; I42-Y50 HydrophobicContact CD1-CE1 3.44Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.44Å; I42-Y50 HydrophobicContact CG1-CD1 4.3Å; I42-Y50 HydrophobicContact CG2-CD1 4.35Å; I42-Y50 PolarHBondContact N-O 2.81Å; I42-H52 HydrophobicContact CD1-CB 4.37Å; I42-H52 WeakPolarHBondContact CD1-CD2 3.42Å; I42-H52 VanDerWaalsContact CD1-NE2 3.25Å; I42-H52 WeakPolarHBondContact CD1-NE2 3.37Å; I42-T251 HydrophobicContact CG2-CG2 3.91Å; I42-M253 HydrophobicContact CD1-SD 4.27Å; I42-M253 HydrophobicContact CG1-CE 3.92Å; I42-M253 HydrophobicContact CG1-SD 3.96Å; I42-M253 HydrophobicContact CG2-SD 4.1Å; I42-I261 HydrophobicContact CD1-CD1 4.06Å; I42-I261 HydrophobicContact CG2-CD1 3.74Å; I42-I261 HydrophobicContact CG2-CG2 4.47Å
43	S	89.3	Confident	89.5	Confident	33 Å²	33	57.7 Å²	57.7	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	133.6	179.5	178.2	0	0	0	0	109.2	K49 Y50	S43-K49 CarbonylContact O-C 3.52Å; S43-K49 WeakPolarHBondContact O-CA 3.34Å; S43-Y50 PolarHBondContact N-O 3.15Å; S43-Y50 PolarHBondContact O-N 3.33Å
44	E	93.2	Very high	90.3	Very high	85 Å²	85	55 Å²	55	40%	0.397	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	134.7	176.3	-173	168.6	-174.2	0	0	110	V41 Y48 K49 K209 W210	V41-E44 HydrophobicContact CG1-CB 4.06Å; E44-Y48 CarbonylContact C-O 3.57Å; E44-Y48 WeakPolarHBondContact CA-O 3.33Å; E44-K49 HydrophobicContact CB-CG 4.24Å; E44-K49 HydrophobicContact CG-CB 4.27Å; E44-K49 HydrophobicContact CG-CG 4.06Å; E44-K209 IonicContact OE1-NZ 2.83Å; E44-K209 PolarHBondContact OE1-NZ 3.31Å; E44-W210 HydrophobicContact CG-CZ2 4.29Å
45	N	93.8	Very high	90.8	Very high	81 Å²	81	52.9 Å²	52.9	43%	0.433	26%	0.259	S	S	.	.			trans	-141.1	-169.4	167.9	69.8	35.4	0	0	0	109.2	S47 Y48 W210	N45-S47 PolarHBondContact O-N 2.91Å; N45-S47 PolarHBondContact OD1-N 2.88Å; N45-S47 PolarHBondContact OD1-OG 2.78Å; N45-Y48 PolarHBondContact N-O 3.36Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.43Å; N45-Y48 PolarHBondContact OD1-N 2.82Å; N45-W210 WeakPolarHBondContact O-CH2 3.42Å
46	N	93.9	Very high	91.3	Very high	160 Å²	160	51.9 Å²	51.9	86%	0.856	26%	0.255	S	S	*	.	S	Bend	trans	-66.5	-20.6	-175.8	-68	-13.5	0	0	0	114.8	L62	N46-L62 WeakPolarHBondContact O-CD1 3.29Å
47	S	94.9	Very high	91.7	Very high	56 Å²	56	49 Å²	49	39%	0.392	24%	0.243	S	C	.	.	S	Bend	trans	-126.3	0	-175.1	60.2	0	0	0	0	114.6	N45 L62	N45-S47 PolarHBondContact O-N 2.91Å; N45-S47 PolarHBondContact OD1-N 2.88Å; N45-S47 PolarHBondContact OD1-OG 2.78Å; S47-L62 PolarHBondContact O-N 3.04Å
48	Y	95.5	Very high	92.1	Very high	45 Å²	45	40.4 Å²	40.4	18%	0.176	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.5	-173.9	-179.6	-97.9	0	0	0	110.9	E44 N45 Y50 R59 I60 R61	E44-Y48 CarbonylContact C-O 3.57Å; E44-Y48 WeakPolarHBondContact CA-O 3.33Å; N45-Y48 PolarHBondContact N-O 3.36Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.43Å; N45-Y48 PolarHBondContact OD1-N 2.82Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.28Å; Y48-R59 HydrophobicContact CE2-CG 3.74Å; Y48-I60 WeakPolarHBondContact CA-O 3.4Å; Y48-R61 HydrophobicContact CD2-CG 3.84Å; Y48-R61 HydrophobicContact CE2-CG 4.16Å
49	K	95.6	Very high	92.5	Very high	12 Å²	12	39.7 Å²	39.7	5%	0.052	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.2	165.6	-169.9	-175.6	-175.7	-154.5	0	109	E39 V41 S43 E44 S51 R59 I60 W210	E39-K49 IonicContact OE1-NZ 3.91Å; E39-K49 PolarHBondContact OE1-NZ 2.79Å; V41-K49 HydrophobicContact CG1-CG 4.48Å; S43-K49 CarbonylContact O-C 3.52Å; S43-K49 WeakPolarHBondContact O-CA 3.34Å; E44-K49 HydrophobicContact CB-CG 4.24Å; E44-K49 HydrophobicContact CG-CB 4.27Å; E44-K49 HydrophobicContact CG-CG 4.06Å; K49-S51 VanDerWaalsContact CE-OG 3.24Å; K49-S51 WeakPolarHBondContact CE-OG 3.35Å; K49-R59 CarbonylContact O-C 3.51Å; K49-R59 WeakPolarHBondContact O-CA 3.5Å; K49-I60 HydrophobicContact CB-CB 4.19Å; K49-I60 HydrophobicContact CB-CD1 4.33Å; K49-I60 HydrophobicContact CB-CG1 4.42Å; K49-I60 HydrophobicContact CD-CD1 4.44Å; K49-I60 PolarHBondContact N-O 2.88Å; K49-I60 PolarHBondContact O-N 3.36Å; K49-W210 HydrophobicContact CB-CH2 4.18Å; K49-W210 HydrophobicContact CB-CZ2 3.7Å; K49-W210 HydrophobicContact CD-CZ2 4.5Å
50	Y	94.4	Very high	92.8	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.9	167.9	-173.7	-98.7	0	0	0	110.4	I42 S43 Y48 H52 S57 Q58 R59 E259 I261	I42-Y50 HydrophobicContact CB-CD1 3.94Å; I42-Y50 HydrophobicContact CD1-CD1 3.62Å; I42-Y50 HydrophobicContact CD1-CE1 3.44Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.44Å; I42-Y50 HydrophobicContact CG1-CD1 4.3Å; I42-Y50 HydrophobicContact CG2-CD1 4.35Å; I42-Y50 PolarHBondContact N-O 2.81Å; S43-Y50 PolarHBondContact N-O 3.15Å; S43-Y50 PolarHBondContact O-N 3.33Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.28Å; Y50-H52 AromaticContact CE1-CD2 3.63Å; Y50-H52 AromaticContact CE1-NE2 3.52Å; Y50-H52 AromaticContact CZ-CD2 3.98Å; Y50-H52 AromaticContact CZ-NE2 3.86Å; Y50-H52 PolarHBondContact OH-NE2 3.2Å; Y50-S57 WeakPolarHBondContact OH-CB 3.13Å; Y50-S57 PolarHBondContact OH-OG 3.36Å; Y50-Q58 CarbonylContact C-O 3.48Å; Y50-Q58 VanDerWaalsContact CA-O 3.3Å; Y50-Q58 WeakPolarHBondContact CA-O 3.4Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.44Å; Y50-R59 HydrophobicContact CD2-CB 3.86Å; Y50-R59 HydrophobicContact CD2-CG 4.24Å; Y50-R59 HydrophobicContact CE2-CB 4.4Å; Y50-E259 PolarHBondContact OH-OE2 2.78Å; Y50-I261 HydrophobicContact CD1-CD1 3.32Å; Y50-I261 HydrophobicContact CD1-CG1 3.93Å; Y50-I261 HydrophobicContact CE1-CD1 3.01Å; Y50-I261 HydrophobicContact CE1-CG1 3.82Å; Y50-I261 HydrophobicContact CG-CD1 4.39Å
51	S	92	Very high	93.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.2	-173.8	-52.4	0	0	0	0	110.8	K40 K49 S57 Q58	K40-S51 CarbonylContact O-C 3.54Å; K40-S51 WeakPolarHBondContact O-CA 3.35Å; K49-S51 VanDerWaalsContact CE-OG 3.24Å; K49-S51 WeakPolarHBondContact CE-OG 3.35Å; S51-S57 CarbonylContact O-C 3.56Å; S51-S57 WeakPolarHBondContact O-CA 3.49Å; S51-Q58 PolarHBondContact N-O 2.92Å; S51-Q58 PolarHBondContact O-N 2.77Å
52	H	89.8	Confident	93.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.7	171.9	-74	-175.7	0	0	0	110.7	Y38 E39 K40 I42 Y50 I222 E259	Y38-H52 HydrophobicContact CE1-CB 4.13Å; E39-H52 CarbonylContact C-O 3.48Å; E39-H52 WeakPolarHBondContact CA-O 3.44Å; K40-H52 HydrophobicContact CB-CB 4.41Å; K40-H52 PolarHBondContact N-O 2.87Å; K40-H52 PolarHBondContact O-N 3.28Å; I42-H52 HydrophobicContact CD1-CB 4.37Å; I42-H52 WeakPolarHBondContact CD1-CD2 3.42Å; I42-H52 VanDerWaalsContact CD1-NE2 3.25Å; I42-H52 WeakPolarHBondContact CD1-NE2 3.37Å; Y50-H52 AromaticContact CE1-CD2 3.63Å; Y50-H52 AromaticContact CE1-NE2 3.52Å; Y50-H52 AromaticContact CZ-CD2 3.98Å; Y50-H52 AromaticContact CZ-NE2 3.86Å; Y50-H52 PolarHBondContact OH-NE2 3.2Å; H52-I222 HydrophobicContact CB-CD1 4.39Å; H52-E259 IonicContact CD2-OE2 3.75Å; H52-E259 IonicContact CE1-OE1 2.79Å; H52-E259 PolarHBondContact CE1-OE1 3.29Å; H52-E259 IonicContact CE1-OE2 2.69Å; H52-E259 PolarHBondContact CE1-OE2 3.05Å; H52-E259 IonicContact NE2-OE1 3.99Å; H52-E259 PolarHBondContact NE2-OE1 2.94Å; H52-E259 IonicContact NE2-OE2 3.22Å; H52-E259 PolarHBondContact NE2-OE2 3.16Å
53	Y	92.4	Very high	94	Very high	13 Å²	13	38.9 Å²	38.9	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	177.1	174.6	-62.6	-96.3	0	0	0	109	Y38 E39 K55 Y56 Q58 I204	Y38-Y53 WeakPolarHBondContact O-CA 3.38Å; Y38-Y53 WeakPolarHBondContact O-CD1 3.47Å; E39-Y53 HydrophobicContact CB-CD1 3.96Å; E39-Y53 HydrophobicContact CB-CE1 3.63Å; E39-Y53 HydrophobicContact CG-CD1 4.22Å; E39-Y53 HydrophobicContact CG-CE1 3.51Å; E39-Y53 PolarHBondContact OE1-OH 2.87Å; Y53-K55 PolarHBondContact O-N 2.82Å; Y53-K55 VanDerWaalsContact O-N 3.1Å; Y53-Y56 CarbonylContact C-O 3.54Å; Y53-Y56 WeakPolarHBondContact CA-O 3.49Å; Y53-Y56 PolarHBondContact N-O 3.17Å; Y53-Y56 PolarHBondContact O-N 2.83Å; Y53-Q58 HydrophobicContact CD2-CB 4.12Å; Y53-Q58 HydrophobicContact CE2-CB 3.74Å; Y53-Q58 PolarHBondContact OH-OE1 2.77Å; Y53-I204 VanDerWaalsContact CB-CD1 3.49Å; Y53-I204 HydrophobicContact CD1-CB 4.38Å; Y53-I204 HydrophobicContact CD1-CD1 4.49Å; Y53-I204 HydrophobicContact CD1-CG1 3.94Å; Y53-I204 HydrophobicContact CD1-CG2 4.02Å; Y53-I204 HydrophobicContact CD2-CB 4.48Å; Y53-I204 HydrophobicContact CD2-CD1 3.95Å; Y53-I204 HydrophobicContact CD2-CG1 4.17Å; Y53-I204 HydrophobicContact CD2-CG2 3.57Å; Y53-I204 HydrophobicContact CE1-CG2 3.88Å; Y53-I204 HydrophobicContact CE2-CG2 3.42Å; Y53-I204 VanDerWaalsContact CE2-CG2 3.42Å; Y53-I204 HydrophobicContact CG-CB 4.34Å; Y53-I204 HydrophobicContact CG-CD1 3.75Å; Y53-I204 HydrophobicContact CG-CG1 3.7Å; Y53-I204 HydrophobicContact CG-CG2 3.86Å
54	Y	90.6	Very high	94.3	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	118.1	175.2	-175.6	-110	0	0	0	111.6	I29 W35 Y56 Y91 F189 P202 I224	I29-Y54 HydrophobicContact CB-CE1 3.89Å; I29-Y54 HydrophobicContact CB-CE2 4.14Å; I29-Y54 HydrophobicContact CD1-CD1 3.74Å; I29-Y54 HydrophobicContact CD1-CE1 3.75Å; I29-Y54 HydrophobicContact CD1-CG 4.24Å; I29-Y54 HydrophobicContact CG1-CE1 4.41Å; I29-Y54 HydrophobicContact CG2-CE1 4.09Å; W35-Y54 HydrophobicContact CB-CD2 3.59Å; W35-Y54 HydrophobicContact CB-CE2 4Å; W35-Y54 HydrophobicContact CB-CG 4.16Å; W35-Y54 HydrophobicContact CD2-CD2 4.19Å; W35-Y54 HydrophobicContact CE3-CD2 4.28Å; W35-Y54 AromaticContact CG-CD2 3.91Å; W35-Y54 HydrophobicContact CG-CD2 3.91Å; W35-Y54 HydrophobicContact CG-CE2 4.1Å; W35-Y54 WeakPolarHBondContact O-CB 3.47Å; Y54-Y56 PolarHBondContact O-N 2.91Å; Y54-Y56 VanDerWaalsContact O-N 3.08Å; Y54-Y91 HydrophobicContact CD1-CD1 4.03Å; Y54-Y91 HydrophobicContact CD1-CE1 4.29Å; Y54-Y91 HydrophobicContact CE1-CD1 4.48Å; Y54-Y91 VanDerWaalsContact O-CE1 3.28Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.37Å; Y54-F189 HydrophobicContact CD1-CE2 4.4Å; Y54-F189 HydrophobicContact CD1-CZ 4.44Å; Y54-F189 HydrophobicContact CE1-CE1 4.49Å; Y54-F189 AromaticContact CE1-CE2 3.99Å; Y54-F189 HydrophobicContact CE1-CE2 3.99Å; Y54-F189 AromaticContact CE1-CZ 3.7Å; Y54-F189 HydrophobicContact CE1-CZ 3.7Å; Y54-P202 HydrophobicContact CD1-CB 4.32Å; Y54-P202 HydrophobicContact CD1-CG 4.02Å; Y54-I224 HydrophobicContact CD2-CD1 3.44Å; Y54-I224 VanDerWaalsContact CD2-CD1 3.44Å; Y54-I224 HydrophobicContact CE2-CD1 3.81Å; Y54-I224 HydrophobicContact CG-CD1 4.34Å
55	K	90.3	Very high	94.4	Very high	51 Å²	51	40.4 Å²	40.4	22%	0.222	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	0.4	179.3	-62.7	-71.6	-174.6	-172.3	0	116	D28 Y53 Y91 P221 I222	D28-K55 IonicContact OD2-NZ 3.35Å; Y53-K55 PolarHBondContact O-N 2.82Å; Y53-K55 VanDerWaalsContact O-N 3.1Å; K55-Y91 HydrophobicContact CB-CD1 4.03Å; K55-Y91 HydrophobicContact CG-CD1 4.49Å; K55-P221 WeakPolarHBondContact O-CA 3.32Å; K55-I222 PolarHBondContact O-N 3.13Å
56	Y	94.2	Very high	94.2	Very high	2 Å²	2	40 Å²	40	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.3	177.1	-72.9	-90.4	0	0	0	112.2	Y53 Y54 Y90 Y91 I185 I204 F219 V220 P221	Y53-Y56 CarbonylContact C-O 3.54Å; Y53-Y56 WeakPolarHBondContact CA-O 3.49Å; Y53-Y56 PolarHBondContact N-O 3.17Å; Y53-Y56 PolarHBondContact O-N 2.83Å; Y54-Y56 PolarHBondContact O-N 2.91Å; Y54-Y56 VanDerWaalsContact O-N 3.08Å; Y56-Y90 WeakPolarHBondContact OH-CA 3.22Å; Y56-Y90 WeakPolarHBondContact OH-CD2 3.07Å; Y56-Y91 HydrophobicContact CD2-CD1 4.09Å; Y56-Y91 HydrophobicContact CD2-CD2 4.41Å; Y56-Y91 AromaticContact CD2-CE1 3.94Å; Y56-Y91 HydrophobicContact CD2-CE1 3.94Å; Y56-Y91 HydrophobicContact CD2-CE2 4.26Å; Y56-Y91 HydrophobicContact CD2-CG 4.33Å; Y56-Y91 AromaticContact CE2-CD1 3.97Å; Y56-Y91 HydrophobicContact CE2-CD1 3.97Å; Y56-Y91 AromaticContact CE2-CD2 3.68Å; Y56-Y91 HydrophobicContact CE2-CD2 3.68Å; Y56-Y91 HydrophobicContact CE2-CE1 4.14Å; Y56-Y91 AromaticContact CE2-CE2 3.87Å; Y56-Y91 HydrophobicContact CE2-CE2 3.87Å; Y56-Y91 AromaticContact CE2-CG 3.74Å; Y56-Y91 HydrophobicContact CE2-CG 3.74Å; Y56-Y91 PolarHBondContact OH-N 3.35Å; Y56-Y91 VanDerWaalsContact OH-N 3.13Å; Y56-I185 HydrophobicContact CD1-CD1 4.29Å; Y56-I185 HydrophobicContact CD2-CD1 4.11Å; Y56-I185 HydrophobicContact CE1-CD1 4.48Å; Y56-I185 HydrophobicContact CE2-CD1 4.31Å; Y56-I185 HydrophobicContact CG-CD1 4.11Å; Y56-I204 HydrophobicContact CD2-CD1 4.5Å; Y56-I204 HydrophobicContact CG-CD1 4.3Å; Y56-F219 HydrophobicContact CD1-CB 3.9Å; Y56-F219 HydrophobicContact CE1-CB 4.5Å; Y56-V220 CarbonylContact C-O 3.45Å; Y56-V220 VanDerWaalsContact CA-O 3.29Å; Y56-V220 WeakPolarHBondContact CA-O 3.25Å; Y56-P221 HydrophobicContact CD1-CG 4.3Å; Y56-P221 HydrophobicContact CE1-CB 4.34Å; Y56-P221 HydrophobicContact CE1-CG 3.72Å
57	S	93.9	Very high	93.9	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	150.1	156.2	65.2	0	0	0	0	110.1	Y50 S51 F219 V220	Y50-S57 WeakPolarHBondContact OH-CB 3.13Å; Y50-S57 PolarHBondContact OH-OG 3.36Å; S51-S57 CarbonylContact O-C 3.56Å; S51-S57 WeakPolarHBondContact O-CA 3.49Å; S57-F219 CarbonylContact O-C 3.6Å; S57-F219 WeakPolarHBondContact O-CA 3.48Å; S57-V220 PolarHBondContact N-O 2.91Å; S57-V220 PolarHBondContact O-N 2.86Å
58	Q	97	Very high	93.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.5	174.7	-176.5	-173.3	60.5	0	0	108.9	Y50 S51 Y53 I60 I204 I205 V217 E218 F219	Y50-Q58 CarbonylContact C-O 3.48Å; Y50-Q58 VanDerWaalsContact CA-O 3.3Å; Y50-Q58 WeakPolarHBondContact CA-O 3.4Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.44Å; S51-Q58 PolarHBondContact N-O 2.92Å; S51-Q58 PolarHBondContact O-N 2.77Å; Y53-Q58 HydrophobicContact CD2-CB 4.12Å; Y53-Q58 HydrophobicContact CE2-CB 3.74Å; Y53-Q58 PolarHBondContact OH-OE1 2.77Å; Q58-I60 HydrophobicContact CG-CG1 4.14Å; Q58-I204 HydrophobicContact CB-CG2 4.28Å; Q58-I204 HydrophobicContact CG-CG2 4.48Å; Q58-I205 PolarHBondContact NE2-O 3.36Å; Q58-V217 HydrophobicContact CG-CG1 3.99Å; Q58-E218 CarbonylContact C-O 3.46Å; Q58-E218 WeakPolarHBondContact CA-O 3.37Å; Q58-F219 HydrophobicContact CB-CD1 4.24Å; Q58-F219 HydrophobicContact CB-CE1 4.36Å; Q58-F219 HydrophobicContact CG-CD1 4.16Å; Q58-F219 HydrophobicContact CG-CE1 3.88Å
59	R	96.6	Very high	92.4	Very high	32 Å²	32	37.6 Å²	37.6	12%	0.121	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126	169.4	-172.4	-178.2	-67.2	147.2	6.2	109.8	Y48 K49 Y50 R61 V217 E218 L260	Y48-R59 HydrophobicContact CE2-CG 3.74Å; K49-R59 CarbonylContact O-C 3.51Å; K49-R59 WeakPolarHBondContact O-CA 3.5Å; Y50-R59 HydrophobicContact CD2-CB 3.86Å; Y50-R59 HydrophobicContact CD2-CG 4.24Å; Y50-R59 HydrophobicContact CE2-CB 4.4Å; R59-R61 HydrophobicContact CG-CG 4.25Å; R59-V217 CarbonylContact O-C 3.47Å; R59-V217 VanDerWaalsContact O-CA 3.29Å; R59-V217 WeakPolarHBondContact O-CA 3.49Å; R59-E218 HydrophobicContact CB-CB 4.43Å; R59-E218 PolarHBondContact N-O 3.5Å; R59-E218 IonicContact NH1-OE2 3.25Å; R59-E218 PolarHBondContact O-N 2.9Å; R59-L260 VanDerWaalsContact NH2-CD1 3.27Å
60	I	97.8	Very high	91.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.9	174	-52.8	-179.1	0	0	0	108.3	Y48 K49 Q58 V206 W210 T215 V217	Y48-I60 WeakPolarHBondContact CA-O 3.4Å; K49-I60 HydrophobicContact CB-CB 4.19Å; K49-I60 HydrophobicContact CB-CD1 4.33Å; K49-I60 HydrophobicContact CB-CG1 4.42Å; K49-I60 HydrophobicContact CD-CD1 4.44Å; K49-I60 PolarHBondContact N-O 2.88Å; K49-I60 PolarHBondContact O-N 3.36Å; Q58-I60 HydrophobicContact CG-CG1 4.14Å; I60-V206 HydrophobicContact CD1-CG1 4.49Å; I60-W210 HydrophobicContact CB-CD2 4.41Å; I60-W210 HydrophobicContact CB-CE3 4.37Å; I60-W210 HydrophobicContact CD1-CB 4.14Å; I60-W210 HydrophobicContact CD1-CD2 4.11Å; I60-W210 HydrophobicContact CD1-CG 3.73Å; I60-W210 HydrophobicContact CG2-CB 3.97Å; I60-W210 HydrophobicContact CG2-CD2 3.68Å; I60-W210 HydrophobicContact CG2-CE3 3.44Å; I60-W210 VanDerWaalsContact CG2-CE3 3.44Å; I60-W210 HydrophobicContact CG2-CG 3.93Å; I60-W210 HydrophobicContact CG2-CZ3 4.15Å; I60-T215 HydrophobicContact CG2-CG2 3.92Å; I60-V217 HydrophobicContact CG1-CG1 4.16Å; I60-V217 HydrophobicContact CG1-CG2 4.15Å; I60-V217 HydrophobicContact CG2-CG2 4.22Å
61	R	97.2	Very high	90.5	Very high	69 Å²	69	44.7 Å²	44.7	26%	0.26	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124.5	177	-70.6	-177	-73.6	160.3	-10.2	110.2	Y48 R59 Q64 T215 L216 E218	Y48-R61 HydrophobicContact CD2-CG 3.84Å; Y48-R61 HydrophobicContact CE2-CG 4.16Å; R59-R61 HydrophobicContact CG-CG 4.25Å; R61-Q64 HydrophobicContact CB-CG 3.53Å; R61-Q64 WeakPolarHBondContact O-CG 3.35Å; R61-T215 WeakPolarHBondContact O-CA 3.34Å; R61-L216 PolarHBondContact N-O 3.3Å; R61-L216 PolarHBondContact O-N 2.95Å; R61-E218 IonicContact CZ-OE2 3.1Å; R61-E218 IonicContact NE-OE2 3.63Å; R61-E218 IonicContact NH2-OE1 2.76Å; R61-E218 IonicContact NH2-OE2 3.91Å; R61-E218 PolarHBondContact NH2-OE2 3.46Å
62	L	96.3	Very high	90.1	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.157	28%	0.278	C	S	.	.	S	Bend	trans	-81	165.6	171	-56.8	-173.3	0	0	0	111.4	N46 S47 Q64 W210 D214 T215	N46-L62 WeakPolarHBondContact O-CD1 3.29Å; S47-L62 PolarHBondContact O-N 3.04Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 3.39Å; L62-Q64 PolarHBondContact O-NE2 3.06Å; L62-W210 HydrophobicContact CD1-CE3 4.42Å; L62-W210 HydrophobicContact CD1-CZ3 4.15Å; L62-W210 HydrophobicContact CD2-CE3 3.81Å; L62-W210 HydrophobicContact CD2-CZ3 4.19Å; L62-W210 HydrophobicContact CG-CE3 4.09Å; L62-W210 HydrophobicContact CG-CZ3 3.94Å; L62-D214 CarbonylContact C-O 3.5Å; L62-T215 HydrophobicContact CD2-CG2 3.72Å; L62-T215 WeakPolarHBondContact CD2-OG1 3.17Å
63	N	95.5	Very high	90.1	Very high	130 Å²	130	51.9 Å²	51.9	70%	0.695	29%	0.286	S	S	*	.	S	Bend	trans	52.8	39.9	175.1	-51.7	-34.3	0	0	0	113.6	D214	N63-D214 CarbonylContact C-O 3.53Å; N63-D214 WeakPolarHBondContact CA-O 3.48Å; N63-D214 PolarHBondContact N-O 2.84Å
64	Q	96.3	Very high	90.1	Very high	46 Å²	46	58.3 Å²	58.3	22%	0.215	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-93.3	141.3	177.8	-60.8	-57.6	-77.8	0	0	110.6	R61 L62 Y168 D214 L216	R61-Q64 HydrophobicContact CB-CG 3.53Å; R61-Q64 WeakPolarHBondContact O-CG 3.35Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 3.39Å; L62-Q64 PolarHBondContact O-NE2 3.06Å; Q64-Y168 HydrophobicContact CB-CE2 4.49Å; Q64-Y168 WeakPolarHBondContact O-CE2 3.32Å; Q64-Y168 PolarHBondContact O-OH 3.17Å; Q64-D214 PolarHBondContact N-O 2.98Å; Q64-L216 HydrophobicContact CB-CB 3.87Å; Q64-L216 HydrophobicContact CG-CB 3.82Å
65	P	94.1	Very high	90.1	Very high	105 Å²	105	62 Å²	62	68%	0.682	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-64	156.3	172	29.9	-35.3	0	0	0	110.4	Y168	P65-Y168 WeakPolarHBondContact O-CE2 3.32Å
66	Y	90.6	Very high	89.9	Confident	73 Å²	73	60.3 Å²	60.3	29%	0.286	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-55.4	133	173.2	-173.3	-90.2	0	0	0	110	V68 I69 T156 Y168	Y66-V68 PolarHBondContact O-N 2.91Å; Y66-I69 HydrophobicContact CE1-CD1 4.2Å; Y66-T156 PolarHBondContact OH-OG1 3.34Å; Y66-Y168 VanDerWaalsContact CA-CZ 3.49Å; Y66-Y168 AromaticContact CD2-CD1 3.5Å; Y66-Y168 HydrophobicContact CD2-CD1 3.5Å; Y66-Y168 VanDerWaalsContact CD2-CD1 3.5Å; Y66-Y168 AromaticContact CD2-CE1 3.44Å; Y66-Y168 HydrophobicContact CD2-CE1 3.44Å; Y66-Y168 VanDerWaalsContact CD2-CE1 3.44Å; Y66-Y168 HydrophobicContact CD2-CG 4.4Å; Y66-Y168 AromaticContact CE2-CD1 3.93Å; Y66-Y168 HydrophobicContact CE2-CD1 3.93Å; Y66-Y168 HydrophobicContact CE2-CE1 4.3Å; Y66-Y168 HydrophobicContact CG-CD1 4.43Å; Y66-Y168 HydrophobicContact CG-CE1 4.18Å; Y66-Y168 PolarHBondContact N-OH 3.35Å
67	P	86.9	Confident	89.3	Confident	35 Å²	35	65.2 Å²	65.2	23%	0.227	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-60.8	127.9	179	24.6	-33.3	0	0	0	109.7	I69 Y168	P67-I69 PolarHBondContact O-N 3.37Å; P67-Y168 HydrophobicContact CG-CG 4.3Å
68	V	77.9	Confident	89	Confident	143 Å²	143	70.5 Å²	70.5	87%	0.867	39%	0.386	S	S	*	.			trans	-63.4	113.3	-179.2	-178	0	0	0	0	109.3	Y66	Y66-V68 PolarHBondContact O-N 2.91Å
69	I	80.7	Confident	88.7	Confident	31 Å²	31	75.6 Å²	75.6	16%	0.159	41%	0.413	C	S	.	.			trans	-121.1	109.7	175.6	-63.2	171.3	0	0	0	106.4	Y66 P67 F73 L132 A139 T156 V158	Y66-I69 HydrophobicContact CE1-CD1 4.2Å; P67-I69 PolarHBondContact O-N 3.37Å; I69-F73 HydrophobicContact CB-CE2 4.32Å; I69-F73 HydrophobicContact CD1-CE2 4.44Å; I69-F73 HydrophobicContact CD1-CZ 3.86Å; I69-F73 HydrophobicContact CG2-CE2 3.68Å; I69-F73 HydrophobicContact CG2-CZ 3.89Å; I69-L132 HydrophobicContact CG2-CD2 3.24Å; I69-A139 HydrophobicContact CD1-CB 4.04Å; I69-T156 HydrophobicContact CD1-CG2 4.16Å; I69-V158 HydrophobicContact CD1-CG2 4.15Å
70	S	71.5	Confident	88.6	Confident	98 Å²	98	77.6 Å²	77.6	69%	0.685	42%	0.424	S	S	*	.			trans	-84.3	-8.5	-167.2	51.9	0	0	0	0	114.7
71	D	78.7	Confident	88.5	Confident	68 Å²	68	82 Å²	82	36%	0.364	45%	0.447	S	S	.	.	S	Bend	trans	-109	157.3	-172.1	-70.4	-6.7	0	0	0	112.6	F73 L132 N134	D71-F73 PolarHBondContact O-N 2.88Å; D71-L132 HydrophobicContact CB-CD1 3.42Å; D71-L132 VanDerWaalsContact CB-CD1 3.42Å; D71-L132 HydrophobicContact CB-CD2 3.76Å; D71-L132 HydrophobicContact CB-CG 4.23Å; D71-N134 PolarHBondContact OD2-ND2 3.29Å
72	S	83.3	Confident	88.4	Confident	109 Å²	109	79.3 Å²	79.3	76%	0.762	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-73.4	126.7	178.5	57.7	0	0	0	0	111.2
73	F	91.4	Very high	88.4	Confident	41 Å²	41	84 Å²	84	18%	0.18	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-74.6	148.9	169.7	-70.4	-103.9	0	0	0	111.5	I69 D71 E130 L132 A139 K141	I69-F73 HydrophobicContact CB-CE2 4.32Å; I69-F73 HydrophobicContact CD1-CE2 4.44Å; I69-F73 HydrophobicContact CD1-CZ 3.86Å; I69-F73 HydrophobicContact CG2-CE2 3.68Å; I69-F73 HydrophobicContact CG2-CZ 3.89Å; D71-F73 PolarHBondContact O-N 2.88Å; F73-E130 HydrophobicContact CB-CB 3.62Å; F73-E130 HydrophobicContact CD1-CB 3.88Å; F73-E130 HydrophobicContact CG-CB 4.09Å; F73-L132 HydrophobicContact CD1-CB 3.92Å; F73-L132 HydrophobicContact CE1-CB 4.01Å; F73-L132 HydrophobicContact CG-CB 4.29Å; F73-L132 HydrophobicContact CZ-CB 4.45Å; F73-A139 HydrophobicContact CE1-CB 3.84Å; F73-A139 HydrophobicContact CZ-CB 3.99Å; F73-K141 HydrophobicContact CD1-CB 4.43Å; F73-K141 HydrophobicContact CE1-CB 4.01Å
74	K	91.3	Very high	88.4	Confident	148 Å²	148	78.7 Å²	78.7	64%	0.643	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.6	169.1	-178	-175.4	176.2	-172.4	0	109.7	E130 I131	K74-E130 CarbonylContact O-C 3.51Å; K74-E130 VanDerWaalsContact O-CA 3.27Å; K74-E130 WeakPolarHBondContact O-CA 3.4Å; K74-I131 HydrophobicContact CB-CG2 4.34Å; K74-I131 PolarHBondContact N-O 2.88Å; K74-I131 PolarHBondContact O-N 3.24Å
75	T	89.8	Confident	88.4	Confident	86 Å²	86	82.1 Å²	82.1	53%	0.528	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137	173.8	-50	0	0	0	0	111.2
76	V	86.9	Confident	88.4	Confident	14 Å²	14	78.2 Å²	78.2	9%	0.085	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.9	178.7	-174.8	0	0	0	0	109.9	D78 Q80 Y129 I131	V76-D78 WeakPolarHBondContact CG1-O 3.29Å; V76-Q80 HydrophobicContact CG1-CG 3.56Å; V76-Y129 HydrophobicContact CB-CD2 4.43Å; V76-Y129 HydrophobicContact CB-CE1 4.24Å; V76-Y129 HydrophobicContact CB-CE2 3.87Å; V76-Y129 HydrophobicContact CG1-CE1 4.2Å; V76-Y129 HydrophobicContact CG1-CE2 4.27Å; V76-Y129 WeakPolarHBondContact CG1-OH 3.38Å; V76-Y129 HydrophobicContact CG2-CE2 4.35Å; V76-Y129 PolarHBondContact N-O 3.42Å; V76-Y129 PolarHBondContact O-N 3.44Å; V76-Y129 VanDerWaalsContact O-O 3.08Å; V76-I131 HydrophobicContact CG2-CG2 3.8Å
77	N	81.8	Confident	88.6	Confident	106 Å²	106	82.5 Å²	82.5	57%	0.567	45%	0.447	S	S	*	.			trans	-111.4	-10.7	-176.8	-65	-7.1	0	0	0	113.9	T102	N77-T102 WeakPolarHBondContact O-CG2 3.3Å
78	D	87.2	Confident	89	Confident	115 Å²	115	81.2 Å²	81.2	62%	0.615	44%	0.437	S	S	*	.	S	Bend	trans	-121	169.5	-177.6	-60	-37.3	0	0	0	111.3	V76 Y129	V76-D78 WeakPolarHBondContact CG1-O 3.29Å; D78-Y129 WeakPolarHBondContact O-CE1 3.46Å; D78-Y129 PolarHBondContact O-OH 3.22Å
79	N	91.4	Very high	89.9	Confident	108 Å²	108	78.9 Å²	78.9	58%	0.578	42%	0.417	S	S	*	.			trans	-61.8	144.8	171.4	-64.2	-14.3	0	0	0	110.5	I100 G101 T102	N79-I100 VanDerWaalsContact CA-O 3.24Å; N79-I100 WeakPolarHBondContact CA-O 3.47Å; N79-G101 WeakPolarHBondContact OD1-CA 3.37Å; N79-T102 PolarHBondContact OD1-N 2.81Å
80	Q	93.8	Very high	90.6	Very high	74 Å²	74	77.4 Å²	77.4	35%	0.346	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.9	179.3	-65.9	-67.9	-69.4	0	0	111.9	V76 V82 K99 I100 Y129	V76-Q80 HydrophobicContact CG1-CG 3.56Å; Q80-V82 HydrophobicContact CB-CG2 4.29Å; Q80-K99 CarbonylContact O-C 3.51Å; Q80-K99 WeakPolarHBondContact O-CA 3.34Å; Q80-I100 PolarHBondContact N-O 2.9Å; Q80-I100 PolarHBondContact O-N 2.99Å; Q80-Y129 WeakPolarHBondContact CG-OH 3.34Å
81	D	95.5	Very high	91.7	Very high	92 Å²	92	73 Å²	73	49%	0.492	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.3	163.5	-82.4	28.3	0	0	0	107.9	K97 L98 K99	D81-K97 HydrophobicContact CB-CD 4.24Å; D81-K97 WeakPolarHBondContact OD2-CD 3.37Å; D81-K97 WeakPolarHBondContact OD2-CE 3.42Å; D81-K97 IonicContact OD2-NZ 3.15Å; D81-K97 PolarHBondContact OD2-NZ 2.87Å; D81-L98 CarbonylContact C-O 3.55Å; D81-L98 WeakPolarHBondContact CA-O 3.26Å; D81-K99 WeakPolarHBondContact OD1-CG 3.27Å
82	V	95.5	Very high	92.3	Very high	14 Å²	14	70.8 Å²	70.8	9%	0.085	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.7	-178.8	176.5	0	0	0	0	109.3	Q80 L98 I100 I131	Q80-V82 HydrophobicContact CB-CG2 4.29Å; V82-L98 HydrophobicContact CB-CB 4.31Å; V82-L98 PolarHBondContact N-O 3.08Å; V82-L98 PolarHBondContact O-N 2.79Å; V82-I100 HydrophobicContact CB-CD1 4.37Å; V82-I100 HydrophobicContact CG2-CD1 3.62Å; V82-I100 HydrophobicContact CG2-CG1 4.46Å; V82-I131 HydrophobicContact CG2-CD1 3.6Å
83	I	96.8	Very high	92.8	Very high	128 Å²	128	67.4 Å²	67.4	66%	0.656	34%	0.341	S	S	*	.			trans	-97	113.3	170.9	-60.4	174.9	0	0	0	106.8	K85	I83-K85 PolarHBondContact O-N 2.81Å
84	P	95.7	Very high	93	Very high	18 Å²	18	70.4 Å²	70.4	12%	0.117	36%	0.359	C	S	.	.			trans	-55.1	136.9	180	-26.9	35.7	0	0	0	112.6	F86 F88 V95 L98 I138	P84-F86 WeakPolarHBondContact CB-O 3.45Å; P84-F86 PolarHBondContact O-N 2.82Å; P84-F88 HydrophobicContact CB-CD1 4.34Å; P84-F88 HydrophobicContact CB-CE1 4Å; P84-F88 HydrophobicContact CG-CD1 4.45Å; P84-F88 HydrophobicContact CG-CE1 3.69Å; P84-V95 HydrophobicContact CG-CG1 4.39Å; P84-L98 HydrophobicContact CG-CD1 4.35Å; P84-L98 HydrophobicContact CG-CG 4.26Å; P84-I138 HydrophobicContact CB-CD1 3.81Å; P84-I138 HydrophobicContact CG-CD1 4.01Å
85	K	95.2	Very high	93.3	Very high	118 Å²	118	63.7 Å²	63.7	51%	0.513	33%	0.331	S	S	.	.	S	Bend	trans	-76.8	-0.6	175.4	-65.1	174.4	-178.1	172.5	0	114.1	I83 D133 N135	I83-K85 PolarHBondContact O-N 2.81Å; K85-D133 WeakPolarHBondContact CE-O 3.19Å; K85-D133 WeakPolarHBondContact CE-OD2 3.48Å; K85-D133 PolarHBondContact NZ-O 2.89Å; K85-N135 WeakPolarHBondContact CB-OD1 3.39Å
86	F	95.5	Very high	93.6	Very high	23 Å²	23	62.4 Å²	62.4	10%	0.101	33%	0.325	C	S	.	.	S	Bend	trans	-138.3	153.7	177.3	54.6	-98.2	0	0	0	110	P84 F88 N134 I138 P161	P84-F86 WeakPolarHBondContact CB-O 3.45Å; P84-F86 PolarHBondContact O-N 2.82Å; F86-F88 HydrophobicContact CD2-CB 4.1Å; F86-F88 AromaticContact CD2-CD1 3.86Å; F86-F88 HydrophobicContact CD2-CD1 3.86Å; F86-F88 HydrophobicContact CD2-CG 4.37Å; F86-F88 HydrophobicContact CE2-CB 4.05Å; F86-F88 AromaticContact CE2-CD1 3.49Å; F86-F88 HydrophobicContact CE2-CD1 3.49Å; F86-F88 VanDerWaalsContact CE2-CD1 3.49Å; F86-F88 HydrophobicContact CE2-CE1 4.17Å; F86-F88 AromaticContact CE2-CG 3.97Å; F86-F88 HydrophobicContact CE2-CG 3.97Å; F86-N134 WeakPolarHBondContact CD1-O 3.37Å; F86-I138 HydrophobicContact CE1-CD1 4.23Å; F86-I138 HydrophobicContact CE1-CG1 3.79Å; F86-I138 HydrophobicContact CZ-CD1 4Å; F86-I138 HydrophobicContact CZ-CG1 3.82Å; F86-P161 HydrophobicContact CB-CB 4.38Å; F86-P161 HydrophobicContact CB-CG 4.16Å; F86-P161 HydrophobicContact CD1-CG 4.05Å; F86-P161 VanDerWaalsContact CD2-CA 3.5Å; F86-P161 HydrophobicContact CD2-CB 3.86Å; F86-P161 HydrophobicContact CD2-CG 3.78Å; F86-P161 HydrophobicContact CE1-CG 4.38Å; F86-P161 HydrophobicContact CE2-CB 4.38Å; F86-P161 HydrophobicContact CE2-CG 4.13Å; F86-P161 HydrophobicContact CG-CB 4.16Å; F86-P161 HydrophobicContact CG-CG 3.73Å; F86-P161 HydrophobicContact CZ-CG 4.42Å
87	M	93.9	Very high	94.2	Very high	164 Å²	164	64.6 Å²	64.6	81%	0.808	33%	0.334	S	S	*	.			trans	-79.7	134	171.7	-65.8	-66.1	177.5	0	0	109.7
88	F	96.1	Very high	94.9	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.035	31%	0.307	C	S	.	.			trans	-148.9	164.5	169.6	75.5	-80.6	0	0	0	110.5	P84 F86 V95 L98 I159 P161	P84-F88 HydrophobicContact CB-CD1 4.34Å; P84-F88 HydrophobicContact CB-CE1 4Å; P84-F88 HydrophobicContact CG-CD1 4.45Å; P84-F88 HydrophobicContact CG-CE1 3.69Å; F86-F88 HydrophobicContact CD2-CB 4.1Å; F86-F88 AromaticContact CD2-CD1 3.86Å; F86-F88 HydrophobicContact CD2-CD1 3.86Å; F86-F88 HydrophobicContact CD2-CG 4.37Å; F86-F88 HydrophobicContact CE2-CB 4.05Å; F86-F88 AromaticContact CE2-CD1 3.49Å; F86-F88 HydrophobicContact CE2-CD1 3.49Å; F86-F88 VanDerWaalsContact CE2-CD1 3.49Å; F86-F88 HydrophobicContact CE2-CE1 4.17Å; F86-F88 AromaticContact CE2-CG 3.97Å; F86-F88 HydrophobicContact CE2-CG 3.97Å; F88-V95 HydrophobicContact CD1-CB 4.27Å; F88-V95 HydrophobicContact CD2-CG2 4.07Å; F88-V95 HydrophobicContact CE1-CB 3.79Å; F88-V95 HydrophobicContact CE1-CG1 3.82Å; F88-V95 HydrophobicContact CE1-CG2 4.21Å; F88-V95 HydrophobicContact CE2-CB 4.07Å; F88-V95 HydrophobicContact CE2-CG1 4.43Å; F88-V95 HydrophobicContact CE2-CG2 3.54Å; F88-V95 HydrophobicContact CZ-CB 3.68Å; F88-V95 HydrophobicContact CZ-CG1 3.64Å; F88-V95 HydrophobicContact CZ-CG2 3.63Å; F88-V95 PolarHBondContact O-N 2.91Å; F88-V95 VanDerWaalsContact O-N 3.08Å; F88-L98 HydrophobicContact CZ-CD2 4.31Å; F88-I159 HydrophobicContact CD2-CG2 4Å; F88-I159 HydrophobicContact CE1-CG2 4.24Å; F88-I159 HydrophobicContact CE2-CG2 3.65Å; F88-I159 HydrophobicContact CG-CG2 4.44Å; F88-I159 HydrophobicContact CZ-CG2 3.77Å; F88-P161 WeakPolarHBondContact CB-O 3.37Å
89	Q	95.3	Very high	95.4	Very high	94 Å²	94	57.7 Å²	57.7	44%	0.439	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.3	177.8	-69.2	-177	-1.9	0	0	111.8	G92 R93 N94	Q89-G92 PolarHBondContact OE1-O 2.81Å; Q89-R93 CarbonylContact C-O 3.52Å; Q89-R93 VanDerWaalsContact CA-O 3.29Å; Q89-R93 WeakPolarHBondContact CA-O 3.35Å; Q89-N94 VanDerWaalsContact CG-OD1 3.3Å; Q89-N94 WeakPolarHBondContact CG-OD1 3.48Å; Q89-N94 PolarHBondContact NE2-OD1 3.08Å
90	Y	96.9	Very high	95.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.1	171.1	-173.1	-108.8	0	0	0	109.3	Y56 G92 R93 I108 L114 N116 I165 R186	Y56-Y90 WeakPolarHBondContact OH-CA 3.22Å; Y56-Y90 WeakPolarHBondContact OH-CD2 3.07Å; Y90-G92 PolarHBondContact O-N 2.83Å; Y90-R93 PolarHBondContact N-O 3.48Å; Y90-R93 PolarHBondContact O-N 3.18Å; Y90-R93 VanDerWaalsContact O-N 3.11Å; Y90-I108 HydrophobicContact CD1-CB 4.27Å; Y90-I108 HydrophobicContact CD1-CD1 3.93Å; Y90-I108 HydrophobicContact CD1-CG2 4.03Å; Y90-I108 HydrophobicContact CD2-CD1 3.63Å; Y90-I108 HydrophobicContact CE1-CD1 3.84Å; Y90-I108 HydrophobicContact CE2-CD1 3.54Å; Y90-I108 HydrophobicContact CG-CD1 3.82Å; Y90-I108 HydrophobicContact CG-CG2 4.05Å; Y90-L114 HydrophobicContact CD1-CB 4.11Å; Y90-N116 PolarHBondContact OH-O 2.86Å; Y90-I165 HydrophobicContact CD2-CD1 3.84Å; Y90-I165 HydrophobicContact CE2-CD1 3.59Å; Y90-R186 WeakPolarHBondContact CE1-O 3.28Å; Y90-R186 PolarHBondContact OH-N 3.35Å; Y90-R186 PolarHBondContact OH-O 2.84Å
91	Y	94.2	Very high	95.5	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.02	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	42.4	-169.1	-76	-91.4	0	0	0	112.9	Y54 K55 Y56 R93 I185 G187 F189 P202	Y54-Y91 HydrophobicContact CD1-CD1 4.03Å; Y54-Y91 HydrophobicContact CD1-CE1 4.29Å; Y54-Y91 HydrophobicContact CE1-CD1 4.48Å; Y54-Y91 VanDerWaalsContact O-CE1 3.28Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.37Å; K55-Y91 HydrophobicContact CB-CD1 4.03Å; K55-Y91 HydrophobicContact CG-CD1 4.49Å; Y56-Y91 HydrophobicContact CD2-CD1 4.09Å; Y56-Y91 HydrophobicContact CD2-CD2 4.41Å; Y56-Y91 AromaticContact CD2-CE1 3.94Å; Y56-Y91 HydrophobicContact CD2-CE1 3.94Å; Y56-Y91 HydrophobicContact CD2-CE2 4.26Å; Y56-Y91 HydrophobicContact CD2-CG 4.33Å; Y56-Y91 AromaticContact CE2-CD1 3.97Å; Y56-Y91 HydrophobicContact CE2-CD1 3.97Å; Y56-Y91 AromaticContact CE2-CD2 3.68Å; Y56-Y91 HydrophobicContact CE2-CD2 3.68Å; Y56-Y91 HydrophobicContact CE2-CE1 4.14Å; Y56-Y91 AromaticContact CE2-CE2 3.87Å; Y56-Y91 HydrophobicContact CE2-CE2 3.87Å; Y56-Y91 AromaticContact CE2-CG 3.74Å; Y56-Y91 HydrophobicContact CE2-CG 3.74Å; Y56-Y91 PolarHBondContact OH-N 3.35Å; Y56-Y91 VanDerWaalsContact OH-N 3.13Å; Y91-R93 VanDerWaalsContact C-N 3.28Å; Y91-R93 PolarHBondContact O-N 2.84Å; Y91-I185 HydrophobicContact CE2-CD1 4.45Å; Y91-G187 VanDerWaalsContact CE2-CA 3.5Å; Y91-F189 HydrophobicContact CD1-CE2 4.19Å; Y91-F189 HydrophobicContact CD1-CZ 4.2Å; Y91-F189 HydrophobicContact CG-CE2 4.39Å; Y91-F189 HydrophobicContact CG-CZ 4.24Å; Y91-P202 HydrophobicContact CD1-CG 4.26Å; Y91-P202 HydrophobicContact CE1-CB 4.21Å; Y91-P202 HydrophobicContact CE1-CG 3.81Å; Y91-P202 PolarHBondContact OH-O 3.47Å
92	G	90.9	Very high	95	Very high	21 Å²	21	46.7 Å²	46.7	22%	0.216	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	5.2	179	0	0	0	0	0	115.8	Y25 Q89 Y90	Y25-G92 PolarHBondContact OH-O 3.49Å; Q89-G92 PolarHBondContact OE1-O 2.81Å; Y90-G92 PolarHBondContact O-N 2.83Å
93	R	93.3	Very high	94.6	Very high	38 Å²	38	51.3 Å²	51.3	14%	0.143	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.5	178.9	-65.3	177.4	-64.5	175.2	3.9	111.1	Q89 Y90 Y91 V95 L114 V188	Q89-R93 CarbonylContact C-O 3.52Å; Q89-R93 VanDerWaalsContact CA-O 3.29Å; Q89-R93 WeakPolarHBondContact CA-O 3.35Å; Y90-R93 PolarHBondContact N-O 3.48Å; Y90-R93 PolarHBondContact O-N 3.18Å; Y90-R93 VanDerWaalsContact O-N 3.11Å; Y91-R93 VanDerWaalsContact C-N 3.28Å; Y91-R93 PolarHBondContact O-N 2.84Å; R93-V95 PolarHBondContact O-N 2.89Å; R93-L114 HydrophobicContact CB-CD1 4.25Å; R93-L114 HydrophobicContact CB-CD2 3.97Å; R93-L114 PolarHBondContact NH2-O 2.97Å; R93-V188 VanDerWaalsContact CZ-O 3.23Å; R93-V188 PolarHBondContact NH1-O 3.41Å; R93-V188 PolarHBondContact NH2-O 2.82Å
94	N	95.8	Very high	94.2	Very high	105 Å²	105	45.4 Å²	45.4	56%	0.561	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.3	-177.3	-66.5	-21.5	0	0	0	111.5	Q89 L114	Q89-N94 VanDerWaalsContact CG-OD1 3.3Å; Q89-N94 WeakPolarHBondContact CG-OD1 3.48Å; Q89-N94 PolarHBondContact NE2-OD1 3.08Å; N94-L114 WeakPolarHBondContact O-CD1 3.36Å
95	V	97.9	Very high	94.1	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.042	24%	0.241	C	C	.	.			trans	-90.1	132.7	176.5	-180	0	0	0	0	110.1	P84 F88 R93 L98 I108 F109 L114	P84-V95 HydrophobicContact CG-CG1 4.39Å; F88-V95 HydrophobicContact CD1-CB 4.27Å; F88-V95 HydrophobicContact CD2-CG2 4.07Å; F88-V95 HydrophobicContact CE1-CB 3.79Å; F88-V95 HydrophobicContact CE1-CG1 3.82Å; F88-V95 HydrophobicContact CE1-CG2 4.21Å; F88-V95 HydrophobicContact CE2-CB 4.07Å; F88-V95 HydrophobicContact CE2-CG1 4.43Å; F88-V95 HydrophobicContact CE2-CG2 3.54Å; F88-V95 HydrophobicContact CZ-CB 3.68Å; F88-V95 HydrophobicContact CZ-CG1 3.64Å; F88-V95 HydrophobicContact CZ-CG2 3.63Å; F88-V95 PolarHBondContact O-N 2.91Å; F88-V95 VanDerWaalsContact O-N 3.08Å; R93-V95 PolarHBondContact O-N 2.89Å; V95-L98 HydrophobicContact CG1-CD2 3.96Å; V95-I108 HydrophobicContact CB-CG2 4.32Å; V95-I108 HydrophobicContact CG1-CG2 3.78Å; V95-I108 HydrophobicContact CG2-CG2 3.56Å; V95-F109 WeakPolarHBondContact CA-O 3.46Å; V95-L114 HydrophobicContact CG2-CD1 4.03Å
96	S	97.2	Very high	94.2	Very high	59 Å²	59	40.7 Å²	40.7	41%	0.413	22%	0.216	S	C	.	.			trans	-108.3	-30.1	176	64	0	0	0	0	112.5	F109 G110	S96-F109 PolarHBondContact N-O 2.75Å; S96-F109 PolarHBondContact OG-O 3.05Å; S96-G110 WeakPolarHBondContact OG-CA 3.11Å; S96-G110 PolarHBondContact OG-O 3.47Å
97	K	97.7	Very high	94.3	Very high	60 Å²	60	42.6 Å²	42.6	26%	0.261	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	146	-174.2	-174.4	170.1	72.7	165.1	0	112.6	D81 F109	D81-K97 HydrophobicContact CB-CD 4.24Å; D81-K97 WeakPolarHBondContact OD2-CD 3.37Å; D81-K97 WeakPolarHBondContact OD2-CE 3.42Å; D81-K97 IonicContact OD2-NZ 3.15Å; D81-K97 PolarHBondContact OD2-NZ 2.87Å; K97-F109 HydrophobicContact CB-CB 4.31Å; K97-F109 PolarHBondContact N-O 3.28Å; K97-F109 PolarHBondContact O-N 2.87Å
98	L	98	Very high	94.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.8	168.7	-56.7	178.4	0	0	0	109.5	D81 V82 P84 F88 V95 I106 E107 I108 I138 I159	D81-L98 CarbonylContact C-O 3.55Å; D81-L98 WeakPolarHBondContact CA-O 3.26Å; V82-L98 HydrophobicContact CB-CB 4.31Å; V82-L98 PolarHBondContact N-O 3.08Å; V82-L98 PolarHBondContact O-N 2.79Å; P84-L98 HydrophobicContact CG-CD1 4.35Å; P84-L98 HydrophobicContact CG-CG 4.26Å; F88-L98 HydrophobicContact CZ-CD2 4.31Å; V95-L98 HydrophobicContact CG1-CD2 3.96Å; L98-I106 HydrophobicContact CB-CG2 4.13Å; L98-I106 HydrophobicContact CD2-CG2 4.09Å; L98-E107 CarbonylContact C-O 3.55Å; L98-E107 WeakPolarHBondContact CA-O 3.14Å; L98-I108 HydrophobicContact CD2-CB 4.19Å; L98-I108 HydrophobicContact CD2-CG1 3.78Å; L98-I108 HydrophobicContact CD2-CG2 4Å; L98-I138 HydrophobicContact CD1-CD1 3.77Å; L98-I159 HydrophobicContact CD1-CD1 4.02Å
99	K	97.1	Very high	94.7	Very high	75 Å²	75	36.2 Å²	36.2	33%	0.326	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.8	164.9	-57.5	-169.3	174.3	179.8	0	109.2	Q80 D81 I106 E107 F109	Q80-K99 CarbonylContact O-C 3.51Å; Q80-K99 WeakPolarHBondContact O-CA 3.34Å; D81-K99 WeakPolarHBondContact OD1-CG 3.27Å; K99-I106 CarbonylContact O-C 3.55Å; K99-I106 WeakPolarHBondContact O-CA 3.47Å; K99-E107 HydrophobicContact CB-CB 4.19Å; K99-E107 PolarHBondContact N-O 2.92Å; K99-E107 PolarHBondContact O-N 3.03Å; K99-F109 HydrophobicContact CB-CE2 4.32Å; K99-F109 HydrophobicContact CD-CE2 3.74Å; K99-F109 HydrophobicContact CD-CZ 4.22Å; K99-F109 HydrophobicContact CG-CD2 4.18Å; K99-F109 HydrophobicContact CG-CE2 3.68Å
100	I	95.5	Very high	94.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.5	-177.5	-56.8	165.8	0	0	0	108	N79 Q80 V82 I106 Y129 I131 I140 W142	N79-I100 VanDerWaalsContact CA-O 3.24Å; N79-I100 WeakPolarHBondContact CA-O 3.47Å; Q80-I100 PolarHBondContact N-O 2.9Å; Q80-I100 PolarHBondContact O-N 2.99Å; V82-I100 HydrophobicContact CB-CD1 4.37Å; V82-I100 HydrophobicContact CG2-CD1 3.62Å; V82-I100 HydrophobicContact CG2-CG1 4.46Å; I100-I106 HydrophobicContact CG1-CG1 4.45Å; I100-I106 HydrophobicContact CG1-CG2 4.4Å; I100-Y129 HydrophobicContact CB-CE2 4.38Å; I100-Y129 HydrophobicContact CG2-CD2 4.08Å; I100-Y129 HydrophobicContact CG2-CE1 4.43Å; I100-Y129 HydrophobicContact CG2-CE2 3.59Å; I100-I131 HydrophobicContact CD1-CD1 3.39Å; I100-I131 HydrophobicContact CD1-CG1 4.32Å; I100-I140 HydrophobicContact CD1-CD1 4.3Å; I100-I140 HydrophobicContact CD1-CG1 3.74Å; I100-I140 HydrophobicContact CG1-CG1 4.33Å; I100-I140 HydrophobicContact CG2-CG1 4.36Å; I100-I140 HydrophobicContact CG2-CG2 4.02Å; I100-W142 HydrophobicContact CG2-CZ2 4.17Å
101	G	91	Very high	94.5	Very high	7 Å²	7	42.1 Å²	42.1	7%	0.072	23%	0.225	C	C	.	.			trans	-97.5	150	177.3	0	0	0	0	0	112.1	N79 L103 S105 W142	N79-G101 WeakPolarHBondContact OD1-CA 3.37Å; G101-L103 PolarHBondContact O-N 3.43Å; G101-S105 PolarHBondContact N-O 2.81Å; G101-W142 PolarHBondContact O-NE1 2.76Å
102	T	86.8	Confident	94.4	Very high	35 Å²	35	47.8 Å²	47.8	22%	0.215	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.5	176	52.9	0	0	0	0	113.1	N77 N79 G104 Y129	N77-T102 WeakPolarHBondContact O-CG2 3.3Å; N79-T102 PolarHBondContact OD1-N 2.81Å; T102-G104 PolarHBondContact O-N 2.88Å; T102-Y129 HydrophobicContact CG2-CE1 4.15Å
103	L	85.2	Confident	94.7	Very high	112 Å²	112	50.6 Å²	50.6	59%	0.586	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	40.8	-174.8	-50.8	179.8	0	0	0	113.6	G101 S105 M127	G101-L103 PolarHBondContact O-N 3.43Å; L103-S105 VanDerWaalsContact C-N 3.35Å; L103-S105 PolarHBondContact O-N 2.87Å; L103-M127 HydrophobicContact CD2-CE 3.16Å; L103-M127 HydrophobicContact CD2-SD 3.89Å; L103-M127 HydrophobicContact CG-CE 4.46Å
104	G	89.4	Confident	94.9	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	74.1	19.8	173.6	0	0	0	0	0	115.4	T102 N118 H119	T102-G104 PolarHBondContact O-N 2.88Å; G104-N118 CarbonylContact O-C 3.58Å; G104-N118 WeakPolarHBondContact O-CA 3.24Å; G104-H119 PolarHBondContact O-CD2 3.39Å; G104-H119 PolarHBondContact O-N 3.13Å
105	S	93.5	Very high	95	Very high	38 Å²	38	44.2 Å²	44.2	27%	0.266	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.6	-176.3	66.1	0	0	0	0	112.6	G101 L103 I117	G101-S105 PolarHBondContact N-O 2.81Å; L103-S105 VanDerWaalsContact C-N 3.35Å; L103-S105 PolarHBondContact O-N 2.87Å; S105-I117 CarbonylContact C-O 3.55Å; S105-I117 WeakPolarHBondContact CA-O 3.5Å
106	I	97.3	Very high	95	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.1	165.8	-52.1	170.4	0	0	0	107.9	L98 K99 I100 I108 N116 I117 I140 W142	L98-I106 HydrophobicContact CB-CG2 4.13Å; L98-I106 HydrophobicContact CD2-CG2 4.09Å; K99-I106 CarbonylContact O-C 3.55Å; K99-I106 WeakPolarHBondContact O-CA 3.47Å; I100-I106 HydrophobicContact CG1-CG1 4.45Å; I100-I106 HydrophobicContact CG1-CG2 4.4Å; I106-I108 HydrophobicContact CG2-CG1 4.33Å; I106-N116 CarbonylContact O-C 3.59Å; I106-N116 WeakPolarHBondContact O-CA 3.25Å; I106-N116 WeakPolarHBondContact O-CB 3.46Å; I106-I117 HydrophobicContact CB-CB 4.13Å; I106-I117 HydrophobicContact CD1-CB 4.48Å; I106-I117 HydrophobicContact CD1-CD1 4.1Å; I106-I117 PolarHBondContact N-O 3.38Å; I106-I117 PolarHBondContact O-N 2.9Å; I106-I140 HydrophobicContact CD1-CD1 3.68Å; I106-I140 HydrophobicContact CD1-CG1 4.16Å; I106-W142 HydrophobicContact CD1-CH2 3.72Å; I106-W142 HydrophobicContact CD1-CZ2 4.44Å; I106-W142 HydrophobicContact CG1-CH2 3.69Å; I106-W142 HydrophobicContact CG1-CZ2 3.97Å
107	E	98.1	Very high	95	Very high	62 Å²	62	42.1 Å²	42.1	29%	0.29	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.8	168.5	-56.8	-165.5	123.1	0	0	110.3	L98 K99 F109 K113	L98-E107 CarbonylContact C-O 3.55Å; L98-E107 WeakPolarHBondContact CA-O 3.14Å; K99-E107 HydrophobicContact CB-CB 4.19Å; K99-E107 PolarHBondContact N-O 2.92Å; K99-E107 PolarHBondContact O-N 3.03Å; E107-F109 HydrophobicContact CB-CD2 4.34Å; E107-F109 HydrophobicContact CB-CE2 3.5Å; E107-F109 VanDerWaalsContact CB-CE2 3.5Å; E107-F109 HydrophobicContact CB-CZ 4.08Å; E107-F109 WeakPolarHBondContact OE2-CZ 3.32Å; E107-K113 IonicContact OE1-NZ 2.8Å; E107-K113 PolarHBondContact OE1-NZ 2.72Å
108	I	98.5	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.4	-173.5	-54.3	179.6	0	0	0	109	Y90 V95 L98 I106 L114 G115 I117	Y90-I108 HydrophobicContact CD1-CB 4.27Å; Y90-I108 HydrophobicContact CD1-CD1 3.93Å; Y90-I108 HydrophobicContact CD1-CG2 4.03Å; Y90-I108 HydrophobicContact CD2-CD1 3.63Å; Y90-I108 HydrophobicContact CE1-CD1 3.84Å; Y90-I108 HydrophobicContact CE2-CD1 3.54Å; Y90-I108 HydrophobicContact CG-CD1 3.82Å; Y90-I108 HydrophobicContact CG-CG2 4.05Å; V95-I108 HydrophobicContact CB-CG2 4.32Å; V95-I108 HydrophobicContact CG1-CG2 3.78Å; V95-I108 HydrophobicContact CG2-CG2 3.56Å; L98-I108 HydrophobicContact CD2-CB 4.19Å; L98-I108 HydrophobicContact CD2-CG1 3.78Å; L98-I108 HydrophobicContact CD2-CG2 4Å; I106-I108 HydrophobicContact CG2-CG1 4.33Å; I108-L114 HydrophobicContact CG2-CB 4.34Å; I108-L114 HydrophobicContact CG2-CD1 4.35Å; I108-L114 PolarHBondContact O-N 2.87Å; I108-G115 PolarHBondContact N-O 3.23Å; I108-G115 PolarHBondContact O-N 2.95Å; I108-I117 HydrophobicContact CD1-CD1 4.21Å; I108-I117 HydrophobicContact CD1-CG1 4.16Å
109	F	98.4	Very high	94.7	Very high	39 Å²	39	41.9 Å²	41.9	17%	0.171	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.8	-176.2	-64.1	-93.2	0	0	0	111.8	V95 S96 K97 K99 E107 K113	V95-F109 WeakPolarHBondContact CA-O 3.46Å; S96-F109 PolarHBondContact N-O 2.75Å; S96-F109 PolarHBondContact OG-O 3.05Å; K97-F109 HydrophobicContact CB-CB 4.31Å; K97-F109 PolarHBondContact N-O 3.28Å; K97-F109 PolarHBondContact O-N 2.87Å; K99-F109 HydrophobicContact CB-CE2 4.32Å; K99-F109 HydrophobicContact CD-CE2 3.74Å; K99-F109 HydrophobicContact CD-CZ 4.22Å; K99-F109 HydrophobicContact CG-CD2 4.18Å; K99-F109 HydrophobicContact CG-CE2 3.68Å; E107-F109 HydrophobicContact CB-CD2 4.34Å; E107-F109 HydrophobicContact CB-CE2 3.5Å; E107-F109 VanDerWaalsContact CB-CE2 3.5Å; E107-F109 HydrophobicContact CB-CZ 4.08Å; E107-F109 WeakPolarHBondContact OE2-CZ 3.32Å; F109-K113 HydrophobicContact CD1-CB 4.03Å; F109-K113 HydrophobicContact CE1-CB 3.8Å; F109-K113 HydrophobicContact CE1-CD 4.45Å; F109-K113 HydrophobicContact CE1-CG 4.14Å; F109-K113 HydrophobicContact CZ-CG 4.49Å
110	G	96.2	Very high	94.2	Very high	15 Å²	15	41.4 Å²	41.4	16%	0.155	21%	0.21	C	C	.	.	S	Bend	trans	-113.9	-120.8	162.1	0	0	0	0	0	107.6	S96 K112	S96-G110 WeakPolarHBondContact OG-CA 3.11Å; S96-G110 PolarHBondContact OG-O 3.47Å; G110-K112 VanDerWaalsContact C-N 3.31Å; G110-K112 PolarHBondContact N-O 2.94Å
111	E	91.7	Very high	93.5	Very high	203 Å²	203	41.8 Å²	41.8	95%	0.949	21%	0.213	S	C	*	.	S	Bend	trans	-68.2	-34.8	164.3	-64.8	-177.5	171.9	0	0	111.9
112	K	93.4	Very high	92.6	Very high	124 Å²	124	42.1 Å²	42.1	54%	0.539	21%	0.213	S	C	.	.	S	Bend	trans	-126.4	174.6	175.3	-64.6	-179.3	176.4	177.3	0	109.7	G110 L114	G110-K112 VanDerWaalsContact C-N 3.31Å; G110-K112 PolarHBondContact N-O 2.94Å; K112-L114 PolarHBondContact O-N 2.8Å
113	K	96.8	Very high	91.8	Very high	80 Å²	80	41.7 Å²	41.7	35%	0.348	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	122.8	172.1	-174.2	167.1	177.9	167.6	0	109.6	E107 F109	E107-K113 IonicContact OE1-NZ 2.8Å; E107-K113 PolarHBondContact OE1-NZ 2.72Å; F109-K113 HydrophobicContact CD1-CB 4.03Å; F109-K113 HydrophobicContact CE1-CB 3.8Å; F109-K113 HydrophobicContact CE1-CD 4.45Å; F109-K113 HydrophobicContact CE1-CG 4.14Å; F109-K113 HydrophobicContact CZ-CG 4.49Å
114	L	97.4	Very high	90.8	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-24.1	179.5	-56.6	178.7	0	0	0	112	Y90 R93 N94 V95 I108 K112 G187 V188	Y90-L114 HydrophobicContact CD1-CB 4.11Å; R93-L114 HydrophobicContact CB-CD1 4.25Å; R93-L114 HydrophobicContact CB-CD2 3.97Å; R93-L114 PolarHBondContact NH2-O 2.97Å; N94-L114 WeakPolarHBondContact O-CD1 3.36Å; V95-L114 HydrophobicContact CG2-CD1 4.03Å; I108-L114 HydrophobicContact CG2-CB 4.34Å; I108-L114 HydrophobicContact CG2-CD1 4.35Å; I108-L114 PolarHBondContact O-N 2.87Å; K112-L114 PolarHBondContact O-N 2.8Å; L114-G187 CarbonylContact O-C 3.55Å; L114-V188 PolarHBondContact O-N 3.1Å
115	G	97.9	Very high	89.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.2	-156.5	179.1	0	0	0	0	0	113.1	I108 R186	I108-G115 PolarHBondContact N-O 3.23Å; I108-G115 PolarHBondContact O-N 2.95Å; G115-R186 CarbonylContact C-O 3.47Å; G115-R186 WeakPolarHBondContact CA-O 3.36Å
116	N	98	Very high	88	Confident	22 Å²	22	49.8 Å²	49.8	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	156.4	179.9	67.1	-84.1	0	0	0	113.4	Y90 I106 R186	Y90-N116 PolarHBondContact OH-O 2.86Å; I106-N116 CarbonylContact O-C 3.59Å; I106-N116 WeakPolarHBondContact O-CA 3.25Å; I106-N116 WeakPolarHBondContact O-CB 3.46Å; N116-R186 PolarHBondContact N-O 2.79Å; N116-R186 PolarHBondContact O-N 2.9Å
117	I	97.9	Very high	86.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.3	163.5	-59.6	170.1	0	0	0	106.9	S105 I106 I108 I159 I165 F167 L184 I185	S105-I117 CarbonylContact C-O 3.55Å; S105-I117 WeakPolarHBondContact CA-O 3.5Å; I106-I117 HydrophobicContact CB-CB 4.13Å; I106-I117 HydrophobicContact CD1-CB 4.48Å; I106-I117 HydrophobicContact CD1-CD1 4.1Å; I106-I117 PolarHBondContact N-O 3.38Å; I106-I117 PolarHBondContact O-N 2.9Å; I108-I117 HydrophobicContact CD1-CD1 4.21Å; I108-I117 HydrophobicContact CD1-CG1 4.16Å; I117-I159 HydrophobicContact CD1-CD1 4.24Å; I117-I165 HydrophobicContact CD1-CD1 4.26Å; I117-I165 HydrophobicContact CD1-CG2 4.04Å; I117-F167 HydrophobicContact CG2-CE1 3.65Å; I117-F167 HydrophobicContact CG2-CZ 3.56Å; I117-L184 WeakPolarHBondContact CA-O 3.33Å; I117-I185 HydrophobicContact CG1-CG2 4Å
118	N	95.3	Very high	86.2	Confident	45 Å²	45	51.4 Å²	51.4	24%	0.241	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	136.7	177.4	-165.3	-2.9	0	0	0	111	G104 S183 L184	G104-N118 CarbonylContact O-C 3.58Å; G104-N118 WeakPolarHBondContact O-CA 3.24Å; N118-S183 CarbonylContact O-C 3.47Å; N118-S183 VanDerWaalsContact O-CA 3.22Å; N118-S183 WeakPolarHBondContact O-CA 3.45Å; N118-L184 HydrophobicContact CB-CD1 4.18Å; N118-L184 HydrophobicContact CB-CG 4.26Å; N118-L184 PolarHBondContact N-O 3.11Å; N118-L184 PolarHBondContact O-N 2.84Å
119	H	93.2	Very high	85.8	Confident	11 Å²	11	51.4 Å²	51.4	5%	0.051	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108.5	172	-57.3	-63.1	0	0	0	109.1	G104 W142 S157 F167 S183	G104-H119 PolarHBondContact O-CD2 3.39Å; G104-H119 PolarHBondContact O-N 3.13Å; H119-W142 AromaticContact CD2-CE3 3.84Å; H119-W142 AromaticContact CD2-CH2 3.88Å; H119-W142 AromaticContact CD2-CZ3 3.44Å; H119-W142 VanDerWaalsContact CD2-CZ3 3.44Å; H119-W142 WeakPolarHBondContact CD2-CZ3 3.47Å; H119-W142 AromaticContact NE2-CZ3 3.53Å; H119-S157 PolarHBondContact CE1-OG 3.27Å; H119-S157 PolarHBondContact NE2-OG 3.11Å; H119-F167 AromaticContact CE1-CD1 3.71Å; H119-F167 AromaticContact CE1-CD2 3.89Å; H119-F167 AromaticContact CE1-CE1 3.82Å; H119-F167 AromaticContact CE1-CE2 3.97Å; H119-F167 AromaticContact CE1-CG 3.77Å; H119-F167 AromaticContact CE1-CZ 3.95Å; H119-S183 WeakPolarHBondContact ND1-CB 3.43Å; H119-S183 PolarHBondContact ND1-OG 3.24Å
120	N	87.4	Confident	85.5	Confident	64 Å²	64	51.2 Å²	51.2	34%	0.342	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	88.6	169.8	-173.5	47.3	0	0	0	109.2	K180 R181 Y182	N120-K180 PolarHBondContact ND2-O 2.78Å; N120-R181 WeakPolarHBondContact O-CA 3Å; N120-Y182 WeakPolarHBondContact CA-O 3.43Å; N120-Y182 HydrophobicContact CB-CD1 3.73Å; N120-Y182 HydrophobicContact CB-CD2 4.09Å; N120-Y182 HydrophobicContact CB-CE1 3.41Å; N120-Y182 VanDerWaalsContact CB-CE1 3.41Å; N120-Y182 HydrophobicContact CB-CE2 3.8Å; N120-Y182 HydrophobicContact CB-CG 4.06Å; N120-Y182 VanDerWaalsContact CB-CZ 3.45Å; N120-Y182 PolarHBondContact N-O 2.9Å; N120-Y182 VanDerWaalsContact ND2-CE1 3.28Å; N120-Y182 WeakPolarHBondContact ND2-CE1 3.42Å; N120-Y182 PolarHBondContact O-N 2.75Å; N120-Y182 VanDerWaalsContact O-N 3.12Å
121	I	80.6	Confident	85.5	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.051	25%	0.252	C	S	.	.			trans	-121.9	121.1	174.7	-65.5	166.2	0	0	0	107.2	A123 L144 V155 Y169 I211	I121-A123 PolarHBondContact O-N 2.82Å; I121-L144 HydrophobicContact CB-CD1 3.59Å; I121-L144 HydrophobicContact CD1-CD1 4.28Å; I121-L144 HydrophobicContact CG2-CD1 3.51Å; I121-V155 HydrophobicContact CD1-CB 4.41Å; I121-V155 HydrophobicContact CD1-CG2 3.14Å; I121-Y169 HydrophobicContact CD1-CD1 4.28Å; I121-Y169 HydrophobicContact CD1-CE1 4.16Å; I121-I211 HydrophobicContact CD1-CG2 4.24Å; I121-I211 HydrophobicContact CG1-CG2 4.45Å
122	P	72.4	Confident	85.6	Confident	13 Å²	13	42.6 Å²	42.6	8%	0.084	21%	0.21	C	C	.	.			trans	-52.6	123.1	-177.2	-28.5	35.2	0	0	0	112.3	I146 M176 N179 R181	P122-I146 WeakPolarHBondContact O-CD1 3.5Å; P122-I146 WeakPolarHBondContact O-CG1 3.22Å; P122-M176 HydrophobicContact CB-SD 4.13Å; P122-N179 HydrophobicContact CB-CB 4.34Å; P122-N179 HydrophobicContact CG-CB 3.47Å; P122-N179 VanDerWaalsContact CG-CB 3.47Å; P122-R181 HydrophobicContact CG-CG 4.33Å
123	A	70.4	Confident	85.6	Confident	26 Å²	26	38.3 Å²	38.3	22%	0.215	19%	0.193	C	C	.	.			trans	-139.5	144.7	174.3	0	0	0	0	0	108.3	I121 M127 L144	I121-A123 PolarHBondContact O-N 2.82Å; A123-M127 HydrophobicContact CB-CE 4.18Å; A123-M127 HydrophobicContact CB-CG 4.06Å; A123-M127 HydrophobicContact CB-SD 4.02Å; A123-L144 HydrophobicContact CB-CB 3.98Å; A123-L144 HydrophobicContact CB-CD2 4.01Å
124	F	62.4	Low	85.3	Confident	102 Å²	102	35.6 Å²	35.6	45%	0.447	18%	0.182	S	C	.	.			trans	-104.2	-29.1	-167.8	-82.7	-96.1	0	0	0	114.9	R145 I146 F147 M176	F124-R145 PolarHBondContact N-O 3.26Å; F124-I146 HydrophobicContact CD2-CG2 4.3Å; F124-F147 HydrophobicContact CB-CB 4.43Å; F124-M176 HydrophobicContact CD2-CE 3.8Å; F124-M176 HydrophobicContact CD2-SD 4.19Å; F124-M176 HydrophobicContact CE2-CE 3.19Å; F124-M176 HydrophobicContact CE2-SD 3.45Å; F124-M176 WeakPolarHBondContact CE2-SD 3.28Å; F124-M176 HydrophobicContact CZ-CE 3.88Å; F124-M176 HydrophobicContact CZ-SD 4.35Å
125	F	60.6	Low	85.1	Confident	139 Å²	139	40.8 Å²	40.8	61%	0.61	21%	0.21	S	C	*	.	S	Bend	trans	-145.1	-58	-171.2	-79.8	-91.7	0	0	0	115.1	F147	F125-F147 HydrophobicContact CB-CD2 4.31Å; F125-F147 HydrophobicContact CB-CE2 4.03Å; F125-F147 HydrophobicContact CD1-CE2 4.13Å; F125-F147 AromaticContact CD2-CD2 3.05Å; F125-F147 HydrophobicContact CD2-CD2 3.05Å; F125-F147 AromaticContact CD2-CE2 3.03Å; F125-F147 HydrophobicContact CD2-CE2 3.03Å; F125-F147 HydrophobicContact CD2-CG 4.05Å; F125-F147 HydrophobicContact CD2-CZ 4.04Å; F125-F147 HydrophobicContact CE1-CE2 4.4Å; F125-F147 AromaticContact CE2-CD2 3.49Å; F125-F147 HydrophobicContact CE2-CD2 3.49Å; F125-F147 VanDerWaalsContact CE2-CD2 3.49Å; F125-F147 AromaticContact CE2-CE2 3.4Å; F125-F147 HydrophobicContact CE2-CE2 3.4Å; F125-F147 HydrophobicContact CE2-CG 4.11Å; F125-F147 AromaticContact CE2-CZ 3.98Å; F125-F147 HydrophobicContact CE2-CZ 3.98Å; F125-F147 AromaticContact CG-CD2 3.87Å; F125-F147 HydrophobicContact CG-CD2 3.87Å; F125-F147 AromaticContact CG-CE2 3.46Å; F125-F147 HydrophobicContact CG-CE2 3.46Å; F125-F147 VanDerWaalsContact CG-CE2 3.46Å; F125-F147 HydrophobicContact CG-CZ 4.46Å; F125-F147 HydrophobicContact CZ-CE2 4.08Å; F125-F147 HydrophobicContact CZ-CZ 4.35Å
126	D	64.8	Low	84.8	Confident	82 Å²	82	47.1 Å²	47.1	44%	0.439	24%	0.24	S	C	.	.			trans	-111.9	110.2	-172.1	-65	-25.6	0	0	0	110.7	R145	D126-R145 HydrophobicContact CB-CG 4.44Å; D126-R145 PolarHBondContact O-N 3.21Å; D126-R145 IonicContact OD2-NH1 3.84Å; D126-R145 PolarHBondContact OD2-NH1 2.84Å; D126-R145 VanDerWaalsContact OD2-NH1 3.15Å
127	M	73.3	Confident	84.7	Confident	52 Å²	52	47.1 Å²	47.1	26%	0.256	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	101.9	167.7	-69.8	-173.8	-100.2	0	0	109.1	L103 A123 L144	L103-M127 HydrophobicContact CD2-CE 3.16Å; L103-M127 HydrophobicContact CD2-SD 3.89Å; L103-M127 HydrophobicContact CG-CE 4.46Å; A123-M127 HydrophobicContact CB-CE 4.18Å; A123-M127 HydrophobicContact CB-CG 4.06Å; A123-M127 HydrophobicContact CB-SD 4.02Å; M127-L144 HydrophobicContact CG-CD2 3.67Å; M127-L144 HydrophobicContact SD-CD2 3.58Å; M127-L144 VanDerWaalsContact SD-CD2 3.58Å
128	T	83.1	Confident	84.6	Confident	44 Å²	44	47.1 Å²	47.1	27%	0.27	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.5	165.7	57.8	0	0	0	0	108.1	N143	T128-N143 PolarHBondContact O-N 3.47Å
129	Y	90.8	Very high	84.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	157.9	168.3	70.7	-85.3	0	0	0	111	V76 D78 Q80 I100 T102 I131 I140 K141	V76-Y129 HydrophobicContact CB-CD2 4.43Å; V76-Y129 HydrophobicContact CB-CE1 4.24Å; V76-Y129 HydrophobicContact CB-CE2 3.87Å; V76-Y129 HydrophobicContact CG1-CE1 4.2Å; V76-Y129 HydrophobicContact CG1-CE2 4.27Å; V76-Y129 WeakPolarHBondContact CG1-OH 3.38Å; V76-Y129 HydrophobicContact CG2-CE2 4.35Å; V76-Y129 PolarHBondContact N-O 3.42Å; V76-Y129 PolarHBondContact O-N 3.44Å; V76-Y129 VanDerWaalsContact O-O 3.08Å; D78-Y129 WeakPolarHBondContact O-CE1 3.46Å; D78-Y129 PolarHBondContact O-OH 3.22Å; Q80-Y129 WeakPolarHBondContact CG-OH 3.34Å; I100-Y129 HydrophobicContact CB-CE2 4.38Å; I100-Y129 HydrophobicContact CG2-CD2 4.08Å; I100-Y129 HydrophobicContact CG2-CE1 4.43Å; I100-Y129 HydrophobicContact CG2-CE2 3.59Å; T102-Y129 HydrophobicContact CG2-CE1 4.15Å; Y129-I131 HydrophobicContact CE2-CB 4.48Å; Y129-I140 HydrophobicContact CD2-CG2 3.83Å; Y129-I140 HydrophobicContact CG-CG2 4.37Å; Y129-K141 CarbonylContact C-O 3.43Å; Y129-K141 WeakPolarHBondContact CA-O 3.21Å; Y129-K141 WeakPolarHBondContact CB-O 3.26Å
130	E	93.1	Very high	84.8	Confident	36 Å²	36	44.4 Å²	44.4	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.2	175	-45.9	162.9	68.3	0	0	108.2	F73 K74 I140 K141 N143	F73-E130 HydrophobicContact CB-CB 3.62Å; F73-E130 HydrophobicContact CD1-CB 3.88Å; F73-E130 HydrophobicContact CG-CB 4.09Å; K74-E130 CarbonylContact O-C 3.51Å; K74-E130 VanDerWaalsContact O-CA 3.27Å; K74-E130 WeakPolarHBondContact O-CA 3.4Å; E130-I140 WeakPolarHBondContact O-CA 3.42Å; E130-K141 PolarHBondContact N-O 3.21Å; E130-K141 PolarHBondContact O-N 3.13Å; E130-K141 IonicContact OE1-NZ 3.9Å; E130-K141 PolarHBondContact OE1-NZ 3.23Å; E130-K141 WeakPolarHBondContact OE2-CE 3.19Å; E130-K141 IonicContact OE2-NZ 3.6Å; E130-K141 PolarHBondContact OE2-NZ 3.15Å; E130-N143 PolarHBondContact OE2-ND2 3.24Å
131	I	94.2	Very high	85.1	Confident	22 Å²	22	42.8 Å²	42.8	11%	0.113	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.5	-179	-169.8	175.6	0	0	0	111	K74 V76 V82 I100 Y129 A139 I140	K74-I131 HydrophobicContact CB-CG2 4.34Å; K74-I131 PolarHBondContact N-O 2.88Å; K74-I131 PolarHBondContact O-N 3.24Å; V76-I131 HydrophobicContact CG2-CG2 3.8Å; V82-I131 HydrophobicContact CG2-CD1 3.6Å; I100-I131 HydrophobicContact CD1-CD1 3.39Å; I100-I131 HydrophobicContact CD1-CG1 4.32Å; Y129-I131 HydrophobicContact CE2-CB 4.48Å; I131-A139 CarbonylContact C-O 3.57Å; I131-A139 WeakPolarHBondContact CA-O 3.45Å; I131-I140 HydrophobicContact CG1-CG1 4.49Å
132	L	94.4	Very high	85.6	Confident	14 Å²	14	42.4 Å²	42.4	7%	0.073	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.3	165.1	169.4	65.4	0	0	0	107.7	I69 D71 F73 L137 I138 A139	I69-L132 HydrophobicContact CG2-CD2 3.24Å; D71-L132 HydrophobicContact CB-CD1 3.42Å; D71-L132 VanDerWaalsContact CB-CD1 3.42Å; D71-L132 HydrophobicContact CB-CD2 3.76Å; D71-L132 HydrophobicContact CB-CG 4.23Å; F73-L132 HydrophobicContact CD1-CB 3.92Å; F73-L132 HydrophobicContact CE1-CB 4.01Å; F73-L132 HydrophobicContact CG-CB 4.29Å; F73-L132 HydrophobicContact CZ-CB 4.45Å; L132-L137 HydrophobicContact CD2-CD1 3.76Å; L132-L137 HydrophobicContact CG-CD1 4.16Å; L132-I138 CarbonylContact O-C 3.48Å; L132-I138 VanDerWaalsContact O-CA 3.27Å; L132-I138 WeakPolarHBondContact O-CA 3.48Å; L132-A139 HydrophobicContact CB-CB 4.3Å; L132-A139 PolarHBondContact N-O 3.38Å; L132-A139 PolarHBondContact O-N 3.07Å
133	D	93	Very high	86.4	Confident	35 Å²	35	43 Å²	43	19%	0.187	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	111.1	176.6	165.6	34.5	0	0	0	108.6	K85 I138	K85-D133 WeakPolarHBondContact CE-O 3.19Å; K85-D133 WeakPolarHBondContact CE-OD2 3.48Å; K85-D133 PolarHBondContact NZ-O 2.89Å; D133-I138 HydrophobicContact CB-CG1 4.29Å; D133-I138 WeakPolarHBondContact OD1-CG1 3.48Å
134	N	92.1	Very high	87	Confident	23 Å²	23	42.1 Å²	42.1	12%	0.123	21%	0.207	C	C	.	.			trans	-136.1	-177.9	177.9	71.2	21.2	0	0	0	110	D71 F86 Q136 L137	D71-N134 PolarHBondContact OD2-ND2 3.29Å; F86-N134 WeakPolarHBondContact CD1-O 3.37Å; N134-Q136 PolarHBondContact O-N 3.11Å; N134-Q136 VanDerWaalsContact O-N 3.17Å; N134-Q136 WeakPolarHBondContact OD1-CA 3.44Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.07Å; N134-Q136 PolarHBondContact OD1-N 3.37Å; N134-L137 PolarHBondContact N-O 3.3Å; N134-L137 PolarHBondContact OD1-N 3.41Å; N134-L137 PolarHBondContact OD1-O 3.13Å
135	N	92.1	Very high	87.7	Confident	117 Å²	117	42.6 Å²	42.6	63%	0.626	21%	0.206	S	C	*	.	S	Bend	trans	-71.1	-8.1	-178.2	-63.1	-9.9	0	0	0	113.8	K85	K85-N135 WeakPolarHBondContact CB-OD1 3.39Å
136	Q	92.8	Very high	88.1	Confident	133 Å²	133	36.3 Å²	36.3	62%	0.621	18%	0.179	S	C	*	.	S	Bend	trans	-104.4	-30.5	-175.5	-60.4	-178	-11.6	0	0	113	N134 P161	N134-Q136 PolarHBondContact O-N 3.11Å; N134-Q136 VanDerWaalsContact O-N 3.17Å; N134-Q136 WeakPolarHBondContact OD1-CA 3.44Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.07Å; N134-Q136 PolarHBondContact OD1-N 3.37Å; Q136-P161 WeakPolarHBondContact O-CD 3.47Å
137	L	95.4	Very high	87.7	Confident	21 Å²	21	39.2 Å²	39.2	11%	0.11	19%	0.188	C	C	.	.			trans	-166.5	163.7	-179.8	59	83.4	0	0	0	112.4	L132 N134 A139 V158 I159	L132-L137 HydrophobicContact CD2-CD1 3.76Å; L132-L137 HydrophobicContact CG-CD1 4.16Å; N134-L137 PolarHBondContact N-O 3.3Å; N134-L137 PolarHBondContact OD1-N 3.41Å; N134-L137 PolarHBondContact OD1-O 3.13Å; L137-A139 HydrophobicContact CD1-CB 3.82Å; L137-V158 HydrophobicContact CB-CG1 4.04Å; L137-V158 HydrophobicContact CD1-CG1 4.39Å; L137-V158 HydrophobicContact CD2-CG1 4.14Å; L137-V158 HydrophobicContact CG-CG1 4.44Å; L137-I159 CarbonylContact C-O 3.59Å; L137-I159 VanDerWaalsContact CA-O 3.24Å; L137-I159 WeakPolarHBondContact CA-O 3.04Å; L137-I159 WeakPolarHBondContact CB-O 3.32Å
138	I	95.9	Very high	87.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.7	162.1	-59.2	169	0	0	0	107	P84 F86 L98 L132 D133 I140 V158 I159	P84-I138 HydrophobicContact CB-CD1 3.81Å; P84-I138 HydrophobicContact CG-CD1 4.01Å; F86-I138 HydrophobicContact CE1-CD1 4.23Å; F86-I138 HydrophobicContact CE1-CG1 3.79Å; F86-I138 HydrophobicContact CZ-CD1 4Å; F86-I138 HydrophobicContact CZ-CG1 3.82Å; L98-I138 HydrophobicContact CD1-CD1 3.77Å; L132-I138 CarbonylContact O-C 3.48Å; L132-I138 VanDerWaalsContact O-CA 3.27Å; L132-I138 WeakPolarHBondContact O-CA 3.48Å; D133-I138 HydrophobicContact CB-CG1 4.29Å; D133-I138 WeakPolarHBondContact OD1-CG1 3.48Å; I138-I140 HydrophobicContact CG2-CD1 3.67Å; I138-V158 CarbonylContact O-C 3.59Å; I138-V158 WeakPolarHBondContact O-CA 3.39Å; I138-I159 HydrophobicContact CB-CB 4.46Å; I138-I159 PolarHBondContact N-O 2.98Å; I138-I159 PolarHBondContact O-N 3.1Å
139	A	96.4	Very high	86	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.8	174.8	0	0	0	0	0	111	I69 F73 I131 L132 L137 S157 V158	I69-A139 HydrophobicContact CD1-CB 4.04Å; F73-A139 HydrophobicContact CE1-CB 3.84Å; F73-A139 HydrophobicContact CZ-CB 3.99Å; I131-A139 CarbonylContact C-O 3.57Å; I131-A139 WeakPolarHBondContact CA-O 3.45Å; L132-A139 HydrophobicContact CB-CB 4.3Å; L132-A139 PolarHBondContact N-O 3.38Å; L132-A139 PolarHBondContact O-N 3.07Å; L137-A139 HydrophobicContact CD1-CB 3.82Å; A139-S157 CarbonylContact C-O 3.55Å; A139-S157 VanDerWaalsContact CA-O 3.29Å; A139-S157 WeakPolarHBondContact CA-O 3.45Å; A139-V158 HydrophobicContact CB-CG2 4.07Å
140	I	95.3	Very high	84.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123	176	-56	80.7	0	0	0	107.1	I100 I106 Y129 E130 I131 I138 W142 T156 S157	I100-I140 HydrophobicContact CD1-CD1 4.3Å; I100-I140 HydrophobicContact CD1-CG1 3.74Å; I100-I140 HydrophobicContact CG1-CG1 4.33Å; I100-I140 HydrophobicContact CG2-CG1 4.36Å; I100-I140 HydrophobicContact CG2-CG2 4.02Å; I106-I140 HydrophobicContact CD1-CD1 3.68Å; I106-I140 HydrophobicContact CD1-CG1 4.16Å; Y129-I140 HydrophobicContact CD2-CG2 3.83Å; Y129-I140 HydrophobicContact CG-CG2 4.37Å; E130-I140 WeakPolarHBondContact O-CA 3.42Å; I131-I140 HydrophobicContact CG1-CG1 4.49Å; I138-I140 HydrophobicContact CG2-CD1 3.67Å; I140-W142 HydrophobicContact CB-CE3 4.42Å; I140-W142 HydrophobicContact CB-CH2 3.8Å; I140-W142 HydrophobicContact CB-CZ2 4.21Å; I140-W142 HydrophobicContact CB-CZ3 3.91Å; I140-W142 HydrophobicContact CG2-CD2 3.84Å; I140-W142 HydrophobicContact CG2-CE3 3.89Å; I140-W142 HydrophobicContact CG2-CH2 3.52Å; I140-W142 HydrophobicContact CG2-CZ2 3.43Å; I140-W142 VanDerWaalsContact CG2-CZ2 3.43Å; I140-W142 HydrophobicContact CG2-CZ3 3.73Å; I140-T156 CarbonylContact O-C 3.46Å; I140-T156 VanDerWaalsContact O-CA 3.29Å; I140-T156 WeakPolarHBondContact O-CA 3.36Å; I140-S157 PolarHBondContact N-O 2.8Å; I140-S157 PolarHBondContact O-N 2.95Å
141	K	94	Very high	83.5	Confident	29 Å²	29	53 Å²	53	13%	0.126	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	108.6	-180	172.1	176	37.4	143.7	0	108.9	F73 Y129 E130 V155 T156	F73-K141 HydrophobicContact CD1-CB 4.43Å; F73-K141 HydrophobicContact CE1-CB 4.01Å; Y129-K141 CarbonylContact C-O 3.43Å; Y129-K141 WeakPolarHBondContact CA-O 3.21Å; Y129-K141 WeakPolarHBondContact CB-O 3.26Å; E130-K141 PolarHBondContact N-O 3.21Å; E130-K141 PolarHBondContact O-N 3.13Å; E130-K141 IonicContact OE1-NZ 3.9Å; E130-K141 PolarHBondContact OE1-NZ 3.23Å; E130-K141 WeakPolarHBondContact OE2-CE 3.19Å; E130-K141 IonicContact OE2-NZ 3.6Å; E130-K141 PolarHBondContact OE2-NZ 3.15Å; K141-V155 CarbonylContact C-O 3.56Å; K141-V155 WeakPolarHBondContact CA-O 3.49Å; K141-T156 HydrophobicContact CB-CG2 4.46Å
142	W	92	Very high	82.7	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.6	173	-66.1	-94.1	0	0	0	109.7	I100 G101 I106 H119 I140 L144 K154 V155	I100-W142 HydrophobicContact CG2-CZ2 4.17Å; G101-W142 PolarHBondContact O-NE1 2.76Å; I106-W142 HydrophobicContact CD1-CH2 3.72Å; I106-W142 HydrophobicContact CD1-CZ2 4.44Å; I106-W142 HydrophobicContact CG1-CH2 3.69Å; I106-W142 HydrophobicContact CG1-CZ2 3.97Å; H119-W142 AromaticContact CD2-CE3 3.84Å; H119-W142 AromaticContact CD2-CH2 3.88Å; H119-W142 AromaticContact CD2-CZ3 3.44Å; H119-W142 VanDerWaalsContact CD2-CZ3 3.44Å; H119-W142 WeakPolarHBondContact CD2-CZ3 3.47Å; H119-W142 AromaticContact NE2-CZ3 3.53Å; I140-W142 HydrophobicContact CB-CE3 4.42Å; I140-W142 HydrophobicContact CB-CH2 3.8Å; I140-W142 HydrophobicContact CB-CZ2 4.21Å; I140-W142 HydrophobicContact CB-CZ3 3.91Å; I140-W142 HydrophobicContact CG2-CD2 3.84Å; I140-W142 HydrophobicContact CG2-CE3 3.89Å; I140-W142 HydrophobicContact CG2-CH2 3.52Å; I140-W142 HydrophobicContact CG2-CZ2 3.43Å; I140-W142 VanDerWaalsContact CG2-CZ2 3.43Å; I140-W142 HydrophobicContact CG2-CZ3 3.73Å; W142-L144 HydrophobicContact CB-CD2 4.38Å; W142-K154 VanDerWaalsContact O-CA 3.25Å; W142-K154 WeakPolarHBondContact O-CA 3.24Å; W142-V155 PolarHBondContact N-O 2.69Å; W142-V155 PolarHBondContact O-N 2.88Å
143	N	88.1	Confident	82.4	Confident	25 Å²	25	56.6 Å²	56.6	13%	0.134	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	109	172.5	-64.6	-71.5	0	0	0	108	T128 E130 K154	T128-N143 PolarHBondContact O-N 3.47Å; E130-N143 PolarHBondContact OE2-ND2 3.24Å; N143-K154 WeakPolarHBondContact OD1-CD 3.16Å; N143-K154 WeakPolarHBondContact OD1-CG 3.39Å
144	L	83.1	Confident	82.3	Confident	8 Å²	8	57.3 Å²	57.3	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.7	-176.1	-54.8	172.2	0	0	0	109.2	I121 A123 M127 W142 K152 S153 V155	I121-L144 HydrophobicContact CB-CD1 3.59Å; I121-L144 HydrophobicContact CD1-CD1 4.28Å; I121-L144 HydrophobicContact CG2-CD1 3.51Å; A123-L144 HydrophobicContact CB-CB 3.98Å; A123-L144 HydrophobicContact CB-CD2 4.01Å; M127-L144 HydrophobicContact CG-CD2 3.67Å; M127-L144 HydrophobicContact SD-CD2 3.58Å; M127-L144 VanDerWaalsContact SD-CD2 3.58Å; W142-L144 HydrophobicContact CB-CD2 4.38Å; L144-K152 WeakPolarHBondContact O-CA 3.3Å; L144-S153 WeakPolarHBondContact CA-O 3.29Å; L144-S153 WeakPolarHBondContact CB-O 3.29Å; L144-S153 PolarHBondContact N-O 2.98Å; L144-S153 PolarHBondContact O-N 3.34Å; L144-V155 HydrophobicContact CD1-CG2 4.49Å
145	R	77.5	Confident	82.3	Confident	113 Å²	113	56.2 Å²	56.2	43%	0.426	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.6	176.3	-63	-169.8	-173.4	167.3	-6.4	111.9	F124 D126 K152	F124-R145 PolarHBondContact N-O 3.26Å; D126-R145 HydrophobicContact CB-CG 4.44Å; D126-R145 PolarHBondContact O-N 3.21Å; D126-R145 IonicContact OD2-NH1 3.84Å; D126-R145 PolarHBondContact OD2-NH1 2.84Å; D126-R145 VanDerWaalsContact OD2-NH1 3.15Å; R145-K152 HydrophobicContact CG-CG 4.4Å
146	I	68.6	Low	82.5	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.7	176.6	-62	171.7	0	0	0	109.4	P122 F124 V148 L151 T173 M176	P122-I146 WeakPolarHBondContact O-CD1 3.5Å; P122-I146 WeakPolarHBondContact O-CG1 3.22Å; F124-I146 HydrophobicContact CD2-CG2 4.3Å; I146-V148 VanDerWaalsContact C-N 3.33Å; I146-V148 PolarHBondContact O-N 2.88Å; I146-L151 PolarHBondContact N-O 2.03Å; I146-L151 VanDerWaalsContact N-O 3.13Å; I146-T173 HydrophobicContact CD1-CG2 4.18Å; I146-T173 VanDerWaalsContact CD1-OG1 3.25Å; I146-T173 WeakPolarHBondContact CD1-OG1 3.45Å; I146-M176 HydrophobicContact CD1-SD 4.2Å; I146-M176 HydrophobicContact CG1-SD 4.5Å; I146-M176 HydrophobicContact CG2-CE 3.18Å; I146-M176 HydrophobicContact CG2-SD 3.71Å
147	F	56.8	Low	82.7	Confident	143 Å²	143	44.3 Å²	44.3	63%	0.627	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.6	-166.8	-126.6	-104.9	0	0	0	115.1	F124 F125 N149	F124-F147 HydrophobicContact CB-CB 4.43Å; F125-F147 HydrophobicContact CB-CD2 4.31Å; F125-F147 HydrophobicContact CB-CE2 4.03Å; F125-F147 HydrophobicContact CD1-CE2 4.13Å; F125-F147 AromaticContact CD2-CD2 3.05Å; F125-F147 HydrophobicContact CD2-CD2 3.05Å; F125-F147 AromaticContact CD2-CE2 3.03Å; F125-F147 HydrophobicContact CD2-CE2 3.03Å; F125-F147 HydrophobicContact CD2-CG 4.05Å; F125-F147 HydrophobicContact CD2-CZ 4.04Å; F125-F147 HydrophobicContact CE1-CE2 4.4Å; F125-F147 AromaticContact CE2-CD2 3.49Å; F125-F147 HydrophobicContact CE2-CD2 3.49Å; F125-F147 VanDerWaalsContact CE2-CD2 3.49Å; F125-F147 AromaticContact CE2-CE2 3.4Å; F125-F147 HydrophobicContact CE2-CE2 3.4Å; F125-F147 HydrophobicContact CE2-CG 4.11Å; F125-F147 AromaticContact CE2-CZ 3.98Å; F125-F147 HydrophobicContact CE2-CZ 3.98Å; F125-F147 AromaticContact CG-CD2 3.87Å; F125-F147 HydrophobicContact CG-CD2 3.87Å; F125-F147 AromaticContact CG-CE2 3.46Å; F125-F147 HydrophobicContact CG-CE2 3.46Å; F125-F147 VanDerWaalsContact CG-CE2 3.46Å; F125-F147 HydrophobicContact CG-CZ 4.46Å; F125-F147 HydrophobicContact CZ-CE2 4.08Å; F125-F147 HydrophobicContact CZ-CZ 4.35Å; F147-N149 VanDerWaalsContact C-N 3.3Å; F147-N149 PolarHBondContact O-N 3.08Å
148	V	60.5	Low	82.7	Confident	98 Å²	98	43.7 Å²	43.7	59%	0.594	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.1	-166.5	-175.8	0	0	0	0	112	I146 M176	I146-V148 VanDerWaalsContact C-N 3.33Å; I146-V148 PolarHBondContact O-N 2.88Å; V148-M176 HydrophobicContact CG2-CE 4.04Å
149	N	60.2	Low	82.8	Confident	89 Å²	89	43.7 Å²	43.7	48%	0.476	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.9	18.2	-169.2	-76.9	-33.2	0	0	0	114.1	F147 L151 E175	F147-N149 VanDerWaalsContact C-N 3.3Å; F147-N149 PolarHBondContact O-N 3.08Å; N149-L151 HydrophobicContact CB-CD1 3.64Å; N149-L151 HydrophobicContact CB-CG 3.62Å; N149-L151 PolarHBondContact O-N 2.77Å; N149-E175 PolarHBondContact ND2-OE1 3.33Å; N149-E175 PolarHBondContact ND2-OE2 3.28Å
150	E	65.4	Low	82.8	Confident	171 Å²	171	45.7 Å²	45.7	80%	0.799	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	19.5	-167.8	-58.8	-167.6	161.7	0	0	114.2	K152	E150-K152 PolarHBondContact O-N 3.05Å
151	L	65.6	Low	82.8	Confident	65 Å²	65	48.2 Å²	48.2	34%	0.34	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.3	-178.1	-69.2	167	0	0	0	109.4	I146 N149 T173	I146-L151 PolarHBondContact N-O 2.03Å; I146-L151 VanDerWaalsContact N-O 3.13Å; N149-L151 HydrophobicContact CB-CD1 3.64Å; N149-L151 HydrophobicContact CB-CG 3.62Å; N149-L151 PolarHBondContact O-N 2.77Å; L151-T173 HydrophobicContact CB-CG2 3.39Å; L151-T173 HydrophobicContact CD1-CG2 3.56Å; L151-T173 HydrophobicContact CG-CG2 4Å
152	K	78.3	Confident	82.8	Confident	109 Å²	109	51 Å²	51	47%	0.474	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.9	179.7	-63.7	178.1	-174.8	169.8	0	108	L144 R145 E150 S171	L144-K152 WeakPolarHBondContact O-CA 3.3Å; R145-K152 HydrophobicContact CG-CG 4.4Å; E150-K152 PolarHBondContact O-N 3.05Å; K152-S171 WeakPolarHBondContact O-CB 3.44Å
153	S	86.8	Confident	82.9	Confident	1 Å²	1	51 Å²	51	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	139.1	165.5	-67.3	0	0	0	0	108.7	L144 S171 I172 T173	L144-S153 WeakPolarHBondContact CA-O 3.29Å; L144-S153 WeakPolarHBondContact CB-O 3.29Å; L144-S153 PolarHBondContact N-O 2.98Å; L144-S153 PolarHBondContact O-N 3.34Å; S153-S171 WeakPolarHBondContact CA-O 3.34Å; S153-S171 PolarHBondContact OG-O 2.87Å; S153-I172 WeakPolarHBondContact OG-CA 3.21Å; S153-T173 PolarHBondContact OG-N 3.03Å
154	K	90.5	Very high	83.3	Confident	50 Å²	50	52.2 Å²	52.2	22%	0.217	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.7	175.2	-43.8	177.9	-165.8	148.3	0	110.5	W142 N143 E170	W142-K154 VanDerWaalsContact O-CA 3.25Å; W142-K154 WeakPolarHBondContact O-CA 3.24Å; N143-K154 WeakPolarHBondContact OD1-CD 3.16Å; N143-K154 WeakPolarHBondContact OD1-CG 3.39Å; K154-E170 HydrophobicContact CB-CB 4.17Å; K154-E170 PolarHBondContact N-O 3.13Å; K154-E170 IonicContact NZ-OE1 2.99Å; K154-E170 PolarHBondContact NZ-OE1 2.91Å; K154-E170 IonicContact NZ-OE2 2.7Å; K154-E170 PolarHBondContact O-N 3.34Å
155	V	93.3	Very high	84.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.8	172.5	-179.5	0	0	0	0	109	I121 K141 W142 L144 Y168 Y169 I172	I121-V155 HydrophobicContact CD1-CB 4.41Å; I121-V155 HydrophobicContact CD1-CG2 3.14Å; K141-V155 CarbonylContact C-O 3.56Å; K141-V155 WeakPolarHBondContact CA-O 3.49Å; W142-V155 PolarHBondContact N-O 2.69Å; W142-V155 PolarHBondContact O-N 2.88Å; L144-V155 HydrophobicContact CD1-CG2 4.49Å; V155-Y168 WeakPolarHBondContact CA-O 3.47Å; V155-Y169 HydrophobicContact CG1-CD1 4.15Å; V155-Y169 HydrophobicContact CG1-CE1 4.04Å; V155-Y169 HydrophobicContact CG2-CD1 3.72Å; V155-Y169 HydrophobicContact CG2-CE1 4.11Å; V155-I172 HydrophobicContact CG2-CD1 4.35Å
156	T	95.2	Very high	85	Confident	1 Å²	1	47 Å²	47	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.7	176.2	-57.3	0	0	0	0	109.3	Y66 I69 I140 K141 V158 F167 Y168	Y66-T156 PolarHBondContact OH-OG1 3.34Å; I69-T156 HydrophobicContact CD1-CG2 4.16Å; I140-T156 CarbonylContact O-C 3.46Å; I140-T156 VanDerWaalsContact O-CA 3.29Å; I140-T156 WeakPolarHBondContact O-CA 3.36Å; K141-T156 HydrophobicContact CB-CG2 4.46Å; T156-V158 HydrophobicContact CG2-CG2 3.91Å; T156-F167 CarbonylContact O-C 3.55Å; T156-F167 VanDerWaalsContact O-CA 3.32Å; T156-F167 WeakPolarHBondContact O-CA 3.04Å; T156-Y168 PolarHBondContact N-O 3.07Å; T156-Y168 PolarHBondContact O-N 2.89Å
157	S	96.9	Very high	86.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.1	165.6	-86.3	0	0	0	0	110.2	H119 A139 I140 S166 F167	H119-S157 PolarHBondContact CE1-OG 3.27Å; H119-S157 PolarHBondContact NE2-OG 3.11Å; A139-S157 CarbonylContact C-O 3.55Å; A139-S157 VanDerWaalsContact CA-O 3.29Å; A139-S157 WeakPolarHBondContact CA-O 3.45Å; I140-S157 PolarHBondContact N-O 2.8Å; I140-S157 PolarHBondContact O-N 2.95Å; S157-S166 CarbonylContact C-O 3.54Å; S157-S166 VanDerWaalsContact CA-O 3.3Å; S157-S166 WeakPolarHBondContact CA-O 3.49Å; S157-F167 WeakPolarHBondContact OG-CD1 3.28Å; S157-F167 VanDerWaalsContact OG-CE1 3.26Å; S157-F167 WeakPolarHBondContact OG-CE1 3.33Å
158	V	97	Very high	88.3	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.1	176.9	-172.1	0	0	0	0	109.7	I69 L137 I138 A139 T156 I165 S166	I69-V158 HydrophobicContact CD1-CG2 4.15Å; L137-V158 HydrophobicContact CB-CG1 4.04Å; L137-V158 HydrophobicContact CD1-CG1 4.39Å; L137-V158 HydrophobicContact CD2-CG1 4.14Å; L137-V158 HydrophobicContact CG-CG1 4.44Å; I138-V158 CarbonylContact O-C 3.59Å; I138-V158 WeakPolarHBondContact O-CA 3.39Å; A139-V158 HydrophobicContact CB-CG2 4.07Å; T156-V158 HydrophobicContact CG2-CG2 3.91Å; V158-I165 CarbonylContact O-C 3.56Å; V158-I165 VanDerWaalsContact O-CA 3.26Å; V158-I165 WeakPolarHBondContact O-CA 3.44Å; V158-S166 PolarHBondContact N-O 3.32Å; V158-S166 PolarHBondContact O-N 2.89Å
159	I	97.6	Very high	90	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.3	176.3	-55.2	175.4	0	0	0	108.2	F88 L98 I117 L137 I138 I165	F88-I159 HydrophobicContact CD2-CG2 4Å; F88-I159 HydrophobicContact CE1-CG2 4.24Å; F88-I159 HydrophobicContact CE2-CG2 3.65Å; F88-I159 HydrophobicContact CG-CG2 4.44Å; F88-I159 HydrophobicContact CZ-CG2 3.77Å; L98-I159 HydrophobicContact CD1-CD1 4.02Å; I117-I159 HydrophobicContact CD1-CD1 4.24Å; L137-I159 CarbonylContact C-O 3.59Å; L137-I159 VanDerWaalsContact CA-O 3.24Å; L137-I159 WeakPolarHBondContact CA-O 3.04Å; L137-I159 WeakPolarHBondContact CB-O 3.32Å; I138-I159 HydrophobicContact CB-CB 4.46Å; I138-I159 PolarHBondContact N-O 2.98Å; I138-I159 PolarHBondContact O-N 3.1Å; I159-I165 HydrophobicContact CG1-CG1 4.41Å
160	H	96.2	Very high	91.5	Very high	43 Å²	43	33.5 Å²	33.5	20%	0.199	17%	0.171	C	C	.	.			trans	-108	158.5	178.6	-66.3	-83.9	0	0	0	112.3	S162 G163 K164	H160-S162 PolarHBondContact O-N 2.69Å; H160-S162 VanDerWaalsContact O-N 3.11Å; H160-G163 PolarHBondContact O-N 3.08Å; H160-K164 HydrophobicContact CB-CB 4.25Å; H160-K164 WeakPolarHBondContact CD2-CE 3.35Å; H160-K164 PolarHBondContact N-O 3.25Å; H160-K164 WeakPolarHBondContact NE2-CE 3.35Å
161	P	95.6	Very high	92.6	Very high	53 Å²	53	28.3 Å²	28.3	34%	0.344	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.5	173.6	-26.6	31.5	0	0	0	114.5	F86 F88 Q136 G163	F86-P161 HydrophobicContact CB-CB 4.38Å; F86-P161 HydrophobicContact CB-CG 4.16Å; F86-P161 HydrophobicContact CD1-CG 4.05Å; F86-P161 VanDerWaalsContact CD2-CA 3.5Å; F86-P161 HydrophobicContact CD2-CB 3.86Å; F86-P161 HydrophobicContact CD2-CG 3.78Å; F86-P161 HydrophobicContact CE1-CG 4.38Å; F86-P161 HydrophobicContact CE2-CB 4.38Å; F86-P161 HydrophobicContact CE2-CG 4.13Å; F86-P161 HydrophobicContact CG-CB 4.16Å; F86-P161 HydrophobicContact CG-CG 3.73Å; F86-P161 HydrophobicContact CZ-CG 4.42Å; F88-P161 WeakPolarHBondContact CB-O 3.37Å; Q136-P161 WeakPolarHBondContact O-CD 3.47Å; P161-G163 PolarHBondContact O-N 3.49Å; P161-G163 VanDerWaalsContact O-N 3.15Å
162	S	94.1	Very high	93.6	Very high	87 Å²	87	25.8 Å²	25.8	61%	0.608	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-4.3	175.3	60.9	0	0	0	0	114.3	H160 K164	H160-S162 PolarHBondContact O-N 2.69Å; H160-S162 VanDerWaalsContact O-N 3.11Å; S162-K164 PolarHBondContact O-N 3.06Å; S162-K164 WeakPolarHBondContact OG-CB 3.39Å; S162-K164 PolarHBondContact OG-N 3.21Å
163	G	94.8	Very high	93.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	12%	0.121	C	C	.	.	S	Bend	trans	78.6	1.8	-170.4	0	0	0	0	0	113.7	H160 P161 I165 P221	H160-G163 PolarHBondContact O-N 3.08Å; P161-G163 PolarHBondContact O-N 3.49Å; P161-G163 VanDerWaalsContact O-N 3.15Å; G163-I165 PolarHBondContact O-N 3.28Å; G163-P221 VanDerWaalsContact C-CG 3.46Å; G163-P221 WeakPolarHBondContact O-CD 3.36Å; G163-P221 WeakPolarHBondContact O-CG 3.46Å
164	K	96.4	Very high	92.9	Very high	52 Å²	52	26.7 Å²	26.7	23%	0.226	16%	0.155	C	C	.	.			trans	-63.5	131.4	171.3	-173.9	-178.3	81.7	160.1	0	109.9	H160 S162 E218 F219 V220	H160-K164 HydrophobicContact CB-CB 4.25Å; H160-K164 WeakPolarHBondContact CD2-CE 3.35Å; H160-K164 PolarHBondContact N-O 3.25Å; H160-K164 WeakPolarHBondContact NE2-CE 3.35Å; S162-K164 PolarHBondContact O-N 3.06Å; S162-K164 WeakPolarHBondContact OG-CB 3.39Å; S162-K164 PolarHBondContact OG-N 3.21Å; K164-E218 IonicContact NZ-OE1 3.86Å; K164-E218 PolarHBondContact NZ-OE1 2.97Å; K164-F219 WeakPolarHBondContact CA-O 3.45Å; K164-F219 WeakPolarHBondContact CG-O 3.25Å; K164-V220 HydrophobicContact CD-CG2 4.28Å; K164-V220 HydrophobicContact CG-CG2 4.14Å
165	I	98.1	Very high	91.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139	173.7	-59.2	165.2	0	0	0	108.2	Y90 I117 V158 I159 G163 F167 E218 F219	Y90-I165 HydrophobicContact CD2-CD1 3.84Å; Y90-I165 HydrophobicContact CE2-CD1 3.59Å; I117-I165 HydrophobicContact CD1-CD1 4.26Å; I117-I165 HydrophobicContact CD1-CG2 4.04Å; V158-I165 CarbonylContact O-C 3.56Å; V158-I165 VanDerWaalsContact O-CA 3.26Å; V158-I165 WeakPolarHBondContact O-CA 3.44Å; I159-I165 HydrophobicContact CG1-CG1 4.41Å; G163-I165 PolarHBondContact O-N 3.28Å; I165-F167 HydrophobicContact CG2-CD1 4.23Å; I165-F167 HydrophobicContact CG2-CE1 3.6Å; I165-F167 HydrophobicContact CG2-CZ 4.33Å; I165-E218 CarbonylContact O-C 3.5Å; I165-E218 WeakPolarHBondContact O-CA 3.29Å; I165-F219 HydrophobicContact CB-CB 4.28Å; I165-F219 HydrophobicContact CB-CD2 4.22Å; I165-F219 HydrophobicContact CG2-CD2 4.19Å; I165-F219 PolarHBondContact N-O 3.36Å; I165-F219 PolarHBondContact O-N 3.28Å
166	S	97.8	Very high	90	Very high	9 Å²	9	30.8 Å²	30.8	6%	0.063	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.1	177.4	-57.6	0	0	0	0	111.2	S157 V158 V217	S157-S166 CarbonylContact C-O 3.54Å; S157-S166 VanDerWaalsContact CA-O 3.3Å; S157-S166 WeakPolarHBondContact CA-O 3.49Å; V158-S166 PolarHBondContact N-O 3.32Å; V158-S166 PolarHBondContact O-N 2.89Å; S166-V217 CarbonylContact C-O 3.52Å; S166-V217 WeakPolarHBondContact CA-O 3.31Å
167	F	97.8	Very high	88.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.7	170.2	-52.5	-24.6	0	0	0	109.1	I117 H119 T156 S157 I165 Y169 I185 V206 L216 V217 F219	I117-F167 HydrophobicContact CG2-CE1 3.65Å; I117-F167 HydrophobicContact CG2-CZ 3.56Å; H119-F167 AromaticContact CE1-CD1 3.71Å; H119-F167 AromaticContact CE1-CD2 3.89Å; H119-F167 AromaticContact CE1-CE1 3.82Å; H119-F167 AromaticContact CE1-CE2 3.97Å; H119-F167 AromaticContact CE1-CG 3.77Å; H119-F167 AromaticContact CE1-CZ 3.95Å; T156-F167 CarbonylContact O-C 3.55Å; T156-F167 VanDerWaalsContact O-CA 3.32Å; T156-F167 WeakPolarHBondContact O-CA 3.04Å; S157-F167 WeakPolarHBondContact OG-CD1 3.28Å; S157-F167 VanDerWaalsContact OG-CE1 3.26Å; S157-F167 WeakPolarHBondContact OG-CE1 3.33Å; I165-F167 HydrophobicContact CG2-CD1 4.23Å; I165-F167 HydrophobicContact CG2-CE1 3.6Å; I165-F167 HydrophobicContact CG2-CZ 4.33Å; F167-Y169 HydrophobicContact CB-CE2 4.41Å; F167-I185 HydrophobicContact CE1-CG2 4.39Å; F167-I185 HydrophobicContact CE2-CG2 4.27Å; F167-I185 HydrophobicContact CZ-CG2 3.54Å; F167-V206 HydrophobicContact CD2-CG2 4.13Å; F167-V206 HydrophobicContact CE2-CG2 4.35Å; F167-L216 WeakPolarHBondContact O-CA 3.36Å; F167-V217 HydrophobicContact CB-CB 4.23Å; F167-V217 PolarHBondContact N-O 3.21Å; F167-V217 PolarHBondContact O-N 3.49Å; F167-F219 HydrophobicContact CD1-CE2 4.36Å; F167-F219 AromaticContact CD2-CE2 3.57Å; F167-F219 HydrophobicContact CD2-CE2 3.57Å; F167-F219 HydrophobicContact CD2-CZ 4.03Å; F167-F219 HydrophobicContact CE1-CE2 4.13Å; F167-F219 HydrophobicContact CE2-CD2 4.43Å; F167-F219 AromaticContact CE2-CE2 3.3Å; F167-F219 HydrophobicContact CE2-CE2 3.3Å; F167-F219 AromaticContact CE2-CZ 3.61Å; F167-F219 HydrophobicContact CE2-CZ 3.61Å; F167-F219 HydrophobicContact CG-CE2 4.09Å; F167-F219 HydrophobicContact CZ-CD2 4.37Å; F167-F219 AromaticContact CZ-CE2 3.6Å; F167-F219 HydrophobicContact CZ-CE2 3.6Å; F167-F219 HydrophobicContact CZ-CZ 4.19Å
168	Y	97.2	Very high	86.6	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.1	171.2	-171.4	-95.8	0	0	0	110	Q64 P65 Y66 P67 V155 T156 E170 D214 T215 L216	Q64-Y168 HydrophobicContact CB-CE2 4.49Å; Q64-Y168 WeakPolarHBondContact O-CE2 3.32Å; Q64-Y168 PolarHBondContact O-OH 3.17Å; P65-Y168 WeakPolarHBondContact O-CE2 3.32Å; Y66-Y168 VanDerWaalsContact CA-CZ 3.49Å; Y66-Y168 AromaticContact CD2-CD1 3.5Å; Y66-Y168 HydrophobicContact CD2-CD1 3.5Å; Y66-Y168 VanDerWaalsContact CD2-CD1 3.5Å; Y66-Y168 AromaticContact CD2-CE1 3.44Å; Y66-Y168 HydrophobicContact CD2-CE1 3.44Å; Y66-Y168 VanDerWaalsContact CD2-CE1 3.44Å; Y66-Y168 HydrophobicContact CD2-CG 4.4Å; Y66-Y168 AromaticContact CE2-CD1 3.93Å; Y66-Y168 HydrophobicContact CE2-CD1 3.93Å; Y66-Y168 HydrophobicContact CE2-CE1 4.3Å; Y66-Y168 HydrophobicContact CG-CD1 4.43Å; Y66-Y168 HydrophobicContact CG-CE1 4.18Å; Y66-Y168 PolarHBondContact N-OH 3.35Å; P67-Y168 HydrophobicContact CG-CG 4.3Å; V155-Y168 WeakPolarHBondContact CA-O 3.47Å; T156-Y168 PolarHBondContact N-O 3.07Å; T156-Y168 PolarHBondContact O-N 2.89Å; Y168-E170 HydrophobicContact CD1-CB 4.29Å; Y168-E170 HydrophobicContact CE1-CB 4Å; Y168-D214 PolarHBondContact OH-OD1 3.45Å; Y168-T215 WeakPolarHBondContact CA-O 3.4Å; Y168-L216 HydrophobicContact CD2-CB 4.27Å; Y168-L216 HydrophobicContact CD2-CD1 4.33Å
169	Y	95.1	Very high	85	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.7	-178.8	-59.7	-70.1	0	0	0	110.1	I121 V155 F167 I172 S183 V206 I211 K212 S213 D214 T215 V217	I121-Y169 HydrophobicContact CD1-CD1 4.28Å; I121-Y169 HydrophobicContact CD1-CE1 4.16Å; V155-Y169 HydrophobicContact CG1-CD1 4.15Å; V155-Y169 HydrophobicContact CG1-CE1 4.04Å; V155-Y169 HydrophobicContact CG2-CD1 3.72Å; V155-Y169 HydrophobicContact CG2-CE1 4.11Å; F167-Y169 HydrophobicContact CB-CE2 4.41Å; Y169-I172 HydrophobicContact CD1-CD1 4.28Å; Y169-I172 HydrophobicContact CG-CG1 4.45Å; Y169-S183 WeakPolarHBondContact OH-CB 3.47Å; Y169-S183 PolarHBondContact OH-OG 2.85Å; Y169-V206 HydrophobicContact CE2-CG1 4.33Å; Y169-I211 HydrophobicContact CD1-CG2 3.84Å; Y169-I211 HydrophobicContact CE1-CG1 4.4Å; Y169-I211 HydrophobicContact CE1-CG2 3.79Å; Y169-I211 HydrophobicContact CE2-CG1 4.29Å; Y169-I211 HydrophobicContact CG-CG2 4.3Å; Y169-K212 WeakPolarHBondContact CB-O 3.29Å; Y169-S213 CarbonylContact O-C 3.56Å; Y169-D214 PolarHBondContact O-N 3.28Å; Y169-T215 HydrophobicContact CD2-CG2 4.19Å; Y169-T215 PolarHBondContact N-O 3.09Å; Y169-V217 HydrophobicContact CE2-CG2 3.85Å
170	E	91.9	Very high	84.1	Confident	46 Å²	46	58.8 Å²	58.8	22%	0.215	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.5	-178.5	-170.5	-169.3	148.7	0	0	109.4	K154 Y168 I172	K154-E170 HydrophobicContact CB-CB 4.17Å; K154-E170 PolarHBondContact N-O 3.13Å; K154-E170 IonicContact NZ-OE1 2.99Å; K154-E170 PolarHBondContact NZ-OE1 2.91Å; K154-E170 IonicContact NZ-OE2 2.7Å; K154-E170 PolarHBondContact O-N 3.34Å; Y168-E170 HydrophobicContact CD1-CB 4.29Å; Y168-E170 HydrophobicContact CE1-CB 4Å; E170-I172 VanDerWaalsContact C-N 3.3Å; E170-I172 PolarHBondContact O-N 3.35Å
171	S	88.6	Confident	83.5	Confident	62 Å²	62	57.6 Å²	57.6	43%	0.434	30%	0.304	S	S	.	.	S	Bend	trans	52.2	43.2	174.7	-56.9	0	0	0	0	114	K152 S153 T173 S213	K152-S171 WeakPolarHBondContact O-CB 3.44Å; S153-S171 WeakPolarHBondContact CA-O 3.34Å; S153-S171 PolarHBondContact OG-O 2.87Å; S171-T173 PolarHBondContact O-N 3.32Å; S171-S213 WeakPolarHBondContact CA-OG 3.47Å; S171-S213 PolarHBondContact N-OG 2.96Å
172	I	86.9	Confident	83.3	Confident	12 Å²	12	58.9 Å²	58.9	6%	0.062	30%	0.303	C	S	.	.			trans	-72.4	119.2	176.5	-54.8	-54.7	0	0	0	109.6	S153 V155 Y169 E170 R181 I211 S213	S153-I172 WeakPolarHBondContact OG-CA 3.21Å; V155-I172 HydrophobicContact CG2-CD1 4.35Å; Y169-I172 HydrophobicContact CD1-CD1 4.28Å; Y169-I172 HydrophobicContact CG-CG1 4.45Å; E170-I172 VanDerWaalsContact C-N 3.3Å; E170-I172 PolarHBondContact O-N 3.35Å; I172-R181 VanDerWaalsContact CG2-NH1 3.32Å; I172-I211 HydrophobicContact CG2-CG2 4.43Å; I172-S213 PolarHBondContact N-OG 3.21Å
173	T	79.1	Confident	83.4	Confident	13 Å²	13	54.7 Å²	54.7	8%	0.08	27%	0.274	C	S	.	.			trans	-75.9	144.2	-179	64.4	0	0	0	0	111.4	I146 L151 S153 S171 R181	I146-T173 HydrophobicContact CD1-CG2 4.18Å; I146-T173 VanDerWaalsContact CD1-OG1 3.25Å; I146-T173 WeakPolarHBondContact CD1-OG1 3.45Å; L151-T173 HydrophobicContact CB-CG2 3.39Å; L151-T173 HydrophobicContact CD1-CG2 3.56Å; L151-T173 HydrophobicContact CG-CG2 4Å; S153-T173 PolarHBondContact OG-N 3.03Å; S171-T173 PolarHBondContact O-N 3.32Å; T173-R181 PolarHBondContact O-NH1 3.15Å; T173-R181 PolarHBondContact O-NH2 2.86Å
174	T	71.1	Confident	83.5	Confident	116 Å²	116	55 Å²	55	71%	0.712	28%	0.275	S	S	*	.	S	Bend	trans	-92.4	-6.8	175.6	49.8	0	0	0	0	113.4	M176	T174-M176 PolarHBondContact O-N 3.09Å
175	E	63.1	Low	83.6	Confident	109 Å²	109	52.5 Å²	52.5	51%	0.509	26%	0.264	S	S	.	.			trans	-75.7	6.8	-164.5	-59.9	-178.2	161.1	0	0	115.8	N149	N149-E175 PolarHBondContact ND2-OE1 3.33Å; N149-E175 PolarHBondContact ND2-OE2 3.28Å
176	M	60.6	Low	83.6	Confident	28 Å²	28	55.5 Å²	55.5	14%	0.138	28%	0.276	C	S	.	.			trans	-127.8	89.8	-178.7	-64.8	-172.2	156.9	0	0	109.2	P122 F124 I146 V148 T174 R181	P122-M176 HydrophobicContact CB-SD 4.13Å; F124-M176 HydrophobicContact CD2-CE 3.8Å; F124-M176 HydrophobicContact CD2-SD 4.19Å; F124-M176 HydrophobicContact CE2-CE 3.19Å; F124-M176 HydrophobicContact CE2-SD 3.45Å; F124-M176 WeakPolarHBondContact CE2-SD 3.28Å; F124-M176 HydrophobicContact CZ-CE 3.88Å; F124-M176 HydrophobicContact CZ-SD 4.35Å; I146-M176 HydrophobicContact CD1-SD 4.2Å; I146-M176 HydrophobicContact CG1-SD 4.5Å; I146-M176 HydrophobicContact CG2-CE 3.18Å; I146-M176 HydrophobicContact CG2-SD 3.71Å; V148-M176 HydrophobicContact CG2-CE 4.04Å; T174-M176 PolarHBondContact O-N 3.09Å; M176-R181 PolarHBondContact O-NH2 3.37Å; M176-R181 VanDerWaalsContact O-NH2 3.16Å
177	E	57.4	Low	83.6	Confident	178 Å²	178	55.1 Å²	55.1	83%	0.832	27%	0.273	S	S	*	.			trans	-79.5	-21.3	179.6	-71.6	-175.1	155.7	0	0	112.8	N179	E177-N179 PolarHBondContact O-N 3.15Å
178	D	61.9	Low	83.5	Confident	160 Å²	160	55.8 Å²	55.8	86%	0.856	28%	0.277	S	S	*	.	S	Bend	trans	-81.3	-18.6	-169.2	-70.9	-25.6	0	0	0	115
179	N	64.6	Low	83.3	Confident	84 Å²	84	55.6 Å²	55.6	45%	0.449	28%	0.276	S	S	.	.	S	Bend	trans	-112.1	113.7	-176.4	-74.5	-31.7	0	0	0	111.7	P122 E177 R181	P122-N179 HydrophobicContact CB-CB 4.34Å; P122-N179 HydrophobicContact CG-CB 3.47Å; P122-N179 VanDerWaalsContact CG-CB 3.47Å; E177-N179 PolarHBondContact O-N 3.15Å; N179-R181 WeakPolarHBondContact O-CG 3.45Å; N179-R181 PolarHBondContact O-N 3.31Å; N179-R181 VanDerWaalsContact O-N 3.12Å
180	K	77.3	Confident	83.1	Confident	173 Å²	173	61 Å²	61	75%	0.752	30%	0.301	S	S	*	.			trans	-56.5	114.9	176	-70.4	-175.1	178.5	179.9	0	111.1	N120	N120-K180 PolarHBondContact ND2-O 2.78Å
181	R	84.7	Confident	82.9	Confident	19 Å²	19	59 Å²	59	7%	0.072	29%	0.292	C	S	.	.			trans	-90.3	138.2	179.1	-47	-176.1	-170.9	178.5	-1.3	110.3	N120 P122 I172 T173 M176 N179 E208 I211	N120-R181 WeakPolarHBondContact O-CA 3Å; P122-R181 HydrophobicContact CG-CG 4.33Å; I172-R181 VanDerWaalsContact CG2-NH1 3.32Å; T173-R181 PolarHBondContact O-NH1 3.15Å; T173-R181 PolarHBondContact O-NH2 2.86Å; M176-R181 PolarHBondContact O-NH2 3.37Å; M176-R181 VanDerWaalsContact O-NH2 3.16Å; N179-R181 WeakPolarHBondContact O-CG 3.45Å; N179-R181 PolarHBondContact O-N 3.31Å; N179-R181 VanDerWaalsContact O-N 3.12Å; R181-E208 HydrophobicContact CB-CG 4.21Å; R181-E208 WeakPolarHBondContact O-CB 3.1Å; R181-I211 HydrophobicContact CB-CD1 4.37Å
182	Y	91.6	Very high	82.8	Confident	79 Å²	79	60.7 Å²	60.7	31%	0.31	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	152.8	171.9	63.5	-92.8	0	0	0	110.4	N120 L184 I211	N120-Y182 WeakPolarHBondContact CA-O 3.43Å; N120-Y182 HydrophobicContact CB-CD1 3.73Å; N120-Y182 HydrophobicContact CB-CD2 4.09Å; N120-Y182 HydrophobicContact CB-CE1 3.41Å; N120-Y182 VanDerWaalsContact CB-CE1 3.41Å; N120-Y182 HydrophobicContact CB-CE2 3.8Å; N120-Y182 HydrophobicContact CB-CG 4.06Å; N120-Y182 VanDerWaalsContact CB-CZ 3.45Å; N120-Y182 PolarHBondContact N-O 2.9Å; N120-Y182 VanDerWaalsContact ND2-CE1 3.28Å; N120-Y182 WeakPolarHBondContact ND2-CE1 3.42Å; N120-Y182 PolarHBondContact O-N 2.75Å; N120-Y182 VanDerWaalsContact O-N 3.12Å; Y182-L184 HydrophobicContact CD2-CD2 3.8Å; Y182-L184 HydrophobicContact CD2-CG 4.26Å; Y182-L184 HydrophobicContact CE2-CD2 3.62Å; Y182-L184 HydrophobicContact CE2-CG 4.27Å; Y182-I211 VanDerWaalsContact CA-CD1 3.46Å
183	S	96	Very high	82.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	151.1	158.2	-59.1	0	0	0	0	108.1	N118 H119 Y169 V206	N118-S183 CarbonylContact O-C 3.47Å; N118-S183 VanDerWaalsContact O-CA 3.22Å; N118-S183 WeakPolarHBondContact O-CA 3.45Å; H119-S183 WeakPolarHBondContact ND1-CB 3.43Å; H119-S183 PolarHBondContact ND1-OG 3.24Å; Y169-S183 WeakPolarHBondContact OH-CB 3.47Å; Y169-S183 PolarHBondContact OH-OG 2.85Å; S183-V206 PolarHBondContact O-N 2.93Å
184	L	97.2	Very high	82.6	Confident	6 Å²	6	74.5 Å²	74.5	3%	0.031	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	157.5	177.5	63.9	81.7	0	0	0	112.8	I117 N118 Y182 R186 I204 I205	I117-L184 WeakPolarHBondContact CA-O 3.33Å; N118-L184 HydrophobicContact CB-CD1 4.18Å; N118-L184 HydrophobicContact CB-CG 4.26Å; N118-L184 PolarHBondContact N-O 3.11Å; N118-L184 PolarHBondContact O-N 2.84Å; Y182-L184 HydrophobicContact CD2-CD2 3.8Å; Y182-L184 HydrophobicContact CD2-CG 4.26Å; Y182-L184 HydrophobicContact CE2-CD2 3.62Å; Y182-L184 HydrophobicContact CE2-CG 4.27Å; L184-R186 HydrophobicContact CD1-CB 3.89Å; L184-I204 WeakPolarHBondContact CA-O 3.3Å; L184-I204 WeakPolarHBondContact CB-O 3.35Å; L184-I205 HydrophobicContact CB-CG1 4.24Å
185	I	98	Very high	83	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.5	155.8	70	168	0	0	0	108.8	Y56 Y91 I117 F167 Q203 I204 F219	Y56-I185 HydrophobicContact CD1-CD1 4.29Å; Y56-I185 HydrophobicContact CD2-CD1 4.11Å; Y56-I185 HydrophobicContact CE1-CD1 4.48Å; Y56-I185 HydrophobicContact CE2-CD1 4.31Å; Y56-I185 HydrophobicContact CG-CD1 4.11Å; Y91-I185 HydrophobicContact CE2-CD1 4.45Å; I117-I185 HydrophobicContact CG1-CG2 4Å; F167-I185 HydrophobicContact CE1-CG2 4.39Å; F167-I185 HydrophobicContact CE2-CG2 4.27Å; F167-I185 HydrophobicContact CZ-CG2 3.54Å; I185-Q203 WeakPolarHBondContact O-CA 3.36Å; I185-I204 HydrophobicContact CD1-CD1 3.9Å; I185-I204 HydrophobicContact CD1-CG1 4.45Å; I185-I204 HydrophobicContact CG1-CB 3.81Å; I185-I204 HydrophobicContact CG1-CD1 3.98Å; I185-I204 HydrophobicContact CG1-CG1 3.98Å; I185-I204 PolarHBondContact N-O 2.88Å; I185-I204 PolarHBondContact O-N 3.08Å; I185-F219 HydrophobicContact CD1-CB 4.01Å; I185-F219 HydrophobicContact CD1-CD1 3.71Å; I185-F219 HydrophobicContact CD1-CE1 4.31Å; I185-F219 HydrophobicContact CD1-CG 3.85Å; I185-F219 HydrophobicContact CG1-CD1 4Å; I185-F219 HydrophobicContact CG1-CE1 4.09Å; I185-F219 HydrophobicContact CG1-CG 4.45Å; I185-F219 HydrophobicContact CG2-CD2 4.28Å; I185-F219 HydrophobicContact CG2-CE2 4.19Å; I185-F219 HydrophobicContact CG2-CZ 4.3Å
186	R	97.7	Very high	84.1	Confident	65 Å²	65	78.8 Å²	78.8	25%	0.245	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.6	-179.4	176.8	-174.2	-59.1	-165.6	6.8	109.7	Y90 G115 N116 L184 E201 P202 Q203	Y90-R186 WeakPolarHBondContact CE1-O 3.28Å; Y90-R186 PolarHBondContact OH-N 3.35Å; Y90-R186 PolarHBondContact OH-O 2.84Å; G115-R186 CarbonylContact C-O 3.47Å; G115-R186 WeakPolarHBondContact CA-O 3.36Å; N116-R186 PolarHBondContact N-O 2.79Å; N116-R186 PolarHBondContact O-N 2.9Å; L184-R186 HydrophobicContact CD1-CB 3.89Å; R186-E201 HydrophobicContact CG-CB 4.24Å; R186-E201 IonicContact CZ-OE2 2.73Å; R186-E201 IonicContact NE-OE2 2.72Å; R186-E201 IonicContact NH1-OE1 2.86Å; R186-E201 IonicContact NH1-OE2 3.68Å; R186-E201 PolarHBondContact NH1-OE2 3.06Å; R186-P202 WeakPolarHBondContact CA-O 3.44Å; R186-Q203 HydrophobicContact CB-CG 4.05Å; R186-Q203 HydrophobicContact CG-CG 3.83Å; R186-Q203 VanDerWaalsContact NE-NE2 3.15Å
187	G	96.9	Very high	85.4	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	155.4	165.2	0	0	0	0	0	111.6	Y91 L114 E201 P202	Y91-G187 VanDerWaalsContact CE2-CA 3.5Å; L114-G187 CarbonylContact O-C 3.55Å; G187-E201 WeakPolarHBondContact O-CA 3.29Å; G187-P202 PolarHBondContact N-O 3.43Å
188	V	96.1	Very high	86.9	Confident	15 Å²	15	78 Å²	78	9%	0.091	37%	0.368	C	S	.	.			trans	-131.1	117.9	175.3	173.9	0	0	0	0	109.6	R93 L114 V199 E201	R93-V188 VanDerWaalsContact CZ-O 3.23Å; R93-V188 PolarHBondContact NH1-O 3.41Å; R93-V188 PolarHBondContact NH2-O 2.82Å; L114-V188 PolarHBondContact O-N 3.1Å; V188-V199 HydrophobicContact CG1-CG1 3.96Å; V188-E201 HydrophobicContact CG2-CG 4.3Å
189	F	93.1	Very high	88.3	Confident	3 Å²	3	74.3 Å²	74.3	1%	0.013	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.4	-178.7	-63.4	-88.8	0	0	0	110.3	Q27 I29 Y54 Y91 V199 I200 P202	Q27-F189 HydrophobicContact CG-CD1 4.46Å; Q27-F189 VanDerWaalsContact OE1-CD1 3.25Å; I29-F189 HydrophobicContact CD1-CD2 4.2Å; I29-F189 HydrophobicContact CD1-CE2 4.31Å; I29-F189 HydrophobicContact CG2-CB 4.21Å; I29-F189 HydrophobicContact CG2-CD1 3.93Å; I29-F189 HydrophobicContact CG2-CD2 4.12Å; I29-F189 HydrophobicContact CG2-CE1 4.23Å; I29-F189 HydrophobicContact CG2-CE2 4.44Å; I29-F189 HydrophobicContact CG2-CG 3.82Å; I29-F189 HydrophobicContact CG2-CZ 4.44Å; Y54-F189 HydrophobicContact CD1-CE2 4.4Å; Y54-F189 HydrophobicContact CD1-CZ 4.44Å; Y54-F189 HydrophobicContact CE1-CE1 4.49Å; Y54-F189 AromaticContact CE1-CE2 3.99Å; Y54-F189 HydrophobicContact CE1-CE2 3.99Å; Y54-F189 AromaticContact CE1-CZ 3.7Å; Y54-F189 HydrophobicContact CE1-CZ 3.7Å; Y91-F189 HydrophobicContact CD1-CE2 4.19Å; Y91-F189 HydrophobicContact CD1-CZ 4.2Å; Y91-F189 HydrophobicContact CG-CE2 4.39Å; Y91-F189 HydrophobicContact CG-CZ 4.24Å; F189-V199 CarbonylContact O-C 3.56Å; F189-V199 VanDerWaalsContact O-CA 3.28Å; F189-V199 WeakPolarHBondContact O-CA 3.37Å; F189-I200 HydrophobicContact CB-CB 4.4Å; F189-I200 PolarHBondContact N-O 3.36Å; F189-I200 PolarHBondContact O-N 3.18Å; F189-P202 HydrophobicContact CD2-CG 3.96Å; F189-P202 HydrophobicContact CE2-CG 3.55Å
190	Q	90.7	Very high	89.6	Confident	113 Å²	113	70.4 Å²	70.4	53%	0.528	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	112.2	173	-68.5	178.7	-6	0	0	107.8
191	C	88.8	Confident	90.4	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	151.1	-178.7	-58.7	0	0	0	0	109.9	C30 V198 I200	C30-C191 WeakPolarHBondContact CA-SG 3.43Å; C30-C191 HydrophobicContact CB-CB 3.6Å; C30-C191 WeakPolarHBondContact CB-SG 3.47Å; C30-C191 VanDerWaalsContact SG-CA 3.57Å; C30-C191 WeakPolarHBondContact SG-CB 3.43Å; C30-C191 CovalentContact SG-SG 2.03Å; C30-C191 PolarHBondContact SG-SG 2.82Å; C191-V198 WeakPolarHBondContact CB-O 3.36Å; C191-V198 PolarHBondContact N-O 3.34Å; C191-V198 PolarHBondContact O-N 3.36Å; C191-I200 HydrophobicContact CB-CD1 4.3Å; C191-I200 WeakPolarHBondContact SG-CD1 3.38Å
192	V	85.9	Confident	90.9	Very high	98 Å²	98	64.4 Å²	64.4	59%	0.594	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.4	170.5	-178.6	0	0	0	0	108.4	K196	V192-K196 WeakPolarHBondContact CA-O 3.38Å
193	R	78.6	Confident	91.1	Very high	76 Å²	76	64 Å²	64	29%	0.287	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.6	174.7	-70.9	-174.5	177.5	153.6	4	109.7	I29 C30 P33 D195 K196 V198 I200	I29-R193 PolarHBondContact O-NH2 2.93Å; C30-R193 PolarHBondContact O-NE 2.78Å; C30-R193 VanDerWaalsContact O-NE 3.09Å; C30-R193 PolarHBondContact O-NH2 2.97Å; P33-R193 VanDerWaalsContact CB-NH2 3.34Å; P33-R193 VanDerWaalsContact CD-NH2 3.29Å; R193-D195 VanDerWaalsContact C-N 3.28Å; R193-D195 PolarHBondContact O-N 2.93Å; R193-K196 PolarHBondContact N-O 2.84Å; R193-K196 PolarHBondContact O-N 2.79Å; R193-V198 HydrophobicContact CB-CG2 4.11Å; R193-V198 HydrophobicContact CG-CG2 4.49Å; R193-I200 VanDerWaalsContact NH2-CD1 3.32Å
194	R	82.7	Confident	91.2	Very high	239 Å²	239	64 Å²	64	90%	0.902	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	50.5	-178.6	-53.8	178.5	-170.1	151.1	1.5	111.3	K196	R194-K196 PolarHBondContact O-N 3.32Å; R194-K196 VanDerWaalsContact O-N 3.1Å
195	D	81	Confident	91.1	Very high	163 Å²	163	67.4 Å²	67.4	87%	0.872	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	20.4	-178.9	-49.6	-44	0	0	0	115.4	R193	R193-D195 VanDerWaalsContact C-N 3.28Å; R193-D195 PolarHBondContact O-N 2.93Å
196	K	85.5	Confident	91.1	Very high	151 Å²	151	67.4 Å²	67.4	66%	0.657	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.6	173.4	-63.8	-176.7	-178.9	-175.7	0	110.9	V192 R193 R194 V198	V192-K196 WeakPolarHBondContact CA-O 3.38Å; R193-K196 PolarHBondContact N-O 2.84Å; R193-K196 PolarHBondContact O-N 2.79Å; R194-K196 PolarHBondContact O-N 3.32Å; R194-K196 VanDerWaalsContact O-N 3.1Å; K196-V198 PolarHBondContact O-N 3.46Å
197	D	86.9	Confident	90.8	Very high	143 Å²	143	66.4 Å²	66.4	77%	0.765	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	124.4	169.3	-70	-29.1	0	0	0	109.8
198	V	89.2	Confident	90.4	Very high	47 Å²	47	70.3 Å²	70.3	29%	0.285	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125	177.8	179.1	0	0	0	0	107.8	C191 R193 K196 I200	C191-V198 WeakPolarHBondContact CB-O 3.36Å; C191-V198 PolarHBondContact N-O 3.34Å; C191-V198 PolarHBondContact O-N 3.36Å; R193-V198 HydrophobicContact CB-CG2 4.11Å; R193-V198 HydrophobicContact CG-CG2 4.49Å; K196-V198 PolarHBondContact O-N 3.46Å; V198-I200 HydrophobicContact CG1-CG1 4.24Å
199	V	91.2	Very high	90.2	Very high	83 Å²	83	75.1 Å²	75.1	50%	0.503	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.1	172.5	-175.9	0	0	0	0	108.8	V188 F189 E201	V188-V199 HydrophobicContact CG1-CG1 3.96Å; F189-V199 CarbonylContact O-C 3.56Å; F189-V199 VanDerWaalsContact O-CA 3.28Å; F189-V199 WeakPolarHBondContact O-CA 3.37Å; V199-E201 HydrophobicContact CG1-CG 3.92Å
200	I	92.3	Very high	90.3	Very high	2 Å²	2	75.3 Å²	75.3	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.4	175.3	-53	-177.5	0	0	0	108.7	I29 E36 F189 C191 R193 V198	I29-I200 HydrophobicContact CD1-CG2 3.71Å; I29-I200 HydrophobicContact CG1-CB 4.47Å; I29-I200 HydrophobicContact CG1-CD1 4.32Å; I29-I200 HydrophobicContact CG1-CG2 3.75Å; I29-I200 VanDerWaalsContact O-CD1 3.32Å; I29-I200 WeakPolarHBondContact O-CD1 3.24Å; E36-I200 HydrophobicContact CB-CG2 3.6Å; E36-I200 HydrophobicContact CG-CG2 3.6Å; F189-I200 HydrophobicContact CB-CB 4.4Å; F189-I200 PolarHBondContact N-O 3.36Å; F189-I200 PolarHBondContact O-N 3.18Å; C191-I200 HydrophobicContact CB-CD1 4.3Å; C191-I200 WeakPolarHBondContact SG-CD1 3.38Å; R193-I200 VanDerWaalsContact NH2-CD1 3.32Å; V198-I200 HydrophobicContact CG1-CG1 4.24Å
201	E	94.7	Very high	90.4	Very high	61 Å²	61	70.1 Å²	70.1	29%	0.285	34%	0.341	S	S	.	.			trans	-127.3	79.6	-172.8	-59.9	-165.3	141.6	0	0	112.6	E36 R186 G187 V188 V199 Q203	E36-E201 PolarHBondContact OE1-N 2.89Å; E36-E201 VanDerWaalsContact OE1-N 3.13Å; R186-E201 HydrophobicContact CG-CB 4.24Å; R186-E201 IonicContact CZ-OE2 2.73Å; R186-E201 IonicContact NE-OE2 2.72Å; R186-E201 IonicContact NH1-OE1 2.86Å; R186-E201 IonicContact NH1-OE2 3.68Å; R186-E201 PolarHBondContact NH1-OE2 3.06Å; G187-E201 WeakPolarHBondContact O-CA 3.29Å; V188-E201 HydrophobicContact CG2-CG 4.3Å; V199-E201 HydrophobicContact CG1-CG 3.92Å; E201-Q203 PolarHBondContact O-N 2.73Å
202	P	94.9	Very high	90.5	Very high	4 Å²	4	75.2 Å²	75.2	3%	0.026	36%	0.363	C	S	.	.			trans	-62.8	134.7	174.7	26.8	-33.1	0	0	0	110.4	I29 E36 Y54 Y91 R186 G187 F189	I29-P202 HydrophobicContact CD1-CB 4.11Å; I29-P202 HydrophobicContact CD1-CG 3.73Å; E36-P202 WeakPolarHBondContact O-CA 3.49Å; Y54-P202 HydrophobicContact CD1-CB 4.32Å; Y54-P202 HydrophobicContact CD1-CG 4.02Å; Y91-P202 HydrophobicContact CD1-CG 4.26Å; Y91-P202 HydrophobicContact CE1-CB 4.21Å; Y91-P202 HydrophobicContact CE1-CG 3.81Å; Y91-P202 PolarHBondContact OH-O 3.47Å; R186-P202 WeakPolarHBondContact CA-O 3.44Å; G187-P202 PolarHBondContact N-O 3.43Å; F189-P202 HydrophobicContact CD2-CG 3.96Å; F189-P202 HydrophobicContact CE2-CG 3.55Å
203	Q	96.1	Very high	90.8	Very high	70 Å²	70	72.6 Å²	72.6	33%	0.327	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.4	-177.1	-69	177.3	29.1	0	0	110.9	I185 R186 E201	I185-Q203 WeakPolarHBondContact O-CA 3.36Å; R186-Q203 HydrophobicContact CB-CG 4.05Å; R186-Q203 HydrophobicContact CG-CG 3.83Å; R186-Q203 VanDerWaalsContact NE-NE2 3.15Å; E201-Q203 PolarHBondContact O-N 2.73Å
204	I	97.1	Very high	91.6	Very high	2 Å²	2	72.5 Å²	72.5	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	109	170.3	-45.6	-177.2	0	0	0	107.7	Y53 Y56 Q58 L184 I185 F219	Y53-I204 VanDerWaalsContact CB-CD1 3.49Å; Y53-I204 HydrophobicContact CD1-CB 4.38Å; Y53-I204 HydrophobicContact CD1-CD1 4.49Å; Y53-I204 HydrophobicContact CD1-CG1 3.94Å; Y53-I204 HydrophobicContact CD1-CG2 4.02Å; Y53-I204 HydrophobicContact CD2-CB 4.48Å; Y53-I204 HydrophobicContact CD2-CD1 3.95Å; Y53-I204 HydrophobicContact CD2-CG1 4.17Å; Y53-I204 HydrophobicContact CD2-CG2 3.57Å; Y53-I204 HydrophobicContact CE1-CG2 3.88Å; Y53-I204 HydrophobicContact CE2-CG2 3.42Å; Y53-I204 VanDerWaalsContact CE2-CG2 3.42Å; Y53-I204 HydrophobicContact CG-CB 4.34Å; Y53-I204 HydrophobicContact CG-CD1 3.75Å; Y53-I204 HydrophobicContact CG-CG1 3.7Å; Y53-I204 HydrophobicContact CG-CG2 3.86Å; Y56-I204 HydrophobicContact CD2-CD1 4.5Å; Y56-I204 HydrophobicContact CG-CD1 4.3Å; Q58-I204 HydrophobicContact CB-CG2 4.28Å; Q58-I204 HydrophobicContact CG-CG2 4.48Å; L184-I204 WeakPolarHBondContact CA-O 3.3Å; L184-I204 WeakPolarHBondContact CB-O 3.35Å; I185-I204 HydrophobicContact CD1-CD1 3.9Å; I185-I204 HydrophobicContact CD1-CG1 4.45Å; I185-I204 HydrophobicContact CG1-CB 3.81Å; I185-I204 HydrophobicContact CG1-CD1 3.98Å; I185-I204 HydrophobicContact CG1-CG1 3.98Å; I185-I204 PolarHBondContact N-O 2.88Å; I185-I204 PolarHBondContact O-N 3.08Å; I204-F219 HydrophobicContact CB-CD1 4.35Å; I204-F219 HydrophobicContact CB-CE1 3.96Å; I204-F219 HydrophobicContact CD1-CD1 4.2Å; I204-F219 HydrophobicContact CG2-CD1 4.03Å; I204-F219 HydrophobicContact CG2-CE1 3.55Å
205	I	96.4	Very high	92.3	Very high	76 Å²	76	61.1 Å²	61.1	39%	0.39	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.5	-176.9	-60.2	172.8	0	0	0	108.6	Q58 L184 P207	Q58-I205 PolarHBondContact NE2-O 3.36Å; L184-I205 HydrophobicContact CB-CG1 4.24Å; I205-P207 WeakPolarHBondContact O-CD 3.21Å
206	V	96.5	Very high	93.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	106.9	162	-175.5	0	0	0	0	106.7	I60 F167 Y169 S183 W210 I211 V217 F219	I60-V206 HydrophobicContact CD1-CG1 4.49Å; F167-V206 HydrophobicContact CD2-CG2 4.13Å; F167-V206 HydrophobicContact CE2-CG2 4.35Å; Y169-V206 HydrophobicContact CE2-CG1 4.33Å; S183-V206 PolarHBondContact O-N 2.93Å; V206-W210 HydrophobicContact CG1-CB 4.04Å; V206-I211 HydrophobicContact CG1-CD1 4.42Å; V206-I211 HydrophobicContact CG1-CG1 3.85Å; V206-V217 HydrophobicContact CG1-CG2 3.95Å; V206-V217 HydrophobicContact CG2-CB 4.42Å; V206-V217 HydrophobicContact CG2-CG1 3.88Å; V206-V217 HydrophobicContact CG2-CG2 4.11Å; V206-F219 HydrophobicContact CG2-CZ 3.89Å
207	P	91.3	Very high	93.7	Very high	44 Å²	44	47 Å²	47	29%	0.286	24%	0.243	S	C	.	.			trans	-62.1	149.1	179.6	-22.6	31.7	0	0	0	112.1	I205 K209 W210	I205-P207 WeakPolarHBondContact O-CD 3.21Å; P207-K209 HydrophobicContact CB-CG 4.32Å; P207-K209 PolarHBondContact O-N 2.84Å; P207-K209 VanDerWaalsContact O-N 3.08Å; P207-W210 WeakPolarHBondContact O-CB 3.44Å; P207-W210 PolarHBondContact O-N 2.89Å
208	E	90.4	Very high	94.2	Very high	83 Å²	83	41.1 Å²	41.1	39%	0.388	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-48.1	-39.4	179.4	-178.8	167.6	-170.6	0	0	114	R181 W210 I211	R181-E208 HydrophobicContact CB-CG 4.21Å; R181-E208 WeakPolarHBondContact O-CB 3.1Å; E208-W210 PolarHBondContact O-N 3.03Å; E208-I211 PolarHBondContact O-N 3.39Å
209	K	91.4	Very high	94.7	Very high	116 Å²	116	38.9 Å²	38.9	50%	0.504	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-56.5	-23.8	179.6	72.7	176.4	-171.8	174	0	113.9	E44 P207 K212	E44-K209 IonicContact OE1-NZ 2.83Å; E44-K209 PolarHBondContact OE1-NZ 3.31Å; P207-K209 HydrophobicContact CB-CG 4.32Å; P207-K209 PolarHBondContact O-N 2.84Å; P207-K209 VanDerWaalsContact O-N 3.08Å; K209-K212 VanDerWaalsContact O-CE 3.22Å; K209-K212 WeakPolarHBondContact O-CE 3.37Å
210	W	94	Very high	94.9	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.027	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-99.5	-8.1	179.2	-62.7	111.8	0	0	0	113.5	E44 N45 K49 I60 L62 V206 P207 E208 K212 T215	E44-W210 HydrophobicContact CG-CZ2 4.29Å; N45-W210 WeakPolarHBondContact O-CH2 3.42Å; K49-W210 HydrophobicContact CB-CH2 4.18Å; K49-W210 HydrophobicContact CB-CZ2 3.7Å; K49-W210 HydrophobicContact CD-CZ2 4.5Å; I60-W210 HydrophobicContact CB-CD2 4.41Å; I60-W210 HydrophobicContact CB-CE3 4.37Å; I60-W210 HydrophobicContact CD1-CB 4.14Å; I60-W210 HydrophobicContact CD1-CD2 4.11Å; I60-W210 HydrophobicContact CD1-CG 3.73Å; I60-W210 HydrophobicContact CG2-CB 3.97Å; I60-W210 HydrophobicContact CG2-CD2 3.68Å; I60-W210 HydrophobicContact CG2-CE3 3.44Å; I60-W210 VanDerWaalsContact CG2-CE3 3.44Å; I60-W210 HydrophobicContact CG2-CG 3.93Å; I60-W210 HydrophobicContact CG2-CZ3 4.15Å; L62-W210 HydrophobicContact CD1-CE3 4.42Å; L62-W210 HydrophobicContact CD1-CZ3 4.15Å; L62-W210 HydrophobicContact CD2-CE3 3.81Å; L62-W210 HydrophobicContact CD2-CZ3 4.19Å; L62-W210 HydrophobicContact CG-CE3 4.09Å; L62-W210 HydrophobicContact CG-CZ3 3.94Å; V206-W210 HydrophobicContact CG1-CB 4.04Å; P207-W210 WeakPolarHBondContact O-CB 3.44Å; P207-W210 PolarHBondContact O-N 2.89Å; E208-W210 PolarHBondContact O-N 3.03Å; W210-K212 PolarHBondContact O-N 3.4Å; W210-K212 VanDerWaalsContact O-N 3.13Å; W210-T215 WeakPolarHBondContact O-CG2 3.42Å; W210-T215 PolarHBondContact O-OG1 3.42Å
211	I	92.5	Very high	94.9	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	20%	0.203	C	C	.	.			trans	-89.7	78.5	179.4	-56.8	-179.4	0	0	0	108.3	I121 Y169 I172 R181 Y182 V206 E208	I121-I211 HydrophobicContact CD1-CG2 4.24Å; I121-I211 HydrophobicContact CG1-CG2 4.45Å; Y169-I211 HydrophobicContact CD1-CG2 3.84Å; Y169-I211 HydrophobicContact CE1-CG1 4.4Å; Y169-I211 HydrophobicContact CE1-CG2 3.79Å; Y169-I211 HydrophobicContact CE2-CG1 4.29Å; Y169-I211 HydrophobicContact CG-CG2 4.3Å; I172-I211 HydrophobicContact CG2-CG2 4.43Å; R181-I211 HydrophobicContact CB-CD1 4.37Å; Y182-I211 VanDerWaalsContact CA-CD1 3.46Å; V206-I211 HydrophobicContact CG1-CD1 4.42Å; V206-I211 HydrophobicContact CG1-CG1 3.85Å; E208-I211 PolarHBondContact O-N 3.39Å
212	K	91.5	Very high	94.4	Very high	110 Å²	110	37.8 Å²	37.8	48%	0.478	20%	0.195	S	C	.	.	S	Bend	trans	-132.9	161.3	179.3	-62.5	178.2	-179.1	173	0	109.7	Y169 K209 W210 T215	Y169-K212 WeakPolarHBondContact CB-O 3.29Å; K209-K212 VanDerWaalsContact O-CE 3.22Å; K209-K212 WeakPolarHBondContact O-CE 3.37Å; W210-K212 PolarHBondContact O-N 3.4Å; W210-K212 VanDerWaalsContact O-N 3.13Å; K212-T215 VanDerWaalsContact O-CB 3.25Å; K212-T215 WeakPolarHBondContact O-CB 3.33Å; K212-T215 PolarHBondContact O-N 3.29Å; K212-T215 PolarHBondContact O-OG1 2.86Å
213	S	93.2	Very high	93.3	Very high	43 Å²	43	44 Å²	44	30%	0.301	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	146.9	174.5	-57.5	0	0	0	0	111.8	Y169 S171 I172 T215	Y169-S213 CarbonylContact O-C 3.56Å; S171-S213 WeakPolarHBondContact CA-OG 3.47Å; S171-S213 PolarHBondContact N-OG 2.96Å; I172-S213 PolarHBondContact N-OG 3.21Å; S213-T215 PolarHBondContact O-N 3.38Å
214	D	95.5	Very high	91.6	Very high	74 Å²	74	41.6 Å²	41.6	40%	0.396	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	29.3	178.7	-48.9	-39.3	0	0	0	113.4	L62 N63 Q64 Y168 Y169	L62-D214 CarbonylContact C-O 3.5Å; N63-D214 CarbonylContact C-O 3.53Å; N63-D214 WeakPolarHBondContact CA-O 3.48Å; N63-D214 PolarHBondContact N-O 2.84Å; Q64-D214 PolarHBondContact N-O 2.98Å; Y168-D214 PolarHBondContact OH-OD1 3.45Å; Y169-D214 PolarHBondContact O-N 3.28Å
215	T	96.9	Very high	89.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.4	176.2	-55.3	0	0	0	0	111.2	I60 R61 L62 Y168 Y169 W210 K212 S213 V217	I60-T215 HydrophobicContact CG2-CG2 3.92Å; R61-T215 WeakPolarHBondContact O-CA 3.34Å; L62-T215 HydrophobicContact CD2-CG2 3.72Å; L62-T215 WeakPolarHBondContact CD2-OG1 3.17Å; Y168-T215 WeakPolarHBondContact CA-O 3.4Å; Y169-T215 HydrophobicContact CD2-CG2 4.19Å; Y169-T215 PolarHBondContact N-O 3.09Å; W210-T215 WeakPolarHBondContact O-CG2 3.42Å; W210-T215 PolarHBondContact O-OG1 3.42Å; K212-T215 VanDerWaalsContact O-CB 3.25Å; K212-T215 WeakPolarHBondContact O-CB 3.33Å; K212-T215 PolarHBondContact O-N 3.29Å; K212-T215 PolarHBondContact O-OG1 2.86Å; S213-T215 PolarHBondContact O-N 3.38Å; T215-V217 HydrophobicContact CG2-CG2 4.38Å
216	L	97.9	Very high	88.6	Confident	19 Å²	19	39.8 Å²	39.8	10%	0.099	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.2	172.4	179.6	64.1	0	0	0	109.8	R61 Q64 F167 Y168 E218	R61-L216 PolarHBondContact N-O 3.3Å; R61-L216 PolarHBondContact O-N 2.95Å; Q64-L216 HydrophobicContact CB-CB 3.87Å; Q64-L216 HydrophobicContact CG-CB 3.82Å; F167-L216 WeakPolarHBondContact O-CA 3.36Å; Y168-L216 HydrophobicContact CD2-CB 4.27Å; Y168-L216 HydrophobicContact CD2-CD1 4.33Å; L216-E218 HydrophobicContact CD1-CG 4.33Å; L216-E218 HydrophobicContact CD2-CG 4.2Å; L216-E218 HydrophobicContact CG-CG 4.01Å
217	V	98.2	Very high	87.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	170.1	-175.5	0	0	0	0	108.5	Q58 R59 I60 S166 F167 Y169 V206 T215 F219	Q58-V217 HydrophobicContact CG-CG1 3.99Å; R59-V217 CarbonylContact O-C 3.47Å; R59-V217 VanDerWaalsContact O-CA 3.29Å; R59-V217 WeakPolarHBondContact O-CA 3.49Å; I60-V217 HydrophobicContact CG1-CG1 4.16Å; I60-V217 HydrophobicContact CG1-CG2 4.15Å; I60-V217 HydrophobicContact CG2-CG2 4.22Å; S166-V217 CarbonylContact C-O 3.52Å; S166-V217 WeakPolarHBondContact CA-O 3.31Å; F167-V217 HydrophobicContact CB-CB 4.23Å; F167-V217 PolarHBondContact N-O 3.21Å; F167-V217 PolarHBondContact O-N 3.49Å; Y169-V217 HydrophobicContact CE2-CG2 3.85Å; V206-V217 HydrophobicContact CG1-CG2 3.95Å; V206-V217 HydrophobicContact CG2-CB 4.42Å; V206-V217 HydrophobicContact CG2-CG1 3.88Å; V206-V217 HydrophobicContact CG2-CG2 4.11Å; T215-V217 HydrophobicContact CG2-CG2 4.38Å; V217-F219 HydrophobicContact CB-CE2 4.45Å; V217-F219 HydrophobicContact CG1-CD2 4.34Å; V217-F219 HydrophobicContact CG1-CE1 4.31Å; V217-F219 HydrophobicContact CG1-CE2 3.61Å; V217-F219 HydrophobicContact CG1-CZ 3.6Å
218	E	98	Very high	86.1	Confident	18 Å²	18	43.7 Å²	43.7	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129	176.8	-59.4	-179.8	102.3	0	0	109.9	Q58 R59 R61 K164 I165 L216	Q58-E218 CarbonylContact C-O 3.46Å; Q58-E218 WeakPolarHBondContact CA-O 3.37Å; R59-E218 HydrophobicContact CB-CB 4.43Å; R59-E218 PolarHBondContact N-O 3.5Å; R59-E218 IonicContact NH1-OE2 3.25Å; R59-E218 PolarHBondContact O-N 2.9Å; R61-E218 IonicContact CZ-OE2 3.1Å; R61-E218 IonicContact NE-OE2 3.63Å; R61-E218 IonicContact NH2-OE1 2.76Å; R61-E218 IonicContact NH2-OE2 3.91Å; R61-E218 PolarHBondContact NH2-OE2 3.46Å; K164-E218 IonicContact NZ-OE1 3.86Å; K164-E218 PolarHBondContact NZ-OE1 2.97Å; I165-E218 CarbonylContact O-C 3.5Å; I165-E218 WeakPolarHBondContact O-CA 3.29Å; L216-E218 HydrophobicContact CD1-CG 4.33Å; L216-E218 HydrophobicContact CD2-CG 4.2Å; L216-E218 HydrophobicContact CG-CG 4.01Å
219	F	97.9	Very high	85.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.6	169.6	-50.3	-94	0	0	0	108.2	Y56 S57 Q58 K164 I165 F167 I185 I204 V206 V217	Y56-F219 HydrophobicContact CD1-CB 3.9Å; Y56-F219 HydrophobicContact CE1-CB 4.5Å; S57-F219 CarbonylContact O-C 3.6Å; S57-F219 WeakPolarHBondContact O-CA 3.48Å; Q58-F219 HydrophobicContact CB-CD1 4.24Å; Q58-F219 HydrophobicContact CB-CE1 4.36Å; Q58-F219 HydrophobicContact CG-CD1 4.16Å; Q58-F219 HydrophobicContact CG-CE1 3.88Å; K164-F219 WeakPolarHBondContact CA-O 3.45Å; K164-F219 WeakPolarHBondContact CG-O 3.25Å; I165-F219 HydrophobicContact CB-CB 4.28Å; I165-F219 HydrophobicContact CB-CD2 4.22Å; I165-F219 HydrophobicContact CG2-CD2 4.19Å; I165-F219 PolarHBondContact N-O 3.36Å; I165-F219 PolarHBondContact O-N 3.28Å; F167-F219 HydrophobicContact CD1-CE2 4.36Å; F167-F219 AromaticContact CD2-CE2 3.57Å; F167-F219 HydrophobicContact CD2-CE2 3.57Å; F167-F219 HydrophobicContact CD2-CZ 4.03Å; F167-F219 HydrophobicContact CE1-CE2 4.13Å; F167-F219 HydrophobicContact CE2-CD2 4.43Å; F167-F219 AromaticContact CE2-CE2 3.3Å; F167-F219 HydrophobicContact CE2-CE2 3.3Å; F167-F219 AromaticContact CE2-CZ 3.61Å; F167-F219 HydrophobicContact CE2-CZ 3.61Å; F167-F219 HydrophobicContact CG-CE2 4.09Å; F167-F219 HydrophobicContact CZ-CD2 4.37Å; F167-F219 AromaticContact CZ-CE2 3.6Å; F167-F219 HydrophobicContact CZ-CE2 3.6Å; F167-F219 HydrophobicContact CZ-CZ 4.19Å; I185-F219 HydrophobicContact CD1-CB 4.01Å; I185-F219 HydrophobicContact CD1-CD1 3.71Å; I185-F219 HydrophobicContact CD1-CE1 4.31Å; I185-F219 HydrophobicContact CD1-CG 3.85Å; I185-F219 HydrophobicContact CG1-CD1 4Å; I185-F219 HydrophobicContact CG1-CE1 4.09Å; I185-F219 HydrophobicContact CG1-CG 4.45Å; I185-F219 HydrophobicContact CG2-CD2 4.28Å; I185-F219 HydrophobicContact CG2-CE2 4.19Å; I185-F219 HydrophobicContact CG2-CZ 4.3Å; I204-F219 HydrophobicContact CB-CD1 4.35Å; I204-F219 HydrophobicContact CB-CE1 3.96Å; I204-F219 HydrophobicContact CD1-CD1 4.2Å; I204-F219 HydrophobicContact CG2-CD1 4.03Å; I204-F219 HydrophobicContact CG2-CE1 3.55Å; V206-F219 HydrophobicContact CG2-CZ 3.89Å; V217-F219 HydrophobicContact CB-CE2 4.45Å; V217-F219 HydrophobicContact CG1-CD2 4.34Å; V217-F219 HydrophobicContact CG1-CE1 4.31Å; V217-F219 HydrophobicContact CG1-CE2 3.61Å; V217-F219 HydrophobicContact CG1-CZ 3.6Å
220	V	95.8	Very high	84.4	Confident	54 Å²	54	44.1 Å²	44.1	33%	0.327	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.2	-178.7	-178.1	0	0	0	0	108.1	Y56 S57 K164 I222	Y56-V220 CarbonylContact C-O 3.45Å; Y56-V220 VanDerWaalsContact CA-O 3.29Å; Y56-V220 WeakPolarHBondContact CA-O 3.25Å; S57-V220 PolarHBondContact N-O 2.91Å; S57-V220 PolarHBondContact O-N 2.86Å; K164-V220 HydrophobicContact CD-CG2 4.28Å; K164-V220 HydrophobicContact CG-CG2 4.14Å; V220-I222 PolarHBondContact O-N 3.32Å
221	P	92.6	Very high	83.7	Confident	50 Å²	50	45.6 Å²	45.6	33%	0.325	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	132.3	173.2	-25.3	33.9	0	0	0	110.6	K55 Y56 G163	K55-P221 WeakPolarHBondContact O-CA 3.32Å; Y56-P221 HydrophobicContact CD1-CG 4.3Å; Y56-P221 HydrophobicContact CE1-CB 4.34Å; Y56-P221 HydrophobicContact CE1-CG 3.72Å; G163-P221 VanDerWaalsContact C-CG 3.46Å; G163-P221 WeakPolarHBondContact O-CD 3.36Å; G163-P221 WeakPolarHBondContact O-CG 3.46Å
222	I	85.1	Confident	83.2	Confident	20 Å²	20	49.3 Å²	49.3	10%	0.103	26%	0.258	C	S	.	.			trans	-119.4	136.8	173.5	60.3	177.1	0	0	0	109.1	H52 K55 V220 I224	H52-I222 HydrophobicContact CB-CD1 4.39Å; K55-I222 PolarHBondContact O-N 3.13Å; V220-I222 PolarHBondContact O-N 3.32Å; I222-I224 HydrophobicContact CG1-CG1 4.4Å; I222-I224 PolarHBondContact O-N 3.22Å
223	E	70.3	Confident	82.7	Confident	134 Å²	134	49.6 Å²	49.6	63%	0.626	27%	0.265	S	S	*	.			trans	-76.5	110.9	160.4	-66.3	-175.7	-175.8	0	0	106.3	T225 N256	E223-T225 VanDerWaalsContact C-N 3.31Å; E223-T225 PolarHBondContact O-N 3.45Å; E223-N256 PolarHBondContact O-ND2 3.16Å
224	I	60.4	Low	82.2	Confident	20 Å²	20	52.4 Å²	52.4	10%	0.103	27%	0.273	C	S	.	.			trans	-74	92.3	174.5	-49	173.2	0	0	0	105.9	W35 Y54 I222	W35-I224 HydrophobicContact CH2-CG2 4.16Å; W35-I224 HydrophobicContact CZ3-CG2 4.4Å; Y54-I224 HydrophobicContact CD2-CD1 3.44Å; Y54-I224 VanDerWaalsContact CD2-CD1 3.44Å; Y54-I224 HydrophobicContact CE2-CD1 3.81Å; Y54-I224 HydrophobicContact CG-CD1 4.34Å; I222-I224 HydrophobicContact CG1-CG1 4.4Å; I222-I224 PolarHBondContact O-N 3.22Å
225	T	63.3	Low	81.5	Confident	40 Å²	40	48.9 Å²	48.9	25%	0.245	25%	0.254	C	S	.	.	S	Bend	trans	-131.5	-48.2	175.4	47.8	0	0	0	0	110.5	E223 Y229 M243	E223-T225 VanDerWaalsContact C-N 3.31Å; E223-T225 PolarHBondContact O-N 3.45Å; T225-Y229 WeakPolarHBondContact O-CE2 3.23Å; T225-M243 WeakPolarHBondContact OG1-CE 3.2Å; T225-M243 PolarHBondContact OG1-SD 2.9Å
226	C	67.6	Low	80.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-72	-34.7	-178.1	-58	0	0	0	0	112.8	E228 Y229 C245 C254 N256	C226-E228 PolarHBondContact O-N 3Å; C226-Y229 VanDerWaalsContact O-CD2 3.23Å; C226-Y229 WeakPolarHBondContact O-CD2 3.49Å; C226-Y229 PolarHBondContact O-N 3.37Å; C226-C245 HydrophobicContact CB-CB 3.79Å; C226-C245 WeakPolarHBondContact CB-SG 3.41Å; C226-C245 VanDerWaalsContact SG-CA 3.53Å; C226-C245 WeakPolarHBondContact SG-CB 3.11Å; C226-C245 CovalentContact SG-SG 2.02Å; C226-C245 PolarHBondContact SG-SG 3.32Å; C226-C254 HydrophobicContact CB-CB 4.44Å; C226-C254 WeakPolarHBondContact O-CB 3.17Å; C226-C254 PolarHBondContact O-SG 2.85Å; C226-C254 VanDerWaalsContact O-SG 3.42Å; C226-N256 WeakPolarHBondContact CB-OD1 3.33Å; C226-N256 PolarHBondContact SG-OD1 3.38Å
227	S	66.3	Low	79.5	Confident	21 Å²	21	58.4 Å²	58.4	15%	0.147	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-68.5	-6.8	-173.8	-53.3	0	0	0	0	115.1	Y229	S227-Y229 VanDerWaalsContact C-N 3.34Å
228	E	69.2	Low	77.9	Confident	104 Å²	104	59.1 Å²	59.1	49%	0.486	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-75.9	-24.6	173	-60.2	-171.2	161.9	0	0	112.2	C226	C226-E228 PolarHBondContact O-N 3Å
229	Y	73.8	Confident	76.1	Confident	72 Å²	72	65 Å²	65	28%	0.282	34%	0.335	S	S	.	.			trans	-82.2	121.1	-177.6	-53.9	-60.4	0	0	0	111.2	T225 C226 S227 E234 S238	T225-Y229 WeakPolarHBondContact O-CE2 3.23Å; C226-Y229 VanDerWaalsContact O-CD2 3.23Å; C226-Y229 WeakPolarHBondContact O-CD2 3.49Å; C226-Y229 PolarHBondContact O-N 3.37Å; S227-Y229 VanDerWaalsContact C-N 3.34Å; Y229-E234 HydrophobicContact CD1-CB 3.68Å; Y229-E234 HydrophobicContact CG-CB 4.02Å; Y229-S238 WeakPolarHBondContact CD2-OG 2.93Å; Y229-S238 WeakPolarHBondContact CE2-OG 3.01Å; Y229-S238 WeakPolarHBondContact OH-CB 3.14Å
230	N	72.9	Confident	74.2	Confident	136 Å²	136	68.8 Å²	68.8	73%	0.727	36%	0.358	S	S	*	.			trans	-100.2	-1	-177.2	-67.9	-49.4	0	0	0	113.1	E234	N230-E234 PolarHBondContact N-OE2 3.25Å
231	S	79	Confident	72	Confident	39 Å²	39	76.6 Å²	76.6	27%	0.273	39%	0.388	S	S	.	.	S	Bend	trans	-124.2	152.5	177.4	68	0	0	0	0	111.9	D233 E234 C235	S231-D233 VanDerWaalsContact C-N 3.26Å; S231-D233 PolarHBondContact O-N 3.1Å; S231-E234 PolarHBondContact O-N 2.76Å; S231-E234 VanDerWaalsContact OG-CB 3.24Å; S231-E234 WeakPolarHBondContact OG-CB 3.44Å; S231-E234 WeakPolarHBondContact OG-CG 3.27Å; S231-E234 PolarHBondContact OG-N 3.35Å; S231-E234 PolarHBondContact OG-OE2 3.16Å; S231-C235 VanDerWaalsContact O-CB 3.31Å; S231-C235 WeakPolarHBondContact O-CB 3.45Å; S231-C235 PolarHBondContact O-N 3.39Å
232	I	82	Confident	70.1	Confident	81 Å²	81	81.3 Å²	81.3	42%	0.415	41%	0.411	S	S	.	.	H	α-helix	trans	-56.9	-45.1	176.5	-62.8	169.8	0	0	0	109.9	C235 L236 W247	I232-C235 WeakPolarHBondContact O-CB 3.22Å; I232-C235 PolarHBondContact O-N 2.97Å; I232-L236 HydrophobicContact CG2-CD1 3.63Å; I232-L236 HydrophobicContact CG2-CG 4.26Å; I232-L236 WeakPolarHBondContact O-CB 3.49Å; I232-L236 VanDerWaalsContact O-CG 3.31Å; I232-L236 WeakPolarHBondContact O-CG 3.39Å; I232-L236 PolarHBondContact O-N 3.43Å; I232-W247 HydrophobicContact CB-CD2 4.32Å; I232-W247 HydrophobicContact CB-CG 4.41Å; I232-W247 HydrophobicContact CG1-CD2 3.6Å; I232-W247 VanDerWaalsContact CG1-CE2 3.45Å; I232-W247 HydrophobicContact CG1-CE3 4.23Å; I232-W247 HydrophobicContact CG1-CG 3.76Å; I232-W247 HydrophobicContact CG1-CZ2 3.97Å; I232-W247 HydrophobicContact CG2-CB 4.49Å; I232-W247 HydrophobicContact CG2-CG 4.45Å
233	D	81.4	Confident	68.9	Low	116 Å²	116	81.3 Å²	81.3	62%	0.62	41%	0.41	S	S	*	.	H	α-helix	trans	-66.3	-45	-176.4	-65.8	-37	0	0	0	112.2	S231 C235 N237	S231-D233 VanDerWaalsContact C-N 3.26Å; S231-D233 PolarHBondContact O-N 3.1Å; D233-C235 VanDerWaalsContact C-N 3.31Å; D233-C235 PolarHBondContact O-N 3.09Å; D233-N237 WeakPolarHBondContact O-CB 3.26Å; D233-N237 VanDerWaalsContact O-CG 3.23Å; D233-N237 PolarHBondContact O-N 2.95Å; D233-N237 PolarHBondContact O-ND2 3.31Å
234	E	81.5	Confident	68.9	Low	103 Å²	103	79.5 Å²	79.5	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-42.2	176.3	-72.3	166.1	168.6	0	0	111.1	Y229 N230 S231 S238	Y229-E234 HydrophobicContact CD1-CB 3.68Å; Y229-E234 HydrophobicContact CG-CB 4.02Å; N230-E234 PolarHBondContact N-OE2 3.25Å; S231-E234 PolarHBondContact O-N 2.76Å; S231-E234 VanDerWaalsContact OG-CB 3.24Å; S231-E234 WeakPolarHBondContact OG-CB 3.44Å; S231-E234 WeakPolarHBondContact OG-CG 3.27Å; S231-E234 PolarHBondContact OG-N 3.35Å; S231-E234 PolarHBondContact OG-OE2 3.16Å; E234-S238 WeakPolarHBondContact O-CB 3Å; E234-S238 PolarHBondContact O-N 3.14Å; E234-S238 VanDerWaalsContact O-N 3.1Å; E234-S238 PolarHBondContact O-OG 2.94Å
235	C	80.8	Confident	69.6	Low	0 Å²	0	79 Å²	79	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-58.2	-55.7	178	-175.9	0	0	0	0	111.8	S231 I232 D233 N237 S238 C245 W247 C254	S231-C235 VanDerWaalsContact O-CB 3.31Å; S231-C235 WeakPolarHBondContact O-CB 3.45Å; S231-C235 PolarHBondContact O-N 3.39Å; I232-C235 WeakPolarHBondContact O-CB 3.22Å; I232-C235 PolarHBondContact O-N 2.97Å; D233-C235 VanDerWaalsContact C-N 3.31Å; D233-C235 PolarHBondContact O-N 3.09Å; C235-N237 VanDerWaalsContact C-N 3.34Å; C235-N237 PolarHBondContact O-N 2.99Å; C235-S238 PolarHBondContact O-N 3.42Å; C235-S238 PolarHBondContact O-OG 3.37Å; C235-C245 WeakPolarHBondContact O-CB 3.04Å; C235-W247 HydrophobicContact CB-CE3 3.85Å; C235-C254 WeakPolarHBondContact CA-SG 3.32Å; C235-C254 HydrophobicContact CB-CB 3.5Å; C235-C254 WeakPolarHBondContact CB-SG 3.13Å; C235-C254 WeakPolarHBondContact SG-CA 3.4Å; C235-C254 WeakPolarHBondContact SG-CB 3.42Å; C235-C254 CovalentContact SG-SG 2.01Å; C235-C254 PolarHBondContact SG-SG 2.8Å
236	L	80.1	Confident	70.5	Confident	89 Å²	89	79.5 Å²	79.5	47%	0.466	40%	0.401	S	S	.	.	H	α-helix	trans	-71.5	-28.1	-174.1	-64.8	176.9	0	0	0	113	I232	I232-L236 HydrophobicContact CG2-CD1 3.63Å; I232-L236 HydrophobicContact CG2-CG 4.26Å; I232-L236 WeakPolarHBondContact O-CB 3.49Å; I232-L236 VanDerWaalsContact O-CG 3.31Å; I232-L236 WeakPolarHBondContact O-CG 3.39Å; I232-L236 PolarHBondContact O-N 3.43Å
237	N	74.7	Confident	71.1	Confident	130 Å²	130	81.3 Å²	81.3	70%	0.695	41%	0.408	S	S	*	.	H	α-helix	trans	-84.1	-13.8	178.1	-69.5	-44.9	0	0	0	113.3	D233 C235 K239	D233-N237 WeakPolarHBondContact O-CB 3.26Å; D233-N237 VanDerWaalsContact O-CG 3.23Å; D233-N237 PolarHBondContact O-N 2.95Å; D233-N237 PolarHBondContact O-ND2 3.31Å; C235-N237 VanDerWaalsContact C-N 3.34Å; C235-N237 PolarHBondContact O-N 2.99Å; N237-K239 PolarHBondContact O-N 2.9Å; N237-K239 VanDerWaalsContact O-N 3.07Å
238	S	64.3	Low	71.8	Confident	14 Å²	14	80.3 Å²	80.3	10%	0.098	40%	0.401	C	S	.	.			trans	-76.5	96	176.5	70.8	0	0	0	0	111	Y229 E234 C235 C245	Y229-S238 WeakPolarHBondContact CD2-OG 2.93Å; Y229-S238 WeakPolarHBondContact CE2-OG 3.01Å; Y229-S238 WeakPolarHBondContact OH-CB 3.14Å; E234-S238 WeakPolarHBondContact O-CB 3Å; E234-S238 PolarHBondContact O-N 3.14Å; E234-S238 VanDerWaalsContact O-N 3.1Å; E234-S238 PolarHBondContact O-OG 2.94Å; C235-S238 PolarHBondContact O-N 3.42Å; C235-S238 PolarHBondContact O-OG 3.37Å; S238-C245 PolarHBondContact OG-SG 3.34Å
239	K	60.5	Low	72.3	Confident	143 Å²	143	82 Å²	82	62%	0.622	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.4	169.4	-71.3	-167.8	175.1	-153.4	0	109.4	N237 E244	N237-K239 PolarHBondContact O-N 2.9Å; N237-K239 VanDerWaalsContact O-N 3.07Å; K239-E244 WeakPolarHBondContact CE-OE1 3.34Å; K239-E244 IonicContact NZ-OE1 2.69Å; K239-E244 PolarHBondContact NZ-OE1 3.1Å
240	T	57.8	Low	72.4	Confident	79 Å²	79	85.9 Å²	85.9	49%	0.485	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	161.4	164.2	53.5	0	0	0	0	109.2	N242 M243	T240-N242 PolarHBondContact O-N 2.93Å; T240-M243 PolarHBondContact N-O 3.46Å; T240-M243 PolarHBondContact O-N 3.23Å; T240-M243 WeakPolarHBondContact OG1-CB 3.23Å
241	F	49.1	Very low	72.3	Confident	218 Å²	218	81.1 Å²	81.1	96%	0.956	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.2	-171.6	-91	-88.4	0	0	0	114.6
242	N	51.6	Low	72.3	Confident	148 Å²	148	85 Å²	85	79%	0.791	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	8.5	-175.3	-71.5	-12.2	0	0	0	114.1	T240	T240-N242 PolarHBondContact O-N 2.93Å
243	M	61	Low	72.1	Confident	20 Å²	20	81.7 Å²	81.7	10%	0.099	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	134.1	-165.9	-163.7	173.2	179.1	0	0	113.5	T225 T240 N256	T225-M243 WeakPolarHBondContact OG1-CE 3.2Å; T225-M243 PolarHBondContact OG1-SD 2.9Å; T240-M243 PolarHBondContact N-O 3.46Å; T240-M243 PolarHBondContact O-N 3.23Å; T240-M243 WeakPolarHBondContact OG1-CB 3.23Å; M243-N256 HydrophobicContact CE-CB 3.43Å; M243-N256 VanDerWaalsContact CE-CB 3.43Å; M243-N256 WeakPolarHBondContact CE-ND2 3.34Å; M243-N256 WeakPolarHBondContact CE-OD1 3.41Å
244	E	70.3	Confident	71.9	Confident	97 Å²	97	76.2 Å²	76.2	45%	0.453	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.1	174.9	-172.5	161.7	-133.4	0	0	108.8	K239 S257	K239-E244 WeakPolarHBondContact CE-OE1 3.34Å; K239-E244 IonicContact NZ-OE1 2.69Å; K239-E244 PolarHBondContact NZ-OE1 3.1Å; E244-S257 WeakPolarHBondContact O-CB 2.94Å; E244-S257 PolarHBondContact O-N 3.21Å; E244-S257 PolarHBondContact O-OG 3.08Å; E244-S257 VanDerWaalsContact O-OG 3.08Å
245	C	75.6	Confident	71.6	Confident	9 Å²	9	71.3 Å²	71.3	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	144.1	176.4	-60.3	0	0	0	0	110.5	C226 C235 S238 C254 I255	C226-C245 HydrophobicContact CB-CB 3.79Å; C226-C245 WeakPolarHBondContact CB-SG 3.41Å; C226-C245 VanDerWaalsContact SG-CA 3.53Å; C226-C245 WeakPolarHBondContact SG-CB 3.11Å; C226-C245 CovalentContact SG-SG 2.02Å; C226-C245 PolarHBondContact SG-SG 3.32Å; C235-C245 WeakPolarHBondContact O-CB 3.04Å; S238-C245 PolarHBondContact OG-SG 3.34Å; C245-C254 VanDerWaalsContact CB-SG 3.55Å; C245-I255 CarbonylContact C-O 3.55Å; C245-I255 WeakPolarHBondContact CA-O 3.46Å
246	I	80.3	Confident	71.2	Confident	50 Å²	50	72 Å²	72	26%	0.256	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.9	178.2	-57.3	179	0	0	0	108.4	I255 V262	I246-I255 HydrophobicContact CB-CG1 4.43Å; I246-I255 PolarHBondContact N-O 2.97Å; I246-I255 WeakPolarHBondContact O-CG1 3.43Å; I246-I255 PolarHBondContact O-N 2.74Å; I246-V262 HydrophobicContact CD1-CG2 4.06Å
247	W	81.8	Confident	70.6	Confident	39 Å²	39	69.2 Å²	69.2	15%	0.148	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.1	171	-173.5	-98.2	0	0	0	110.7	I232 C235 N252 C254	I232-W247 HydrophobicContact CB-CD2 4.32Å; I232-W247 HydrophobicContact CB-CG 4.41Å; I232-W247 HydrophobicContact CG1-CD2 3.6Å; I232-W247 VanDerWaalsContact CG1-CE2 3.45Å; I232-W247 HydrophobicContact CG1-CE3 4.23Å; I232-W247 HydrophobicContact CG1-CG 3.76Å; I232-W247 HydrophobicContact CG1-CZ2 3.97Å; I232-W247 HydrophobicContact CG2-CB 4.49Å; I232-W247 HydrophobicContact CG2-CG 4.45Å; C235-W247 HydrophobicContact CB-CE3 3.85Å; W247-N252 HydrophobicContact CZ2-CB 4.35Å; W247-C254 HydrophobicContact CE3-CB 4.12Å; W247-C254 HydrophobicContact CZ3-CB 4.34Å
248	C	79.8	Confident	70	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	105.2	173.3	-167.2	0	0	0	0	109.8	K250 T251 N252 M253 I255 C265	C248-K250 VanDerWaalsContact C-N 3.32Å; C248-K250 PolarHBondContact O-N 3.07Å; C248-T251 WeakPolarHBondContact CB-OG1 3.04Å; C248-T251 PolarHBondContact O-N 3.04Å; C248-T251 PolarHBondContact SG-OG1 2.05Å; C248-N252 WeakPolarHBondContact O-CA 3.32Å; C248-N252 PolarHBondContact O-N 3.41Å; C248-M253 HydrophobicContact CB-CG 4.32Å; C248-M253 PolarHBondContact N-O 3.13Å; C248-M253 PolarHBondContact O-N 2.02Å; C248-I255 HydrophobicContact CB-CD1 4.11Å; C248-I255 HydrophobicContact CB-CG1 4.3Å; C248-C265 HydrophobicContact CB-CB 4.03Å; C248-C265 WeakPolarHBondContact CB-SG 3.42Å; C248-C265 WeakPolarHBondContact SG-CB 3.08Å; C248-C265 CovalentContact SG-SG 2.05Å; C248-C265 PolarHBondContact SG-SG 3.22Å
249	E	79.5	Confident	69.8	Low	140 Å²	140	70.3 Å²	70.3	65%	0.654	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-61.8	-39	-178.6	-67.3	-174.8	169.4	0	0	112.5	T251 N252	E249-T251 PolarHBondContact O-N 3.42Å; E249-T251 VanDerWaalsContact O-N 3.14Å; E249-N252 PolarHBondContact O-N 2.97Å; E249-N252 PolarHBondContact O-OD1 3.34Å
250	K	76	Confident	69.6	Low	152 Å²	152	69.3 Å²	69.3	66%	0.661	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-56.8	-33.2	-179.5	-172.8	177	-178	178	0	112.8	C248	C248-K250 VanDerWaalsContact C-N 3.32Å; C248-K250 PolarHBondContact O-N 3.07Å
251	T	72.4	Confident	69.4	Low	37 Å²	37	65.9 Å²	65.9	23%	0.227	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-116.1	2.9	-173.3	49.2	0	0	0	0	112.5	I42 C248 E249 M253	I42-T251 HydrophobicContact CG2-CG2 3.91Å; C248-T251 WeakPolarHBondContact CB-OG1 3.04Å; C248-T251 PolarHBondContact O-N 3.04Å; C248-T251 PolarHBondContact SG-OG1 2.05Å; E249-T251 PolarHBondContact O-N 3.42Å; E249-T251 VanDerWaalsContact O-N 3.14Å; T251-M253 VanDerWaalsContact C-N 3.31Å; T251-M253 PolarHBondContact O-N 2.84Å; T251-M253 WeakPolarHBondContact OG1-CG 3.05Å; T251-M253 PolarHBondContact OG1-SD 2.86Å; T251-M253 VanDerWaalsContact OG1-SD 3.34Å
252	N	79.1	Confident	69.7	Low	121 Å²	121	57 Å²	57	65%	0.647	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.3	54.1	-175.4	-77	-34.7	0	0	0	112.5	W247 C248 E249	W247-N252 HydrophobicContact CZ2-CB 4.35Å; C248-N252 WeakPolarHBondContact O-CA 3.32Å; C248-N252 PolarHBondContact O-N 3.41Å; E249-N252 PolarHBondContact O-N 2.97Å; E249-N252 PolarHBondContact O-OD1 3.34Å
253	M	75.8	Confident	69.8	Low	10 Å²	10	58.4 Å²	58.4	5%	0.049	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.3	-176.5	54.1	173.1	47.4	0	0	112.7	K40 I42 C248 T251 I255	K40-M253 HydrophobicContact CD-CE 3.51Å; K40-M253 HydrophobicContact CG-CE 4.05Å; I42-M253 HydrophobicContact CD1-SD 4.27Å; I42-M253 HydrophobicContact CG1-CE 3.92Å; I42-M253 HydrophobicContact CG1-SD 3.96Å; I42-M253 HydrophobicContact CG2-SD 4.1Å; C248-M253 HydrophobicContact CB-CG 4.32Å; C248-M253 PolarHBondContact N-O 3.13Å; C248-M253 PolarHBondContact O-N 2.02Å; T251-M253 VanDerWaalsContact C-N 3.31Å; T251-M253 PolarHBondContact O-N 2.84Å; T251-M253 WeakPolarHBondContact OG1-CG 3.05Å; T251-M253 PolarHBondContact OG1-SD 2.86Å; T251-M253 VanDerWaalsContact OG1-SD 3.34Å; M253-I255 HydrophobicContact CG-CG2 3.88Å; M253-I255 HydrophobicContact SD-CG2 3.67Å
254	C	78.5	Confident	69.6	Low	1 Å²	1	61.3 Å²	61.3	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.4	167.3	-167.9	0	0	0	0	110.7	C226 C235 C245 W247	C226-C254 HydrophobicContact CB-CB 4.44Å; C226-C254 WeakPolarHBondContact O-CB 3.17Å; C226-C254 PolarHBondContact O-SG 2.85Å; C226-C254 VanDerWaalsContact O-SG 3.42Å; C235-C254 WeakPolarHBondContact CA-SG 3.32Å; C235-C254 HydrophobicContact CB-CB 3.5Å; C235-C254 WeakPolarHBondContact CB-SG 3.13Å; C235-C254 WeakPolarHBondContact SG-CA 3.4Å; C235-C254 WeakPolarHBondContact SG-CB 3.42Å; C235-C254 CovalentContact SG-SG 2.01Å; C235-C254 PolarHBondContact SG-SG 2.8Å; C245-C254 VanDerWaalsContact CB-SG 3.55Å; W247-C254 HydrophobicContact CE3-CB 4.12Å; W247-C254 HydrophobicContact CZ3-CB 4.34Å
255	I	75.5	Confident	69.2	Low	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	160.3	-178.9	61.6	166.9	0	0	0	110.8	C245 I246 C248 M253 V262	C245-I255 CarbonylContact C-O 3.55Å; C245-I255 WeakPolarHBondContact CA-O 3.46Å; I246-I255 HydrophobicContact CB-CG1 4.43Å; I246-I255 PolarHBondContact N-O 2.97Å; I246-I255 WeakPolarHBondContact O-CG1 3.43Å; I246-I255 PolarHBondContact O-N 2.74Å; C248-I255 HydrophobicContact CB-CD1 4.11Å; C248-I255 HydrophobicContact CB-CG1 4.3Å; M253-I255 HydrophobicContact CG-CG2 3.88Å; M253-I255 HydrophobicContact SD-CG2 3.67Å; I255-V262 HydrophobicContact CD1-CG2 4.32Å
256	N	71.5	Confident	68.1	Low	14 Å²	14	63.5 Å²	63.5	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	138.7	176.5	-49.4	-19.1	0	0	0	109.2	E223 C226 M243 H258 E259	E223-N256 PolarHBondContact O-ND2 3.16Å; C226-N256 WeakPolarHBondContact CB-OD1 3.33Å; C226-N256 PolarHBondContact SG-OD1 3.38Å; M243-N256 HydrophobicContact CE-CB 3.43Å; M243-N256 VanDerWaalsContact CE-CB 3.43Å; M243-N256 WeakPolarHBondContact CE-ND2 3.34Å; M243-N256 WeakPolarHBondContact CE-OD1 3.41Å; N256-H258 PolarHBondContact O-N 3.12Å; N256-H258 VanDerWaalsContact O-N 3.09Å; N256-E259 HydrophobicContact CB-CG 4.18Å; N256-E259 WeakPolarHBondContact O-CB 2.9Å; N256-E259 PolarHBondContact O-N 3.3Å
257	S	67	Low	66.4	Low	31 Å²	31	67.9 Å²	67.9	22%	0.217	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.6	-179.2	64.2	0	0	0	0	114.3	E244 E259 V262	E244-S257 WeakPolarHBondContact O-CB 2.94Å; E244-S257 PolarHBondContact O-N 3.21Å; E244-S257 PolarHBondContact O-OG 3.08Å; E244-S257 VanDerWaalsContact O-OG 3.08Å; S257-E259 VanDerWaalsContact C-N 3.31Å; S257-V262 WeakPolarHBondContact O-CG2 3.34Å
258	H	63.3	Low	64	Low	153 Å²	153	74.7 Å²	74.7	71%	0.708	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-5	178.3	-65.5	-74.3	0	0	0	114	N256 L260	N256-H258 PolarHBondContact O-N 3.12Å; N256-H258 VanDerWaalsContact O-N 3.09Å; H258-L260 PolarHBondContact O-N 3.14Å
259	E	60.4	Low	61.6	Low	14 Å²	14	81.8 Å²	81.8	7%	0.065	41%	0.405	C	S	.	.	S	Bend	trans	-70.5	128.8	177	-73.9	-168.2	-136.4	0	0	111.3	Y50 H52 N256 S257 I261 V262	Y50-E259 PolarHBondContact OH-OE2 2.78Å; H52-E259 IonicContact CD2-OE2 3.75Å; H52-E259 IonicContact CE1-OE1 2.79Å; H52-E259 PolarHBondContact CE1-OE1 3.29Å; H52-E259 IonicContact CE1-OE2 2.69Å; H52-E259 PolarHBondContact CE1-OE2 3.05Å; H52-E259 IonicContact NE2-OE1 3.99Å; H52-E259 PolarHBondContact NE2-OE1 2.94Å; H52-E259 IonicContact NE2-OE2 3.22Å; H52-E259 PolarHBondContact NE2-OE2 3.16Å; N256-E259 HydrophobicContact CB-CG 4.18Å; N256-E259 WeakPolarHBondContact O-CB 2.9Å; N256-E259 PolarHBondContact O-N 3.3Å; S257-E259 VanDerWaalsContact C-N 3.31Å; E259-I261 PolarHBondContact O-N 3.49Å; E259-I261 WeakPolarHBondContact OE2-CD1 3.31Å; E259-V262 VanDerWaalsContact O-CG2 3.27Å; E259-V262 WeakPolarHBondContact O-CG2 3.42Å; E259-V262 PolarHBondContact O-N 3.28Å
260	L	54.9	Low	59.2	Low	122 Å²	122	83.6 Å²	83.6	64%	0.639	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-15.3	179.2	-83.4	119.8	0	0	0	114.2	R59 H258 V262	R59-L260 VanDerWaalsContact NH2-CD1 3.27Å; H258-L260 PolarHBondContact O-N 3.14Å; L260-V262 PolarHBondContact O-N 3.3Å
261	I	54.2	Low	57	Low	7 Å²	7	83 Å²	83	4%	0.036	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.7	174.7	-49.1	161	0	0	0	112	I42 Y50 E259 K263 D264 C265	I42-I261 HydrophobicContact CD1-CD1 4.06Å; I42-I261 HydrophobicContact CG2-CD1 3.74Å; I42-I261 HydrophobicContact CG2-CG2 4.47Å; Y50-I261 HydrophobicContact CD1-CD1 3.32Å; Y50-I261 HydrophobicContact CD1-CG1 3.93Å; Y50-I261 HydrophobicContact CE1-CD1 3.01Å; Y50-I261 HydrophobicContact CE1-CG1 3.82Å; Y50-I261 HydrophobicContact CG-CD1 4.39Å; E259-I261 PolarHBondContact O-N 3.49Å; E259-I261 WeakPolarHBondContact OE2-CD1 3.31Å; I261-K263 PolarHBondContact O-N 3.02Å; I261-D264 HydrophobicContact CG2-CB 3.95Å; I261-D264 CarbonylContact O-C 3.56Å; I261-D264 WeakPolarHBondContact O-CA 3.39Å; I261-D264 PolarHBondContact O-N 3.48Å; I261-C265 PolarHBondContact O-N 3.34Å
262	V	55.5	Low	55	Low	30 Å²	30	86.1 Å²	86.1	18%	0.182	45%	0.449	C	S	.	.	H	α-helix	trans	-51.8	-31	175.9	171	0	0	0	0	111.3	I246 I255 S257 E259 L260 C265 H266	I246-V262 HydrophobicContact CD1-CG2 4.06Å; I255-V262 HydrophobicContact CD1-CG2 4.32Å; S257-V262 WeakPolarHBondContact O-CG2 3.34Å; E259-V262 VanDerWaalsContact O-CG2 3.27Å; E259-V262 WeakPolarHBondContact O-CG2 3.42Å; E259-V262 PolarHBondContact O-N 3.28Å; L260-V262 PolarHBondContact O-N 3.3Å; V262-C265 PolarHBondContact O-N 2.01Å; V262-H266 PolarHBondContact O-CD2 3.41Å; V262-H266 PolarHBondContact O-N 3.34Å
263	K	54.2	Low	52.6	Low	179 Å²	179	88.5 Å²	88.5	78%	0.778	46%	0.456	S	S	*	.	H	α-helix	trans	-65.6	-35.2	171.9	-66.7	-169	177.6	-171.9	0	114.6	I261	I261-K263 PolarHBondContact O-N 3.02Å
264	D	56.6	Low	50.5	Low	81 Å²	81	95.5 Å²	95.5	43%	0.433	49%	0.492	S	S	.	.	H	α-helix	trans	-84.9	-15.8	177.7	-74	-24.6	0	0	0	113.3	I261	I261-D264 HydrophobicContact CG2-CB 3.95Å; I261-D264 CarbonylContact O-C 3.56Å; I261-D264 WeakPolarHBondContact O-CA 3.39Å; I261-D264 PolarHBondContact O-N 3.48Å
265	C	62	Low	48.4	Very low	24 Å²	24	100.5 Å²	100.5	16%	0.162	52%	0.517	C	S	.	.	H	α-helix	trans	-82.9	-21.1	173	-63.1	0	0	0	0	112.3	C248 I261 V262	C248-C265 HydrophobicContact CB-CB 4.03Å; C248-C265 WeakPolarHBondContact CB-SG 3.42Å; C248-C265 WeakPolarHBondContact SG-CB 3.08Å; C248-C265 CovalentContact SG-SG 2.05Å; C248-C265 PolarHBondContact SG-SG 3.22Å; I261-C265 PolarHBondContact O-N 3.34Å; V262-C265 PolarHBondContact O-N 2.01Å
266	H	52.9	Low	46.3	Very low	127 Å²	127	105.8 Å²	105.8	59%	0.588	55%	0.549	S	S	*	.	S	Bend	trans	-88.6	115.6	172.5	-72.5	-59.3	0	0	0	110.6	V262 E268	V262-H266 PolarHBondContact O-CD2 3.41Å; V262-H266 PolarHBondContact O-N 3.34Å; H266-E268 PolarHBondContact O-N 2.76Å; H266-E268 VanDerWaalsContact O-N 3.13Å
267	I	43.1	Very low	44.6	Very low	142 Å²	142	114.7 Å²	114.7	73%	0.728	58%	0.583	S	S	*	*			trans	-66.4	108.2	171.1	-60.6	170	0	0	0	107.8	N269	I267-N269 PolarHBondContact O-N 2.81Å
268	E	32.7	Very low	43	Very low	182 Å²	182	118.1 Å²	118.1	85%	0.85	61%	0.607	S	S	*	*	S	Bend	trans	-63.3	119.1	161.5	-77.5	-174.8	165.9	0	0	108.2	H266	H266-E268 PolarHBondContact O-N 2.76Å; H266-E268 VanDerWaalsContact O-N 3.13Å
269	N	29.1	Very low	41.7	Very low	149 Å²	149	119.1 Å²	119.1	80%	0.797	61%	0.61	S	S	*	*			trans	84.6	91.8	175	-59.2	-29.1	0	0	0	118.6	I267	I267-N269 PolarHBondContact O-N 2.81Å
270	M	29	Very low	40.6	Very low	179 Å²	179	124.2 Å²	124.2	88%	0.882	64%	0.644	S	S	*	*				-162.6	120.9	116.4	-119.9	179.4	176.4	0	0	111.3	S272	M270-S272 PolarHBondContact O-N 3.45Å
271	T	28.7	Very low	39.8	Very low	138 Å²	138	124.1 Å²	124.1	85%	0.847	64%	0.644	S	S	*	*			trans	-56.2	111.9	162.8	40.5	0	0	0	0	110.8
272	S	30.9	Very low	39.5	Very low	104 Å²	104	126.1 Å²	126.1	73%	0.727	67%	0.667	S	S	*	*			trans	179.8	131.5	142.9	28.5	0	0	0	0	110.3	M270	M270-S272 PolarHBondContact O-N 3.45Å
273	E	29.9	Very low	39.2	Very low	171 Å²	171	129.6 Å²	129.6	80%	0.799	69%	0.688	S	S	*	*			trans	60.8	85.3	165.4	-65.3	-175	162.8	0	0	118	I275	E273-I275 HydrophobicContact CB-CG1 4.43Å; E273-I275 PolarHBondContact O-N 3.32Å
274	I	31.9	Very low	39.1	Very low	157 Å²	157	125.9 Å²	125.9	81%	0.805	68%	0.676	S	S	*	*			trans	-60.5	90.4	148.3	-57.6	174.1	0	0	0	107.6	V276	I274-V276 HydrophobicContact CG2-CB 4.36Å; I274-V276 HydrophobicContact CG2-CG2 3.27Å; I274-V276 PolarHBondContact O-N 3.1Å; I274-V276 VanDerWaalsContact O-N 3.15Å
275	I	34	Very low	39.3	Very low	105 Å²	105	130 Å²	130	54%	0.538	69%	0.687	S	S	.	*			trans	-79.3	85	155.5	-55.1	-179.9	0	0	0	105.9	E273 Y277	E273-I275 HydrophobicContact CB-CG1 4.43Å; E273-I275 PolarHBondContact O-N 3.32Å; I275-Y277 VanDerWaalsContact C-N 3.26Å; I275-Y277 HydrophobicContact CB-CD2 4.45Å; I275-Y277 HydrophobicContact CB-CE2 4.25Å; I275-Y277 HydrophobicContact CG2-CD1 4.42Å; I275-Y277 HydrophobicContact CG2-CD2 3.55Å; I275-Y277 HydrophobicContact CG2-CE1 4.26Å; I275-Y277 HydrophobicContact CG2-CE2 3.36Å; I275-Y277 HydrophobicContact CG2-CG 4.1Å; I275-Y277 PolarHBondContact O-N 2.95Å
276	V	31.8	Very low	39.3	Very low	112 Å²	112	136.7 Å²	136.7	68%	0.679	71%	0.71	S	S	*	*			trans	-63.5	97.8	157.3	177.2	0	0	0	0	105.5	I274 S278	I274-V276 HydrophobicContact CG2-CB 4.36Å; I274-V276 HydrophobicContact CG2-CG2 3.27Å; I274-V276 PolarHBondContact O-N 3.1Å; I274-V276 VanDerWaalsContact O-N 3.15Å; V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 3.43Å
277	Y	34.7	Very low	39.9	Very low	202 Å²	202	135.7 Å²	135.7	79%	0.792	71%	0.708	S	S	*	*			trans	-65.2	103.5	161.2	-82.1	-78.4	0	0	0	107.3	I275 K279	I275-Y277 VanDerWaalsContact C-N 3.26Å; I275-Y277 HydrophobicContact CB-CD2 4.45Å; I275-Y277 HydrophobicContact CB-CE2 4.25Å; I275-Y277 HydrophobicContact CG2-CD1 4.42Å; I275-Y277 HydrophobicContact CG2-CD2 3.55Å; I275-Y277 HydrophobicContact CG2-CE1 4.26Å; I275-Y277 HydrophobicContact CG2-CE2 3.36Å; I275-Y277 HydrophobicContact CG2-CG 4.1Å; I275-Y277 PolarHBondContact O-N 2.95Å; Y277-K279 PolarHBondContact O-N 3.13Å
278	S	33.4	Very low	41.2	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	70%	0.701	S	S	*	*			trans	-57.9	116.3	172.8	44.4	0	0	0	0	109.5	V276	V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 3.43Å
279	K	35.9	Very low	43.2	Very low	173 Å²	173	129.3 Å²	129.3	75%	0.752	68%	0.677	S	S	*	*			trans	-30.6	121.7	164.8	-170.2	175.5	-169.8	171.8	0	112.2	Y277 N281	Y277-K279 PolarHBondContact O-N 3.13Å; K279-N281 PolarHBondContact O-N 3.27Å
280	P	36.9	Very low	45.4	Very low	121 Å²	121	124.4 Å²	124.4	79%	0.786	65%	0.652	S	S	*	*			trans	-70.8	125.4	161.9	28.7	-28.2	0	0	0	107.7	G282	P280-G282 PolarHBondContact O-N 3.07Å
281	N	39.3	Very low	47.9	Very low	121 Å²	121	120.3 Å²	120.3	65%	0.647	63%	0.633	S	S	*	*			trans	-33.5	102.1	-179.2	-66.7	-32.7	0	0	0	114.6	K279 T283 L284	K279-N281 PolarHBondContact O-N 3.27Å; N281-T283 PolarHBondContact O-N 2.79Å; N281-L284 PolarHBondContact O-N 2.96Å
282	G	47	Very low	50.6	Low	49 Å²	49	117 Å²	117	51%	0.505	61%	0.614	S	S	.	*	H	α-helix	trans	-60.8	-9.7	173.3	0	0	0	0	0	114.4	P280 L284	P280-G282 PolarHBondContact O-N 3.07Å; G282-L284 VanDerWaalsContact C-N 3.35Å
283	T	50	Low	53.2	Low	103 Å²	103	117.1 Å²	117.1	63%	0.632	61%	0.605	S	S	*	*	H	α-helix	trans	-70.5	-25	170.9	27.3	0	0	0	0	113.4	N281	N281-T283 PolarHBondContact O-N 2.79Å
284	L	52	Low	55.9	Low	101 Å²	101	112 Å²	112	53%	0.529	59%	0.586	S	S	.	*	H	α-helix	trans	-79.7	-34	178.8	-142.9	87.6	0	0	0	112.3	N281 G282 L287 Q288	N281-L284 PolarHBondContact O-N 2.96Å; G282-L284 VanDerWaalsContact C-N 3.35Å; L284-L287 PolarHBondContact O-N 3.46Å; L284-Q288 WeakPolarHBondContact O-CB 3.09Å; L284-Q288 WeakPolarHBondContact O-CG 3.31Å; L284-Q288 PolarHBondContact O-N 3.4Å
285	Y	60.6	Low	58.6	Low	166 Å²	166	109.1 Å²	109.1	65%	0.651	57%	0.571	S	S	*	*	H	α-helix	trans	-68.9	-39.3	-177.9	-152.2	-100.2	0	0	0	112	Q288 I289	Y285-Q288 PolarHBondContact O-N 3.24Å; Y285-I289 HydrophobicContact CD1-CD1 3.74Å; Y285-I289 HydrophobicContact CD2-CD1 4.15Å; Y285-I289 HydrophobicContact CE1-CD1 3.26Å; Y285-I289 HydrophobicContact CE2-CD1 3.72Å; Y285-I289 HydrophobicContact CG-CD1 4.17Å; Y285-I289 PolarHBondContact O-N 2.82Å; Y285-I289 VanDerWaalsContact O-N 3.13Å
286	Y	62.6	Low	61.2	Low	166 Å²	166	109.7 Å²	109.7	65%	0.651	58%	0.575	S	S	*	*	I	π-helix	trans	-64.2	-42.3	174.6	-162.3	-90.9	0	0	0	111.4	V290	Y286-V290 HydrophobicContact CD1-CB 4.31Å; Y286-V290 HydrophobicContact CD1-CG2 4.37Å; Y286-V290 HydrophobicContact CD2-CG2 3.74Å; Y286-V290 HydrophobicContact CE1-CB 4.27Å; Y286-V290 HydrophobicContact CE1-CG1 4.18Å; Y286-V290 HydrophobicContact CE1-CG2 4.49Å; Y286-V290 HydrophobicContact CE2-CB 4.47Å; Y286-V290 HydrophobicContact CE2-CG1 4.41Å; Y286-V290 HydrophobicContact CE2-CG2 3.87Å; Y286-V290 HydrophobicContact CG-CB 4.42Å; Y286-V290 HydrophobicContact CG-CG2 4.01Å; Y286-V290 WeakPolarHBondContact O-CB 3.5Å; Y286-V290 WeakPolarHBondContact O-CG2 3.21Å; Y286-V290 PolarHBondContact O-N 3.04Å
287	L	65.4	Low	63.8	Low	105 Å²	105	110.8 Å²	110.8	55%	0.55	57%	0.571	S	S	.	*	I	π-helix	trans	-69.1	-36	177.7	-93.5	158.3	0	0	0	113.3	L284 L291	L284-L287 PolarHBondContact O-N 3.46Å; L287-L291 HydrophobicContact CD2-CD2 4.43Å; L287-L291 WeakPolarHBondContact O-CB 3.48Å
288	Q	70.3	Confident	66.5	Low	124 Å²	124	109.3 Å²	109.3	58%	0.579	56%	0.563	S	S	*	*	I	π-helix	trans	-81.3	-28.9	-176	-74.5	-178.4	-20.7	0	0	114.1	L284 Y285 P292	L284-Q288 WeakPolarHBondContact O-CB 3.09Å; L284-Q288 WeakPolarHBondContact O-CG 3.31Å; L284-Q288 PolarHBondContact O-N 3.4Å; Y285-Q288 PolarHBondContact O-N 3.24Å; Q288-P292 VanDerWaalsContact O-CD 3.29Å; Q288-P292 WeakPolarHBondContact O-CD 3.21Å; Q288-P292 WeakPolarHBondContact O-CG 3.24Å
289	I	73.9	Confident	69.2	Low	66 Å²	66	108.6 Å²	108.6	34%	0.338	56%	0.555	S	S	.	*	I	π-helix	trans	-107.2	-44.2	-176.5	-67.5	164.3	0	0	0	112	Y285 P292 I293	Y285-I289 HydrophobicContact CD1-CD1 3.74Å; Y285-I289 HydrophobicContact CD2-CD1 4.15Å; Y285-I289 HydrophobicContact CE1-CD1 3.26Å; Y285-I289 HydrophobicContact CE2-CD1 3.72Å; Y285-I289 HydrophobicContact CG-CD1 4.17Å; Y285-I289 PolarHBondContact O-N 2.82Å; Y285-I289 VanDerWaalsContact O-N 3.13Å; I289-P292 WeakPolarHBondContact O-CD 3.49Å; I289-I293 HydrophobicContact CG2-CD1 3.82Å; I289-I293 WeakPolarHBondContact O-CD1 3.42Å; I289-I293 VanDerWaalsContact O-CG1 3.27Å; I289-I293 WeakPolarHBondContact O-CG1 3.21Å; I289-I293 PolarHBondContact O-N 3.32Å
290	V	76.1	Confident	71.8	Confident	46 Å²	46	104.5 Å²	104.5	28%	0.279	54%	0.544	S	S	.	.	I	π-helix	trans	-73.3	-37.6	-175	-174.2	0	0	0	0	111	Y286 I293 V294	Y286-V290 HydrophobicContact CD1-CB 4.31Å; Y286-V290 HydrophobicContact CD1-CG2 4.37Å; Y286-V290 HydrophobicContact CD2-CG2 3.74Å; Y286-V290 HydrophobicContact CE1-CB 4.27Å; Y286-V290 HydrophobicContact CE1-CG1 4.18Å; Y286-V290 HydrophobicContact CE1-CG2 4.49Å; Y286-V290 HydrophobicContact CE2-CB 4.47Å; Y286-V290 HydrophobicContact CE2-CG1 4.41Å; Y286-V290 HydrophobicContact CE2-CG2 3.87Å; Y286-V290 HydrophobicContact CG-CB 4.42Å; Y286-V290 HydrophobicContact CG-CG2 4.01Å; Y286-V290 WeakPolarHBondContact O-CB 3.5Å; Y286-V290 WeakPolarHBondContact O-CG2 3.21Å; Y286-V290 PolarHBondContact O-N 3.04Å; V290-I293 PolarHBondContact O-N 3.47Å; V290-V294 HydrophobicContact CG1-CG2 4.12Å; V290-V294 WeakPolarHBondContact O-CB 3.44Å; V290-V294 VanDerWaalsContact O-CG2 3.26Å; V290-V294 WeakPolarHBondContact O-CG2 3.44Å; V290-V294 PolarHBondContact O-N 2.88Å
291	L	80.4	Confident	74.2	Confident	93 Å²	93	101 Å²	101	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-62.5	-48.9	-179.6	-154.9	81.3	0	0	0	113.2	L287 I293 V294 I295	L287-L291 HydrophobicContact CD2-CD2 4.43Å; L287-L291 WeakPolarHBondContact O-CB 3.48Å; L291-I293 VanDerWaalsContact C-N 3.35Å; L291-I293 PolarHBondContact O-N 3.31Å; L291-V294 PolarHBondContact O-N 3.46Å; L291-I295 HydrophobicContact CD2-CD1 4.45Å; L291-I295 HydrophobicContact CG-CD1 4.17Å; L291-I295 WeakPolarHBondContact O-CD1 3.25Å; L291-I295 VanDerWaalsContact O-CG1 3.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.39Å; L291-I295 PolarHBondContact O-N 3.37Å
292	P	85.5	Confident	76.6	Confident	69 Å²	69	98.7 Å²	98.7	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-64.8	-34.5	175.8	12.2	-18.4	0	0	0	113.5	Q288 I289 I295 L296	Q288-P292 VanDerWaalsContact O-CD 3.29Å; Q288-P292 WeakPolarHBondContact O-CD 3.21Å; Q288-P292 WeakPolarHBondContact O-CG 3.24Å; I289-P292 WeakPolarHBondContact O-CD 3.49Å; P292-I295 PolarHBondContact O-N 2.67Å; P292-L296 VanDerWaalsContact O-CB 3.31Å; P292-L296 WeakPolarHBondContact O-CB 3.34Å; P292-L296 PolarHBondContact O-N 3.49Å
293	I	85.6	Confident	78.5	Confident	106 Å²	106	98 Å²	98	54%	0.544	51%	0.506	S	S	.	.	H	α-helix	trans	-64.5	-44.7	176	-67.5	169.5	0	0	0	110.6	I289 V290 L291 L296 F297	I289-I293 HydrophobicContact CG2-CD1 3.82Å; I289-I293 WeakPolarHBondContact O-CD1 3.42Å; I289-I293 VanDerWaalsContact O-CG1 3.27Å; I289-I293 WeakPolarHBondContact O-CG1 3.21Å; I289-I293 PolarHBondContact O-N 3.32Å; V290-I293 PolarHBondContact O-N 3.47Å; L291-I293 VanDerWaalsContact C-N 3.35Å; L291-I293 PolarHBondContact O-N 3.31Å; I293-L296 PolarHBondContact O-N 2.94Å; I293-F297 WeakPolarHBondContact O-CB 3.35Å; I293-F297 PolarHBondContact O-N 2.83Å
294	V	85.9	Confident	80.4	Confident	65 Å²	65	96 Å²	96	39%	0.394	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-46.6	176.6	172.6	0	0	0	0	110.1	V290 L291 L296 F297 W298	V290-V294 HydrophobicContact CG1-CG2 4.12Å; V290-V294 WeakPolarHBondContact O-CB 3.44Å; V290-V294 VanDerWaalsContact O-CG2 3.26Å; V290-V294 WeakPolarHBondContact O-CG2 3.44Å; V290-V294 PolarHBondContact O-N 2.88Å; L291-V294 PolarHBondContact O-N 3.46Å; V294-L296 VanDerWaalsContact C-N 3.35Å; V294-L296 PolarHBondContact O-N 3.5Å; V294-F297 WeakPolarHBondContact O-CB 3.37Å; V294-F297 PolarHBondContact O-N 3.42Å; V294-W298 PolarHBondContact O-N 3.23Å
295	I	89	Confident	82	Confident	95 Å²	95	95.9 Å²	95.9	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-59.6	-44.6	177.3	-67.4	164.5	0	0	0	111.1	L291 P292 F297 W298 V299	L291-I295 HydrophobicContact CD2-CD1 4.45Å; L291-I295 HydrophobicContact CG-CD1 4.17Å; L291-I295 WeakPolarHBondContact O-CD1 3.25Å; L291-I295 VanDerWaalsContact O-CG1 3.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.39Å; L291-I295 PolarHBondContact O-N 3.37Å; P292-I295 PolarHBondContact O-N 2.67Å; I295-F297 VanDerWaalsContact C-N 3.32Å; I295-F297 PolarHBondContact O-N 2.93Å; I295-W298 PolarHBondContact O-N 3.39Å; I295-V299 HydrophobicContact CG2-CG2 4.4Å; I295-V299 WeakPolarHBondContact O-CG2 3.37Å; I295-V299 PolarHBondContact O-N 3.13Å
296	L	89	Confident	83.2	Confident	118 Å²	118	92.6 Å²	92.6	62%	0.618	49%	0.491	S	S	*	.	H	α-helix	trans	-60.8	-42.8	177.3	-168.5	74.9	0	0	0	111.2	P292 I293 V294 W298 V299 V300	P292-L296 VanDerWaalsContact O-CB 3.31Å; P292-L296 WeakPolarHBondContact O-CB 3.34Å; P292-L296 PolarHBondContact O-N 3.49Å; I293-L296 PolarHBondContact O-N 2.94Å; V294-L296 VanDerWaalsContact C-N 3.35Å; V294-L296 PolarHBondContact O-N 3.5Å; L296-W298 PolarHBondContact O-N 3.39Å; L296-V299 PolarHBondContact O-N 3.47Å; L296-V300 WeakPolarHBondContact O-CG2 3.25Å; L296-V300 PolarHBondContact O-N 3.4Å
297	F	87.4	Confident	84.1	Confident	135 Å²	135	93.5 Å²	93.5	59%	0.592	49%	0.493	S	S	*	.	H	α-helix	trans	-60.7	-42.2	176.1	-176.1	-98.3	0	0	0	112.1	I293 V294 I295 V300 C301	I293-F297 WeakPolarHBondContact O-CB 3.35Å; I293-F297 PolarHBondContact O-N 2.83Å; V294-F297 WeakPolarHBondContact O-CB 3.37Å; V294-F297 PolarHBondContact O-N 3.42Å; I295-F297 VanDerWaalsContact C-N 3.32Å; I295-F297 PolarHBondContact O-N 2.93Å; F297-V300 PolarHBondContact O-N 3.38Å; F297-C301 WeakPolarHBondContact O-CB 3.33Å; F297-C301 PolarHBondContact O-N 3.17Å; F297-C301 PolarHBondContact O-SG 2.92Å
298	W	89.9	Confident	84.7	Confident	170 Å²	170	92.9 Å²	92.9	64%	0.644	49%	0.489	S	S	*	.	H	α-helix	trans	-67.4	-38.3	175.5	-73.7	104.9	0	0	0	112.7	V294 I295 L296 C301 T302	V294-W298 PolarHBondContact O-N 3.23Å; I295-W298 PolarHBondContact O-N 3.39Å; L296-W298 PolarHBondContact O-N 3.39Å; W298-C301 PolarHBondContact O-N 3.44Å; W298-T302 WeakPolarHBondContact O-CB 3.34Å; W298-T302 VanDerWaalsContact O-CG2 3.26Å; W298-T302 WeakPolarHBondContact O-CG2 3.5Å; W298-T302 PolarHBondContact O-N 3.44Å; W298-T302 PolarHBondContact O-OG1 2.93Å
299	V	90.3	Very high	85.2	Confident	89 Å²	89	93.3 Å²	93.3	54%	0.539	49%	0.486	S	S	.	.	H	α-helix	trans	-64.9	-43.2	175.9	172.6	0	0	0	0	111	I295 L296 T302 G303	I295-V299 HydrophobicContact CG2-CG2 4.4Å; I295-V299 WeakPolarHBondContact O-CG2 3.37Å; I295-V299 PolarHBondContact O-N 3.13Å; L296-V299 PolarHBondContact O-N 3.47Å; V299-T302 WeakPolarHBondContact CA-OG1 3.24Å; V299-T302 PolarHBondContact O-OG1 3.41Å; V299-T302 VanDerWaalsContact O-OG1 3.06Å; V299-G303 PolarHBondContact O-N 2.87Å
300	V	90.2	Very high	85.3	Confident	86 Å²	86	94.5 Å²	94.5	52%	0.521	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-46.6	175.7	173.8	0	0	0	0	110.6	L296 F297 T302 G303 C304	L296-V300 WeakPolarHBondContact O-CG2 3.25Å; L296-V300 PolarHBondContact O-N 3.4Å; F297-V300 PolarHBondContact O-N 3.38Å; V300-T302 PolarHBondContact O-N 2.97Å; V300-G303 PolarHBondContact O-N 3.31Å; V300-C304 WeakPolarHBondContact O-CB 3.27Å; V300-C304 PolarHBondContact O-N 3.32Å; V300-C304 PolarHBondContact O-SG 2.89Å
301	C	89	Confident	84.8	Confident	47 Å²	47	94.9 Å²	94.9	32%	0.318	50%	0.497	S	S	.	.	H	α-helix	trans	-60.8	-46.3	178.7	-72.8	0	0	0	0	112.2	F297 W298 C304 V305	F297-C301 WeakPolarHBondContact O-CB 3.33Å; F297-C301 PolarHBondContact O-N 3.17Å; F297-C301 PolarHBondContact O-SG 2.92Å; W298-C301 PolarHBondContact O-N 3.44Å; C301-C304 PolarHBondContact O-N 3.27Å; C301-V305 WeakPolarHBondContact O-CG2 3.31Å; C301-V305 PolarHBondContact O-N 3.18Å
302	T	88.8	Confident	84	Confident	73 Å²	73	98.9 Å²	98.9	45%	0.448	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-38.8	178.1	53.1	0	0	0	0	111.8	W298 V299 V300 V305 I306	W298-T302 WeakPolarHBondContact O-CB 3.34Å; W298-T302 VanDerWaalsContact O-CG2 3.26Å; W298-T302 WeakPolarHBondContact O-CG2 3.5Å; W298-T302 PolarHBondContact O-N 3.44Å; W298-T302 PolarHBondContact O-OG1 2.93Å; V299-T302 WeakPolarHBondContact CA-OG1 3.24Å; V299-T302 PolarHBondContact O-OG1 3.41Å; V299-T302 VanDerWaalsContact O-OG1 3.06Å; V300-T302 PolarHBondContact O-N 2.97Å; T302-V305 PolarHBondContact O-N 3.48Å; T302-I306 WeakPolarHBondContact O-CB 3.26Å; T302-I306 VanDerWaalsContact O-CG1 3.24Å; T302-I306 WeakPolarHBondContact O-CG1 3.5Å; T302-I306 PolarHBondContact O-N 2.93Å
303	G	87.8	Confident	82.6	Confident	36 Å²	36	102.6 Å²	102.6	37%	0.371	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-45.2	171.6	0	0	0	0	0	112.6	V299 V300 I306 W307	V299-G303 PolarHBondContact O-N 2.87Å; V300-G303 PolarHBondContact O-N 3.31Å; G303-I306 PolarHBondContact O-N 3.06Å; G303-W307 VanDerWaalsContact O-CB 3.25Å; G303-W307 WeakPolarHBondContact O-CB 3.15Å; G303-W307 PolarHBondContact O-N 2.9Å
304	C	87.9	Confident	81	Confident	59 Å²	59	106 Å²	106	40%	0.399	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-43.9	175.1	-72	0	0	0	0	112.1	V300 C301 W307 I308	V300-C304 WeakPolarHBondContact O-CB 3.27Å; V300-C304 PolarHBondContact O-N 3.32Å; V300-C304 PolarHBondContact O-SG 2.89Å; C301-C304 PolarHBondContact O-N 3.27Å; C304-W307 PolarHBondContact O-N 2.97Å; C304-I308 WeakPolarHBondContact O-CB 3.4Å; C304-I308 WeakPolarHBondContact O-CD1 3.24Å; C304-I308 WeakPolarHBondContact O-CG1 3.47Å; C304-I308 PolarHBondContact O-N 3.2Å
305	V	86.1	Confident	79.1	Confident	99 Å²	99	111.3 Å²	111.3	60%	0.6	54%	0.539	S	S	*	.	H	α-helix	trans	-64.7	-44.5	178.6	173.2	0	0	0	0	111.3	C301 T302 I308 W309	C301-V305 WeakPolarHBondContact O-CG2 3.31Å; C301-V305 PolarHBondContact O-N 3.18Å; T302-V305 PolarHBondContact O-N 3.48Å; V305-I308 PolarHBondContact O-N 2.94Å; V305-W309 WeakPolarHBondContact O-CB 3.47Å; V305-W309 PolarHBondContact O-N 3.46Å
306	I	86.4	Confident	76.9	Confident	97 Å²	97	113.5 Å²	113.5	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-64.5	-42.7	176.9	-66.7	165.1	0	0	0	110.3	T302 G303 W309 L310	T302-I306 WeakPolarHBondContact O-CB 3.26Å; T302-I306 VanDerWaalsContact O-CG1 3.24Å; T302-I306 WeakPolarHBondContact O-CG1 3.5Å; T302-I306 PolarHBondContact O-N 2.93Å; G303-I306 PolarHBondContact O-N 3.06Å; I306-W309 PolarHBondContact O-N 3.27Å; I306-L310 HydrophobicContact CG2-CD1 3.79Å; I306-L310 HydrophobicContact CG2-CG 4.21Å; I306-L310 WeakPolarHBondContact O-CB 3.47Å; I306-L310 WeakPolarHBondContact O-CG 3.26Å; I306-L310 PolarHBondContact O-N 3.37Å
307	W	81.7	Confident	74.4	Confident	185 Å²	185	118.3 Å²	118.3	70%	0.701	56%	0.562	S	S	*	*	H	α-helix	trans	-63.7	-43.7	177.6	-174.5	12.7	0	0	0	111.5	G303 C304 W309 L310 S311	G303-W307 VanDerWaalsContact O-CB 3.25Å; G303-W307 WeakPolarHBondContact O-CB 3.15Å; G303-W307 PolarHBondContact O-N 2.9Å; C304-W307 PolarHBondContact O-N 2.97Å; W307-W309 VanDerWaalsContact C-N 3.31Å; W307-W309 PolarHBondContact O-N 3.42Å; W307-L310 PolarHBondContact O-N 3.43Å; W307-S311 PolarHBondContact NE1-OG 2.96Å; W307-S311 WeakPolarHBondContact O-CB 3.39Å; W307-S311 PolarHBondContact O-N 3.22Å; W307-S311 PolarHBondContact O-OG 3.35Å
308	I	78.8	Confident	71.9	Confident	92 Å²	92	117.4 Å²	117.4	47%	0.472	57%	0.567	S	S	.	*	H	α-helix	trans	-60.5	-42.7	174.2	-70.7	165.7	0	0	0	110.5	C304 V305 S311 R312	C304-I308 WeakPolarHBondContact O-CB 3.4Å; C304-I308 WeakPolarHBondContact O-CD1 3.24Å; C304-I308 WeakPolarHBondContact O-CG1 3.47Å; C304-I308 PolarHBondContact O-N 3.2Å; V305-I308 PolarHBondContact O-N 2.94Å; I308-S311 PolarHBondContact O-N 2.94Å; I308-R312 WeakPolarHBondContact O-CB 3.35Å; I308-R312 VanDerWaalsContact O-CG 3.25Å; I308-R312 WeakPolarHBondContact O-CG 3.42Å; I308-R312 PolarHBondContact O-N 3.45Å
309	W	78.8	Confident	69.1	Low	134 Å²	134	116.5 Å²	116.5	51%	0.508	57%	0.574	S	S	.	*	H	α-helix	trans	-68.2	-41	179.9	-169.5	84.5	0	0	0	113	V305 I306 W307 R312 R313	V305-W309 WeakPolarHBondContact O-CB 3.47Å; V305-W309 PolarHBondContact O-N 3.46Å; I306-W309 PolarHBondContact O-N 3.27Å; W307-W309 VanDerWaalsContact C-N 3.31Å; W307-W309 PolarHBondContact O-N 3.42Å; W309-R312 PolarHBondContact O-N 3.36Å; W309-R313 VanDerWaalsContact CH2-NE 3.32Å; W309-R313 VanDerWaalsContact CH2-NH2 3.25Å; W309-R313 VanDerWaalsContact CZ2-NH2 3.3Å; W309-R313 PolarHBondContact O-N 3.41Å
310	L	76.1	Confident	66.4	Low	90 Å²	90	120.3 Å²	120.3	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-68.7	-38.1	174.9	-72.1	174.8	0	0	0	112.2	I306 W307 R312 R313 K314	I306-L310 HydrophobicContact CG2-CD1 3.79Å; I306-L310 HydrophobicContact CG2-CG 4.21Å; I306-L310 WeakPolarHBondContact O-CB 3.47Å; I306-L310 WeakPolarHBondContact O-CG 3.26Å; I306-L310 PolarHBondContact O-N 3.37Å; W307-L310 PolarHBondContact O-N 3.43Å; L310-R312 VanDerWaalsContact C-N 3.31Å; L310-R312 PolarHBondContact O-N 3.42Å; L310-R313 PolarHBondContact O-N 2.86Å; L310-K314 PolarHBondContact O-N 2.94Å
311	S	67.3	Low	63.6	Low	54 Å²	54	121.7 Å²	121.7	38%	0.378	59%	0.594	S	S	.	*	H	α-helix	trans	-64.7	-38.4	174.9	-57.3	0	0	0	0	111.1	W307 I308 K315	W307-S311 PolarHBondContact NE1-OG 2.96Å; W307-S311 WeakPolarHBondContact O-CB 3.39Å; W307-S311 PolarHBondContact O-N 3.22Å; W307-S311 PolarHBondContact O-OG 3.35Å; I308-S311 PolarHBondContact O-N 2.94Å; S311-K315 PolarHBondContact O-N 3.36Å; S311-K315 VanDerWaalsContact O-N 3.13Å
312	R	61.8	Low	61.2	Low	178 Å²	178	125.4 Å²	125.4	67%	0.672	62%	0.616	S	S	*	*	H	α-helix	trans	-68.6	-35.7	172.6	-74	177.3	178.5	-174.6	1.4	112.5	I308 W309 L310 K315 N316	I308-R312 WeakPolarHBondContact O-CB 3.35Å; I308-R312 VanDerWaalsContact O-CG 3.25Å; I308-R312 WeakPolarHBondContact O-CG 3.42Å; I308-R312 PolarHBondContact O-N 3.45Å; W309-R312 PolarHBondContact O-N 3.36Å; L310-R312 VanDerWaalsContact C-N 3.31Å; L310-R312 PolarHBondContact O-N 3.42Å; R312-K315 PolarHBondContact O-N 3.46Å; R312-N316 PolarHBondContact O-N 3Å
313	R	57.3	Low	58.7	Low	146 Å²	146	127.7 Å²	127.7	55%	0.551	63%	0.63	S	S	*	*	H	α-helix	trans	-70.7	-31.7	174.5	-93	-173.6	174.3	-170.7	0.6	114.1	W309 L310	W309-R313 VanDerWaalsContact CH2-NE 3.32Å; W309-R313 VanDerWaalsContact CH2-NH2 3.25Å; W309-R313 VanDerWaalsContact CZ2-NH2 3.3Å; W309-R313 PolarHBondContact O-N 3.41Å; L310-R313 PolarHBondContact O-N 2.86Å
314	K	52	Low	56.6	Low	178 Å²	178	133.7 Å²	133.7	77%	0.774	65%	0.653	S	S	*	*	H	α-helix	trans	-74.6	-32.6	173	-84.3	-173.9	176	-178.8	0	112.5	L310 N316 R317	L310-K314 PolarHBondContact O-N 2.94Å; K314-N316 VanDerWaalsContact C-N 3.29Å; K314-N316 PolarHBondContact O-N 3.05Å; K314-R317 PolarHBondContact O-N 3.13Å
315	K	46.6	Very low	54.6	Low	177 Å²	177	134.8 Å²	134.8	77%	0.77	66%	0.658	S	S	*	*	H	α-helix	trans	-69.8	-19.6	176.2	-112.4	178.4	176.3	-179.8	0	114.5	S311 R312	S311-K315 PolarHBondContact O-N 3.36Å; S311-K315 VanDerWaalsContact O-N 3.13Å; R312-K315 PolarHBondContact O-N 3.46Å
316	N	41.1	Very low	52.6	Low	141 Å²	141	138.3 Å²	138.3	75%	0.754	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	6.9	177.9	-75.6	1.5	0	0	0	114.8	R312 K314	R312-N316 PolarHBondContact O-N 3Å; K314-N316 VanDerWaalsContact C-N 3.29Å; K314-N316 PolarHBondContact O-N 3.05Å
317	R	36.9	Very low	50.6	Low	218 Å²	218	136.8 Å²	136.8	82%	0.823	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	9.1	-179.6	-107.1	-169.5	-76	-166.9	-2.7	116.2	K314	K314-R317 PolarHBondContact O-N 3.13Å
318	V	34.5	Very low	49.2	Very low	116 Å²	116	131 Å²	131	70%	0.703	65%	0.653	S	S	*	*			trans	-139.9	89.1	172.3	-173.8	0	0	0	0	108.5
319	I	31.4	Very low	48.4	Very low	152 Å²	152	132.8 Å²	132.8	78%	0.779	65%	0.654	S	S	*	*			trans	-95.4	97.6	162.6	-63.3	170.4	0	0	0	105.3
320	H	34.2	Very low	47.4	Very low	168 Å²	168	128 Å²	128	78%	0.778	64%	0.642	S	S	*	*			trans	-143.8	99.7	157.1	-93.1	-71.6	0	0	0	108.6
321	T	30.4	Very low	46.5	Very low	116 Å²	116	132.4 Å²	132.4	71%	0.712	66%	0.659	S	S	*	*			trans	7.1	123.8	149.3	48.2	0	0	0	0	118.3
322	T	38.8	Very low	46.3	Very low	125 Å²	125	138.7 Å²	138.7	77%	0.767	68%	0.683	S	S	*	*				-173.5	110.3	126.8	20.3	0	0	0	0	111.6
323	T	36.8	Very low	46.5	Very low	121 Å²	121	133.9 Å²	133.9	74%	0.742	67%	0.673	S	S	*	*			trans	48.6	84.8	149.6	57.5	0	0	0	0	120
324	D	43.6	Very low	46.6	Very low	161 Å²	161	132.5 Å²	132.5	86%	0.861	68%	0.677	S	S	*	*			trans	-96.8	115.4	167.1	-76.2	-33.7	0	0	0	111.8
325	V	45.9	Very low	46.8	Very low	83 Å²	83	131 Å²	131	50%	0.503	67%	0.67	S	S	.	*			trans	-70.5	129.2	161.6	178.6	0	0	0	0	107.8	Q338	V325-Q338 HydrophobicContact CG1-CB 4.39Å; V325-Q338 HydrophobicContact CG1-CG 3.91Å
326	K	44.9	Very low	47.1	Very low	172 Å²	172	130.1 Å²	130.1	75%	0.748	66%	0.663	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94	114.7	174.6	-76.4	179.1	179.5	171	0	109.7	S339	K326-S339 PolarHBondContact O-N 3.15Å
327	C	43.6	Very low	47.7	Very low	66 Å²	66	128 Å²	128	45%	0.446	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.7	138.4	166.1	-58.1	0	0	0	0	109.7	Y336 I337 Q338	C327-Y336 HydrophobicContact CB-CD1 3.76Å; C327-Y336 HydrophobicContact CB-CG 4.44Å; C327-I337 WeakPolarHBondContact CA-O 3.35Å; C327-Q338 VanDerWaalsContact SG-CG 3.6Å
328	A	53.3	Low	48.4	Very low	62 Å²	62	123.6 Å²	123.6	51%	0.512	64%	0.64	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	145.4	168.7	0	0	0	0	0	109.6	I337	A328-I337 PolarHBondContact N-O 2.88Å; A328-I337 PolarHBondContact O-N 2.81Å
329	W	61.5	Low	49.1	Very low	130 Å²	130	121.8 Å²	121.8	49%	0.492	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.2	135.5	176.3	-177.5	-99	0	0	0	110	D334 Y336	W329-D334 WeakPolarHBondContact CH2-OD1 3.04Å; W329-D334 WeakPolarHBondContact CZ2-OD1 3.41Å; W329-Y336 HydrophobicContact CB-CE1 4.31Å; W329-Y336 HydrophobicContact CE3-CD1 4.23Å; W329-Y336 AromaticContact CE3-CD2 3.57Å; W329-Y336 HydrophobicContact CE3-CD2 3.57Å; W329-Y336 HydrophobicContact CE3-CE1 4.01Å; W329-Y336 AromaticContact CE3-CE2 3.29Å; W329-Y336 HydrophobicContact CE3-CE2 3.29Å; W329-Y336 HydrophobicContact CE3-CG 4.03Å; W329-Y336 AromaticContact CE3-CZ 3.53Å; W329-Y336 AromaticContact CZ3-CD2 3.64Å; W329-Y336 HydrophobicContact CZ3-CD2 3.64Å; W329-Y336 AromaticContact CZ3-CE2 3.38Å; W329-Y336 HydrophobicContact CZ3-CE2 3.38Å; W329-Y336 HydrophobicContact CZ3-CG 4.49Å
330	C	58.3	Low	49.4	Very low	35 Å²	35	120.7 Å²	120.7	24%	0.236	63%	0.628	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	111	175.3	-179.7	0	0	0	0	109.5	E332 T333 D334 K335 I337	C330-E332 PolarHBondContact O-N 2.94Å; C330-T333 WeakPolarHBondContact CB-OG1 3.29Å; C330-T333 PolarHBondContact O-N 2.83Å; C330-T333 PolarHBondContact SG-OG1 3.46Å; C330-T333 VanDerWaalsContact SG-OG1 3.37Å; C330-D334 PolarHBondContact O-N 3.22Å; C330-D334 VanDerWaalsContact O-N 3.13Å; C330-K335 PolarHBondContact N-O 2.92Å; C330-I337 HydrophobicContact CB-CD1 3.91Å; C330-I337 HydrophobicContact CB-CG1 4.42Å
331	E	55.9	Low	49.8	Very low	181 Å²	181	119.2 Å²	119.2	85%	0.846	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-25.9	-179.1	-75.3	-176	162	0	0	113.4
332	E	63.7	Low	50	Low	187 Å²	187	122.5 Å²	122.5	87%	0.874	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-23.6	-176.2	-159.6	170.5	-161.9	0	0	113.1	C330	C330-E332 PolarHBondContact O-N 2.94Å
333	T	66	Low	50	Low	76 Å²	76	124 Å²	124	47%	0.466	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.3	-3	-176.7	58.5	0	0	0	0	114.4	C330 K335	C330-T333 WeakPolarHBondContact CB-OG1 3.29Å; C330-T333 PolarHBondContact O-N 2.83Å; C330-T333 PolarHBondContact SG-OG1 3.46Å; C330-T333 VanDerWaalsContact SG-OG1 3.37Å; T333-K335 WeakPolarHBondContact O-CG 3.12Å; T333-K335 PolarHBondContact O-N 2.85Å
334	D	60.3	Low	49.8	Very low	118 Å²	118	123.5 Å²	123.5	63%	0.631	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.4	37.7	-177.7	-153	25.5	0	0	0	113.1	W329 C330	W329-D334 WeakPolarHBondContact CH2-OD1 3.04Å; W329-D334 WeakPolarHBondContact CZ2-OD1 3.41Å; C330-D334 PolarHBondContact O-N 3.22Å; C330-D334 VanDerWaalsContact O-N 3.13Å
335	K	56.1	Low	49.5	Very low	146 Å²	146	121.1 Å²	121.1	64%	0.635	63%	0.628	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-138.2	149.5	-177.4	-72.9	178.2	-175.2	178	0	112.1	C330 T333	C330-K335 PolarHBondContact N-O 2.92Å; T333-K335 WeakPolarHBondContact O-CG 3.12Å; T333-K335 PolarHBondContact O-N 2.85Å
336	Y	52	Low	48.8	Very low	158 Å²	158	125.7 Å²	125.7	62%	0.62	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.7	127.6	167.7	-82.7	-81.9	0	0	0	110.3	C327 W329	C327-Y336 HydrophobicContact CB-CD1 3.76Å; C327-Y336 HydrophobicContact CB-CG 4.44Å; W329-Y336 HydrophobicContact CB-CE1 4.31Å; W329-Y336 HydrophobicContact CE3-CD1 4.23Å; W329-Y336 AromaticContact CE3-CD2 3.57Å; W329-Y336 HydrophobicContact CE3-CD2 3.57Å; W329-Y336 HydrophobicContact CE3-CE1 4.01Å; W329-Y336 AromaticContact CE3-CE2 3.29Å; W329-Y336 HydrophobicContact CE3-CE2 3.29Å; W329-Y336 HydrophobicContact CE3-CG 4.03Å; W329-Y336 AromaticContact CE3-CZ 3.53Å; W329-Y336 AromaticContact CZ3-CD2 3.64Å; W329-Y336 HydrophobicContact CZ3-CD2 3.64Å; W329-Y336 AromaticContact CZ3-CE2 3.38Å; W329-Y336 HydrophobicContact CZ3-CE2 3.38Å; W329-Y336 HydrophobicContact CZ3-CG 4.49Å
337	I	53	Low	48.2	Very low	98 Å²	98	123.5 Å²	123.5	50%	0.503	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.9	126.5	174.6	-54.7	175.9	0	0	0	108.3	C327 A328 C330 S339	C327-I337 WeakPolarHBondContact CA-O 3.35Å; A328-I337 PolarHBondContact N-O 2.88Å; A328-I337 PolarHBondContact O-N 2.81Å; C330-I337 HydrophobicContact CB-CD1 3.91Å; C330-I337 HydrophobicContact CB-CG1 4.42Å; I337-S339 PolarHBondContact O-N 3.01Å
338	Q	52.2	Low	47.6	Very low	124 Å²	124	127.1 Å²	127.1	58%	0.579	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.2	119.9	172.9	-85.8	179.7	-26.1	0	0	109.8	V325 C327 N340	V325-Q338 HydrophobicContact CG1-CB 4.39Å; V325-Q338 HydrophobicContact CG1-CG 3.91Å; C327-Q338 VanDerWaalsContact SG-CG 3.6Å; Q338-N340 PolarHBondContact O-N 3Å
339	S	49.2	Very low	46.7	Very low	79 Å²	79	130.1 Å²	130.1	55%	0.552	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.5	95.5	167.9	175.8	0	0	0	0	108.8	K326 I337 D341	K326-S339 PolarHBondContact O-N 3.15Å; I337-S339 PolarHBondContact O-N 3.01Å; S339-D341 PolarHBondContact O-N 3.36Å
340	N	38.5	Very low	45.6	Very low	129 Å²	129	130.7 Å²	130.7	69%	0.69	68%	0.683	S	S	*	*			trans	-85.1	80.6	164.1	-89.5	-13.4	0	0	0	108.5	Q338	Q338-N340 PolarHBondContact O-N 3Å
341	D	41.1	Very low	44.5	Very low	137 Å²	137	135.8 Å²	135.8	73%	0.733	71%	0.708	S	S	*	*			trans	-147	93.7	158.4	-110.9	-27.5	0	0	0	111.6	S339 N343	S339-D341 PolarHBondContact O-N 3.36Å; D341-N343 VanDerWaalsContact C-N 3.29Å; D341-N343 PolarHBondContact O-N 2.97Å
342	K	36	Very low	43.3	Very low	185 Å²	185	135.3 Å²	135.3	80%	0.804	71%	0.705	S	S	*	*			trans	-75.2	85.8	157.8	-74.1	178.4	178.2	174.4	0	106.5
343	N	37.2	Very low	41.6	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	70%	0.703	S	S	*	*			trans	158.3	76.9	153.5	-80.1	-16.8	0	0	0	111.7	D341	D341-N343 VanDerWaalsContact C-N 3.29Å; D341-N343 PolarHBondContact O-N 2.97Å
344	S	33.3	Very low	40.1	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	72%	0.724	S	S	*	*			trans	-150.2	124.6	154.4	-163.1	0	0	0	0	111.3
345	P	37	Very low	38.9	Very low	111 Å²	111	143.6 Å²	143.6	72%	0.721	73%	0.729	S	S	*	*			trans	-76.2	152	-176.1	32.3	-32.9	0	0	0	111.7	V347	P345-V347 PolarHBondContact O-N 2.95Å
346	E	31.4	Very low	37.7	Very low	180 Å²	180	144 Å²	144	84%	0.841	74%	0.739	S	S	*	*			trans	-10.4	108.5	168.9	-68.5	175.9	139.9	0	0	116.7
347	V	33.6	Very low	37	Very low	126 Å²	126	143.5 Å²	143.5	76%	0.764	75%	0.751	S	S	*	*			trans	-109.5	91.3	155.3	-179.7	0	0	0	0	107.7	P345 V349	P345-V347 PolarHBondContact O-N 2.95Å; V347-V349 HydrophobicContact CG1-CG2 3.71Å; V347-V349 PolarHBondContact O-N 3.01Å
348	N	29.5	Very low	36.1	Very low	141 Å²	141	145.2 Å²	145.2	75%	0.754	76%	0.762	S	S	*	*			trans	-69.3	111.4	157	-88	-34.4	0	0	0	107.5
349	V	35.5	Very low	35.4	Very low	125 Å²	125	147.6 Å²	147.6	76%	0.758	77%	0.772	S	S	*	*			trans	-131.9	108	158.1	179.9	0	0	0	0	108.5	V347	V347-V349 HydrophobicContact CG1-CG2 3.71Å; V347-V349 PolarHBondContact O-N 3.01Å
350	I	38.3	Very low	34.7	Very low	143 Å²	143	151.4 Å²	151.4	73%	0.733	79%	0.785	S	S	*	*			trans	-82.1	146.8	163.7	-60.5	170.2	0	0	0	106.5
351	D	33.8	Very low	34.4	Very low	141 Å²	141	152 Å²	152	75%	0.754	79%	0.789	S	S	*	*			trans	105.1	140.8	149.2	-120.1	-20.6	0	0	0	120.7
352	H	31.7	Very low	34	Very low	172 Å²	172	150.1 Å²	150.1	80%	0.796	78%	0.783	S	S	*	*			trans	-82.7	162.6	-163.7	-78.9	-91.5	0	0	0	114.4
353	R	28.3	Very low	33.8	Very low	219 Å²	219	149.4 Å²	149.4	83%	0.826	78%	0.782	S	S	*	*			trans	94.5	113.3	136.6	-148.7	-176.1	-138.3	-178.1	1.7	116.6
354	I	33.6	Very low	33.5	Very low	176 Å²	176	147.8 Å²	147.8	90%	0.903	78%	0.778	S	S	*	*			trans	-142.7	137.9	136.1	-60.9	-170.7	0	0	0	108.7
355	E	36	Very low	33.5	Very low	159 Å²	159	149.5 Å²	149.5	74%	0.743	78%	0.778	S	S	*	*			trans	-72.9	170.5	-174.3	-65.8	167	149.5	0	0	114.6
356	D	31.1	Very low	33.2	Very low	156 Å²	156	148.3 Å²	148.3	83%	0.834	77%	0.772	S	S	*	*			trans	-28.7	145.7	168.5	-67.4	-48.9	0	0	0	116.2
357	V	37.6	Very low	33.4	Very low	146 Å²	146	149 Å²	149	89%	0.885	77%	0.769	S	S	*	*				-175.2	134.1	127.9	159.9	0	0	0	0	110.3
358	D	34.1	Very low	33.5	Very low	135 Å²	135	150.5 Å²	150.5	72%	0.722	77%	0.767	S	S	*	*			trans	-55.7	165	173.2	-73.9	-56.6	0	0	0	116.3
359	H	37.6	Very low	33.5	Very low	174 Å²	174	150.9 Å²	150.9	81%	0.806	77%	0.769	S	S	*	*			trans	77.7	103	154.3	-73	-55.8	0	0	0	119.8
360	L	33.3	Very low	33.6	Very low	158 Å²	158	153.1 Å²	153.1	83%	0.827	77%	0.771	S	S	*	*				163.5	105.8	112.9	-116.2	70.3	0	0	0	107.7
361	N	32.6	Very low	33.3	Very low	141 Å²	141	152 Å²	152	75%	0.754	77%	0.771	S	S	*	*				66.9	124.6	93.8	-120.5	7	0	0	0	116.7
362	T	32.5	Very low	33.2	Very low	99 Å²	99	149.8 Å²	149.8	61%	0.607	77%	0.767	S	S	*	*			trans	78.5	112.3	146.8	37.1	0	0	0	0	121.8
363	Q	31.8	Very low	33.3	Very low	169 Å²	169	149 Å²	149	79%	0.79	77%	0.768	S	S	*	*				68.1	114.5	128.5	-69.9	171.9	-17	0	0	117.9
364	T	32.1	Very low	33.5	Very low	123 Å²	123	146.8 Å²	146.8	76%	0.755	77%	0.766	S	S	*	*				179.9	145.3	100	16.6	0	0	0	0	114.1
365	L	32.2	Very low	33.5	Very low	145 Å²	145	143.5 Å²	143.5	76%	0.759	76%	0.759	S	S	*	*			trans	70.3	105.8	148.3	-64.6	150.1	0	0	0	117.3
366	S	30.4	Very low	33.4	Very low	87 Å²	87	142.3 Å²	142.3	61%	0.608	76%	0.763	S	S	*	*				69.4	140.4	54.3	86.6	0	0	0	0	115.9
367	Y	36.5	Very low	33.4	Very low	195 Å²	195	142.8 Å²	142.8	77%	0.765	76%	0.76	S	S	*	*			trans	90.1	132.9	176.9	-60.2	-79.5	0	0	0	115.2
368	H	35.3	Very low	33.3	Very low	157 Å²	157	142.5 Å²	142.5	73%	0.727	76%	0.759	S	S	*	*			cis	-162.4	144.3	17.1	-133	-61	0	0	0	110
369	N	30.2	Very low	33.3	Very low	149 Å²	149	143.6 Å²	143.6	80%	0.797	76%	0.759	S	S	*	*			trans	-98.1	163.4	163	-117.9	-8.6	0	0	0	109.5
370	Q	35.9	Very low	33.6	Very low	171 Å²	171	142.7 Å²	142.7	80%	0.799	76%	0.759	S	S	*	*			trans	103.2	133.7	-178.8	-68.4	170.5	-51.7	0	0	112.9
371	T	33.5	Very low	33.7	Very low	120 Å²	120	142.7 Å²	142.7	74%	0.736	75%	0.754	S	S	*	*			cis	-174.5	133.5	48.9	-16	0	0	0	0	109.1
372	S	31.9	Very low	34.2	Very low	95 Å²	95	143.2 Å²	143.2	66%	0.664	76%	0.757	S	S	*	*				75.7	149.6	115.1	66.1	0	0	0	0	121.6
373	L	33.5	Very low	34.8	Very low	156 Å²	156	143.9 Å²	143.9	82%	0.817	76%	0.761	S	S	*	*			trans	104.4	121.4	163.7	-66.5	143.4	0	0	0	114.6
374	E	31.2	Very low	35.5	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	77%	0.765	S	S	*	*			cis	132.1	146.8	3.6	-175.5	170.7	-146.2	0	0	108.8
375	S	33.5	Very low	35.8	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	77%	0.766	S	S	*	*			trans	79.5	134.4	176.9	73.5	0	0	0	0	116.8
376	T	34	Very low	36.5	Very low	134 Å²	134	144.8 Å²	144.8	82%	0.822	77%	0.769	S	S	*	*			cis	-161.5	150.2	39.3	-22.8	0	0	0	0	111.9
377	E	32.3	Very low	37	Very low	167 Å²	167	148.4 Å²	148.4	78%	0.78	78%	0.781	S	S	*	*			trans	-61.6	153.5	178.7	-73.7	157.9	135.1	0	0	116.5
378	V	35.6	Very low	37.8	Very low	140 Å²	140	151.9 Å²	151.9	85%	0.848	81%	0.805	S	S	*	*			trans	-142.2	115.9	141.4	179.8	0	0	0	0	108.3	I380	V378-I380 HydrophobicContact CG1-CG1 4.48Å
379	E	33.4	Very low	37.9	Very low	158 Å²	158	151.7 Å²	151.7	74%	0.738	81%	0.809	S	S	*	*			trans	-105.1	134.6	175	-163.7	174.4	-139.1	0	0	108.4
380	I	43.9	Very low	38.3	Very low	155 Å²	155	151.8 Å²	151.8	80%	0.795	81%	0.809	S	S	*	*			trans	-136.6	107	165.8	-61	-179.6	0	0	0	107	V378	V378-I380 HydrophobicContact CG1-CG1 4.48Å
381	E	34.5	Very low	38.4	Very low	157 Å²	157	150.7 Å²	150.7	73%	0.734	81%	0.81	S	S	*	*			trans	-82.7	141.2	162.5	-74.6	-175.7	137.2	0	0	110.4
382	D	44.2	Very low	38.7	Very low	153 Å²	153	152.5 Å²	152.5	82%	0.818	81%	0.814	S	S	*	*			trans	-159.4	97.1	147	-100.5	-25.5	0	0	0	105.5
383	V	45	Very low	39.1	Very low	113 Å²	113	156.1 Å²	156.1	69%	0.685	82%	0.824	S	S	*	*				65.8	99.8	87	-178.8	0	0	0	0	113
384	M	45.4	Very low	39.5	Very low	176 Å²	176	156.1 Å²	156.1	87%	0.867	82%	0.824	S	S	*	*				171.2	127.4	109.9	-84.9	-152.6	-63.1	0	0	112.4
385	D	40.2	Very low	40.1	Very low	145 Å²	145	155.1 Å²	155.1	78%	0.775	83%	0.826	S	S	*	*			trans	-52.3	149.1	159.6	-72.4	-54.5	0	0	0	112.7
386	T	45.5	Very low	40.6	Very low	134 Å²	134	158.8 Å²	158.8	82%	0.822	83%	0.832	S	S	*	*				171.6	142	98.3	29.8	0	0	0	0	111.7
387	N	41.7	Very low	41.2	Very low	163 Å²	163	160.8 Å²	160.8	87%	0.872	83%	0.833	S	S	*	*			trans	-41.6	133.9	172	-54.7	-46.3	0	0	0	114.6
388	E	52.2	Low	42	Very low	269 Å²	269	160.3 Å²	160.3	100%	1.257	84%	0.837	S	S	*	*				-179.4	0	104.7	-152.2	168.1	-158.7	0	0	110.1

Retrieved 388 of 388 residues in 326.3 ms (Link to these results)

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