A0AA82N8J9_SCHMA Loading...

Egg protein CP391S-like AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8J9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 403 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	40.5	Very low	58.5	Low	216 Å²	216	135.4 Å²	135.4	100%	1.064	65%	0.652	S	S	*	*				0	116.8	0	-83.3	170.6	167.8	0	0	108	Y3	M1-Y3 PolarHBondContact O-N 3.43Å
2	R	47.7	Very low	59.5	Low	239 Å²	239	132.3 Å²	132.3	90%	0.902	64%	0.64	S	S	*	*			trans	-74	104	165.6	-70.1	-179.4	178.1	177.7	-1	105.8	N4	R2-N4 VanDerWaalsContact C-N 3.3Å; R2-N4 PolarHBondContact O-N 3.29Å
3	Y	54.6	Low	60.3	Low	182 Å²	182	127.5 Å²	127.5	71%	0.714	62%	0.619	S	S	*	*			trans	-72.6	95.3	170.2	-104.9	-88.8	0	0	0	106.7	M1 F5	M1-Y3 PolarHBondContact O-N 3.43Å; Y3-F5 PolarHBondContact O-N 3.45Å; Y3-F5 VanDerWaalsContact O-N 3.1Å
4	N	52.3	Low	60.8	Low	142 Å²	142	128.8 Å²	128.8	76%	0.759	62%	0.615	S	S	*	*			trans	-68.5	102.5	163.5	-71.1	-19.9	0	0	0	105.7	R2 S6	R2-N4 VanDerWaalsContact C-N 3.3Å; R2-N4 PolarHBondContact O-N 3.29Å; N4-S6 PolarHBondContact O-N 2.76Å
5	F	53.8	Low	61	Low	127 Å²	127	126.4 Å²	126.4	56%	0.557	61%	0.607	S	S	*	*			trans	-53.8	125	164.2	-81.6	-85.7	0	0	0	107.5	Y3 L9	Y3-F5 PolarHBondContact O-N 3.45Å; Y3-F5 VanDerWaalsContact O-N 3.1Å; F5-L9 HydrophobicContact CD1-CD2 3.67Å; F5-L9 HydrophobicContact CE1-CD2 4.03Å
6	S	63.3	Low	61.6	Low	63 Å²	63	125.1 Å²	125.1	44%	0.441	60%	0.603	S	S	.	*			trans	-52.2	134	176.3	172.1	0	0	0	0	109	N4 S8 L9	N4-S6 PolarHBondContact O-N 2.76Å; S6-S8 PolarHBondContact O-N 2.69Å; S6-S8 PolarHBondContact OG-N 2.9Å; S6-S8 PolarHBondContact OG-OG 3.16Å; S6-L9 WeakPolarHBondContact O-CB 3.11Å; S6-L9 PolarHBondContact O-N 3.44Å
7	P	66.1	Low	61.4	Low	104 Å²	104	126.6 Å²	126.6	68%	0.675	61%	0.606	S	S	*	*	H	α-helix	trans	-50	-30.6	176.1	-27.2	33.7	0	0	0	113.3	L9 W10 M11	P7-L9 VanDerWaalsContact C-N 3.29Å; P7-L9 PolarHBondContact O-N 3.18Å; P7-W10 PolarHBondContact O-N 2.88Å; P7-M11 WeakPolarHBondContact O-CG 3.43Å; P7-M11 PolarHBondContact O-N 2.93Å; P7-M11 VanDerWaalsContact O-N 3.09Å
8	S	69	Low	61.2	Low	70 Å²	70	122.8 Å²	122.8	49%	0.49	59%	0.592	S	S	.	*	H	α-helix	trans	-61.7	-32.5	176.8	65.7	0	0	0	0	114	S6 M11 L12	S6-S8 PolarHBondContact O-N 2.69Å; S6-S8 PolarHBondContact OG-N 2.9Å; S6-S8 PolarHBondContact OG-OG 3.16Å; S8-M11 PolarHBondContact O-N 3.46Å; S8-L12 PolarHBondContact O-N 2.9Å; S8-L12 VanDerWaalsContact O-N 3.11Å
9	L	62.1	Low	60.7	Low	80 Å²	80	125.5 Å²	125.5	42%	0.419	60%	0.595	S	S	.	*	H	α-helix	trans	-73.3	-37	179.8	-146.6	88.2	0	0	0	111.1	F5 S6 P7 L12 I13	F5-L9 HydrophobicContact CD1-CD2 3.67Å; F5-L9 HydrophobicContact CE1-CD2 4.03Å; S6-L9 WeakPolarHBondContact O-CB 3.11Å; S6-L9 PolarHBondContact O-N 3.44Å; P7-L9 VanDerWaalsContact C-N 3.29Å; P7-L9 PolarHBondContact O-N 3.18Å; L9-L12 PolarHBondContact O-N 3.07Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 2.75Å
10	W	65.5	Low	60.3	Low	141 Å²	141	121.8 Å²	121.8	53%	0.534	58%	0.582	S	S	.	*	H	α-helix	trans	-65.8	-40.3	173.3	-78	94.9	0	0	0	111.7	P7 L12 I13 Y14	P7-W10 PolarHBondContact O-N 2.88Å; W10-L12 PolarHBondContact O-N 2.89Å; W10-I13 PolarHBondContact O-N 3.38Å; W10-Y14 HydrophobicContact CE3-CD2 4.48Å; W10-Y14 HydrophobicContact CE3-CE2 4.2Å; W10-Y14 WeakPolarHBondContact O-CB 3.46Å; W10-Y14 WeakPolarHBondContact O-CD2 3.34Å; W10-Y14 PolarHBondContact O-N 3.26Å
11	M	69.3	Low	59.9	Low	125 Å²	125	122.5 Å²	122.5	62%	0.616	58%	0.58	S	S	*	*	H	α-helix	trans	-62.3	-41.3	175.2	-67.5	-61	-73.3	0	0	112.2	P7 S8 Y14 L15	P7-M11 WeakPolarHBondContact O-CG 3.43Å; P7-M11 PolarHBondContact O-N 2.93Å; P7-M11 VanDerWaalsContact O-N 3.09Å; S8-M11 PolarHBondContact O-N 3.46Å; M11-Y14 PolarHBondContact O-N 2.93Å; M11-L15 WeakPolarHBondContact O-CB 3.49Å; M11-L15 VanDerWaalsContact O-CG 3.27Å; M11-L15 WeakPolarHBondContact O-CG 3.42Å; M11-L15 PolarHBondContact O-N 3.14Å
12	L	69.8	Low	60.4	Low	98 Å²	98	119.2 Å²	119.2	51%	0.513	56%	0.56	S	S	.	*	H	α-helix	trans	-64	-45.3	175.3	-94.6	156.3	0	0	0	112.2	S8 L9 W10 L15 I16	S8-L12 PolarHBondContact O-N 2.9Å; S8-L12 VanDerWaalsContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 3.07Å; W10-L12 PolarHBondContact O-N 2.89Å; L12-L15 PolarHBondContact O-N 3.11Å; L12-I16 WeakPolarHBondContact O-CB 3.26Å; L12-I16 WeakPolarHBondContact O-CD1 3.4Å; L12-I16 WeakPolarHBondContact O-CG1 3.27Å; L12-I16 PolarHBondContact O-N 3.31Å
13	I	70.2	Confident	60.6	Low	70 Å²	70	114.6 Å²	114.6	36%	0.359	55%	0.552	S	S	.	*	H	α-helix	trans	-60.1	-50	175.5	-71.6	168.5	0	0	0	109.7	L9 W10 L15 I16 F17	L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 2.75Å; W10-I13 PolarHBondContact O-N 3.38Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.02Å; I13-I16 PolarHBondContact O-N 3.46Å; I13-I16 VanDerWaalsContact O-N 3.17Å; I13-F17 HydrophobicContact CG2-CD2 3.63Å; I13-F17 HydrophobicContact CG2-CE2 3.78Å; I13-F17 WeakPolarHBondContact O-CD2 3.48Å; I13-F17 PolarHBondContact O-N 3.01Å
14	Y	67	Low	60.3	Low	146 Å²	146	113.8 Å²	113.8	57%	0.573	55%	0.553	S	S	*	*	H	α-helix	trans	-58.6	-42.8	176.5	-97.8	-89	0	0	0	112.3	W10 M11 I16 F17 V18	W10-Y14 HydrophobicContact CE3-CD2 4.48Å; W10-Y14 HydrophobicContact CE3-CE2 4.2Å; W10-Y14 WeakPolarHBondContact O-CB 3.46Å; W10-Y14 WeakPolarHBondContact O-CD2 3.34Å; W10-Y14 PolarHBondContact O-N 3.26Å; M11-Y14 PolarHBondContact O-N 2.93Å; Y14-I16 PolarHBondContact O-N 3.21Å; Y14-F17 PolarHBondContact O-N 3.49Å; Y14-V18 HydrophobicContact CD1-CG2 3.69Å; Y14-V18 HydrophobicContact CE1-CG2 4.36Å; Y14-V18 WeakPolarHBondContact O-CA 3.4Å; Y14-V18 WeakPolarHBondContact O-CB 3.3Å; Y14-V18 VanDerWaalsContact O-CG2 3.27Å; Y14-V18 WeakPolarHBondContact O-CG2 3.32Å; Y14-V18 PolarHBondContact O-N 3.42Å
15	L	64.4	Low	60.1	Low	93 Å²	93	110 Å²	110	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-63.4	-41.4	176.1	-76.3	165.2	0	0	0	111.9	M11 L12 I13 W19	M11-L15 WeakPolarHBondContact O-CB 3.49Å; M11-L15 VanDerWaalsContact O-CG 3.27Å; M11-L15 WeakPolarHBondContact O-CG 3.42Å; M11-L15 PolarHBondContact O-N 3.14Å; L12-L15 PolarHBondContact O-N 3.11Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.02Å; L15-W19 HydrophobicContact CD2-CE3 4.18Å; L15-W19 WeakPolarHBondContact O-CB 3.44Å; L15-W19 PolarHBondContact O-N 3.09Å; L15-W19 VanDerWaalsContact O-N 3.15Å
16	I	69.5	Low	60.4	Low	106 Å²	106	107.5 Å²	107.5	54%	0.544	53%	0.53	S	S	.	.	H	α-helix	trans	-67.6	-34.6	179	-68.2	164.2	0	0	0	111.8	L12 I13 Y14 P20	L12-I16 WeakPolarHBondContact O-CB 3.26Å; L12-I16 WeakPolarHBondContact O-CD1 3.4Å; L12-I16 WeakPolarHBondContact O-CG1 3.27Å; L12-I16 PolarHBondContact O-N 3.31Å; I13-I16 PolarHBondContact O-N 3.46Å; I13-I16 VanDerWaalsContact O-N 3.17Å; Y14-I16 PolarHBondContact O-N 3.21Å; I16-P20 WeakPolarHBondContact O-CD 3.5Å; I16-P20 WeakPolarHBondContact O-CG 3.36Å
17	F	58.9	Low	60.6	Low	151 Å²	151	106.7 Å²	106.7	66%	0.662	52%	0.521	S	S	*	.	H	α-helix	trans	-91.5	-40.1	-178.8	-73.5	-72.8	0	0	0	113.6	I13 Y14 Y21	I13-F17 HydrophobicContact CG2-CD2 3.63Å; I13-F17 HydrophobicContact CG2-CE2 3.78Å; I13-F17 WeakPolarHBondContact O-CD2 3.48Å; I13-F17 PolarHBondContact O-N 3.01Å; Y14-F17 PolarHBondContact O-N 3.49Å; F17-Y21 VanDerWaalsContact O-CB 3.26Å; F17-Y21 WeakPolarHBondContact O-CB 2.97Å; F17-Y21 PolarHBondContact O-N 3.1Å
18	V	58.1	Low	60.8	Low	57 Å²	57	106.4 Å²	106.4	35%	0.345	51%	0.514	S	S	.	.	H	α-helix	trans	-80.9	-35.1	-175.8	178.8	0	0	0	0	112.1	Y14 Y21 K22	Y14-V18 HydrophobicContact CD1-CG2 3.69Å; Y14-V18 HydrophobicContact CE1-CG2 4.36Å; Y14-V18 WeakPolarHBondContact O-CA 3.4Å; Y14-V18 WeakPolarHBondContact O-CB 3.3Å; Y14-V18 VanDerWaalsContact O-CG2 3.27Å; Y14-V18 WeakPolarHBondContact O-CG2 3.32Å; Y14-V18 PolarHBondContact O-N 3.42Å; V18-Y21 PolarHBondContact O-N 3.29Å; V18-K22 HydrophobicContact CG1-CD 4.4Å; V18-K22 HydrophobicContact CG1-CG 4.3Å; V18-K22 PolarHBondContact O-N 3.34Å
19	W	52.2	Low	61.1	Low	174 Å²	174	103.8 Å²	103.8	66%	0.659	49%	0.494	S	S	*	.	H	α-helix	trans	-64.7	-49	-178.3	-168.5	-57.8	0	0	0	112.3	L15 Y21 K22 L23	L15-W19 HydrophobicContact CD2-CE3 4.18Å; L15-W19 WeakPolarHBondContact O-CB 3.44Å; L15-W19 PolarHBondContact O-N 3.09Å; L15-W19 VanDerWaalsContact O-N 3.15Å; W19-Y21 VanDerWaalsContact C-N 3.31Å; W19-Y21 PolarHBondContact O-N 3.11Å; W19-K22 PolarHBondContact O-N 2.91Å; W19-L23 PolarHBondContact O-N 3.19Å; W19-L23 VanDerWaalsContact O-N 3.13Å
20	P	51.3	Low	61.9	Low	52 Å²	52	101.8 Å²	101.8	34%	0.338	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-41.6	174.4	-18	32	0	0	0	110.6	I16 K22 L23 F24	I16-P20 WeakPolarHBondContact O-CD 3.5Å; I16-P20 WeakPolarHBondContact O-CG 3.36Å; P20-K22 PolarHBondContact O-N 3.27Å; P20-L23 CarbonylContact O-C 3.57Å; P20-L23 WeakPolarHBondContact O-CA 3.03Å; P20-L23 WeakPolarHBondContact O-CB 2.96Å; P20-L23 PolarHBondContact O-N 3.05Å; P20-F24 HydrophobicContact CB-CD2 4.15Å; P20-F24 HydrophobicContact CB-CE2 4.13Å; P20-F24 WeakPolarHBondContact O-CD2 3.47Å; P20-F24 PolarHBondContact O-N 3.48Å
21	Y	53.1	Low	62.5	Low	137 Å²	137	100.9 Å²	100.9	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-58.9	-43.8	-179	-174.1	-101.4	0	0	0	112.7	F17 V18 W19 L23 F24 N25 E195	F17-Y21 VanDerWaalsContact O-CB 3.26Å; F17-Y21 WeakPolarHBondContact O-CB 2.97Å; F17-Y21 PolarHBondContact O-N 3.1Å; V18-Y21 PolarHBondContact O-N 3.29Å; W19-Y21 VanDerWaalsContact C-N 3.31Å; W19-Y21 PolarHBondContact O-N 3.11Å; Y21-L23 VanDerWaalsContact C-N 3.35Å; Y21-L23 PolarHBondContact O-N 2.96Å; Y21-F24 PolarHBondContact O-N 3.26Å; Y21-N25 PolarHBondContact O-N 3.02Å; Y21-E195 PolarHBondContact OH-OE1 2.86Å
22	K	50.2	Low	62.7	Low	146 Å²	146	98 Å²	98	64%	0.635	48%	0.479	S	S	*	.	H	α-helix	trans	-64.7	-36.8	172.7	-83	-168.8	173.1	-171.3	0	113	V18 W19 P20 F24	V18-K22 HydrophobicContact CG1-CD 4.4Å; V18-K22 HydrophobicContact CG1-CG 4.3Å; V18-K22 PolarHBondContact O-N 3.34Å; W19-K22 PolarHBondContact O-N 2.91Å; P20-K22 PolarHBondContact O-N 3.27Å; K22-F24 VanDerWaalsContact C-N 3.34Å
23	L	51.7	Low	62.7	Low	142 Å²	142	97.6 Å²	97.6	74%	0.743	48%	0.482	S	S	*	.	H	α-helix	trans	-71.1	-30.5	179.2	-154.6	81.9	0	0	0	112.2	W19 P20 Y21	W19-L23 PolarHBondContact O-N 3.19Å; W19-L23 VanDerWaalsContact O-N 3.13Å; P20-L23 CarbonylContact O-C 3.57Å; P20-L23 WeakPolarHBondContact O-CA 3.03Å; P20-L23 WeakPolarHBondContact O-CB 2.96Å; P20-L23 PolarHBondContact O-N 3.05Å; Y21-L23 VanDerWaalsContact C-N 3.35Å; Y21-L23 PolarHBondContact O-N 2.96Å
24	F	48	Very low	62.6	Low	165 Å²	165	100.1 Å²	100.1	72%	0.724	50%	0.497	S	S	*	.	H	α-helix	trans	-76.9	-28.3	-178.2	-86.2	-71	0	0	0	113.7	P20 Y21 K22	P20-F24 HydrophobicContact CB-CD2 4.15Å; P20-F24 HydrophobicContact CB-CE2 4.13Å; P20-F24 WeakPolarHBondContact O-CD2 3.47Å; P20-F24 PolarHBondContact O-N 3.48Å; Y21-F24 PolarHBondContact O-N 3.26Å; K22-F24 VanDerWaalsContact C-N 3.34Å
25	N	48	Very low	62.5	Low	63 Å²	63	95.3 Å²	95.3	34%	0.337	48%	0.481	S	S	.	.	H	α-helix	trans	-122.1	-2.1	-164.1	-85.5	6	0	0	0	118.3	Y21 N27	Y21-N25 PolarHBondContact O-N 3.02Å; N25-N27 PolarHBondContact O-N 2.89Å
26	C	60.3	Low	62.4	Low	74 Å²	74	91.6 Å²	91.6	50%	0.5	47%	0.465	S	S	.	.			trans	-104.4	75	-178.4	-62.8	0	0	0	0	112.1	D28	C26-D28 PolarHBondContact O-N 3.19Å
27	N	67.6	Low	62.3	Low	46 Å²	46	95 Å²	95	25%	0.246	48%	0.478	C	S	.	.			trans	-68.1	123.8	150	-83.6	-44.9	0	0	0	106.9	N25 I29 C30 K55 I192	N25-N27 PolarHBondContact O-N 2.89Å; N27-I29 HydrophobicContact CB-CG2 4.21Å; N27-I29 PolarHBondContact O-N 3.29Å; N27-I29 VanDerWaalsContact O-N 3.1Å; N27-C30 VanDerWaalsContact O-CB 3.27Å; N27-C30 WeakPolarHBondContact O-CB 3.19Å; N27-C30 PolarHBondContact O-N 2.93Å; N27-K55 PolarHBondContact OD1-NZ 2.03Å; N27-I192 HydrophobicContact CB-CG2 3.89Å; N27-I192 WeakPolarHBondContact ND2-CG2 3.45Å
28	D	71.7	Confident	62.9	Low	98 Å²	98	91.7 Å²	91.7	52%	0.524	46%	0.464	S	S	.	.	H	α-helix	trans	-58	-30.2	-173.5	-63.3	-42.7	0	0	0	112.7	C26 C30 N31 N32 L35 Y54	C26-D28 PolarHBondContact O-N 3.19Å; D28-C30 PolarHBondContact O-N 3.48Å; D28-N31 PolarHBondContact O-N 2.83Å; D28-N32 PolarHBondContact O-N 3.45Å; D28-L35 HydrophobicContact CB-CD1 3.71Å; D28-Y54 HydrophobicContact CB-CE2 4.23Å; D28-Y54 PolarHBondContact N-OH 3.15Å
29	I	75.2	Confident	64.2	Low	15 Å²	15	92.8 Å²	92.8	8%	0.077	47%	0.466	C	S	.	.	H	α-helix	trans	-59.5	-28.3	175	-156.6	171	0	0	0	113.2	N27 N31 N32 Y54 I192 H201	N27-I29 HydrophobicContact CB-CG2 4.21Å; N27-I29 PolarHBondContact O-N 3.29Å; N27-I29 VanDerWaalsContact O-N 3.1Å; I29-N31 VanDerWaalsContact C-N 3.26Å; I29-N31 PolarHBondContact O-N 2.02Å; I29-N32 CarbonylContact O-C 3.53Å; I29-N32 VanDerWaalsContact O-C 3.28Å; I29-N32 PolarHBondContact O-N 3.29Å; I29-Y54 HydrophobicContact CB-CE1 4.11Å; I29-Y54 HydrophobicContact CB-CE2 4.42Å; I29-Y54 HydrophobicContact CD1-CD1 4.35Å; I29-Y54 HydrophobicContact CD1-CE1 4.46Å; I29-Y54 HydrophobicContact CG2-CE1 4.26Å; I29-I192 HydrophobicContact CD1-CD1 4.22Å; I29-I192 HydrophobicContact CG2-CB 4.5Å; I29-I192 HydrophobicContact CG2-CD1 3.8Å; I29-I192 HydrophobicContact CG2-CG2 3.71Å; I29-H201 HydrophobicContact CD1-CB 4.16Å
30	C	78.8	Confident	65.7	Low	39 Å²	39	85 Å²	85	26%	0.264	44%	0.437	S	S	.	.	H	α-helix	trans	-68.2	-29.3	177.2	-60.5	0	0	0	0	111.7	N27 D28 C194	N27-C30 VanDerWaalsContact O-CB 3.27Å; N27-C30 WeakPolarHBondContact O-CB 3.19Å; N27-C30 PolarHBondContact O-N 2.93Å; D28-C30 PolarHBondContact O-N 3.48Å; C30-C194 VanDerWaalsContact CA-SG 3.56Å; C30-C194 HydrophobicContact CB-CB 3.8Å; C30-C194 WeakPolarHBondContact CB-SG 3.46Å; C30-C194 VanDerWaalsContact SG-CA 3.57Å; C30-C194 WeakPolarHBondContact SG-CB 3.5Å; C30-C194 CovalentContact SG-SG 2.04Å; C30-C194 PolarHBondContact SG-SG 3.08Å
31	N	77.2	Confident	67.5	Low	121 Å²	121	85.1 Å²	85.1	65%	0.647	44%	0.436	S	S	*	.	H	α-helix	trans	-94.3	-26.3	177.8	-65.4	-44.4	0	0	0	112.4	D28 I29	D28-N31 PolarHBondContact O-N 2.83Å; I29-N31 VanDerWaalsContact C-N 3.26Å; I29-N31 PolarHBondContact O-N 2.02Å
32	N	72.6	Confident	69.1	Low	65 Å²	65	80 Å²	80	35%	0.348	42%	0.418	S	S	.	.			trans	-135.7	87.6	179.2	-174	6.7	0	0	0	110.4	D28 I29 D34 L35	D28-N32 PolarHBondContact O-N 3.45Å; I29-N32 CarbonylContact O-C 3.53Å; I29-N32 VanDerWaalsContact O-C 3.28Å; I29-N32 PolarHBondContact O-N 3.29Å; N32-D34 PolarHBondContact O-N 3.34Å; N32-D34 VanDerWaalsContact O-N 3.15Å; N32-D34 WeakPolarHBondContact OD1-CB 3.25Å; N32-D34 PolarHBondContact OD1-N 2.79Å; N32-L35 HydrophobicContact CB-CD1 3.93Å; N32-L35 HydrophobicContact CB-CG 3.99Å; N32-L35 WeakPolarHBondContact O-CB 3.19Å; N32-L35 WeakPolarHBondContact O-CG 3.34Å; N32-L35 PolarHBondContact O-N 3.4Å; N32-L35 VanDerWaalsContact O-N 3.09Å
33	P	70	Confident	70.9	Confident	89 Å²	89	77.6 Å²	77.6	58%	0.578	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-57.5	-27.4	179.8	-25.7	35.2	0	0	0	113.6	L35 G36	P33-L35 PolarHBondContact O-N 3.33Å; P33-L35 VanDerWaalsContact O-N 3.16Å; P33-G36 PolarHBondContact O-N 3.27Å
34	D	68.1	Low	72.9	Confident	124 Å²	124	74.6 Å²	74.6	66%	0.663	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-62.2	-23.5	179.1	-60	-25.6	0	0	0	112.4	N32 G36 H37 H38	N32-D34 PolarHBondContact O-N 3.34Å; N32-D34 VanDerWaalsContact O-N 3.15Å; N32-D34 WeakPolarHBondContact OD1-CB 3.25Å; N32-D34 PolarHBondContact OD1-N 2.79Å; D34-G36 PolarHBondContact O-N 2.03Å; D34-H37 PolarHBondContact O-N 3.38Å; D34-H38 PolarHBondContact O-N 3.47Å
35	L	66.2	Low	75.1	Confident	45 Å²	45	70.3 Å²	70.3	24%	0.236	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-61.2	-24	172.5	-66.8	175.8	0	0	0	112.2	D28 N32 P33 H37 H38 Y54	D28-L35 HydrophobicContact CB-CD1 3.71Å; N32-L35 HydrophobicContact CB-CD1 3.93Å; N32-L35 HydrophobicContact CB-CG 3.99Å; N32-L35 WeakPolarHBondContact O-CB 3.19Å; N32-L35 WeakPolarHBondContact O-CG 3.34Å; N32-L35 PolarHBondContact O-N 3.4Å; N32-L35 VanDerWaalsContact O-N 3.09Å; P33-L35 PolarHBondContact O-N 3.33Å; P33-L35 VanDerWaalsContact O-N 3.16Å; L35-H37 VanDerWaalsContact C-N 3.3Å; L35-H37 PolarHBondContact O-N 2.87Å; L35-H38 PolarHBondContact O-N 3.48Å; L35-Y54 HydrophobicContact CB-CD2 4.33Å
36	G	62.3	Low	77.3	Confident	15 Å²	15	74 Å²	74	16%	0.155	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-74.9	-16.6	-178.6	0	0	0	0	0	115.2	P33 D34 H201	P33-G36 PolarHBondContact O-N 3.27Å; D34-G36 PolarHBondContact O-N 2.03Å; G36-H201 VanDerWaalsContact CA-CD2 3.43Å; G36-H201 WeakPolarHBondContact CA-CD2 3.46Å; G36-H201 PolarHBondContact O-CD2 3.49Å; G36-H201 VanDerWaalsContact O-CD2 3.26Å; G36-H201 PolarHBondContact O-NE2 2.9Å
37	H	66.5	Low	79	Confident	177 Å²	177	73.6 Å²	73.6	82%	0.819	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-111.1	4.4	175.2	-63.2	-53.4	0	0	0	112.3	D34 L35 E39	D34-H37 PolarHBondContact O-N 3.38Å; L35-H37 VanDerWaalsContact C-N 3.3Å; L35-H37 PolarHBondContact O-N 2.87Å; H37-E39 PolarHBondContact O-N 2.85Å
38	H	71.9	Confident	80.4	Confident	81 Å²	81	74.8 Å²	74.8	38%	0.375	40%	0.395	S	S	.	.			trans	-81.4	92.2	-173.5	-162.7	60.3	0	0	0	110.9	D34 L35 I40	D34-H38 PolarHBondContact O-N 3.47Å; L35-H38 PolarHBondContact O-N 3.48Å; H38-I40 VanDerWaalsContact NE2-CD1 3.34Å; H38-I40 WeakPolarHBondContact NE2-CD1 3.42Å; H38-I40 WeakPolarHBondContact NE2-CG1 3.39Å
39	E	85.2	Confident	81.6	Confident	80 Å²	80	70.9 Å²	70.9	37%	0.374	37%	0.372	S	S	.	.			trans	-95.2	128.2	163.5	174.7	173.5	-148.2	0	0	109.7	H37 V41 R49 L52 H53	H37-E39 PolarHBondContact O-N 2.85Å; E39-V41 HydrophobicContact CG-CG2 4.05Å; E39-R49 VanDerWaalsContact CD-NH2 3.31Å; E39-R49 IonicContact OE1-CZ 3.5Å; E39-R49 IonicContact OE1-NE 3.29Å; E39-R49 IonicContact OE1-NH2 3.37Å; E39-R49 PolarHBondContact OE1-NH2 3.35Å; E39-R49 IonicContact OE2-NH2 3.61Å; E39-R49 PolarHBondContact OE2-NH2 3.39Å; E39-L52 WeakPolarHBondContact CA-O 3.46Å; E39-H53 VanDerWaalsContact CG-CE1 3.5Å; E39-H53 WeakPolarHBondContact CG-CE1 3.37Å; E39-H53 IonicContact OE1-CE1 3.54Å; E39-H53 PolarHBondContact OE1-CE1 2.8Å; E39-H53 IonicContact OE1-NE2 2.77Å
40	I	84.2	Confident	82.5	Confident	11 Å²	11	71.1 Å²	71.1	6%	0.056	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108.4	166.6	-51.5	174.8	0	0	0	108.3	H38 I42 S51 L52 I255	H38-I40 VanDerWaalsContact NE2-CD1 3.34Å; H38-I40 WeakPolarHBondContact NE2-CD1 3.42Å; H38-I40 WeakPolarHBondContact NE2-CG1 3.39Å; I40-I42 HydrophobicContact CB-CD1 4.4Å; I40-I42 HydrophobicContact CG2-CD1 3.63Å; I40-I42 PolarHBondContact O-N 2.91Å; I40-S51 CarbonylContact O-C 3.57Å; I40-S51 VanDerWaalsContact O-CA 3.24Å; I40-S51 WeakPolarHBondContact O-CA 3.27Å; I40-L52 HydrophobicContact CB-CB 4.42Å; I40-L52 PolarHBondContact N-O 3.36Å; I40-L52 PolarHBondContact O-N 3.49Å; I40-I255 HydrophobicContact CD1-CD1 3.53Å
41	V	88.9	Confident	83.2	Confident	54 Å²	54	69.2 Å²	69.2	33%	0.327	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	115.5	169.2	-176.4	0	0	0	0	108.6	E39 E44 R49	E39-V41 HydrophobicContact CG-CG2 4.05Å; V41-E44 HydrophobicContact CG1-CB 3.83Å; V41-R49 HydrophobicContact CG1-CG 4.43Å
42	I	86.5	Confident	83.8	Confident	31 Å²	31	63.8 Å²	63.8	16%	0.159	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-45.5	-177.5	-53.8	-65.6	0	0	0	109.9	I40 Y50 L52 L242 I255 S257	I40-I42 HydrophobicContact CB-CD1 4.4Å; I40-I42 HydrophobicContact CG2-CD1 3.63Å; I40-I42 PolarHBondContact O-N 2.91Å; I42-Y50 HydrophobicContact CB-CD1 3.8Å; I42-Y50 HydrophobicContact CB-CE1 4.45Å; I42-Y50 HydrophobicContact CG1-CD1 3.88Å; I42-Y50 HydrophobicContact CG1-CE1 4.1Å; I42-Y50 HydrophobicContact CG2-CD1 4.21Å; I42-Y50 PolarHBondContact N-O 3.02Å; I42-L52 HydrophobicContact CD1-CD1 4.01Å; I42-L52 HydrophobicContact CD1-CG 4.24Å; I42-L52 HydrophobicContact CG1-CD1 4.36Å; I42-L52 HydrophobicContact CG1-CG 4.08Å; I42-L242 HydrophobicContact CD1-CD2 4.13Å; I42-L242 HydrophobicContact CG1-CD2 4.4Å; I42-I255 HydrophobicContact CD1-CG2 4.07Å; I42-S257 VanDerWaalsContact CD1-OG 3.24Å; I42-S257 WeakPolarHBondContact CD1-OG 3.19Å
43	I	87.9	Confident	84.6	Confident	95 Å²	95	61.8 Å²	61.8	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	134.9	178.3	-62.6	168.9	0	0	0	108	Y48 R49 Y50	I43-Y48 HydrophobicContact CG2-CD1 4.29Å; I43-R49 CarbonylContact O-C 3.54Å; I43-R49 WeakPolarHBondContact O-CA 3.41Å; I43-Y50 PolarHBondContact N-O 3.42Å; I43-Y50 PolarHBondContact O-N 3.45Å
44	E	93.4	Very high	85.4	Confident	78 Å²	78	58.4 Å²	58.4	36%	0.364	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	132	169.9	-175.8	167.3	164.9	0	0	109.7	V41 Y48 R49 K208 W209	V41-E44 HydrophobicContact CG1-CB 3.83Å; E44-Y48 WeakPolarHBondContact CA-O 3.44Å; E44-R49 HydrophobicContact CB-CG 4.33Å; E44-R49 HydrophobicContact CG-CB 4.25Å; E44-R49 HydrophobicContact CG-CG 4.22Å; E44-R49 IonicContact OE1-NH1 3.87Å; E44-R49 PolarHBondContact OE1-NH1 3.44Å; E44-R49 WeakPolarHBondContact OE2-CD 3.18Å; E44-R49 IonicContact OE2-CZ 2.67Å; E44-R49 IonicContact OE2-NE 3.81Å; E44-R49 IonicContact OE2-NH1 2.65Å; E44-R49 PolarHBondContact OE2-NH1 3.06Å; E44-K208 WeakPolarHBondContact OE1-CE 3.41Å; E44-K208 IonicContact OE1-NZ 3.79Å; E44-K208 PolarHBondContact OE1-NZ 3.24Å; E44-W209 HydrophobicContact CG-CZ2 4.06Å
45	N	94	Very high	86.3	Confident	75 Å²	75	55.2 Å²	55.2	40%	0.401	28%	0.275	S	S	.	.			trans	-139.9	-173	168.5	68.8	45.5	0	0	0	109.2	T47 Y48 W209	N45-T47 PolarHBondContact O-N 3.26Å; N45-T47 VanDerWaalsContact O-N 3.16Å; N45-T47 PolarHBondContact OD1-N 2.9Å; N45-T47 PolarHBondContact OD1-OG1 3.08Å; N45-T47 VanDerWaalsContact OD1-OG1 3.05Å; N45-Y48 PolarHBondContact N-O 2.92Å; N45-Y48 PolarHBondContact OD1-N 3.28Å; N45-W209 WeakPolarHBondContact O-CH2 3.28Å; N45-W209 WeakPolarHBondContact O-CZ2 3.31Å
46	D	94.5	Very high	87.6	Confident	140 Å²	140	53.1 Å²	53.1	75%	0.749	26%	0.264	S	S	*	.	S	Bend	trans	-67.4	-15.4	-174.8	-63.5	-25.9	0	0	0	115.5	R62	D46-R62 VanDerWaalsContact O-CD 3.29Å; D46-R62 WeakPolarHBondContact O-CD 3.5Å; D46-R62 PolarHBondContact O-NH1 3.41Å
47	T	96.4	Very high	89.1	Confident	66 Å²	66	52.7 Å²	52.7	41%	0.405	26%	0.259	S	S	.	.	S	Bend	trans	-126.4	-15.9	-172.4	61.3	0	0	0	0	114	N45 Q61 R62	N45-T47 PolarHBondContact O-N 3.26Å; N45-T47 VanDerWaalsContact O-N 3.16Å; N45-T47 PolarHBondContact OD1-N 2.9Å; N45-T47 PolarHBondContact OD1-OG1 3.08Å; N45-T47 VanDerWaalsContact OD1-OG1 3.05Å; T47-Q61 CarbonylContact O-C 3.28Å; T47-Q61 WeakPolarHBondContact O-CA 3.34Å; T47-R62 PolarHBondContact O-N 3.48Å
48	Y	96.6	Very high	90.5	Very high	71 Å²	71	44.2 Å²	44.2	28%	0.278	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	134.4	-173.3	-177	-89.8	0	0	0	110.8	I43 E44 N45 T59 I60 Q61	I43-Y48 HydrophobicContact CG2-CD1 4.29Å; E44-Y48 WeakPolarHBondContact CA-O 3.44Å; N45-Y48 PolarHBondContact N-O 2.92Å; N45-Y48 PolarHBondContact OD1-N 3.28Å; Y48-T59 HydrophobicContact CD2-CG2 4.47Å; Y48-T59 HydrophobicContact CE2-CG2 3.59Å; Y48-I60 CarbonylContact C-O 3.59Å; Y48-I60 VanDerWaalsContact CA-O 3.29Å; Y48-I60 WeakPolarHBondContact CA-O 3.27Å; Y48-Q61 HydrophobicContact CD2-CG 3.86Å; Y48-Q61 HydrophobicContact CE2-CG 4.06Å
49	R	96.9	Very high	91.8	Very high	16 Å²	16	41 Å²	41	6%	0.06	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.1	169.9	177.5	176.9	171.1	148	-13.4	109.7	E39 V41 I43 E44 T59 I60 W209	E39-R49 VanDerWaalsContact CD-NH2 3.31Å; E39-R49 IonicContact OE1-CZ 3.5Å; E39-R49 IonicContact OE1-NE 3.29Å; E39-R49 IonicContact OE1-NH2 3.37Å; E39-R49 PolarHBondContact OE1-NH2 3.35Å; E39-R49 IonicContact OE2-NH2 3.61Å; E39-R49 PolarHBondContact OE2-NH2 3.39Å; V41-R49 HydrophobicContact CG1-CG 4.43Å; I43-R49 CarbonylContact O-C 3.54Å; I43-R49 WeakPolarHBondContact O-CA 3.41Å; E44-R49 HydrophobicContact CB-CG 4.33Å; E44-R49 HydrophobicContact CG-CB 4.25Å; E44-R49 HydrophobicContact CG-CG 4.22Å; E44-R49 IonicContact OE1-NH1 3.87Å; E44-R49 PolarHBondContact OE1-NH1 3.44Å; E44-R49 WeakPolarHBondContact OE2-CD 3.18Å; E44-R49 IonicContact OE2-CZ 2.67Å; E44-R49 IonicContact OE2-NE 3.81Å; E44-R49 IonicContact OE2-NH1 2.65Å; E44-R49 PolarHBondContact OE2-NH1 3.06Å; R49-T59 CarbonylContact O-C 3.58Å; R49-T59 WeakPolarHBondContact O-CA 3.3Å; R49-I60 HydrophobicContact CB-CB 4.17Å; R49-I60 HydrophobicContact CB-CD1 4.46Å; R49-I60 HydrophobicContact CB-CG1 4.44Å; R49-I60 PolarHBondContact N-O 3.28Å; R49-I60 PolarHBondContact O-N 3.37Å; R49-W209 HydrophobicContact CB-CH2 4.14Å; R49-W209 HydrophobicContact CB-CZ2 3.71Å
50	Y	94.7	Very high	92.4	Very high	20 Å²	20	37.1 Å²	37.1	8%	0.078	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.9	171.1	-176.6	-113.7	0	0	0	109.3	I42 I43 L52 S57 M58 T59	I42-Y50 HydrophobicContact CB-CD1 3.8Å; I42-Y50 HydrophobicContact CB-CE1 4.45Å; I42-Y50 HydrophobicContact CG1-CD1 3.88Å; I42-Y50 HydrophobicContact CG1-CE1 4.1Å; I42-Y50 HydrophobicContact CG2-CD1 4.21Å; I42-Y50 PolarHBondContact N-O 3.02Å; I43-Y50 PolarHBondContact N-O 3.42Å; I43-Y50 PolarHBondContact O-N 3.45Å; Y50-L52 HydrophobicContact CE1-CD2 4.09Å; Y50-S57 WeakPolarHBondContact OH-CB 3.38Å; Y50-M58 WeakPolarHBondContact CA-O 3.34Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.39Å
51	S	92.7	Very high	93.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.9	-178.1	55	0	0	0	0	111.1	I40 H53 S57 M58	I40-S51 CarbonylContact O-C 3.57Å; I40-S51 VanDerWaalsContact O-CA 3.24Å; I40-S51 WeakPolarHBondContact O-CA 3.27Å; S51-H53 PolarHBondContact OG-NE2 3.47Å; S51-S57 CarbonylContact O-C 3.52Å; S51-S57 WeakPolarHBondContact O-CA 3.41Å; S51-M58 PolarHBondContact N-O 3.49Å; S51-M58 PolarHBondContact O-N 3.43Å; S51-M58 PolarHBondContact OG-O 3.2Å
52	L	89.9	Confident	93.5	Very high	7 Å²	7	41 Å²	41	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.5	173.1	-59.3	178.9	0	0	0	109.9	E39 I40 I42 Y50 I221 L242 I255	E39-L52 WeakPolarHBondContact CA-O 3.46Å; I40-L52 HydrophobicContact CB-CB 4.42Å; I40-L52 PolarHBondContact N-O 3.36Å; I40-L52 PolarHBondContact O-N 3.49Å; I42-L52 HydrophobicContact CD1-CD1 4.01Å; I42-L52 HydrophobicContact CD1-CG 4.24Å; I42-L52 HydrophobicContact CG1-CD1 4.36Å; I42-L52 HydrophobicContact CG1-CG 4.08Å; Y50-L52 HydrophobicContact CE1-CD2 4.09Å; L52-I221 HydrophobicContact CD2-CD1 4.13Å; L52-L242 HydrophobicContact CD1-CD1 3.71Å; L52-L242 HydrophobicContact CD1-CD2 3.68Å; L52-L242 HydrophobicContact CD1-CG 4.36Å; L52-L242 HydrophobicContact CD2-CD1 4.25Å; L52-L242 HydrophobicContact CG-CD2 4.45Å; L52-I255 HydrophobicContact CD1-CD1 3.5Å
53	H	90.1	Very high	94	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.102	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	173.8	180	-60	-90	0	0	0	108.6	E39 S51 K55 Y56 I203	E39-H53 VanDerWaalsContact CG-CE1 3.5Å; E39-H53 WeakPolarHBondContact CG-CE1 3.37Å; E39-H53 IonicContact OE1-CE1 3.54Å; E39-H53 PolarHBondContact OE1-CE1 2.8Å; E39-H53 IonicContact OE1-NE2 2.77Å; S51-H53 PolarHBondContact OG-NE2 3.47Å; H53-K55 PolarHBondContact O-N 2.81Å; H53-K55 VanDerWaalsContact O-N 3.11Å; H53-Y56 CarbonylContact C-O 3.49Å; H53-Y56 WeakPolarHBondContact CA-O 3.26Å; H53-Y56 PolarHBondContact N-O 2.85Å; H53-Y56 PolarHBondContact O-N 2.78Å; H53-I203 HydrophobicContact CB-CD1 3.56Å; H53-I203 HydrophobicContact CB-CG1 3.92Å; H53-I203 HydrophobicContact CB-CG2 4.11Å; H53-I203 VanDerWaalsContact CG-CG2 3.47Å; H53-I203 WeakPolarHBondContact ND1-CG2 3.04Å
54	Y	86.4	Confident	94.4	Very high	19 Å²	19	44.1 Å²	44.1	8%	0.075	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	119.2	173.8	178.5	-113.7	0	0	0	111.4	D28 I29 L35 Y56 I192	D28-Y54 HydrophobicContact CB-CE2 4.23Å; D28-Y54 PolarHBondContact N-OH 3.15Å; I29-Y54 HydrophobicContact CB-CE1 4.11Å; I29-Y54 HydrophobicContact CB-CE2 4.42Å; I29-Y54 HydrophobicContact CD1-CD1 4.35Å; I29-Y54 HydrophobicContact CD1-CE1 4.46Å; I29-Y54 HydrophobicContact CG2-CE1 4.26Å; L35-Y54 HydrophobicContact CB-CD2 4.33Å; Y54-Y56 PolarHBondContact O-N 3.4Å; Y54-I192 HydrophobicContact CD1-CD1 4.44Å; Y54-I192 HydrophobicContact CE1-CD1 3.88Å
55	K	87.9	Confident	94.5	Very high	56 Å²	56	45.1 Å²	45.1	24%	0.243	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-3.3	-176.7	-60.3	-170.2	-178.1	-175	0	117.2	N27 H53 Y92 A220 I221	N27-K55 PolarHBondContact OD1-NZ 2.03Å; H53-K55 PolarHBondContact O-N 2.81Å; H53-K55 VanDerWaalsContact O-N 3.11Å; K55-Y92 PolarHBondContact NZ-O 3.02Å; K55-A220 WeakPolarHBondContact O-CA 2.92Å; K55-I221 WeakPolarHBondContact O-CG1 3.37Å; K55-I221 PolarHBondContact O-N 3.47Å
56	Y	93	Very high	94.6	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.4	-176.7	-75.4	-88.4	0	0	0	112.8	H53 Y54 Y92 I188 I203 E219 A220	H53-Y56 CarbonylContact C-O 3.49Å; H53-Y56 WeakPolarHBondContact CA-O 3.26Å; H53-Y56 PolarHBondContact N-O 2.85Å; H53-Y56 PolarHBondContact O-N 2.78Å; Y54-Y56 PolarHBondContact O-N 3.4Å; Y56-Y92 HydrophobicContact CD2-CE1 4.44Å; Y56-Y92 HydrophobicContact CD2-CE2 4.24Å; Y56-Y92 HydrophobicContact CE2-CD1 4.21Å; Y56-Y92 AromaticContact CE2-CD2 3.58Å; Y56-Y92 HydrophobicContact CE2-CD2 3.58Å; Y56-Y92 HydrophobicContact CE2-CE1 4.28Å; Y56-Y92 AromaticContact CE2-CE2 3.69Å; Y56-Y92 HydrophobicContact CE2-CE2 3.69Å; Y56-Y92 AromaticContact CE2-CG 3.88Å; Y56-Y92 HydrophobicContact CE2-CG 3.88Å; Y56-Y92 PolarHBondContact OH-N 3.16Å; Y56-I188 HydrophobicContact CD1-CD1 3.9Å; Y56-I188 HydrophobicContact CD2-CD1 4.01Å; Y56-I188 HydrophobicContact CE1-CD1 4.02Å; Y56-I188 HydrophobicContact CE2-CD1 4.14Å; Y56-I188 HydrophobicContact CG-CD1 3.89Å; Y56-I203 HydrophobicContact CD2-CD1 4.08Å; Y56-I203 HydrophobicContact CG-CD1 4.19Å; Y56-E219 CarbonylContact C-O 3.59Å; Y56-E219 WeakPolarHBondContact CA-O 3.02Å; Y56-E219 WeakPolarHBondContact CD1-O 3.03Å; Y56-A220 HydrophobicContact CE1-CB 4.18Å
57	S	93.3	Very high	94.6	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	145.1	157	61.5	0	0	0	0	109.8	Y50 S51 Y218 E219	Y50-S57 WeakPolarHBondContact OH-CB 3.38Å; S51-S57 CarbonylContact O-C 3.52Å; S51-S57 WeakPolarHBondContact O-CA 3.41Å; S57-Y218 WeakPolarHBondContact O-CA 3.4Å; S57-E219 PolarHBondContact N-O 3.02Å; S57-E219 PolarHBondContact O-N 3.19Å
58	M	97	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.7	173.1	-175	-153.4	-57.8	0	0	109.6	Y50 S51 I60 I203 S204 V216 V217 Y218	Y50-M58 WeakPolarHBondContact CA-O 3.34Å; S51-M58 PolarHBondContact N-O 3.49Å; S51-M58 PolarHBondContact O-N 3.43Å; S51-M58 PolarHBondContact OG-O 3.2Å; M58-I60 HydrophobicContact CG-CG1 4.28Å; M58-I60 HydrophobicContact SD-CD1 3.8Å; M58-I60 HydrophobicContact SD-CG1 3.87Å; M58-I203 HydrophobicContact CE-CG2 3.34Å; M58-S204 WeakPolarHBondContact CE-O 3.29Å; M58-V216 HydrophobicContact CG-CG1 3.74Å; M58-V216 HydrophobicContact SD-CG1 4.18Å; M58-V217 WeakPolarHBondContact CA-O 3Å; M58-Y218 HydrophobicContact CB-CD1 4.08Å; M58-Y218 HydrophobicContact CB-CE1 4.01Å; M58-Y218 HydrophobicContact CE-CE1 3.58Å; M58-Y218 HydrophobicContact CG-CD1 4.13Å; M58-Y218 HydrophobicContact CG-CE1 3.76Å; M58-Y218 HydrophobicContact SD-CE1 4.37Å
59	T	97.7	Very high	94.5	Very high	12 Å²	12	38.5 Å²	38.5	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.1	171.9	-54.5	0	0	0	0	109.3	Y48 R49 Y50 Q61 V216 V217	Y48-T59 HydrophobicContact CD2-CG2 4.47Å; Y48-T59 HydrophobicContact CE2-CG2 3.59Å; R49-T59 CarbonylContact O-C 3.58Å; R49-T59 WeakPolarHBondContact O-CA 3.3Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.39Å; T59-Q61 HydrophobicContact CG2-CG 3.94Å; T59-V216 CarbonylContact O-C 3.59Å; T59-V216 WeakPolarHBondContact O-CA 3.36Å; T59-V217 PolarHBondContact N-O 2.94Å; T59-V217 PolarHBondContact O-N 2.87Å
60	I	98.5	Very high	94.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.4	173.6	-50.1	-177.1	0	0	0	108.4	Y48 R49 M58 V205 W209 T214 L215 V216	Y48-I60 CarbonylContact C-O 3.59Å; Y48-I60 VanDerWaalsContact CA-O 3.29Å; Y48-I60 WeakPolarHBondContact CA-O 3.27Å; R49-I60 HydrophobicContact CB-CB 4.17Å; R49-I60 HydrophobicContact CB-CD1 4.46Å; R49-I60 HydrophobicContact CB-CG1 4.44Å; R49-I60 PolarHBondContact N-O 3.28Å; R49-I60 PolarHBondContact O-N 3.37Å; M58-I60 HydrophobicContact CG-CG1 4.28Å; M58-I60 HydrophobicContact SD-CD1 3.8Å; M58-I60 HydrophobicContact SD-CG1 3.87Å; I60-V205 HydrophobicContact CD1-CG1 4.07Å; I60-W209 HydrophobicContact CB-CD2 4.43Å; I60-W209 HydrophobicContact CB-CE3 4.27Å; I60-W209 HydrophobicContact CD1-CB 3.99Å; I60-W209 HydrophobicContact CD1-CD2 4.19Å; I60-W209 HydrophobicContact CD1-CG 3.78Å; I60-W209 HydrophobicContact CG2-CB 4.06Å; I60-W209 HydrophobicContact CG2-CD2 3.77Å; I60-W209 HydrophobicContact CG2-CE3 3.38Å; I60-W209 HydrophobicContact CG2-CG 4.08Å; I60-W209 HydrophobicContact CG2-CZ3 4.02Å; I60-T214 HydrophobicContact CG2-CG2 3.45Å; I60-T214 VanDerWaalsContact CG2-CG2 3.45Å; I60-L215 WeakPolarHBondContact CA-O 3.29Å; I60-V216 HydrophobicContact CG1-CG1 4.3Å; I60-V216 HydrophobicContact CG1-CG2 4.17Å; I60-V216 HydrophobicContact CG2-CG2 4.19Å
61	Q	98.2	Very high	94.3	Very high	64 Å²	64	46.6 Å²	46.6	30%	0.299	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.3	177.7	-51.1	-171.6	7.1	0	0	110.4	T47 Y48 T59 Q64 T214 L215	T47-Q61 CarbonylContact O-C 3.28Å; T47-Q61 WeakPolarHBondContact O-CA 3.34Å; Y48-Q61 HydrophobicContact CD2-CG 3.86Å; Y48-Q61 HydrophobicContact CE2-CG 4.06Å; T59-Q61 HydrophobicContact CG2-CG 3.94Å; Q61-Q64 HydrophobicContact CB-CG 3.65Å; Q61-Q64 WeakPolarHBondContact O-CG 3.29Å; Q61-T214 CarbonylContact O-C 3.55Å; Q61-T214 WeakPolarHBondContact O-CA 3.28Å; Q61-T214 WeakPolarHBondContact O-CG2 3.36Å; Q61-L215 PolarHBondContact N-O 3.29Å; Q61-L215 PolarHBondContact O-N 3.47Å
62	R	97.7	Very high	94.4	Very high	81 Å²	81	50.8 Å²	50.8	31%	0.306	26%	0.262	S	S	.	.	S	Bend	trans	-90.4	165	174.7	-70.2	-176.3	70.7	-156.4	-2.9	112.1	D46 T47 Q64 W209 G213 T214	D46-R62 VanDerWaalsContact O-CD 3.29Å; D46-R62 WeakPolarHBondContact O-CD 3.5Å; D46-R62 PolarHBondContact O-NH1 3.41Å; T47-R62 PolarHBondContact O-N 3.48Å; R62-Q64 PolarHBondContact O-N 2.98Å; R62-Q64 PolarHBondContact O-NE2 3.39Å; R62-W209 HydrophobicContact CG-CE3 3.93Å; R62-W209 HydrophobicContact CG-CZ3 3.75Å; R62-G213 CarbonylContact C-O 3.59Å; R62-T214 HydrophobicContact CG-CG2 4.06Å
63	N	96.6	Very high	94.8	Very high	122 Å²	122	50.9 Å²	50.9	65%	0.652	26%	0.263	S	S	*	.	S	Bend	trans	56.7	33.9	178.2	-51.1	-37.5	0	0	0	112.7	G213	N63-G213 WeakPolarHBondContact CA-O 3.36Å; N63-G213 PolarHBondContact N-O 3.3Å
64	Q	97.7	Very high	94.7	Very high	70 Å²	70	57.6 Å²	57.6	33%	0.327	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-87.9	150.8	176.1	-60.1	-52.6	-56.5	0	0	110.1	Q61 R62 Y171 G213 L215	Q61-Q64 HydrophobicContact CB-CG 3.65Å; Q61-Q64 WeakPolarHBondContact O-CG 3.29Å; R62-Q64 PolarHBondContact O-N 2.98Å; R62-Q64 PolarHBondContact O-NE2 3.39Å; Q64-Y171 HydrophobicContact CB-CE2 4.42Å; Q64-Y171 PolarHBondContact O-OH 3.2Å; Q64-Y171 VanDerWaalsContact O-OH 3.08Å; Q64-G213 PolarHBondContact N-O 3.18Å; Q64-L215 HydrophobicContact CB-CB 3.95Å; Q64-L215 HydrophobicContact CG-CB 3.93Å
65	S	95.8	Very high	94.8	Very high	100 Å²	100	60.7 Å²	60.7	70%	0.699	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-77.2	163.4	167.9	-62.7	0	0	0	0	110.3	Y171	S65-Y171 WeakPolarHBondContact O-CE2 3.31Å
66	Q	94.7	Very high	95	Very high	75 Å²	75	63.3 Å²	63.3	35%	0.35	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-52.4	128.6	170.7	-79.2	175	-3.1	0	0	109.8	V68 S70 Y171 D173	Q66-V68 PolarHBondContact O-N 2.96Å; Q66-S70 PolarHBondContact NE2-OG 3.49Å; Q66-S70 PolarHBondContact OE1-OG 3.13Å; Q66-Y171 HydrophobicContact CB-CE1 4.12Å; Q66-Y171 HydrophobicContact CG-CD1 3.98Å; Q66-Y171 HydrophobicContact CG-CE1 3.32Å; Q66-Y171 PolarHBondContact N-OH 3.03Å; Q66-D173 VanDerWaalsContact CD-OD1 3.29Å; Q66-D173 WeakPolarHBondContact CG-OD1 3.38Å; Q66-D173 PolarHBondContact NE2-OD1 3.47Å
67	P	94.4	Very high	94.8	Very high	59 Å²	59	63.6 Å²	63.6	38%	0.383	32%	0.322	S	S	.	.	S	Bend	trans	-65.4	-21.4	177.8	26	-34.5	0	0	0	112.2	L161 Y171 L215	P67-L161 HydrophobicContact CB-CD1 4.11Å; P67-L161 HydrophobicContact CG-CD1 3.63Å; P67-Y171 HydrophobicContact CG-CG 4.38Å; P67-L215 HydrophobicContact CB-CD1 4.49Å; P67-L215 HydrophobicContact CG-CD1 4.15Å
68	V	95.5	Very high	94.5	Very high	15 Å²	15	69.7 Å²	69.7	9%	0.091	35%	0.354	C	S	.	.	S	Bend	trans	-143.4	141.4	-179.5	-175.6	0	0	0	0	109.7	Q66 S70 R72 F73 L133 L138 L161	Q66-V68 PolarHBondContact O-N 2.96Å; V68-S70 PolarHBondContact O-N 3.15Å; V68-R72 HydrophobicContact CG1-CB 4.11Å; V68-R72 HydrophobicContact CG1-CG 4.42Å; V68-F73 HydrophobicContact CB-CE2 4.46Å; V68-F73 HydrophobicContact CG1-CE2 4.4Å; V68-L133 HydrophobicContact CG1-CD1 3.6Å; V68-L138 HydrophobicContact CG2-CD2 3.68Å; V68-L161 HydrophobicContact CB-CD1 4.45Å; V68-L161 HydrophobicContact CG2-CD1 3.58Å; V68-L161 HydrophobicContact CG2-CD2 4.28Å
69	S	95.1	Very high	94.1	Very high	63 Å²	63	71.1 Å²	71.1	44%	0.441	37%	0.369	S	S	.	.			trans	-59	134.7	175.2	176.9	0	0	0	0	112	E71 R72	S69-E71 PolarHBondContact O-N 2.88Å; S69-E71 VanDerWaalsContact O-N 3.13Å; S69-E71 PolarHBondContact OG-N 3.34Å; S69-R72 PolarHBondContact O-N 2.75Å; S69-R72 VanDerWaalsContact O-N 3.09Å
70	S	93.4	Very high	93.8	Very high	38 Å²	38	73.9 Å²	73.9	27%	0.266	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-56.7	-26.9	176.8	-70	0	0	0	0	113.8	Q66 V68 R72 F73 K142	Q66-S70 PolarHBondContact NE2-OG 3.49Å; Q66-S70 PolarHBondContact OE1-OG 3.13Å; V68-S70 PolarHBondContact O-N 3.15Å; S70-R72 PolarHBondContact O-N 3.39Å; S70-F73 PolarHBondContact O-N 3.31Å; S70-K142 PolarHBondContact OG-NZ 3.12Å
71	E	94.3	Very high	93.6	Very high	168 Å²	168	77 Å²	77	79%	0.785	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-70.2	-17.8	179.5	-63.5	178.2	175.9	0	0	113.6	S69 F73	S69-E71 PolarHBondContact O-N 2.88Å; S69-E71 VanDerWaalsContact O-N 3.13Å; S69-E71 PolarHBondContact OG-N 3.34Å; E71-F73 VanDerWaalsContact C-N 3.27Å; E71-F73 PolarHBondContact O-N 2.99Å
72	R	96.5	Very high	93.4	Very high	89 Å²	89	81.3 Å²	81.3	34%	0.336	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-75.2	-17.6	176.9	-71	179.2	61.4	-164.7	-1.5	112.7	V68 S69 S70 K74 L133 E135	V68-R72 HydrophobicContact CG1-CB 4.11Å; V68-R72 HydrophobicContact CG1-CG 4.42Å; S69-R72 PolarHBondContact O-N 2.75Å; S69-R72 VanDerWaalsContact O-N 3.09Å; S70-R72 PolarHBondContact O-N 3.39Å; R72-K74 PolarHBondContact O-N 3.49Å; R72-K74 VanDerWaalsContact O-N 3.17Å; R72-L133 HydrophobicContact CB-CD1 3.67Å; R72-L133 HydrophobicContact CB-CG 4.44Å; R72-E135 IonicContact CZ-OE1 3.67Å; R72-E135 VanDerWaalsContact CZ-OE1 3.31Å; R72-E135 IonicContact CZ-OE2 3.8Å; R72-E135 IonicContact NE-OE1 2.61Å; R72-E135 PolarHBondContact NE-OE1 2.94Å; R72-E135 IonicContact NE-OE2 3.31Å; R72-E135 IonicContact NH2-OE1 3.5Å; R72-E135 PolarHBondContact NH2-OE1 3.17Å; R72-E135 IonicContact NH2-OE2 3.44Å; R72-E135 PolarHBondContact NH2-OE2 3.28Å
73	F	96.5	Very high	93.2	Very high	9 Å²	9	77.7 Å²	77.7	4%	0.039	40%	0.399	C	S	.	.			trans	-84.1	86.5	175	-63.1	-91.1	0	0	0	110.3	V68 S70 E71 R131 V132 L133 K142 T159 L161	V68-F73 HydrophobicContact CB-CE2 4.46Å; V68-F73 HydrophobicContact CG1-CE2 4.4Å; S70-F73 PolarHBondContact O-N 3.31Å; E71-F73 VanDerWaalsContact C-N 3.27Å; E71-F73 PolarHBondContact O-N 2.99Å; F73-R131 HydrophobicContact CB-CB 3.79Å; F73-R131 WeakPolarHBondContact CD1-O 3.39Å; F73-V132 CarbonylContact C-O 3.54Å; F73-V132 WeakPolarHBondContact CA-O 3.04Å; F73-L133 HydrophobicContact CD1-CB 3.66Å; F73-L133 HydrophobicContact CE1-CB 3.68Å; F73-L133 HydrophobicContact CE1-CD1 4.46Å; F73-L133 HydrophobicContact CE2-CD1 4.39Å; F73-L133 HydrophobicContact CG-CB 4.26Å; F73-L133 HydrophobicContact CZ-CB 4.3Å; F73-L133 HydrophobicContact CZ-CD1 4.26Å; F73-K142 HydrophobicContact CB-CB 4.38Å; F73-K142 HydrophobicContact CD1-CB 3.64Å; F73-K142 HydrophobicContact CD2-CB 4.16Å; F73-K142 HydrophobicContact CD2-CD 4.3Å; F73-K142 HydrophobicContact CE1-CB 3.86Å; F73-K142 HydrophobicContact CE2-CB 4.34Å; F73-K142 HydrophobicContact CG-CB 3.8Å; F73-K142 HydrophobicContact CZ-CB 4.2Å; F73-T159 HydrophobicContact CE1-CG2 4.1Å; F73-T159 HydrophobicContact CE2-CG2 4.24Å; F73-T159 HydrophobicContact CZ-CG2 3.48Å; F73-T159 VanDerWaalsContact CZ-CG2 3.48Å; F73-L161 HydrophobicContact CE1-CD2 4.28Å; F73-L161 HydrophobicContact CZ-CD2 3.87Å
74	K	89	Confident	93.1	Very high	162 Å²	162	77.4 Å²	77.4	70%	0.704	40%	0.397	S	S	*	.			trans	-89.8	-43.6	-168	-65.3	174.7	-175.9	172	0	113.7	R72 V132	R72-K74 PolarHBondContact O-N 3.49Å; R72-K74 VanDerWaalsContact O-N 3.17Å; K74-V132 PolarHBondContact N-O 3.47Å
75	N	88.4	Confident	92.8	Very high	84 Å²	84	75 Å²	75	45%	0.449	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.1	-166.5	-64.8	-23.4	0	0	0	110.7	R131 V132	N75-R131 CarbonylContact O-C 3.55Å; N75-R131 VanDerWaalsContact O-CA 3.22Å; N75-R131 WeakPolarHBondContact O-CA 3.34Å; N75-V132 PolarHBondContact O-N 3.46Å
76	K	91.8	Very high	92.3	Very high	111 Å²	111	78 Å²	78	48%	0.483	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.7	169.9	-175.9	178.6	173.4	-176.9	0	110.2	D78 S130	K76-D78 WeakPolarHBondContact CE-OD1 3.09Å; K76-D78 IonicContact NZ-OD1 3.84Å; K76-S130 WeakPolarHBondContact CA-O 3.24Å
77	I	88.8	Confident	91.9	Very high	8 Å²	8	75.5 Å²	75.5	4%	0.041	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.9	175.8	-45	174.9	0	0	0	109.7	F101 S130 V132 V141	I77-F101 HydrophobicContact CD1-CB 3.71Å; I77-S130 PolarHBondContact N-O 3.38Å; I77-V132 HydrophobicContact CD1-CG2 3.19Å; I77-V132 HydrophobicContact CG1-CG2 3.38Å; I77-V141 HydrophobicContact CD1-CG2 4.14Å
78	D	86.2	Confident	91.6	Very high	134 Å²	134	77.6 Å²	77.6	72%	0.717	39%	0.394	S	S	*	.	S	Bend	trans	-110.4	6.9	174.3	-64.2	-41.8	0	0	0	113.2	K76	K76-D78 WeakPolarHBondContact CE-OD1 3.09Å; K76-D78 IonicContact NZ-OD1 3.84Å
79	G	88.9	Confident	91.4	Very high	30 Å²	30	77.2 Å²	77.2	31%	0.309	39%	0.392	S	S	.	.	S	Bend	trans	-165.9	-102.1	179.3	0	0	0	0	0	112.4	V103	G79-V103 WeakPolarHBondContact O-CB 3.14Å; G79-V103 PolarHBondContact O-N 3.32Å
80	V	92.1	Very high	91.2	Very high	70 Å²	70	76.5 Å²	76.5	42%	0.424	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.3	174.9	-177.2	0	0	0	0	109.4	R82 A100 F101	V80-R82 HydrophobicContact CG1-CG 4.19Å; V80-A100 HydrophobicContact CG1-CB 4.1Å; V80-F101 WeakPolarHBondContact CA-O 3.41Å
81	Y	94	Very high	91.2	Very high	64 Å²	64	74.7 Å²	74.7	25%	0.251	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.6	169.7	-173.1	-80.6	0	0	0	108.8	A100 F101 V132 D134	Y81-A100 CarbonylContact O-C 3.44Å; Y81-A100 WeakPolarHBondContact O-CA 3.44Å; Y81-F101 AromaticContact CD1-CD2 3.89Å; Y81-F101 HydrophobicContact CD1-CD2 3.89Å; Y81-F101 HydrophobicContact CD1-CE2 4.31Å; Y81-F101 PolarHBondContact N-O 3.26Å; Y81-F101 PolarHBondContact O-N 2.84Å; Y81-V132 HydrophobicContact CD1-CG1 4.04Å; Y81-V132 HydrophobicContact CD1-CG2 4.18Å; Y81-V132 HydrophobicContact CD2-CG2 4.37Å; Y81-V132 HydrophobicContact CE1-CG1 3.84Å; Y81-V132 HydrophobicContact CG-CG2 4Å; Y81-D134 HydrophobicContact CE1-CB 4.31Å; Y81-D134 WeakPolarHBondContact CE1-OD2 3.46Å; Y81-D134 VanDerWaalsContact CZ-OD2 3.31Å; Y81-D134 PolarHBondContact OH-OD2 2.84Å
82	R	94.5	Very high	91.1	Very high	156 Å²	156	67.2 Å²	67.2	59%	0.589	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	133.2	176.2	-68.6	-179.8	175.4	82.9	0.2	109.1	V80 E98 I99 A100	V80-R82 HydrophobicContact CG1-CG 4.19Å; R82-E98 HydrophobicContact CB-CG 4.41Å; R82-E98 WeakPolarHBondContact CD-OE2 3.39Å; R82-E98 IonicContact NE-OE1 3.87Å; R82-I99 WeakPolarHBondContact CA-O 3.48Å; R82-A100 HydrophobicContact CG-CB 4.06Å
83	S	93.5	Very high	90.7	Very high	5 Å²	5	65.8 Å²	65.8	4%	0.035	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.1	174.2	178.3	0	0	0	0	108.8	P85 E98 I99 D134	S83-P85 WeakPolarHBondContact O-CD 3.13Å; S83-E98 WeakPolarHBondContact O-CA 3.27Å; S83-I99 PolarHBondContact N-O 3.32Å; S83-I99 PolarHBondContact O-N 3.49Å; S83-D134 WeakPolarHBondContact CB-OD2 3.47Å; S83-D134 PolarHBondContact OG-OD1 3.49Å; S83-D134 PolarHBondContact OG-OD2 3.38Å
84	D	93.7	Very high	90.4	Very high	116 Å²	116	67 Å²	67	62%	0.62	36%	0.362	S	S	*	.			trans	-96.2	101.2	167.9	-64.8	-39.9	0	0	0	106.9	E86	D84-E86 PolarHBondContact O-N 2.99Å
85	P	90.9	Very high	90.5	Very high	19 Å²	19	63.4 Å²	63.4	12%	0.123	35%	0.348	C	S	.	.			trans	-59.5	131.8	-174.7	-16.6	27.6	0	0	0	111	S83 F87 I96 H97 I99 L139	S83-P85 WeakPolarHBondContact O-CD 3.13Å; P85-F87 HydrophobicContact CB-CD1 4.1Å; P85-F87 HydrophobicContact CB-CD2 3.87Å; P85-F87 HydrophobicContact CB-CE1 3.89Å; P85-F87 HydrophobicContact CB-CE2 3.65Å; P85-F87 HydrophobicContact CB-CG 4.13Å; P85-F87 HydrophobicContact CB-CZ 3.68Å; P85-F87 HydrophobicContact CG-CE2 4.35Å; P85-F87 HydrophobicContact CG-CZ 4.4Å; P85-F87 PolarHBondContact O-N 3.27Å; P85-I96 HydrophobicContact CG-CG2 4Å; P85-H97 WeakPolarHBondContact CD-O 3.45Å; P85-I99 HydrophobicContact CG-CD1 4.09Å; P85-I99 HydrophobicContact CG-CG1 4.43Å; P85-L139 HydrophobicContact CB-CD1 3.75Å; P85-L139 HydrophobicContact CG-CD1 3.55Å
86	E	86.6	Confident	90.8	Very high	163 Å²	163	59.7 Å²	59.7	76%	0.762	33%	0.328	S	S	*	.	S	Bend	trans	-69.9	-15.4	177.2	-62.4	-170	168.6	0	0	112.3	D84	D84-E86 PolarHBondContact O-N 2.99Å
87	F	86.9	Confident	91	Very high	23 Å²	23	58.6 Å²	58.6	10%	0.101	32%	0.324	C	S	.	.	S	Bend	trans	-93.6	152.9	177.6	56	-106.8	0	0	0	113.9	P85 S89 E136 L139	P85-F87 HydrophobicContact CB-CD1 4.1Å; P85-F87 HydrophobicContact CB-CD2 3.87Å; P85-F87 HydrophobicContact CB-CE1 3.89Å; P85-F87 HydrophobicContact CB-CE2 3.65Å; P85-F87 HydrophobicContact CB-CG 4.13Å; P85-F87 HydrophobicContact CB-CZ 3.68Å; P85-F87 HydrophobicContact CG-CE2 4.35Å; P85-F87 HydrophobicContact CG-CZ 4.4Å; P85-F87 PolarHBondContact O-N 3.27Å; F87-S89 WeakPolarHBondContact CD2-OG 3.11Å; F87-S89 WeakPolarHBondContact CE2-OG 3.01Å; F87-S89 PolarHBondContact O-N 3.01Å; F87-E136 VanDerWaalsContact CD1-O 3.3Å; F87-E136 WeakPolarHBondContact CD1-O 3.37Å; F87-L139 HydrophobicContact CE1-CD1 4.25Å; F87-L139 HydrophobicContact CE1-CG 4Å; F87-L139 HydrophobicContact CZ-CD1 4.05Å; F87-L139 HydrophobicContact CZ-CG 4.1Å
88	S	86.3	Confident	91.3	Very high	102 Å²	102	60.6 Å²	60.6	71%	0.713	33%	0.333	S	S	*	.			trans	-95.5	90.9	174.8	60.4	0	0	0	0	111.9
89	S	91.1	Very high	91.7	Very high	7 Å²	7	54.2 Å²	54.2	5%	0.049	30%	0.299	C	S	.	.			trans	-111.5	168.2	173.4	-53.1	0	0	0	0	112.7	F87 Q95 I96 D163 S164 G166	F87-S89 WeakPolarHBondContact CD2-OG 3.11Å; F87-S89 WeakPolarHBondContact CE2-OG 3.01Å; F87-S89 PolarHBondContact O-N 3.01Å; S89-Q95 WeakPolarHBondContact O-CA 3.45Å; S89-I96 PolarHBondContact O-N 3.3Å; S89-D163 PolarHBondContact OG-O 3.47Å; S89-S164 PolarHBondContact OG-O 2.88Å; S89-G166 PolarHBondContact OG-N 2.99Å
90	S	91.8	Very high	92	Very high	48 Å²	48	53 Å²	53	34%	0.336	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.6	173.8	68.8	0	0	0	0	112.2	S94	S90-S94 CarbonylContact C-O 3.54Å; S90-S94 WeakPolarHBondContact CA-O 3.03Å; S90-S94 WeakPolarHBondContact CB-O 3.29Å
91	F	94	Very high	92.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.8	172.4	-169.2	-94	0	0	0	108.7	G93 S94 I96 V109 I115 I118 V168 I188 L189	F91-G93 PolarHBondContact O-N 3.44Å; F91-G93 VanDerWaalsContact O-N 3.08Å; F91-S94 PolarHBondContact N-O 3.36Å; F91-S94 PolarHBondContact O-N 3.49Å; F91-I96 HydrophobicContact CB-CD1 3.97Å; F91-I96 HydrophobicContact CB-CG1 3.89Å; F91-V109 HydrophobicContact CB-CG1 4.02Å; F91-V109 HydrophobicContact CD1-CB 4.44Å; F91-V109 HydrophobicContact CD1-CG1 4.44Å; F91-V109 HydrophobicContact CD2-CG2 4.48Å; F91-V109 HydrophobicContact CG-CG1 4.19Å; F91-V109 HydrophobicContact CG-CG2 4.45Å; F91-I115 HydrophobicContact CB-CD1 4.13Å; F91-I118 HydrophobicContact CE2-CD1 4.31Å; F91-I118 HydrophobicContact CE2-CG1 3.93Å; F91-I118 HydrophobicContact CZ-CG1 4.27Å; F91-V168 HydrophobicContact CD2-CG2 4.43Å; F91-V168 HydrophobicContact CE2-CG2 4.15Å; F91-I188 HydrophobicContact CE2-CB 4.4Å; F91-I188 HydrophobicContact CE2-CG2 4.41Å; F91-I188 HydrophobicContact CZ-CB 4.07Å; F91-I188 HydrophobicContact CZ-CG2 4.5Å; F91-L189 WeakPolarHBondContact CE1-O 3.15Å
92	Y	91.2	Very high	91.8	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.047	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	25.8	-172.2	-85.8	-98.4	0	0	0	115.1	K55 Y56 S94 I188 I192 H201 I203	K55-Y92 PolarHBondContact NZ-O 3.02Å; Y56-Y92 HydrophobicContact CD2-CE1 4.44Å; Y56-Y92 HydrophobicContact CD2-CE2 4.24Å; Y56-Y92 HydrophobicContact CE2-CD1 4.21Å; Y56-Y92 AromaticContact CE2-CD2 3.58Å; Y56-Y92 HydrophobicContact CE2-CD2 3.58Å; Y56-Y92 HydrophobicContact CE2-CE1 4.28Å; Y56-Y92 AromaticContact CE2-CE2 3.69Å; Y56-Y92 HydrophobicContact CE2-CE2 3.69Å; Y56-Y92 AromaticContact CE2-CG 3.88Å; Y56-Y92 HydrophobicContact CE2-CG 3.88Å; Y56-Y92 PolarHBondContact OH-N 3.16Å; Y92-S94 VanDerWaalsContact C-N 3.35Å; Y92-I188 HydrophobicContact CE2-CD1 4.08Å; Y92-I188 HydrophobicContact CE2-CG1 4.3Å; Y92-I192 HydrophobicContact CD1-CD1 4.37Å; Y92-H201 HydrophobicContact CE1-CB 4.01Å; Y92-H201 AromaticContact CE1-CG 3.99Å; Y92-H201 AromaticContact CE1-ND1 3.38Å; Y92-H201 WeakPolarHBondContact CE1-ND1 3.34Å; Y92-H201 AromaticContact CZ-ND1 3.59Å; Y92-H201 PolarHBondContact OH-ND1 2.97Å; Y92-H201 PolarHBondContact OH-O 3.47Å; Y92-I203 WeakPolarHBondContact OH-CD1 3.06Å
93	G	88	Confident	91.1	Very high	59 Å²	59	42.7 Å²	42.7	61%	0.608	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.7	2.2	-176	0	0	0	0	0	114.7	F91	F91-G93 PolarHBondContact O-N 3.44Å; F91-G93 VanDerWaalsContact O-N 3.08Å
94	S	90.1	Very high	90.3	Very high	33 Å²	33	47.3 Å²	47.3	23%	0.231	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.7	173.4	-76.6	0	0	0	0	110.8	S90 F91 Y92 I96	S90-S94 CarbonylContact C-O 3.54Å; S90-S94 WeakPolarHBondContact CA-O 3.03Å; S90-S94 WeakPolarHBondContact CB-O 3.29Å; F91-S94 PolarHBondContact N-O 3.36Å; F91-S94 PolarHBondContact O-N 3.49Å; Y92-S94 VanDerWaalsContact C-N 3.35Å; S94-I96 PolarHBondContact O-N 3.27Å
95	Q	92.3	Very high	89.7	Confident	88 Å²	88	43.5 Å²	43.5	41%	0.411	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135.4	177.1	-172.4	179.7	24.8	0	0	111.2	S89 H97 R111	S89-Q95 WeakPolarHBondContact O-CA 3.45Å; Q95-H97 PolarHBondContact OE1-NE2 2.88Å; Q95-H97 VanDerWaalsContact OE1-NE2 3.14Å; Q95-R111 VanDerWaalsContact O-CB 3.27Å; Q95-R111 WeakPolarHBondContact O-CB 3.47Å; Q95-R111 WeakPolarHBondContact O-CD 3.38Å; Q95-R111 WeakPolarHBondContact O-CG 3.23Å
96	I	94.5	Very high	89.4	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.031	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-81	130.1	173.9	-53.3	177.7	0	0	0	108.8	P85 S89 F91 S94 I99 V109 I162	P85-I96 HydrophobicContact CG-CG2 4Å; S89-I96 PolarHBondContact O-N 3.3Å; F91-I96 HydrophobicContact CB-CD1 3.97Å; F91-I96 HydrophobicContact CB-CG1 3.89Å; S94-I96 PolarHBondContact O-N 3.27Å; I96-I99 HydrophobicContact CG2-CD1 4.04Å; I96-I99 HydrophobicContact CG2-CG1 3.81Å; I96-V109 HydrophobicContact CB-CG1 4.38Å; I96-V109 HydrophobicContact CD1-CG1 4.13Å; I96-V109 HydrophobicContact CG1-CG1 3.84Å; I96-V109 HydrophobicContact CG2-CG1 3.89Å; I96-I162 HydrophobicContact CD1-CD1 3.41Å; I96-I162 VanDerWaalsContact CD1-CD1 3.41Å
97	H	94.9	Very high	89.8	Confident	87 Å²	87	38.1 Å²	38.1	40%	0.403	22%	0.218	S	C	.	.			trans	-113.1	-37.6	172.5	-67.1	168.4	0	0	0	112.2	P85 Q95 F110	P85-H97 WeakPolarHBondContact CD-O 3.45Å; Q95-H97 PolarHBondContact OE1-NE2 2.88Å; Q95-H97 VanDerWaalsContact OE1-NE2 3.14Å; H97-F110 PolarHBondContact N-O 3.45Å
98	E	95.5	Very high	90.2	Very high	50 Å²	50	38.5 Å²	38.5	23%	0.234	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.9	-179.9	178.9	-170.2	94.9	0	0	109.1	R82 S83 F110	R82-E98 HydrophobicContact CB-CG 4.41Å; R82-E98 WeakPolarHBondContact CD-OE2 3.39Å; R82-E98 IonicContact NE-OE1 3.87Å; S83-E98 WeakPolarHBondContact O-CA 3.27Å; E98-F110 HydrophobicContact CB-CB 4.15Å; E98-F110 PolarHBondContact N-O 2.99Å; E98-F110 PolarHBondContact O-N 2.95Å
99	I	95.5	Very high	90.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.3	166.5	-67.6	167	0	0	0	108.5	R82 S83 P85 I96 F101 M107 L108 V109 L139 I162	R82-I99 WeakPolarHBondContact CA-O 3.48Å; S83-I99 PolarHBondContact N-O 3.32Å; S83-I99 PolarHBondContact O-N 3.49Å; P85-I99 HydrophobicContact CG-CD1 4.09Å; P85-I99 HydrophobicContact CG-CG1 4.43Å; I96-I99 HydrophobicContact CG2-CD1 4.04Å; I96-I99 HydrophobicContact CG2-CG1 3.81Å; I99-F101 HydrophobicContact CG2-CD2 4.4Å; I99-F101 HydrophobicContact CG2-CE1 4.03Å; I99-F101 HydrophobicContact CG2-CE2 3.88Å; I99-F101 HydrophobicContact CG2-CZ 3.68Å; I99-M107 HydrophobicContact CD1-CE 4.47Å; I99-M107 HydrophobicContact CG2-CE 3.75Å; I99-M107 HydrophobicContact CG2-CG 4.08Å; I99-L108 WeakPolarHBondContact CA-O 3.28Å; I99-V109 HydrophobicContact CG1-CG1 4.45Å; I99-L139 HydrophobicContact CD1-CD1 3.91Å; I99-I162 HydrophobicContact CD1-CD1 4.35Å; I99-I162 HydrophobicContact CD1-CG2 3.62Å
100	A	95.2	Very high	90.8	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.4	175.9	0	0	0	0	0	111.3	V80 Y81 R82 M107 L108 F110	V80-A100 HydrophobicContact CG1-CB 4.1Å; Y81-A100 CarbonylContact O-C 3.44Å; Y81-A100 WeakPolarHBondContact O-CA 3.44Å; R82-A100 HydrophobicContact CG-CB 4.06Å; A100-M107 CarbonylContact O-C 3.5Å; A100-M107 WeakPolarHBondContact O-CA 3.36Å; A100-L108 HydrophobicContact CB-CB 4.48Å; A100-L108 PolarHBondContact N-O 2.9Å; A100-L108 PolarHBondContact O-N 2.85Å; A100-F110 HydrophobicContact CB-CE2 3.76Å
101	F	93.3	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.5	173.7	-52.4	-85.5	0	0	0	109.3	I77 V80 Y81 I99 M107 V132 L139 V141	I77-F101 HydrophobicContact CD1-CB 3.71Å; V80-F101 WeakPolarHBondContact CA-O 3.41Å; Y81-F101 AromaticContact CD1-CD2 3.89Å; Y81-F101 HydrophobicContact CD1-CD2 3.89Å; Y81-F101 HydrophobicContact CD1-CE2 4.31Å; Y81-F101 PolarHBondContact N-O 3.26Å; Y81-F101 PolarHBondContact O-N 2.84Å; I99-F101 HydrophobicContact CG2-CD2 4.4Å; I99-F101 HydrophobicContact CG2-CE1 4.03Å; I99-F101 HydrophobicContact CG2-CE2 3.88Å; I99-F101 HydrophobicContact CG2-CZ 3.68Å; F101-M107 HydrophobicContact CD1-CB 4.34Å; F101-M107 HydrophobicContact CD1-CE 4.44Å; F101-M107 HydrophobicContact CD1-CG 3.8Å; F101-M107 HydrophobicContact CD1-SD 4.11Å; F101-M107 HydrophobicContact CE1-CE 3.49Å; F101-M107 VanDerWaalsContact CE1-CE 3.49Å; F101-M107 HydrophobicContact CE1-CG 3.79Å; F101-M107 HydrophobicContact CE1-SD 3.61Å; F101-M107 HydrophobicContact CZ-CE 3.95Å; F101-V132 HydrophobicContact CD2-CG1 4.48Å; F101-V132 HydrophobicContact CD2-CG2 4.36Å; F101-V132 HydrophobicContact CE2-CG1 4.24Å; F101-L139 HydrophobicContact CZ-CB 4.45Å; F101-V141 HydrophobicContact CD1-CB 3.61Å; F101-V141 HydrophobicContact CD1-CG1 3.62Å; F101-V141 HydrophobicContact CD1-CG2 4.43Å; F101-V141 HydrophobicContact CE1-CB 3.88Å; F101-V141 HydrophobicContact CE1-CG1 3.91Å; F101-V141 HydrophobicContact CG-CB 4.37Å
102	N	88.3	Confident	90.6	Very high	44 Å²	44	41.9 Å²	41.9	24%	0.235	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	144	171.2	-166.7	-46.1	0	0	0	110	H104 H106 R143	N102-H104 PolarHBondContact O-N 3.46Å; N102-H104 PolarHBondContact OD1-CD2 3.5Å; N102-H104 VanDerWaalsContact OD1-CD2 3.3Å; N102-H104 PolarHBondContact OD1-N 2.93Å; N102-H106 HydrophobicContact CB-CB 4.03Å; N102-H106 PolarHBondContact N-O 2.86Å; N102-R143 PolarHBondContact O-NH2 3.11Å
103	V	79.6	Confident	90.6	Very high	29 Å²	29	47.5 Å²	47.5	18%	0.176	26%	0.259	C	S	.	.	S	Bend	trans	-55.4	-34.6	173.9	66.9	0	0	0	0	112.5	G79 T128	G79-V103 WeakPolarHBondContact O-CB 3.14Å; G79-V103 PolarHBondContact O-N 3.32Å; V103-T128 HydrophobicContact CG2-CG2 4.49Å; V103-T128 WeakPolarHBondContact O-CG2 3.31Å
104	H	75.6	Confident	90.9	Very high	102 Å²	102	47.9 Å²	47.9	47%	0.472	25%	0.245	S	C	.	.	S	Bend	trans	-70.6	-66.8	-176.9	-66.9	-72.8	0	0	0	111.7	N102 Y125	N102-H104 PolarHBondContact O-N 3.46Å; N102-H104 PolarHBondContact OD1-CD2 3.5Å; N102-H104 VanDerWaalsContact OD1-CD2 3.3Å; N102-H104 PolarHBondContact OD1-N 2.93Å; H104-Y125 WeakPolarHBondContact CA-OH 3.37Å; H104-Y125 WeakPolarHBondContact CB-OH 3.27Å; H104-Y125 PolarHBondContact ND1-OH 3.42Å; H104-Y125 PolarHBondContact O-OH 3.25Å
105	H	82.9	Confident	91.1	Very high	37 Å²	37	46.5 Å²	46.5	17%	0.171	24%	0.235	C	C	.	.	S	Bend	trans	-167.1	-18.1	178.8	35	103.6	0	0	0	114.7	M107 Y121 Y125 R143	H105-M107 PolarHBondContact O-N 3.42Å; H105-Y121 HydrophobicContact CB-CD1 3.94Å; H105-Y121 HydrophobicContact CB-CD2 4.22Å; H105-Y121 HydrophobicContact CB-CG 3.59Å; H105-Y121 AromaticContact CG-CG 3.86Å; H105-Y121 AromaticContact ND1-CD1 3.88Å; H105-Y121 AromaticContact ND1-CE1 3.94Å; H105-Y121 AromaticContact ND1-CG 3.94Å; H105-Y125 AromaticContact CD2-CE1 3.87Å; H105-Y125 PolarHBondContact CD2-OH 3.45Å; H105-R143 PolarHBondContact O-NH1 3.45Å; H105-R143 PolarHBondContact O-NH2 2.84Å; H105-R143 VanDerWaalsContact O-NH2 3.12Å
106	H	84.5	Confident	91.3	Very high	69 Å²	69	42.3 Å²	42.3	32%	0.319	22%	0.216	S	C	.	.			trans	-74.2	127.5	-169.9	-60.9	-160.4	0	0	0	110.3	N102 L108 E117 R143	N102-H106 HydrophobicContact CB-CB 4.03Å; N102-H106 PolarHBondContact N-O 2.86Å; H106-L108 HydrophobicContact CB-CD2 3.88Å; H106-L108 HydrophobicContact CB-CG 3.98Å; H106-E117 IonicContact CD2-OE1 3.11Å; H106-E117 IonicContact CG-OE1 3.33Å; H106-R143 PolarHBondContact O-NH2 3.24Å
107	M	93.7	Very high	91.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	99.2	164.6	179.3	179.3	176.8	0	0	107.4	I99 A100 F101 H105 E117 I118 I162	I99-M107 HydrophobicContact CD1-CE 4.47Å; I99-M107 HydrophobicContact CG2-CE 3.75Å; I99-M107 HydrophobicContact CG2-CG 4.08Å; A100-M107 CarbonylContact O-C 3.5Å; A100-M107 WeakPolarHBondContact O-CA 3.36Å; F101-M107 HydrophobicContact CD1-CB 4.34Å; F101-M107 HydrophobicContact CD1-CE 4.44Å; F101-M107 HydrophobicContact CD1-CG 3.8Å; F101-M107 HydrophobicContact CD1-SD 4.11Å; F101-M107 HydrophobicContact CE1-CE 3.49Å; F101-M107 VanDerWaalsContact CE1-CE 3.49Å; F101-M107 HydrophobicContact CE1-CG 3.79Å; F101-M107 HydrophobicContact CE1-SD 3.61Å; F101-M107 HydrophobicContact CZ-CE 3.95Å; H105-M107 PolarHBondContact O-N 3.42Å; M107-E117 CarbonylContact O-C 3.6Å; M107-E117 WeakPolarHBondContact O-CA 3.19Å; M107-I118 HydrophobicContact CB-CB 4.12Å; M107-I118 WeakPolarHBondContact CB-O 3.49Å; M107-I118 HydrophobicContact CE-CD1 3.58Å; M107-I118 HydrophobicContact CG-CB 4.1Å; M107-I118 HydrophobicContact CG-CD1 4.44Å; M107-I118 PolarHBondContact O-N 3.42Å; M107-I118 HydrophobicContact SD-CB 3.82Å; M107-I118 HydrophobicContact SD-CD1 3.76Å; M107-I118 HydrophobicContact SD-CG1 4.37Å; M107-I118 HydrophobicContact SD-CG2 4.01Å; M107-I162 HydrophobicContact CE-CB 4.49Å; M107-I162 HydrophobicContact CE-CG2 3.81Å
108	L	95.7	Very high	91.5	Very high	30 Å²	30	39.3 Å²	39.3	16%	0.157	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.3	-171	-56.6	-178.9	0	0	0	110.3	I99 A100 H106 F110 E117	I99-L108 WeakPolarHBondContact CA-O 3.28Å; A100-L108 HydrophobicContact CB-CB 4.48Å; A100-L108 PolarHBondContact N-O 2.9Å; A100-L108 PolarHBondContact O-N 2.85Å; H106-L108 HydrophobicContact CB-CD2 3.88Å; H106-L108 HydrophobicContact CB-CG 3.98Å; L108-F110 HydrophobicContact CB-CD2 4.33Å; L108-F110 HydrophobicContact CB-CE2 3.36Å; L108-F110 HydrophobicContact CB-CZ 3.62Å; L108-F110 HydrophobicContact CD1-CE2 4.4Å; L108-F110 HydrophobicContact CD1-CZ 3.93Å; L108-F110 HydrophobicContact CG-CZ 4.44Å; L108-E117 HydrophobicContact CD2-CB 4.26Å; L108-E117 HydrophobicContact CD2-CG 4.08Å
109	V	95.6	Very high	91.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.2	-178.4	-169.8	0	0	0	0	109.3	F91 I96 I99 I115 G116 I118	F91-V109 HydrophobicContact CB-CG1 4.02Å; F91-V109 HydrophobicContact CD1-CB 4.44Å; F91-V109 HydrophobicContact CD1-CG1 4.44Å; F91-V109 HydrophobicContact CD2-CG2 4.48Å; F91-V109 HydrophobicContact CG-CG1 4.19Å; F91-V109 HydrophobicContact CG-CG2 4.45Å; I96-V109 HydrophobicContact CB-CG1 4.38Å; I96-V109 HydrophobicContact CD1-CG1 4.13Å; I96-V109 HydrophobicContact CG1-CG1 3.84Å; I96-V109 HydrophobicContact CG2-CG1 3.89Å; I99-V109 HydrophobicContact CG1-CG1 4.45Å; V109-I115 HydrophobicContact CB-CG1 4.16Å; V109-I115 HydrophobicContact CG1-CD1 3.93Å; V109-I115 HydrophobicContact CG1-CG1 3.92Å; V109-I115 VanDerWaalsContact O-CG1 3.29Å; V109-I115 WeakPolarHBondContact O-CG1 3.4Å; V109-I115 PolarHBondContact O-N 3.49Å; V109-G116 PolarHBondContact N-O 3.3Å; V109-G116 PolarHBondContact O-N 2.97Å; V109-I118 HydrophobicContact CG2-CD1 4.39Å; V109-I118 HydrophobicContact CG2-CG1 4.48Å
110	F	95.5	Very high	91.6	Very high	40 Å²	40	37.6 Å²	37.6	18%	0.175	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.5	-172.7	-60.3	-94.4	0	0	0	114	H97 E98 A100 L108 F113 Q114	H97-F110 PolarHBondContact N-O 3.45Å; E98-F110 HydrophobicContact CB-CB 4.15Å; E98-F110 PolarHBondContact N-O 2.99Å; E98-F110 PolarHBondContact O-N 2.95Å; A100-F110 HydrophobicContact CB-CE2 3.76Å; L108-F110 HydrophobicContact CB-CD2 4.33Å; L108-F110 HydrophobicContact CB-CE2 3.36Å; L108-F110 HydrophobicContact CB-CZ 3.62Å; L108-F110 HydrophobicContact CD1-CE2 4.4Å; L108-F110 HydrophobicContact CD1-CZ 3.93Å; L108-F110 HydrophobicContact CG-CZ 4.44Å; F110-F113 VanDerWaalsContact CA-O 3.3Å; F110-F113 WeakPolarHBondContact CA-O 3.22Å; F110-Q114 HydrophobicContact CD1-CB 3.96Å; F110-Q114 HydrophobicContact CE1-CB 3.7Å; F110-Q114 HydrophobicContact CE1-CG 4.18Å; F110-Q114 HydrophobicContact CZ-CB 4.47Å; F110-Q114 HydrophobicContact CZ-CG 4.49Å
111	R	91	Very high	91.6	Very high	111 Å²	111	39.5 Å²	39.5	42%	0.419	20%	0.201	S	C	.	.	S	Bend	trans	-132.9	50.8	166.7	-168.8	-173.9	173	-164.6	-2.5	109.8	Q95 F113 I115	Q95-R111 VanDerWaalsContact O-CB 3.27Å; Q95-R111 WeakPolarHBondContact O-CB 3.47Å; Q95-R111 WeakPolarHBondContact O-CD 3.38Å; Q95-R111 WeakPolarHBondContact O-CG 3.23Å; R111-F113 PolarHBondContact N-O 3.37Å; R111-F113 PolarHBondContact O-N 3.42Å; R111-I115 HydrophobicContact CB-CD1 4.37Å; R111-I115 HydrophobicContact CB-CG2 3.78Å
112	G	89.8	Confident	91.6	Very high	77 Å²	77	39.5 Å²	39.5	79%	0.794	20%	0.201	S	C	*	.	S	Bend	trans	84.3	-27.8	-167.2	0	0	0	0	0	114.4
113	F	91.5	Very high	91.9	Very high	130 Å²	130	40.6 Å²	40.6	57%	0.57	20%	0.204	S	C	*	.	S	Bend	trans	-130.6	165	163.2	59	-88.1	0	0	0	109.1	F110 R111 I115	F110-F113 VanDerWaalsContact CA-O 3.3Å; F110-F113 WeakPolarHBondContact CA-O 3.22Å; R111-F113 PolarHBondContact N-O 3.37Å; R111-F113 PolarHBondContact O-N 3.42Å; F113-I115 HydrophobicContact CD2-CG2 4.19Å; F113-I115 HydrophobicContact CE2-CG2 3.84Å; F113-I115 HydrophobicContact CZ-CG2 4.34Å; F113-I115 PolarHBondContact O-N 3.14Å
114	Q	94.2	Very high	92.4	Very high	67 Å²	67	45.4 Å²	45.4	31%	0.313	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122.5	-179.7	-169.4	-175.8	-23.7	0	0	109.9	F110 I191	F110-Q114 HydrophobicContact CD1-CB 3.96Å; F110-Q114 HydrophobicContact CE1-CB 3.7Å; F110-Q114 HydrophobicContact CE1-CG 4.18Å; F110-Q114 HydrophobicContact CZ-CB 4.47Å; F110-Q114 HydrophobicContact CZ-CG 4.49Å; Q114-I191 HydrophobicContact CB-CD1 4.17Å; Q114-I191 HydrophobicContact CG-CD1 3.73Å
115	I	94.6	Very high	93.2	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-11.7	178.1	59.8	165.9	0	0	0	112.5	F91 V109 R111 F113 I191	F91-I115 HydrophobicContact CB-CD1 4.13Å; V109-I115 HydrophobicContact CB-CG1 4.16Å; V109-I115 HydrophobicContact CG1-CD1 3.93Å; V109-I115 HydrophobicContact CG1-CG1 3.92Å; V109-I115 VanDerWaalsContact O-CG1 3.29Å; V109-I115 WeakPolarHBondContact O-CG1 3.4Å; V109-I115 PolarHBondContact O-N 3.49Å; R111-I115 HydrophobicContact CB-CD1 4.37Å; R111-I115 HydrophobicContact CB-CG2 3.78Å; F113-I115 HydrophobicContact CD2-CG2 4.19Å; F113-I115 HydrophobicContact CE2-CG2 3.84Å; F113-I115 HydrophobicContact CZ-CG2 4.34Å; F113-I115 PolarHBondContact O-N 3.14Å; I115-I191 PolarHBondContact O-N 3.28Å
116	G	95.8	Very high	93.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	-173.6	179.4	0	0	0	0	0	114.1	V109 L189	V109-G116 PolarHBondContact N-O 3.3Å; V109-G116 PolarHBondContact O-N 2.97Å; G116-L189 CarbonylContact C-O 3.59Å; G116-L189 WeakPolarHBondContact CA-O 3.41Å
117	E	96.3	Very high	94.2	Very high	30 Å²	30	48.4 Å²	48.4	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.2	-177.2	179.9	167.6	-164.8	0	0	110.4	H106 M107 L108 I119 L189	H106-E117 IonicContact CD2-OE1 3.11Å; H106-E117 IonicContact CG-OE1 3.33Å; M107-E117 CarbonylContact O-C 3.6Å; M107-E117 WeakPolarHBondContact O-CA 3.19Å; L108-E117 HydrophobicContact CD2-CB 4.26Å; L108-E117 HydrophobicContact CD2-CG 4.08Å; E117-I119 HydrophobicContact CG-CG1 3.97Å; E117-L189 HydrophobicContact CB-CB 4.4Å; E117-L189 PolarHBondContact N-O 3.02Å; E117-L189 PolarHBondContact O-N 2.9Å
118	I	97.2	Very high	94.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.1	167.1	-65.1	165.5	0	0	0	107.2	F91 M107 V109 V168 L170 I188	F91-I118 HydrophobicContact CE2-CD1 4.31Å; F91-I118 HydrophobicContact CE2-CG1 3.93Å; F91-I118 HydrophobicContact CZ-CG1 4.27Å; M107-I118 HydrophobicContact CB-CB 4.12Å; M107-I118 WeakPolarHBondContact CB-O 3.49Å; M107-I118 HydrophobicContact CE-CD1 3.58Å; M107-I118 HydrophobicContact CG-CB 4.1Å; M107-I118 HydrophobicContact CG-CD1 4.44Å; M107-I118 PolarHBondContact O-N 3.42Å; M107-I118 HydrophobicContact SD-CB 3.82Å; M107-I118 HydrophobicContact SD-CD1 3.76Å; M107-I118 HydrophobicContact SD-CG1 4.37Å; M107-I118 HydrophobicContact SD-CG2 4.01Å; V109-I118 HydrophobicContact CG2-CD1 4.39Å; V109-I118 HydrophobicContact CG2-CG1 4.48Å; I118-V168 HydrophobicContact CD1-CG1 3.89Å; I118-V168 HydrophobicContact CD1-CG2 3.84Å; I118-V168 HydrophobicContact CG1-CG1 4.1Å; I118-V168 HydrophobicContact CG1-CG2 4.36Å; I118-V168 HydrophobicContact CG2-CG1 3.95Å; I118-L170 HydrophobicContact CG2-CD2 3.66Å; I118-I188 HydrophobicContact CG1-CG2 4.23Å
119	I	96.4	Very high	94.1	Very high	13 Å²	13	50.5 Å²	50.5	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.3	-172.3	-58.6	172.9	0	0	0	107.6	E117 Y121 K185 S186 G187 L189 E202	E117-I119 HydrophobicContact CG-CG1 3.97Å; I119-Y121 HydrophobicContact CG2-CD1 3.86Å; I119-Y121 HydrophobicContact CG2-CE1 3.7Å; I119-K185 HydrophobicContact CG2-CB 4.01Å; I119-S186 CarbonylContact O-C 3.58Å; I119-S186 VanDerWaalsContact O-CA 3.25Å; I119-S186 WeakPolarHBondContact O-CA 3.5Å; I119-G187 PolarHBondContact N-O 3.02Å; I119-G187 PolarHBondContact O-N 2.87Å; I119-G187 VanDerWaalsContact O-O 3.13Å; I119-L189 HydrophobicContact CD1-CB 4.06Å; I119-E202 HydrophobicContact CD1-CG 4.19Å
120	N	96.6	Very high	94.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	82.6	174.5	-153.6	19.2	0	0	0	110.9	M158 T159 S160 L170 Y172 K185 S186	N120-M158 WeakPolarHBondContact OD1-CE 3.42Å; N120-T159 PolarHBondContact ND2-O 3.21Å; N120-T159 VanDerWaalsContact ND2-O 3.13Å; N120-S160 WeakPolarHBondContact CB-OG 3.42Å; N120-S160 PolarHBondContact ND2-OG 3.38Å; N120-L170 HydrophobicContact CB-CD2 4.31Å; N120-Y172 WeakPolarHBondContact OD1-CE1 3.46Å; N120-K185 CarbonylContact C-O 3.58Å; N120-K185 WeakPolarHBondContact CA-O 3.34Å; N120-S186 PolarHBondContact OD1-OG 3.42Å
121	Y	95.3	Very high	94	Very high	45 Å²	45	52.5 Å²	52.5	18%	0.176	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	172.2	-174.9	74.3	-90.2	0	0	0	112.7	H105 I119 E123 K185	H105-Y121 HydrophobicContact CB-CD1 3.94Å; H105-Y121 HydrophobicContact CB-CD2 4.22Å; H105-Y121 HydrophobicContact CB-CG 3.59Å; H105-Y121 AromaticContact CG-CG 3.86Å; H105-Y121 AromaticContact ND1-CD1 3.88Å; H105-Y121 AromaticContact ND1-CE1 3.94Å; H105-Y121 AromaticContact ND1-CG 3.94Å; I119-Y121 HydrophobicContact CG2-CD1 3.86Å; I119-Y121 HydrophobicContact CG2-CE1 3.7Å; Y121-E123 HydrophobicContact CE2-CG 3.71Å; Y121-K185 HydrophobicContact CD1-CB 4.01Å; Y121-K185 HydrophobicContact CD2-CB 4.41Å; Y121-K185 HydrophobicContact CE1-CB 3.67Å; Y121-K185 HydrophobicContact CE1-CG 4.17Å; Y121-K185 HydrophobicContact CE2-CB 4.08Å; Y121-K185 HydrophobicContact CE2-CG 3.87Å; Y121-K185 HydrophobicContact CG-CB 4.36Å; Y121-K185 PolarHBondContact N-O 3.48Å; Y121-K185 PolarHBondContact O-N 2.91Å
122	I	94	Very high	94.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.8	175.3	-51.1	-171.1	0	0	0	108.8	Y125 F145 I147 A156 M158 I175 I179 Q183 L184	I122-Y125 WeakPolarHBondContact O-CD1 3.3Å; I122-F145 HydrophobicContact CG1-CD2 4.31Å; I122-I147 HydrophobicContact CB-CD1 4Å; I122-I147 HydrophobicContact CD1-CD1 3.82Å; I122-I147 HydrophobicContact CG1-CD1 4.49Å; I122-I147 HydrophobicContact CG2-CD1 3.59Å; I122-A156 HydrophobicContact CD1-CB 3.2Å; I122-M158 HydrophobicContact CD1-SD 4.17Å; I122-M158 HydrophobicContact CG1-SD 3.71Å; I122-I175 HydrophobicContact CD1-CD1 4.49Å; I122-I179 HydrophobicContact CD1-CD1 3.89Å; I122-I179 HydrophobicContact CG2-CG2 4.01Å; I122-Q183 CarbonylContact C-O 3.52Å; I122-Q183 WeakPolarHBondContact CA-O 3.08Å; I122-Q183 HydrophobicContact CG2-CB 3.91Å; I122-L184 HydrophobicContact CD1-CD2 3.7Å; I122-L184 HydrophobicContact CG1-CD2 3.88Å; I122-L184 HydrophobicContact CG2-CD2 4.38Å
123	E	93.5	Very high	94.5	Very high	68 Å²	68	43.7 Å²	43.7	32%	0.318	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	153.2	174.5	-70.7	179	169.5	0	0	112.1	Y121 Y125 Q183 K185	Y121-E123 HydrophobicContact CE2-CG 3.71Å; E123-Y125 PolarHBondContact O-N 2.91Å; E123-Q183 HydrophobicContact CB-CB 4.33Å; E123-Q183 PolarHBondContact N-O 3.1Å; E123-Q183 PolarHBondContact O-NE2 3.24Å; E123-Q183 VanDerWaalsContact O-NE2 3.08Å; E123-K185 HydrophobicContact CG-CG 4.18Å; E123-K185 WeakPolarHBondContact OE1-CE 3.44Å; E123-K185 IonicContact OE1-NZ 3.71Å; E123-K185 IonicContact OE2-NZ 3Å
124	N	90.8	Very high	94.6	Very high	130 Å²	130	40.5 Å²	40.5	70%	0.695	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	35.4	177.1	-50.6	-36.3	0	0	0	114.8
125	Y	93.1	Very high	94.6	Very high	47 Å²	47	40.9 Å²	40.9	18%	0.184	19%	0.191	C	C	.	.			trans	-78.1	148.9	170.3	69	-84.2	0	0	0	111.4	H104 H105 I122 E123 T128 F145	H104-Y125 WeakPolarHBondContact CA-OH 3.37Å; H104-Y125 WeakPolarHBondContact CB-OH 3.27Å; H104-Y125 PolarHBondContact ND1-OH 3.42Å; H104-Y125 PolarHBondContact O-OH 3.25Å; H105-Y125 AromaticContact CD2-CE1 3.87Å; H105-Y125 PolarHBondContact CD2-OH 3.45Å; I122-Y125 WeakPolarHBondContact O-CD1 3.3Å; E123-Y125 PolarHBondContact O-N 2.91Å; Y125-T128 HydrophobicContact CD2-CG2 4.38Å; Y125-T128 HydrophobicContact CE2-CG2 3.59Å; Y125-F145 HydrophobicContact CD1-CD1 4.13Å; Y125-F145 HydrophobicContact CD1-CE1 4.5Å; Y125-F145 HydrophobicContact CD2-CD1 4.2Å; Y125-F145 AromaticContact CG-CD1 3.92Å; Y125-F145 HydrophobicContact CG-CD1 3.92Å
126	E	93.5	Very high	94.5	Very high	116 Å²	116	47.2 Å²	47.2	54%	0.542	22%	0.22	S	C	.	.	S	Bend	trans	-87.3	-40.9	178	-64.8	-170.9	161.2	0	0	111.8	L146 N148	E126-L146 PolarHBondContact N-O 3.34Å; E126-N148 HydrophobicContact CG-CB 4.29Å; E126-N148 WeakPolarHBondContact OE1-CB 3.21Å; E126-N148 PolarHBondContact OE1-ND2 3Å
127	K	93.4	Very high	94.4	Very high	107 Å²	107	53.7 Å²	53.7	47%	0.465	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.5	-179	-174.2	-176.6	169.5	-155.2	0	110.3	E129 L146	K127-E129 IonicContact NZ-OE1 3.59Å; K127-E129 PolarHBondContact NZ-OE1 2.87Å; K127-L146 HydrophobicContact CB-CB 3.98Å; K127-L146 HydrophobicContact CB-CD2 4.14Å; K127-L146 PolarHBondContact N-O 2.96Å; K127-L146 PolarHBondContact O-N 3.3Å
128	T	93.9	Very high	94.3	Very high	21 Å²	21	53.6 Å²	53.6	13%	0.129	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.3	174.3	-178.7	0	0	0	0	110.5	V103 Y125 D144	V103-T128 HydrophobicContact CG2-CG2 4.49Å; V103-T128 WeakPolarHBondContact O-CG2 3.31Å; Y125-T128 HydrophobicContact CD2-CG2 4.38Å; Y125-T128 HydrophobicContact CE2-CG2 3.59Å; T128-D144 CarbonylContact C-O 3.56Å; T128-D144 VanDerWaalsContact CA-O 3.3Å; T128-D144 WeakPolarHBondContact CA-O 3.49Å
129	E	93.7	Very high	94.2	Very high	53 Å²	53	53.6 Å²	53.6	25%	0.248	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.6	166.6	-65	-167	176.5	0	0	109.4	K127 R131 R143 D144	K127-E129 IonicContact NZ-OE1 3.59Å; K127-E129 PolarHBondContact NZ-OE1 2.87Å; E129-R131 IonicContact OE2-NH2 2.82Å; E129-R131 PolarHBondContact OE2-NH2 3.03Å; E129-R143 WeakPolarHBondContact O-CA 3.36Å; E129-D144 PolarHBondContact N-O 3.04Å; E129-D144 PolarHBondContact O-N 3.14Å
130	S	95.3	Very high	94.2	Very high	1 Å²	1	53 Å²	53	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.5	-179.5	-66.7	0	0	0	0	110.7	K76 I77 K142 R143	K76-S130 WeakPolarHBondContact CA-O 3.24Å; I77-S130 PolarHBondContact N-O 3.38Å; S130-K142 CarbonylContact C-O 3.57Å; S130-K142 WeakPolarHBondContact CA-O 3.37Å; S130-R143 WeakPolarHBondContact OG-CG 3.4Å
131	R	95.3	Very high	94.1	Very high	81 Å²	81	53 Å²	53	31%	0.306	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.6	173.5	-63.2	-178	-177.2	78	8.2	110.9	F73 N75 E129 V141 K142 D144	F73-R131 HydrophobicContact CB-CB 3.79Å; F73-R131 WeakPolarHBondContact CD1-O 3.39Å; N75-R131 CarbonylContact O-C 3.55Å; N75-R131 VanDerWaalsContact O-CA 3.22Å; N75-R131 WeakPolarHBondContact O-CA 3.34Å; E129-R131 IonicContact OE2-NH2 2.82Å; E129-R131 PolarHBondContact OE2-NH2 3.03Å; R131-V141 CarbonylContact O-C 3.57Å; R131-V141 WeakPolarHBondContact O-CA 3.1Å; R131-K142 PolarHBondContact N-O 3.03Å; R131-K142 PolarHBondContact O-N 2.9Å; R131-D144 IonicContact NH1-OD2 2.82Å; R131-D144 PolarHBondContact NH1-OD2 3.4Å; R131-D144 VanDerWaalsContact NH1-OD2 3.11Å
132	V	95.4	Very high	94.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	142.3	-176.4	-178.9	0	0	0	0	111.4	F73 K74 N75 I77 Y81 F101 D134 G140	F73-V132 CarbonylContact C-O 3.54Å; F73-V132 WeakPolarHBondContact CA-O 3.04Å; K74-V132 PolarHBondContact N-O 3.47Å; N75-V132 PolarHBondContact O-N 3.46Å; I77-V132 HydrophobicContact CD1-CG2 3.19Å; I77-V132 HydrophobicContact CG1-CG2 3.38Å; Y81-V132 HydrophobicContact CD1-CG1 4.04Å; Y81-V132 HydrophobicContact CD1-CG2 4.18Å; Y81-V132 HydrophobicContact CD2-CG2 4.37Å; Y81-V132 HydrophobicContact CE1-CG1 3.84Å; Y81-V132 HydrophobicContact CG-CG2 4Å; F101-V132 HydrophobicContact CD2-CG1 4.48Å; F101-V132 HydrophobicContact CD2-CG2 4.36Å; F101-V132 HydrophobicContact CE2-CG1 4.24Å; V132-D134 HydrophobicContact CG1-CB 4.01Å; V132-G140 WeakPolarHBondContact CA-O 3.46Å
133	L	95.2	Very high	94.3	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.3	159	-176.4	160.5	0	0	0	107.1	V68 R72 F73 E135 L138 L139 G140	V68-L133 HydrophobicContact CG1-CD1 3.6Å; R72-L133 HydrophobicContact CB-CD1 3.67Å; R72-L133 HydrophobicContact CB-CG 4.44Å; F73-L133 HydrophobicContact CD1-CB 3.66Å; F73-L133 HydrophobicContact CE1-CB 3.68Å; F73-L133 HydrophobicContact CE1-CD1 4.46Å; F73-L133 HydrophobicContact CE2-CD1 4.39Å; F73-L133 HydrophobicContact CG-CB 4.26Å; F73-L133 HydrophobicContact CZ-CB 4.3Å; F73-L133 HydrophobicContact CZ-CD1 4.26Å; L133-E135 HydrophobicContact CD2-CB 4.15Å; L133-E135 HydrophobicContact CD2-CG 3.92Å; L133-E135 HydrophobicContact CG-CG 4.34Å; L133-L138 HydrophobicContact CD1-CD2 4.29Å; L133-L138 HydrophobicContact CD2-CB 4.06Å; L133-L138 HydrophobicContact CD2-CD2 4.07Å; L133-L138 HydrophobicContact CD2-CG 3.92Å; L133-L138 WeakPolarHBondContact CD2-O 3.44Å; L133-L139 CarbonylContact O-C 3.55Å; L133-L139 WeakPolarHBondContact O-CA 3.49Å; L133-G140 PolarHBondContact N-O 3.33Å; L133-G140 PolarHBondContact O-N 2.88Å
134	D	94.2	Very high	94.4	Very high	62 Å²	62	50.7 Å²	50.7	33%	0.332	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	93.9	-178.9	-169.1	-6.4	0	0	0	108.3	Y81 S83 V132 L139	Y81-D134 HydrophobicContact CE1-CB 4.31Å; Y81-D134 WeakPolarHBondContact CE1-OD2 3.46Å; Y81-D134 VanDerWaalsContact CZ-OD2 3.31Å; Y81-D134 PolarHBondContact OH-OD2 2.84Å; S83-D134 WeakPolarHBondContact CB-OD2 3.47Å; S83-D134 PolarHBondContact OG-OD1 3.49Å; S83-D134 PolarHBondContact OG-OD2 3.38Å; V132-D134 HydrophobicContact CG1-CB 4.01Å; D134-L139 HydrophobicContact CB-CD2 4.1Å; D134-L139 WeakPolarHBondContact OD1-CD2 3.26Å
135	E	93.7	Very high	94.6	Very high	75 Å²	75	44.5 Å²	44.5	35%	0.35	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.6	-176	-62.8	-174.2	-150.7	0	0	110.8	R72 L133 E137 L138	R72-E135 IonicContact CZ-OE1 3.67Å; R72-E135 VanDerWaalsContact CZ-OE1 3.31Å; R72-E135 IonicContact CZ-OE2 3.8Å; R72-E135 IonicContact NE-OE1 2.61Å; R72-E135 PolarHBondContact NE-OE1 2.94Å; R72-E135 IonicContact NE-OE2 3.31Å; R72-E135 IonicContact NH2-OE1 3.5Å; R72-E135 PolarHBondContact NH2-OE1 3.17Å; R72-E135 IonicContact NH2-OE2 3.44Å; R72-E135 PolarHBondContact NH2-OE2 3.28Å; L133-E135 HydrophobicContact CD2-CB 4.15Å; L133-E135 HydrophobicContact CD2-CG 3.92Å; L133-E135 HydrophobicContact CG-CG 4.34Å; E135-E137 PolarHBondContact O-N 3.38Å; E135-L138 PolarHBondContact N-O 2.88Å; E135-L138 CarbonylContact O-C 3.52Å; E135-L138 PolarHBondContact O-N 2.88Å; E135-L138 VanDerWaalsContact O-N 3.13Å
136	E	91.9	Very high	94.7	Very high	137 Å²	137	43.9 Å²	43.9	64%	0.64	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.7	-171	-177.8	177.2	-176.8	0	0	114.7	F87	F87-E136 VanDerWaalsContact CD1-O 3.3Å; F87-E136 WeakPolarHBondContact CD1-O 3.37Å
137	E	93.1	Very high	94.8	Very high	137 Å²	137	38.5 Å²	38.5	64%	0.64	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-1	-178.7	-63.3	-170.9	158.3	0	0	113.8	E135 D163 S164	E135-E137 PolarHBondContact O-N 3.38Å; E137-D163 CarbonylContact O-C 3.52Å; E137-D163 WeakPolarHBondContact O-CA 3.46Å; E137-S164 PolarHBondContact O-N 3.42Å
138	L	95	Very high	94.8	Very high	27 Å²	27	37 Å²	37	14%	0.141	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	127.9	-170	-170.4	67.7	0	0	0	111.2	V68 L133 E135 L161 D163	V68-L138 HydrophobicContact CG2-CD2 3.68Å; L133-L138 HydrophobicContact CD1-CD2 4.29Å; L133-L138 HydrophobicContact CD2-CB 4.06Å; L133-L138 HydrophobicContact CD2-CD2 4.07Å; L133-L138 HydrophobicContact CD2-CG 3.92Å; L133-L138 WeakPolarHBondContact CD2-O 3.44Å; E135-L138 PolarHBondContact N-O 2.88Å; E135-L138 CarbonylContact O-C 3.52Å; E135-L138 PolarHBondContact O-N 2.88Å; E135-L138 VanDerWaalsContact O-N 3.13Å; L138-L161 HydrophobicContact CD1-CB 4.33Å; L138-L161 HydrophobicContact CD2-CD2 4.48Å; L138-L161 HydrophobicContact CG-CD2 4.47Å; L138-D163 HydrophobicContact CD1-CB 3.9Å
139	L	95.3	Very high	94.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.8	172.8	-59.8	179.4	0	0	0	109.9	P85 F87 I99 F101 L133 D134 L161 I162	P85-L139 HydrophobicContact CB-CD1 3.75Å; P85-L139 HydrophobicContact CG-CD1 3.55Å; F87-L139 HydrophobicContact CE1-CD1 4.25Å; F87-L139 HydrophobicContact CE1-CG 4Å; F87-L139 HydrophobicContact CZ-CD1 4.05Å; F87-L139 HydrophobicContact CZ-CG 4.1Å; I99-L139 HydrophobicContact CD1-CD1 3.91Å; F101-L139 HydrophobicContact CZ-CB 4.45Å; L133-L139 CarbonylContact O-C 3.55Å; L133-L139 WeakPolarHBondContact O-CA 3.49Å; D134-L139 HydrophobicContact CB-CD2 4.1Å; D134-L139 WeakPolarHBondContact OD1-CD2 3.26Å; L139-L161 CarbonylContact O-C 3.44Å; L139-L161 VanDerWaalsContact O-CA 3.32Å; L139-L161 WeakPolarHBondContact O-CA 3.49Å; L139-I162 HydrophobicContact CB-CG2 3.9Å; L139-I162 PolarHBondContact N-O 3.45Å; L139-I162 PolarHBondContact O-N 3.16Å
140	G	95.6	Very high	94.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	174.5	172.1	0	0	0	0	0	115.3	V132 L133 S160	V132-G140 WeakPolarHBondContact CA-O 3.46Å; L133-G140 PolarHBondContact N-O 3.33Å; L133-G140 PolarHBondContact O-N 2.88Å; G140-S160 CarbonylContact C-O 3.44Å; G140-S160 WeakPolarHBondContact CA-O 3.41Å
141	V	95.9	Very high	94	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.1	178.9	63.6	0	0	0	0	109.5	I77 F101 R131 R143 T159 S160	I77-V141 HydrophobicContact CD1-CG2 4.14Å; F101-V141 HydrophobicContact CD1-CB 3.61Å; F101-V141 HydrophobicContact CD1-CG1 3.62Å; F101-V141 HydrophobicContact CD1-CG2 4.43Å; F101-V141 HydrophobicContact CE1-CB 3.88Å; F101-V141 HydrophobicContact CE1-CG1 3.91Å; F101-V141 HydrophobicContact CG-CB 4.37Å; R131-V141 CarbonylContact O-C 3.57Å; R131-V141 WeakPolarHBondContact O-CA 3.1Å; V141-R143 HydrophobicContact CG2-CG 3.93Å; V141-T159 WeakPolarHBondContact O-CA 3.29Å; V141-S160 PolarHBondContact N-O 2.88Å; V141-S160 PolarHBondContact O-N 3.46Å
142	K	96	Very high	93.9	Very high	30 Å²	30	44.4 Å²	44.4	13%	0.13	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.8	168.3	179.7	176.3	-178.7	-173.6	0	108.4	S70 F73 S130 R131 T157	S70-K142 PolarHBondContact OG-NZ 3.12Å; F73-K142 HydrophobicContact CB-CB 4.38Å; F73-K142 HydrophobicContact CD1-CB 3.64Å; F73-K142 HydrophobicContact CD2-CB 4.16Å; F73-K142 HydrophobicContact CD2-CD 4.3Å; F73-K142 HydrophobicContact CE1-CB 3.86Å; F73-K142 HydrophobicContact CE2-CB 4.34Å; F73-K142 HydrophobicContact CG-CB 3.8Å; F73-K142 HydrophobicContact CZ-CB 4.2Å; S130-K142 CarbonylContact C-O 3.57Å; S130-K142 WeakPolarHBondContact CA-O 3.37Å; R131-K142 PolarHBondContact N-O 3.03Å; R131-K142 PolarHBondContact O-N 2.9Å; K142-T157 HydrophobicContact CD-CG2 4.31Å; K142-T157 HydrophobicContact CG-CG2 4.09Å
143	R	95.7	Very high	93.8	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.5	-176.9	-59	-165.2	172.8	108.9	-6.9	111	N102 H105 H106 E129 S130 V141 F145 T157 M158	N102-R143 PolarHBondContact O-NH2 3.11Å; H105-R143 PolarHBondContact O-NH1 3.45Å; H105-R143 PolarHBondContact O-NH2 2.84Å; H105-R143 VanDerWaalsContact O-NH2 3.12Å; H106-R143 PolarHBondContact O-NH2 3.24Å; E129-R143 WeakPolarHBondContact O-CA 3.36Å; S130-R143 WeakPolarHBondContact OG-CG 3.4Å; V141-R143 HydrophobicContact CG2-CG 3.93Å; R143-F145 HydrophobicContact CB-CD2 4.24Å; R143-F145 HydrophobicContact CB-CE2 3.55Å; R143-F145 HydrophobicContact CB-CZ 3.71Å; R143-F145 HydrophobicContact CG-CZ 4.31Å; R143-T157 CarbonylContact O-C 3.58Å; R143-T157 VanDerWaalsContact O-CA 3.27Å; R143-T157 WeakPolarHBondContact O-CA 3.36Å; R143-M158 PolarHBondContact N-O 3.44Å; R143-M158 PolarHBondContact O-N 3.38Å
144	D	95.7	Very high	93.8	Very high	33 Å²	33	51.7 Å²	51.7	18%	0.176	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.2	170.1	-60.4	-46	0	0	0	108.1	T128 E129 R131 T155 A156 T157	T128-D144 CarbonylContact C-O 3.56Å; T128-D144 VanDerWaalsContact CA-O 3.3Å; T128-D144 WeakPolarHBondContact CA-O 3.49Å; E129-D144 PolarHBondContact N-O 3.04Å; E129-D144 PolarHBondContact O-N 3.14Å; R131-D144 IonicContact NH1-OD2 2.82Å; R131-D144 PolarHBondContact NH1-OD2 3.4Å; R131-D144 VanDerWaalsContact NH1-OD2 3.11Å; D144-T155 HydrophobicContact CB-CG2 4.15Å; D144-A156 CarbonylContact C-O 3.53Å; D144-A156 WeakPolarHBondContact CA-O 3.49Å; D144-T157 WeakPolarHBondContact OD1-CB 3.24Å; D144-T157 WeakPolarHBondContact OD1-CG2 3.43Å; D144-T157 PolarHBondContact OD1-OG1 3.49Å
145	F	95.9	Very high	93.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	119	177.5	-59.9	-82.8	0	0	0	109.7	I122 Y125 R143 I147 T155 A156 M158	I122-F145 HydrophobicContact CG1-CD2 4.31Å; Y125-F145 HydrophobicContact CD1-CD1 4.13Å; Y125-F145 HydrophobicContact CD1-CE1 4.5Å; Y125-F145 HydrophobicContact CD2-CD1 4.2Å; Y125-F145 AromaticContact CG-CD1 3.92Å; Y125-F145 HydrophobicContact CG-CD1 3.92Å; R143-F145 HydrophobicContact CB-CD2 4.24Å; R143-F145 HydrophobicContact CB-CE2 3.55Å; R143-F145 HydrophobicContact CB-CZ 3.71Å; R143-F145 HydrophobicContact CG-CZ 4.31Å; F145-I147 HydrophobicContact CB-CD1 4.25Å; F145-I147 HydrophobicContact CB-CG1 4.36Å; F145-T155 CarbonylContact O-C 3.56Å; F145-T155 VanDerWaalsContact O-CA 3.3Å; F145-T155 WeakPolarHBondContact O-CA 3.29Å; F145-A156 PolarHBondContact N-O 3.03Å; F145-A156 PolarHBondContact O-N 3.38Å; F145-M158 HydrophobicContact CD2-CG 4.5Å; F145-M158 HydrophobicContact CD2-SD 4.37Å; F145-M158 HydrophobicContact CE2-CB 4.35Å; F145-M158 HydrophobicContact CE2-CG 4.29Å; F145-M158 HydrophobicContact CE2-SD 4.01Å
146	L	96	Very high	94.1	Very high	34 Å²	34	48 Å²	48	18%	0.178	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.8	172	-162.3	63.8	0	0	0	109.2	E126 K127 E153	E126-L146 PolarHBondContact N-O 3.34Å; K127-L146 HydrophobicContact CB-CB 3.98Å; K127-L146 HydrophobicContact CB-CD2 4.14Å; K127-L146 PolarHBondContact N-O 2.96Å; K127-L146 PolarHBondContact O-N 3.3Å; L146-E153 VanDerWaalsContact CD1-CD 3.49Å; L146-E153 HydrophobicContact CD1-CG 3.35Å; L146-E153 WeakPolarHBondContact CD1-OE1 3.5Å; L146-E153 HydrophobicContact CD2-CG 4.14Å; L146-E153 HydrophobicContact CG-CG 3.63Å
147	I	94.5	Very high	94.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.8	-173.1	-56.4	159.1	0	0	0	108.2	I122 F145 V149 V154 A156 I179	I122-I147 HydrophobicContact CB-CD1 4Å; I122-I147 HydrophobicContact CD1-CD1 3.82Å; I122-I147 HydrophobicContact CG1-CD1 4.49Å; I122-I147 HydrophobicContact CG2-CD1 3.59Å; F145-I147 HydrophobicContact CB-CD1 4.25Å; F145-I147 HydrophobicContact CB-CG1 4.36Å; I147-V149 HydrophobicContact CG2-CG2 3.86Å; I147-V154 HydrophobicContact CB-CG2 4.26Å; I147-V154 PolarHBondContact N-O 2.86Å; I147-V154 WeakPolarHBondContact O-CG2 3.43Å; I147-V154 PolarHBondContact O-N 2.87Å; I147-A156 HydrophobicContact CD1-CB 4.28Å; I147-I179 HydrophobicContact CD1-CD1 3.56Å; I147-I179 HydrophobicContact CD1-CG1 4.27Å
148	N	92.8	Very high	94.5	Very high	75 Å²	75	35.7 Å²	35.7	40%	0.401	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.8	172.9	-173.5	-22.7	0	0	0	109.6	E126 G151	E126-N148 HydrophobicContact CG-CB 4.29Å; E126-N148 WeakPolarHBondContact OE1-CB 3.21Å; E126-N148 PolarHBondContact OE1-ND2 3Å; N148-G151 WeakPolarHBondContact OD1-CA 3.39Å; N148-G151 PolarHBondContact OD1-N 3.48Å
149	V	89.9	Confident	94.6	Very high	21 Å²	21	34.6 Å²	34.6	13%	0.127	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113	177.1	-174.4	0	0	0	0	108.6	I147 G151 A152 V154 E178 I179	I147-V149 HydrophobicContact CG2-CG2 3.86Å; V149-G151 PolarHBondContact O-N 3Å; V149-G151 VanDerWaalsContact O-N 3.15Å; V149-A152 PolarHBondContact N-O 3.2Å; V149-A152 PolarHBondContact O-N 3.35Å; V149-V154 HydrophobicContact CG2-CG2 3.83Å; V149-E178 HydrophobicContact CB-CB 4.34Å; V149-E178 HydrophobicContact CG1-CB 3.9Å; V149-I179 HydrophobicContact CG2-CG1 4.38Å
150	N	88.7	Confident	94.7	Very high	171 Å²	171	34.6 Å²	34.6	91%	0.914	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	35.3	177.9	-60.1	-32.3	0	0	0	114.1	A152	N150-A152 VanDerWaalsContact C-N 3.33Å
151	G	88.7	Confident	94.8	Very high	67 Å²	67	34.9 Å²	34.9	69%	0.691	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	86	-1.4	-179.1	0	0	0	0	0	114.7	N148 V149	N148-G151 WeakPolarHBondContact OD1-CA 3.39Å; N148-G151 PolarHBondContact OD1-N 3.48Å; V149-G151 PolarHBondContact O-N 3Å; V149-G151 VanDerWaalsContact O-N 3.15Å
152	A	92.1	Very high	94.8	Very high	54 Å²	54	34.8 Å²	34.8	45%	0.446	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.1	172.1	0	0	0	0	0	110.3	V149 N150 V154	V149-A152 PolarHBondContact N-O 3.2Å; V149-A152 PolarHBondContact O-N 3.35Å; N150-A152 VanDerWaalsContact C-N 3.33Å; A152-V154 PolarHBondContact O-N 3.33Å
153	E	93.5	Very high	94.8	Very high	130 Å²	130	34.2 Å²	34.2	61%	0.607	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.1	172.9	-171.3	180	94.7	0	0	109.5	L146	L146-E153 VanDerWaalsContact CD1-CD 3.49Å; L146-E153 HydrophobicContact CD1-CG 3.35Å; L146-E153 WeakPolarHBondContact CD1-OE1 3.5Å; L146-E153 HydrophobicContact CD2-CG 4.14Å; L146-E153 HydrophobicContact CG-CG 3.63Å
154	V	95.6	Very high	94.7	Very high	26 Å²	26	35.7 Å²	35.7	16%	0.158	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.8	176.2	-60.8	0	0	0	0	110	I147 V149 A152 P176 I179	I147-V154 HydrophobicContact CB-CG2 4.26Å; I147-V154 PolarHBondContact N-O 2.86Å; I147-V154 WeakPolarHBondContact O-CG2 3.43Å; I147-V154 PolarHBondContact O-N 2.87Å; V149-V154 HydrophobicContact CG2-CG2 3.83Å; A152-V154 PolarHBondContact O-N 3.33Å; V154-P176 HydrophobicContact CB-CB 4.16Å; V154-P176 HydrophobicContact CB-CG 3.92Å; V154-P176 HydrophobicContact CG2-CB 4.17Å; V154-P176 HydrophobicContact CG2-CG 4.07Å; V154-I179 HydrophobicContact CG2-CG1 4.45Å
155	T	96.8	Very high	94.5	Very high	59 Å²	59	40.4 Å²	40.4	36%	0.362	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.7	177	-52.3	0	0	0	0	109.7	D144 F145 N174 P176	D144-T155 HydrophobicContact CB-CG2 4.15Å; F145-T155 CarbonylContact O-C 3.56Å; F145-T155 VanDerWaalsContact O-CA 3.3Å; F145-T155 WeakPolarHBondContact O-CA 3.29Å; T155-N174 PolarHBondContact O-ND2 2.86Å; T155-P176 WeakPolarHBondContact O-CG 2.98Å
156	A	97.3	Very high	94.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	140	167.7	0	0	0	0	0	110.1	I122 D144 F145 I147 N174 I175 I179	I122-A156 HydrophobicContact CD1-CB 3.2Å; D144-A156 CarbonylContact C-O 3.53Å; D144-A156 WeakPolarHBondContact CA-O 3.49Å; F145-A156 PolarHBondContact N-O 3.03Å; F145-A156 PolarHBondContact O-N 3.38Å; I147-A156 HydrophobicContact CD1-CB 4.28Å; A156-N174 CarbonylContact C-O 3.6Å; A156-N174 WeakPolarHBondContact CA-O 3.41Å; A156-I175 HydrophobicContact CB-CD1 4.45Å; A156-I179 HydrophobicContact CB-CD1 3.84Å
157	T	97.2	Very high	94.3	Very high	15 Å²	15	42 Å²	42	9%	0.092	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.7	-179.1	-58.4	0	0	0	0	109.6	K142 R143 D144 D173 N174	K142-T157 HydrophobicContact CD-CG2 4.31Å; K142-T157 HydrophobicContact CG-CG2 4.09Å; R143-T157 CarbonylContact O-C 3.58Å; R143-T157 VanDerWaalsContact O-CA 3.27Å; R143-T157 WeakPolarHBondContact O-CA 3.36Å; D144-T157 WeakPolarHBondContact OD1-CB 3.24Å; D144-T157 WeakPolarHBondContact OD1-CG2 3.43Å; D144-T157 PolarHBondContact OD1-OG1 3.49Å; T157-D173 HydrophobicContact CG2-CB 3.56Å; T157-D173 PolarHBondContact O-N 3.09Å; T157-N174 PolarHBondContact N-O 3.05Å; T157-N174 PolarHBondContact O-N 2.79Å; T157-N174 VanDerWaalsContact O-N 3.13Å
158	M	97.3	Very high	94.5	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.4	-177.8	-53.4	178.1	91.4	0	0	109.9	N120 I122 R143 F145 Y172 I175 I210	N120-M158 WeakPolarHBondContact OD1-CE 3.42Å; I122-M158 HydrophobicContact CD1-SD 4.17Å; I122-M158 HydrophobicContact CG1-SD 3.71Å; R143-M158 PolarHBondContact N-O 3.44Å; R143-M158 PolarHBondContact O-N 3.38Å; F145-M158 HydrophobicContact CD2-CG 4.5Å; F145-M158 HydrophobicContact CD2-SD 4.37Å; F145-M158 HydrophobicContact CE2-CB 4.35Å; F145-M158 HydrophobicContact CE2-CG 4.29Å; F145-M158 HydrophobicContact CE2-SD 4.01Å; M158-Y172 HydrophobicContact CE-CD1 3.54Å; M158-Y172 HydrophobicContact CE-CE1 3.57Å; M158-Y172 HydrophobicContact CG-CD1 4.42Å; M158-I175 HydrophobicContact CE-CD1 4.23Å; M158-I175 HydrophobicContact CG-CD1 3.91Å; M158-I175 HydrophobicContact SD-CD1 4.36Å; M158-I210 HydrophobicContact CE-CG2 3.93Å
159	T	97.1	Very high	94.7	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.025	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133	-178.2	-60.4	0	0	0	0	110.1	F73 N120 V141 L161 L170 Y171 D173	F73-T159 HydrophobicContact CE1-CG2 4.1Å; F73-T159 HydrophobicContact CE2-CG2 4.24Å; F73-T159 HydrophobicContact CZ-CG2 3.48Å; F73-T159 VanDerWaalsContact CZ-CG2 3.48Å; N120-T159 PolarHBondContact ND2-O 3.21Å; N120-T159 VanDerWaalsContact ND2-O 3.13Å; V141-T159 WeakPolarHBondContact O-CA 3.29Å; T159-L161 HydrophobicContact CG2-CD2 4.28Å; T159-L161 HydrophobicContact CG2-CG 4.11Å; T159-L170 CarbonylContact O-C 3.58Å; T159-L170 WeakPolarHBondContact O-CA 3.49Å; T159-Y171 PolarHBondContact N-O 2.91Å; T159-Y171 PolarHBondContact O-N 2.83Å; T159-D173 PolarHBondContact OG1-OD2 3.38Å
160	S	97.2	Very high	95.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.4	173.5	-58.7	0	0	0	0	109.7	N120 G140 V141	N120-S160 WeakPolarHBondContact CB-OG 3.42Å; N120-S160 PolarHBondContact ND2-OG 3.38Å; G140-S160 CarbonylContact C-O 3.44Å; G140-S160 WeakPolarHBondContact CA-O 3.41Å; V141-S160 PolarHBondContact N-O 2.88Å; V141-S160 PolarHBondContact O-N 3.46Å
161	L	96.8	Very high	95.6	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.2	-179.2	-61.9	169.9	0	0	0	110.2	P67 V68 F73 L138 L139 T159 V168 S169	P67-L161 HydrophobicContact CB-CD1 4.11Å; P67-L161 HydrophobicContact CG-CD1 3.63Å; V68-L161 HydrophobicContact CB-CD1 4.45Å; V68-L161 HydrophobicContact CG2-CD1 3.58Å; V68-L161 HydrophobicContact CG2-CD2 4.28Å; F73-L161 HydrophobicContact CE1-CD2 4.28Å; F73-L161 HydrophobicContact CZ-CD2 3.87Å; L138-L161 HydrophobicContact CD1-CB 4.33Å; L138-L161 HydrophobicContact CD2-CD2 4.48Å; L138-L161 HydrophobicContact CG-CD2 4.47Å; L139-L161 CarbonylContact O-C 3.44Å; L139-L161 VanDerWaalsContact O-CA 3.32Å; L139-L161 WeakPolarHBondContact O-CA 3.49Å; T159-L161 HydrophobicContact CG2-CD2 4.28Å; T159-L161 HydrophobicContact CG2-CG 4.11Å; L161-V168 CarbonylContact O-C 3.57Å; L161-V168 WeakPolarHBondContact O-CA 3.4Å; L161-S169 PolarHBondContact N-O 3.4Å; L161-S169 PolarHBondContact O-N 2.9Å
162	I	96.4	Very high	96.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.3	165	-174.5	169.2	0	0	0	109.3	I96 I99 M107 L139 K167 V168	I96-I162 HydrophobicContact CD1-CD1 3.41Å; I96-I162 VanDerWaalsContact CD1-CD1 3.41Å; I99-I162 HydrophobicContact CD1-CD1 4.35Å; I99-I162 HydrophobicContact CD1-CG2 3.62Å; M107-I162 HydrophobicContact CE-CB 4.49Å; M107-I162 HydrophobicContact CE-CG2 3.81Å; L139-I162 HydrophobicContact CB-CG2 3.9Å; L139-I162 PolarHBondContact N-O 3.45Å; L139-I162 PolarHBondContact O-N 3.16Å; I162-K167 WeakPolarHBondContact CA-O 3.32Å; I162-V168 HydrophobicContact CD1-CG2 4.21Å; I162-V168 HydrophobicContact CG1-CG2 4.28Å
163	D	94.9	Very high	96.3	Very high	18 Å²	18	26 Å²	26	10%	0.096	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	174.1	179.8	75.2	12.8	0	0	0	112.8	S89 E137 L138 N165 G166 K167	S89-D163 PolarHBondContact OG-O 3.47Å; E137-D163 CarbonylContact O-C 3.52Å; E137-D163 WeakPolarHBondContact O-CA 3.46Å; L138-D163 HydrophobicContact CD1-CB 3.9Å; D163-N165 PolarHBondContact O-N 2.93Å; D163-N165 VanDerWaalsContact O-N 3.1Å; D163-N165 WeakPolarHBondContact OD1-CA 3.5Å; D163-N165 WeakPolarHBondContact OD1-CB 3.36Å; D163-N165 PolarHBondContact OD1-N 3.5Å; D163-G166 PolarHBondContact O-N 2.99Å; D163-G166 PolarHBondContact OD1-N 3.1Å; D163-K167 PolarHBondContact N-O 2.86Å; D163-K167 VanDerWaalsContact N-O 3.14Å; D163-K167 VanDerWaalsContact OD1-CB 3.31Å; D163-K167 WeakPolarHBondContact OD1-CB 3.37Å; D163-K167 PolarHBondContact OD1-N 3.33Å; D163-K167 WeakPolarHBondContact OD2-CB 3.36Å; D163-K167 VanDerWaalsContact OD2-CE 3.31Å; D163-K167 WeakPolarHBondContact OD2-CE 3.27Å; D163-K167 IonicContact OD2-NZ 2.7Å; D163-K167 PolarHBondContact OD2-NZ 2.84Å
164	S	94.3	Very high	96.5	Very high	33 Å²	33	23.3 Å²	23.3	23%	0.231	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.5	178.1	59.9	0	0	0	0	115.4	S89 E137	S89-S164 PolarHBondContact OG-O 2.88Å; E137-S164 PolarHBondContact O-N 3.42Å
165	N	91.2	Very high	96.6	Very high	132 Å²	132	22.7 Å²	22.7	71%	0.706	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.3	173.4	-58.9	-63	0	0	0	112.3	D163 K167	D163-N165 PolarHBondContact O-N 2.93Å; D163-N165 VanDerWaalsContact O-N 3.1Å; D163-N165 WeakPolarHBondContact OD1-CA 3.5Å; D163-N165 WeakPolarHBondContact OD1-CB 3.36Å; D163-N165 PolarHBondContact OD1-N 3.5Å; N165-K167 VanDerWaalsContact C-N 3.28Å
166	G	92.5	Very high	96.6	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.021	11%	0.112	C	C	.	.			trans	76.7	14.2	-174.2	0	0	0	0	0	113.6	S89 D163 V168	S89-G166 PolarHBondContact OG-N 2.99Å; D163-G166 PolarHBondContact O-N 2.99Å; D163-G166 PolarHBondContact OD1-N 3.1Å; G166-V168 PolarHBondContact O-N 3.37Å
167	K	95.7	Very high	96.4	Very high	65 Å²	65	30.3 Å²	30.3	28%	0.283	15%	0.154	S	C	.	.			trans	-74.1	125.6	174.6	-176.3	177.2	80	-126.5	0	108.9	I162 D163 N165 V217 Y218 E219	I162-K167 WeakPolarHBondContact CA-O 3.32Å; D163-K167 PolarHBondContact N-O 2.86Å; D163-K167 VanDerWaalsContact N-O 3.14Å; D163-K167 VanDerWaalsContact OD1-CB 3.31Å; D163-K167 WeakPolarHBondContact OD1-CB 3.37Å; D163-K167 PolarHBondContact OD1-N 3.33Å; D163-K167 WeakPolarHBondContact OD2-CB 3.36Å; D163-K167 VanDerWaalsContact OD2-CE 3.31Å; D163-K167 WeakPolarHBondContact OD2-CE 3.27Å; D163-K167 IonicContact OD2-NZ 2.7Å; D163-K167 PolarHBondContact OD2-NZ 2.84Å; N165-K167 VanDerWaalsContact C-N 3.28Å; K167-V217 HydrophobicContact CD-CG1 3.56Å; K167-V217 HydrophobicContact CG-CG1 3.58Å; K167-Y218 WeakPolarHBondContact CA-O 3.19Å; K167-E219 HydrophobicContact CB-CG 4.47Å; K167-E219 HydrophobicContact CD-CG 3.86Å; K167-E219 HydrophobicContact CG-CG 3.74Å
168	V	97.8	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.7	176.9	179.7	0	0	0	0	108.8	F91 I118 L161 I162 G166 L170 I188 V217 Y218	F91-V168 HydrophobicContact CD2-CG2 4.43Å; F91-V168 HydrophobicContact CE2-CG2 4.15Å; I118-V168 HydrophobicContact CD1-CG1 3.89Å; I118-V168 HydrophobicContact CD1-CG2 3.84Å; I118-V168 HydrophobicContact CG1-CG1 4.1Å; I118-V168 HydrophobicContact CG1-CG2 4.36Å; I118-V168 HydrophobicContact CG2-CG1 3.95Å; L161-V168 CarbonylContact O-C 3.57Å; L161-V168 WeakPolarHBondContact O-CA 3.4Å; I162-V168 HydrophobicContact CD1-CG2 4.21Å; I162-V168 HydrophobicContact CG1-CG2 4.28Å; G166-V168 PolarHBondContact O-N 3.37Å; V168-L170 HydrophobicContact CG1-CD2 3.99Å; V168-L170 HydrophobicContact CG1-CG 4.49Å; V168-I188 HydrophobicContact CB-CG2 4.38Å; V168-I188 HydrophobicContact CG1-CG2 3.99Å; V168-V217 WeakPolarHBondContact O-CA 3.42Å; V168-Y218 HydrophobicContact CB-CD2 4.37Å; V168-Y218 HydrophobicContact CG1-CD2 4.39Å; V168-Y218 PolarHBondContact N-O 3.47Å; V168-Y218 PolarHBondContact O-N 3.42Å
169	S	98.2	Very high	96	Very high	12 Å²	12	35.4 Å²	35.4	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124	176.9	-53.1	0	0	0	0	110.2	L161 V216	L161-S169 PolarHBondContact N-O 3.4Å; L161-S169 PolarHBondContact O-N 2.9Å; S169-V216 CarbonylContact C-O 3.59Å; S169-V216 VanDerWaalsContact CA-O 3.3Å; S169-V216 WeakPolarHBondContact CA-O 3.32Å
170	L	98.4	Very high	95.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.4	174.2	-47.6	-178.8	0	0	0	107.9	I118 N120 T159 V168 Y172 S186 V205 V216 Y218	I118-L170 HydrophobicContact CG2-CD2 3.66Å; N120-L170 HydrophobicContact CB-CD2 4.31Å; T159-L170 CarbonylContact O-C 3.58Å; T159-L170 WeakPolarHBondContact O-CA 3.49Å; V168-L170 HydrophobicContact CG1-CD2 3.99Å; V168-L170 HydrophobicContact CG1-CG 4.49Å; L170-Y172 HydrophobicContact CB-CE1 4.45Å; L170-S186 VanDerWaalsContact CD1-OG 3.25Å; L170-S186 WeakPolarHBondContact CD1-OG 3.45Å; L170-V205 HydrophobicContact CD1-CG2 4.42Å; L170-V216 HydrophobicContact CB-CB 4.23Å; L170-V216 PolarHBondContact N-O 3.04Å; L170-V216 PolarHBondContact O-N 2.77Å; L170-Y218 HydrophobicContact CD1-CE2 3.83Å; L170-Y218 HydrophobicContact CG-CE2 4.27Å
171	Y	98.5	Very high	95.8	Very high	16 Å²	16	46 Å²	46	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.5	179.8	-178.5	-100.8	0	0	0	110	Q64 S65 Q66 P67 T159 D173 T214 L215	Q64-Y171 HydrophobicContact CB-CE2 4.42Å; Q64-Y171 PolarHBondContact O-OH 3.2Å; Q64-Y171 VanDerWaalsContact O-OH 3.08Å; S65-Y171 WeakPolarHBondContact O-CE2 3.31Å; Q66-Y171 HydrophobicContact CB-CE1 4.12Å; Q66-Y171 HydrophobicContact CG-CD1 3.98Å; Q66-Y171 HydrophobicContact CG-CE1 3.32Å; Q66-Y171 PolarHBondContact N-OH 3.03Å; P67-Y171 HydrophobicContact CG-CG 4.38Å; T159-Y171 PolarHBondContact N-O 2.91Å; T159-Y171 PolarHBondContact O-N 2.83Å; Y171-D173 HydrophobicContact CD1-CB 4.35Å; Y171-D173 HydrophobicContact CE1-CB 4.08Å; Y171-D173 WeakPolarHBondContact CE1-OD1 3.43Å; Y171-T214 WeakPolarHBondContact CD2-O 3.46Å; Y171-L215 HydrophobicContact CD2-CB 4.09Å; Y171-L215 HydrophobicContact CD2-CD1 4.18Å
172	Y	98.4	Very high	95.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	94.7	179.5	-46.5	-48.8	0	0	0	109.1	N120 M158 L170 I175 S186 I210 S212 G213 T214 V216	N120-Y172 WeakPolarHBondContact OD1-CE1 3.46Å; M158-Y172 HydrophobicContact CE-CD1 3.54Å; M158-Y172 HydrophobicContact CE-CE1 3.57Å; M158-Y172 HydrophobicContact CG-CD1 4.42Å; L170-Y172 HydrophobicContact CB-CE1 4.45Å; Y172-I175 HydrophobicContact CG-CG1 4.37Å; Y172-S186 WeakPolarHBondContact CE1-OG 3.16Å; Y172-S186 VanDerWaalsContact OH-CB 3.28Å; Y172-S186 WeakPolarHBondContact OH-CB 3.45Å; Y172-S186 PolarHBondContact OH-OG 3.16Å; Y172-I210 HydrophobicContact CD1-CG2 4Å; Y172-I210 HydrophobicContact CD2-CB 4.34Å; Y172-I210 HydrophobicContact CD2-CG2 3.95Å; Y172-I210 HydrophobicContact CE1-CG2 3.89Å; Y172-I210 HydrophobicContact CE2-CB 4.03Å; Y172-I210 HydrophobicContact CE2-CG1 4.03Å; Y172-I210 HydrophobicContact CE2-CG2 3.9Å; Y172-I210 HydrophobicContact CG-CG2 4.04Å; Y172-S212 CarbonylContact O-C 3.59Å; Y172-S212 WeakPolarHBondContact O-CA 3.31Å; Y172-G213 PolarHBondContact O-N 3.16Å; Y172-T214 HydrophobicContact CE2-CG2 4.5Å; Y172-T214 PolarHBondContact N-O 2.67Å; Y172-T214 VanDerWaalsContact N-O 3.07Å; Y172-V216 HydrophobicContact CE2-CG2 3.98Å
173	D	97.2	Very high	95.7	Very high	27 Å²	27	50 Å²	50	14%	0.144	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	-46.9	-177.7	-58.4	-103.4	0	0	0	111.9	Q66 T157 T159 Y171	Q66-D173 VanDerWaalsContact CD-OD1 3.29Å; Q66-D173 WeakPolarHBondContact CG-OD1 3.38Å; Q66-D173 PolarHBondContact NE2-OD1 3.47Å; T157-D173 HydrophobicContact CG2-CB 3.56Å; T157-D173 PolarHBondContact O-N 3.09Å; T159-D173 PolarHBondContact OG1-OD2 3.38Å; Y171-D173 HydrophobicContact CD1-CB 4.35Å; Y171-D173 HydrophobicContact CE1-CB 4.08Å; Y171-D173 WeakPolarHBondContact CE1-OD1 3.43Å
174	N	97	Very high	95.8	Very high	72 Å²	72	49.7 Å²	49.7	39%	0.385	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	119	177.5	-175	47.4	0	0	0	110.3	T155 A156 T157	T155-N174 PolarHBondContact O-ND2 2.86Å; A156-N174 CarbonylContact C-O 3.6Å; A156-N174 WeakPolarHBondContact CA-O 3.41Å; T157-N174 PolarHBondContact N-O 3.05Å; T157-N174 PolarHBondContact O-N 2.79Å; T157-N174 VanDerWaalsContact O-N 3.13Å
175	I	97.6	Very high	95.9	Very high	13 Å²	13	51.4 Å²	51.4	7%	0.067	25%	0.253	C	S	.	.			trans	-123.3	101.1	171.9	-53	-65	0	0	0	107.3	I122 A156 M158 Y172 L184 I210 S212	I122-I175 HydrophobicContact CD1-CD1 4.49Å; A156-I175 HydrophobicContact CB-CD1 4.45Å; M158-I175 HydrophobicContact CE-CD1 4.23Å; M158-I175 HydrophobicContact CG-CD1 3.91Å; M158-I175 HydrophobicContact SD-CD1 4.36Å; Y172-I175 HydrophobicContact CG-CG1 4.37Å; I175-L184 HydrophobicContact CG2-CD1 4.11Å; I175-L184 HydrophobicContact CG2-CD2 4.06Å; I175-I210 HydrophobicContact CD1-CG2 4.34Å; I175-I210 HydrophobicContact CG1-CG2 4.41Å; I175-S212 PolarHBondContact N-OG 3.49Å; I175-S212 PolarHBondContact O-OG 2.8Å
176	P	96.4	Very high	96.2	Very high	16 Å²	16	45.3 Å²	45.3	10%	0.104	22%	0.221	C	C	.	.			trans	-51.4	140.7	171.2	-25.9	32.5	0	0	0	111.6	V154 T155 E178 I179	V154-P176 HydrophobicContact CB-CB 4.16Å; V154-P176 HydrophobicContact CB-CG 3.92Å; V154-P176 HydrophobicContact CG2-CB 4.17Å; V154-P176 HydrophobicContact CG2-CG 4.07Å; T155-P176 WeakPolarHBondContact O-CG 2.98Å; P176-E178 VanDerWaalsContact CB-OE2 3.25Å; P176-E178 WeakPolarHBondContact CB-OE2 3.22Å; P176-E178 PolarHBondContact O-N 2.95Å; P176-I179 HydrophobicContact CB-CD1 4.12Å; P176-I179 HydrophobicContact CB-CG1 4.24Å; P176-I179 HydrophobicContact CG-CD1 4.01Å; P176-I179 PolarHBondContact O-N 3.45Å
177	K	94.4	Very high	96.4	Very high	204 Å²	204	45.2 Å²	45.2	89%	0.887	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.2	-176.2	-67.9	-178.9	-178.9	175.9	0	112.7	I179	K177-I179 VanDerWaalsContact C-N 3.27Å
178	E	92.8	Very high	96.5	Very high	113 Å²	113	42.1 Å²	42.1	53%	0.528	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.6	-179.5	-57.7	77.8	-172.9	0	0	111.9	V149 P176	V149-E178 HydrophobicContact CB-CB 4.34Å; V149-E178 HydrophobicContact CG1-CB 3.9Å; P176-E178 VanDerWaalsContact CB-OE2 3.25Å; P176-E178 WeakPolarHBondContact CB-OE2 3.22Å; P176-E178 PolarHBondContact O-N 2.95Å
179	I	93.6	Very high	96.4	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.056	21%	0.212	C	C	.	.	S	Bend	trans	-75.6	131	177.2	-61	172.5	0	0	0	109.4	I122 I147 V149 V154 A156 P176 K177 Q183 L184	I122-I179 HydrophobicContact CD1-CD1 3.89Å; I122-I179 HydrophobicContact CG2-CG2 4.01Å; I147-I179 HydrophobicContact CD1-CD1 3.56Å; I147-I179 HydrophobicContact CD1-CG1 4.27Å; V149-I179 HydrophobicContact CG2-CG1 4.38Å; V154-I179 HydrophobicContact CG2-CG1 4.45Å; A156-I179 HydrophobicContact CB-CD1 3.84Å; P176-I179 HydrophobicContact CB-CD1 4.12Å; P176-I179 HydrophobicContact CB-CG1 4.24Å; P176-I179 HydrophobicContact CG-CD1 4.01Å; P176-I179 PolarHBondContact O-N 3.45Å; K177-I179 VanDerWaalsContact C-N 3.27Å; I179-Q183 HydrophobicContact CG2-CB 4.18Å; I179-L184 HydrophobicContact CG2-CD2 3.82Å; I179-L184 HydrophobicContact CG2-CG 4.18Å
180	E	94.2	Very high	96.2	Very high	128 Å²	128	42.6 Å²	42.6	60%	0.598	21%	0.208	S	C	*	.			trans	-70.8	141.1	178.9	-62.8	-175.1	178.2	0	0	111.4	S182 Q183	E180-S182 WeakPolarHBondContact CB-OG 3.46Å; E180-S182 PolarHBondContact O-N 2.95Å; E180-S182 VanDerWaalsContact O-N 3.1Å; E180-S182 PolarHBondContact OE2-OG 3.11Å; E180-Q183 HydrophobicContact CB-CG 4.26Å; E180-Q183 WeakPolarHBondContact O-CB 3.3Å; E180-Q183 PolarHBondContact O-N 2.93Å
181	E	95.6	Very high	96	Very high	100 Å²	100	44.8 Å²	44.8	47%	0.467	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-56.5	-29.3	177.2	-74.6	-168.4	-176.3	0	0	112.7	Q183 L184 A207	E181-Q183 VanDerWaalsContact C-N 3.27Å; E181-Q183 PolarHBondContact O-N 2.81Å; E181-L184 PolarHBondContact O-N 2.84Å; E181-A207 HydrophobicContact CB-CB 3.77Å; E181-A207 HydrophobicContact CG-CB 4.28Å; E181-A207 WeakPolarHBondContact O-CB 3.45Å
182	S	95.3	Very high	95.6	Very high	65 Å²	65	44.3 Å²	44.3	46%	0.455	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-61.3	-32.4	176.9	57.4	0	0	0	0	113.1	E180 K185	E180-S182 WeakPolarHBondContact CB-OG 3.46Å; E180-S182 PolarHBondContact O-N 2.95Å; E180-S182 VanDerWaalsContact O-N 3.1Å; E180-S182 PolarHBondContact OE2-OG 3.11Å; S182-K185 WeakPolarHBondContact O-CE 3.38Å; S182-K185 PolarHBondContact O-NZ 3.31Å
183	Q	95.2	Very high	95	Very high	23 Å²	23	48.1 Å²	48.1	11%	0.107	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-80.6	-19.6	-177.5	-60	-179.6	-84.9	0	0	112.7	I122 E123 I179 E180 E181 K185	I122-Q183 CarbonylContact C-O 3.52Å; I122-Q183 WeakPolarHBondContact CA-O 3.08Å; I122-Q183 HydrophobicContact CG2-CB 3.91Å; E123-Q183 HydrophobicContact CB-CB 4.33Å; E123-Q183 PolarHBondContact N-O 3.1Å; E123-Q183 PolarHBondContact O-NE2 3.24Å; E123-Q183 VanDerWaalsContact O-NE2 3.08Å; I179-Q183 HydrophobicContact CG2-CB 4.18Å; E180-Q183 HydrophobicContact CB-CG 4.26Å; E180-Q183 WeakPolarHBondContact O-CB 3.3Å; E180-Q183 PolarHBondContact O-N 2.93Å; E181-Q183 VanDerWaalsContact C-N 3.27Å; E181-Q183 PolarHBondContact O-N 2.81Å; Q183-K185 PolarHBondContact O-N 3.05Å
184	L	96.9	Very high	94.3	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	111	-174.6	-60.9	173.6	0	0	0	110	I122 I175 I179 E181 I210	I122-L184 HydrophobicContact CD1-CD2 3.7Å; I122-L184 HydrophobicContact CG1-CD2 3.88Å; I122-L184 HydrophobicContact CG2-CD2 4.38Å; I175-L184 HydrophobicContact CG2-CD1 4.11Å; I175-L184 HydrophobicContact CG2-CD2 4.06Å; I179-L184 HydrophobicContact CG2-CD2 3.82Å; I179-L184 HydrophobicContact CG2-CG 4.18Å; E181-L184 PolarHBondContact O-N 2.84Å; L184-I210 HydrophobicContact CB-CB 4.27Å; L184-I210 HydrophobicContact CB-CD1 3.8Å; L184-I210 HydrophobicContact CB-CG2 4.09Å; L184-I210 HydrophobicContact CD1-CB 3.94Å; L184-I210 HydrophobicContact CD1-CG2 3.95Å; L184-I210 HydrophobicContact CD2-CG2 4.22Å; L184-I210 HydrophobicContact CG-CG2 4.32Å
185	K	96.8	Very high	93.5	Very high	69 Å²	69	50.3 Å²	50.3	30%	0.3	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.8	178.2	-55.4	-54	-172.1	-160.2	0	110	I119 N120 Y121 E123 S182 Q183	I119-K185 HydrophobicContact CG2-CB 4.01Å; N120-K185 CarbonylContact C-O 3.58Å; N120-K185 WeakPolarHBondContact CA-O 3.34Å; Y121-K185 HydrophobicContact CD1-CB 4.01Å; Y121-K185 HydrophobicContact CD2-CB 4.41Å; Y121-K185 HydrophobicContact CE1-CB 3.67Å; Y121-K185 HydrophobicContact CE1-CG 4.17Å; Y121-K185 HydrophobicContact CE2-CB 4.08Å; Y121-K185 HydrophobicContact CE2-CG 3.87Å; Y121-K185 HydrophobicContact CG-CB 4.36Å; Y121-K185 PolarHBondContact N-O 3.48Å; Y121-K185 PolarHBondContact O-N 2.91Å; E123-K185 HydrophobicContact CG-CG 4.18Å; E123-K185 WeakPolarHBondContact OE1-CE 3.44Å; E123-K185 IonicContact OE1-NZ 3.71Å; E123-K185 IonicContact OE2-NZ 3Å; S182-K185 WeakPolarHBondContact O-CE 3.38Å; S182-K185 PolarHBondContact O-NZ 3.31Å; Q183-K185 PolarHBondContact O-N 3.05Å
186	S	97.8	Very high	92.7	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	137.1	179.8	-161.3	0	0	0	0	109.9	I119 N120 L170 Y172 S204 V205	I119-S186 CarbonylContact O-C 3.58Å; I119-S186 VanDerWaalsContact O-CA 3.25Å; I119-S186 WeakPolarHBondContact O-CA 3.5Å; N120-S186 PolarHBondContact OD1-OG 3.42Å; L170-S186 VanDerWaalsContact CD1-OG 3.25Å; L170-S186 WeakPolarHBondContact CD1-OG 3.45Å; Y172-S186 WeakPolarHBondContact CE1-OG 3.16Å; Y172-S186 VanDerWaalsContact OH-CB 3.28Å; Y172-S186 WeakPolarHBondContact OH-CB 3.45Å; Y172-S186 PolarHBondContact OH-OG 3.16Å; S186-S204 WeakPolarHBondContact O-CA 3.06Å; S186-V205 PolarHBondContact O-N 2.89Å
187	G	97.4	Very high	92.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	-175	-173.5	0	0	0	0	0	114.5	I119 I203 Y218	I119-G187 PolarHBondContact N-O 3.02Å; I119-G187 PolarHBondContact O-N 2.87Å; I119-G187 VanDerWaalsContact O-O 3.13Å; G187-I203 WeakPolarHBondContact CA-O 3.43Å; G187-Y218 WeakPolarHBondContact CA-OH 3.27Å
188	I	97	Very high	91.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.9	167.2	60.2	170.8	0	0	0	110.1	Y56 F91 Y92 I118 V168 E202 I203 Y218	Y56-I188 HydrophobicContact CD1-CD1 3.9Å; Y56-I188 HydrophobicContact CD2-CD1 4.01Å; Y56-I188 HydrophobicContact CE1-CD1 4.02Å; Y56-I188 HydrophobicContact CE2-CD1 4.14Å; Y56-I188 HydrophobicContact CG-CD1 3.89Å; F91-I188 HydrophobicContact CE2-CB 4.4Å; F91-I188 HydrophobicContact CE2-CG2 4.41Å; F91-I188 HydrophobicContact CZ-CB 4.07Å; F91-I188 HydrophobicContact CZ-CG2 4.5Å; Y92-I188 HydrophobicContact CE2-CD1 4.08Å; Y92-I188 HydrophobicContact CE2-CG1 4.3Å; I118-I188 HydrophobicContact CG1-CG2 4.23Å; V168-I188 HydrophobicContact CB-CG2 4.38Å; V168-I188 HydrophobicContact CG1-CG2 3.99Å; I188-E202 CarbonylContact O-C 3.59Å; I188-E202 WeakPolarHBondContact O-CA 3.38Å; I188-I203 HydrophobicContact CD1-CD1 4.09Å; I188-I203 HydrophobicContact CG1-CB 4.01Å; I188-I203 HydrophobicContact CG1-CD1 4.17Å; I188-I203 HydrophobicContact CG1-CG1 4.44Å; I188-I203 PolarHBondContact N-O 2.88Å; I188-I203 VanDerWaalsContact N-O 3.12Å; I188-I203 PolarHBondContact O-N 3.22Å; I188-Y218 HydrophobicContact CD1-CD1 3.52Å; I188-Y218 HydrophobicContact CD1-CD2 4.48Å; I188-Y218 HydrophobicContact CD1-CE1 4.06Å; I188-Y218 HydrophobicContact CD1-CG 3.74Å; I188-Y218 HydrophobicContact CG1-CD1 3.79Å; I188-Y218 HydrophobicContact CG1-CE1 3.79Å; I188-Y218 HydrophobicContact CG1-CG 4.17Å; I188-Y218 HydrophobicContact CG2-CD2 3.93Å; I188-Y218 HydrophobicContact CG2-CE2 4.04Å; I188-Y218 HydrophobicContact CG2-CG 4.23Å
189	L	95.6	Very high	91.6	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.3	179.1	-178	152.2	0	0	0	110.2	F91 G116 E117 I119 I191 N200 H201 E202	F91-L189 WeakPolarHBondContact CE1-O 3.15Å; G116-L189 CarbonylContact C-O 3.59Å; G116-L189 WeakPolarHBondContact CA-O 3.41Å; E117-L189 HydrophobicContact CB-CB 4.4Å; E117-L189 PolarHBondContact N-O 3.02Å; E117-L189 PolarHBondContact O-N 2.9Å; I119-L189 HydrophobicContact CD1-CB 4.06Å; L189-I191 HydrophobicContact CD2-CG1 3.82Å; L189-N200 HydrophobicContact CD1-CB 4.24Å; L189-N200 HydrophobicContact CD2-CB 4.25Å; L189-N200 HydrophobicContact CG-CB 4.31Å; L189-H201 CarbonylContact C-O 3.51Å; L189-H201 WeakPolarHBondContact CA-O 3.34Å; L189-E202 HydrophobicContact CB-CB 4.47Å; L189-E202 HydrophobicContact CB-CG 4.34Å; L189-E202 HydrophobicContact CD1-CB 4.32Å; L189-E202 HydrophobicContact CG-CB 4.48Å
190	G	94.7	Very high	91.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.1	171.6	0	0	0	0	0	111.2	N200 H201	G190-N200 WeakPolarHBondContact O-CA 3.44Å; G190-H201 PolarHBondContact N-O 2.78Å; G190-H201 PolarHBondContact O-N 3.5Å
191	I	93.5	Very high	91.3	Very high	47 Å²	47	50.8 Å²	50.8	24%	0.241	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.4	171.3	-58.9	177.3	0	0	0	107.9	Q114 I115 L189 V198	Q114-I191 HydrophobicContact CB-CD1 4.17Å; Q114-I191 HydrophobicContact CG-CD1 3.73Å; I115-I191 PolarHBondContact O-N 3.28Å; L189-I191 HydrophobicContact CD2-CG1 3.82Å; I191-V198 HydrophobicContact CG2-CG1 3.52Å
192	I	89.2	Confident	91.2	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.2	-171.3	-61.1	174.7	0	0	0	109	N27 I29 Y54 Y92 C194 T199 H201	N27-I192 HydrophobicContact CB-CG2 3.89Å; N27-I192 WeakPolarHBondContact ND2-CG2 3.45Å; I29-I192 HydrophobicContact CD1-CD1 4.22Å; I29-I192 HydrophobicContact CG2-CB 4.5Å; I29-I192 HydrophobicContact CG2-CD1 3.8Å; I29-I192 HydrophobicContact CG2-CG2 3.71Å; Y54-I192 HydrophobicContact CD1-CD1 4.44Å; Y54-I192 HydrophobicContact CE1-CD1 3.88Å; Y92-I192 HydrophobicContact CD1-CD1 4.37Å; I192-C194 PolarHBondContact O-N 3.46Å; I192-T199 WeakPolarHBondContact CA-O 3.4Å; I192-T199 WeakPolarHBondContact CB-O 3.29Å; I192-T199 PolarHBondContact N-O 2.7Å; I192-T199 PolarHBondContact O-N 2.83Å; I192-T199 PolarHBondContact O-OG1 2.95Å; I192-H201 HydrophobicContact CD1-CB 3.74Å
193	S	85.7	Confident	91.2	Very high	81 Å²	81	47.4 Å²	47.4	57%	0.566	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	117.2	172.2	-169.3	0	0	0	0	110
194	C	83.3	Confident	91.3	Very high	20 Å²	20	49.2 Å²	49.2	14%	0.135	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	166.1	165.8	-55.9	0	0	0	0	108.8	C30 I192 N196 V197	C30-C194 VanDerWaalsContact CA-SG 3.56Å; C30-C194 HydrophobicContact CB-CB 3.8Å; C30-C194 WeakPolarHBondContact CB-SG 3.46Å; C30-C194 VanDerWaalsContact SG-CA 3.57Å; C30-C194 WeakPolarHBondContact SG-CB 3.5Å; C30-C194 CovalentContact SG-SG 2.04Å; C30-C194 PolarHBondContact SG-SG 3.08Å; I192-C194 PolarHBondContact O-N 3.46Å; C194-N196 PolarHBondContact O-N 3.05Å; C194-V197 CarbonylContact C-O 3.44Å; C194-V197 WeakPolarHBondContact CA-O 3.43Å; C194-V197 VanDerWaalsContact CB-O 3.29Å; C194-V197 WeakPolarHBondContact CB-O 3.36Å; C194-V197 PolarHBondContact N-O 3.46Å; C194-V197 PolarHBondContact O-N 2.84Å
195	E	80.9	Confident	91.3	Very high	124 Å²	124	49 Å²	49	58%	0.579	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-39	-168.5	-63.3	-170	156.4	0	0	115.3	Y21	Y21-E195 PolarHBondContact OH-OE1 2.86Å
196	N	80.2	Confident	91.3	Very high	156 Å²	156	47.3 Å²	47.3	83%	0.834	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	1.6	-178.9	-63.1	-48.4	0	0	0	113.8	C194	C194-N196 PolarHBondContact O-N 3.05Å
197	V	85.5	Confident	91.3	Very high	85 Å²	85	48.5 Å²	48.5	52%	0.515	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	134.2	-172.3	-175.9	0	0	0	0	109.3	C194 T199	C194-V197 CarbonylContact C-O 3.44Å; C194-V197 WeakPolarHBondContact CA-O 3.43Å; C194-V197 VanDerWaalsContact CB-O 3.29Å; C194-V197 WeakPolarHBondContact CB-O 3.36Å; C194-V197 PolarHBondContact N-O 3.46Å; C194-V197 PolarHBondContact O-N 2.84Å; V197-T199 HydrophobicContact CG1-CG2 3.77Å
198	V	86.5	Confident	91.2	Very high	97 Å²	97	53 Å²	53	59%	0.588	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.6	164.7	-179.3	0	0	0	0	107.4	I191	I191-V198 HydrophobicContact CG2-CG1 3.52Å
199	T	88.1	Confident	91.3	Very high	46 Å²	46	53.6 Å²	53.6	28%	0.282	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.6	178.8	56.5	0	0	0	0	109.5	I192 V197	I192-T199 WeakPolarHBondContact CA-O 3.4Å; I192-T199 WeakPolarHBondContact CB-O 3.29Å; I192-T199 PolarHBondContact N-O 2.7Å; I192-T199 PolarHBondContact O-N 2.83Å; I192-T199 PolarHBondContact O-OG1 2.95Å; V197-T199 HydrophobicContact CG1-CG2 3.77Å
200	N	90.1	Very high	91.4	Very high	104 Å²	104	52.7 Å²	52.7	56%	0.556	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.4	174	-65.9	-23	0	0	0	109	L189 G190	L189-N200 HydrophobicContact CD1-CB 4.24Å; L189-N200 HydrophobicContact CD2-CB 4.25Å; L189-N200 HydrophobicContact CG-CB 4.31Å; G190-N200 WeakPolarHBondContact O-CA 3.44Å
201	H	91.6	Very high	91.5	Very high	7 Å²	7	56.8 Å²	56.8	3%	0.032	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	113.6	170.7	179.8	-92	0	0	0	108.8	I29 G36 Y92 L189 G190 I192 I203	I29-H201 HydrophobicContact CD1-CB 4.16Å; G36-H201 VanDerWaalsContact CA-CD2 3.43Å; G36-H201 WeakPolarHBondContact CA-CD2 3.46Å; G36-H201 PolarHBondContact O-CD2 3.49Å; G36-H201 VanDerWaalsContact O-CD2 3.26Å; G36-H201 PolarHBondContact O-NE2 2.9Å; Y92-H201 HydrophobicContact CE1-CB 4.01Å; Y92-H201 AromaticContact CE1-CG 3.99Å; Y92-H201 AromaticContact CE1-ND1 3.38Å; Y92-H201 WeakPolarHBondContact CE1-ND1 3.34Å; Y92-H201 AromaticContact CZ-ND1 3.59Å; Y92-H201 PolarHBondContact OH-ND1 2.97Å; Y92-H201 PolarHBondContact OH-O 3.47Å; L189-H201 CarbonylContact C-O 3.51Å; L189-H201 WeakPolarHBondContact CA-O 3.34Å; G190-H201 PolarHBondContact N-O 2.78Å; G190-H201 PolarHBondContact O-N 3.5Å; I192-H201 HydrophobicContact CD1-CB 3.74Å; H201-I203 WeakPolarHBondContact CE1-CG1 3.48Å
202	E	94	Very high	91.7	Very high	92 Å²	92	57 Å²	57	43%	0.43	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.2	178.6	-169	-177.2	147.2	0	0	110.6	I119 I188 L189 S204	I119-E202 HydrophobicContact CD1-CG 4.19Å; I188-E202 CarbonylContact O-C 3.59Å; I188-E202 WeakPolarHBondContact O-CA 3.38Å; L189-E202 HydrophobicContact CB-CB 4.47Å; L189-E202 HydrophobicContact CB-CG 4.34Å; L189-E202 HydrophobicContact CD1-CB 4.32Å; L189-E202 HydrophobicContact CG-CB 4.48Å; E202-S204 PolarHBondContact OE1-OG 3.29Å
203	I	95.6	Very high	92.1	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	91.2	170.2	-52.8	167.6	0	0	0	107.8	H53 Y56 M58 Y92 G187 I188 H201 Y218	H53-I203 HydrophobicContact CB-CD1 3.56Å; H53-I203 HydrophobicContact CB-CG1 3.92Å; H53-I203 HydrophobicContact CB-CG2 4.11Å; H53-I203 VanDerWaalsContact CG-CG2 3.47Å; H53-I203 WeakPolarHBondContact ND1-CG2 3.04Å; Y56-I203 HydrophobicContact CD2-CD1 4.08Å; Y56-I203 HydrophobicContact CG-CD1 4.19Å; M58-I203 HydrophobicContact CE-CG2 3.34Å; Y92-I203 WeakPolarHBondContact OH-CD1 3.06Å; G187-I203 WeakPolarHBondContact CA-O 3.43Å; I188-I203 HydrophobicContact CD1-CD1 4.09Å; I188-I203 HydrophobicContact CG1-CB 4.01Å; I188-I203 HydrophobicContact CG1-CD1 4.17Å; I188-I203 HydrophobicContact CG1-CG1 4.44Å; I188-I203 PolarHBondContact N-O 2.88Å; I188-I203 VanDerWaalsContact N-O 3.12Å; I188-I203 PolarHBondContact O-N 3.22Å; H201-I203 WeakPolarHBondContact CE1-CG1 3.48Å; I203-Y218 HydrophobicContact CB-CE1 4Å; I203-Y218 HydrophobicContact CG2-CD1 4.47Å; I203-Y218 HydrophobicContact CG2-CE1 3.65Å; I203-Y218 PolarHBondContact O-OH 3.29Å
204	S	96.6	Very high	92.7	Very high	62 Å²	62	53.4 Å²	53.4	43%	0.434	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	144.3	-178.8	-38.3	0	0	0	0	111.6	M58 S186 E202	M58-S204 WeakPolarHBondContact CE-O 3.29Å; S186-S204 WeakPolarHBondContact O-CA 3.06Å; E202-S204 PolarHBondContact OE1-OG 3.29Å
205	V	97.9	Very high	93.5	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.042	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-76.3	127.1	168.1	-175.9	0	0	0	0	108	I60 L170 S186 A207 W209 I210 V216 Y218	I60-V205 HydrophobicContact CD1-CG1 4.07Å; L170-V205 HydrophobicContact CD1-CG2 4.42Å; S186-V205 PolarHBondContact O-N 2.89Å; V205-A207 PolarHBondContact O-N 3.1Å; V205-W209 HydrophobicContact CG1-CB 4.21Å; V205-I210 HydrophobicContact CB-CD1 4.37Å; V205-I210 HydrophobicContact CB-CG1 4.29Å; V205-I210 HydrophobicContact CG1-CG1 3.92Å; V205-V216 HydrophobicContact CG1-CG2 3.89Å; V205-V216 HydrophobicContact CG2-CB 4.37Å; V205-V216 HydrophobicContact CG2-CG1 3.87Å; V205-V216 HydrophobicContact CG2-CG2 4.03Å; V205-Y218 WeakPolarHBondContact CG2-OH 3.37Å
206	P	97	Very high	94.3	Very high	34 Å²	34	47.8 Å²	47.8	22%	0.221	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-62.2	127.6	177.3	-15	25	0	0	0	110.4	K208 W209	P206-K208 HydrophobicContact CB-CG 4.44Å; P206-K208 PolarHBondContact O-N 2.7Å; P206-W209 WeakPolarHBondContact O-CB 3.35Å; P206-W209 PolarHBondContact O-N 3.47Å
207	A	96.8	Very high	95.2	Very high	28 Å²	28	41.2 Å²	41.2	23%	0.231	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.3	-33.6	-168.9	0	0	0	0	0	114.4	E181 V205 W209 I210	E181-A207 HydrophobicContact CB-CB 3.77Å; E181-A207 HydrophobicContact CG-CB 4.28Å; E181-A207 WeakPolarHBondContact O-CB 3.45Å; V205-A207 PolarHBondContact O-N 3.1Å; A207-W209 PolarHBondContact O-N 2.93Å; A207-I210 PolarHBondContact O-N 2.95Å
208	K	95.8	Very high	95.8	Very high	95 Å²	95	37.2 Å²	37.2	41%	0.413	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-54.7	-22.3	174.4	73	178	-172.3	174	0	114.9	E44 P206 K211	E44-K208 WeakPolarHBondContact OE1-CE 3.41Å; E44-K208 IonicContact OE1-NZ 3.79Å; E44-K208 PolarHBondContact OE1-NZ 3.24Å; P206-K208 HydrophobicContact CB-CG 4.44Å; P206-K208 PolarHBondContact O-N 2.7Å; K208-K211 WeakPolarHBondContact O-CE 3.3Å; K208-K211 PolarHBondContact O-NZ 3.38Å
209	W	97.7	Very high	96.2	Very high	12 Å²	12	36.9 Å²	36.9	5%	0.045	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-93.2	-13.3	177.8	-72.3	103.6	0	0	0	113.5	E44 N45 R49 I60 R62 V205 P206 A207 K211 T214	E44-W209 HydrophobicContact CG-CZ2 4.06Å; N45-W209 WeakPolarHBondContact O-CH2 3.28Å; N45-W209 WeakPolarHBondContact O-CZ2 3.31Å; R49-W209 HydrophobicContact CB-CH2 4.14Å; R49-W209 HydrophobicContact CB-CZ2 3.71Å; I60-W209 HydrophobicContact CB-CD2 4.43Å; I60-W209 HydrophobicContact CB-CE3 4.27Å; I60-W209 HydrophobicContact CD1-CB 3.99Å; I60-W209 HydrophobicContact CD1-CD2 4.19Å; I60-W209 HydrophobicContact CD1-CG 3.78Å; I60-W209 HydrophobicContact CG2-CB 4.06Å; I60-W209 HydrophobicContact CG2-CD2 3.77Å; I60-W209 HydrophobicContact CG2-CE3 3.38Å; I60-W209 HydrophobicContact CG2-CG 4.08Å; I60-W209 HydrophobicContact CG2-CZ3 4.02Å; R62-W209 HydrophobicContact CG-CE3 3.93Å; R62-W209 HydrophobicContact CG-CZ3 3.75Å; V205-W209 HydrophobicContact CG1-CB 4.21Å; P206-W209 WeakPolarHBondContact O-CB 3.35Å; P206-W209 PolarHBondContact O-N 3.47Å; A207-W209 PolarHBondContact O-N 2.93Å; W209-K211 VanDerWaalsContact C-N 3.28Å; W209-K211 PolarHBondContact O-N 3.04Å; W209-T214 WeakPolarHBondContact O-CG2 3.37Å; W209-T214 PolarHBondContact O-OG1 3.5Å
210	I	98	Very high	96.4	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.212	C	C	.	.			trans	-79.7	78.6	-180	-52.6	176.4	0	0	0	109.1	M158 Y172 I175 L184 V205 A207	M158-I210 HydrophobicContact CE-CG2 3.93Å; Y172-I210 HydrophobicContact CD1-CG2 4Å; Y172-I210 HydrophobicContact CD2-CB 4.34Å; Y172-I210 HydrophobicContact CD2-CG2 3.95Å; Y172-I210 HydrophobicContact CE1-CG2 3.89Å; Y172-I210 HydrophobicContact CE2-CB 4.03Å; Y172-I210 HydrophobicContact CE2-CG1 4.03Å; Y172-I210 HydrophobicContact CE2-CG2 3.9Å; Y172-I210 HydrophobicContact CG-CG2 4.04Å; I175-I210 HydrophobicContact CD1-CG2 4.34Å; I175-I210 HydrophobicContact CG1-CG2 4.41Å; L184-I210 HydrophobicContact CB-CB 4.27Å; L184-I210 HydrophobicContact CB-CD1 3.8Å; L184-I210 HydrophobicContact CB-CG2 4.09Å; L184-I210 HydrophobicContact CD1-CB 3.94Å; L184-I210 HydrophobicContact CD1-CG2 3.95Å; L184-I210 HydrophobicContact CD2-CG2 4.22Å; L184-I210 HydrophobicContact CG-CG2 4.32Å; V205-I210 HydrophobicContact CB-CD1 4.37Å; V205-I210 HydrophobicContact CB-CG1 4.29Å; V205-I210 HydrophobicContact CG1-CG1 3.92Å; A207-I210 PolarHBondContact O-N 2.95Å
211	K	97.5	Very high	96.2	Very high	86 Å²	86	34.2 Å²	34.2	37%	0.374	19%	0.193	S	C	.	.			trans	-134.5	151.7	-176.6	-68.4	176.3	177.2	155.4	0	110.8	K208 W209 G213 T214	K208-K211 WeakPolarHBondContact O-CE 3.3Å; K208-K211 PolarHBondContact O-NZ 3.38Å; W209-K211 VanDerWaalsContact C-N 3.28Å; W209-K211 PolarHBondContact O-N 3.04Å; K211-G213 PolarHBondContact O-N 3.25Å; K211-T214 VanDerWaalsContact O-CB 3.26Å; K211-T214 WeakPolarHBondContact O-CB 3.33Å; K211-T214 PolarHBondContact O-N 3.14Å; K211-T214 VanDerWaalsContact O-N 3.09Å; K211-T214 PolarHBondContact O-OG1 2.65Å
212	S	98	Very high	95.5	Very high	51 Å²	51	37.5 Å²	37.5	36%	0.357	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	134.2	177	-50.6	0	0	0	0	112.3	Y172 I175 T214	Y172-S212 CarbonylContact O-C 3.59Å; Y172-S212 WeakPolarHBondContact O-CA 3.31Å; I175-S212 PolarHBondContact N-OG 3.49Å; I175-S212 PolarHBondContact O-OG 2.8Å; S212-T214 VanDerWaalsContact C-N 3.34Å
213	G	97.8	Very high	94.5	Very high	12 Å²	12	39.1 Å²	39.1	12%	0.124	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	19	-179.5	0	0	0	0	0	114.4	R62 N63 Q64 Y172 K211	R62-G213 CarbonylContact C-O 3.59Å; N63-G213 WeakPolarHBondContact CA-O 3.36Å; N63-G213 PolarHBondContact N-O 3.3Å; Q64-G213 PolarHBondContact N-O 3.18Å; Y172-G213 PolarHBondContact O-N 3.16Å; K211-G213 PolarHBondContact O-N 3.25Å
214	T	98.6	Very high	93.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.3	173.6	-45.7	0	0	0	0	110.2	I60 Q61 R62 Y171 Y172 W209 K211 S212	I60-T214 HydrophobicContact CG2-CG2 3.45Å; I60-T214 VanDerWaalsContact CG2-CG2 3.45Å; Q61-T214 CarbonylContact O-C 3.55Å; Q61-T214 WeakPolarHBondContact O-CA 3.28Å; Q61-T214 WeakPolarHBondContact O-CG2 3.36Å; R62-T214 HydrophobicContact CG-CG2 4.06Å; Y171-T214 WeakPolarHBondContact CD2-O 3.46Å; Y172-T214 HydrophobicContact CE2-CG2 4.5Å; Y172-T214 PolarHBondContact N-O 2.67Å; Y172-T214 VanDerWaalsContact N-O 3.07Å; W209-T214 WeakPolarHBondContact O-CG2 3.37Å; W209-T214 PolarHBondContact O-OG1 3.5Å; K211-T214 VanDerWaalsContact O-CB 3.26Å; K211-T214 WeakPolarHBondContact O-CB 3.33Å; K211-T214 PolarHBondContact O-N 3.14Å; K211-T214 VanDerWaalsContact O-N 3.09Å; K211-T214 PolarHBondContact O-OG1 2.65Å; S212-T214 VanDerWaalsContact C-N 3.34Å
215	L	98.7	Very high	92.9	Very high	25 Å²	25	39 Å²	39	13%	0.131	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.3	174	179.4	65.4	0	0	0	109	I60 Q61 Q64 P67 Y171 V217	I60-L215 WeakPolarHBondContact CA-O 3.29Å; Q61-L215 PolarHBondContact N-O 3.29Å; Q61-L215 PolarHBondContact O-N 3.47Å; Q64-L215 HydrophobicContact CB-CB 3.95Å; Q64-L215 HydrophobicContact CG-CB 3.93Å; P67-L215 HydrophobicContact CB-CD1 4.49Å; P67-L215 HydrophobicContact CG-CD1 4.15Å; Y171-L215 HydrophobicContact CD2-CB 4.09Å; Y171-L215 HydrophobicContact CD2-CD1 4.18Å; L215-V217 HydrophobicContact CD1-CG2 4.38Å; L215-V217 HydrophobicContact CD2-CG2 4.06Å; L215-V217 HydrophobicContact CG-CG2 3.9Å
216	V	98.7	Very high	91.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133	170.9	-176.6	0	0	0	0	108.3	M58 T59 I60 S169 L170 Y172 V205 Y218	M58-V216 HydrophobicContact CG-CG1 3.74Å; M58-V216 HydrophobicContact SD-CG1 4.18Å; T59-V216 CarbonylContact O-C 3.59Å; T59-V216 WeakPolarHBondContact O-CA 3.36Å; I60-V216 HydrophobicContact CG1-CG1 4.3Å; I60-V216 HydrophobicContact CG1-CG2 4.17Å; I60-V216 HydrophobicContact CG2-CG2 4.19Å; S169-V216 CarbonylContact C-O 3.59Å; S169-V216 VanDerWaalsContact CA-O 3.3Å; S169-V216 WeakPolarHBondContact CA-O 3.32Å; L170-V216 HydrophobicContact CB-CB 4.23Å; L170-V216 PolarHBondContact N-O 3.04Å; L170-V216 PolarHBondContact O-N 2.77Å; Y172-V216 HydrophobicContact CE2-CG2 3.98Å; V205-V216 HydrophobicContact CG1-CG2 3.89Å; V205-V216 HydrophobicContact CG2-CB 4.37Å; V205-V216 HydrophobicContact CG2-CG1 3.87Å; V205-V216 HydrophobicContact CG2-CG2 4.03Å; V216-Y218 HydrophobicContact CG1-CD2 4.22Å; V216-Y218 HydrophobicContact CG1-CE2 3.63Å
217	V	98.4	Very high	90.8	Very high	19 Å²	19	44.4 Å²	44.4	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.2	-179.9	-177.6	0	0	0	0	109.1	M58 T59 K167 V168 L215 E219	M58-V217 WeakPolarHBondContact CA-O 3Å; T59-V217 PolarHBondContact N-O 2.94Å; T59-V217 PolarHBondContact O-N 2.87Å; K167-V217 HydrophobicContact CD-CG1 3.56Å; K167-V217 HydrophobicContact CG-CG1 3.58Å; V168-V217 WeakPolarHBondContact O-CA 3.42Å; L215-V217 HydrophobicContact CD1-CG2 4.38Å; L215-V217 HydrophobicContact CD2-CG2 4.06Å; L215-V217 HydrophobicContact CG-CG2 3.9Å; V217-E219 HydrophobicContact CG1-CG 4.02Å
218	Y	98	Very high	90.1	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.9	169.9	-61.6	-91.1	0	0	0	109.9	S57 M58 K167 V168 L170 G187 I188 I203 V205 V216	S57-Y218 WeakPolarHBondContact O-CA 3.4Å; M58-Y218 HydrophobicContact CB-CD1 4.08Å; M58-Y218 HydrophobicContact CB-CE1 4.01Å; M58-Y218 HydrophobicContact CE-CE1 3.58Å; M58-Y218 HydrophobicContact CG-CD1 4.13Å; M58-Y218 HydrophobicContact CG-CE1 3.76Å; M58-Y218 HydrophobicContact SD-CE1 4.37Å; K167-Y218 WeakPolarHBondContact CA-O 3.19Å; V168-Y218 HydrophobicContact CB-CD2 4.37Å; V168-Y218 HydrophobicContact CG1-CD2 4.39Å; V168-Y218 PolarHBondContact N-O 3.47Å; V168-Y218 PolarHBondContact O-N 3.42Å; L170-Y218 HydrophobicContact CD1-CE2 3.83Å; L170-Y218 HydrophobicContact CG-CE2 4.27Å; G187-Y218 WeakPolarHBondContact CA-OH 3.27Å; I188-Y218 HydrophobicContact CD1-CD1 3.52Å; I188-Y218 HydrophobicContact CD1-CD2 4.48Å; I188-Y218 HydrophobicContact CD1-CE1 4.06Å; I188-Y218 HydrophobicContact CD1-CG 3.74Å; I188-Y218 HydrophobicContact CG1-CD1 3.79Å; I188-Y218 HydrophobicContact CG1-CE1 3.79Å; I188-Y218 HydrophobicContact CG1-CG 4.17Å; I188-Y218 HydrophobicContact CG2-CD2 3.93Å; I188-Y218 HydrophobicContact CG2-CE2 4.04Å; I188-Y218 HydrophobicContact CG2-CG 4.23Å; I203-Y218 HydrophobicContact CB-CE1 4Å; I203-Y218 HydrophobicContact CG2-CD1 4.47Å; I203-Y218 HydrophobicContact CG2-CE1 3.65Å; I203-Y218 PolarHBondContact O-OH 3.29Å; V205-Y218 WeakPolarHBondContact CG2-OH 3.37Å; V216-Y218 HydrophobicContact CG1-CD2 4.22Å; V216-Y218 HydrophobicContact CG1-CE2 3.63Å
219	E	95.1	Very high	89.5	Confident	90 Å²	90	46.7 Å²	46.7	42%	0.421	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.5	176.9	-73.1	178	85.7	0	0	109.7	Y56 S57 K167 V217 I221	Y56-E219 CarbonylContact C-O 3.59Å; Y56-E219 WeakPolarHBondContact CA-O 3.02Å; Y56-E219 WeakPolarHBondContact CD1-O 3.03Å; S57-E219 PolarHBondContact N-O 3.02Å; S57-E219 PolarHBondContact O-N 3.19Å; K167-E219 HydrophobicContact CB-CG 4.47Å; K167-E219 HydrophobicContact CD-CG 3.86Å; K167-E219 HydrophobicContact CG-CG 3.74Å; V217-E219 HydrophobicContact CG1-CG 4.02Å; E219-I221 PolarHBondContact O-N 3.21Å
220	A	92	Very high	89	Confident	60 Å²	60	48.9 Å²	48.9	50%	0.496	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	125	176.1	0	0	0	0	0	109.6	K55 Y56	K55-A220 WeakPolarHBondContact O-CA 2.92Å; Y56-A220 HydrophobicContact CE1-CB 4.18Å
221	I	87.1	Confident	88.6	Confident	34 Å²	34	51.3 Å²	51.3	17%	0.174	30%	0.297	C	S	.	.			trans	-99.5	115.5	174.8	56.3	-178	0	0	0	108.7	L52 K55 E219 I224	L52-I221 HydrophobicContact CD2-CD1 4.13Å; K55-I221 WeakPolarHBondContact O-CG1 3.37Å; K55-I221 PolarHBondContact O-N 3.47Å; E219-I221 PolarHBondContact O-N 3.21Å; I221-I224 HydrophobicContact CD1-CG2 3.47Å; I221-I224 VanDerWaalsContact CD1-CG2 3.47Å; I221-I224 HydrophobicContact CG1-CG2 4.12Å
222	G	76.3	Confident	88.2	Confident	76 Å²	76	53.9 Å²	53.9	78%	0.784	31%	0.31	S	S	*	.	S	Bend	trans	-78	-24.4	178.2	0	0	0	0	0	113.5
223	K	74	Confident	87.8	Confident	126 Å²	126	54.1 Å²	54.1	55%	0.548	31%	0.309	S	S	.	.			trans	-141.1	125.9	-171	-76.6	-167.2	-178.6	-179.6	0	111.2	Q227 I239	K223-Q227 VanDerWaalsContact CA-OE1 3.28Å; K223-Q227 VanDerWaalsContact CG-NE2 3.27Å; K223-I239 WeakPolarHBondContact O-CG2 3.43Å
224	I	76.7	Confident	87.3	Confident	61 Å²	61	53.6 Å²	53.6	31%	0.313	30%	0.304	S	S	.	.			trans	-125.3	159.6	172	60.7	171	0	0	0	110.7	I221 S226 Q227	I221-I224 HydrophobicContact CD1-CG2 3.47Å; I221-I224 VanDerWaalsContact CD1-CG2 3.47Å; I221-I224 HydrophobicContact CG1-CG2 4.12Å; I224-S226 PolarHBondContact O-N 3.15Å; I224-Q227 WeakPolarHBondContact O-CG 3.4Å; I224-Q227 PolarHBondContact O-N 2.9Å; I224-Q227 PolarHBondContact O-NE2 2.83Å
225	C	80.5	Confident	86.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-54.1	-41.2	-178.2	-59.2	0	0	0	0	112.4	Q227 Y228 C244 C253 I255	C225-Q227 PolarHBondContact O-N 3.3Å; C225-Y228 WeakPolarHBondContact O-CD2 3.37Å; C225-Y228 PolarHBondContact O-N 3.44Å; C225-C244 WeakPolarHBondContact CA-SG 3.45Å; C225-C244 HydrophobicContact CB-CB 3.71Å; C225-C244 WeakPolarHBondContact CB-SG 3.36Å; C225-C244 WeakPolarHBondContact SG-CA 3.43Å; C225-C244 WeakPolarHBondContact SG-CB 3.37Å; C225-C244 CovalentContact SG-SG 2.03Å; C225-C244 PolarHBondContact SG-SG 3.4Å; C225-C253 CarbonylContact C-O 3.56Å; C225-C253 WeakPolarHBondContact O-CB 3.33Å; C225-C253 PolarHBondContact O-SG 2.95Å; C225-I255 HydrophobicContact CB-CG1 3.93Å; C225-I255 VanDerWaalsContact SG-CG1 3.52Å
226	S	75.4	Confident	86.3	Confident	73 Å²	73	64.1 Å²	64.1	51%	0.51	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-60.6	-13.1	-176.7	-47.4	0	0	0	0	115.4	I224 C253	I224-S226 PolarHBondContact O-N 3.15Å; S226-C253 WeakPolarHBondContact CA-O 3.01Å; S226-C253 PolarHBondContact N-O 2.88Å
227	Q	75.4	Confident	85.6	Confident	83 Å²	83	64.9 Å²	64.9	39%	0.388	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-79.2	-18.9	176.5	82.8	-162	-19.9	0	0	113.3	K223 I224 C225	K223-Q227 VanDerWaalsContact CA-OE1 3.28Å; K223-Q227 VanDerWaalsContact CG-NE2 3.27Å; I224-Q227 WeakPolarHBondContact O-CG 3.4Å; I224-Q227 PolarHBondContact O-N 2.9Å; I224-Q227 PolarHBondContact O-NE2 2.83Å; C225-Q227 PolarHBondContact O-N 3.3Å
228	Y	81.5	Confident	84.8	Confident	39 Å²	39	70.4 Å²	70.4	15%	0.153	40%	0.396	C	S	.	.			trans	-86.3	119.9	-178.3	-60.9	-74.3	0	0	0	109.3	C225 A237 I239 C253	C225-Y228 WeakPolarHBondContact O-CD2 3.37Å; C225-Y228 PolarHBondContact O-N 3.44Å; Y228-A237 HydrophobicContact CD2-CB 3.66Å; Y228-A237 HydrophobicContact CE1-CB 4.27Å; Y228-A237 HydrophobicContact CE2-CB 3.25Å; Y228-A237 HydrophobicContact CG-CB 4.33Å; Y228-I239 HydrophobicContact CE2-CD1 3.99Å; Y228-I239 HydrophobicContact CE2-CG1 4.39Å; Y228-C253 VanDerWaalsContact O-CB 3.25Å; Y228-C253 WeakPolarHBondContact O-CB 3.41Å
229	N	83.9	Confident	83.9	Confident	132 Å²	132	71.3 Å²	71.3	71%	0.706	40%	0.401	S	S	*	.			trans	-100.4	3.2	-171.3	65.7	-12.7	0	0	0	113.9	W246	N229-W246 WeakPolarHBondContact O-CH2 3.41Å
230	T	86.9	Confident	82.9	Confident	58 Å²	58	72.1 Å²	72.1	36%	0.356	41%	0.414	S	S	.	.	S	Bend	trans	-132.4	152.5	175.2	69.6	0	0	0	0	111	E232 T233 C234	T230-E232 VanDerWaalsContact C-N 3.31Å; T230-E232 PolarHBondContact O-N 2.81Å; T230-T233 PolarHBondContact N-OG1 3.23Å; T230-T233 PolarHBondContact O-N 3.26Å; T230-T233 PolarHBondContact O-OG1 2.9Å; T230-T233 VanDerWaalsContact O-OG1 3.07Å; T230-T233 WeakPolarHBondContact OG1-CB 3.49Å; T230-T233 VanDerWaalsContact OG1-CG2 3.27Å; T230-T233 WeakPolarHBondContact OG1-CG2 3.26Å; T230-T233 PolarHBondContact OG1-N 3.28Å; T230-T233 PolarHBondContact OG1-OG1 2.94Å; T230-C234 VanDerWaalsContact O-CB 3.26Å; T230-C234 WeakPolarHBondContact O-CB 3.15Å; T230-C234 PolarHBondContact O-N 2.91Å
231	N	89.4	Confident	81.9	Confident	53 Å²	53	76 Å²	76	28%	0.283	43%	0.426	S	S	.	.	H	α-helix	trans	-54.5	-48.1	176.1	-173.5	12.7	0	0	0	111.8	T233 C234 Q235 W246	N231-T233 PolarHBondContact O-N 2.86Å; N231-C234 WeakPolarHBondContact O-CB 3.39Å; N231-C234 PolarHBondContact O-N 2.86Å; N231-Q235 WeakPolarHBondContact O-CB 3.42Å; N231-Q235 WeakPolarHBondContact O-CG 3.34Å; N231-Q235 PolarHBondContact O-N 2.04Å; N231-Q235 VanDerWaalsContact OD1-CD 3.27Å; N231-Q235 WeakPolarHBondContact OD1-CG 3.19Å; N231-Q235 PolarHBondContact OD1-NE2 3.47Å; N231-W246 VanDerWaalsContact CA-CD2 3.44Å; N231-W246 HydrophobicContact CB-CB 4.26Å; N231-W246 HydrophobicContact CB-CD2 3.8Å; N231-W246 HydrophobicContact CB-CE3 4.49Å; N231-W246 HydrophobicContact CB-CG 3.66Å; N231-W246 WeakPolarHBondContact OD1-CB 3.28Å
232	E	89.3	Confident	81.5	Confident	140 Å²	140	75 Å²	75	65%	0.654	42%	0.421	S	S	*	.	H	α-helix	trans	-60.8	-46.4	-179.9	-175	-178.2	-177.2	0	0	112.4	T230 C234 Q235 N236	T230-E232 VanDerWaalsContact C-N 3.31Å; T230-E232 PolarHBondContact O-N 2.81Å; E232-C234 VanDerWaalsContact C-N 3.31Å; E232-C234 PolarHBondContact O-N 3.02Å; E232-Q235 PolarHBondContact O-N 2.85Å; E232-N236 WeakPolarHBondContact O-CB 3.41Å; E232-N236 PolarHBondContact O-N 3.3Å; E232-N236 PolarHBondContact O-ND2 3.08Å
233	T	89.5	Confident	81.8	Confident	55 Å²	55	76 Å²	76	34%	0.337	41%	0.412	S	S	.	.	H	α-helix	trans	-69.1	-32.9	179.4	57.7	0	0	0	0	112.1	T230 N231 A237	T230-T233 PolarHBondContact N-OG1 3.23Å; T230-T233 PolarHBondContact O-N 3.26Å; T230-T233 PolarHBondContact O-OG1 2.9Å; T230-T233 VanDerWaalsContact O-OG1 3.07Å; T230-T233 WeakPolarHBondContact OG1-CB 3.49Å; T230-T233 VanDerWaalsContact OG1-CG2 3.27Å; T230-T233 WeakPolarHBondContact OG1-CG2 3.26Å; T230-T233 PolarHBondContact OG1-N 3.28Å; T230-T233 PolarHBondContact OG1-OG1 2.94Å; N231-T233 PolarHBondContact O-N 2.86Å; T233-A237 PolarHBondContact O-N 2.86Å; T233-A237 VanDerWaalsContact O-N 3.14Å
234	C	88.7	Confident	82.3	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.007	39%	0.392	C	S	.	.	H	α-helix	trans	-66.6	-45.9	174.5	-177.1	0	0	0	0	112.6	T230 N231 E232 A237 F245 W246 C253	T230-C234 VanDerWaalsContact O-CB 3.26Å; T230-C234 WeakPolarHBondContact O-CB 3.15Å; T230-C234 PolarHBondContact O-N 2.91Å; N231-C234 WeakPolarHBondContact O-CB 3.39Å; N231-C234 PolarHBondContact O-N 2.86Å; E232-C234 VanDerWaalsContact C-N 3.31Å; E232-C234 PolarHBondContact O-N 3.02Å; C234-A237 WeakPolarHBondContact O-CB 3.42Å; C234-A237 PolarHBondContact O-N 2.91Å; C234-F245 PolarHBondContact SG-O 3.14Å; C234-W246 HydrophobicContact CB-CB 4.39Å; C234-W246 HydrophobicContact CB-CE3 3.75Å; C234-W246 PolarHBondContact SG-N 2.9Å; C234-C253 WeakPolarHBondContact CA-SG 3.41Å; C234-C253 HydrophobicContact CB-CB 3.52Å; C234-C253 WeakPolarHBondContact CB-SG 3.37Å; C234-C253 WeakPolarHBondContact SG-CA 3.47Å; C234-C253 WeakPolarHBondContact SG-CB 3.18Å; C234-C253 CovalentContact SG-SG 2.02Å; C234-C253 PolarHBondContact SG-SG 3.03Å
235	Q	87.5	Confident	82.9	Confident	133 Å²	133	70.2 Å²	70.2	62%	0.621	39%	0.387	S	S	*	.	H	α-helix	trans	-68.9	-34.6	179.6	-71.3	-176.6	-2.4	0	0	112.2	N231 E232 A237	N231-Q235 WeakPolarHBondContact O-CB 3.42Å; N231-Q235 WeakPolarHBondContact O-CG 3.34Å; N231-Q235 PolarHBondContact O-N 2.04Å; N231-Q235 VanDerWaalsContact OD1-CD 3.27Å; N231-Q235 WeakPolarHBondContact OD1-CG 3.19Å; N231-Q235 PolarHBondContact OD1-NE2 3.47Å; E232-Q235 PolarHBondContact O-N 2.85Å; Q235-A237 VanDerWaalsContact C-N 3.27Å; Q235-A237 PolarHBondContact O-N 2.79Å
236	N	87.4	Confident	83.3	Confident	114 Å²	114	72.6 Å²	72.6	61%	0.61	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.7	176.5	-67.8	-31.9	0	0	0	113.4	E232 T238	E232-N236 WeakPolarHBondContact O-CB 3.41Å; E232-N236 PolarHBondContact O-N 3.3Å; E232-N236 PolarHBondContact O-ND2 3.08Å; N236-T238 PolarHBondContact O-N 3Å; N236-T238 VanDerWaalsContact O-N 3.11Å
237	A	84.9	Confident	83.8	Confident	16 Å²	16	69.1 Å²	69.1	13%	0.132	37%	0.372	C	S	.	.			trans	-65.5	112.4	-177.9	0	0	0	0	0	111	Y228 T233 C234 Q235 C244	Y228-A237 HydrophobicContact CD2-CB 3.66Å; Y228-A237 HydrophobicContact CE1-CB 4.27Å; Y228-A237 HydrophobicContact CE2-CB 3.25Å; Y228-A237 HydrophobicContact CG-CB 4.33Å; T233-A237 PolarHBondContact O-N 2.86Å; T233-A237 VanDerWaalsContact O-N 3.14Å; C234-A237 WeakPolarHBondContact O-CB 3.42Å; C234-A237 PolarHBondContact O-N 2.91Å; Q235-A237 VanDerWaalsContact C-N 3.27Å; Q235-A237 PolarHBondContact O-N 2.79Å; A237-C244 HydrophobicContact CB-CB 4.29Å
238	T	81.6	Confident	84.4	Confident	134 Å²	134	72.5 Å²	72.5	82%	0.822	39%	0.388	S	S	*	.			trans	-98	101.2	171.2	-51.7	0	0	0	0	108.9	N236	N236-T238 PolarHBondContact O-N 3Å; N236-T238 VanDerWaalsContact O-N 3.11Å
239	I	78.7	Confident	84.5	Confident	20 Å²	20	77.5 Å²	77.5	10%	0.103	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-120.3	132.7	175.7	-47	178.5	0	0	0	108.5	K223 Y228 N241 L242 C244	K223-I239 WeakPolarHBondContact O-CG2 3.43Å; Y228-I239 HydrophobicContact CE2-CD1 3.99Å; Y228-I239 HydrophobicContact CE2-CG1 4.39Å; I239-N241 PolarHBondContact O-N 2.81Å; I239-L242 HydrophobicContact CB-CB 4.13Å; I239-L242 HydrophobicContact CG2-CB 4.16Å; I239-L242 HydrophobicContact CG2-CD1 3.95Å; I239-L242 HydrophobicContact CG2-CG 4.44Å; I239-L242 PolarHBondContact O-N 2.82Å; I239-C244 VanDerWaalsContact CD1-SG 3.59Å
240	P	74.3	Confident	84.3	Confident	106 Å²	106	75.3 Å²	75.3	69%	0.688	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	134.8	175.2	-24.6	34.2	0	0	0	111.9	L242	P240-L242 PolarHBondContact O-N 3.22Å
241	N	70.4	Confident	84.2	Confident	141 Å²	141	79.8 Å²	79.8	75%	0.754	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	8.2	176.8	-57.1	-30.6	0	0	0	116.7	I239	I239-N241 PolarHBondContact O-N 2.81Å
242	L	78.9	Confident	84	Confident	14 Å²	14	83.7 Å²	83.7	7%	0.073	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-128.2	125.2	-177.5	-64.4	176	0	0	0	111	I42 L52 I239 P240 I255	I42-L242 HydrophobicContact CD1-CD2 4.13Å; I42-L242 HydrophobicContact CG1-CD2 4.4Å; L52-L242 HydrophobicContact CD1-CD1 3.71Å; L52-L242 HydrophobicContact CD1-CD2 3.68Å; L52-L242 HydrophobicContact CD1-CG 4.36Å; L52-L242 HydrophobicContact CD2-CD1 4.25Å; L52-L242 HydrophobicContact CG-CD2 4.45Å; I239-L242 HydrophobicContact CB-CB 4.13Å; I239-L242 HydrophobicContact CG2-CB 4.16Å; I239-L242 HydrophobicContact CG2-CD1 3.95Å; I239-L242 HydrophobicContact CG2-CG 4.44Å; I239-L242 PolarHBondContact O-N 2.82Å; P240-L242 PolarHBondContact O-N 3.22Å; L242-I255 HydrophobicContact CD2-CG2 4.21Å
243	T	82.8	Confident	83.7	Confident	97 Å²	97	77 Å²	77	60%	0.595	40%	0.395	S	S	*	.			trans	-101.4	116.8	171	-60.5	0	0	0	0	108.9	S256	T243-S256 VanDerWaalsContact CB-OG 3.32Å; T243-S256 WeakPolarHBondContact CB-OG 3.36Å; T243-S256 WeakPolarHBondContact O-CB 3.47Å; T243-S256 PolarHBondContact O-N 2.67Å; T243-S256 PolarHBondContact O-OG 2.77Å
244	C	85.5	Confident	83.3	Confident	18 Å²	18	75.4 Å²	75.4	12%	0.122	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	145.7	177.8	-56	0	0	0	0	111.2	C225 A237 I239 I254	C225-C244 WeakPolarHBondContact CA-SG 3.45Å; C225-C244 HydrophobicContact CB-CB 3.71Å; C225-C244 WeakPolarHBondContact CB-SG 3.36Å; C225-C244 WeakPolarHBondContact SG-CA 3.43Å; C225-C244 WeakPolarHBondContact SG-CB 3.37Å; C225-C244 CovalentContact SG-SG 2.03Å; C225-C244 PolarHBondContact SG-SG 3.4Å; A237-C244 HydrophobicContact CB-CB 4.29Å; I239-C244 VanDerWaalsContact CD1-SG 3.59Å; C244-I254 CarbonylContact C-O 3.52Å; C244-I254 WeakPolarHBondContact CA-O 3.43Å
245	F	88.6	Confident	82.9	Confident	48 Å²	48	75.6 Å²	75.6	21%	0.211	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.3	170.7	79.5	-86.1	0	0	0	110.9	C234 C247 I254 I255 S256 T261 C264	C234-F245 PolarHBondContact SG-O 3.14Å; F245-C247 HydrophobicContact CE2-CB 4.38Å; F245-I254 HydrophobicContact CD1-CD1 4.41Å; F245-I254 HydrophobicContact CD1-CG1 3.82Å; F245-I254 VanDerWaalsContact CD1-O 3.28Å; F245-I254 WeakPolarHBondContact CD1-O 3.25Å; F245-I254 HydrophobicContact CD2-CD1 4.33Å; F245-I254 HydrophobicContact CD2-CG1 4Å; F245-I254 HydrophobicContact CE1-CB 4.24Å; F245-I254 HydrophobicContact CE1-CD1 3.53Å; F245-I254 HydrophobicContact CE1-CG1 3.39Å; F245-I254 HydrophobicContact CE2-CD1 3.41Å; F245-I254 VanDerWaalsContact CE2-CD1 3.41Å; F245-I254 HydrophobicContact CE2-CG1 3.57Å; F245-I254 HydrophobicContact CG-CG1 4.15Å; F245-I254 HydrophobicContact CZ-CB 4.49Å; F245-I254 HydrophobicContact CZ-CD1 2.97Å; F245-I254 HydrophobicContact CZ-CG1 3.3Å; F245-I254 PolarHBondContact N-O 2.87Å; F245-I254 PolarHBondContact O-N 2.82Å; F245-I255 WeakPolarHBondContact CE1-O 3.3Å; F245-S256 VanDerWaalsContact CD1-CA 3.44Å; F245-T261 HydrophobicContact CE1-CG2 3.51Å; F245-T261 HydrophobicContact CZ-CG2 3.48Å; F245-T261 VanDerWaalsContact CZ-CG2 3.48Å; F245-C264 HydrophobicContact CE2-CB 3.75Å; F245-C264 HydrophobicContact CZ-CB 4.16Å
246	W	88.6	Confident	82.3	Confident	49 Å²	49	71.4 Å²	71.4	19%	0.186	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	126	177.3	-174.4	-104	0	0	0	110.3	N229 N231 C234 E251 C253	N229-W246 WeakPolarHBondContact O-CH2 3.41Å; N231-W246 VanDerWaalsContact CA-CD2 3.44Å; N231-W246 HydrophobicContact CB-CB 4.26Å; N231-W246 HydrophobicContact CB-CD2 3.8Å; N231-W246 HydrophobicContact CB-CE3 4.49Å; N231-W246 HydrophobicContact CB-CG 3.66Å; N231-W246 WeakPolarHBondContact OD1-CB 3.28Å; C234-W246 HydrophobicContact CB-CB 4.39Å; C234-W246 HydrophobicContact CB-CE3 3.75Å; C234-W246 PolarHBondContact SG-N 2.9Å; W246-E251 VanDerWaalsContact CH2-O 3.3Å; W246-E251 WeakPolarHBondContact CH2-O 3.5Å; W246-E251 HydrophobicContact CZ2-CB 4.31Å; W246-C253 HydrophobicContact CE3-CB 3.99Å; W246-C253 HydrophobicContact CZ3-CB 4.2Å
247	C	85.7	Confident	81.3	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.007	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.9	169.8	179.2	0	0	0	0	109.9	F245 K249 K250 E251 K252 I254 C264	F245-C247 HydrophobicContact CE2-CB 4.38Å; C247-K249 PolarHBondContact O-N 2.82Å; C247-K250 HydrophobicContact CB-CB 4.34Å; C247-K250 PolarHBondContact O-N 3.3Å; C247-E251 WeakPolarHBondContact O-CA 3.05Å; C247-E251 PolarHBondContact O-N 3.3Å; C247-K252 PolarHBondContact N-O 2.84Å; C247-K252 PolarHBondContact O-N 3.29Å; C247-I254 HydrophobicContact CB-CD1 3.75Å; C247-I254 HydrophobicContact CB-CG1 3.99Å; C247-C264 HydrophobicContact CB-CB 3.69Å; C247-C264 WeakPolarHBondContact CB-SG 3.09Å; C247-C264 WeakPolarHBondContact SG-CB 3.09Å; C247-C264 CovalentContact SG-SG 2.03Å; C247-C264 PolarHBondContact SG-SG 3.25Å
248	E	87.5	Confident	80	Confident	154 Å²	154	68.7 Å²	68.7	72%	0.72	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-42.3	179	-67.6	-163.6	170.4	0	0	112.3	K250 E251	E248-K250 VanDerWaalsContact C-N 3.28Å; E248-K250 PolarHBondContact O-N 2.61Å; E248-E251 PolarHBondContact O-N 3Å
249	K	84.1	Confident	78.7	Confident	143 Å²	143	70.3 Å²	70.3	62%	0.622	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-35	-179.2	-169.2	-176.4	-176.9	-166.7	0	113.4	C247 D263	C247-K249 PolarHBondContact O-N 2.82Å; K249-D263 WeakPolarHBondContact CD-O 3.05Å; K249-D263 IonicContact NZ-OD1 2.81Å; K249-D263 PolarHBondContact NZ-OD1 2.97Å; K249-D263 IonicContact NZ-OD2 2.85Å; K249-D263 PolarHBondContact NZ-OD2 3.13Å
250	K	81	Confident	77.4	Confident	86 Å²	86	73 Å²	73	37%	0.374	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.5	-179.6	-67.5	-176.2	177.5	176.8	0	113	C247 E248 K252	C247-K250 HydrophobicContact CB-CB 4.34Å; C247-K250 PolarHBondContact O-N 3.3Å; E248-K250 VanDerWaalsContact C-N 3.28Å; E248-K250 PolarHBondContact O-N 2.61Å; K250-K252 HydrophobicContact CB-CB 4.31Å; K250-K252 WeakPolarHBondContact O-CG 3.37Å; K250-K252 PolarHBondContact O-N 3Å
251	E	84.4	Confident	76.4	Confident	152 Å²	152	68.3 Å²	68.3	71%	0.71	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	40.5	-170.2	-59.8	-175.5	158.2	0	0	113	W246 C247 E248	W246-E251 VanDerWaalsContact CH2-O 3.3Å; W246-E251 WeakPolarHBondContact CH2-O 3.5Å; W246-E251 HydrophobicContact CZ2-CB 4.31Å; C247-E251 WeakPolarHBondContact O-CA 3.05Å; C247-E251 PolarHBondContact O-N 3.3Å; E248-E251 PolarHBondContact O-N 3Å
252	K	83.9	Confident	75.7	Confident	135 Å²	135	68.8 Å²	68.8	59%	0.587	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	143	-174.5	-78	175.9	-176.8	-176.2	0	111.4	C247 K250 I254	C247-K252 PolarHBondContact N-O 2.84Å; C247-K252 PolarHBondContact O-N 3.29Å; K250-K252 HydrophobicContact CB-CB 4.31Å; K250-K252 WeakPolarHBondContact O-CG 3.37Å; K250-K252 PolarHBondContact O-N 3Å; K252-I254 HydrophobicContact CB-CG2 4.43Å
253	C	83	Confident	74.9	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.007	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	122.4	169	-171.4	0	0	0	0	110.1	C225 S226 Y228 C234 W246	C225-C253 CarbonylContact C-O 3.56Å; C225-C253 WeakPolarHBondContact O-CB 3.33Å; C225-C253 PolarHBondContact O-SG 2.95Å; S226-C253 WeakPolarHBondContact CA-O 3.01Å; S226-C253 PolarHBondContact N-O 2.88Å; Y228-C253 VanDerWaalsContact O-CB 3.25Å; Y228-C253 WeakPolarHBondContact O-CB 3.41Å; C234-C253 WeakPolarHBondContact CA-SG 3.41Å; C234-C253 HydrophobicContact CB-CB 3.52Å; C234-C253 WeakPolarHBondContact CB-SG 3.37Å; C234-C253 WeakPolarHBondContact SG-CA 3.47Å; C234-C253 WeakPolarHBondContact SG-CB 3.18Å; C234-C253 CovalentContact SG-SG 2.02Å; C234-C253 PolarHBondContact SG-SG 3.03Å; W246-C253 HydrophobicContact CE3-CB 3.99Å; W246-C253 HydrophobicContact CZ3-CB 4.2Å
254	I	82.5	Confident	74.2	Confident	20 Å²	20	68.7 Å²	68.7	10%	0.103	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	161	-174.9	51	167.9	0	0	0	111.4	C244 F245 C247 K252 C264	C244-I254 CarbonylContact C-O 3.52Å; C244-I254 WeakPolarHBondContact CA-O 3.43Å; F245-I254 HydrophobicContact CD1-CD1 4.41Å; F245-I254 HydrophobicContact CD1-CG1 3.82Å; F245-I254 VanDerWaalsContact CD1-O 3.28Å; F245-I254 WeakPolarHBondContact CD1-O 3.25Å; F245-I254 HydrophobicContact CD2-CD1 4.33Å; F245-I254 HydrophobicContact CD2-CG1 4Å; F245-I254 HydrophobicContact CE1-CB 4.24Å; F245-I254 HydrophobicContact CE1-CD1 3.53Å; F245-I254 HydrophobicContact CE1-CG1 3.39Å; F245-I254 HydrophobicContact CE2-CD1 3.41Å; F245-I254 VanDerWaalsContact CE2-CD1 3.41Å; F245-I254 HydrophobicContact CE2-CG1 3.57Å; F245-I254 HydrophobicContact CG-CG1 4.15Å; F245-I254 HydrophobicContact CZ-CB 4.49Å; F245-I254 HydrophobicContact CZ-CD1 2.97Å; F245-I254 HydrophobicContact CZ-CG1 3.3Å; F245-I254 PolarHBondContact N-O 2.87Å; F245-I254 PolarHBondContact O-N 2.82Å; C247-I254 HydrophobicContact CB-CD1 3.75Å; C247-I254 HydrophobicContact CB-CG1 3.99Å; K252-I254 HydrophobicContact CB-CG2 4.43Å; I254-C264 HydrophobicContact CD1-CB 4.09Å
255	I	80	Confident	73	Confident	5 Å²	5	75.9 Å²	75.9	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.7	-178.9	-60.5	153.7	0	0	0	109.2	I40 I42 L52 C225 L242 F245 S257 N258	I40-I255 HydrophobicContact CD1-CD1 3.53Å; I42-I255 HydrophobicContact CD1-CG2 4.07Å; L52-I255 HydrophobicContact CD1-CD1 3.5Å; C225-I255 HydrophobicContact CB-CG1 3.93Å; C225-I255 VanDerWaalsContact SG-CG1 3.52Å; L242-I255 HydrophobicContact CD2-CG2 4.21Å; F245-I255 WeakPolarHBondContact CE1-O 3.3Å; I255-S257 WeakPolarHBondContact CG2-OG 3.42Å; I255-S257 PolarHBondContact O-N 3.35Å; I255-S257 VanDerWaalsContact O-N 3.16Å; I255-N258 VanDerWaalsContact O-CB 3.29Å; I255-N258 WeakPolarHBondContact O-CB 3.47Å; I255-N258 PolarHBondContact O-N 3.25Å
256	S	74.4	Confident	71.3	Confident	46 Å²	46	79.5 Å²	79.5	32%	0.322	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.4	-177.5	56.9	0	0	0	0	115.4	T243 F245 N258 T261	T243-S256 VanDerWaalsContact CB-OG 3.32Å; T243-S256 WeakPolarHBondContact CB-OG 3.36Å; T243-S256 WeakPolarHBondContact O-CB 3.47Å; T243-S256 PolarHBondContact O-N 2.67Å; T243-S256 PolarHBondContact O-OG 2.77Å; F245-S256 VanDerWaalsContact CD1-CA 3.44Å; S256-N258 VanDerWaalsContact C-N 3.35Å; S256-T261 WeakPolarHBondContact O-CG2 3.25Å
257	S	67.4	Low	69	Low	51 Å²	51	85.2 Å²	85.2	36%	0.357	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.8	178.3	63.5	0	0	0	0	114	I42 I255	I42-S257 VanDerWaalsContact CD1-OG 3.24Å; I42-S257 WeakPolarHBondContact CD1-OG 3.19Å; I255-S257 WeakPolarHBondContact CG2-OG 3.42Å; I255-S257 PolarHBondContact O-N 3.35Å; I255-S257 VanDerWaalsContact O-N 3.16Å
258	N	56.5	Low	66.6	Low	22 Å²	22	94.7 Å²	94.7	12%	0.118	45%	0.454	C	S	.	.			trans	-69.5	137.9	-173.6	-157.8	1.9	0	0	0	111.2	I255 S256 D260 T261	I255-N258 VanDerWaalsContact O-CB 3.29Å; I255-N258 WeakPolarHBondContact O-CB 3.47Å; I255-N258 PolarHBondContact O-N 3.25Å; S256-N258 VanDerWaalsContact C-N 3.35Å; N258-D260 HydrophobicContact CB-CB 4.47Å; N258-D260 PolarHBondContact ND2-OD2 3.4Å; N258-D260 PolarHBondContact O-N 3.09Å; N258-T261 VanDerWaalsContact O-CB 3.26Å; N258-T261 WeakPolarHBondContact O-CB 3.41Å; N258-T261 WeakPolarHBondContact O-CG2 3.37Å; N258-T261 PolarHBondContact O-N 2.9Å; N258-T261 PolarHBondContact O-OG1 3.12Å
259	Q	54	Low	63.9	Low	167 Å²	167	92.8 Å²	92.8	78%	0.78	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-61.1	-23.3	173.2	-76.2	-179	-5.2	0	0	111.6	T261 H262	Q259-T261 PolarHBondContact O-N 2.76Å; Q259-H262 PolarHBondContact O-CD2 2.82Å; Q259-H262 PolarHBondContact O-N 2.85Å
260	D	51.7	Low	61.7	Low	77 Å²	77	90.6 Å²	90.6	41%	0.412	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-62.6	-2.7	170.7	-68.5	-40.4	0	0	0	114.7	N258 H262	N258-D260 HydrophobicContact CB-CB 4.47Å; N258-D260 PolarHBondContact ND2-OD2 3.4Å; N258-D260 PolarHBondContact O-N 3.09Å; D260-H262 PolarHBondContact O-N 2.81Å
261	T	52.6	Low	59.2	Low	7 Å²	7	94.2 Å²	94.2	4%	0.043	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-63.2	-19.5	173.2	50.9	0	0	0	0	113.5	F245 S256 N258 Q259 D263 C264 R265	F245-T261 HydrophobicContact CE1-CG2 3.51Å; F245-T261 HydrophobicContact CZ-CG2 3.48Å; F245-T261 VanDerWaalsContact CZ-CG2 3.48Å; S256-T261 WeakPolarHBondContact O-CG2 3.25Å; N258-T261 VanDerWaalsContact O-CB 3.26Å; N258-T261 WeakPolarHBondContact O-CB 3.41Å; N258-T261 WeakPolarHBondContact O-CG2 3.37Å; N258-T261 PolarHBondContact O-N 2.9Å; N258-T261 PolarHBondContact O-OG1 3.12Å; Q259-T261 PolarHBondContact O-N 2.76Å; T261-D263 PolarHBondContact O-N 2.91Å; T261-C264 PolarHBondContact O-N 2.9Å; T261-C264 VanDerWaalsContact O-N 3.15Å; T261-R265 WeakPolarHBondContact O-CB 3.45Å; T261-R265 WeakPolarHBondContact O-CG 3.49Å; T261-R265 PolarHBondContact O-N 2.8Å
262	H	55.8	Low	56.8	Low	152 Å²	152	93 Å²	93	70%	0.704	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-56.5	-37.6	-178.4	-72.1	-63.3	0	0	0	113.2	Q259 D260	Q259-H262 PolarHBondContact O-CD2 2.82Å; Q259-H262 PolarHBondContact O-N 2.85Å; D260-H262 PolarHBondContact O-N 2.81Å
263	D	62.6	Low	54.3	Low	90 Å²	90	92.9 Å²	92.9	48%	0.481	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-89	-8.6	-174.8	-139.4	27.2	0	0	0	113.4	K249 T261	K249-D263 WeakPolarHBondContact CD-O 3.05Å; K249-D263 IonicContact NZ-OD1 2.81Å; K249-D263 PolarHBondContact NZ-OD1 2.97Å; K249-D263 IonicContact NZ-OD2 2.85Å; K249-D263 PolarHBondContact NZ-OD2 3.13Å; T261-D263 PolarHBondContact O-N 2.91Å
264	C	68.7	Low	51.7	Low	18 Å²	18	100 Å²	100	12%	0.122	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-15.2	-177	-61	0	0	0	0	113.4	F245 C247 I254 T261 V266	F245-C264 HydrophobicContact CE2-CB 3.75Å; F245-C264 HydrophobicContact CZ-CB 4.16Å; C247-C264 HydrophobicContact CB-CB 3.69Å; C247-C264 WeakPolarHBondContact CB-SG 3.09Å; C247-C264 WeakPolarHBondContact SG-CB 3.09Å; C247-C264 CovalentContact SG-SG 2.03Å; C247-C264 PolarHBondContact SG-SG 3.25Å; I254-C264 HydrophobicContact CD1-CB 4.09Å; T261-C264 PolarHBondContact O-N 2.9Å; T261-C264 VanDerWaalsContact O-N 3.15Å; C264-V266 VanDerWaalsContact C-N 3.29Å; C264-V266 PolarHBondContact O-N 2.76Å
265	R	61.1	Low	49.1	Very low	169 Å²	169	106.9 Å²	106.9	64%	0.638	56%	0.562	S	S	*	*			trans	-70.9	92.4	167.3	-79.7	178.8	-176.2	174.6	5.5	107.1	T261 E267	T261-R265 WeakPolarHBondContact O-CB 3.45Å; T261-R265 WeakPolarHBondContact O-CG 3.49Å; T261-R265 PolarHBondContact O-N 2.8Å; R265-E267 PolarHBondContact O-N 2.84Å
266	V	52.7	Low	46.8	Very low	125 Å²	125	111.8 Å²	111.8	76%	0.758	60%	0.597	S	S	*	*			trans	-57.9	111.4	157.4	-176.6	0	0	0	0	104.9	C264 K268	C264-V266 VanDerWaalsContact C-N 3.29Å; C264-V266 PolarHBondContact O-N 2.76Å; V266-K268 VanDerWaalsContact C-N 3.33Å; V266-K268 PolarHBondContact O-N 2.81Å
267	E	39.6	Very low	44.4	Very low	168 Å²	168	116.6 Å²	116.6	79%	0.785	62%	0.624	S	S	*	*			trans	-50.4	111.6	157.8	-82.9	-175	163.4	0	0	104.5	R265 T269	R265-E267 PolarHBondContact O-N 2.84Å; E267-T269 PolarHBondContact O-N 2.82Å
268	K	34.7	Very low	42.5	Very low	201 Å²	201	119.3 Å²	119.3	87%	0.874	64%	0.643	S	S	*	*			trans	-61	89	166.4	-85	-176.5	174.5	-179.3	0	105.4	V266 S270	V266-K268 VanDerWaalsContact C-N 3.33Å; V266-K268 PolarHBondContact O-N 2.81Å; K268-S270 PolarHBondContact O-N 3.07Å
269	T	32	Very low	41.1	Very low	114 Å²	114	124.4 Å²	124.4	70%	0.699	68%	0.675	S	S	*	*			trans	-60	102.8	154.9	43.6	0	0	0	0	103.7	E267 D271	E267-T269 PolarHBondContact O-N 2.82Å; T269-D271 PolarHBondContact O-N 2.84Å; T269-D271 VanDerWaalsContact O-N 3.16Å
270	S	37.5	Very low	39.9	Very low	96 Å²	96	122.1 Å²	122.1	67%	0.671	68%	0.675	S	S	*	*			trans	-38.4	123.1	170.5	43	0	0	0	0	108.9	K268 V272	K268-S270 PolarHBondContact O-N 3.07Å; S270-V272 VanDerWaalsContact C-N 3.29Å; S270-V272 PolarHBondContact O-N 2.87Å
271	D	28.9	Very low	38.7	Very low	162 Å²	162	126.6 Å²	126.6	87%	0.866	70%	0.697	S	S	*	*			trans	-49.9	93.2	172.1	-67.1	-58	0	0	0	109.5	T269 N273	T269-D271 PolarHBondContact O-N 2.84Å; T269-D271 VanDerWaalsContact O-N 3.16Å; D271-N273 PolarHBondContact O-N 2.84Å
272	V	33.7	Very low	37.3	Very low	127 Å²	127	134.8 Å²	134.8	77%	0.77	73%	0.732	S	S	*	*			trans	-91.6	96.1	161.5	179.5	0	0	0	0	105	S270 D274	S270-V272 VanDerWaalsContact C-N 3.29Å; S270-V272 PolarHBondContact O-N 2.87Å; V272-D274 PolarHBondContact O-N 2.83Å
273	N	30.1	Very low	35.8	Very low	132 Å²	132	134.2 Å²	134.2	71%	0.706	73%	0.734	S	S	*	*			trans	-31.5	123.5	148.8	-68.6	-28.9	0	0	0	109.5	D271	D271-N273 PolarHBondContact O-N 2.84Å
274	D	28.9	Very low	34.1	Very low	152 Å²	152	137.7 Å²	137.7	81%	0.813	75%	0.751	S	S	*	*				-173.2	137.2	103.2	-104.7	-32.5	0	0	0	114.5	V272 S276	V272-D274 PolarHBondContact O-N 2.83Å; D274-S276 PolarHBondContact O-N 2.82Å
275	L	27.3	Very low	31.8	Very low	163 Å²	163	145.2 Å²	145.2	85%	0.853	79%	0.785	S	S	*	*			trans	-58.7	111.9	155.6	-178.9	80.3	0	0	0	109.4
276	S	32	Very low	30.2	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	79%	0.791	S	S	*	*			trans	174	129	131.5	43.8	0	0	0	0	113.5	D274	D274-S276 PolarHBondContact O-N 2.82Å
277	T	25.2	Very low	28.8	Very low	146 Å²	146	142.3 Å²	142.3	90%	0.896	79%	0.786	S	S	*	*			trans	-60.5	126.4	161.2	23.3	0	0	0	0	112.7
278	S	27.8	Very low	28.1	Very low	109 Å²	109	142.3 Å²	142.3	76%	0.762	79%	0.791	S	S	*	*			trans	175	111.9	131.3	174.8	0	0	0	0	112.2
279	T	26.3	Very low	27.5	Very low	128 Å²	128	137.7 Å²	137.7	79%	0.785	78%	0.779	S	S	*	*			trans	47.6	134.4	139.5	-40.5	0	0	0	0	121.4
280	P	29	Very low	27.2	Very low	120 Å²	120	137.7 Å²	137.7	78%	0.779	78%	0.784	S	S	*	*			trans	-91.2	144.8	-160.4	35.6	-33.9	0	0	0	114.8
281	I	27.4	Very low	26.5	Very low	171 Å²	171	139.3 Å²	139.3	88%	0.877	79%	0.79	S	S	*	*			trans	-123.1	130.5	161.7	-65.2	176.8	0	0	0	108.5
282	K	23.2	Very low	26.2	Very low	179 Å²	179	140.3 Å²	140.3	78%	0.778	79%	0.79	S	S	*	*			trans	-61.4	147.1	177.4	-78.8	179.6	171.5	-175.6	0	113.5
283	D	22.9	Very low	25.7	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	79%	0.787	S	S	*	*			trans	48.6	104.2	144.2	-50.6	-30.4	0	0	0	117.9
284	I	26.6	Very low	25.2	Very low	164 Å²	164	142.7 Å²	142.7	84%	0.841	80%	0.796	S	S	*	*				-138.7	117.3	129.6	-84.5	156.7	0	0	0	107.6
285	E	21.9	Very low	24.9	Very low	175 Å²	175	142 Å²	142	82%	0.818	80%	0.797	S	S	*	*			trans	-61.3	130.9	168.1	-171.3	175.7	-166.2	0	0	110.6
286	T	27	Very low	24.7	Very low	127 Å²	127	139 Å²	139	78%	0.779	79%	0.789	S	S	*	*			trans	-142.8	106.1	158.6	-50.5	0	0	0	0	110.2
287	T	22.3	Very low	24.2	Very low	106 Å²	106	142.3 Å²	142.3	65%	0.65	79%	0.793	S	S	*	*			trans	-38.1	124.6	165.4	-45.6	0	0	0	0	114.4
288	L	24.7	Very low	24.1	Very low	168 Å²	168	142.6 Å²	142.6	88%	0.88	79%	0.789	S	S	*	*			trans	-138.6	78.5	148.3	-80.8	177.1	0	0	0	109.4
289	T	22.7	Very low	23.8	Very low	104 Å²	104	144.8 Å²	144.8	64%	0.638	79%	0.792	S	S	*	*			trans	37.2	91	134.1	-28.3	0	0	0	0	117.9	T291	T289-T291 PolarHBondContact O-N 2.9Å
290	S	25.4	Very low	23.7	Very low	114 Å²	114	146.2 Å²	146.2	80%	0.797	79%	0.793	S	S	*	*			trans	-60.9	121.3	149.2	17	0	0	0	0	109.8
291	T	22.5	Very low	23.2	Very low	131 Å²	131	149 Å²	149	80%	0.804	80%	0.796	S	S	*	*			trans	-94.5	91.8	166.3	-48.7	0	0	0	0	106.7	T289	T289-T291 PolarHBondContact O-N 2.9Å
292	E	23.7	Very low	23	Very low	182 Å²	182	147.1 Å²	147.1	85%	0.85	79%	0.792	S	S	*	*			trans	-107.9	119.7	169.7	-158	172.3	-164.9	0	0	108.3	Q294	E292-Q294 PolarHBondContact O-N 2.67Å
293	V	22.7	Very low	22.9	Very low	119 Å²	119	144 Å²	144	72%	0.721	79%	0.788	S	S	*	*			trans	-73.4	111.6	-174.2	172.1	0	0	0	0	108.8	V295	V293-V295 PolarHBondContact O-N 3.21Å
294	Q	19.3	Very low	22.9	Very low	190 Å²	190	144.5 Å²	144.5	89%	0.888	79%	0.791	S	S	*	*			trans	-73.7	120.2	166.8	-75.7	-157.6	-29.7	0	0	110.2	E292	E292-Q294 PolarHBondContact O-N 2.67Å
295	V	22.7	Very low	22.8	Very low	137 Å²	137	145.9 Å²	145.9	83%	0.83	79%	0.793	S	S	*	*			trans	-94.1	114.7	161.3	177.4	0	0	0	0	107.2	V293	V293-V295 PolarHBondContact O-N 3.21Å
296	S	23.4	Very low	22.8	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	79%	0.79	S	S	*	*			trans	-70.1	130.7	-177.5	47.1	0	0	0	0	113
297	E	20.6	Very low	22.7	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	79%	0.791	S	S	*	*			trans	-83.3	116.4	169.5	-166.9	171	-153.1	0	0	108.9
298	N	24	Very low	22.8	Very low	152 Å²	152	147.4 Å²	147.4	81%	0.813	80%	0.795	S	S	*	*			trans	-111.8	106.8	169.1	-89.9	-16.1	0	0	0	109
299	L	20.6	Very low	22.6	Very low	155 Å²	155	147.2 Å²	147.2	81%	0.812	79%	0.789	S	S	*	*			trans	-58.5	124.9	163.9	-127.7	76	0	0	0	109.6
300	I	24.5	Very low	22.7	Very low	157 Å²	157	150 Å²	150	81%	0.805	80%	0.8	S	S	*	*			trans	-124.4	114.6	153.5	-65.8	179.2	0	0	0	107
301	E	18.9	Very low	22.4	Very low	180 Å²	180	154.1 Å²	154.1	84%	0.841	80%	0.803	S	S	*	*			trans	-72.4	133.1	173.2	-171.2	175.7	-164.4	0	0	109.3
302	T	23.6	Very low	22.3	Very low	130 Å²	130	153.9 Å²	153.9	80%	0.798	80%	0.802	S	S	*	*			trans	-147.6	120.9	156	-13.9	0	0	0	0	110
303	T	21.4	Very low	22.3	Very low	114 Å²	114	150.1 Å²	150.1	70%	0.699	80%	0.795	S	S	*	*			trans	-40	139	177.4	0.8	0	0	0	0	117.6
304	D	21.4	Very low	22.2	Very low	150 Å²	150	152.1 Å²	152.1	80%	0.802	80%	0.802	S	S	*	*			trans	37	113.6	131.6	-63	-23.1	0	0	0	119.9
305	E	25.8	Very low	22.4	Very low	192 Å²	192	149.4 Å²	149.4	90%	0.897	80%	0.798	S	S	*	*				-156.2	133.3	112.8	-128	177.3	176.5	0	0	112.7
306	T	21.1	Very low	22.4	Very low	120 Å²	120	150.4 Å²	150.4	74%	0.736	80%	0.799	S	S	*	*			trans	-49	135.9	172.8	1.1	0	0	0	0	114.9
307	D	26.4	Very low	22.6	Very low	152 Å²	152	153 Å²	153	81%	0.813	81%	0.805	S	S	*	*				-161.9	117.5	118.1	-105.7	-27.5	0	0	0	115.5
308	K	23.3	Very low	22.8	Very low	169 Å²	169	151.9 Å²	151.9	74%	0.735	80%	0.804	S	S	*	*			trans	3.1	138.3	150.7	-81.2	170.9	177	173	0	123.3
309	H	21.5	Very low	23	Very low	164 Å²	164	150.3 Å²	150.3	76%	0.759	81%	0.805	S	S	*	*			trans	74.4	102.1	138	-82.2	-73.2	0	0	0	119.7
310	L	23.1	Very low	23.2	Very low	163 Å²	163	149 Å²	149	85%	0.853	80%	0.803	S	S	*	*				-164.5	127.5	101.8	-134.6	70.3	0	0	0	110.6
311	K	19.3	Very low	23.4	Very low	199 Å²	199	147 Å²	147	87%	0.865	80%	0.804	S	S	*	*			trans	-105.9	131.1	169.4	-83	-179	174.1	-179.7	0	107.9
312	T	21	Very low	23.7	Very low	127 Å²	127	144.7 Å²	144.7	78%	0.779	80%	0.802	S	S	*	*			trans	-162.7	105.3	145.2	28.4	0	0	0	0	110.2
313	S	23.2	Very low	23.7	Very low	102 Å²	102	144 Å²	144	71%	0.713	80%	0.8	S	S	*	*			trans	25.3	120	135.1	46	0	0	0	0	122.1
314	D	20.3	Very low	23.9	Very low	162 Å²	162	146.8 Å²	146.8	87%	0.866	81%	0.808	S	S	*	*			trans	8.3	118.7	134.2	-54.4	-40.2	0	0	0	119.5
315	V	24.7	Very low	24	Very low	132 Å²	132	148.5 Å²	148.5	80%	0.8	81%	0.809	S	S	*	*			trans	-147.1	122.3	140.6	176.3	0	0	0	0	108.6
316	N	23.1	Very low	24	Very low	158 Å²	158	147 Å²	147	85%	0.845	81%	0.807	S	S	*	*			trans	-65.4	130	161.7	-77.5	-30	0	0	0	109.4
317	D	25.7	Very low	24.1	Very low	156 Å²	156	148.7 Å²	148.7	83%	0.834	81%	0.81	S	S	*	*			trans	-147.1	126.1	149.7	-110.9	-28	0	0	0	111.9	S319	D317-S319 PolarHBondContact O-N 2.82Å
318	L	25.1	Very low	24	Very low	156 Å²	156	150 Å²	150	82%	0.817	81%	0.811	S	S	*	*			trans	-74.2	107.2	-179.8	178.5	72.1	0	0	0	108.7	T320	L318-T320 PolarHBondContact O-N 2.86Å
319	S	29.6	Very low	24.1	Very low	119 Å²	119	147.2 Å²	147.2	83%	0.832	81%	0.808	S	S	*	*			trans	-86.3	97.7	172.6	40.4	0	0	0	0	110.7	D317	D317-S319 PolarHBondContact O-N 2.82Å
320	T	25	Very low	24.1	Very low	126 Å²	126	144.6 Å²	144.6	77%	0.773	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.1	119.2	163.9	11.7	0	0	0	0	110.1	L318	L318-T320 PolarHBondContact O-N 2.86Å
321	S	28.3	Very low	24.2	Very low	117 Å²	117	144.5 Å²	144.5	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-88.8	122.3	168.2	75.8	0	0	0	0	110.8
322	T	23.9	Very low	24.3	Very low	130 Å²	130	140.7 Å²	140.7	80%	0.798	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.3	144.6	178.2	-45.7	0	0	0	0	112.7
323	P	23.6	Very low	24.4	Very low	117 Å²	117	140.1 Å²	140.1	76%	0.76	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-81.4	145.6	-178.6	-6.3	24.4	0	0	0	113.9
324	I	26.4	Very low	24.4	Very low	171 Å²	171	141 Å²	141	88%	0.877	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.8	128.3	174.8	-65	169.8	0	0	0	109.1
325	K	24.4	Very low	24.5	Very low	187 Å²	187	141.9 Å²	141.9	81%	0.813	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-74.1	141.7	-179.3	-79.4	178.8	172.9	-180	0	112.5
326	D	24.7	Very low	24.4	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-51.1	132.3	170.5	-57.6	-61.3	0	0	0	113.1
327	I	24.3	Very low	24.1	Very low	156 Å²	156	142.2 Å²	142.2	80%	0.8	79%	0.794	S	S	*	*			trans	-95.6	94	166.5	-64.3	173.4	0	0	0	106.7	T329	I327-T329 PolarHBondContact O-N 2.85Å
328	E	22.8	Very low	23.9	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	79%	0.79	S	S	*	*			trans	-81	109.6	170.3	-164.6	175.1	-167.1	0	0	108.4
329	T	25.6	Very low	23.8	Very low	109 Å²	109	138.2 Å²	138.2	67%	0.669	79%	0.786	S	S	*	*			trans	-99.4	100.3	177	-52.8	0	0	0	0	109.7	I327 L331	I327-T329 PolarHBondContact O-N 2.85Å; T329-L331 PolarHBondContact O-N 3.38Å
330	T	22.7	Very low	23.4	Very low	110 Å²	110	141.4 Å²	141.4	68%	0.675	79%	0.787	S	S	*	*			trans	-72.8	104.5	172.6	-50.2	0	0	0	0	110.1	T332	T330-T332 PolarHBondContact O-N 2.96Å
331	L	24.8	Very low	23.2	Very low	161 Å²	161	142.9 Å²	142.9	84%	0.843	79%	0.79	S	S	*	*			trans	-87.7	99.3	166.7	-78	168.6	0	0	0	109.3	T329 S333	T329-L331 PolarHBondContact O-N 3.38Å; L331-S333 PolarHBondContact O-N 3.28Å
332	T	21.4	Very low	22.8	Very low	118 Å²	118	145 Å²	145	72%	0.724	79%	0.791	S	S	*	*			trans	-74.1	106	174.6	-28.6	0	0	0	0	109.5	T330 T334	T330-T332 PolarHBondContact O-N 2.96Å; T332-T334 PolarHBondContact O-N 2.83Å; T332-T334 VanDerWaalsContact O-N 3.16Å
333	S	23.9	Very low	22.9	Very low	116 Å²	116	146 Å²	146	81%	0.811	79%	0.791	S	S	*	*			trans	-61.2	109.1	170.1	45.9	0	0	0	0	110.3	L331	L331-S333 PolarHBondContact O-N 3.28Å
334	T	22.4	Very low	22.7	Very low	120 Å²	120	148.7 Å²	148.7	74%	0.736	79%	0.793	S	S	*	*			trans	-91.4	109.9	169.6	-50.6	0	0	0	0	108.1	T332 V336	T332-T334 PolarHBondContact O-N 2.83Å; T332-T334 VanDerWaalsContact O-N 3.16Å; T334-V336 PolarHBondContact O-N 3.46Å
335	E	21.9	Very low	22.6	Very low	180 Å²	180	146 Å²	146	84%	0.841	78%	0.784	S	S	*	*			trans	-71.3	103.7	176.1	-164.1	176.1	-164.3	0	0	108.9
336	V	22.2	Very low	22.5	Very low	116 Å²	116	142.6 Å²	142.6	70%	0.703	78%	0.78	S	S	*	*			trans	-92.6	102.2	174.5	173.4	0	0	0	0	108.1	T334 V338	T334-V336 PolarHBondContact O-N 3.46Å; V336-V338 HydrophobicContact CG1-CG2 3.88Å; V336-V338 PolarHBondContact O-N 3Å
337	Q	17.5	Very low	22.4	Very low	182 Å²	182	142.3 Å²	142.3	85%	0.85	78%	0.778	S	S	*	*			trans	-70	120.2	163.1	-74.5	-157.9	-25.5	0	0	109.5
338	V	22.7	Very low	22.4	Very low	125 Å²	125	143.6 Å²	143.6	76%	0.758	78%	0.781	S	S	*	*			trans	-126.4	118	160.2	177	0	0	0	0	108.3	V336	V336-V338 HydrophobicContact CG1-CG2 3.88Å; V336-V338 PolarHBondContact O-N 3Å
339	S	21.6	Very low	22.6	Very low	103 Å²	103	141 Å²	141	72%	0.72	78%	0.778	S	S	*	*			trans	-67.1	149.5	-179.3	37.1	0	0	0	0	114
340	E	21	Very low	22.5	Very low	186 Å²	186	142.2 Å²	142.2	87%	0.869	78%	0.78	S	S	*	*			trans	-40.5	127.4	165.9	-81.5	167.9	131.8	0	0	113.3
341	N	22.3	Very low	22.7	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	79%	0.785	S	S	*	*			trans	-128.2	107.1	151.2	-89.8	-27.3	0	0	0	108.6
342	L	19.8	Very low	22.6	Very low	161 Å²	161	145.1 Å²	145.1	84%	0.843	78%	0.779	S	S	*	*			trans	-61.9	118.9	167.7	-162.9	81.4	0	0	0	108.7
343	I	25.8	Very low	22.9	Very low	153 Å²	153	148.9 Å²	148.9	79%	0.785	79%	0.785	S	S	*	*			trans	-125.4	103.4	159.3	-62.9	179.9	0	0	0	107.3
344	E	18.3	Very low	22.8	Very low	172 Å²	172	149.5 Å²	149.5	80%	0.804	78%	0.779	S	S	*	*			trans	-78	129.6	168.1	-177.7	178.9	-161.5	0	0	108.4
345	T	24	Very low	23	Very low	114 Å²	114	153.8 Å²	153.8	70%	0.699	78%	0.782	S	S	*	*			trans	-159.8	115.9	156.4	-7	0	0	0	0	112.4
346	T	23.1	Very low	23.2	Very low	116 Å²	116	151.4 Å²	151.4	71%	0.712	78%	0.78	S	S	*	*			trans	61.3	101	141.1	36.3	0	0	0	0	121
347	D	21.8	Very low	23.5	Very low	154 Å²	154	151.1 Å²	151.1	82%	0.824	78%	0.779	S	S	*	*				47.2	137.2	105.2	-74.1	-27	0	0	0	122.7
348	E	24	Very low	24	Very low	183 Å²	183	153.6 Å²	153.6	86%	0.855	78%	0.78	S	S	*	*			trans	74.6	106.2	159.2	-72.6	-172.3	149.5	0	0	118.8
349	T	26.9	Very low	24.4	Very low	126 Å²	126	153.4 Å²	153.4	77%	0.773	78%	0.779	S	S	*	*				175.7	110.1	90.9	-54.9	0	0	0	0	110.7
350	D	24.4	Very low	25	Very low	134 Å²	134	154.6 Å²	154.6	72%	0.717	78%	0.782	S	S	*	*			trans	37.4	136	137.1	-84.9	-11.6	0	0	0	124.8
351	K	26.5	Very low	25.8	Very low	179 Å²	179	148.1 Å²	148.1	78%	0.778	77%	0.766	S	S	*	*			trans	92.9	88	140.2	-75.3	168.2	-175.9	168.8	0	119.9
352	H	23.2	Very low	26.6	Very low	154 Å²	154	148.5 Å²	148.5	71%	0.713	76%	0.763	S	S	*	*				54	89	113.7	-126.8	-83.8	0	0	0	117.3	N354	H352-N354 PolarHBondContact CE1-ND2 2.87Å
353	F	27.8	Very low	27.9	Very low	196 Å²	196	147.6 Å²	147.6	86%	0.86	76%	0.759	S	S	*	*			trans	-129	86.6	147.8	-123.6	-91.8	0	0	0	109.5	R355	F353-R355 PolarHBondContact O-N 2.85Å; F353-R355 VanDerWaalsContact O-N 3.1Å
354	N	22.3	Very low	28.9	Very low	130 Å²	130	148.5 Å²	148.5	70%	0.695	76%	0.757	S	S	*	*			trans	-64.7	104	163.7	-85.4	-19.4	0	0	0	108.3	H352	H352-N354 PolarHBondContact CE1-ND2 2.87Å
355	R	25.5	Very low	30.1	Very low	209 Å²	209	146.5 Å²	146.5	79%	0.789	75%	0.746	S	S	*	*			trans	-121.2	92.7	156.6	-157.6	174.3	-153.9	157.3	4.7	108.9	F353 T357	F353-R355 PolarHBondContact O-N 2.85Å; F353-R355 VanDerWaalsContact O-N 3.1Å; R355-T357 PolarHBondContact O-N 2.84Å
356	T	25.3	Very low	31.4	Very low	130 Å²	130	148.5 Å²	148.5	80%	0.798	75%	0.747	S	S	*	*			trans	-61.1	93.9	166.9	-51.5	0	0	0	0	108.8
357	T	29.7	Very low	33	Very low	110 Å²	110	150.7 Å²	150.7	68%	0.675	75%	0.746	S	S	*	*			trans	-108.4	99.9	164.3	-24.8	0	0	0	0	107.7	R355 T359	R355-T357 PolarHBondContact O-N 2.84Å; T357-T359 PolarHBondContact O-N 2.9Å; T357-T359 VanDerWaalsContact O-N 3.14Å
358	R	28.4	Very low	35.1	Very low	234 Å²	234	146.8 Å²	146.8	88%	0.883	73%	0.731	S	S	*	*			trans	-76.7	84.1	-174.3	177.9	-174.7	155.5	126.9	-3.1	109.3
359	T	31.5	Very low	37.1	Very low	121 Å²	121	143.2 Å²	143.2	74%	0.742	72%	0.715	S	S	*	*			trans	-159.6	62	167.9	26.6	0	0	0	0	111.4	T357	T357-T359 PolarHBondContact O-N 2.9Å; T357-T359 VanDerWaalsContact O-N 3.14Å
360	T	33.4	Very low	39.2	Very low	128 Å²	128	145.1 Å²	145.1	79%	0.785	71%	0.707	S	S	*	*			trans	-142.5	34.6	160.7	-34.1	0	0	0	0	110.8
361	G	38.4	Very low	41.5	Very low	51 Å²	51	145.8 Å²	145.8	53%	0.526	70%	0.701	S	S	.	*	S	Bend	trans	-95.9	-25.7	179.4	0	0	0	0	0	114.5	K365	G361-K365 VanDerWaalsContact O-CB 3.27Å; G361-K365 WeakPolarHBondContact O-CB 3.43Å; G361-K365 PolarHBondContact O-N 2.85Å
362	E	37.8	Very low	43.9	Very low	163 Å²	163	141.9 Å²	141.9	76%	0.762	69%	0.688	S	S	*	*	H	α-helix	trans	-84.7	-39	-169.3	-78.6	-178.4	149.2	0	0	114.1	K365 H366	E362-K365 WeakPolarHBondContact O-CB 3.4Å; E362-K365 PolarHBondContact O-N 2.92Å; E362-K365 VanDerWaalsContact O-N 3.12Å; E362-H366 PolarHBondContact O-N 3.33Å
363	N	48	Very low	46.5	Very low	143 Å²	143	142.6 Å²	142.6	77%	0.765	69%	0.686	S	S	*	*	H	α-helix	trans	-75.1	-31.4	-177.3	-70.9	-6.4	0	0	0	113.5	K365 K367	N363-K365 VanDerWaalsContact C-N 3.31Å; N363-K367 PolarHBondContact O-N 3.13Å
364	K	46.3	Very low	49	Very low	171 Å²	171	136 Å²	136	74%	0.743	66%	0.661	S	S	*	*	H	α-helix	trans	-68.5	-32.4	167.6	-86.6	-175.7	177.5	176.5	0	111.8	S368	K364-S368 VanDerWaalsContact O-CB 3.29Å; K364-S368 WeakPolarHBondContact O-CB 3.35Å; K364-S368 PolarHBondContact O-N 3.49Å
365	K	43.8	Very low	51.9	Low	130 Å²	130	133.4 Å²	133.4	57%	0.565	65%	0.65	S	S	*	*	H	α-helix	trans	-67.6	-41.8	178.5	-159.7	173.2	-174	-171.6	0	111	G361 E362 N363 S368 H369	G361-K365 VanDerWaalsContact O-CB 3.27Å; G361-K365 WeakPolarHBondContact O-CB 3.43Å; G361-K365 PolarHBondContact O-N 2.85Å; E362-K365 WeakPolarHBondContact O-CB 3.4Å; E362-K365 PolarHBondContact O-N 2.92Å; E362-K365 VanDerWaalsContact O-N 3.12Å; N363-K365 VanDerWaalsContact C-N 3.31Å; K365-S368 PolarHBondContact O-N 3.09Å; K365-H369 WeakPolarHBondContact O-CB 3.35Å; K365-H369 PolarHBondContact O-CD2 3.01Å; K365-H369 PolarHBondContact O-N 3.17Å
366	H	51.9	Low	54.7	Low	156 Å²	156	128 Å²	128	72%	0.722	64%	0.636	S	S	*	*	H	α-helix	trans	-65.4	-41.5	178	-122.5	-75.9	0	0	0	113.5	E362 H369 W370	E362-H366 PolarHBondContact O-N 3.33Å; H366-H369 PolarHBondContact O-N 3.4Å; H366-W370 PolarHBondContact O-N 2.9Å; H366-W370 VanDerWaalsContact O-N 3.14Å
367	K	56.1	Low	57.5	Low	162 Å²	162	124.5 Å²	124.5	70%	0.704	62%	0.617	S	S	*	*	H	α-helix	trans	-62.4	-42.4	171.6	-91.5	-176.3	177.6	177.5	0	112	N363 W370 Y371	N363-K367 PolarHBondContact O-N 3.13Å; K367-W370 PolarHBondContact O-N 2.86Å; K367-Y371 PolarHBondContact O-N 3.32Å; K367-Y371 VanDerWaalsContact O-N 3.16Å
368	S	65.8	Low	60.2	Low	73 Å²	73	124.1 Å²	124.1	51%	0.51	61%	0.61	S	S	.	*	H	α-helix	trans	-65.7	-40.4	178.8	-179.4	0	0	0	0	112.4	K364 K365 Y371 L372	K364-S368 VanDerWaalsContact O-CB 3.29Å; K364-S368 WeakPolarHBondContact O-CB 3.35Å; K364-S368 PolarHBondContact O-N 3.49Å; K365-S368 PolarHBondContact O-N 3.09Å; S368-Y371 PolarHBondContact O-N 2.61Å; S368-L372 VanDerWaalsContact O-CB 3.31Å; S368-L372 WeakPolarHBondContact O-CB 3.48Å; S368-L372 PolarHBondContact O-N 2.83Å
369	H	66.5	Low	62.9	Low	108 Å²	108	116.1 Å²	116.1	50%	0.5	59%	0.587	S	S	.	*	H	α-helix	trans	-67.7	-37.9	178	-86	-106.7	0	0	0	112.7	K365 H366 L372 Y373	K365-H369 WeakPolarHBondContact O-CB 3.35Å; K365-H369 PolarHBondContact O-CD2 3.01Å; K365-H369 PolarHBondContact O-N 3.17Å; H366-H369 PolarHBondContact O-N 3.4Å; H369-L372 PolarHBondContact O-N 3.22Å; H369-Y373 PolarHBondContact O-N 2.86Å
370	W	71.2	Confident	65.5	Low	165 Å²	165	112.6 Å²	112.6	63%	0.625	57%	0.571	S	S	*	*	H	α-helix	trans	-65.5	-46.5	175.4	-178.9	69.9	0	0	0	111.8	H366 K367 L372 Y373 V374	H366-W370 PolarHBondContact O-N 2.9Å; H366-W370 VanDerWaalsContact O-N 3.14Å; K367-W370 PolarHBondContact O-N 2.86Å; W370-L372 VanDerWaalsContact C-N 3.32Å; W370-L372 PolarHBondContact O-N 3.13Å; W370-Y373 PolarHBondContact O-N 3.05Å; W370-V374 HydrophobicContact CD2-CG2 4.41Å; W370-V374 HydrophobicContact CZ2-CG2 4.31Å; W370-V374 WeakPolarHBondContact O-CG2 3.5Å; W370-V374 PolarHBondContact O-N 2.82Å
371	Y	71.9	Confident	68	Low	148 Å²	148	109 Å²	109	58%	0.58	55%	0.55	S	S	*	*	H	α-helix	trans	-59.9	-41.9	173.1	-97.3	-85.2	0	0	0	112	K367 S368 Y373 V374 V375	K367-Y371 PolarHBondContact O-N 3.32Å; K367-Y371 VanDerWaalsContact O-N 3.16Å; S368-Y371 PolarHBondContact O-N 2.61Å; Y371-Y373 VanDerWaalsContact C-N 3.32Å; Y371-Y373 PolarHBondContact O-N 3.13Å; Y371-V374 PolarHBondContact O-N 2.92Å; Y371-V375 WeakPolarHBondContact O-CB 3.44Å; Y371-V375 WeakPolarHBondContact O-CG2 3.22Å; Y371-V375 PolarHBondContact O-N 2.89Å
372	L	77.5	Confident	70.3	Confident	98 Å²	98	111.5 Å²	111.5	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-59.4	-43.3	176.6	-163	89	0	0	0	111.2	S368 H369 W370 V375 I376	S368-L372 VanDerWaalsContact O-CB 3.31Å; S368-L372 WeakPolarHBondContact O-CB 3.48Å; S368-L372 PolarHBondContact O-N 2.83Å; H369-L372 PolarHBondContact O-N 3.22Å; W370-L372 VanDerWaalsContact C-N 3.32Å; W370-L372 PolarHBondContact O-N 3.13Å; L372-V375 PolarHBondContact O-N 3Å; L372-I376 HydrophobicContact CD2-CD1 3.94Å; L372-I376 HydrophobicContact CG-CD1 3.82Å; L372-I376 WeakPolarHBondContact O-CB 3.25Å; L372-I376 WeakPolarHBondContact O-CD1 2.9Å; L372-I376 WeakPolarHBondContact O-CG1 3.35Å; L372-I376 PolarHBondContact O-N 3.12Å
373	Y	77.9	Confident	72.7	Confident	168 Å²	168	110.3 Å²	110.3	66%	0.659	54%	0.544	S	S	*	.	H	α-helix	trans	-66.3	-44.9	179.3	-165.6	-95.5	0	0	0	112.2	H369 W370 Y371 V375 I376 S377	H369-Y373 PolarHBondContact O-N 2.86Å; W370-Y373 PolarHBondContact O-N 3.05Å; Y371-Y373 VanDerWaalsContact C-N 3.32Å; Y371-Y373 PolarHBondContact O-N 3.13Å; Y373-V375 VanDerWaalsContact C-N 3.35Å; Y373-V375 PolarHBondContact O-N 2.7Å; Y373-I376 PolarHBondContact O-N 3.38Å; Y373-S377 PolarHBondContact O-N 3.37Å; Y373-S377 PolarHBondContact O-OG 2.86Å
374	V	80.7	Confident	74.7	Confident	57 Å²	57	109.7 Å²	109.7	35%	0.345	54%	0.54	S	S	.	.	H	α-helix	trans	-61.5	-43.4	176.7	174.7	0	0	0	0	111.1	W370 Y371 S377 L378	W370-V374 HydrophobicContact CD2-CG2 4.41Å; W370-V374 HydrophobicContact CZ2-CG2 4.31Å; W370-V374 WeakPolarHBondContact O-CG2 3.5Å; W370-V374 PolarHBondContact O-N 2.82Å; Y371-V374 PolarHBondContact O-N 2.92Å; V374-S377 PolarHBondContact O-N 3.03Å; V374-L378 HydrophobicContact CG1-CD1 4.05Å; V374-L378 WeakPolarHBondContact O-CB 3.48Å; V374-L378 WeakPolarHBondContact O-CG 3.19Å; V374-L378 PolarHBondContact O-N 2.87Å
375	V	81.9	Confident	76.6	Confident	77 Å²	77	106.6 Å²	106.6	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-66.7	-43.3	177.6	173.6	0	0	0	0	111.2	Y371 L372 Y373 S377 L378 V379	Y371-V375 WeakPolarHBondContact O-CB 3.44Å; Y371-V375 WeakPolarHBondContact O-CG2 3.22Å; Y371-V375 PolarHBondContact O-N 2.89Å; L372-V375 PolarHBondContact O-N 3Å; Y373-V375 VanDerWaalsContact C-N 3.35Å; Y373-V375 PolarHBondContact O-N 2.7Å; V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 2.85Å; V375-L378 PolarHBondContact O-N 2.8Å; V375-V379 HydrophobicContact CG1-CG2 4.25Å; V375-V379 WeakPolarHBondContact O-CB 3.39Å; V375-V379 VanDerWaalsContact O-CG2 3.22Å; V375-V379 WeakPolarHBondContact O-CG2 3.44Å; V375-V379 PolarHBondContact O-N 3.18Å
376	I	85.8	Confident	78.7	Confident	94 Å²	94	103.4 Å²	103.4	48%	0.482	52%	0.524	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176.2	-70.9	164.9	0	0	0	110.8	L372 Y373 V379 A380	L372-I376 HydrophobicContact CD2-CD1 3.94Å; L372-I376 HydrophobicContact CG-CD1 3.82Å; L372-I376 WeakPolarHBondContact O-CB 3.25Å; L372-I376 WeakPolarHBondContact O-CD1 2.9Å; L372-I376 WeakPolarHBondContact O-CG1 3.35Å; L372-I376 PolarHBondContact O-N 3.12Å; Y373-I376 PolarHBondContact O-N 3.38Å; I376-V379 PolarHBondContact O-N 2.85Å; I376-A380 VanDerWaalsContact O-CB 3.28Å; I376-A380 WeakPolarHBondContact O-CB 3.39Å; I376-A380 PolarHBondContact O-N 3.01Å
377	S	84.2	Confident	80.4	Confident	58 Å²	58	99.6 Å²	99.6	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-40.9	176.8	-70.5	0	0	0	0	112.7	Y373 V374 V375 A380 S381	Y373-S377 PolarHBondContact O-N 3.37Å; Y373-S377 PolarHBondContact O-OG 2.86Å; V374-S377 PolarHBondContact O-N 3.03Å; V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 2.85Å; S377-A380 PolarHBondContact O-N 3.39Å; S377-S381 PolarHBondContact O-N 2.83Å; S377-S381 PolarHBondContact O-OG 2.85Å
378	L	84.9	Confident	81.9	Confident	101 Å²	101	93.7 Å²	93.7	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-40.8	174.9	-81.9	163.6	0	0	0	112.3	V374 V375 S381 L382	V374-L378 HydrophobicContact CG1-CD1 4.05Å; V374-L378 WeakPolarHBondContact O-CB 3.48Å; V374-L378 WeakPolarHBondContact O-CG 3.19Å; V374-L378 PolarHBondContact O-N 2.87Å; V375-L378 PolarHBondContact O-N 2.8Å; L378-S381 PolarHBondContact O-N 3.36Å; L378-S381 PolarHBondContact O-OG 3.33Å; L378-L382 WeakPolarHBondContact O-CB 3.38Å; L378-L382 PolarHBondContact O-N 3.35Å
379	V	86.4	Confident	82.8	Confident	67 Å²	67	93.5 Å²	93.5	41%	0.406	50%	0.495	S	S	.	.	H	α-helix	trans	-67	-44.2	176.9	170.7	0	0	0	0	110.3	V375 I376 S381 L382 F383	V375-V379 HydrophobicContact CG1-CG2 4.25Å; V375-V379 WeakPolarHBondContact O-CB 3.39Å; V375-V379 VanDerWaalsContact O-CG2 3.22Å; V375-V379 WeakPolarHBondContact O-CG2 3.44Å; V375-V379 PolarHBondContact O-N 3.18Å; I376-V379 PolarHBondContact O-N 2.85Å; V379-S381 VanDerWaalsContact C-N 3.35Å; V379-S381 PolarHBondContact O-N 2.79Å; V379-L382 WeakPolarHBondContact O-CB 3.27Å; V379-L382 PolarHBondContact O-N 3.41Å; V379-F383 HydrophobicContact CG1-CD2 3.57Å; V379-F383 HydrophobicContact CG1-CE2 3.44Å; V379-F383 VanDerWaalsContact CG1-CE2 3.44Å; V379-F383 WeakPolarHBondContact O-CD2 3.39Å; V379-F383 PolarHBondContact O-N 2.92Å
380	A	85.8	Confident	83.7	Confident	47 Å²	47	93.8 Å²	93.8	39%	0.388	50%	0.499	S	S	.	.	H	α-helix	trans	-61.5	-40.7	176.8	0	0	0	0	0	112.3	I376 S377 F383 L384	I376-A380 VanDerWaalsContact O-CB 3.28Å; I376-A380 WeakPolarHBondContact O-CB 3.39Å; I376-A380 PolarHBondContact O-N 3.01Å; S377-A380 PolarHBondContact O-N 3.39Å; A380-F383 PolarHBondContact O-N 3.1Å; A380-L384 WeakPolarHBondContact O-CG 3.41Å; A380-L384 PolarHBondContact O-N 2.88Å
381	S	85	Confident	84.4	Confident	51 Å²	51	89.8 Å²	89.8	36%	0.357	49%	0.489	S	S	.	.	H	α-helix	trans	-67	-41.6	176.3	69.2	0	0	0	0	112	S377 L378 V379 F383 L384 I385	S377-S381 PolarHBondContact O-N 2.83Å; S377-S381 PolarHBondContact O-OG 2.85Å; L378-S381 PolarHBondContact O-N 3.36Å; L378-S381 PolarHBondContact O-OG 3.33Å; V379-S381 VanDerWaalsContact C-N 3.35Å; V379-S381 PolarHBondContact O-N 2.79Å; S381-F383 PolarHBondContact O-N 3.31Å; S381-L384 PolarHBondContact O-N 2.76Å; S381-I385 VanDerWaalsContact O-CG1 3.29Å; S381-I385 WeakPolarHBondContact O-CG1 3.45Å; S381-I385 PolarHBondContact O-N 3.39Å
382	L	87.8	Confident	84.9	Confident	105 Å²	105	91.3 Å²	91.3	55%	0.55	49%	0.493	S	S	.	.	H	α-helix	trans	-59	-43.2	171.7	-99.4	149.1	0	0	0	112.2	L378 V379 I385 C386	L378-L382 WeakPolarHBondContact O-CB 3.38Å; L378-L382 PolarHBondContact O-N 3.35Å; V379-L382 WeakPolarHBondContact O-CB 3.27Å; V379-L382 PolarHBondContact O-N 3.41Å; L382-I385 PolarHBondContact O-N 2.86Å; L382-C386 WeakPolarHBondContact O-CB 3.48Å; L382-C386 PolarHBondContact O-N 2.86Å; L382-C386 PolarHBondContact O-SG 2.94Å; L382-C386 VanDerWaalsContact O-SG 3.33Å
383	F	87.7	Confident	85.1	Confident	138 Å²	138	96.1 Å²	96.1	61%	0.605	51%	0.505	S	S	*	.	H	α-helix	trans	-62.3	-43.4	175.7	-88.7	-70.6	0	0	0	112	V379 A380 S381 I385 C386 V387	V379-F383 HydrophobicContact CG1-CD2 3.57Å; V379-F383 HydrophobicContact CG1-CE2 3.44Å; V379-F383 VanDerWaalsContact CG1-CE2 3.44Å; V379-F383 WeakPolarHBondContact O-CD2 3.39Å; V379-F383 PolarHBondContact O-N 2.92Å; A380-F383 PolarHBondContact O-N 3.1Å; S381-F383 PolarHBondContact O-N 3.31Å; F383-I385 VanDerWaalsContact C-N 3.33Å; F383-I385 PolarHBondContact O-N 2.67Å; F383-C386 PolarHBondContact O-N 3.3Å; F383-V387 VanDerWaalsContact O-CG2 3.3Å; F383-V387 WeakPolarHBondContact O-CG2 3.18Å; F383-V387 PolarHBondContact O-N 3.33Å
384	L	88.9	Confident	85.2	Confident	129 Å²	129	95.4 Å²	95.4	68%	0.675	50%	0.501	S	S	*	.	H	α-helix	trans	-62.8	-40.3	176.7	-71	170.5	0	0	0	111.9	A380 S381 G388	A380-L384 WeakPolarHBondContact O-CG 3.41Å; A380-L384 PolarHBondContact O-N 2.88Å; S381-L384 PolarHBondContact O-N 2.76Å; L384-G388 PolarHBondContact O-N 2.79Å
385	I	88	Confident	85.2	Confident	107 Å²	107	97.4 Å²	97.4	55%	0.549	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-45.7	174.7	-67	164.9	0	0	0	110.5	S381 L382 F383 V387 G388 C389	S381-I385 VanDerWaalsContact O-CG1 3.29Å; S381-I385 WeakPolarHBondContact O-CG1 3.45Å; S381-I385 PolarHBondContact O-N 3.39Å; L382-I385 PolarHBondContact O-N 2.86Å; F383-I385 VanDerWaalsContact C-N 3.33Å; F383-I385 PolarHBondContact O-N 2.67Å; I385-V387 PolarHBondContact O-N 2.75Å; I385-G388 PolarHBondContact O-N 2.88Å; I385-C389 WeakPolarHBondContact O-CB 3.42Å; I385-C389 PolarHBondContact O-N 3.28Å; I385-C389 PolarHBondContact O-SG 3.11Å; I385-C389 VanDerWaalsContact O-SG 3.32Å
386	C	86.5	Confident	84.8	Confident	63 Å²	63	98.1 Å²	98.1	43%	0.426	51%	0.51	S	S	.	.	H	α-helix	trans	-61.1	-44.7	177.5	-76.5	0	0	0	0	112.4	L382 F383 G388 C389 I390	L382-C386 WeakPolarHBondContact O-CB 3.48Å; L382-C386 PolarHBondContact O-N 2.86Å; L382-C386 PolarHBondContact O-SG 2.94Å; L382-C386 VanDerWaalsContact O-SG 3.33Å; F383-C386 PolarHBondContact O-N 3.3Å; C386-G388 VanDerWaalsContact C-N 3.35Å; C386-C389 WeakPolarHBondContact O-CB 3.3Å; C386-C389 PolarHBondContact O-N 2.88Å; C386-I390 VanDerWaalsContact O-CG1 3.3Å; C386-I390 WeakPolarHBondContact O-CG1 3.12Å; C386-I390 PolarHBondContact O-N 2.8Å
387	V	88.9	Confident	84.4	Confident	75 Å²	75	103.5 Å²	103.5	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-63.1	-43.3	175.9	172.5	0	0	0	0	110.4	F383 I385 C389 I390 I391	F383-V387 VanDerWaalsContact O-CG2 3.3Å; F383-V387 WeakPolarHBondContact O-CG2 3.18Å; F383-V387 PolarHBondContact O-N 3.33Å; I385-V387 PolarHBondContact O-N 2.75Å; V387-C389 VanDerWaalsContact C-N 3.34Å; V387-C389 PolarHBondContact O-N 2.96Å; V387-I390 PolarHBondContact O-N 3.25Å; V387-I391 HydrophobicContact CG1-CD1 3.71Å; V387-I391 HydrophobicContact CG1-CG1 4.37Å; V387-I391 VanDerWaalsContact O-CG1 3.27Å; V387-I391 WeakPolarHBondContact O-CG1 3.47Å; V387-I391 PolarHBondContact O-N 3.08Å
388	G	85.7	Confident	83.9	Confident	39 Å²	39	108.1 Å²	108.1	40%	0.402	53%	0.532	S	S	.	.	H	α-helix	trans	-56.5	-46.1	172.8	0	0	0	0	0	112.5	L384 I385 C386 I390 I391 W392	L384-G388 PolarHBondContact O-N 2.79Å; I385-G388 PolarHBondContact O-N 2.88Å; C386-G388 VanDerWaalsContact C-N 3.35Å; G388-I390 PolarHBondContact O-N 3.44Å; G388-I391 PolarHBondContact O-N 2.91Å; G388-W392 VanDerWaalsContact O-CB 3.23Å; G388-W392 WeakPolarHBondContact O-CB 3.3Å; G388-W392 PolarHBondContact O-N 3.49Å
389	C	85.2	Confident	83.3	Confident	69 Å²	69	111.3 Å²	111.3	47%	0.466	54%	0.542	S	S	.	.	H	α-helix	trans	-63.4	-39.3	176.5	-75	0	0	0	0	113	I385 C386 V387 R393	I385-C389 WeakPolarHBondContact O-CB 3.42Å; I385-C389 PolarHBondContact O-N 3.28Å; I385-C389 PolarHBondContact O-SG 3.11Å; I385-C389 VanDerWaalsContact O-SG 3.32Å; C386-C389 WeakPolarHBondContact O-CB 3.3Å; C386-C389 PolarHBondContact O-N 2.88Å; V387-C389 VanDerWaalsContact C-N 3.34Å; V387-C389 PolarHBondContact O-N 2.96Å; C389-R393 WeakPolarHBondContact O-CB 3.44Å; C389-R393 WeakPolarHBondContact O-CG 3.36Å; C389-R393 PolarHBondContact O-N 3.3Å
390	I	86.1	Confident	82.4	Confident	114 Å²	114	117.9 Å²	117.9	59%	0.585	56%	0.56	S	S	*	*	H	α-helix	trans	-66.8	-47.2	176.9	-69.1	166.9	0	0	0	110.2	C386 V387 G388 W392 R393 W394	C386-I390 VanDerWaalsContact O-CG1 3.3Å; C386-I390 WeakPolarHBondContact O-CG1 3.12Å; C386-I390 PolarHBondContact O-N 2.8Å; V387-I390 PolarHBondContact O-N 3.25Å; G388-I390 PolarHBondContact O-N 3.44Å; I390-W392 VanDerWaalsContact C-N 3.31Å; I390-W392 PolarHBondContact O-N 3.27Å; I390-R393 PolarHBondContact O-N 3.26Å; I390-W394 WeakPolarHBondContact O-CB 3.05Å; I390-W394 PolarHBondContact O-N 3.16Å
391	I	85.4	Confident	81.4	Confident	81 Å²	81	120 Å²	120	42%	0.415	57%	0.572	S	S	.	*	H	α-helix	trans	-61.4	-43.7	177.7	-66.3	167.4	0	0	0	110.1	V387 G388 W394 L395	V387-I391 HydrophobicContact CG1-CD1 3.71Å; V387-I391 HydrophobicContact CG1-CG1 4.37Å; V387-I391 VanDerWaalsContact O-CG1 3.27Å; V387-I391 WeakPolarHBondContact O-CG1 3.47Å; V387-I391 PolarHBondContact O-N 3.08Å; G388-I391 PolarHBondContact O-N 2.91Å; I391-W394 PolarHBondContact O-N 3.45Å; I391-L395 HydrophobicContact CG2-CD1 4.04Å; I391-L395 HydrophobicContact CG2-CG 4.45Å; I391-L395 WeakPolarHBondContact O-CB 3.5Å; I391-L395 VanDerWaalsContact O-CG 3.31Å; I391-L395 WeakPolarHBondContact O-CG 3.13Å; I391-L395 PolarHBondContact O-N 3.41Å
392	W	83.6	Confident	80.1	Confident	180 Å²	180	124.4 Å²	124.4	68%	0.682	59%	0.591	S	S	*	*	H	α-helix	trans	-59.6	-48.9	176	-177.3	-82.7	0	0	0	111.9	G388 I390 W394 L395 L396	G388-W392 VanDerWaalsContact O-CB 3.23Å; G388-W392 WeakPolarHBondContact O-CB 3.3Å; G388-W392 PolarHBondContact O-N 3.49Å; I390-W392 VanDerWaalsContact C-N 3.31Å; I390-W392 PolarHBondContact O-N 3.27Å; W392-W394 VanDerWaalsContact C-N 3.31Å; W392-W394 PolarHBondContact O-N 3.23Å; W392-L395 PolarHBondContact O-N 3.35Å; W392-L396 HydrophobicContact CG-CD1 4.24Å; W392-L396 PolarHBondContact O-N 2.98Å
393	R	80.3	Confident	78.3	Confident	199 Å²	199	130 Å²	130	75%	0.751	61%	0.614	S	S	*	*	H	α-helix	trans	-61	-40.1	175.6	-79.8	-174.4	174	-162.5	-0.4	111.9	C389 I390 L396 R397	C389-R393 WeakPolarHBondContact O-CB 3.44Å; C389-R393 WeakPolarHBondContact O-CG 3.36Å; C389-R393 PolarHBondContact O-N 3.3Å; I390-R393 PolarHBondContact O-N 3.26Å; R393-L396 PolarHBondContact O-N 3.49Å; R393-R397 WeakPolarHBondContact O-CB 3.33Å; R393-R397 PolarHBondContact O-N 2.83Å
394	W	80.8	Confident	77.9	Confident	153 Å²	153	129.6 Å²	129.6	58%	0.58	62%	0.615	S	S	*	*	H	α-helix	trans	-64.5	-41.9	178	-165	80.7	0	0	0	111.7	I390 I391 W392 R397 R398	I390-W394 WeakPolarHBondContact O-CB 3.05Å; I390-W394 PolarHBondContact O-N 3.16Å; I391-W394 PolarHBondContact O-N 3.45Å; W392-W394 VanDerWaalsContact C-N 3.31Å; W392-W394 PolarHBondContact O-N 3.23Å; W394-R397 PolarHBondContact O-N 3.49Å; W394-R398 PolarHBondContact O-N 3.43Å
395	L	79.5	Confident	77.3	Confident	99 Å²	99	129.6 Å²	129.6	52%	0.518	61%	0.612	S	S	.	*	H	α-helix	trans	-65.7	-41.6	175.4	-72	171.8	0	0	0	112.7	I391 W392 R397 R398 K399	I391-L395 HydrophobicContact CG2-CD1 4.04Å; I391-L395 HydrophobicContact CG2-CG 4.45Å; I391-L395 WeakPolarHBondContact O-CB 3.5Å; I391-L395 VanDerWaalsContact O-CG 3.31Å; I391-L395 WeakPolarHBondContact O-CG 3.13Å; I391-L395 PolarHBondContact O-N 3.41Å; W392-L395 PolarHBondContact O-N 3.35Å; L395-R397 VanDerWaalsContact C-N 3.33Å; L395-R397 PolarHBondContact O-N 2.95Å; L395-R398 PolarHBondContact O-N 3.15Å; L395-K399 PolarHBondContact O-N 2.85Å; L395-K399 VanDerWaalsContact O-N 3.08Å
396	L	74.4	Confident	76.7	Confident	92 Å²	92	130.9 Å²	130.9	48%	0.482	62%	0.615	S	S	.	*	H	α-helix	trans	-62	-40.4	174.7	-102.6	135.5	0	0	0	112.3	W392 R393 R398 K399 R400	W392-L396 HydrophobicContact CG-CD1 4.24Å; W392-L396 PolarHBondContact O-N 2.98Å; R393-L396 PolarHBondContact O-N 3.49Å; L396-R398 VanDerWaalsContact C-N 3.32Å; L396-R398 PolarHBondContact O-N 3.38Å; L396-K399 PolarHBondContact O-N 2.82Å; L396-R400 PolarHBondContact O-N 3.29Å
397	R	77.4	Confident	76.1	Confident	206 Å²	206	134.9 Å²	134.9	78%	0.777	63%	0.626	S	S	*	*	H	α-helix	trans	-65.1	-38.4	177.2	-146.4	178.9	-158.5	175.1	5	111.6	R393 W394 L395 K399 R400	R393-R397 WeakPolarHBondContact O-CB 3.33Å; R393-R397 PolarHBondContact O-N 2.83Å; W394-R397 PolarHBondContact O-N 3.49Å; L395-R397 VanDerWaalsContact C-N 3.33Å; L395-R397 PolarHBondContact O-N 2.95Å; R397-K399 VanDerWaalsContact C-N 3.34Å; R397-R400 PolarHBondContact O-N 2.81Å
398	R	74.3	Confident	75.3	Confident	155 Å²	155	138.6 Å²	138.6	59%	0.585	64%	0.637	S	S	*	*	H	α-helix	trans	-68.5	-33	178.1	-151.4	174.5	-170.3	-179.8	2.5	112.5	W394 L395 L396 S401	W394-R398 PolarHBondContact O-N 3.43Å; L395-R398 PolarHBondContact O-N 3.15Å; L396-R398 VanDerWaalsContact C-N 3.32Å; L396-R398 PolarHBondContact O-N 3.38Å; R398-S401 PolarHBondContact O-N 3.46Å
399	K	70.8	Confident	74.6	Confident	168 Å²	168	145.3 Å²	145.3	73%	0.73	65%	0.653	S	S	*	*	H	α-helix	trans	-67.6	-35.6	177.2	-148.7	-179.8	-176.7	-171.1	0	112.5	L395 L396 R397 S401	L395-K399 PolarHBondContact O-N 2.85Å; L395-K399 VanDerWaalsContact O-N 3.08Å; L396-K399 PolarHBondContact O-N 2.82Å; R397-K399 VanDerWaalsContact C-N 3.34Å; K399-S401 VanDerWaalsContact C-N 3.32Å; K399-S401 PolarHBondContact O-N 3.01Å
400	R	67.9	Low	73.8	Confident	206 Å²	206	150.7 Å²	150.7	78%	0.777	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-14.6	175.9	-87.1	-170.4	-173.1	173.5	2.5	115.5	L396 R397	L396-R400 PolarHBondContact O-N 3.29Å; R397-R400 PolarHBondContact O-N 2.81Å
401	S	65	Low	72.9	Confident	91 Å²	91	153.5 Å²	153.5	64%	0.636	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-8.2	178.6	-175	0	0	0	0	113.1	R398 K399	R398-S401 PolarHBondContact O-N 3.46Å; K399-S401 VanDerWaalsContact C-N 3.32Å; K399-S401 PolarHBondContact O-N 3.01Å
402	N	57.3	Low	71.9	Confident	143 Å²	143	159.6 Å²	159.6	77%	0.765	69%	0.694	S	S	*	*			trans	-107.2	6.1	-179.8	-76.6	6.2	0	0	0	112.5
403	E	51.1	Low	70.8	Confident	223 Å²	223	157.7 Å²	157.7	100%	1.042	70%	0.695	S	S	*	*			trans	-101.6	0	156.1	-84.7	175.5	156.2	0	0	107.3

Retrieved 403 of 403 residues in 135 ms (Link to these results)

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