A0AA82N7W3_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7W3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 361 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	38.9	Very low	39.8	Very low	228 Å²	228	139.9 Å²	139.9	100%	1.123	73%	0.726	S	S	*	*				0	110.8	0	-99.8	167.9	156.7	0	0	108.4	Y3	M1-Y3 PolarHBondContact O-N 3.08Å
2	K	34.7	Very low	41.5	Very low	207 Å²	207	133.4 Å²	133.4	90%	0.9	70%	0.702	S	S	*	*			trans	-66.7	108.7	174.1	-80.1	177.6	173.7	177.2	0	108.1	T4	K2-T4 PolarHBondContact O-N 2.7Å
3	Y	38.1	Very low	42.6	Very low	225 Å²	225	130.1 Å²	130.1	88%	0.882	68%	0.678	S	S	*	*			trans	-76.4	96.5	167.1	-99.9	-91.6	0	0	0	107.9	M1 H5	M1-Y3 PolarHBondContact O-N 3.08Å; Y3-H5 PolarHBondContact O-N 3.37Å
4	T	33.8	Very low	43.7	Very low	125 Å²	125	125.3 Å²	125.3	77%	0.767	66%	0.661	S	S	*	*			trans	-70.9	106.3	161.9	38.5	0	0	0	0	107.8	K2	K2-T4 PolarHBondContact O-N 2.7Å
5	H	33.7	Very low	44.6	Very low	169 Å²	169	124.3 Å²	124.3	78%	0.782	66%	0.656	S	S	*	*			trans	-55.1	125	170.1	-147.9	-56.9	0	0	0	108.6	Y3 S7	Y3-H5 PolarHBondContact O-N 3.37Å; H5-S7 VanDerWaalsContact C-N 3.32Å; H5-S7 PolarHBondContact O-N 3.34Å
6	P	39.5	Very low	45.7	Very low	69 Å²	69	121.1 Å²	121.1	45%	0.448	64%	0.638	S	S	.	*			trans	-78.1	88.6	178.8	30.1	-29.7	0	0	0	108.4	S8 Q9	P6-S8 PolarHBondContact O-N 3.02Å; P6-S8 VanDerWaalsContact O-N 3.16Å; P6-Q9 PolarHBondContact O-N 3.43Å
7	S	45.1	Very low	46.6	Very low	92 Å²	92	118.2 Å²	118.2	64%	0.643	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-8.4	169.3	50.5	0	0	0	0	113	H5	H5-S7 VanDerWaalsContact C-N 3.32Å; H5-S7 PolarHBondContact O-N 3.34Å
8	S	42.1	Very low	47.2	Very low	87 Å²	87	117.7 Å²	117.7	61%	0.608	62%	0.619	S	S	*	*	H	α-helix	trans	-78.7	-21.6	177.5	61.7	0	0	0	0	114.6	P6	P6-S8 PolarHBondContact O-N 3.02Å; P6-S8 VanDerWaalsContact O-N 3.16Å
9	Q	43.8	Very low	47.6	Very low	131 Å²	131	115.9 Å²	115.9	61%	0.612	61%	0.609	S	S	*	*	H	α-helix	trans	-81.2	-31.9	-177.9	-74.1	-172.9	-10.8	0	0	113.4	P6 S12 F13	P6-Q9 PolarHBondContact O-N 3.43Å; Q9-S12 PolarHBondContact O-N 2.78Å; Q9-F13 PolarHBondContact O-N 2.82Å
10	S	44.6	Very low	48	Very low	80 Å²	80	112.5 Å²	112.5	56%	0.559	59%	0.591	S	S	*	*	H	α-helix	trans	-73.5	-33.1	179.4	83.4	0	0	0	0	112.4	S12 F13 S14	S10-S12 PolarHBondContact O-N 2.84Å; S10-F13 PolarHBondContact O-N 2.72Å; S10-S14 PolarHBondContact O-N 2.97Å; S10-S14 VanDerWaalsContact O-N 3.13Å; S10-S14 PolarHBondContact O-OG 2.84Å
11	L	43.8	Very low	48.3	Very low	126 Å²	126	111.2 Å²	111.2	66%	0.66	58%	0.584	S	S	*	*	H	α-helix	trans	-64.2	-38.2	174.3	-84.5	155.4	0	0	0	112.3	L15	L11-L15 PolarHBondContact O-N 3.11Å; L11-L15 VanDerWaalsContact O-N 3.16Å
12	S	59.4	Low	48.9	Very low	62 Å²	62	106.7 Å²	106.7	43%	0.434	56%	0.558	S	S	.	*	H	α-helix	trans	-67	-41.6	177.5	171.5	0	0	0	0	112.4	Q9 S10 L15 I16	Q9-S12 PolarHBondContact O-N 2.78Å; S10-S12 PolarHBondContact O-N 2.84Å; S12-L15 PolarHBondContact O-N 2.83Å; S12-I16 WeakPolarHBondContact O-CD1 3.17Å; S12-I16 VanDerWaalsContact O-CG1 3.28Å; S12-I16 WeakPolarHBondContact O-CG1 3.17Å; S12-I16 PolarHBondContact O-N 2.8Å
13	F	56.1	Low	49.6	Very low	90 Å²	90	103.6 Å²	103.6	40%	0.395	55%	0.545	S	S	.	.	H	α-helix	trans	-66.8	-43	177.8	-97.9	-75.6	0	0	0	112.7	Q9 S10 L15 I16 I17 I343	Q9-F13 PolarHBondContact O-N 2.82Å; S10-F13 PolarHBondContact O-N 2.72Å; F13-L15 VanDerWaalsContact C-N 3.27Å; F13-L15 PolarHBondContact O-N 3.14Å; F13-I16 PolarHBondContact O-N 2.8Å; F13-I17 WeakPolarHBondContact O-CB 3.48Å; F13-I17 VanDerWaalsContact O-CG1 3.24Å; F13-I17 WeakPolarHBondContact O-CG1 3.2Å; F13-I17 PolarHBondContact O-N 3.03Å; F13-I343 HydrophobicContact CD1-CD1 3.98Å; F13-I343 HydrophobicContact CD1-CG1 4.27Å; F13-I343 HydrophobicContact CE1-CD1 3.62Å; F13-I343 HydrophobicContact CE1-CG1 3.4Å; F13-I343 VanDerWaalsContact CE1-CG1 3.4Å; F13-I343 HydrophobicContact CZ-CD1 4.47Å; F13-I343 HydrophobicContact CZ-CG1 3.93Å
14	S	57.8	Low	50.2	Low	63 Å²	63	99.5 Å²	99.5	44%	0.441	53%	0.529	S	S	.	.	H	α-helix	trans	-60.4	-39	175.7	-52.1	0	0	0	0	111.9	S10 L18	S10-S14 PolarHBondContact O-N 2.97Å; S10-S14 VanDerWaalsContact O-N 3.13Å; S10-S14 PolarHBondContact O-OG 2.84Å; S14-L18 WeakPolarHBondContact O-CB 3.45Å; S14-L18 WeakPolarHBondContact O-CG 3.44Å; S14-L18 PolarHBondContact O-N 2.77Å
15	L	57.3	Low	51.2	Low	111 Å²	111	99.8 Å²	99.8	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-67.8	-43.2	177.4	-144.5	87.5	0	0	0	111.6	L11 S12 F13 L18 I19	L11-L15 PolarHBondContact O-N 3.11Å; L11-L15 VanDerWaalsContact O-N 3.16Å; S12-L15 PolarHBondContact O-N 2.83Å; F13-L15 VanDerWaalsContact C-N 3.27Å; F13-L15 PolarHBondContact O-N 3.14Å; L15-L18 PolarHBondContact O-N 2.87Å; L15-I19 HydrophobicContact CD2-CD1 4.35Å; L15-I19 HydrophobicContact CG-CD1 4.39Å; L15-I19 WeakPolarHBondContact O-CB 3.49Å; L15-I19 WeakPolarHBondContact O-CD1 3.5Å; L15-I19 WeakPolarHBondContact O-CG1 3.44Å; L15-I19 PolarHBondContact O-N 2.84Å
16	I	62.2	Low	52.5	Low	72 Å²	72	94 Å²	94	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-41.4	176.6	-67.4	163.7	0	0	0	110.7	S12 F13 I19 I20 M339	S12-I16 WeakPolarHBondContact O-CD1 3.17Å; S12-I16 VanDerWaalsContact O-CG1 3.28Å; S12-I16 WeakPolarHBondContact O-CG1 3.17Å; S12-I16 PolarHBondContact O-N 2.8Å; F13-I16 PolarHBondContact O-N 2.8Å; I16-I19 PolarHBondContact O-N 2.94Å; I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.4Å; I16-I20 WeakPolarHBondContact O-CB 3.13Å; I16-I20 VanDerWaalsContact O-CG1 3.24Å; I16-I20 WeakPolarHBondContact O-CG1 3.34Å; I16-I20 PolarHBondContact O-N 2.55Å; I16-M339 HydrophobicContact CG2-CE 4.15Å
17	I	60.9	Low	54.1	Low	72 Å²	72	91.8 Å²	91.8	37%	0.369	49%	0.487	S	S	.	.	H	α-helix	trans	-63.5	-43.6	175.1	-69.7	165	0	0	0	110.5	F13 I20 L21 M339	F13-I17 WeakPolarHBondContact O-CB 3.48Å; F13-I17 VanDerWaalsContact O-CG1 3.24Å; F13-I17 WeakPolarHBondContact O-CG1 3.2Å; F13-I17 PolarHBondContact O-N 3.03Å; I17-I20 PolarHBondContact O-N 3.47Å; I17-L21 HydrophobicContact CG2-CD1 3.65Å; I17-L21 HydrophobicContact CG2-CG 4.23Å; I17-L21 VanDerWaalsContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 WeakPolarHBondContact O-CG 3.26Å; I17-L21 PolarHBondContact O-N 3.3Å; I17-M339 HydrophobicContact CG1-CE 3.65Å
18	L	58	Low	55.8	Low	110 Å²	110	89 Å²	89	58%	0.576	46%	0.464	S	S	*	.	H	α-helix	trans	-64.2	-39	175.5	-83.7	162.6	0	0	0	112.5	S14 L15 K22	S14-L18 WeakPolarHBondContact O-CB 3.45Å; S14-L18 WeakPolarHBondContact O-CG 3.44Å; S14-L18 PolarHBondContact O-N 2.77Å; L15-L18 PolarHBondContact O-N 2.87Å; L18-K22 WeakPolarHBondContact O-CB 3.34Å; L18-K22 PolarHBondContact O-N 2.82Å
19	I	55.1	Low	57.8	Low	83 Å²	83	84.9 Å²	84.9	43%	0.426	44%	0.435	S	S	.	.	H	α-helix	trans	-65.2	-47.1	175.8	-70.2	162.3	0	0	0	109.8	L15 I16 K22 F23	L15-I19 HydrophobicContact CD2-CD1 4.35Å; L15-I19 HydrophobicContact CG-CD1 4.39Å; L15-I19 WeakPolarHBondContact O-CB 3.49Å; L15-I19 WeakPolarHBondContact O-CD1 3.5Å; L15-I19 WeakPolarHBondContact O-CG1 3.44Å; L15-I19 PolarHBondContact O-N 2.84Å; I16-I19 PolarHBondContact O-N 2.94Å; I19-K22 PolarHBondContact O-N 3.37Å; I19-F23 HydrophobicContact CG2-CD2 3.99Å; I19-F23 HydrophobicContact CG2-CE2 4.01Å; I19-F23 VanDerWaalsContact O-CD2 3.26Å; I19-F23 WeakPolarHBondContact O-CD2 3.42Å; I19-F23 PolarHBondContact O-N 2.83Å; I19-F23 VanDerWaalsContact O-N 3.1Å
20	I	55.1	Low	59.7	Low	47 Å²	47	80 Å²	80	24%	0.241	42%	0.415	C	S	.	.	H	α-helix	trans	-65.4	-41.1	178.3	-67.1	168.2	0	0	0	110.9	I16 I17 F23 Y24 M339	I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.4Å; I16-I20 WeakPolarHBondContact O-CB 3.13Å; I16-I20 VanDerWaalsContact O-CG1 3.24Å; I16-I20 WeakPolarHBondContact O-CG1 3.34Å; I16-I20 PolarHBondContact O-N 2.55Å; I17-I20 PolarHBondContact O-N 3.47Å; I20-F23 PolarHBondContact O-N 2.9Å; I20-Y24 HydrophobicContact CG2-CD2 4.16Å; I20-Y24 HydrophobicContact CG2-CE2 4.28Å; I20-Y24 VanDerWaalsContact O-CD2 3.27Å; I20-Y24 WeakPolarHBondContact O-CD2 3.31Å; I20-M339 HydrophobicContact CD1-CE 3.99Å; I20-M339 HydrophobicContact CD1-CG 4.19Å; I20-M339 HydrophobicContact CD1-SD 3.31Å; I20-M339 WeakPolarHBondContact CD1-SD 2.98Å
21	L	53.7	Low	61.6	Low	86 Å²	86	79 Å²	79	45%	0.45	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-37.5	176.3	-72.8	170.1	0	0	0	112.1	I17 F23 Y24	I17-L21 HydrophobicContact CG2-CD1 3.65Å; I17-L21 HydrophobicContact CG2-CG 4.23Å; I17-L21 VanDerWaalsContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 WeakPolarHBondContact O-CG 3.26Å; I17-L21 PolarHBondContact O-N 3.3Å; L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 PolarHBondContact O-N 2.78Å; L21-Y24 PolarHBondContact O-N 2.93Å
22	K	51.2	Low	63.6	Low	134 Å²	134	74.6 Å²	74.6	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-60.5	-37.4	172.5	-103.2	-162.8	165.5	-144.7	0	112.3	L18 I19 Y24 E111	L18-K22 WeakPolarHBondContact O-CB 3.34Å; L18-K22 PolarHBondContact O-N 2.82Å; I19-K22 PolarHBondContact O-N 3.37Å; K22-Y24 PolarHBondContact O-N 2.99Å; K22-E111 IonicContact NZ-OE2 2.69Å; K22-E111 PolarHBondContact NZ-OE2 2.89Å
23	F	49.5	Very low	64.8	Low	142 Å²	142	74.1 Å²	74.1	62%	0.623	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.2	178.4	-92.2	-73.4	0	0	0	114.5	I19 I20 L21	I19-F23 HydrophobicContact CG2-CD2 3.99Å; I19-F23 HydrophobicContact CG2-CE2 4.01Å; I19-F23 VanDerWaalsContact O-CD2 3.26Å; I19-F23 WeakPolarHBondContact O-CD2 3.42Å; I19-F23 PolarHBondContact O-N 2.83Å; I19-F23 VanDerWaalsContact O-N 3.1Å; I20-F23 PolarHBondContact O-N 2.9Å; L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 PolarHBondContact O-N 2.78Å
24	Y	51.9	Low	66.4	Low	138 Å²	138	78.2 Å²	78.2	54%	0.541	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	42.8	-174.1	-74.1	-72	0	0	0	113.4	I20 L21 K22 C26	I20-Y24 HydrophobicContact CG2-CD2 4.16Å; I20-Y24 HydrophobicContact CG2-CE2 4.28Å; I20-Y24 VanDerWaalsContact O-CD2 3.27Å; I20-Y24 WeakPolarHBondContact O-CD2 3.31Å; L21-Y24 PolarHBondContact O-N 2.93Å; K22-Y24 PolarHBondContact O-N 2.99Å; Y24-C26 PolarHBondContact O-N 2.84Å
25	D	54	Low	67.8	Low	132 Å²	132	75.5 Å²	75.5	71%	0.706	37%	0.373	S	S	*	.			trans	-67.5	77.6	151.5	-98	-27.2	0	0	0	108.2	Y27	D25-Y27 WeakPolarHBondContact O-CD2 3.37Å; D25-Y27 PolarHBondContact O-N 3.04Å
26	C	61.5	Low	69.2	Low	48 Å²	48	70.9 Å²	70.9	32%	0.324	35%	0.352	S	S	.	.			trans	-75.9	93.4	-175.4	-150.8	0	0	0	0	107.7	Y24 E28 C331	Y24-C26 PolarHBondContact O-N 2.84Å; C26-E28 PolarHBondContact O-N 2.82Å; C26-C331 HydrophobicContact CB-CB 3.98Å; C26-C331 VanDerWaalsContact CB-SG 3.54Å; C26-C331 VanDerWaalsContact SG-SG 3.61Å
27	Y	74	Confident	70.5	Confident	22 Å²	22	73.8 Å²	73.8	9%	0.086	37%	0.368	C	S	.	.			trans	-50.6	136.4	173.5	-63.5	-85.2	0	0	0	109.6	D25 I29 C30 Y91 T93 E113 L191	D25-Y27 WeakPolarHBondContact O-CD2 3.37Å; D25-Y27 PolarHBondContact O-N 3.04Å; Y27-I29 PolarHBondContact O-N 2.9Å; Y27-C30 VanDerWaalsContact O-CB 3.24Å; Y27-C30 WeakPolarHBondContact O-CB 3.18Å; Y27-C30 PolarHBondContact O-N 2.81Å; Y27-Y91 WeakPolarHBondContact CE1-O 3.41Å; Y27-T93 PolarHBondContact OH-OG1 3.36Å; Y27-E113 HydrophobicContact CE2-CG 4.14Å; Y27-E113 WeakPolarHBondContact CE2-OE1 3.46Å; Y27-E113 VanDerWaalsContact OH-CG 3.28Å; Y27-E113 WeakPolarHBondContact OH-CG 3.29Å; Y27-L191 HydrophobicContact CD1-CD2 3.57Å; Y27-L191 HydrophobicContact CD2-CD2 4Å; Y27-L191 HydrophobicContact CE1-CD2 3.63Å; Y27-L191 HydrophobicContact CE2-CD2 4.07Å; Y27-L191 HydrophobicContact CG-CD2 3.78Å
28	E	79.1	Confident	71.9	Confident	33 Å²	33	72.6 Å²	72.6	15%	0.154	36%	0.359	C	S	.	.	H	α-helix	trans	-54	-30.1	-179.5	-66.5	-177.2	-176.7	0	0	112.1	C26 C30 I31 N32 L35 Y54 K224 R324	C26-E28 PolarHBondContact O-N 2.82Å; E28-C30 VanDerWaalsContact C-N 3.29Å; E28-C30 PolarHBondContact O-N 2.95Å; E28-I31 PolarHBondContact O-N 2.97Å; E28-N32 PolarHBondContact O-N 3.41Å; E28-L35 HydrophobicContact CB-CD1 3.65Å; E28-Y54 HydrophobicContact CB-CE2 4.24Å; E28-Y54 PolarHBondContact N-OH 2.96Å; E28-K224 WeakPolarHBondContact OE1-CE 3.47Å; E28-K224 IonicContact OE1-NZ 3.84Å; E28-R324 VanDerWaalsContact OE2-CD 3.26Å; E28-R324 WeakPolarHBondContact OE2-CD 3.2Å; E28-R324 WeakPolarHBondContact OE2-CG 3.27Å; E28-R324 IonicContact OE2-CZ 3.2Å; E28-R324 IonicContact OE2-NE 2.76Å; E28-R324 PolarHBondContact OE2-NE 2.93Å
29	I	83.8	Confident	73.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-28.8	175.6	-163.7	171.7	0	0	0	113.7	Y27 I31 N32 P33 L35 A36 Y54 L191	Y27-I29 PolarHBondContact O-N 2.9Å; I29-I31 PolarHBondContact O-N 3.05Å; I29-N32 CarbonylContact O-C 3.52Å; I29-N32 VanDerWaalsContact O-C 3.24Å; I29-P33 WeakPolarHBondContact O-CA 3.34Å; I29-L35 HydrophobicContact CB-CB 4.38Å; I29-L35 HydrophobicContact CG1-CB 4.29Å; I29-A36 HydrophobicContact CD1-CB 3.74Å; I29-A36 HydrophobicContact CG1-CB 4.24Å; I29-Y54 HydrophobicContact CB-CE1 3.79Å; I29-Y54 HydrophobicContact CB-CE2 4.38Å; I29-Y54 HydrophobicContact CD1-CD1 4.17Å; I29-Y54 HydrophobicContact CD1-CE1 4.01Å; I29-Y54 HydrophobicContact CG1-CE1 4.46Å; I29-Y54 HydrophobicContact CG2-CE1 4.03Å; I29-Y54 PolarHBondContact N-OH 2.89Å; I29-Y54 VanDerWaalsContact N-OH 3.09Å; I29-L191 HydrophobicContact CD1-CD1 4.04Å; I29-L191 HydrophobicContact CG2-CD1 4.18Å
30	C	83.7	Confident	75.3	Confident	29 Å²	29	69 Å²	69	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-33.7	176.5	-59.9	0	0	0	0	111	Y27 E28 C193	Y27-C30 VanDerWaalsContact O-CB 3.24Å; Y27-C30 WeakPolarHBondContact O-CB 3.18Å; Y27-C30 PolarHBondContact O-N 2.81Å; E28-C30 VanDerWaalsContact C-N 3.29Å; E28-C30 PolarHBondContact O-N 2.95Å; C30-C193 WeakPolarHBondContact CA-SG 3.39Å; C30-C193 HydrophobicContact CB-CB 3.53Å; C30-C193 WeakPolarHBondContact CB-SG 3.45Å; C30-C193 VanDerWaalsContact SG-CA 3.54Å; C30-C193 WeakPolarHBondContact SG-CB 3.42Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 2.89Å
31	I	84.6	Confident	77	Confident	60 Å²	60	71.1 Å²	71.1	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-89.6	-37.5	-179.6	-46.1	165.9	0	0	0	110.8	E28 I29 P33 H327 C331	E28-I31 PolarHBondContact O-N 2.97Å; I29-I31 PolarHBondContact O-N 3.05Å; I31-P33 WeakPolarHBondContact O-CD 3.23Å; I31-H327 HydrophobicContact CD1-CB 4Å; I31-H327 HydrophobicContact CG2-CB 4.33Å; I31-H327 WeakPolarHBondContact CG2-ND1 3.38Å; I31-C331 WeakPolarHBondContact CD1-SG 2.98Å
32	N	86.7	Confident	78.6	Confident	32 Å²	32	68 Å²	68	17%	0.171	33%	0.328	C	S	.	.			trans	-123.4	86.5	177.7	-173.7	-0.6	0	0	0	110.9	E28 I29 K34 L35	E28-N32 PolarHBondContact O-N 3.41Å; I29-N32 CarbonylContact O-C 3.52Å; I29-N32 VanDerWaalsContact O-C 3.24Å; N32-K34 PolarHBondContact O-N 2.92Å; N32-K34 WeakPolarHBondContact OD1-CB 3.33Å; N32-K34 PolarHBondContact OD1-N 2.8Å; N32-L35 HydrophobicContact CB-CD1 4.06Å; N32-L35 HydrophobicContact CB-CG 4.18Å; N32-L35 WeakPolarHBondContact O-CB 3.32Å; N32-L35 WeakPolarHBondContact O-CG 3.36Å; N32-L35 PolarHBondContact O-N 2.82Å
33	P	85.4	Confident	80.3	Confident	53 Å²	53	62.1 Å²	62.1	34%	0.344	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-57.4	-20.8	-179.2	-29.8	37	0	0	0	115.2	I29 I31 L35 A36	I29-P33 WeakPolarHBondContact O-CA 3.34Å; I31-P33 WeakPolarHBondContact O-CD 3.23Å; P33-L35 PolarHBondContact O-N 2.93Å; P33-A36 VanDerWaalsContact O-CB 3.27Å; P33-A36 WeakPolarHBondContact O-CB 3.41Å; P33-A36 PolarHBondContact O-N 3.17Å; P33-A36 VanDerWaalsContact O-N 3.16Å
34	K	88	Confident	82.3	Confident	175 Å²	175	59.1 Å²	59.1	76%	0.761	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63	-22	176.6	-61.2	-178.7	178	-179.9	0	112.1	N32 A36 N37 Y38	N32-K34 PolarHBondContact O-N 2.92Å; N32-K34 WeakPolarHBondContact OD1-CB 3.33Å; N32-K34 PolarHBondContact OD1-N 2.8Å; K34-A36 PolarHBondContact O-N 2.66Å; K34-N37 PolarHBondContact O-N 2.87Å; K34-Y38 PolarHBondContact O-N 3.42Å
35	L	87.8	Confident	84.2	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.031	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-63.2	-24.4	176.4	-68.8	175.7	0	0	0	113.1	E28 I29 N32 P33 N37 Y38 Y54	E28-L35 HydrophobicContact CB-CD1 3.65Å; I29-L35 HydrophobicContact CB-CB 4.38Å; I29-L35 HydrophobicContact CG1-CB 4.29Å; N32-L35 HydrophobicContact CB-CD1 4.06Å; N32-L35 HydrophobicContact CB-CG 4.18Å; N32-L35 WeakPolarHBondContact O-CB 3.32Å; N32-L35 WeakPolarHBondContact O-CG 3.36Å; N32-L35 PolarHBondContact O-N 2.82Å; P33-L35 PolarHBondContact O-N 2.93Å; L35-N37 PolarHBondContact O-N 3.46Å; L35-N37 VanDerWaalsContact O-N 3.12Å; L35-Y38 HydrophobicContact CD2-CG 4.39Å; L35-Y38 WeakPolarHBondContact O-CB 3.37Å; L35-Y38 PolarHBondContact O-N 2.79Å; L35-Y54 HydrophobicContact CB-CD2 3.81Å; L35-Y54 HydrophobicContact CB-CE2 4.04Å; L35-Y54 HydrophobicContact CB-CG 4.36Å; L35-Y54 HydrophobicContact CD1-CD2 4.25Å; L35-Y54 HydrophobicContact CD1-CE2 3.88Å; L35-Y54 HydrophobicContact CD2-CD2 4.48Å; L35-Y54 HydrophobicContact CG-CD2 4.41Å; L35-Y54 HydrophobicContact CG-CE2 4.48Å; L35-Y54 WeakPolarHBondContact O-CB 3.32Å
36	A	87.6	Confident	85.9	Confident	15 Å²	15	54.7 Å²	54.7	12%	0.124	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-53.5	-33.1	174.7	0	0	0	0	0	113.4	I29 P33 K34 F198 T199	I29-A36 HydrophobicContact CD1-CB 3.74Å; I29-A36 HydrophobicContact CG1-CB 4.24Å; P33-A36 VanDerWaalsContact O-CB 3.27Å; P33-A36 WeakPolarHBondContact O-CB 3.41Å; P33-A36 PolarHBondContact O-N 3.17Å; P33-A36 VanDerWaalsContact O-N 3.16Å; K34-A36 PolarHBondContact O-N 2.66Å; A36-F198 WeakPolarHBondContact CB-O 3.31Å; A36-T199 PolarHBondContact O-OG1 2.84Å
37	N	88.9	Confident	87.4	Confident	133 Å²	133	56.8 Å²	56.8	71%	0.711	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-113.7	16.3	-179.2	-60.2	-39.9	0	0	0	111.6	K34 L35 K39	K34-N37 PolarHBondContact O-N 2.87Å; L35-N37 PolarHBondContact O-N 3.46Å; L35-N37 VanDerWaalsContact O-N 3.12Å; N37-K39 PolarHBondContact O-N 3.07Å
38	Y	90.7	Very high	88.3	Confident	46 Å²	46	56.6 Å²	56.6	18%	0.18	29%	0.293	C	S	.	.			trans	-64.6	122.3	179.1	173.8	-96.3	0	0	0	109.4	K34 L35 H52 Y53	K34-Y38 PolarHBondContact O-N 3.42Å; L35-Y38 HydrophobicContact CD2-CG 4.39Å; L35-Y38 WeakPolarHBondContact O-CB 3.37Å; L35-Y38 PolarHBondContact O-N 2.79Å; Y38-H52 HydrophobicContact CE1-CB 4.24Å; Y38-Y53 WeakPolarHBondContact O-CA 3.06Å
39	K	93	Very high	89	Confident	95 Å²	95	55.1 Å²	55.1	41%	0.413	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	130.3	173	179.7	-175.8	174	-163.9	0	107.8	N37 E41 H52 Y53	N37-K39 PolarHBondContact O-N 3.07Å; K39-E41 WeakPolarHBondContact CE-OE1 3.12Å; K39-E41 IonicContact NZ-OE1 3.62Å; K39-E41 PolarHBondContact NZ-OE1 3.11Å; K39-H52 CarbonylContact C-O 3.55Å; K39-H52 VanDerWaalsContact CA-O 3.28Å; K39-H52 WeakPolarHBondContact CA-O 3.07Å; K39-Y53 HydrophobicContact CB-CD1 4.12Å; K39-Y53 HydrophobicContact CB-CE1 3.93Å; K39-Y53 HydrophobicContact CD-CE1 3.81Å; K39-Y53 WeakPolarHBondContact CE-OH 3.34Å; K39-Y53 HydrophobicContact CG-CD1 4.21Å; K39-Y53 HydrophobicContact CG-CE1 3.64Å
40	K	90.7	Very high	89.5	Confident	24 Å²	24	55.2 Å²	55.2	10%	0.104	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	113.7	169.7	-176.4	178.7	173.1	179.4	0	108.3	I42 S51 H52 P247 M249 M317	K40-I42 HydrophobicContact CG-CG1 4.43Å; K40-S51 CarbonylContact O-C 3.59Å; K40-S51 WeakPolarHBondContact O-CA 3.26Å; K40-H52 PolarHBondContact N-O 3.02Å; K40-H52 PolarHBondContact O-N 2.68Å; K40-P247 PolarHBondContact NZ-O 3.49Å; K40-M249 HydrophobicContact CD-SD 3.58Å; K40-M249 VanDerWaalsContact CD-SD 3.58Å; K40-M249 PolarHBondContact NZ-SD 3.23Å; K40-M317 HydrophobicContact CD-CE 3.6Å; K40-M317 HydrophobicContact CD-SD 4.32Å; K40-M317 HydrophobicContact CG-CE 4.4Å; K40-M317 VanDerWaalsContact NZ-CE 3.28Å; K40-M317 PolarHBondContact NZ-SD 3.36Å
41	E	91.2	Very high	90	Very high	91 Å²	91	53.9 Å²	53.9	43%	0.425	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.3	170.1	-60.5	-176.9	156.7	0	0	107.5	K39 K49	K39-E41 WeakPolarHBondContact CE-OE1 3.12Å; K39-E41 IonicContact NZ-OE1 3.62Å; K39-E41 PolarHBondContact NZ-OE1 3.11Å; E41-K49 VanDerWaalsContact CD-NZ 3.31Å; E41-K49 IonicContact OE1-NZ 3.92Å; E41-K49 PolarHBondContact OE1-NZ 2.94Å; E41-K49 IonicContact OE2-NZ 3.59Å
42	I	88.4	Confident	90.4	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.097	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-51.1	-174.9	-59	-176.4	0	0	0	108.4	K40 Y50 H52 P247 M249 I251	K40-I42 HydrophobicContact CG-CG1 4.43Å; I42-Y50 HydrophobicContact CB-CD1 3.88Å; I42-Y50 HydrophobicContact CD1-CD1 3.81Å; I42-Y50 HydrophobicContact CD1-CE1 3.66Å; I42-Y50 HydrophobicContact CG1-CD1 4.3Å; I42-Y50 HydrophobicContact CG2-CD1 4.15Å; I42-Y50 PolarHBondContact N-O 2.92Å; I42-H52 HydrophobicContact CD1-CB 4.22Å; I42-H52 WeakPolarHBondContact CD1-CD2 3.23Å; I42-P247 HydrophobicContact CG2-CB 3.73Å; I42-P247 HydrophobicContact CG2-CG 3.62Å; I42-M249 HydrophobicContact CD1-CE 4.24Å; I42-M249 HydrophobicContact CD1-SD 4.27Å; I42-I251 HydrophobicContact CD1-CG2 3.91Å
43	F	86.7	Confident	90.7	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.048	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.2	178.3	-50.8	-54.6	0	0	0	110.4	K49 Y50 C244 P247 F261 N264 C266	F43-K49 WeakPolarHBondContact O-CA 3.39Å; F43-Y50 HydrophobicContact CD2-CD1 4.1Å; F43-Y50 HydrophobicContact CD2-CG 4.45Å; F43-Y50 HydrophobicContact CE2-CD1 4.36Å; F43-Y50 PolarHBondContact N-O 3.24Å; F43-Y50 VanDerWaalsContact N-O 3.13Å; F43-Y50 PolarHBondContact O-N 2.8Å; F43-C244 HydrophobicContact CZ-CB 4.23Å; F43-P247 HydrophobicContact CE1-CG 4.13Å; F43-P247 HydrophobicContact CZ-CG 3.97Å; F43-F261 HydrophobicContact CE2-CD1 4.34Å; F43-N264 HydrophobicContact CB-CB 4.39Å; F43-N264 HydrophobicContact CD1-CB 3.4Å; F43-N264 HydrophobicContact CD2-CB 3.91Å; F43-N264 HydrophobicContact CE1-CB 3.51Å; F43-N264 VanDerWaalsContact CE1-O 3.27Å; F43-N264 WeakPolarHBondContact CE1-O 3.49Å; F43-N264 HydrophobicContact CE2-CB 4Å; F43-N264 HydrophobicContact CG-CB 3.61Å; F43-N264 HydrophobicContact CZ-CB 3.81Å; F43-C266 WeakPolarHBondContact CE2-SG 3.31Å; F43-C266 WeakPolarHBondContact CZ-SG 3.49Å
44	E	91.2	Very high	91	Very high	80 Å²	80	48.2 Å²	48.2	37%	0.374	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	116.3	172.3	-175.7	161.7	173.4	0	0	109	K49 K206 W207	E44-K49 HydrophobicContact CB-CG 4.42Å; E44-K49 HydrophobicContact CG-CB 4.49Å; E44-K49 HydrophobicContact CG-CD 4.29Å; E44-K49 HydrophobicContact CG-CG 4.42Å; E44-K49 IonicContact OE1-NZ 2.93Å; E44-K49 WeakPolarHBondContact OE2-CE 3.42Å; E44-K49 IonicContact OE2-NZ 3.46Å; E44-K49 PolarHBondContact OE2-NZ 2.9Å; E44-K206 WeakPolarHBondContact OE1-CE 3.49Å; E44-K206 IonicContact OE1-NZ 3.11Å; E44-K206 PolarHBondContact OE1-NZ 2.79Å; E44-W207 HydrophobicContact CG-CZ2 4.09Å
45	G	91	Very high	91.1	Very high	39 Å²	39	42.6 Å²	42.6	40%	0.402	22%	0.217	S	C	.	.			trans	-119.6	-167	167.8	0	0	0	0	0	110.3	Y48 W207	G45-Y48 PolarHBondContact N-O 3.13Å; G45-W207 VanDerWaalsContact O-CH2 3.27Å; G45-W207 WeakPolarHBondContact O-CH2 3.45Å
46	D	89.9	Confident	91.4	Very high	137 Å²	137	42.5 Å²	42.5	73%	0.733	22%	0.216	S	C	*	.	S	Bend	trans	-72.9	-32.8	-175.5	-67.2	-30.4	0	0	0	113.5	R62	D46-R62 WeakPolarHBondContact O-CD 3.45Å; D46-R62 PolarHBondContact O-NH1 2.82Å
47	N	92.8	Very high	91.7	Very high	92 Å²	92	42 Å²	42	49%	0.492	21%	0.212	S	C	.	.	S	Bend	trans	-117.5	-7.6	-174.5	-69.4	-35	0	0	0	114.1	R61 R62	N47-R61 WeakPolarHBondContact O-CA 3.32Å; N47-R62 HydrophobicContact CB-CB 4.39Å; N47-R62 PolarHBondContact O-N 2.79Å
48	Y	92.9	Very high	92	Very high	19 Å²	19	35.6 Å²	35.6	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.2	-172.8	-177.7	-89	0	0	0	110.3	G45 T59 I60 R61 D260 F261	G45-Y48 PolarHBondContact N-O 3.13Å; Y48-T59 HydrophobicContact CD2-CG2 4.3Å; Y48-T59 HydrophobicContact CE2-CG2 3.4Å; Y48-I60 CarbonylContact C-O 3.56Å; Y48-I60 VanDerWaalsContact CA-O 3.31Å; Y48-I60 WeakPolarHBondContact CA-O 3.45Å; Y48-R61 HydrophobicContact CD2-CG 3.79Å; Y48-R61 HydrophobicContact CE2-CG 4.12Å; Y48-D260 HydrophobicContact CD1-CB 4.3Å; Y48-D260 HydrophobicContact CD2-CB 4.06Å; Y48-D260 VanDerWaalsContact CD2-OD2 3.25Å; Y48-D260 WeakPolarHBondContact CD2-OD2 3.37Å; Y48-D260 HydrophobicContact CE1-CB 4.01Å; Y48-D260 HydrophobicContact CE2-CB 3.77Å; Y48-D260 VanDerWaalsContact CE2-OD2 3.23Å; Y48-D260 WeakPolarHBondContact CE2-OD2 3.37Å; Y48-D260 HydrophobicContact CG-CB 4.33Å; Y48-F261 WeakPolarHBondContact OH-CE1 3.49Å
49	K	94.5	Very high	92.3	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.9	170.9	173.6	174.5	-179.1	144.7	0	110.7	E41 F43 E44 S51 T59 I60 W207	E41-K49 VanDerWaalsContact CD-NZ 3.31Å; E41-K49 IonicContact OE1-NZ 3.92Å; E41-K49 PolarHBondContact OE1-NZ 2.94Å; E41-K49 IonicContact OE2-NZ 3.59Å; F43-K49 WeakPolarHBondContact O-CA 3.39Å; E44-K49 HydrophobicContact CB-CG 4.42Å; E44-K49 HydrophobicContact CG-CB 4.49Å; E44-K49 HydrophobicContact CG-CD 4.29Å; E44-K49 HydrophobicContact CG-CG 4.42Å; E44-K49 IonicContact OE1-NZ 2.93Å; E44-K49 WeakPolarHBondContact OE2-CE 3.42Å; E44-K49 IonicContact OE2-NZ 3.46Å; E44-K49 PolarHBondContact OE2-NZ 2.9Å; K49-S51 VanDerWaalsContact CE-OG 3.25Å; K49-S51 WeakPolarHBondContact CE-OG 3.26Å; K49-T59 CarbonylContact O-C 3.5Å; K49-T59 WeakPolarHBondContact O-CA 3.19Å; K49-I60 HydrophobicContact CB-CB 4.21Å; K49-I60 HydrophobicContact CD-CD1 4.28Å; K49-I60 PolarHBondContact N-O 3.39Å; K49-I60 PolarHBondContact O-N 2.69Å; K49-W207 HydrophobicContact CB-CH2 3.9Å; K49-W207 HydrophobicContact CB-CZ2 3.56Å; K49-W207 HydrophobicContact CD-CZ2 3.98Å; K49-W207 HydrophobicContact CG-CZ2 4.39Å
50	Y	93.9	Very high	92.4	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.4	174.2	-171.8	-112.2	0	0	0	110.7	I42 F43 H52 S57 Q58 T59 I251 F261	I42-Y50 HydrophobicContact CB-CD1 3.88Å; I42-Y50 HydrophobicContact CD1-CD1 3.81Å; I42-Y50 HydrophobicContact CD1-CE1 3.66Å; I42-Y50 HydrophobicContact CG1-CD1 4.3Å; I42-Y50 HydrophobicContact CG2-CD1 4.15Å; I42-Y50 PolarHBondContact N-O 2.92Å; F43-Y50 HydrophobicContact CD2-CD1 4.1Å; F43-Y50 HydrophobicContact CD2-CG 4.45Å; F43-Y50 HydrophobicContact CE2-CD1 4.36Å; F43-Y50 PolarHBondContact N-O 3.24Å; F43-Y50 VanDerWaalsContact N-O 3.13Å; F43-Y50 PolarHBondContact O-N 2.8Å; Y50-H52 AromaticContact CE1-CD2 3.53Å; Y50-H52 AromaticContact CE1-NE2 3.23Å; Y50-H52 WeakPolarHBondContact CE1-NE2 3.31Å; Y50-H52 AromaticContact CZ-CD2 3.69Å; Y50-H52 AromaticContact CZ-NE2 3.29Å; Y50-H52 VanDerWaalsContact CZ-NE2 3.29Å; Y50-H52 PolarHBondContact OH-NE2 2.87Å; Y50-S57 WeakPolarHBondContact OH-CB 3.5Å; Y50-Q58 WeakPolarHBondContact CA-O 3.41Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.3Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.4Å; Y50-I251 HydrophobicContact CE1-CB 4.39Å; Y50-I251 HydrophobicContact CE1-CD1 3.81Å; Y50-I251 HydrophobicContact CE1-CG2 4.2Å; Y50-F261 HydrophobicContact CD1-CE1 4.09Å; Y50-F261 AromaticContact CD2-CE1 3.96Å; Y50-F261 HydrophobicContact CD2-CE1 3.96Å; Y50-F261 HydrophobicContact CD2-CZ 4.16Å; Y50-F261 HydrophobicContact CE1-CE1 4.24Å; Y50-F261 HydrophobicContact CE1-CZ 4.41Å; Y50-F261 HydrophobicContact CE2-CE1 4.11Å; Y50-F261 AromaticContact CE2-CZ 3.88Å; Y50-F261 HydrophobicContact CE2-CZ 3.88Å; Y50-F261 AromaticContact CG-CE1 3.94Å; Y50-F261 HydrophobicContact CG-CE1 3.94Å
51	S	94.1	Very high	92.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.6	-177.3	-63.3	0	0	0	0	110.9	K40 K49 S57 Q58	K40-S51 CarbonylContact O-C 3.59Å; K40-S51 WeakPolarHBondContact O-CA 3.26Å; K49-S51 VanDerWaalsContact CE-OG 3.25Å; K49-S51 WeakPolarHBondContact CE-OG 3.26Å; S51-S57 CarbonylContact O-C 3.43Å; S51-S57 WeakPolarHBondContact O-CA 3.43Å; S51-Q58 PolarHBondContact N-O 2.88Å; S51-Q58 PolarHBondContact O-N 3.23Å
52	H	93	Very high	92.9	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.7	174	-83.1	-151.9	0	0	0	110.5	Y38 K39 K40 I42 Y50 V219 M249	Y38-H52 HydrophobicContact CE1-CB 4.24Å; K39-H52 CarbonylContact C-O 3.55Å; K39-H52 VanDerWaalsContact CA-O 3.28Å; K39-H52 WeakPolarHBondContact CA-O 3.07Å; K40-H52 PolarHBondContact N-O 3.02Å; K40-H52 PolarHBondContact O-N 2.68Å; I42-H52 HydrophobicContact CD1-CB 4.22Å; I42-H52 WeakPolarHBondContact CD1-CD2 3.23Å; Y50-H52 AromaticContact CE1-CD2 3.53Å; Y50-H52 AromaticContact CE1-NE2 3.23Å; Y50-H52 WeakPolarHBondContact CE1-NE2 3.31Å; Y50-H52 AromaticContact CZ-CD2 3.69Å; Y50-H52 AromaticContact CZ-NE2 3.29Å; Y50-H52 VanDerWaalsContact CZ-NE2 3.29Å; Y50-H52 PolarHBondContact OH-NE2 2.87Å; H52-V219 WeakPolarHBondContact CE1-CG1 2.97Å; H52-M249 HydrophobicContact CB-CE 4.45Å; H52-M249 VanDerWaalsContact CE1-CE 3.42Å; H52-M249 WeakPolarHBondContact CE1-CE 3.46Å; H52-M249 WeakPolarHBondContact ND1-CE 3.36Å
53	Y	93.8	Very high	93.1	Very high	20 Å²	20	30.7 Å²	30.7	8%	0.078	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	179.9	173.6	-66.2	-92.7	0	0	0	109.6	Y38 K39 Y55 Y56 Q58 I201	Y38-Y53 WeakPolarHBondContact O-CA 3.06Å; K39-Y53 HydrophobicContact CB-CD1 4.12Å; K39-Y53 HydrophobicContact CB-CE1 3.93Å; K39-Y53 HydrophobicContact CD-CE1 3.81Å; K39-Y53 WeakPolarHBondContact CE-OH 3.34Å; K39-Y53 HydrophobicContact CG-CD1 4.21Å; K39-Y53 HydrophobicContact CG-CE1 3.64Å; Y53-Y55 PolarHBondContact O-N 2.87Å; Y53-Y56 CarbonylContact C-O 3.56Å; Y53-Y56 WeakPolarHBondContact CA-O 3.24Å; Y53-Y56 PolarHBondContact N-O 2.87Å; Y53-Q58 HydrophobicContact CD2-CB 4.03Å; Y53-Q58 HydrophobicContact CE2-CB 3.68Å; Y53-Q58 HydrophobicContact CE2-CG 4.39Å; Y53-Q58 PolarHBondContact OH-OE1 2.88Å; Y53-I201 HydrophobicContact CD1-CB 4.38Å; Y53-I201 HydrophobicContact CD1-CG1 4.02Å; Y53-I201 HydrophobicContact CD1-CG2 3.86Å; Y53-I201 HydrophobicContact CD2-CG2 3.78Å; Y53-I201 HydrophobicContact CE1-CG2 3.89Å; Y53-I201 HydrophobicContact CE2-CG2 3.83Å; Y53-I201 HydrophobicContact CG-CB 4.48Å; Y53-I201 HydrophobicContact CG-CD1 4.11Å; Y53-I201 HydrophobicContact CG-CG1 3.98Å; Y53-I201 HydrophobicContact CG-CG2 3.79Å
54	Y	90.3	Very high	93.5	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.016	17%	0.171	C	C	.	.	S	Bend	trans	-63.3	125	169.5	-174.5	-118.8	0	0	0	109.6	E28 I29 L35 Y56 Y91 L191 T199	E28-Y54 HydrophobicContact CB-CE2 4.24Å; E28-Y54 PolarHBondContact N-OH 2.96Å; I29-Y54 HydrophobicContact CB-CE1 3.79Å; I29-Y54 HydrophobicContact CB-CE2 4.38Å; I29-Y54 HydrophobicContact CD1-CD1 4.17Å; I29-Y54 HydrophobicContact CD1-CE1 4.01Å; I29-Y54 HydrophobicContact CG1-CE1 4.46Å; I29-Y54 HydrophobicContact CG2-CE1 4.03Å; I29-Y54 PolarHBondContact N-OH 2.89Å; I29-Y54 VanDerWaalsContact N-OH 3.09Å; L35-Y54 HydrophobicContact CB-CD2 3.81Å; L35-Y54 HydrophobicContact CB-CE2 4.04Å; L35-Y54 HydrophobicContact CB-CG 4.36Å; L35-Y54 HydrophobicContact CD1-CD2 4.25Å; L35-Y54 HydrophobicContact CD1-CE2 3.88Å; L35-Y54 HydrophobicContact CD2-CD2 4.48Å; L35-Y54 HydrophobicContact CG-CD2 4.41Å; L35-Y54 HydrophobicContact CG-CE2 4.48Å; L35-Y54 WeakPolarHBondContact O-CB 3.32Å; Y54-Y56 PolarHBondContact O-N 3.11Å; Y54-Y91 HydrophobicContact CD1-CD1 4.24Å; Y54-Y91 HydrophobicContact CD1-CE1 4.37Å; Y54-L191 HydrophobicContact CE1-CD1 4.27Å; Y54-T199 HydrophobicContact CD1-CG2 4.43Å
55	Y	90.3	Very high	93.6	Very high	58 Å²	58	34 Å²	34	23%	0.227	18%	0.183	C	C	.	.	S	Bend	trans	65.4	-26.9	-175.4	-87	-110.7	0	0	0	117.5	Y53 Y91 F218 V219	Y53-Y55 PolarHBondContact O-N 2.87Å; Y55-Y91 HydrophobicContact CD2-CD1 4.42Å; Y55-Y91 WeakPolarHBondContact CE1-O 3.26Å; Y55-Y91 HydrophobicContact CG-CD1 4.06Å; Y55-F218 AromaticContact CD1-CD2 3.9Å; Y55-F218 HydrophobicContact CD1-CD2 3.9Å; Y55-F218 AromaticContact CD1-CE2 3.4Å; Y55-F218 HydrophobicContact CD1-CE2 3.4Å; Y55-F218 VanDerWaalsContact CD1-CE2 3.4Å; Y55-F218 HydrophobicContact CD1-CZ 4.5Å; Y55-F218 AromaticContact CE1-CE2 3.79Å; Y55-F218 HydrophobicContact CE1-CE2 3.79Å; Y55-F218 HydrophobicContact CG-CE2 4.26Å; Y55-F218 WeakPolarHBondContact O-CA 3.12Å; Y55-F218 VanDerWaalsContact O-CD2 3.26Å; Y55-F218 WeakPolarHBondContact O-CD2 3.44Å; Y55-V219 PolarHBondContact O-N 3Å
56	Y	94.4	Very high	93.4	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.4	-172.5	-66.5	-81.5	0	0	0	113.7	Y53 Y54 F90 Y91 I167 I201 E217	Y53-Y56 CarbonylContact C-O 3.56Å; Y53-Y56 WeakPolarHBondContact CA-O 3.24Å; Y53-Y56 PolarHBondContact N-O 2.87Å; Y54-Y56 PolarHBondContact O-N 3.11Å; Y56-F90 WeakPolarHBondContact OH-CA 3.15Å; Y56-F90 VanDerWaalsContact OH-CD2 3.3Å; Y56-F90 WeakPolarHBondContact OH-CD2 3.49Å; Y56-Y91 HydrophobicContact CD2-CD1 4.2Å; Y56-Y91 AromaticContact CD2-CE1 3.68Å; Y56-Y91 HydrophobicContact CD2-CE1 3.68Å; Y56-Y91 AromaticContact CD2-CZ 3.87Å; Y56-Y91 AromaticContact CE2-CD1 3.74Å; Y56-Y91 HydrophobicContact CE2-CD1 3.74Å; Y56-Y91 AromaticContact CE2-CD2 3.95Å; Y56-Y91 HydrophobicContact CE2-CD2 3.95Å; Y56-Y91 AromaticContact CE2-CE1 3.56Å; Y56-Y91 HydrophobicContact CE2-CE1 3.56Å; Y56-Y91 AromaticContact CE2-CE2 3.8Å; Y56-Y91 HydrophobicContact CE2-CE2 3.8Å; Y56-Y91 AromaticContact CE2-CG 3.92Å; Y56-Y91 HydrophobicContact CE2-CG 3.92Å; Y56-Y91 AromaticContact CE2-CZ 3.59Å; Y56-Y91 PolarHBondContact OH-N 2.85Å; Y56-I167 HydrophobicContact CE1-CD1 4.5Å; Y56-I201 HydrophobicContact CD2-CD1 3.79Å; Y56-I201 HydrophobicContact CG-CD1 4.15Å; Y56-E217 CarbonylContact C-O 3.53Å; Y56-E217 VanDerWaalsContact CA-O 3.25Å; Y56-E217 WeakPolarHBondContact CA-O 3.34Å
57	S	94	Very high	93.1	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.3	159	52.5	0	0	0	0	108.2	Y50 S51 Y216 E217	Y50-S57 WeakPolarHBondContact OH-CB 3.5Å; S51-S57 CarbonylContact O-C 3.43Å; S51-S57 WeakPolarHBondContact O-CA 3.43Å; S57-Y216 VanDerWaalsContact O-CA 3.22Å; S57-Y216 WeakPolarHBondContact O-CA 3.38Å; S57-E217 PolarHBondContact N-O 2.7Å; S57-E217 PolarHBondContact O-N 3.45Å; S57-E217 PolarHBondContact OG-O 3.19Å
58	Q	96	Very high	92.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.7	175.5	179.6	-175.5	67	0	0	107.9	Y50 S51 Y53 I60 K202 V214 E215 Y216	Y50-Q58 WeakPolarHBondContact CA-O 3.41Å; S51-Q58 PolarHBondContact N-O 2.88Å; S51-Q58 PolarHBondContact O-N 3.23Å; Y53-Q58 HydrophobicContact CD2-CB 4.03Å; Y53-Q58 HydrophobicContact CE2-CB 3.68Å; Y53-Q58 HydrophobicContact CE2-CG 4.39Å; Y53-Q58 PolarHBondContact OH-OE1 2.88Å; Q58-I60 HydrophobicContact CG-CD1 4.46Å; Q58-I60 HydrophobicContact CG-CG1 4.02Å; Q58-K202 PolarHBondContact NE2-O 2.72Å; Q58-V214 HydrophobicContact CG-CG1 3.8Å; Q58-E215 CarbonylContact C-O 3.55Å; Q58-E215 VanDerWaalsContact CA-O 3.31Å; Q58-E215 WeakPolarHBondContact CA-O 3.24Å; Q58-Y216 HydrophobicContact CB-CD1 3.96Å; Q58-Y216 HydrophobicContact CB-CE1 3.81Å; Q58-Y216 HydrophobicContact CG-CD1 4.16Å; Q58-Y216 HydrophobicContact CG-CE1 3.62Å; Q58-Y216 VanDerWaalsContact NE2-CE1 3.31Å; Q58-Y216 PolarHBondContact NE2-OH 3Å
59	T	95.4	Very high	91.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.3	168.6	-49.7	0	0	0	0	108.8	Y48 K49 Y50 R61 V214 E215	Y48-T59 HydrophobicContact CD2-CG2 4.3Å; Y48-T59 HydrophobicContact CE2-CG2 3.4Å; K49-T59 CarbonylContact O-C 3.5Å; K49-T59 WeakPolarHBondContact O-CA 3.19Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.3Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.4Å; T59-R61 HydrophobicContact CG2-CG 4.2Å; T59-R61 VanDerWaalsContact CG2-CZ 3.4Å; T59-V214 CarbonylContact O-C 3.51Å; T59-V214 WeakPolarHBondContact O-CA 3.4Å; T59-E215 PolarHBondContact N-O 3.41Å; T59-E215 PolarHBondContact O-N 3.24Å
60	I	96.5	Very high	90.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.5	175.8	-50.5	-174.5	0	0	0	108.4	Y48 K49 Q58 V203 W207 T212 L213 V214	Y48-I60 CarbonylContact C-O 3.56Å; Y48-I60 VanDerWaalsContact CA-O 3.31Å; Y48-I60 WeakPolarHBondContact CA-O 3.45Å; K49-I60 HydrophobicContact CB-CB 4.21Å; K49-I60 HydrophobicContact CD-CD1 4.28Å; K49-I60 PolarHBondContact N-O 3.39Å; K49-I60 PolarHBondContact O-N 2.69Å; Q58-I60 HydrophobicContact CG-CD1 4.46Å; Q58-I60 HydrophobicContact CG-CG1 4.02Å; I60-V203 HydrophobicContact CD1-CG1 4.45Å; I60-W207 HydrophobicContact CB-CD2 4.37Å; I60-W207 HydrophobicContact CB-CE3 4.25Å; I60-W207 HydrophobicContact CD1-CB 4.05Å; I60-W207 HydrophobicContact CD1-CD2 4.16Å; I60-W207 HydrophobicContact CD1-CG 3.76Å; I60-W207 HydrophobicContact CG2-CB 3.98Å; I60-W207 HydrophobicContact CG2-CD2 3.76Å; I60-W207 HydrophobicContact CG2-CE3 3.43Å; I60-W207 VanDerWaalsContact CG2-CE3 3.43Å; I60-W207 HydrophobicContact CG2-CG 4Å; I60-W207 HydrophobicContact CG2-CZ3 4.15Å; I60-T212 HydrophobicContact CG2-CG2 3.68Å; I60-L213 WeakPolarHBondContact CA-O 3.33Å; I60-V214 HydrophobicContact CB-CG2 4.47Å; I60-V214 HydrophobicContact CD1-CG2 4.41Å; I60-V214 HydrophobicContact CG1-CG1 4.13Å; I60-V214 HydrophobicContact CG1-CG2 4.07Å; I60-V214 HydrophobicContact CG2-CG2 4.04Å
61	R	95.4	Very high	90.1	Very high	22 Å²	22	41.7 Å²	41.7	8%	0.083	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.8	176.4	-57.2	-172.1	-150.5	73.5	-5.8	110.7	N47 Y48 T59 Q64 T212 L213 E215 D257	N47-R61 WeakPolarHBondContact O-CA 3.32Å; Y48-R61 HydrophobicContact CD2-CG 3.79Å; Y48-R61 HydrophobicContact CE2-CG 4.12Å; T59-R61 HydrophobicContact CG2-CG 4.2Å; T59-R61 VanDerWaalsContact CG2-CZ 3.4Å; R61-Q64 HydrophobicContact CB-CG 3.65Å; R61-Q64 WeakPolarHBondContact O-CG 3.48Å; R61-T212 WeakPolarHBondContact O-CA 3.16Å; R61-L213 PolarHBondContact N-O 2.88Å; R61-L213 PolarHBondContact O-N 3.27Å; R61-E215 IonicContact CZ-OE2 3.55Å; R61-E215 VanDerWaalsContact CZ-OE2 3.31Å; R61-E215 IonicContact NH1-OE2 3.64Å; R61-E215 PolarHBondContact NH1-OE2 2.85Å; R61-E215 IonicContact NH2-OE2 2.66Å; R61-E215 PolarHBondContact NH2-OE2 3.23Å; R61-D257 IonicContact CZ-OD1 3.56Å; R61-D257 IonicContact CZ-OD2 2.68Å; R61-D257 IonicContact NE-OD1 3.42Å; R61-D257 PolarHBondContact NE-OD1 3.18Å; R61-D257 IonicContact NH2-OD1 2.68Å; R61-D257 PolarHBondContact NH2-OD1 2.81Å; R61-D257 IonicContact NH2-OD2 3.81Å; R61-D257 PolarHBondContact NH2-OD2 2.79Å
62	R	95.5	Very high	89.8	Confident	56 Å²	56	48.7 Å²	48.7	21%	0.211	25%	0.248	C	C	.	.	S	Bend	trans	-81.5	164	173.4	-70.1	176.2	164.1	177	-10.3	111.3	D46 N47 Q64 K206 W207 E209	D46-R62 WeakPolarHBondContact O-CD 3.45Å; D46-R62 PolarHBondContact O-NH1 2.82Å; N47-R62 HydrophobicContact CB-CB 4.39Å; N47-R62 PolarHBondContact O-N 2.79Å; R62-Q64 VanDerWaalsContact C-N 3.25Å; R62-Q64 PolarHBondContact O-N 2.73Å; R62-Q64 PolarHBondContact O-NE2 3.36Å; R62-K206 PolarHBondContact NH2-O 2.66Å; R62-W207 HydrophobicContact CG-CE3 4.07Å; R62-W207 HydrophobicContact CG-CZ3 4.03Å; R62-E209 WeakPolarHBondContact CD-OE1 3.28Å; R62-E209 WeakPolarHBondContact CG-OE1 3.35Å; R62-E209 IonicContact CZ-OE1 3.95Å; R62-E209 IonicContact CZ-OE2 3.96Å; R62-E209 IonicContact NE-OE1 2.73Å; R62-E209 PolarHBondContact NE-OE1 3Å; R62-E209 IonicContact NE-OE2 3.56Å; R62-E209 IonicContact NH2-OE2 3.83Å
63	N	94.6	Very high	89.7	Confident	93 Å²	93	50 Å²	50	50%	0.497	25%	0.254	S	S	.	.	S	Bend	trans	58	28.2	174.2	-59.1	-53.3	0	0	0	115.8	R211	N63-R211 CarbonylContact C-O 3.55Å; N63-R211 WeakPolarHBondContact CA-O 3.05Å; N63-R211 PolarHBondContact N-O 3.43Å; N63-R211 PolarHBondContact O-NH2 3.47Å
64	Q	94.5	Very high	89.7	Confident	71 Å²	71	55.8 Å²	55.8	33%	0.332	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-84.4	151	179.8	-59.7	-56.1	-59.8	0	0	112.1	R61 R62 Y170 R211 L213	R61-Q64 HydrophobicContact CB-CG 3.65Å; R61-Q64 WeakPolarHBondContact O-CG 3.48Å; R62-Q64 VanDerWaalsContact C-N 3.25Å; R62-Q64 PolarHBondContact O-N 2.73Å; R62-Q64 PolarHBondContact O-NE2 3.36Å; Q64-Y170 HydrophobicContact CB-CE2 4.41Å; Q64-Y170 WeakPolarHBondContact O-CE2 3.29Å; Q64-Y170 PolarHBondContact O-OH 2.86Å; Q64-R211 PolarHBondContact N-O 3.36Å; Q64-R211 WeakPolarHBondContact O-CB 3.44Å; Q64-L213 HydrophobicContact CB-CB 3.83Å; Q64-L213 HydrophobicContact CG-CB 3.84Å
65	S	92.5	Very high	89.9	Confident	89 Å²	89	61.9 Å²	61.9	62%	0.622	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-79.5	150.1	168.5	-58.2	0	0	0	0	110.2	P67	S65-P67 WeakPolarHBondContact O-CD 3.21Å
66	L	88.1	Confident	90.1	Very high	30 Å²	30	59.6 Å²	59.6	16%	0.157	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.9	125.8	172.8	178.4	70.2	0	0	0	108.8	V68 I70 T158 Y170	L66-V68 HydrophobicContact CD2-CB 4.35Å; L66-V68 HydrophobicContact CG-CB 4.24Å; L66-V68 PolarHBondContact O-N 2.97Å; L66-I70 HydrophobicContact CD2-CG1 4.16Å; L66-T158 HydrophobicContact CD1-CG2 4.46Å; L66-Y170 HydrophobicContact CB-CD1 4.07Å; L66-Y170 HydrophobicContact CB-CE1 3.57Å; L66-Y170 HydrophobicContact CD1-CD1 3.22Å; L66-Y170 HydrophobicContact CD1-CE1 3.68Å; L66-Y170 HydrophobicContact CD1-CG 3.79Å; L66-Y170 HydrophobicContact CG-CD1 4.21Å; L66-Y170 HydrophobicContact CG-CE1 4.18Å; L66-Y170 PolarHBondContact N-OH 3.49Å; L66-Y170 VanDerWaalsContact N-OH 3.17Å
67	P	83.1	Confident	90	Very high	58 Å²	58	65.8 Å²	65.8	38%	0.377	33%	0.329	S	S	.	.	S	Bend	trans	-79.2	32.2	-177.1	32.5	-36.3	0	0	0	113.3	S65 L160 L213	S65-P67 WeakPolarHBondContact O-CD 3.21Å; P67-L160 HydrophobicContact CG-CD1 4.48Å; P67-L160 HydrophobicContact CG-CD2 3.94Å; P67-L213 HydrophobicContact CG-CD1 4.38Å
68	V	84.7	Confident	90	Very high	24 Å²	24	69.2 Å²	69.2	15%	0.145	35%	0.353	C	S	.	.	S	Bend	trans	-148.5	149.9	-175.1	-165.6	0	0	0	0	111.2	L66 F73 L132 L137 L160	L66-V68 HydrophobicContact CD2-CB 4.35Å; L66-V68 HydrophobicContact CG-CB 4.24Å; L66-V68 PolarHBondContact O-N 2.97Å; V68-F73 HydrophobicContact CG1-CE2 4.01Å; V68-F73 HydrophobicContact CG1-CZ 4.29Å; V68-L132 HydrophobicContact CG1-CD1 3.73Å; V68-L132 HydrophobicContact CG1-CD2 4.33Å; V68-L137 HydrophobicContact CB-CD2 4.44Å; V68-L137 HydrophobicContact CG1-CD2 3.98Å; V68-L137 HydrophobicContact CG2-CD2 3.64Å; V68-L160 HydrophobicContact CG2-CD2 3.21Å
69	V	75.9	Confident	89.9	Confident	84 Å²	84	73.3 Å²	73.3	51%	0.509	38%	0.375	S	S	.	.			trans	-73.4	124.7	171	-175.8	0	0	0	0	110.1	D71	V69-D71 PolarHBondContact O-N 3.02Å
70	I	73.4	Confident	89.8	Confident	107 Å²	107	78.6 Å²	78.6	55%	0.549	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-65.8	-35.9	-169.5	-62.3	171.4	0	0	0	112.9	L66 R72 F73	L66-I70 HydrophobicContact CD2-CG1 4.16Å; I70-R72 PolarHBondContact O-N 2.81Å; I70-R72 VanDerWaalsContact O-N 3.07Å; I70-F73 WeakPolarHBondContact O-CD2 3.47Å
71	D	76.2	Confident	89.6	Confident	150 Å²	150	85 Å²	85	80%	0.802	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-84.2	19.3	-165.4	-54.1	-29.1	0	0	0	115.1	V69	V69-D71 PolarHBondContact O-N 3.02Å
72	R	87.3	Confident	88.9	Confident	148 Å²	148	84.6 Å²	84.6	56%	0.558	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-117.9	5.7	-173.7	-71.5	-173.9	-176	-169.5	1.9	114.2	I70 L132 D134	I70-R72 PolarHBondContact O-N 2.81Å; I70-R72 VanDerWaalsContact O-N 3.07Å; R72-L132 HydrophobicContact CB-CD1 3.39Å; R72-L132 HydrophobicContact CB-CG 4.42Å; R72-D134 IonicContact NH1-OD2 2.66Å
73	F	92.8	Very high	88.1	Confident	30 Å²	30	88.1 Å²	88.1	13%	0.132	45%	0.448	C	S	.	.			trans	-84.1	139	-178.9	-77.6	-99.3	0	0	0	110.8	V68 I70 E130 I131 L132 A139 R141 T158	V68-F73 HydrophobicContact CG1-CE2 4.01Å; V68-F73 HydrophobicContact CG1-CZ 4.29Å; I70-F73 WeakPolarHBondContact O-CD2 3.47Å; F73-E130 HydrophobicContact CB-CB 3.93Å; F73-E130 HydrophobicContact CD1-CB 3.96Å; F73-E130 HydrophobicContact CG-CB 4.39Å; F73-I131 WeakPolarHBondContact CA-O 3.28Å; F73-L132 HydrophobicContact CD1-CB 3.94Å; F73-L132 HydrophobicContact CD2-CB 4.31Å; F73-L132 HydrophobicContact CD2-CD1 4.11Å; F73-L132 HydrophobicContact CE1-CB 3.86Å; F73-L132 HydrophobicContact CE2-CB 4.23Å; F73-L132 HydrophobicContact CE2-CD1 3.93Å; F73-L132 HydrophobicContact CG-CB 4.18Å; F73-L132 HydrophobicContact CZ-CB 4.01Å; F73-L132 HydrophobicContact CZ-CD1 4.39Å; F73-A139 HydrophobicContact CE1-CB 3.86Å; F73-A139 HydrophobicContact CZ-CB 3.79Å; F73-R141 HydrophobicContact CD1-CB 4.14Å; F73-R141 HydrophobicContact CE1-CB 3.94Å; F73-T158 HydrophobicContact CZ-CG2 4.38Å
74	E	93.4	Very high	87.2	Confident	140 Å²	140	85 Å²	85	65%	0.654	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.2	175.1	-64.8	178.7	179.8	0	0	109.9	E130 I131	E74-E130 CarbonylContact O-C 3.58Å; E74-E130 WeakPolarHBondContact O-CA 3.41Å; E74-I131 PolarHBondContact N-O 3.13Å; E74-I131 PolarHBondContact O-N 2.79Å
75	K	94.7	Very high	86.3	Confident	132 Å²	132	85.2 Å²	85.2	57%	0.574	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.4	178.5	-169.9	173.5	174.6	-141.1	0	111.3	E77	K75-E77 WeakPolarHBondContact CD-OE1 3.34Å; K75-E77 WeakPolarHBondContact CE-OE1 3.46Å; K75-E77 VanDerWaalsContact NZ-CD 3.27Å; K75-E77 IonicContact NZ-OE1 2.59Å; K75-E77 PolarHBondContact NZ-OE1 3.23Å; K75-E77 IonicContact NZ-OE2 2.69Å; K75-E77 PolarHBondContact NZ-OE2 2.85Å; K75-E77 VanDerWaalsContact NZ-OE2 3.08Å
76	L	94.5	Very high	86	Confident	11 Å²	11	82 Å²	82	6%	0.058	41%	0.413	C	S	.	.			trans	-103.3	103.4	176.8	-174.4	67.8	0	0	0	110.2	S78 K80 I100 S101 C129 I131	L76-S78 VanDerWaalsContact CD1-O 3.29Å; L76-S78 WeakPolarHBondContact CD1-O 3.44Å; L76-S78 WeakPolarHBondContact CG-O 3.46Å; L76-K80 HydrophobicContact CD1-CB 4.08Å; L76-I100 HydrophobicContact CD2-CB 4.32Å; L76-I100 HydrophobicContact CD2-CG2 3.69Å; L76-S101 WeakPolarHBondContact CD2-O 3.45Å; L76-C129 HydrophobicContact CB-CB 4.34Å; L76-C129 PolarHBondContact N-O 3.1Å; L76-I131 HydrophobicContact CB-CG2 4.4Å
77	E	92	Very high	85.8	Confident	132 Å²	132	89.7 Å²	89.7	62%	0.617	45%	0.445	S	S	*	.			trans	-87	-18.4	-175.9	-59.8	-70.5	179	0	0	114	K75	K75-E77 WeakPolarHBondContact CD-OE1 3.34Å; K75-E77 WeakPolarHBondContact CE-OE1 3.46Å; K75-E77 VanDerWaalsContact NZ-CD 3.27Å; K75-E77 IonicContact NZ-OE1 2.59Å; K75-E77 PolarHBondContact NZ-OE1 3.23Å; K75-E77 IonicContact NZ-OE2 2.69Å; K75-E77 PolarHBondContact NZ-OE2 2.85Å; K75-E77 VanDerWaalsContact NZ-OE2 3.08Å
78	S	93.9	Very high	86.1	Confident	77 Å²	77	87.4 Å²	87.4	54%	0.538	43%	0.429	S	S	.	.	S	Bend	trans	-150.8	159.2	-177.9	57.2	0	0	0	0	110.9	L76 K80	L76-S78 VanDerWaalsContact CD1-O 3.29Å; L76-S78 WeakPolarHBondContact CD1-O 3.44Å; L76-S78 WeakPolarHBondContact CG-O 3.46Å; S78-K80 PolarHBondContact O-N 3.4Å
79	D	94.6	Very high	86.4	Confident	86 Å²	86	90.7 Å²	90.7	46%	0.46	44%	0.443	S	S	.	.			trans	-57.5	132.2	175.6	-63.5	-4.5	0	0	0	109.8	I100 S101 H102	D79-I100 WeakPolarHBondContact CA-O 3.19Å; D79-S101 WeakPolarHBondContact OD1-CA 3.44Å; D79-S101 WeakPolarHBondContact OD1-CB 3.47Å; D79-S101 PolarHBondContact OD1-OG 3.46Å; D79-H102 IonicContact OD1-CE1 3.7Å; D79-H102 IonicContact OD1-CG 2.7Å; D79-H102 PolarHBondContact OD1-N 3.05Å; D79-H102 IonicContact OD1-ND1 3.08Å; D79-H102 PolarHBondContact OD1-ND1 2.82Å
80	K	92.6	Very high	87.1	Confident	111 Å²	111	87.1 Å²	87.1	48%	0.483	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.8	-175.5	-177.7	169	169.7	-176	0	110.4	L76 S78 F82 I100	L76-K80 HydrophobicContact CD1-CB 4.08Å; S78-K80 PolarHBondContact O-N 3.4Å; K80-F82 HydrophobicContact CB-CD2 4.3Å; K80-F82 HydrophobicContact CB-CE2 3.48Å; K80-F82 VanDerWaalsContact CB-CE2 3.48Å; K80-F82 HydrophobicContact CB-CZ 3.84Å; K80-F82 HydrophobicContact CD-CE1 3.9Å; K80-F82 HydrophobicContact CD-CE2 3.92Å; K80-F82 HydrophobicContact CD-CZ 3.38Å; K80-F82 HydrophobicContact CG-CD2 4.1Å; K80-F82 HydrophobicContact CG-CE1 4.17Å; K80-F82 HydrophobicContact CG-CE2 3.47Å; K80-F82 VanDerWaalsContact CG-CE2 3.47Å; K80-F82 HydrophobicContact CG-CZ 3.51Å; K80-F82 WeakPolarHBondContact O-CD2 3.22Å; K80-F82 VanDerWaalsContact O-CE2 3.26Å; K80-F82 WeakPolarHBondContact O-CE2 3.48Å; K80-I100 PolarHBondContact N-O 3.05Å; K80-I100 PolarHBondContact O-N 3.14Å
81	K	91.5	Very high	87.9	Confident	134 Å²	134	82.2 Å²	82.2	58%	0.583	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.3	171.1	-169	171	-177.3	171.6	0	109.3	T97 L98	K81-T97 WeakPolarHBondContact CE-OG1 3.46Å; K81-L98 CarbonylContact C-O 3.51Å; K81-L98 WeakPolarHBondContact CA-O 3.48Å
82	F	81.4	Confident	88.3	Confident	14 Å²	14	76.4 Å²	76.4	6%	0.061	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.3	-178.3	-68.5	-94.8	0	0	0	110.8	K80 L98 I100 I131	K80-F82 HydrophobicContact CB-CD2 4.3Å; K80-F82 HydrophobicContact CB-CE2 3.48Å; K80-F82 VanDerWaalsContact CB-CE2 3.48Å; K80-F82 HydrophobicContact CB-CZ 3.84Å; K80-F82 HydrophobicContact CD-CE1 3.9Å; K80-F82 HydrophobicContact CD-CE2 3.92Å; K80-F82 HydrophobicContact CD-CZ 3.38Å; K80-F82 HydrophobicContact CG-CD2 4.1Å; K80-F82 HydrophobicContact CG-CE1 4.17Å; K80-F82 HydrophobicContact CG-CE2 3.47Å; K80-F82 VanDerWaalsContact CG-CE2 3.47Å; K80-F82 HydrophobicContact CG-CZ 3.51Å; K80-F82 WeakPolarHBondContact O-CD2 3.22Å; K80-F82 VanDerWaalsContact O-CE2 3.26Å; K80-F82 WeakPolarHBondContact O-CE2 3.48Å; F82-L98 PolarHBondContact N-O 2.71Å; F82-L98 PolarHBondContact O-N 2.75Å; F82-I100 HydrophobicContact CD2-CB 4.25Å; F82-I100 HydrophobicContact CD2-CD1 3.56Å; F82-I100 HydrophobicContact CD2-CG1 3.8Å; F82-I100 HydrophobicContact CE2-CB 3.93Å; F82-I100 HydrophobicContact CE2-CD1 3.54Å; F82-I100 HydrophobicContact CE2-CG1 3.91Å; F82-I100 HydrophobicContact CG-CD1 4.28Å; F82-I100 HydrophobicContact CZ-CD1 4.23Å; F82-I131 HydrophobicContact CD1-CD1 4.45Å; F82-I131 HydrophobicContact CE1-CD1 3.58Å; F82-I131 HydrophobicContact CE2-CD1 3.72Å; F82-I131 HydrophobicContact CZ-CD1 3.14Å
83	N	77.5	Confident	88.2	Confident	130 Å²	130	70.3 Å²	70.3	70%	0.695	35%	0.35	S	S	*	.			trans	-87.5	114.3	158.8	-66.9	-18.9	0	0	0	106.7
84	I	76.1	Confident	88	Confident	28 Å²	28	73.9 Å²	73.9	14%	0.144	37%	0.371	C	S	.	.			trans	-68.6	135.4	-179.3	-51.2	150.3	0	0	0	108.3	F86 F88 V95 L98	I84-F86 WeakPolarHBondContact CB-O 3.29Å; I84-F86 HydrophobicContact CG2-CD1 3.68Å; I84-F86 HydrophobicContact CG2-CD2 3.5Å; I84-F86 VanDerWaalsContact CG2-CD2 3.5Å; I84-F86 HydrophobicContact CG2-CE1 3.61Å; I84-F86 HydrophobicContact CG2-CE2 3.46Å; I84-F86 VanDerWaalsContact CG2-CE2 3.46Å; I84-F86 HydrophobicContact CG2-CG 3.63Å; I84-F86 HydrophobicContact CG2-CZ 3.51Å; I84-F86 WeakPolarHBondContact CG2-O 3.44Å; I84-F86 PolarHBondContact O-N 2.68Å; I84-F88 HydrophobicContact CD1-CD1 4.09Å; I84-F88 HydrophobicContact CD1-CE1 3.46Å; I84-F88 VanDerWaalsContact CD1-CE1 3.46Å; I84-F88 HydrophobicContact CD1-CZ 4.39Å; I84-F88 HydrophobicContact CG1-CE1 4.5Å; I84-V95 HydrophobicContact CD1-CB 4.32Å; I84-V95 HydrophobicContact CD1-CG1 3.65Å; I84-L98 HydrophobicContact CD1-CD1 3.53Å; I84-L98 HydrophobicContact CD1-CD2 4.12Å; I84-L98 HydrophobicContact CD1-CG 3.5Å; I84-L98 VanDerWaalsContact CD1-CG 3.5Å; I84-L98 HydrophobicContact CG1-CD1 3.31Å; I84-L98 HydrophobicContact CG1-CG 3.62Å
85	P	76.4	Confident	87.9	Confident	74 Å²	74	68.1 Å²	68.1	48%	0.481	35%	0.345	S	S	.	.	S	Bend	trans	-71.5	-8.3	178.1	26.4	-31.3	0	0	0	113.7	D134	P85-D134 WeakPolarHBondContact CG-O 3.42Å
86	F	85.8	Confident	87.5	Confident	21 Å²	21	65 Å²	65	9%	0.092	34%	0.34	C	S	.	.	S	Bend	trans	-128.9	153.6	179.9	54.2	-97.6	0	0	0	110.9	I84 F88 K135 I161 H162 E163	I84-F86 WeakPolarHBondContact CB-O 3.29Å; I84-F86 HydrophobicContact CG2-CD1 3.68Å; I84-F86 HydrophobicContact CG2-CD2 3.5Å; I84-F86 VanDerWaalsContact CG2-CD2 3.5Å; I84-F86 HydrophobicContact CG2-CE1 3.61Å; I84-F86 HydrophobicContact CG2-CE2 3.46Å; I84-F86 VanDerWaalsContact CG2-CE2 3.46Å; I84-F86 HydrophobicContact CG2-CG 3.63Å; I84-F86 HydrophobicContact CG2-CZ 3.51Å; I84-F86 WeakPolarHBondContact CG2-O 3.44Å; I84-F86 PolarHBondContact O-N 2.68Å; F86-F88 AromaticContact CD2-CD1 3.87Å; F86-F88 HydrophobicContact CD2-CD1 3.87Å; F86-F88 AromaticContact CE2-CD1 3.6Å; F86-F88 HydrophobicContact CE2-CD1 3.6Å; F86-F88 HydrophobicContact CE2-CE1 4.07Å; F86-F88 HydrophobicContact CE2-CG 4.44Å; F86-K135 WeakPolarHBondContact CD1-O 3.35Å; F86-I161 HydrophobicContact CE2-CG2 4.1Å; F86-I161 HydrophobicContact CZ-CG2 4.23Å; F86-I161 WeakPolarHBondContact CZ-O 3.38Å; F86-H162 WeakPolarHBondContact CE2-O 3.47Å; F86-E163 HydrophobicContact CB-CB 4.01Å; F86-E163 HydrophobicContact CD1-CB 4.25Å; F86-E163 VanDerWaalsContact CD2-CA 3.46Å; F86-E163 HydrophobicContact CD2-CB 4.31Å; F86-E163 HydrophobicContact CG-CB 3.96Å
87	K	84.6	Confident	87.3	Confident	192 Å²	192	65.5 Å²	65.5	84%	0.835	34%	0.344	S	S	*	.			trans	-96.3	131.4	175.6	-65.1	-173.1	176.3	-171.3	0	109.5
88	F	89.7	Confident	87.4	Confident	10 Å²	10	59.2 Å²	59.2	4%	0.044	31%	0.314	C	S	.	.			trans	-145	166	171.1	77.3	-86.4	0	0	0	110.9	I84 F86 F90 V95 L98 I161	I84-F88 HydrophobicContact CD1-CD1 4.09Å; I84-F88 HydrophobicContact CD1-CE1 3.46Å; I84-F88 VanDerWaalsContact CD1-CE1 3.46Å; I84-F88 HydrophobicContact CD1-CZ 4.39Å; I84-F88 HydrophobicContact CG1-CE1 4.5Å; F86-F88 AromaticContact CD2-CD1 3.87Å; F86-F88 HydrophobicContact CD2-CD1 3.87Å; F86-F88 AromaticContact CE2-CD1 3.6Å; F86-F88 HydrophobicContact CE2-CD1 3.6Å; F86-F88 HydrophobicContact CE2-CE1 4.07Å; F86-F88 HydrophobicContact CE2-CG 4.44Å; F88-F90 HydrophobicContact CE2-CB 4.34Å; F88-V95 HydrophobicContact CD2-CG2 4.13Å; F88-V95 HydrophobicContact CE1-CB 4.23Å; F88-V95 HydrophobicContact CE1-CG1 4.34Å; F88-V95 HydrophobicContact CE1-CG2 4.24Å; F88-V95 HydrophobicContact CE2-CG2 3.67Å; F88-V95 HydrophobicContact CZ-CB 4.18Å; F88-V95 HydrophobicContact CZ-CG1 4.29Å; F88-V95 HydrophobicContact CZ-CG2 3.73Å; F88-V95 PolarHBondContact O-N 2.87Å; F88-L98 HydrophobicContact CZ-CD2 4.48Å; F88-I161 HydrophobicContact CD1-CG2 4.28Å; F88-I161 HydrophobicContact CE1-CG2 3.76Å; F88-I161 HydrophobicContact CE2-CG2 4.17Å; F88-I161 HydrophobicContact CZ-CD1 4.39Å; F88-I161 HydrophobicContact CZ-CG2 3.72Å
89	Q	89.5	Confident	87.5	Confident	94 Å²	94	57 Å²	57	44%	0.439	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.6	179.1	-71.6	-177.1	-13.6	0	0	112.1	T93 D94	Q89-T93 CarbonylContact C-O 3.54Å; Q89-T93 VanDerWaalsContact CA-O 3.23Å; Q89-T93 WeakPolarHBondContact CA-O 3.41Å; Q89-D94 WeakPolarHBondContact CG-OD1 3.36Å; Q89-D94 PolarHBondContact NE2-OD1 2.82Å
90	F	91.4	Very high	87.5	Confident	9 Å²	9	52.9 Å²	52.9	4%	0.039	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118	173	-172.2	-106.1	0	0	0	109.4	Y56 F88 G92 T93 V95 I108 G115 I117 I167 I187 L188	Y56-F90 WeakPolarHBondContact OH-CA 3.15Å; Y56-F90 VanDerWaalsContact OH-CD2 3.3Å; Y56-F90 WeakPolarHBondContact OH-CD2 3.49Å; F88-F90 HydrophobicContact CE2-CB 4.34Å; F90-G92 PolarHBondContact O-N 2.88Å; F90-G92 VanDerWaalsContact O-N 3.13Å; F90-T93 PolarHBondContact N-O 2.96Å; F90-T93 PolarHBondContact O-N 3.37Å; F90-V95 HydrophobicContact CB-CG2 3.59Å; F90-I108 HydrophobicContact CB-CD1 4.26Å; F90-I108 HydrophobicContact CB-CG2 3.95Å; F90-I108 HydrophobicContact CD1-CB 4.27Å; F90-I108 HydrophobicContact CD1-CD1 4.02Å; F90-I108 HydrophobicContact CD1-CG2 3.93Å; F90-I108 HydrophobicContact CD2-CD1 3.39Å; F90-I108 HydrophobicContact CE1-CD1 4.18Å; F90-I108 HydrophobicContact CE2-CD1 3.58Å; F90-I108 HydrophobicContact CG-CD1 3.62Å; F90-I108 HydrophobicContact CG-CG2 3.98Å; F90-I108 HydrophobicContact CZ-CD1 3.96Å; F90-G115 VanDerWaalsContact CE1-CA 3.49Å; F90-I117 HydrophobicContact CE2-CD1 4.22Å; F90-I117 HydrophobicContact CE2-CG1 4.24Å; F90-I167 HydrophobicContact CD2-CD1 3.95Å; F90-I167 HydrophobicContact CE2-CD1 3.87Å; F90-I187 HydrophobicContact CE2-CG2 3.61Å; F90-I187 HydrophobicContact CZ-CG2 3.62Å; F90-L188 WeakPolarHBondContact CZ-O 3.25Å
91	Y	89.8	Confident	87.6	Confident	3 Å²	3	47.7 Å²	47.7	1%	0.012	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	33.3	-168.2	-70.4	-80.4	0	0	0	114.5	Y27 Y54 Y55 Y56 T93 I187 T199 I201	Y27-Y91 WeakPolarHBondContact CE1-O 3.41Å; Y54-Y91 HydrophobicContact CD1-CD1 4.24Å; Y54-Y91 HydrophobicContact CD1-CE1 4.37Å; Y55-Y91 HydrophobicContact CD2-CD1 4.42Å; Y55-Y91 WeakPolarHBondContact CE1-O 3.26Å; Y55-Y91 HydrophobicContact CG-CD1 4.06Å; Y56-Y91 HydrophobicContact CD2-CD1 4.2Å; Y56-Y91 AromaticContact CD2-CE1 3.68Å; Y56-Y91 HydrophobicContact CD2-CE1 3.68Å; Y56-Y91 AromaticContact CD2-CZ 3.87Å; Y56-Y91 AromaticContact CE2-CD1 3.74Å; Y56-Y91 HydrophobicContact CE2-CD1 3.74Å; Y56-Y91 AromaticContact CE2-CD2 3.95Å; Y56-Y91 HydrophobicContact CE2-CD2 3.95Å; Y56-Y91 AromaticContact CE2-CE1 3.56Å; Y56-Y91 HydrophobicContact CE2-CE1 3.56Å; Y56-Y91 AromaticContact CE2-CE2 3.8Å; Y56-Y91 HydrophobicContact CE2-CE2 3.8Å; Y56-Y91 AromaticContact CE2-CG 3.92Å; Y56-Y91 HydrophobicContact CE2-CG 3.92Å; Y56-Y91 AromaticContact CE2-CZ 3.59Å; Y56-Y91 PolarHBondContact OH-N 2.85Å; Y91-T93 VanDerWaalsContact C-N 3.33Å; Y91-I187 HydrophobicContact CE2-CG2 4.07Å; Y91-T199 HydrophobicContact CD1-CG2 3.82Å; Y91-T199 HydrophobicContact CD2-CG2 4.45Å; Y91-T199 HydrophobicContact CE1-CG2 3.3Å; Y91-T199 HydrophobicContact CE2-CG2 3.99Å; Y91-T199 HydrophobicContact CG-CG2 4.37Å; Y91-I201 WeakPolarHBondContact OH-CD1 3.32Å
92	G	84.8	Confident	87.8	Confident	28 Å²	28	44 Å²	44	29%	0.289	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-5.1	179.7	0	0	0	0	0	115.1	F90	F90-G92 PolarHBondContact O-N 2.88Å; F90-G92 VanDerWaalsContact O-N 3.13Å
93	T	86.3	Confident	88.4	Confident	21 Å²	21	48.1 Å²	48.1	13%	0.129	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135	176.5	-38.5	0	0	0	0	110.1	Y27 Q89 F90 Y91 V95 E113	Y27-T93 PolarHBondContact OH-OG1 3.36Å; Q89-T93 CarbonylContact C-O 3.54Å; Q89-T93 VanDerWaalsContact CA-O 3.23Å; Q89-T93 WeakPolarHBondContact CA-O 3.41Å; F90-T93 PolarHBondContact N-O 2.96Å; F90-T93 PolarHBondContact O-N 3.37Å; Y91-T93 VanDerWaalsContact C-N 3.33Å; T93-V95 PolarHBondContact O-N 2.83Å; T93-E113 HydrophobicContact CG2-CB 4.35Å; T93-E113 HydrophobicContact CG2-CG 4.38Å; T93-E113 WeakPolarHBondContact OG1-CG 3.5Å
94	D	88.6	Confident	89.2	Confident	104 Å²	104	42 Å²	42	56%	0.556	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	127.8	171.5	-72.1	-18.7	0	0	0	110.3	Q89	Q89-D94 WeakPolarHBondContact CG-OD1 3.36Å; Q89-D94 PolarHBondContact NE2-OD1 2.82Å
95	V	90.7	Very high	90.1	Very high	19 Å²	19	43 Å²	43	12%	0.115	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-78	125	177.3	179.3	0	0	0	0	109.7	I84 F88 F90 T93 L98 I108	I84-V95 HydrophobicContact CD1-CB 4.32Å; I84-V95 HydrophobicContact CD1-CG1 3.65Å; F88-V95 HydrophobicContact CD2-CG2 4.13Å; F88-V95 HydrophobicContact CE1-CB 4.23Å; F88-V95 HydrophobicContact CE1-CG1 4.34Å; F88-V95 HydrophobicContact CE1-CG2 4.24Å; F88-V95 HydrophobicContact CE2-CG2 3.67Å; F88-V95 HydrophobicContact CZ-CB 4.18Å; F88-V95 HydrophobicContact CZ-CG1 4.29Å; F88-V95 HydrophobicContact CZ-CG2 3.73Å; F88-V95 PolarHBondContact O-N 2.87Å; F90-V95 HydrophobicContact CB-CG2 3.59Å; T93-V95 PolarHBondContact O-N 2.83Å; V95-L98 HydrophobicContact CG1-CD2 3.83Å; V95-L98 HydrophobicContact CG1-CG 4.37Å; V95-I108 HydrophobicContact CB-CG2 4.31Å; V95-I108 HydrophobicContact CG1-CG2 3.81Å; V95-I108 HydrophobicContact CG2-CG2 3.56Å
96	S	86.3	Confident	91.1	Very high	67 Å²	67	39.5 Å²	39.5	47%	0.469	20%	0.203	S	C	.	.			trans	-88.2	-47.6	178.8	70.4	0	0	0	0	112	H109	S96-H109 WeakPolarHBondContact CB-O 3.35Å; S96-H109 PolarHBondContact N-O 3.41Å; S96-H109 PolarHBondContact OG-O 3.04Å
97	T	90.8	Very high	91.5	Very high	22 Å²	22	42 Å²	42	14%	0.135	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	157.9	-176.8	58.1	0	0	0	0	110.5	K81 H109	K81-T97 WeakPolarHBondContact CE-OG1 3.46Å; T97-H109 PolarHBondContact N-O 2.92Å; T97-H109 PolarHBondContact O-N 2.72Å
98	L	93.4	Very high	92	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.6	171.6	-58.6	173.1	0	0	0	109.6	K81 F82 I84 F88 V95 I106 E107 I108 L138 I161	K81-L98 CarbonylContact C-O 3.51Å; K81-L98 WeakPolarHBondContact CA-O 3.48Å; F82-L98 PolarHBondContact N-O 2.71Å; F82-L98 PolarHBondContact O-N 2.75Å; I84-L98 HydrophobicContact CD1-CD1 3.53Å; I84-L98 HydrophobicContact CD1-CD2 4.12Å; I84-L98 HydrophobicContact CD1-CG 3.5Å; I84-L98 VanDerWaalsContact CD1-CG 3.5Å; I84-L98 HydrophobicContact CG1-CD1 3.31Å; I84-L98 HydrophobicContact CG1-CG 3.62Å; F88-L98 HydrophobicContact CZ-CD2 4.48Å; V95-L98 HydrophobicContact CG1-CD2 3.83Å; V95-L98 HydrophobicContact CG1-CG 4.37Å; L98-I106 HydrophobicContact CB-CG2 4.42Å; L98-I106 HydrophobicContact CD1-CG2 4.49Å; L98-I106 HydrophobicContact CD2-CG2 4.12Å; L98-E107 WeakPolarHBondContact CA-O 3.44Å; L98-I108 HydrophobicContact CD2-CB 4.18Å; L98-I108 HydrophobicContact CD2-CD1 4.41Å; L98-I108 HydrophobicContact CD2-CG1 3.66Å; L98-I108 HydrophobicContact CD2-CG2 4.29Å; L98-L138 HydrophobicContact CD1-CD2 3.53Å; L98-I161 HydrophobicContact CD1-CD1 4.42Å
99	T	95	Very high	92.1	Very high	30 Å²	30	35 Å²	35	18%	0.184	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.4	164.9	-52.1	0	0	0	0	108	E107 H109	T99-E107 PolarHBondContact N-O 2.8Å; T99-E107 PolarHBondContact O-N 3.12Å; T99-H109 PolarHBondContact OG1-NE2 2.97Å
100	I	95.4	Very high	91.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.2	177.1	-54.5	172.4	0	0	0	106.8	L76 D79 K80 F82 I106 I131 L138 V140	L76-I100 HydrophobicContact CD2-CB 4.32Å; L76-I100 HydrophobicContact CD2-CG2 3.69Å; D79-I100 WeakPolarHBondContact CA-O 3.19Å; K80-I100 PolarHBondContact N-O 3.05Å; K80-I100 PolarHBondContact O-N 3.14Å; F82-I100 HydrophobicContact CD2-CB 4.25Å; F82-I100 HydrophobicContact CD2-CD1 3.56Å; F82-I100 HydrophobicContact CD2-CG1 3.8Å; F82-I100 HydrophobicContact CE2-CB 3.93Å; F82-I100 HydrophobicContact CE2-CD1 3.54Å; F82-I100 HydrophobicContact CE2-CG1 3.91Å; F82-I100 HydrophobicContact CG-CD1 4.28Å; F82-I100 HydrophobicContact CZ-CD1 4.23Å; I100-I106 HydrophobicContact CG1-CG1 4.36Å; I100-I106 HydrophobicContact CG1-CG2 4.36Å; I100-I131 HydrophobicContact CD1-CD1 3.48Å; I100-I131 VanDerWaalsContact CD1-CD1 3.48Å; I100-I131 HydrophobicContact CD1-CG1 4.39Å; I100-L138 HydrophobicContact CD1-CD1 3.79Å; I100-L138 HydrophobicContact CD1-CD2 3.83Å; I100-L138 HydrophobicContact CD1-CG 4.28Å; I100-V140 HydrophobicContact CD1-CG2 3.83Å; I100-V140 HydrophobicContact CG1-CG2 4.41Å; I100-V140 HydrophobicContact CG2-CG1 3.93Å; I100-V140 HydrophobicContact CG2-CG2 3.83Å
101	S	95.4	Very high	91.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	21%	0.205	C	C	.	.			trans	-75	149.7	175.3	178.4	0	0	0	0	110.8	L76 D79 F103 G104 F105	L76-S101 WeakPolarHBondContact CD2-O 3.45Å; D79-S101 WeakPolarHBondContact OD1-CA 3.44Å; D79-S101 WeakPolarHBondContact OD1-CB 3.47Å; D79-S101 PolarHBondContact OD1-OG 3.46Å; S101-F103 PolarHBondContact O-N 3.45Å; S101-F103 VanDerWaalsContact O-N 3.14Å; S101-F103 PolarHBondContact OG-N 3.33Å; S101-F103 VanDerWaalsContact OG-N 3.11Å; S101-G104 WeakPolarHBondContact O-CA 3.31Å; S101-G104 PolarHBondContact O-N 3.12Å; S101-F105 PolarHBondContact N-O 2.81Å; S101-F105 VanDerWaalsContact OG-CE1 3.23Å; S101-F105 WeakPolarHBondContact OG-CE1 3.3Å; S101-F105 WeakPolarHBondContact OG-CZ 3.5Å
102	H	94.1	Very high	90.5	Very high	55 Å²	55	43.3 Å²	43.3	26%	0.255	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.2	166.6	69.1	-73.1	0	0	0	112.4	D79 G104 Y126 C129	D79-H102 IonicContact OD1-CE1 3.7Å; D79-H102 IonicContact OD1-CG 2.7Å; D79-H102 PolarHBondContact OD1-N 3.05Å; D79-H102 IonicContact OD1-ND1 3.08Å; D79-H102 PolarHBondContact OD1-ND1 2.82Å; H102-G104 VanDerWaalsContact C-N 3.27Å; H102-G104 PolarHBondContact O-N 2.79Å; H102-Y126 VanDerWaalsContact O-CZ 3.28Å; H102-Y126 PolarHBondContact O-OH 3.06Å; H102-C129 WeakPolarHBondContact O-CB 3.31Å
103	F	94.2	Very high	90.3	Very high	102 Å²	102	42.6 Å²	42.6	45%	0.447	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.6	170.2	-61.8	-65.2	0	0	0	114.2	S101 F105 Y126	S101-F103 PolarHBondContact O-N 3.45Å; S101-F103 VanDerWaalsContact O-N 3.14Å; S101-F103 PolarHBondContact OG-N 3.33Å; S101-F103 VanDerWaalsContact OG-N 3.11Å; F103-F105 HydrophobicContact CB-CD1 4.06Å; F103-F105 HydrophobicContact CB-CE1 4.09Å; F103-F105 HydrophobicContact CD2-CE1 4.32Å; F103-Y126 HydrophobicContact CD1-CD2 4.26Å; F103-Y126 HydrophobicContact CD1-CE2 4.26Å; F103-Y126 HydrophobicContact CD1-CG 4.42Å
104	G	94.5	Very high	90.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	85.8	9.9	172	0	0	0	0	0	116.5	S101 H102 Q142	S101-G104 WeakPolarHBondContact O-CA 3.31Å; S101-G104 PolarHBondContact O-N 3.12Å; H102-G104 VanDerWaalsContact C-N 3.27Å; H102-G104 PolarHBondContact O-N 2.79Å; G104-Q142 VanDerWaalsContact C-NE2 3.29Å; G104-Q142 PolarHBondContact O-NE2 2.88Å
105	F	95.6	Very high	90.8	Very high	50 Å²	50	38.8 Å²	38.8	22%	0.219	20%	0.202	C	C	.	.			trans	-84.3	149.4	166.4	64	-97.3	0	0	0	111.2	S101 F103 E107 L116 N118	S101-F105 PolarHBondContact N-O 2.81Å; S101-F105 VanDerWaalsContact OG-CE1 3.23Å; S101-F105 WeakPolarHBondContact OG-CE1 3.3Å; S101-F105 WeakPolarHBondContact OG-CZ 3.5Å; F103-F105 HydrophobicContact CB-CD1 4.06Å; F103-F105 HydrophobicContact CB-CE1 4.09Å; F103-F105 HydrophobicContact CD2-CE1 4.32Å; F105-E107 HydrophobicContact CD2-CG 4.04Å; F105-E107 HydrophobicContact CE2-CG 3.95Å; F105-L116 HydrophobicContact CB-CD1 4.05Å; F105-L116 HydrophobicContact CD2-CD1 3.62Å; F105-L116 HydrophobicContact CE2-CD1 4.46Å; F105-L116 HydrophobicContact CG-CD1 4.18Å; F105-N118 HydrophobicContact CB-CB 3.81Å; F105-N118 VanDerWaalsContact CB-OD1 3.32Å; F105-N118 WeakPolarHBondContact CB-OD1 3.11Å
106	I	96	Very high	91.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.5	-178.4	-51.4	176.4	0	0	0	108.7	L98 I100 L116 I117 V140 I159 I161	L98-I106 HydrophobicContact CB-CG2 4.42Å; L98-I106 HydrophobicContact CD1-CG2 4.49Å; L98-I106 HydrophobicContact CD2-CG2 4.12Å; I100-I106 HydrophobicContact CG1-CG1 4.36Å; I100-I106 HydrophobicContact CG1-CG2 4.36Å; I106-L116 WeakPolarHBondContact O-CA 3.41Å; I106-I117 HydrophobicContact CB-CB 4.3Å; I106-I117 PolarHBondContact N-O 2.95Å; I106-I117 PolarHBondContact O-N 2.79Å; I106-V140 HydrophobicContact CD1-CB 4.27Å; I106-V140 HydrophobicContact CD1-CG2 3.7Å; I106-V140 HydrophobicContact CG1-CG2 4.04Å; I106-I159 HydrophobicContact CD1-CB 4.37Å; I106-I159 HydrophobicContact CD1-CG2 3.72Å; I106-I161 HydrophobicContact CD1-CD1 3.96Å; I106-I161 HydrophobicContact CD1-CG1 4.46Å; I106-I161 HydrophobicContact CG2-CD1 4.34Å
107	E	96	Very high	91.6	Very high	75 Å²	75	36.5 Å²	36.5	35%	0.35	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.3	168.3	-60.1	-174.1	170.8	0	0	109.7	L98 T99 F105 H109 G115 L116	L98-E107 WeakPolarHBondContact CA-O 3.44Å; T99-E107 PolarHBondContact N-O 2.8Å; T99-E107 PolarHBondContact O-N 3.12Å; F105-E107 HydrophobicContact CD2-CG 4.04Å; F105-E107 HydrophobicContact CE2-CG 3.95Å; E107-H109 IonicContact OE2-CE1 3.81Å; E107-H109 IonicContact OE2-NE2 2.93Å; E107-G115 WeakPolarHBondContact CA-O 3.46Å; E107-L116 HydrophobicContact CG-CD1 4.07Å
108	I	94.3	Very high	91.9	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.8	177.1	-60.2	-171	0	0	0	108.5	F90 V95 L98 S114 G115 I117	F90-I108 HydrophobicContact CB-CD1 4.26Å; F90-I108 HydrophobicContact CB-CG2 3.95Å; F90-I108 HydrophobicContact CD1-CB 4.27Å; F90-I108 HydrophobicContact CD1-CD1 4.02Å; F90-I108 HydrophobicContact CD1-CG2 3.93Å; F90-I108 HydrophobicContact CD2-CD1 3.39Å; F90-I108 HydrophobicContact CE1-CD1 4.18Å; F90-I108 HydrophobicContact CE2-CD1 3.58Å; F90-I108 HydrophobicContact CG-CD1 3.62Å; F90-I108 HydrophobicContact CG-CG2 3.98Å; F90-I108 HydrophobicContact CZ-CD1 3.96Å; V95-I108 HydrophobicContact CB-CG2 4.31Å; V95-I108 HydrophobicContact CG1-CG2 3.81Å; V95-I108 HydrophobicContact CG2-CG2 3.56Å; L98-I108 HydrophobicContact CD2-CB 4.18Å; L98-I108 HydrophobicContact CD2-CD1 4.41Å; L98-I108 HydrophobicContact CD2-CG1 3.66Å; L98-I108 HydrophobicContact CD2-CG2 4.29Å; I108-S114 CarbonylContact O-C 3.57Å; I108-S114 WeakPolarHBondContact O-CA 3.48Å; I108-S114 VanDerWaalsContact O-CB 3.26Å; I108-S114 WeakPolarHBondContact O-CB 3.46Å; I108-G115 PolarHBondContact N-O 3.44Å; I108-G115 PolarHBondContact O-N 2.96Å; I108-I117 HydrophobicContact CD1-CD1 3.46Å; I108-I117 VanDerWaalsContact CD1-CD1 3.46Å; I108-I117 HydrophobicContact CD1-CG1 3.92Å; I108-I117 HydrophobicContact CG1-CD1 4.37Å
109	H	92	Very high	92.1	Very high	52 Å²	52	35.9 Å²	35.9	24%	0.241	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.7	176.3	-47.6	-74.7	0	0	0	110.3	S96 T97 T99 E107	S96-H109 WeakPolarHBondContact CB-O 3.35Å; S96-H109 PolarHBondContact N-O 3.41Å; S96-H109 PolarHBondContact OG-O 3.04Å; T97-H109 PolarHBondContact N-O 2.92Å; T97-H109 PolarHBondContact O-N 2.72Å; T99-H109 PolarHBondContact OG1-NE2 2.97Å; E107-H109 IonicContact OE2-CE1 3.81Å; E107-H109 IonicContact OE2-NE2 2.93Å
110	G	85.9	Confident	92	Very high	15 Å²	15	38.5 Å²	38.5	16%	0.155	19%	0.188	C	C	.	.			trans	-93.1	-174.1	163.8	0	0	0	0	0	111.6	E113	G110-E113 WeakPolarHBondContact CA-O 3.35Å; G110-E113 PolarHBondContact N-O 2.89Å
111	E	78.3	Confident	91.9	Very high	156 Å²	156	39.5 Å²	39.5	73%	0.729	19%	0.194	S	C	*	.	S	Bend	trans	-61.6	-48.1	176.8	-75.4	-166.7	163.1	0	0	111.9	K22	K22-E111 IonicContact NZ-OE2 2.69Å; K22-E111 PolarHBondContact NZ-OE2 2.89Å
112	E	73.5	Confident	91.6	Very high	110 Å²	110	45.2 Å²	45.2	51%	0.514	22%	0.218	S	C	.	.	S	Bend	trans	-117.6	-19.4	-177.7	-61.4	-171.6	168.4	0	0	112.8
113	E	80.7	Confident	91.2	Very high	13 Å²	13	49.6 Å²	49.6	6%	0.061	23%	0.232	C	C	.	.			trans	-113.3	155.7	-172.6	-53.9	-56.4	-173.3	0	0	112.9	Y27 T93 G110 L191 F192	Y27-E113 HydrophobicContact CE2-CG 4.14Å; Y27-E113 WeakPolarHBondContact CE2-OE1 3.46Å; Y27-E113 VanDerWaalsContact OH-CG 3.28Å; Y27-E113 WeakPolarHBondContact OH-CG 3.29Å; T93-E113 HydrophobicContact CG2-CB 4.35Å; T93-E113 HydrophobicContact CG2-CG 4.38Å; T93-E113 WeakPolarHBondContact OG1-CG 3.5Å; G110-E113 WeakPolarHBondContact CA-O 3.35Å; G110-E113 PolarHBondContact N-O 2.89Å; E113-L191 VanDerWaalsContact OE2-C 3.26Å; E113-L191 WeakPolarHBondContact OE2-CA 3.43Å; E113-F192 VanDerWaalsContact CD-N 3.28Å; E113-F192 PolarHBondContact OE1-N 3.17Å; E113-F192 PolarHBondContact OE2-N 3.34Å
114	S	90.3	Very high	91.1	Very high	36 Å²	36	45.9 Å²	45.9	25%	0.252	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	164.9	175.7	72.1	0	0	0	0	111.3	I108 K190	I108-S114 CarbonylContact O-C 3.57Å; I108-S114 WeakPolarHBondContact O-CA 3.48Å; I108-S114 VanDerWaalsContact O-CB 3.26Å; I108-S114 WeakPolarHBondContact O-CB 3.46Å; S114-K190 PolarHBondContact N-O 2.9Å; S114-K190 WeakPolarHBondContact O-CA 3.31Å; S114-K190 WeakPolarHBondContact O-CB 3.39Å; S114-K190 PolarHBondContact O-N 3.02Å; S114-K190 WeakPolarHBondContact OG-CD 3.27Å
115	G	95	Very high	91.1	Very high	8 Å²	8	49.6 Å²	49.6	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	165.6	-178.5	0	0	0	0	0	112.6	F90 E107 I108 L188	F90-G115 VanDerWaalsContact CE1-CA 3.49Å; E107-G115 WeakPolarHBondContact CA-O 3.46Å; I108-G115 PolarHBondContact N-O 3.44Å; I108-G115 PolarHBondContact O-N 2.96Å; G115-L188 CarbonylContact C-O 3.51Å; G115-L188 WeakPolarHBondContact CA-O 3.44Å
116	L	96.2	Very high	91.1	Very high	39 Å²	39	50.8 Å²	50.8	20%	0.204	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.8	169	-175.9	71.9	0	0	0	108.4	F105 I106 E107 N118 F120 L188	F105-L116 HydrophobicContact CB-CD1 4.05Å; F105-L116 HydrophobicContact CD2-CD1 3.62Å; F105-L116 HydrophobicContact CE2-CD1 4.46Å; F105-L116 HydrophobicContact CG-CD1 4.18Å; I106-L116 WeakPolarHBondContact O-CA 3.41Å; E107-L116 HydrophobicContact CG-CD1 4.07Å; L116-N118 HydrophobicContact CG-CB 4.35Å; L116-F120 HydrophobicContact CD2-CE2 4.35Å; L116-F120 HydrophobicContact CD2-CZ 3.95Å; L116-L188 HydrophobicContact CB-CB 4.09Å; L116-L188 HydrophobicContact CB-CD2 4.23Å; L116-L188 PolarHBondContact N-O 3.28Å; L116-L188 PolarHBondContact O-N 3.13Å
117	I	97.5	Very high	91.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120	168.9	-57.6	176.1	0	0	0	106.6	F90 I106 I108 I159 I161 I167 F169 I187	F90-I117 HydrophobicContact CE2-CD1 4.22Å; F90-I117 HydrophobicContact CE2-CG1 4.24Å; I106-I117 HydrophobicContact CB-CB 4.3Å; I106-I117 PolarHBondContact N-O 2.95Å; I106-I117 PolarHBondContact O-N 2.79Å; I108-I117 HydrophobicContact CD1-CD1 3.46Å; I108-I117 VanDerWaalsContact CD1-CD1 3.46Å; I108-I117 HydrophobicContact CD1-CG1 3.92Å; I108-I117 HydrophobicContact CG1-CD1 4.37Å; I117-I159 HydrophobicContact CG2-CD1 4.32Å; I117-I159 HydrophobicContact CG2-CG2 3.67Å; I117-I161 HydrophobicContact CD1-CD1 3.99Å; I117-I167 HydrophobicContact CD1-CD1 3.64Å; I117-I167 HydrophobicContact CD1-CG1 4Å; I117-I167 HydrophobicContact CD1-CG2 3.96Å; I117-I167 HydrophobicContact CG2-CG2 4.16Å; I117-F169 HydrophobicContact CG2-CE1 3.4Å; I117-F169 VanDerWaalsContact CG2-CE1 3.4Å; I117-F169 HydrophobicContact CG2-CZ 3.76Å; I117-I187 HydrophobicContact CG1-CG1 4.49Å; I117-I187 HydrophobicContact CG2-CG1 4.42Å
118	N	96.3	Very high	91.1	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.7	-177.6	-164.2	22.3	0	0	0	114.2	F105 L116 F120 Q142 S185 E186	F105-N118 HydrophobicContact CB-CB 3.81Å; F105-N118 VanDerWaalsContact CB-OD1 3.32Å; F105-N118 WeakPolarHBondContact CB-OD1 3.11Å; L116-N118 HydrophobicContact CG-CB 4.35Å; N118-F120 HydrophobicContact CB-CD2 4.04Å; N118-F120 HydrophobicContact CB-CE2 3.7Å; N118-F120 HydrophobicContact CB-CZ 4.11Å; N118-F120 WeakPolarHBondContact ND2-CD1 3.48Å; N118-F120 VanDerWaalsContact ND2-CD2 3.31Å; N118-F120 WeakPolarHBondContact ND2-CD2 3.41Å; N118-F120 WeakPolarHBondContact ND2-CE1 3.42Å; N118-F120 WeakPolarHBondContact ND2-CE2 3.25Å; N118-F120 WeakPolarHBondContact ND2-CG 3.45Å; N118-F120 WeakPolarHBondContact ND2-CZ 3.26Å; N118-Q142 PolarHBondContact OD1-NE2 2.99Å; N118-S185 CarbonylContact O-C 3.59Å; N118-S185 WeakPolarHBondContact O-CA 3.48Å; N118-E186 PolarHBondContact N-O 2.93Å; N118-E186 PolarHBondContact O-N 3.43Å
119	I	97.1	Very high	91.2	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	101.3	162.7	-56.5	175.3	0	0	0	106.7	L121 Q142 V157 I159 F169 I183	I119-L121 HydrophobicContact CG2-CG 4.39Å; I119-Q142 PolarHBondContact O-OE1 2.97Å; I119-V157 HydrophobicContact CB-CG2 4.19Å; I119-V157 HydrophobicContact CD1-CB 3.74Å; I119-V157 HydrophobicContact CD1-CG1 4.48Å; I119-V157 HydrophobicContact CD1-CG2 3.84Å; I119-V157 HydrophobicContact CG2-CB 4.47Å; I119-V157 HydrophobicContact CG2-CG1 4.45Å; I119-V157 HydrophobicContact CG2-CG2 3.98Å; I119-I159 HydrophobicContact CD1-CD1 4.48Å; I119-I159 HydrophobicContact CD1-CG1 3.84Å; I119-I159 HydrophobicContact CG1-CD1 4.17Å; I119-I159 HydrophobicContact CG1-CG1 4.04Å; I119-F169 HydrophobicContact CD1-CB 4.29Å; I119-F169 HydrophobicContact CD1-CD1 4.28Å; I119-F169 HydrophobicContact CD1-CG 4.29Å; I119-F169 HydrophobicContact CG1-CD1 4.4Å; I119-F169 HydrophobicContact CG1-CG 4.49Å; I119-I183 HydrophobicContact CG2-CD1 4.08Å; I119-I183 HydrophobicContact CG2-CG1 4.04Å
120	F	94.2	Very high	91.3	Very high	85 Å²	85	51.6 Å²	51.6	37%	0.373	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.2	177.9	-69.4	-84.8	0	0	0	110	L116 N118 I183 Q184	L116-F120 HydrophobicContact CD2-CE2 4.35Å; L116-F120 HydrophobicContact CD2-CZ 3.95Å; N118-F120 HydrophobicContact CB-CD2 4.04Å; N118-F120 HydrophobicContact CB-CE2 3.7Å; N118-F120 HydrophobicContact CB-CZ 4.11Å; N118-F120 WeakPolarHBondContact ND2-CD1 3.48Å; N118-F120 VanDerWaalsContact ND2-CD2 3.31Å; N118-F120 WeakPolarHBondContact ND2-CD2 3.41Å; N118-F120 WeakPolarHBondContact ND2-CE1 3.42Å; N118-F120 WeakPolarHBondContact ND2-CE2 3.25Å; N118-F120 WeakPolarHBondContact ND2-CG 3.45Å; N118-F120 WeakPolarHBondContact ND2-CZ 3.26Å; F120-I183 WeakPolarHBondContact O-CA 3.42Å; F120-Q184 HydrophobicContact CB-CB 4.49Å; F120-Q184 PolarHBondContact N-O 3.48Å; F120-Q184 PolarHBondContact O-N 2.81Å
121	L	93.7	Very high	91.7	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.115	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	92.2	177.6	-70.7	163.7	0	0	0	110.3	I119 S124 H144 I155 V157 D182 I183	I119-L121 HydrophobicContact CG2-CG 4.39Å; L121-S124 WeakPolarHBondContact CB-OG 3.04Å; L121-S124 PolarHBondContact O-OG 3.39Å; L121-H144 HydrophobicContact CD1-CB 4.07Å; L121-H144 WeakPolarHBondContact CD1-CD2 3.39Å; L121-I155 HydrophobicContact CD1-CG2 3.72Å; L121-I155 HydrophobicContact CD2-CD1 3.95Å; L121-I155 HydrophobicContact CD2-CG2 3.8Å; L121-I155 HydrophobicContact CG-CG2 4.44Å; L121-V157 HydrophobicContact CD1-CG2 4.17Å; L121-D182 CarbonylContact C-O 3.45Å; L121-D182 WeakPolarHBondContact CA-O 3.2Å; L121-I183 HydrophobicContact CD2-CB 4.09Å; L121-I183 HydrophobicContact CD2-CD1 3.49Å; L121-I183 VanDerWaalsContact CD2-CD1 3.49Å; L121-I183 HydrophobicContact CD2-CG1 3.72Å
122	K	89.1	Confident	92.4	Very high	122 Å²	122	44.5 Å²	44.5	53%	0.53	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	153.3	176.8	-72	175.9	177.1	175.7	0	110.3	S124 E181 D182	K122-S124 PolarHBondContact O-N 3.42Å; K122-E181 WeakPolarHBondContact CB-O 3.04Å; K122-E181 WeakPolarHBondContact CD-O 3.41Å; K122-D182 PolarHBondContact N-O 3.09Å
123	R	85.8	Confident	93.1	Very high	146 Å²	146	42.9 Å²	42.9	55%	0.551	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	17.4	-180	-54	-172.9	-74	-138.9	3	114.3	Q146 T179 E181 D182	R123-Q146 PolarHBondContact O-NE2 2.84Å; R123-Q146 PolarHBondContact O-OE1 2.79Å; R123-T179 PolarHBondContact NH2-OG1 2.9Å; R123-E181 IonicContact CZ-OE2 2.72Å; R123-E181 IonicContact NH1-OE2 3.99Å; R123-E181 PolarHBondContact NH1-OE2 2.86Å; R123-E181 IonicContact NH2-OE2 2.81Å; R123-D182 IonicContact CZ-OD1 3.65Å; R123-D182 IonicContact NE-OD1 3.84Å; R123-D182 PolarHBondContact NE-OD1 2.92Å; R123-D182 IonicContact NH2-OD1 3.15Å; R123-D182 PolarHBondContact NH2-OD1 2.9Å; R123-D182 IonicContact NH2-OD2 3.73Å; R123-D182 PolarHBondContact NH2-OD2 2.88Å; R123-D182 VanDerWaalsContact NH2-OD2 3.11Å
124	S	92.1	Very high	93.4	Very high	25 Å²	25	45.6 Å²	45.6	18%	0.175	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	153.8	177.8	74.7	0	0	0	0	110.8	L121 K122 H144 N145 Q146	L121-S124 WeakPolarHBondContact CB-OG 3.04Å; L121-S124 PolarHBondContact O-OG 3.39Å; K122-S124 PolarHBondContact O-N 3.42Å; S124-H144 PolarHBondContact OG-ND1 3.44Å; S124-N145 CarbonylContact C-O 3.55Å; S124-N145 WeakPolarHBondContact CA-O 3.42Å; S124-Q146 VanDerWaalsContact CB-OE1 3.3Å
125	V	94.4	Very high	93.2	Very high	78 Å²	78	51.8 Å²	51.8	47%	0.473	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.4	171.2	-177.7	0	0	0	0	108	L127 H144 N145	V125-L127 HydrophobicContact CG1-CD2 4.44Å; V125-H144 CarbonylContact O-C 3.46Å; V125-H144 WeakPolarHBondContact O-CA 3.46Å; V125-N145 HydrophobicContact CB-CB 4.5Å; V125-N145 PolarHBondContact N-O 3.39Å; V125-N145 PolarHBondContact O-N 2.96Å
126	Y	94.8	Very high	93	Very high	75 Å²	75	57.2 Å²	57.2	29%	0.294	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.2	174.5	171.1	-92	0	0	0	110.7	H102 F103 G128 C129 H144	H102-Y126 VanDerWaalsContact O-CZ 3.28Å; H102-Y126 PolarHBondContact O-OH 3.06Å; F103-Y126 HydrophobicContact CD1-CD2 4.26Å; F103-Y126 HydrophobicContact CD1-CE2 4.26Å; F103-Y126 HydrophobicContact CD1-CG 4.42Å; Y126-G128 VanDerWaalsContact CZ-C 3.44Å; Y126-G128 VanDerWaalsContact OH-C 3.23Å; Y126-G128 WeakPolarHBondContact OH-CA 3.37Å; Y126-C129 HydrophobicContact CE2-CB 4.45Å; Y126-C129 PolarHBondContact OH-N 3.04Å; Y126-H144 AromaticContact CD2-CE1 3.7Å; Y126-H144 AromaticContact CD2-NE2 3.59Å
127	L	95.7	Very high	92.7	Very high	91 Å²	91	56.4 Å²	56.4	48%	0.476	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-32.3	179.4	-55.9	176	0	0	0	112.4	V125 L143	V125-L127 HydrophobicContact CG1-CD2 4.44Å; L127-L143 WeakPolarHBondContact CA-O 3.15Å; L127-L143 HydrophobicContact CB-CB 4.09Å; L127-L143 WeakPolarHBondContact CB-O 3.23Å; L127-L143 PolarHBondContact N-O 2.79Å
128	G	95.5	Very high	92.5	Very high	5 Å²	5	56.6 Å²	56.6	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	166.7	-177.4	0	0	0	0	0	113.3	Y126 L143	Y126-G128 VanDerWaalsContact CZ-C 3.44Å; Y126-G128 VanDerWaalsContact OH-C 3.23Å; Y126-G128 WeakPolarHBondContact OH-CA 3.37Å; G128-L143 PolarHBondContact N-O 2.9Å; G128-L143 PolarHBondContact O-N 2.87Å
129	C	96.3	Very high	92.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139	169.1	-177.6	0	0	0	0	108.5	L76 H102 Y126 V140 R141	L76-C129 HydrophobicContact CB-CB 4.34Å; L76-C129 PolarHBondContact N-O 3.1Å; H102-C129 WeakPolarHBondContact O-CB 3.31Å; Y126-C129 HydrophobicContact CE2-CB 4.45Å; Y126-C129 PolarHBondContact OH-N 3.04Å; C129-V140 VanDerWaalsContact SG-CG1 3.58Å; C129-R141 CarbonylContact C-O 3.59Å; C129-R141 VanDerWaalsContact CA-O 3.27Å; C129-R141 WeakPolarHBondContact CA-O 3.41Å
130	E	95.5	Very high	92.3	Very high	50 Å²	50	56.2 Å²	56.2	23%	0.234	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.1	174.1	-45.3	177.9	144.3	0	0	109.3	F73 E74 V140 R141 L143	F73-E130 HydrophobicContact CB-CB 3.93Å; F73-E130 HydrophobicContact CD1-CB 3.96Å; F73-E130 HydrophobicContact CG-CB 4.39Å; E74-E130 CarbonylContact O-C 3.58Å; E74-E130 WeakPolarHBondContact O-CA 3.41Å; E130-V140 CarbonylContact O-C 3.53Å; E130-V140 WeakPolarHBondContact O-CA 2.93Å; E130-R141 HydrophobicContact CB-CB 4.31Å; E130-R141 PolarHBondContact N-O 3.32Å; E130-R141 PolarHBondContact O-N 3.04Å; E130-R141 WeakPolarHBondContact OE2-CD 3.36Å; E130-R141 IonicContact OE2-CZ 3.02Å; E130-R141 IonicContact OE2-NE 3.31Å; E130-R141 IonicContact OE2-NH1 2.67Å; E130-R141 PolarHBondContact OE2-NH1 2.78Å; E130-L143 HydrophobicContact CG-CD1 4.1Å
131	I	94.1	Very high	92.4	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.062	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.1	-179	-170.4	179.4	0	0	0	110.5	F73 E74 L76 F82 I100 L138 A139	F73-I131 WeakPolarHBondContact CA-O 3.28Å; E74-I131 PolarHBondContact N-O 3.13Å; E74-I131 PolarHBondContact O-N 2.79Å; L76-I131 HydrophobicContact CB-CG2 4.4Å; F82-I131 HydrophobicContact CD1-CD1 4.45Å; F82-I131 HydrophobicContact CE1-CD1 3.58Å; F82-I131 HydrophobicContact CE2-CD1 3.72Å; F82-I131 HydrophobicContact CZ-CD1 3.14Å; I100-I131 HydrophobicContact CD1-CD1 3.48Å; I100-I131 VanDerWaalsContact CD1-CD1 3.48Å; I100-I131 HydrophobicContact CD1-CG1 4.39Å; I131-L138 HydrophobicContact CD1-CD1 3.89Å; I131-L138 HydrophobicContact CG1-CD1 3.98Å; I131-A139 CarbonylContact C-O 3.52Å; I131-A139 WeakPolarHBondContact CA-O 3.45Å
132	L	92.3	Very high	92.5	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.3	165.6	175.6	149.5	0	0	0	107.8	V68 R72 F73 D134 L137 L138 A139	V68-L132 HydrophobicContact CG1-CD1 3.73Å; V68-L132 HydrophobicContact CG1-CD2 4.33Å; R72-L132 HydrophobicContact CB-CD1 3.39Å; R72-L132 HydrophobicContact CB-CG 4.42Å; F73-L132 HydrophobicContact CD1-CB 3.94Å; F73-L132 HydrophobicContact CD2-CB 4.31Å; F73-L132 HydrophobicContact CD2-CD1 4.11Å; F73-L132 HydrophobicContact CE1-CB 3.86Å; F73-L132 HydrophobicContact CE2-CB 4.23Å; F73-L132 HydrophobicContact CE2-CD1 3.93Å; F73-L132 HydrophobicContact CG-CB 4.18Å; F73-L132 HydrophobicContact CZ-CB 4.01Å; F73-L132 HydrophobicContact CZ-CD1 4.39Å; L132-D134 HydrophobicContact CD2-CB 4.12Å; L132-L137 HydrophobicContact CD2-CD2 4Å; L132-L137 HydrophobicContact CD2-CG 4.37Å; L132-L138 CarbonylContact O-C 3.5Å; L132-L138 WeakPolarHBondContact O-CA 3.18Å; L132-A139 HydrophobicContact CB-CB 4.25Å; L132-A139 HydrophobicContact CD2-CB 4.46Å; L132-A139 PolarHBondContact N-O 2.83Å; L132-A139 PolarHBondContact O-N 2.93Å
133	N	89.1	Confident	92.9	Very high	77 Å²	77	48.1 Å²	48.1	41%	0.412	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	93.2	178.9	-177.4	31.5	0	0	0	109.5	L138	N133-L138 HydrophobicContact CB-CD1 4.21Å
134	D	87.1	Confident	93.4	Very high	70 Å²	70	41.8 Å²	41.8	37%	0.374	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	167.4	176.6	-158.7	-13.6	0	0	0	110	R72 P85 L132 K136 L137	R72-D134 IonicContact NH1-OD2 2.66Å; P85-D134 WeakPolarHBondContact CG-O 3.42Å; L132-D134 HydrophobicContact CD2-CB 4.12Å; D134-K136 PolarHBondContact O-N 3.01Å; D134-L137 PolarHBondContact N-O 2.94Å; D134-L137 PolarHBondContact O-N 3.03Å
135	K	86.5	Confident	93.6	Very high	166 Å²	166	42.5 Å²	42.5	72%	0.722	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.9	-178.5	-69.4	-175.9	178.8	-180	0	114.2	F86	F86-K135 WeakPolarHBondContact CD1-O 3.35Å
136	K	89.3	Confident	93.5	Very high	122 Å²	122	39.1 Å²	39.1	53%	0.53	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-5.6	-173	-61.8	-175	157.3	-121.5	0	114.3	D134 E163	D134-K136 PolarHBondContact O-N 3.01Å; K136-E163 HydrophobicContact CB-CB 4.35Å; K136-E163 HydrophobicContact CB-CG 4.45Å; K136-E163 WeakPolarHBondContact CD-OE1 3.3Å; K136-E163 WeakPolarHBondContact CG-OE2 3.49Å; K136-E163 IonicContact NZ-OE1 2.93Å; K136-E163 PolarHBondContact NZ-OE1 2.79Å; K136-E163 IonicContact NZ-OE2 3.94Å; K136-E163 PolarHBondContact NZ-OE2 3.09Å; K136-E163 PolarHBondContact O-N 2.92Å
137	L	91.1	Very high	93.2	Very high	22 Å²	22	41.3 Å²	41.3	12%	0.115	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	128.7	-169	-179.2	73	0	0	0	109.8	V68 L132 D134 L160 I161	V68-L137 HydrophobicContact CB-CD2 4.44Å; V68-L137 HydrophobicContact CG1-CD2 3.98Å; V68-L137 HydrophobicContact CG2-CD2 3.64Å; L132-L137 HydrophobicContact CD2-CD2 4Å; L132-L137 HydrophobicContact CD2-CG 4.37Å; D134-L137 PolarHBondContact N-O 2.94Å; D134-L137 PolarHBondContact O-N 3.03Å; L137-L160 HydrophobicContact CD1-CB 4.18Å; L137-L160 HydrophobicContact CD1-CD2 4.1Å; L137-L160 HydrophobicContact CD2-CD2 4.39Å; L137-I161 WeakPolarHBondContact CA-O 3.36Å
138	L	92.3	Very high	92.7	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.6	161.2	174.6	66.1	0	0	0	108	L98 I100 I131 L132 N133 L160 I161	L98-L138 HydrophobicContact CD1-CD2 3.53Å; I100-L138 HydrophobicContact CD1-CD1 3.79Å; I100-L138 HydrophobicContact CD1-CD2 3.83Å; I100-L138 HydrophobicContact CD1-CG 4.28Å; I131-L138 HydrophobicContact CD1-CD1 3.89Å; I131-L138 HydrophobicContact CG1-CD1 3.98Å; L132-L138 CarbonylContact O-C 3.5Å; L132-L138 WeakPolarHBondContact O-CA 3.18Å; N133-L138 HydrophobicContact CB-CD1 4.21Å; L138-L160 CarbonylContact O-C 3.58Å; L138-L160 WeakPolarHBondContact O-CA 3.25Å; L138-I161 HydrophobicContact CB-CB 4.36Å; L138-I161 HydrophobicContact CD2-CD1 4.32Å; L138-I161 PolarHBondContact N-O 3.12Å; L138-I161 PolarHBondContact O-N 3.32Å
139	A	94.5	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.4	171.2	0	0	0	0	0	110.6	F73 I131 L132 T158 I159 L160	F73-A139 HydrophobicContact CE1-CB 3.86Å; F73-A139 HydrophobicContact CZ-CB 3.79Å; I131-A139 CarbonylContact C-O 3.52Å; I131-A139 WeakPolarHBondContact CA-O 3.45Å; L132-A139 HydrophobicContact CB-CB 4.25Å; L132-A139 HydrophobicContact CD2-CB 4.46Å; L132-A139 PolarHBondContact N-O 2.83Å; L132-A139 PolarHBondContact O-N 2.93Å; A139-T158 HydrophobicContact CB-CG2 4.15Å; A139-I159 CarbonylContact C-O 3.6Å; A139-I159 VanDerWaalsContact CA-O 3.24Å; A139-I159 WeakPolarHBondContact CA-O 3.47Å; A139-L160 HydrophobicContact CB-CD2 4.27Å; A139-L160 HydrophobicContact CB-CG 4.26Å
140	V	95.2	Very high	91.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	116.1	179.4	-178.8	0	0	0	0	107.3	I100 I106 C129 E130 T158 I159	I100-V140 HydrophobicContact CD1-CG2 3.83Å; I100-V140 HydrophobicContact CG1-CG2 4.41Å; I100-V140 HydrophobicContact CG2-CG1 3.93Å; I100-V140 HydrophobicContact CG2-CG2 3.83Å; I106-V140 HydrophobicContact CD1-CB 4.27Å; I106-V140 HydrophobicContact CD1-CG2 3.7Å; I106-V140 HydrophobicContact CG1-CG2 4.04Å; C129-V140 VanDerWaalsContact SG-CG1 3.58Å; E130-V140 CarbonylContact O-C 3.53Å; E130-V140 WeakPolarHBondContact O-CA 2.93Å; V140-T158 CarbonylContact O-C 3.54Å; V140-T158 WeakPolarHBondContact O-CA 3.21Å; V140-I159 PolarHBondContact N-O 3.2Å; V140-I159 PolarHBondContact O-N 3.39Å
141	R	95.9	Very high	91.4	Very high	12 Å²	12	54.9 Å²	54.9	5%	0.045	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.1	-178.4	-176.9	-176.2	-67.2	151.3	-2.8	110.2	F73 C129 E130 L143 K156 V157 T158	F73-R141 HydrophobicContact CD1-CB 4.14Å; F73-R141 HydrophobicContact CE1-CB 3.94Å; C129-R141 CarbonylContact C-O 3.59Å; C129-R141 VanDerWaalsContact CA-O 3.27Å; C129-R141 WeakPolarHBondContact CA-O 3.41Å; E130-R141 HydrophobicContact CB-CB 4.31Å; E130-R141 PolarHBondContact N-O 3.32Å; E130-R141 PolarHBondContact O-N 3.04Å; E130-R141 WeakPolarHBondContact OE2-CD 3.36Å; E130-R141 IonicContact OE2-CZ 3.02Å; E130-R141 IonicContact OE2-NE 3.31Å; E130-R141 IonicContact OE2-NH1 2.67Å; E130-R141 PolarHBondContact OE2-NH1 2.78Å; R141-L143 HydrophobicContact CG-CD2 4.48Å; R141-K156 HydrophobicContact CG-CG 4.06Å; R141-V157 CarbonylContact C-O 3.53Å; R141-V157 VanDerWaalsContact CA-O 3.31Å; R141-V157 WeakPolarHBondContact CA-O 3.17Å; R141-T158 HydrophobicContact CB-CG2 4.4Å; R141-T158 PolarHBondContact NE-OG1 2.73Å
142	Q	96.4	Very high	91.3	Very high	4 Å²	4	59 Å²	59	2%	0.019	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.5	173.6	-58.6	179	27.5	0	0	109.7	G104 N118 I119 K156 V157	G104-Q142 VanDerWaalsContact C-NE2 3.29Å; G104-Q142 PolarHBondContact O-NE2 2.88Å; N118-Q142 PolarHBondContact OD1-NE2 2.99Å; I119-Q142 PolarHBondContact O-OE1 2.97Å; Q142-K156 WeakPolarHBondContact O-CA 3.5Å; Q142-V157 HydrophobicContact CB-CG2 3.81Å; Q142-V157 HydrophobicContact CG-CG2 4.43Å; Q142-V157 PolarHBondContact N-O 2.8Å; Q142-V157 PolarHBondContact O-N 2.85Å; Q142-V157 VanDerWaalsContact O-N 3.17Å
143	L	96.5	Very high	91.4	Very high	43 Å²	43	62.2 Å²	62.2	23%	0.225	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.4	176.9	-61.3	171.7	0	0	0	108.7	L127 G128 E130 R141 K156	L127-L143 WeakPolarHBondContact CA-O 3.15Å; L127-L143 HydrophobicContact CB-CB 4.09Å; L127-L143 WeakPolarHBondContact CB-O 3.23Å; L127-L143 PolarHBondContact N-O 2.79Å; G128-L143 PolarHBondContact N-O 2.9Å; G128-L143 PolarHBondContact O-N 2.87Å; E130-L143 HydrophobicContact CG-CD1 4.1Å; R141-L143 HydrophobicContact CG-CD2 4.48Å; L143-K156 HydrophobicContact CD2-CB 4.19Å; L143-K156 HydrophobicContact CD2-CD 3.82Å; L143-K156 HydrophobicContact CD2-CG 3.69Å
144	H	97	Very high	91.8	Very high	14 Å²	14	61.6 Å²	61.6	7%	0.065	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	163.6	-178.9	-71.4	-115	0	0	0	110.2	L121 S124 V125 Y126 I155	L121-H144 HydrophobicContact CD1-CB 4.07Å; L121-H144 WeakPolarHBondContact CD1-CD2 3.39Å; S124-H144 PolarHBondContact OG-ND1 3.44Å; V125-H144 CarbonylContact O-C 3.46Å; V125-H144 WeakPolarHBondContact O-CA 3.46Å; Y126-H144 AromaticContact CD2-CE1 3.7Å; Y126-H144 AromaticContact CD2-NE2 3.59Å; H144-I155 HydrophobicContact CB-CB 4.05Å; H144-I155 HydrophobicContact CB-CG2 4.41Å; H144-I155 PolarHBondContact N-O 2.94Å; H144-I155 PolarHBondContact O-N 3.45Å
145	N	95.3	Very high	92.2	Very high	39 Å²	39	58.3 Å²	58.3	21%	0.209	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.8	161	-74.4	-33.9	0	0	0	110.1	S124 V125 L152 F153 P154	S124-N145 CarbonylContact C-O 3.55Å; S124-N145 WeakPolarHBondContact CA-O 3.42Å; V125-N145 HydrophobicContact CB-CB 4.5Å; V125-N145 PolarHBondContact N-O 3.39Å; V125-N145 PolarHBondContact O-N 2.96Å; N145-L152 HydrophobicContact CB-CB 4.29Å; N145-L152 HydrophobicContact CB-CD2 3.54Å; N145-L152 HydrophobicContact CB-CG 4.45Å; N145-F153 CarbonylContact C-O 3.51Å; N145-F153 VanDerWaalsContact CA-O 3.31Å; N145-F153 WeakPolarHBondContact CA-O 3.47Å; N145-P154 WeakPolarHBondContact OD1-CA 3.37Å
146	Q	92.3	Very high	92.7	Very high	8 Å²	8	53 Å²	53	4%	0.037	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.2	170.3	-172.3	68.6	20.2	0	0	109.9	R123 S124 I148 L152 F153 I155 P175 L178	R123-Q146 PolarHBondContact O-NE2 2.84Å; R123-Q146 PolarHBondContact O-OE1 2.79Å; S124-Q146 VanDerWaalsContact CB-OE1 3.3Å; Q146-I148 HydrophobicContact CG-CD1 4.34Å; Q146-I148 HydrophobicContact CG-CG1 3.91Å; Q146-L152 WeakPolarHBondContact O-CA 3.22Å; Q146-F153 PolarHBondContact N-O 2.7Å; Q146-F153 PolarHBondContact O-N 3.21Å; Q146-I155 HydrophobicContact CB-CD1 3.67Å; Q146-I155 HydrophobicContact CB-CG1 4.22Å; Q146-I155 HydrophobicContact CG-CD1 4.43Å; Q146-P175 HydrophobicContact CB-CG 4.36Å; Q146-L178 HydrophobicContact CG-CD2 4Å
147	Q	88.6	Confident	93.1	Very high	120 Å²	120	47.3 Å²	47.3	56%	0.561	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.6	168.7	-174.8	171.7	-11.1	0	0	109.8	G149 K151	Q147-G149 VanDerWaalsContact CG-O 3.26Å; Q147-G149 WeakPolarHBondContact CG-O 3.36Å; Q147-G149 PolarHBondContact NE2-O 2.75Å; Q147-K151 WeakPolarHBondContact CA-O 3.41Å
148	I	85.1	Confident	93.3	Very high	68 Å²	68	46.2 Å²	46.2	35%	0.349	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	104.7	173.6	-55.3	176.1	0	0	0	107.1	Q146 D150 K151 F153 P175	Q146-I148 HydrophobicContact CG-CD1 4.34Å; Q146-I148 HydrophobicContact CG-CG1 3.91Å; I148-D150 PolarHBondContact O-N 2.03Å; I148-K151 PolarHBondContact N-O 2.96Å; I148-K151 PolarHBondContact O-N 3.35Å; I148-F153 HydrophobicContact CB-CD2 3.93Å; I148-F153 HydrophobicContact CB-CE2 3.88Å; I148-F153 HydrophobicContact CD1-CD2 3.96Å; I148-F153 HydrophobicContact CD1-CE2 4.41Å; I148-F153 HydrophobicContact CG1-CD2 4.07Å; I148-F153 HydrophobicContact CG1-CE2 4.48Å; I148-P175 HydrophobicContact CD1-CB 3.82Å; I148-P175 HydrophobicContact CD1-CG 4.05Å
149	G	85.6	Confident	93.5	Very high	58 Å²	58	46.1 Å²	46.1	60%	0.598	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	-126.7	-167	0	0	0	0	0	111	Q147	Q147-G149 VanDerWaalsContact CG-O 3.26Å; Q147-G149 WeakPolarHBondContact CG-O 3.36Å; Q147-G149 PolarHBondContact NE2-O 2.75Å
150	D	85.5	Confident	93.6	Very high	164 Å²	164	46.1 Å²	46.1	88%	0.877	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	6.2	-178.8	-57.1	-34.1	0	0	0	113.5	I148	I148-D150 PolarHBondContact O-N 2.03Å
151	K	90.4	Very high	93.5	Very high	141 Å²	141	46.1 Å²	46.1	61%	0.613	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.1	-176.9	-65.8	-177.2	-178.1	-179.8	0	111.1	Q147 I148 F153	Q147-K151 WeakPolarHBondContact CA-O 3.41Å; I148-K151 PolarHBondContact N-O 2.96Å; I148-K151 PolarHBondContact O-N 3.35Å; K151-F153 HydrophobicContact CB-CD2 4.31Å; K151-F153 HydrophobicContact CB-CE2 3.59Å; K151-F153 HydrophobicContact CB-CZ 3.95Å; K151-F153 HydrophobicContact CD-CZ 4.11Å
152	L	91.7	Very high	93.4	Very high	100 Å²	100	47.5 Å²	47.5	52%	0.524	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.5	165.7	-75.6	99.5	0	0	0	109.8	N145 Q146	N145-L152 HydrophobicContact CB-CB 4.29Å; N145-L152 HydrophobicContact CB-CD2 3.54Å; N145-L152 HydrophobicContact CB-CG 4.45Å; Q146-L152 WeakPolarHBondContact O-CA 3.22Å
153	F	94.9	Very high	93	Very high	75 Å²	75	49.9 Å²	49.9	33%	0.329	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.3	175.2	-66.6	-87.1	0	0	0	109.9	N145 Q146 I148 K151 P175	N145-F153 CarbonylContact C-O 3.51Å; N145-F153 VanDerWaalsContact CA-O 3.31Å; N145-F153 WeakPolarHBondContact CA-O 3.47Å; Q146-F153 PolarHBondContact N-O 2.7Å; Q146-F153 PolarHBondContact O-N 3.21Å; I148-F153 HydrophobicContact CB-CD2 3.93Å; I148-F153 HydrophobicContact CB-CE2 3.88Å; I148-F153 HydrophobicContact CD1-CD2 3.96Å; I148-F153 HydrophobicContact CD1-CE2 4.41Å; I148-F153 HydrophobicContact CG1-CD2 4.07Å; I148-F153 HydrophobicContact CG1-CE2 4.48Å; K151-F153 HydrophobicContact CB-CD2 4.31Å; K151-F153 HydrophobicContact CB-CE2 3.59Å; K151-F153 HydrophobicContact CB-CZ 3.95Å; K151-F153 HydrophobicContact CD-CZ 4.11Å; F153-P175 HydrophobicContact CB-CB 3.79Å; F153-P175 HydrophobicContact CB-CG 4.1Å; F153-P175 HydrophobicContact CG-CB 4.11Å
154	P	95.8	Very high	92.4	Very high	64 Å²	64	55.6 Å²	55.6	42%	0.416	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	140.3	176.8	29.2	-34.1	0	0	0	110.5	N145	N145-P154 WeakPolarHBondContact OD1-CA 3.37Å
155	I	96.8	Very high	92	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125	165.4	-70.8	-178.6	0	0	0	107.3	L121 H144 Q146 V157 E173 I174 P175 L178	L121-I155 HydrophobicContact CD1-CG2 3.72Å; L121-I155 HydrophobicContact CD2-CD1 3.95Å; L121-I155 HydrophobicContact CD2-CG2 3.8Å; L121-I155 HydrophobicContact CG-CG2 4.44Å; H144-I155 HydrophobicContact CB-CB 4.05Å; H144-I155 HydrophobicContact CB-CG2 4.41Å; H144-I155 PolarHBondContact N-O 2.94Å; H144-I155 PolarHBondContact O-N 3.45Å; Q146-I155 HydrophobicContact CB-CD1 3.67Å; Q146-I155 HydrophobicContact CB-CG1 4.22Å; Q146-I155 HydrophobicContact CG-CD1 4.43Å; I155-V157 HydrophobicContact CG2-CG1 4.1Å; I155-E173 WeakPolarHBondContact CA-O 3.46Å; I155-I174 HydrophobicContact CG2-CD1 4.02Å; I155-P175 HydrophobicContact CD1-CG 4.28Å; I155-P175 VanDerWaalsContact CG1-CD 3.49Å; I155-P175 HydrophobicContact CG1-CG 4.06Å; I155-L178 HydrophobicContact CD1-CD1 3.96Å
156	K	96.2	Very high	91.9	Very high	55 Å²	55	54.7 Å²	54.7	24%	0.239	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.8	174.2	-174.6	172.6	75.7	-160.7	0	108.5	R141 Q142 L143 D172 E173	R141-K156 HydrophobicContact CG-CG 4.06Å; Q142-K156 WeakPolarHBondContact O-CA 3.5Å; L143-K156 HydrophobicContact CD2-CB 4.19Å; L143-K156 HydrophobicContact CD2-CD 3.82Å; L143-K156 HydrophobicContact CD2-CG 3.69Å; K156-D172 HydrophobicContact CB-CB 3.92Å; K156-D172 HydrophobicContact CD-CB 4.1Å; K156-D172 HydrophobicContact CG-CB 3.75Å; K156-D172 WeakPolarHBondContact O-CA 3.31Å; K156-D172 WeakPolarHBondContact O-CB 3.24Å; K156-D172 PolarHBondContact O-N 3.24Å; K156-E173 HydrophobicContact CB-CB 4.1Å; K156-E173 WeakPolarHBondContact CE-OE1 3.11Å; K156-E173 PolarHBondContact N-O 3.42Å; K156-E173 IonicContact NZ-OE1 3.07Å; K156-E173 PolarHBondContact NZ-OE1 3.25Å; K156-E173 PolarHBondContact O-N 2.82Å
157	V	96.9	Very high	92.1	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.9	-179.7	-63.2	0	0	0	0	110	I119 L121 R141 Q142 I155 Y170 Y171 I174	I119-V157 HydrophobicContact CB-CG2 4.19Å; I119-V157 HydrophobicContact CD1-CB 3.74Å; I119-V157 HydrophobicContact CD1-CG1 4.48Å; I119-V157 HydrophobicContact CD1-CG2 3.84Å; I119-V157 HydrophobicContact CG2-CB 4.47Å; I119-V157 HydrophobicContact CG2-CG1 4.45Å; I119-V157 HydrophobicContact CG2-CG2 3.98Å; L121-V157 HydrophobicContact CD1-CG2 4.17Å; R141-V157 CarbonylContact C-O 3.53Å; R141-V157 VanDerWaalsContact CA-O 3.31Å; R141-V157 WeakPolarHBondContact CA-O 3.17Å; Q142-V157 HydrophobicContact CB-CG2 3.81Å; Q142-V157 HydrophobicContact CG-CG2 4.43Å; Q142-V157 PolarHBondContact N-O 2.8Å; Q142-V157 PolarHBondContact O-N 2.85Å; Q142-V157 VanDerWaalsContact O-N 3.17Å; I155-V157 HydrophobicContact CG2-CG1 4.1Å; V157-Y170 WeakPolarHBondContact CA-O 3.03Å; V157-Y171 HydrophobicContact CG1-CD1 3.87Å; V157-I174 HydrophobicContact CG1-CD1 3.72Å
158	T	96.8	Very high	92.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	125	-176.3	-53.4	0	0	0	0	110.4	L66 F73 A139 V140 R141 L160 Y170 D172	L66-T158 HydrophobicContact CD1-CG2 4.46Å; F73-T158 HydrophobicContact CZ-CG2 4.38Å; A139-T158 HydrophobicContact CB-CG2 4.15Å; V140-T158 CarbonylContact O-C 3.54Å; V140-T158 WeakPolarHBondContact O-CA 3.21Å; R141-T158 HydrophobicContact CB-CG2 4.4Å; R141-T158 PolarHBondContact NE-OG1 2.73Å; T158-L160 HydrophobicContact CG2-CD1 4.13Å; T158-L160 HydrophobicContact CG2-CG 4.14Å; T158-Y170 PolarHBondContact N-O 3.43Å; T158-Y170 PolarHBondContact O-N 3.29Å; T158-D172 PolarHBondContact N-OD2 3.16Å; T158-D172 PolarHBondContact OG1-OD2 2.89Å
159	I	96.9	Very high	93.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.2	169.1	-58.9	171.2	0	0	0	107.9	I106 I117 I119 A139 V140 S168 F169	I106-I159 HydrophobicContact CD1-CB 4.37Å; I106-I159 HydrophobicContact CD1-CG2 3.72Å; I117-I159 HydrophobicContact CG2-CD1 4.32Å; I117-I159 HydrophobicContact CG2-CG2 3.67Å; I119-I159 HydrophobicContact CD1-CD1 4.48Å; I119-I159 HydrophobicContact CD1-CG1 3.84Å; I119-I159 HydrophobicContact CG1-CD1 4.17Å; I119-I159 HydrophobicContact CG1-CG1 4.04Å; A139-I159 CarbonylContact C-O 3.6Å; A139-I159 VanDerWaalsContact CA-O 3.24Å; A139-I159 WeakPolarHBondContact CA-O 3.47Å; V140-I159 PolarHBondContact N-O 3.2Å; V140-I159 PolarHBondContact O-N 3.39Å; I159-S168 CarbonylContact C-O 3.24Å; I159-S168 WeakPolarHBondContact CA-O 3.48Å; I159-F169 HydrophobicContact CB-CD1 4.38Å; I159-F169 HydrophobicContact CD1-CE1 4.44Å; I159-F169 HydrophobicContact CG1-CD1 3.91Å; I159-F169 HydrophobicContact CG1-CE1 4Å; I159-F169 HydrophobicContact CG2-CD1 4.2Å; I159-F169 HydrophobicContact CG2-CE1 4.02Å
160	L	95.4	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.3	178.8	-54.5	101	0	0	0	111	P67 V68 L137 L138 A139 T158 I167 S168	P67-L160 HydrophobicContact CG-CD1 4.48Å; P67-L160 HydrophobicContact CG-CD2 3.94Å; V68-L160 HydrophobicContact CG2-CD2 3.21Å; L137-L160 HydrophobicContact CD1-CB 4.18Å; L137-L160 HydrophobicContact CD1-CD2 4.1Å; L137-L160 HydrophobicContact CD2-CD2 4.39Å; L138-L160 CarbonylContact O-C 3.58Å; L138-L160 WeakPolarHBondContact O-CA 3.25Å; A139-L160 HydrophobicContact CB-CD2 4.27Å; A139-L160 HydrophobicContact CB-CG 4.26Å; T158-L160 HydrophobicContact CG2-CD1 4.13Å; T158-L160 HydrophobicContact CG2-CG 4.14Å; L160-I167 CarbonylContact O-C 3.47Å; L160-I167 VanDerWaalsContact O-CA 3.3Å; L160-I167 WeakPolarHBondContact O-CA 3.11Å; L160-S168 PolarHBondContact N-O 2.86Å; L160-S168 PolarHBondContact O-N 3.34Å
161	I	94.6	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.5	170.6	-54.1	-178	0	0	0	107.9	F86 F88 L98 I106 I117 L137 L138 I167	F86-I161 HydrophobicContact CE2-CG2 4.1Å; F86-I161 HydrophobicContact CZ-CG2 4.23Å; F86-I161 WeakPolarHBondContact CZ-O 3.38Å; F88-I161 HydrophobicContact CD1-CG2 4.28Å; F88-I161 HydrophobicContact CE1-CG2 3.76Å; F88-I161 HydrophobicContact CE2-CG2 4.17Å; F88-I161 HydrophobicContact CZ-CD1 4.39Å; F88-I161 HydrophobicContact CZ-CG2 3.72Å; L98-I161 HydrophobicContact CD1-CD1 4.42Å; I106-I161 HydrophobicContact CD1-CD1 3.96Å; I106-I161 HydrophobicContact CD1-CG1 4.46Å; I106-I161 HydrophobicContact CG2-CD1 4.34Å; I117-I161 HydrophobicContact CD1-CD1 3.99Å; L137-I161 WeakPolarHBondContact CA-O 3.36Å; L138-I161 HydrophobicContact CB-CB 4.36Å; L138-I161 HydrophobicContact CD2-CD1 4.32Å; L138-I161 PolarHBondContact N-O 3.12Å; L138-I161 PolarHBondContact O-N 3.32Å; I161-I167 HydrophobicContact CG1-CG1 4.47Å
162	H	92.4	Very high	94.5	Very high	40 Å²	40	29.4 Å²	29.4	19%	0.185	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	161.5	-179	-64.2	-93.3	0	0	0	112.2	F86 H164 G165 K166	F86-H162 WeakPolarHBondContact CE2-O 3.47Å; H162-H164 PolarHBondContact O-N 3.42Å; H162-G165 PolarHBondContact O-N 3Å; H162-K166 HydrophobicContact CB-CB 4.21Å; H162-K166 PolarHBondContact CD2-O 2.69Å; H162-K166 PolarHBondContact N-O 3.25Å
163	E	88.1	Confident	94.7	Very high	55 Å²	55	28.3 Å²	28.3	26%	0.257	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.5	-176.7	68.6	-174.8	145.2	0	0	116	F86 K136	F86-E163 HydrophobicContact CB-CB 4.01Å; F86-E163 HydrophobicContact CD1-CB 4.25Å; F86-E163 VanDerWaalsContact CD2-CA 3.46Å; F86-E163 HydrophobicContact CD2-CB 4.31Å; F86-E163 HydrophobicContact CG-CB 3.96Å; K136-E163 HydrophobicContact CB-CB 4.35Å; K136-E163 HydrophobicContact CB-CG 4.45Å; K136-E163 WeakPolarHBondContact CD-OE1 3.3Å; K136-E163 WeakPolarHBondContact CG-OE2 3.49Å; K136-E163 IonicContact NZ-OE1 2.93Å; K136-E163 PolarHBondContact NZ-OE1 2.79Å; K136-E163 IonicContact NZ-OE2 3.94Å; K136-E163 PolarHBondContact NZ-OE2 3.09Å; K136-E163 PolarHBondContact O-N 2.92Å
164	H	84.3	Confident	94.7	Very high	163 Å²	163	25.5 Å²	25.5	76%	0.755	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	14.7	179.5	-59.6	-55.2	0	0	0	114	H162 K166	H162-H164 PolarHBondContact O-N 3.42Å; H164-K166 VanDerWaalsContact C-N 3.31Å; H164-K166 PolarHBondContact O-N 3.26Å
165	G	89.4	Confident	94.7	Very high	7 Å²	7	23.2 Å²	23.2	7%	0.072	11%	0.111	C	C	.	.	S	Bend	trans	80.2	7.7	177.6	0	0	0	0	0	115.1	H162 I167	H162-G165 PolarHBondContact O-N 3Å; G165-I167 PolarHBondContact O-N 3.29Å
166	K	92.9	Very high	94.4	Very high	26 Å²	26	32.9 Å²	32.9	11%	0.113	15%	0.153	C	C	.	.			trans	-66.2	127	167	-177.7	172.9	70.1	168.8	0	109.2	H162 H164 E215 Y216 E217	H162-K166 HydrophobicContact CB-CB 4.21Å; H162-K166 PolarHBondContact CD2-O 2.69Å; H162-K166 PolarHBondContact N-O 3.25Å; H164-K166 VanDerWaalsContact C-N 3.31Å; H164-K166 PolarHBondContact O-N 3.26Å; K166-E215 HydrophobicContact CD-CB 4.32Å; K166-E215 WeakPolarHBondContact CE-OE1 3Å; K166-E215 IonicContact NZ-OE1 2.66Å; K166-E215 PolarHBondContact NZ-OE1 2.59Å; K166-Y216 WeakPolarHBondContact CA-O 3.48Å; K166-Y216 WeakPolarHBondContact CG-O 3.25Å; K166-E217 HydrophobicContact CB-CG 4.18Å; K166-E217 HydrophobicContact CD-CG 3.7Å; K166-E217 HydrophobicContact CG-CG 3.7Å
167	I	95.9	Very high	94	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.3	176.8	-61.8	156.8	0	0	0	107.5	Y56 F90 I117 L160 I161 G165 F169 I187 E215 Y216	Y56-I167 HydrophobicContact CE1-CD1 4.5Å; F90-I167 HydrophobicContact CD2-CD1 3.95Å; F90-I167 HydrophobicContact CE2-CD1 3.87Å; I117-I167 HydrophobicContact CD1-CD1 3.64Å; I117-I167 HydrophobicContact CD1-CG1 4Å; I117-I167 HydrophobicContact CD1-CG2 3.96Å; I117-I167 HydrophobicContact CG2-CG2 4.16Å; L160-I167 CarbonylContact O-C 3.47Å; L160-I167 VanDerWaalsContact O-CA 3.3Å; L160-I167 WeakPolarHBondContact O-CA 3.11Å; I161-I167 HydrophobicContact CG1-CG1 4.47Å; G165-I167 PolarHBondContact O-N 3.29Å; I167-F169 HydrophobicContact CG2-CE1 4.38Å; I167-I187 HydrophobicContact CB-CD1 4.17Å; I167-I187 HydrophobicContact CD1-CD1 4.1Å; I167-I187 HydrophobicContact CG2-CD1 3.8Å; I167-E215 CarbonylContact O-C 3.55Å; I167-Y216 HydrophobicContact CG2-CD2 4.41Å; I167-Y216 PolarHBondContact N-O 3.32Å; I167-Y216 PolarHBondContact O-N 2.99Å
168	S	96.9	Very high	93.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144	177.9	-47.8	0	0	0	0	112.3	I159 L160 V214	I159-S168 CarbonylContact C-O 3.24Å; I159-S168 WeakPolarHBondContact CA-O 3.48Å; L160-S168 PolarHBondContact N-O 2.86Å; L160-S168 PolarHBondContact O-N 3.34Å; S168-V214 CarbonylContact C-O 3.53Å; S168-V214 WeakPolarHBondContact CA-O 3.24Å; S168-V214 WeakPolarHBondContact CB-O 3.28Å
169	F	97.9	Very high	93.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.3	163.9	-57.1	-29.9	0	0	0	108.5	I117 I119 I159 I167 Y171 I187 V203 V214 Y216	I117-F169 HydrophobicContact CG2-CE1 3.4Å; I117-F169 VanDerWaalsContact CG2-CE1 3.4Å; I117-F169 HydrophobicContact CG2-CZ 3.76Å; I119-F169 HydrophobicContact CD1-CB 4.29Å; I119-F169 HydrophobicContact CD1-CD1 4.28Å; I119-F169 HydrophobicContact CD1-CG 4.29Å; I119-F169 HydrophobicContact CG1-CD1 4.4Å; I119-F169 HydrophobicContact CG1-CG 4.49Å; I159-F169 HydrophobicContact CB-CD1 4.38Å; I159-F169 HydrophobicContact CD1-CE1 4.44Å; I159-F169 HydrophobicContact CG1-CD1 3.91Å; I159-F169 HydrophobicContact CG1-CE1 4Å; I159-F169 HydrophobicContact CG2-CD1 4.2Å; I159-F169 HydrophobicContact CG2-CE1 4.02Å; I167-F169 HydrophobicContact CG2-CE1 4.38Å; F169-Y171 HydrophobicContact CB-CE2 4.47Å; F169-I187 HydrophobicContact CE2-CG1 4.32Å; F169-I187 HydrophobicContact CZ-CD1 4.45Å; F169-I187 HydrophobicContact CZ-CG1 3.78Å; F169-V203 HydrophobicContact CD2-CG2 3.7Å; F169-V203 HydrophobicContact CE2-CG2 4.17Å; F169-V214 HydrophobicContact CB-CB 4.29Å; F169-V214 PolarHBondContact N-O 2.81Å; F169-V214 PolarHBondContact O-N 3.39Å; F169-Y216 AromaticContact CD2-CE2 3.84Å; F169-Y216 HydrophobicContact CD2-CE2 3.84Å; F169-Y216 AromaticContact CE2-CE2 3.76Å; F169-Y216 HydrophobicContact CE2-CE2 3.76Å; F169-Y216 HydrophobicContact CG-CE2 4.45Å; F169-Y216 HydrophobicContact CZ-CE2 4.3Å
170	Y	97.8	Very high	93.3	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.8	172.3	-173.6	-105	0	0	0	109.3	Q64 L66 V157 T158 D172 T212 L213	Q64-Y170 HydrophobicContact CB-CE2 4.41Å; Q64-Y170 WeakPolarHBondContact O-CE2 3.29Å; Q64-Y170 PolarHBondContact O-OH 2.86Å; L66-Y170 HydrophobicContact CB-CD1 4.07Å; L66-Y170 HydrophobicContact CB-CE1 3.57Å; L66-Y170 HydrophobicContact CD1-CD1 3.22Å; L66-Y170 HydrophobicContact CD1-CE1 3.68Å; L66-Y170 HydrophobicContact CD1-CG 3.79Å; L66-Y170 HydrophobicContact CG-CD1 4.21Å; L66-Y170 HydrophobicContact CG-CE1 4.18Å; L66-Y170 PolarHBondContact N-OH 3.49Å; L66-Y170 VanDerWaalsContact N-OH 3.17Å; V157-Y170 WeakPolarHBondContact CA-O 3.03Å; T158-Y170 PolarHBondContact N-O 3.43Å; T158-Y170 PolarHBondContact O-N 3.29Å; Y170-D172 HydrophobicContact CD1-CB 4.13Å; Y170-D172 WeakPolarHBondContact CD1-OD1 3.27Å; Y170-D172 WeakPolarHBondContact CD1-OD2 3.45Å; Y170-D172 HydrophobicContact CE1-CB 3.96Å; Y170-D172 WeakPolarHBondContact CE1-OD1 3.44Å; Y170-D172 PolarHBondContact O-N 3.43Å; Y170-T212 WeakPolarHBondContact CA-O 3.25Å; Y170-L213 HydrophobicContact CD2-CB 4.13Å; Y170-L213 HydrophobicContact CD2-CD1 4.05Å
171	Y	97.4	Very high	93.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	88.3	178	-61.6	-74	0	0	0	108	V157 F169 I174 I183 S185 V203 V208 E209 S210 R211 T212 V214	V157-Y171 HydrophobicContact CG1-CD1 3.87Å; F169-Y171 HydrophobicContact CB-CE2 4.47Å; Y171-I174 HydrophobicContact CD1-CD1 4.1Å; Y171-I174 HydrophobicContact CD1-CG1 4.17Å; Y171-I174 HydrophobicContact CG-CG1 4.34Å; Y171-I183 HydrophobicContact CE1-CD1 4.28Å; Y171-S185 WeakPolarHBondContact CE1-OG 3.21Å; Y171-S185 WeakPolarHBondContact OH-CB 3.28Å; Y171-S185 PolarHBondContact OH-OG 3.3Å; Y171-V203 HydrophobicContact CE2-CG1 4.34Å; Y171-V203 WeakPolarHBondContact OH-CB 3.5Å; Y171-V203 WeakPolarHBondContact OH-CG1 3.36Å; Y171-V203 WeakPolarHBondContact OH-CG2 3.33Å; Y171-V208 HydrophobicContact CD1-CG1 3.66Å; Y171-V208 HydrophobicContact CE1-CB 4.35Å; Y171-V208 HydrophobicContact CE1-CG1 3.51Å; Y171-V208 HydrophobicContact CE1-CG2 4.12Å; Y171-V208 HydrophobicContact CE2-CG2 4.22Å; Y171-V208 HydrophobicContact CG-CG1 4.25Å; Y171-E209 VanDerWaalsContact CB-O 3.31Å; Y171-E209 WeakPolarHBondContact CB-O 3.41Å; Y171-S210 CarbonylContact O-C 3.5Å; Y171-S210 WeakPolarHBondContact O-CA 3.36Å; Y171-R211 PolarHBondContact O-N 2.87Å; Y171-T212 HydrophobicContact CD2-CG2 4.18Å; Y171-T212 WeakPolarHBondContact CD2-O 3.27Å; Y171-T212 PolarHBondContact N-O 3.43Å; Y171-V214 HydrophobicContact CE2-CG2 3.86Å
172	D	95.6	Very high	93	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	-54.4	-175	-56.1	-111.9	0	0	0	111.6	K156 T158 Y170	K156-D172 HydrophobicContact CB-CB 3.92Å; K156-D172 HydrophobicContact CD-CB 4.1Å; K156-D172 HydrophobicContact CG-CB 3.75Å; K156-D172 WeakPolarHBondContact O-CA 3.31Å; K156-D172 WeakPolarHBondContact O-CB 3.24Å; K156-D172 PolarHBondContact O-N 3.24Å; T158-D172 PolarHBondContact N-OD2 3.16Å; T158-D172 PolarHBondContact OG1-OD2 2.89Å; Y170-D172 HydrophobicContact CD1-CB 4.13Å; Y170-D172 WeakPolarHBondContact CD1-OD1 3.27Å; Y170-D172 WeakPolarHBondContact CD1-OD2 3.45Å; Y170-D172 HydrophobicContact CE1-CB 3.96Å; Y170-D172 WeakPolarHBondContact CE1-OD1 3.44Å; Y170-D172 PolarHBondContact O-N 3.43Å
173	E	95.7	Very high	93.1	Very high	77 Å²	77	48.9 Å²	48.9	36%	0.36	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	117	-178.2	-68	175.4	-129.2	0	0	109.2	I155 K156	I155-E173 WeakPolarHBondContact CA-O 3.46Å; K156-E173 HydrophobicContact CB-CB 4.1Å; K156-E173 WeakPolarHBondContact CE-OE1 3.11Å; K156-E173 PolarHBondContact N-O 3.42Å; K156-E173 IonicContact NZ-OE1 3.07Å; K156-E173 PolarHBondContact NZ-OE1 3.25Å; K156-E173 PolarHBondContact O-N 2.82Å
174	I	95.9	Very high	93.5	Very high	16 Å²	16	49 Å²	49	8%	0.082	25%	0.253	C	S	.	.			trans	-132.3	125	179.8	-62.1	-64	0	0	0	109.1	I155 V157 Y171 L178 I183 V208 S210	I155-I174 HydrophobicContact CG2-CD1 4.02Å; V157-I174 HydrophobicContact CG1-CD1 3.72Å; Y171-I174 HydrophobicContact CD1-CD1 4.1Å; Y171-I174 HydrophobicContact CD1-CG1 4.17Å; Y171-I174 HydrophobicContact CG-CG1 4.34Å; I174-L178 HydrophobicContact CG2-CD1 3.67Å; I174-L178 HydrophobicContact CG2-CG 4.35Å; I174-I183 HydrophobicContact CD1-CD1 3.96Å; I174-V208 HydrophobicContact CD1-CG1 4.49Å; I174-V208 HydrophobicContact CG1-CG1 4.48Å; I174-V208 HydrophobicContact CG2-CG1 4.47Å; I174-S210 PolarHBondContact N-OG 3.19Å; I174-S210 PolarHBondContact O-OG 3.3Å; I174-S210 VanDerWaalsContact O-OG 3.11Å
175	P	94.4	Very high	94.1	Very high	16 Å²	16	41.3 Å²	41.3	10%	0.104	22%	0.217	C	C	.	.			trans	-67.5	150.7	172.4	28.4	-32.9	0	0	0	110.9	Q146 I148 F153 I155 L178	Q146-P175 HydrophobicContact CB-CG 4.36Å; I148-P175 HydrophobicContact CD1-CB 3.82Å; I148-P175 HydrophobicContact CD1-CG 4.05Å; F153-P175 HydrophobicContact CB-CB 3.79Å; F153-P175 HydrophobicContact CB-CG 4.1Å; F153-P175 HydrophobicContact CG-CB 4.11Å; I155-P175 HydrophobicContact CD1-CG 4.28Å; I155-P175 VanDerWaalsContact CG1-CD 3.49Å; I155-P175 HydrophobicContact CG1-CG 4.06Å; P175-L178 HydrophobicContact CG-CD1 4.26Å; P175-L178 HydrophobicContact CG-CD2 4.03Å; P175-L178 HydrophobicContact CG-CG 4.15Å
176	K	91.7	Very high	94.4	Very high	205 Å²	205	41.8 Å²	41.8	89%	0.891	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	148.2	175.5	-65.1	-173.3	177.6	-175.3	0	110.7
177	G	86.8	Confident	94.6	Very high	70 Å²	70	40.6 Å²	40.6	72%	0.722	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	10.8	171.5	0	0	0	0	0	115.6
178	L	90.8	Very high	94.6	Very high	24 Å²	24	42.1 Å²	42.1	13%	0.126	22%	0.221	C	C	.	.			trans	-64.4	144.6	169.7	-62.2	-171.8	0	0	0	111.3	Q146 I155 I174 P175 D182 I183	Q146-L178 HydrophobicContact CG-CD2 4Å; I155-L178 HydrophobicContact CD1-CD1 3.96Å; I174-L178 HydrophobicContact CG2-CD1 3.67Å; I174-L178 HydrophobicContact CG2-CG 4.35Å; P175-L178 HydrophobicContact CG-CD1 4.26Å; P175-L178 HydrophobicContact CG-CD2 4.03Å; P175-L178 HydrophobicContact CG-CG 4.15Å; L178-D182 HydrophobicContact CB-CB 4.24Å; L178-D182 HydrophobicContact CD2-CB 4Å; L178-I183 HydrophobicContact CB-CG2 4.1Å; L178-I183 HydrophobicContact CD1-CB 4.37Å; L178-I183 HydrophobicContact CD1-CG2 4.02Å
179	T	93.2	Very high	94.5	Very high	60 Å²	60	42.2 Å²	42.2	37%	0.368	22%	0.221	S	C	.	.			trans	-110.3	171.4	177.9	67.1	0	0	0	0	111.4	R123 E181 D182 I183	R123-T179 PolarHBondContact NH2-OG1 2.9Å; T179-E181 PolarHBondContact O-N 2.75Å; T179-E181 VanDerWaalsContact O-N 3.13Å; T179-E181 PolarHBondContact OG1-N 2.94Å; T179-D182 PolarHBondContact N-OD2 2.76Å; T179-D182 PolarHBondContact O-N 2.96Å; T179-D182 PolarHBondContact OG1-OD2 2.82Å; T179-I183 PolarHBondContact O-N 2.9Å
180	E	92.1	Very high	94.3	Very high	139 Å²	139	45.8 Å²	45.8	65%	0.65	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.1	173.6	-63	-168.1	165.4	0	0	112.7	V205	E180-V205 HydrophobicContact CG-CB 3.84Å; E180-V205 HydrophobicContact CG-CG1 3.47Å; E180-V205 VanDerWaalsContact CG-CG1 3.47Å
181	E	90.7	Very high	93.8	Very high	122 Å²	122	45.3 Å²	45.3	57%	0.57	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.4	174.5	-63.8	-175.7	175.4	0	0	113.4	K122 R123 T179	K122-E181 WeakPolarHBondContact CB-O 3.04Å; K122-E181 WeakPolarHBondContact CD-O 3.41Å; R123-E181 IonicContact CZ-OE2 2.72Å; R123-E181 IonicContact NH1-OE2 3.99Å; R123-E181 PolarHBondContact NH1-OE2 2.86Å; R123-E181 IonicContact NH2-OE2 2.81Å; T179-E181 PolarHBondContact O-N 2.75Å; T179-E181 VanDerWaalsContact O-N 3.13Å; T179-E181 PolarHBondContact OG1-N 2.94Å
182	D	93.1	Very high	93.2	Very high	12 Å²	12	51 Å²	51	6%	0.064	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-41.5	-179.5	-61.7	-63.1	0	0	0	111.7	L121 K122 R123 L178 T179	L121-D182 CarbonylContact C-O 3.45Å; L121-D182 WeakPolarHBondContact CA-O 3.2Å; K122-D182 PolarHBondContact N-O 3.09Å; R123-D182 IonicContact CZ-OD1 3.65Å; R123-D182 IonicContact NE-OD1 3.84Å; R123-D182 PolarHBondContact NE-OD1 2.92Å; R123-D182 IonicContact NH2-OD1 3.15Å; R123-D182 PolarHBondContact NH2-OD1 2.9Å; R123-D182 IonicContact NH2-OD2 3.73Å; R123-D182 PolarHBondContact NH2-OD2 2.88Å; R123-D182 VanDerWaalsContact NH2-OD2 3.11Å; L178-D182 HydrophobicContact CB-CB 4.24Å; L178-D182 HydrophobicContact CD2-CB 4Å; T179-D182 PolarHBondContact N-OD2 2.76Å; T179-D182 PolarHBondContact O-N 2.96Å; T179-D182 PolarHBondContact OG1-OD2 2.82Å
183	I	95.1	Very high	92.5	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	128	-173.7	-169.8	162.5	0	0	0	111.6	I119 F120 L121 Y171 I174 L178 T179 V205 V208	I119-I183 HydrophobicContact CG2-CD1 4.08Å; I119-I183 HydrophobicContact CG2-CG1 4.04Å; F120-I183 WeakPolarHBondContact O-CA 3.42Å; L121-I183 HydrophobicContact CD2-CB 4.09Å; L121-I183 HydrophobicContact CD2-CD1 3.49Å; L121-I183 VanDerWaalsContact CD2-CD1 3.49Å; L121-I183 HydrophobicContact CD2-CG1 3.72Å; Y171-I183 HydrophobicContact CE1-CD1 4.28Å; I174-I183 HydrophobicContact CD1-CD1 3.96Å; L178-I183 HydrophobicContact CB-CG2 4.1Å; L178-I183 HydrophobicContact CD1-CB 4.37Å; L178-I183 HydrophobicContact CD1-CG2 4.02Å; T179-I183 PolarHBondContact O-N 2.9Å; I183-V205 HydrophobicContact CG2-CG2 4.07Å; I183-V208 HydrophobicContact CD1-CG1 3.67Å; I183-V208 HydrophobicContact CG1-CG1 4.28Å; I183-V208 HydrophobicContact CG2-CG1 3.92Å
184	Q	95.8	Very high	91.8	Very high	57 Å²	57	51 Å²	51	27%	0.266	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	111.5	174.3	-175.9	-178.3	-54.8	0	0	110.3	F120 E186 K202	F120-Q184 HydrophobicContact CB-CB 4.49Å; F120-Q184 PolarHBondContact N-O 3.48Å; F120-Q184 PolarHBondContact O-N 2.81Å; Q184-E186 PolarHBondContact NE2-OE2 3.39Å; Q184-K202 HydrophobicContact CG-CD 4.25Å; Q184-K202 VanDerWaalsContact NE2-CE 3.28Å; Q184-K202 VanDerWaalsContact NE2-NZ 3.11Å
185	S	97.5	Very high	91.1	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.8	173.7	-47.7	0	0	0	0	110.4	N118 Y171 K202 V203	N118-S185 CarbonylContact O-C 3.59Å; N118-S185 WeakPolarHBondContact O-CA 3.48Å; Y171-S185 WeakPolarHBondContact CE1-OG 3.21Å; Y171-S185 WeakPolarHBondContact OH-CB 3.28Å; Y171-S185 PolarHBondContact OH-OG 3.3Å; S185-K202 VanDerWaalsContact O-CA 3.32Å; S185-K202 WeakPolarHBondContact O-CA 3.44Å; S185-V203 PolarHBondContact O-N 3.49Å
186	E	96.3	Very high	90.7	Very high	18 Å²	18	57.7 Å²	57.7	8%	0.084	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.6	-169.4	-175.8	164.3	-146.7	0	0	113.8	N118 Q184 H200 I201 K202	N118-E186 PolarHBondContact N-O 2.93Å; N118-E186 PolarHBondContact O-N 3.43Å; Q184-E186 PolarHBondContact NE2-OE2 3.39Å; E186-H200 WeakPolarHBondContact OE1-CB 3.41Å; E186-H200 IonicContact OE1-CE1 2.99Å; E186-H200 IonicContact OE1-CG 2.79Å; E186-H200 IonicContact OE1-ND1 2.84Å; E186-H200 PolarHBondContact OE1-ND1 3.16Å; E186-I201 CarbonylContact C-O 3.57Å; E186-I201 VanDerWaalsContact CA-O 3.26Å; E186-I201 WeakPolarHBondContact CA-O 3.29Å; E186-K202 HydrophobicContact CB-CG 4.39Å; E186-K202 HydrophobicContact CG-CG 4.19Å; E186-K202 VanDerWaalsContact OE1-CE 3.29Å; E186-K202 WeakPolarHBondContact OE1-CE 3.39Å
187	I	97.1	Very high	90.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.4	161.4	-60.5	180	0	0	0	107.5	F90 Y91 I117 I167 F169 I201 Y216	F90-I187 HydrophobicContact CE2-CG2 3.61Å; F90-I187 HydrophobicContact CZ-CG2 3.62Å; Y91-I187 HydrophobicContact CE2-CG2 4.07Å; I117-I187 HydrophobicContact CG1-CG1 4.49Å; I117-I187 HydrophobicContact CG2-CG1 4.42Å; I167-I187 HydrophobicContact CB-CD1 4.17Å; I167-I187 HydrophobicContact CD1-CD1 4.1Å; I167-I187 HydrophobicContact CG2-CD1 3.8Å; F169-I187 HydrophobicContact CE2-CG1 4.32Å; F169-I187 HydrophobicContact CZ-CD1 4.45Å; F169-I187 HydrophobicContact CZ-CG1 3.78Å; I187-I201 HydrophobicContact CB-CB 4.37Å; I187-I201 PolarHBondContact N-O 3.39Å; I187-I201 PolarHBondContact O-N 3.16Å; I187-Y216 HydrophobicContact CD1-CD1 4Å; I187-Y216 HydrophobicContact CD1-CD2 3.27Å; I187-Y216 HydrophobicContact CD1-CE1 4.27Å; I187-Y216 HydrophobicContact CD1-CE2 3.56Å; I187-Y216 HydrophobicContact CD1-CG 3.46Å; I187-Y216 VanDerWaalsContact CD1-CG 3.46Å; I187-Y216 HydrophobicContact CG1-CD2 4.37Å; I187-Y216 HydrophobicContact CG1-CE2 4.23Å
188	L	95.8	Very high	90.8	Very high	33 Å²	33	53.2 Å²	53.2	17%	0.173	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122	178	175.8	62.3	0	0	0	109.5	F90 G115 L116 F198 T199 H200	F90-L188 WeakPolarHBondContact CZ-O 3.25Å; G115-L188 CarbonylContact C-O 3.51Å; G115-L188 WeakPolarHBondContact CA-O 3.44Å; L116-L188 HydrophobicContact CB-CB 4.09Å; L116-L188 HydrophobicContact CB-CD2 4.23Å; L116-L188 PolarHBondContact N-O 3.28Å; L116-L188 PolarHBondContact O-N 3.13Å; L188-F198 HydrophobicContact CD1-CB 4.01Å; L188-F198 HydrophobicContact CD1-CD1 3.92Å; L188-F198 HydrophobicContact CD1-CG 4.42Å; L188-F198 HydrophobicContact CD2-CD1 4.48Å; L188-F198 HydrophobicContact CG-CD1 4.46Å; L188-T199 WeakPolarHBondContact CA-O 3.14Å; L188-T199 WeakPolarHBondContact CD1-O 3.26Å; L188-H200 WeakPolarHBondContact CD1-CE1 3.47Å; L188-H200 WeakPolarHBondContact CD1-ND1 3.49Å
189	G	94.2	Very high	90.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.2	165.1	0	0	0	0	0	110.5	F198 T199	G189-F198 CarbonylContact O-C 3.5Å; G189-F198 VanDerWaalsContact O-CA 3.25Å; G189-F198 WeakPolarHBondContact O-CA 3.3Å; G189-T199 PolarHBondContact N-O 3.44Å; G189-T199 PolarHBondContact O-N 2.92Å
190	K	92.6	Very high	90.9	Very high	75 Å²	75	53 Å²	53	33%	0.326	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.1	167.5	171.9	178.7	155.7	161.2	0	107.2	S114 Q196 R197 F198	S114-K190 PolarHBondContact N-O 2.9Å; S114-K190 WeakPolarHBondContact O-CA 3.31Å; S114-K190 WeakPolarHBondContact O-CB 3.39Å; S114-K190 PolarHBondContact O-N 3.02Å; S114-K190 WeakPolarHBondContact OG-CD 3.27Å; K190-Q196 VanDerWaalsContact CD-CD 3.49Å; K190-Q196 HydrophobicContact CD-CG 4.02Å; K190-Q196 VanDerWaalsContact CE-NE2 3.33Å; K190-Q196 HydrophobicContact CG-CG 3.7Å; K190-Q196 VanDerWaalsContact NZ-CD 3.33Å; K190-R197 WeakPolarHBondContact CA-O 3.35Å; K190-F198 HydrophobicContact CB-CD1 4.11Å; K190-F198 HydrophobicContact CB-CE1 4.22Å; K190-F198 HydrophobicContact CD-CE1 4.33Å; K190-F198 HydrophobicContact CG-CD1 4.42Å; K190-F198 HydrophobicContact CG-CE1 4.19Å
191	L	88.8	Confident	91.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.8	-172.5	-67.6	140.6	0	0	0	109.8	Y27 I29 Y54 E113 R197 T199	Y27-L191 HydrophobicContact CD1-CD2 3.57Å; Y27-L191 HydrophobicContact CD2-CD2 4Å; Y27-L191 HydrophobicContact CE1-CD2 3.63Å; Y27-L191 HydrophobicContact CE2-CD2 4.07Å; Y27-L191 HydrophobicContact CG-CD2 3.78Å; I29-L191 HydrophobicContact CD1-CD1 4.04Å; I29-L191 HydrophobicContact CG2-CD1 4.18Å; Y54-L191 HydrophobicContact CE1-CD1 4.27Å; E113-L191 VanDerWaalsContact OE2-C 3.26Å; E113-L191 WeakPolarHBondContact OE2-CA 3.43Å; L191-R197 HydrophobicContact CB-CB 4.43Å; L191-R197 PolarHBondContact N-O 2.99Å; L191-R197 PolarHBondContact O-N 2.87Å; L191-T199 HydrophobicContact CD1-CG2 3.57Å
192	F	83.7	Confident	91.3	Very high	119 Å²	119	45 Å²	45	52%	0.522	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.3	180	-168.5	-105.1	0	0	0	111.9	E113	E113-F192 VanDerWaalsContact CD-N 3.28Å; E113-F192 PolarHBondContact OE1-N 3.17Å; E113-F192 PolarHBondContact OE2-N 3.34Å
193	C	80.9	Confident	91.5	Very high	35 Å²	35	45 Å²	45	24%	0.236	23%	0.228	C	C	.	.	S	Bend	trans	-117	32.8	-179.5	-61	0	0	0	0	111.8	C30 V195 R197	C30-C193 WeakPolarHBondContact CA-SG 3.39Å; C30-C193 HydrophobicContact CB-CB 3.53Å; C30-C193 WeakPolarHBondContact CB-SG 3.45Å; C30-C193 VanDerWaalsContact SG-CA 3.54Å; C30-C193 WeakPolarHBondContact SG-CB 3.42Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 2.89Å; C193-V195 PolarHBondContact N-O 3.33Å; C193-V195 PolarHBondContact O-N 3.35Å; C193-V195 VanDerWaalsContact O-N 3.09Å; C193-R197 HydrophobicContact CB-CG 4.09Å
194	G	80.8	Confident	91.5	Very high	59 Å²	59	46 Å²	46	61%	0.608	24%	0.235	S	C	*	.	S	Bend	trans	76.6	-26.7	-161.1	0	0	0	0	0	113.3
195	V	82.8	Confident	91.5	Very high	85 Å²	85	45 Å²	45	52%	0.515	23%	0.233	S	C	.	.	S	Bend	trans	-122.2	148.9	160	-64.6	0	0	0	0	109	C193 R197	C193-V195 PolarHBondContact N-O 3.33Å; C193-V195 PolarHBondContact O-N 3.35Å; C193-V195 VanDerWaalsContact O-N 3.09Å; V195-R197 PolarHBondContact O-N 3.07Å
196	Q	85.2	Confident	91.3	Very high	88 Å²	88	50.7 Å²	50.7	41%	0.411	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.2	177.9	-165.6	174.4	-50.1	0	0	110.4	K190 F198	K190-Q196 VanDerWaalsContact CD-CD 3.49Å; K190-Q196 HydrophobicContact CD-CG 4.02Å; K190-Q196 VanDerWaalsContact CE-NE2 3.33Å; K190-Q196 HydrophobicContact CG-CG 3.7Å; K190-Q196 VanDerWaalsContact NZ-CD 3.33Å; Q196-F198 HydrophobicContact CG-CE2 4.24Å; Q196-F198 HydrophobicContact CG-CZ 4.18Å
197	R	88.1	Confident	91.3	Very high	92 Å²	92	50.1 Å²	50.1	35%	0.347	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	152.1	174.7	-64.2	-66.9	-176.6	155.5	-0.8	109	K190 L191 C193 V195	K190-R197 WeakPolarHBondContact CA-O 3.35Å; L191-R197 HydrophobicContact CB-CB 4.43Å; L191-R197 PolarHBondContact N-O 2.99Å; L191-R197 PolarHBondContact O-N 2.87Å; C193-R197 HydrophobicContact CB-CG 4.09Å; V195-R197 PolarHBondContact O-N 3.07Å
198	F	91.6	Very high	91.3	Very high	89 Å²	89	50.8 Å²	50.8	39%	0.39	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.4	177.5	-58.4	-89.2	0	0	0	109.9	A36 L188 G189 K190 Q196 H200	A36-F198 WeakPolarHBondContact CB-O 3.31Å; L188-F198 HydrophobicContact CD1-CB 4.01Å; L188-F198 HydrophobicContact CD1-CD1 3.92Å; L188-F198 HydrophobicContact CD1-CG 4.42Å; L188-F198 HydrophobicContact CD2-CD1 4.48Å; L188-F198 HydrophobicContact CG-CD1 4.46Å; G189-F198 CarbonylContact O-C 3.5Å; G189-F198 VanDerWaalsContact O-CA 3.25Å; G189-F198 WeakPolarHBondContact O-CA 3.3Å; K190-F198 HydrophobicContact CB-CD1 4.11Å; K190-F198 HydrophobicContact CB-CE1 4.22Å; K190-F198 HydrophobicContact CD-CE1 4.33Å; K190-F198 HydrophobicContact CG-CD1 4.42Å; K190-F198 HydrophobicContact CG-CE1 4.19Å; Q196-F198 HydrophobicContact CG-CE2 4.24Å; Q196-F198 HydrophobicContact CG-CZ 4.18Å; F198-H200 WeakPolarHBondContact CB-NE2 3.4Å
199	T	93.1	Very high	91.3	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.6	171.1	175.6	0	0	0	0	107.9	A36 Y54 Y91 L188 G189 L191	A36-T199 PolarHBondContact O-OG1 2.84Å; Y54-T199 HydrophobicContact CD1-CG2 4.43Å; Y91-T199 HydrophobicContact CD1-CG2 3.82Å; Y91-T199 HydrophobicContact CD2-CG2 4.45Å; Y91-T199 HydrophobicContact CE1-CG2 3.3Å; Y91-T199 HydrophobicContact CE2-CG2 3.99Å; Y91-T199 HydrophobicContact CG-CG2 4.37Å; L188-T199 WeakPolarHBondContact CA-O 3.14Å; L188-T199 WeakPolarHBondContact CD1-O 3.26Å; G189-T199 PolarHBondContact N-O 3.44Å; G189-T199 PolarHBondContact O-N 2.92Å; L191-T199 HydrophobicContact CD1-CG2 3.57Å
200	H	94.3	Very high	91.4	Very high	78 Å²	78	54.7 Å²	54.7	36%	0.361	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.6	-170.2	-64.6	-104.4	0	0	0	109.2	E186 L188 F198	E186-H200 WeakPolarHBondContact OE1-CB 3.41Å; E186-H200 IonicContact OE1-CE1 2.99Å; E186-H200 IonicContact OE1-CG 2.79Å; E186-H200 IonicContact OE1-ND1 2.84Å; E186-H200 PolarHBondContact OE1-ND1 3.16Å; L188-H200 WeakPolarHBondContact CD1-CE1 3.47Å; L188-H200 WeakPolarHBondContact CD1-ND1 3.49Å; F198-H200 WeakPolarHBondContact CB-NE2 3.4Å
201	I	95.8	Very high	91.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.8	172.4	-52.1	175.1	0	0	0	107.6	Y53 Y56 Y91 E186 I187 Y216	Y53-I201 HydrophobicContact CD1-CB 4.38Å; Y53-I201 HydrophobicContact CD1-CG1 4.02Å; Y53-I201 HydrophobicContact CD1-CG2 3.86Å; Y53-I201 HydrophobicContact CD2-CG2 3.78Å; Y53-I201 HydrophobicContact CE1-CG2 3.89Å; Y53-I201 HydrophobicContact CE2-CG2 3.83Å; Y53-I201 HydrophobicContact CG-CB 4.48Å; Y53-I201 HydrophobicContact CG-CD1 4.11Å; Y53-I201 HydrophobicContact CG-CG1 3.98Å; Y53-I201 HydrophobicContact CG-CG2 3.79Å; Y56-I201 HydrophobicContact CD2-CD1 3.79Å; Y56-I201 HydrophobicContact CG-CD1 4.15Å; Y91-I201 WeakPolarHBondContact OH-CD1 3.32Å; E186-I201 CarbonylContact C-O 3.57Å; E186-I201 VanDerWaalsContact CA-O 3.26Å; E186-I201 WeakPolarHBondContact CA-O 3.29Å; I187-I201 HydrophobicContact CB-CB 4.37Å; I187-I201 PolarHBondContact N-O 3.39Å; I187-I201 PolarHBondContact O-N 3.16Å; I201-Y216 HydrophobicContact CB-CE1 4.43Å; I201-Y216 HydrophobicContact CG2-CD1 4.18Å; I201-Y216 HydrophobicContact CG2-CE1 3.42Å; I201-Y216 VanDerWaalsContact CG2-CE1 3.42Å
202	K	95.8	Very high	92	Very high	94 Å²	94	56.7 Å²	56.7	41%	0.409	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	150.5	-179.3	-60.8	-173.5	-176.7	-169.5	0	111.3	Q58 Q184 S185 E186	Q58-K202 PolarHBondContact NE2-O 2.72Å; Q184-K202 HydrophobicContact CG-CD 4.25Å; Q184-K202 VanDerWaalsContact NE2-CE 3.28Å; Q184-K202 VanDerWaalsContact NE2-NZ 3.11Å; S185-K202 VanDerWaalsContact O-CA 3.32Å; S185-K202 WeakPolarHBondContact O-CA 3.44Å; E186-K202 HydrophobicContact CB-CG 4.39Å; E186-K202 HydrophobicContact CG-CG 4.19Å; E186-K202 VanDerWaalsContact OE1-CE 3.29Å; E186-K202 WeakPolarHBondContact OE1-CE 3.39Å
203	V	96.7	Very high	92.6	Very high	10 Å²	10	51.5 Å²	51.5	6%	0.061	26%	0.264	C	S	.	.			trans	-84.8	124.7	166.2	-175.4	0	0	0	0	108.9	I60 F169 Y171 S185 V205 W207 V208 V214 Y216	I60-V203 HydrophobicContact CD1-CG1 4.45Å; F169-V203 HydrophobicContact CD2-CG2 3.7Å; F169-V203 HydrophobicContact CE2-CG2 4.17Å; Y171-V203 HydrophobicContact CE2-CG1 4.34Å; Y171-V203 WeakPolarHBondContact OH-CB 3.5Å; Y171-V203 WeakPolarHBondContact OH-CG1 3.36Å; Y171-V203 WeakPolarHBondContact OH-CG2 3.33Å; S185-V203 PolarHBondContact O-N 3.49Å; V203-V205 PolarHBondContact O-N 3.02Å; V203-W207 HydrophobicContact CG1-CB 4.34Å; V203-V208 HydrophobicContact CB-CG2 4.45Å; V203-V208 HydrophobicContact CG1-CG2 3.85Å; V203-V214 HydrophobicContact CG1-CG2 3.9Å; V203-V214 HydrophobicContact CG2-CB 4.34Å; V203-V214 HydrophobicContact CG2-CG1 3.98Å; V203-V214 HydrophobicContact CG2-CG2 4.04Å; V203-Y216 WeakPolarHBondContact CG2-OH 3.24Å
204	P	94.9	Very high	93.4	Very high	29 Å²	29	49.9 Å²	49.9	19%	0.188	25%	0.253	C	S	.	.			trans	-65	131.9	175.2	-14.3	27	0	0	0	110.4	K206 W207	P204-K206 HydrophobicContact CB-CG 4.37Å; P204-K206 PolarHBondContact O-N 2.81Å; P204-W207 WeakPolarHBondContact O-CB 3.3Å; P204-W207 PolarHBondContact O-N 3.31Å
205	V	94.8	Very high	94.2	Very high	36 Å²	36	47.4 Å²	47.4	22%	0.218	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-57.9	-28.2	-172	70.4	0	0	0	0	114	E180 I183 V203 W207 V208	E180-V205 HydrophobicContact CG-CB 3.84Å; E180-V205 HydrophobicContact CG-CG1 3.47Å; E180-V205 VanDerWaalsContact CG-CG1 3.47Å; I183-V205 HydrophobicContact CG2-CG2 4.07Å; V203-V205 PolarHBondContact O-N 3.02Å; V205-W207 PolarHBondContact O-N 3.44Å; V205-V208 WeakPolarHBondContact O-CB 3.33Å; V205-V208 PolarHBondContact O-N 2.67Å
206	K	94.8	Very high	94.8	Very high	120 Å²	120	43.4 Å²	43.4	52%	0.522	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-59.9	-19.8	176.5	72.2	179.9	-172	175.6	0	114.1	E44 R62 P204	E44-K206 WeakPolarHBondContact OE1-CE 3.49Å; E44-K206 IonicContact OE1-NZ 3.11Å; E44-K206 PolarHBondContact OE1-NZ 2.79Å; R62-K206 PolarHBondContact NH2-O 2.66Å; P204-K206 HydrophobicContact CB-CG 4.37Å; P204-K206 PolarHBondContact O-N 2.81Å
207	W	95.6	Very high	95.2	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.019	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-94.9	-6.6	175.8	-69	100.6	0	0	0	112.9	E44 G45 K49 I60 R62 V203 P204 V205 E209 T212	E44-W207 HydrophobicContact CG-CZ2 4.09Å; G45-W207 VanDerWaalsContact O-CH2 3.27Å; G45-W207 WeakPolarHBondContact O-CH2 3.45Å; K49-W207 HydrophobicContact CB-CH2 3.9Å; K49-W207 HydrophobicContact CB-CZ2 3.56Å; K49-W207 HydrophobicContact CD-CZ2 3.98Å; K49-W207 HydrophobicContact CG-CZ2 4.39Å; I60-W207 HydrophobicContact CB-CD2 4.37Å; I60-W207 HydrophobicContact CB-CE3 4.25Å; I60-W207 HydrophobicContact CD1-CB 4.05Å; I60-W207 HydrophobicContact CD1-CD2 4.16Å; I60-W207 HydrophobicContact CD1-CG 3.76Å; I60-W207 HydrophobicContact CG2-CB 3.98Å; I60-W207 HydrophobicContact CG2-CD2 3.76Å; I60-W207 HydrophobicContact CG2-CE3 3.43Å; I60-W207 VanDerWaalsContact CG2-CE3 3.43Å; I60-W207 HydrophobicContact CG2-CG 4Å; I60-W207 HydrophobicContact CG2-CZ3 4.15Å; R62-W207 HydrophobicContact CG-CE3 4.07Å; R62-W207 HydrophobicContact CG-CZ3 4.03Å; V203-W207 HydrophobicContact CG1-CB 4.34Å; P204-W207 WeakPolarHBondContact O-CB 3.3Å; P204-W207 PolarHBondContact O-N 3.31Å; V205-W207 PolarHBondContact O-N 3.44Å; W207-E209 PolarHBondContact O-N 3.44Å; W207-E209 VanDerWaalsContact O-N 3.12Å; W207-T212 WeakPolarHBondContact O-CB 3.35Å; W207-T212 VanDerWaalsContact O-CG2 3.25Å; W207-T212 WeakPolarHBondContact O-CG2 3.37Å; W207-T212 PolarHBondContact O-OG1 3.14Å
208	V	95.9	Very high	95.3	Very high	15 Å²	15	42.3 Å²	42.3	9%	0.091	20%	0.199	C	C	.	.			trans	-88.2	84.9	-175.1	-178.2	0	0	0	0	109.3	Y171 I174 I183 V203 V205	Y171-V208 HydrophobicContact CD1-CG1 3.66Å; Y171-V208 HydrophobicContact CE1-CB 4.35Å; Y171-V208 HydrophobicContact CE1-CG1 3.51Å; Y171-V208 HydrophobicContact CE1-CG2 4.12Å; Y171-V208 HydrophobicContact CE2-CG2 4.22Å; Y171-V208 HydrophobicContact CG-CG1 4.25Å; I174-V208 HydrophobicContact CD1-CG1 4.49Å; I174-V208 HydrophobicContact CG1-CG1 4.48Å; I174-V208 HydrophobicContact CG2-CG1 4.47Å; I183-V208 HydrophobicContact CD1-CG1 3.67Å; I183-V208 HydrophobicContact CG1-CG1 4.28Å; I183-V208 HydrophobicContact CG2-CG1 3.92Å; V203-V208 HydrophobicContact CB-CG2 4.45Å; V203-V208 HydrophobicContact CG1-CG2 3.85Å; V205-V208 WeakPolarHBondContact O-CB 3.33Å; V205-V208 PolarHBondContact O-N 2.67Å
209	E	95.9	Very high	95.1	Very high	66 Å²	66	38.4 Å²	38.4	31%	0.308	18%	0.182	S	C	.	.	S	Bend	trans	-137.4	160.8	176.3	62.5	178.4	-161.8	0	0	110.5	R62 Y171 W207 R211 T212	R62-E209 WeakPolarHBondContact CD-OE1 3.28Å; R62-E209 WeakPolarHBondContact CG-OE1 3.35Å; R62-E209 IonicContact CZ-OE1 3.95Å; R62-E209 IonicContact CZ-OE2 3.96Å; R62-E209 IonicContact NE-OE1 2.73Å; R62-E209 PolarHBondContact NE-OE1 3Å; R62-E209 IonicContact NE-OE2 3.56Å; R62-E209 IonicContact NH2-OE2 3.83Å; Y171-E209 VanDerWaalsContact CB-O 3.31Å; Y171-E209 WeakPolarHBondContact CB-O 3.41Å; W207-E209 PolarHBondContact O-N 3.44Å; W207-E209 VanDerWaalsContact O-N 3.12Å; E209-R211 PolarHBondContact O-N 3.02Å; E209-T212 WeakPolarHBondContact CG-OG1 3.24Å; E209-T212 VanDerWaalsContact O-CB 3.31Å; E209-T212 WeakPolarHBondContact O-CB 3.48Å; E209-T212 PolarHBondContact O-N 3.32Å; E209-T212 VanDerWaalsContact O-N 3.14Å; E209-T212 PolarHBondContact O-OG1 3.34Å; E209-T212 VanDerWaalsContact O-OG1 3.12Å
210	S	96.9	Very high	94.7	Very high	49 Å²	49	39.2 Å²	39.2	34%	0.343	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	140.2	178	-58.5	0	0	0	0	111.3	Y171 I174 T212	Y171-S210 CarbonylContact O-C 3.5Å; Y171-S210 WeakPolarHBondContact O-CA 3.36Å; I174-S210 PolarHBondContact N-OG 3.19Å; I174-S210 PolarHBondContact O-OG 3.3Å; I174-S210 VanDerWaalsContact O-OG 3.11Å; S210-T212 VanDerWaalsContact C-N 3.26Å; S210-T212 PolarHBondContact O-N 2.92Å
211	R	96.4	Very high	94.3	Very high	119 Å²	119	39.7 Å²	39.7	45%	0.449	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	25.3	-178.6	-53.5	179.8	62.5	-173.5	-2.1	114.2	N63 Q64 Y171 E209	N63-R211 CarbonylContact C-O 3.55Å; N63-R211 WeakPolarHBondContact CA-O 3.05Å; N63-R211 PolarHBondContact N-O 3.43Å; N63-R211 PolarHBondContact O-NH2 3.47Å; Q64-R211 PolarHBondContact N-O 3.36Å; Q64-R211 WeakPolarHBondContact O-CB 3.44Å; Y171-R211 PolarHBondContact O-N 2.87Å; E209-R211 PolarHBondContact O-N 3.02Å
212	T	97.3	Very high	94	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133	169.2	-61.6	0	0	0	0	111.1	I60 R61 Y170 Y171 W207 E209 S210 V214	I60-T212 HydrophobicContact CG2-CG2 3.68Å; R61-T212 WeakPolarHBondContact O-CA 3.16Å; Y170-T212 WeakPolarHBondContact CA-O 3.25Å; Y171-T212 HydrophobicContact CD2-CG2 4.18Å; Y171-T212 WeakPolarHBondContact CD2-O 3.27Å; Y171-T212 PolarHBondContact N-O 3.43Å; W207-T212 WeakPolarHBondContact O-CB 3.35Å; W207-T212 VanDerWaalsContact O-CG2 3.25Å; W207-T212 WeakPolarHBondContact O-CG2 3.37Å; W207-T212 PolarHBondContact O-OG1 3.14Å; E209-T212 WeakPolarHBondContact CG-OG1 3.24Å; E209-T212 VanDerWaalsContact O-CB 3.31Å; E209-T212 WeakPolarHBondContact O-CB 3.48Å; E209-T212 PolarHBondContact O-N 3.32Å; E209-T212 VanDerWaalsContact O-N 3.14Å; E209-T212 PolarHBondContact O-OG1 3.34Å; E209-T212 VanDerWaalsContact O-OG1 3.12Å; S210-T212 VanDerWaalsContact C-N 3.26Å; S210-T212 PolarHBondContact O-N 2.92Å; T212-V214 HydrophobicContact CG2-CG2 4.36Å
213	L	97.4	Very high	93.7	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.3	172.4	-178.8	65.7	0	0	0	109.3	I60 R61 Q64 P67 Y170 E215	I60-L213 WeakPolarHBondContact CA-O 3.33Å; R61-L213 PolarHBondContact N-O 2.88Å; R61-L213 PolarHBondContact O-N 3.27Å; Q64-L213 HydrophobicContact CB-CB 3.83Å; Q64-L213 HydrophobicContact CG-CB 3.84Å; P67-L213 HydrophobicContact CG-CD1 4.38Å; Y170-L213 HydrophobicContact CD2-CB 4.13Å; Y170-L213 HydrophobicContact CD2-CD1 4.05Å; L213-E215 HydrophobicContact CD1-CG 4.27Å; L213-E215 HydrophobicContact CD2-CG 3.96Å; L213-E215 HydrophobicContact CG-CG 3.83Å
214	V	97.6	Very high	93.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.5	170.6	-177.8	0	0	0	0	107.8	Q58 T59 I60 S168 F169 Y171 V203 T212 Y216	Q58-V214 HydrophobicContact CG-CG1 3.8Å; T59-V214 CarbonylContact O-C 3.51Å; T59-V214 WeakPolarHBondContact O-CA 3.4Å; I60-V214 HydrophobicContact CB-CG2 4.47Å; I60-V214 HydrophobicContact CD1-CG2 4.41Å; I60-V214 HydrophobicContact CG1-CG1 4.13Å; I60-V214 HydrophobicContact CG1-CG2 4.07Å; I60-V214 HydrophobicContact CG2-CG2 4.04Å; S168-V214 CarbonylContact C-O 3.53Å; S168-V214 WeakPolarHBondContact CA-O 3.24Å; S168-V214 WeakPolarHBondContact CB-O 3.28Å; F169-V214 HydrophobicContact CB-CB 4.29Å; F169-V214 PolarHBondContact N-O 2.81Å; F169-V214 PolarHBondContact O-N 3.39Å; Y171-V214 HydrophobicContact CE2-CG2 3.86Å; V203-V214 HydrophobicContact CG1-CG2 3.9Å; V203-V214 HydrophobicContact CG2-CB 4.34Å; V203-V214 HydrophobicContact CG2-CG1 3.98Å; V203-V214 HydrophobicContact CG2-CG2 4.04Å; T212-V214 HydrophobicContact CG2-CG2 4.36Å; V214-Y216 HydrophobicContact CG1-CD2 4.37Å; V214-Y216 HydrophobicContact CG1-CE1 4.36Å; V214-Y216 HydrophobicContact CG1-CE2 3.66Å
215	E	96.5	Very high	92.9	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.7	179.6	-58.4	-171.4	111.2	0	0	110.4	Q58 T59 R61 K166 I167 L213	Q58-E215 CarbonylContact C-O 3.55Å; Q58-E215 VanDerWaalsContact CA-O 3.31Å; Q58-E215 WeakPolarHBondContact CA-O 3.24Å; T59-E215 PolarHBondContact N-O 3.41Å; T59-E215 PolarHBondContact O-N 3.24Å; R61-E215 IonicContact CZ-OE2 3.55Å; R61-E215 VanDerWaalsContact CZ-OE2 3.31Å; R61-E215 IonicContact NH1-OE2 3.64Å; R61-E215 PolarHBondContact NH1-OE2 2.85Å; R61-E215 IonicContact NH2-OE2 2.66Å; R61-E215 PolarHBondContact NH2-OE2 3.23Å; K166-E215 HydrophobicContact CD-CB 4.32Å; K166-E215 WeakPolarHBondContact CE-OE1 3Å; K166-E215 IonicContact NZ-OE1 2.66Å; K166-E215 PolarHBondContact NZ-OE1 2.59Å; I167-E215 CarbonylContact O-C 3.55Å; L213-E215 HydrophobicContact CD1-CG 4.27Å; L213-E215 HydrophobicContact CD2-CG 3.96Å; L213-E215 HydrophobicContact CG-CG 3.83Å
216	Y	96.2	Very high	92.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.8	176.1	-58.4	-85.1	0	0	0	110.1	S57 Q58 K166 I167 F169 I187 I201 V203 V214	S57-Y216 VanDerWaalsContact O-CA 3.22Å; S57-Y216 WeakPolarHBondContact O-CA 3.38Å; Q58-Y216 HydrophobicContact CB-CD1 3.96Å; Q58-Y216 HydrophobicContact CB-CE1 3.81Å; Q58-Y216 HydrophobicContact CG-CD1 4.16Å; Q58-Y216 HydrophobicContact CG-CE1 3.62Å; Q58-Y216 VanDerWaalsContact NE2-CE1 3.31Å; Q58-Y216 PolarHBondContact NE2-OH 3Å; K166-Y216 WeakPolarHBondContact CA-O 3.48Å; K166-Y216 WeakPolarHBondContact CG-O 3.25Å; I167-Y216 HydrophobicContact CG2-CD2 4.41Å; I167-Y216 PolarHBondContact N-O 3.32Å; I167-Y216 PolarHBondContact O-N 2.99Å; F169-Y216 AromaticContact CD2-CE2 3.84Å; F169-Y216 HydrophobicContact CD2-CE2 3.84Å; F169-Y216 AromaticContact CE2-CE2 3.76Å; F169-Y216 HydrophobicContact CE2-CE2 3.76Å; F169-Y216 HydrophobicContact CG-CE2 4.45Å; F169-Y216 HydrophobicContact CZ-CE2 4.3Å; I187-Y216 HydrophobicContact CD1-CD1 4Å; I187-Y216 HydrophobicContact CD1-CD2 3.27Å; I187-Y216 HydrophobicContact CD1-CE1 4.27Å; I187-Y216 HydrophobicContact CD1-CE2 3.56Å; I187-Y216 HydrophobicContact CD1-CG 3.46Å; I187-Y216 VanDerWaalsContact CD1-CG 3.46Å; I187-Y216 HydrophobicContact CG1-CD2 4.37Å; I187-Y216 HydrophobicContact CG1-CE2 4.23Å; I201-Y216 HydrophobicContact CB-CE1 4.43Å; I201-Y216 HydrophobicContact CG2-CD1 4.18Å; I201-Y216 HydrophobicContact CG2-CE1 3.42Å; I201-Y216 VanDerWaalsContact CG2-CE1 3.42Å; V203-Y216 WeakPolarHBondContact CG2-OH 3.24Å; V214-Y216 HydrophobicContact CG1-CD2 4.37Å; V214-Y216 HydrophobicContact CG1-CE1 4.36Å; V214-Y216 HydrophobicContact CG1-CE2 3.66Å
217	E	93.4	Very high	92.3	Very high	50 Å²	50	38.6 Å²	38.6	23%	0.234	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.5	-178.2	-69.2	-178.3	112.1	0	0	110.3	Y56 S57 K166 V219 N254	Y56-E217 CarbonylContact C-O 3.53Å; Y56-E217 VanDerWaalsContact CA-O 3.25Å; Y56-E217 WeakPolarHBondContact CA-O 3.34Å; S57-E217 PolarHBondContact N-O 2.7Å; S57-E217 PolarHBondContact O-N 3.45Å; S57-E217 PolarHBondContact OG-O 3.19Å; K166-E217 HydrophobicContact CB-CG 4.18Å; K166-E217 HydrophobicContact CD-CG 3.7Å; K166-E217 HydrophobicContact CG-CG 3.7Å; E217-V219 PolarHBondContact O-N 3.07Å; E217-N254 PolarHBondContact OE2-ND2 2.9Å
218	F	90.1	Very high	92.1	Very high	108 Å²	108	40.9 Å²	40.9	47%	0.474	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125.9	177.6	176.4	-118.7	0	0	0	110.1	Y55 G220	Y55-F218 AromaticContact CD1-CD2 3.9Å; Y55-F218 HydrophobicContact CD1-CD2 3.9Å; Y55-F218 AromaticContact CD1-CE2 3.4Å; Y55-F218 HydrophobicContact CD1-CE2 3.4Å; Y55-F218 VanDerWaalsContact CD1-CE2 3.4Å; Y55-F218 HydrophobicContact CD1-CZ 4.5Å; Y55-F218 AromaticContact CE1-CE2 3.79Å; Y55-F218 HydrophobicContact CE1-CE2 3.79Å; Y55-F218 HydrophobicContact CG-CE2 4.26Å; Y55-F218 WeakPolarHBondContact O-CA 3.12Å; Y55-F218 VanDerWaalsContact O-CD2 3.26Å; Y55-F218 WeakPolarHBondContact O-CD2 3.44Å; F218-G220 VanDerWaalsContact C-N 3.28Å; F218-G220 PolarHBondContact O-N 3.44Å
219	V	87.7	Confident	91.9	Very high	6 Å²	6	46 Å²	46	4%	0.036	23%	0.234	C	C	.	.			trans	-78.1	-16.1	-176.4	-151.3	0	0	0	0	112.6	H52 Y55 E217 P223 T252	H52-V219 WeakPolarHBondContact CE1-CG1 2.97Å; Y55-V219 PolarHBondContact O-N 3Å; E217-V219 PolarHBondContact O-N 3.07Å; V219-P223 HydrophobicContact CB-CG 3.9Å; V219-P223 HydrophobicContact CG1-CG 3.11Å; V219-P223 WeakPolarHBondContact O-CD 3.34Å; V219-T252 PolarHBondContact O-OG1 2.99Å
220	G	84.9	Confident	91.7	Very high	20 Å²	20	44.1 Å²	44.1	21%	0.206	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-147.2	-178.5	0	0	0	0	0	113.2	F218	F218-G220 VanDerWaalsContact C-N 3.28Å; F218-G220 PolarHBondContact O-N 3.44Å
221	D	85.8	Confident	91.5	Very high	88 Å²	88	41.8 Å²	41.8	47%	0.471	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-13.1	-173.9	-73.6	-29.6	0	0	0	113.7	P223 K224 H225	D221-P223 VanDerWaalsContact C-CD 3.45Å; D221-K224 HydrophobicContact CB-CD 4.22Å; D221-K224 WeakPolarHBondContact O-CB 3.5Å; D221-K224 WeakPolarHBondContact O-CG 3.42Å; D221-K224 PolarHBondContact O-N 2.88Å; D221-K224 WeakPolarHBondContact OD1-CD 3.23Å; D221-K224 WeakPolarHBondContact OD1-CE 3.14Å; D221-K224 IonicContact OD1-NZ 3.92Å; D221-K224 PolarHBondContact OD1-NZ 3.34Å; D221-H225 PolarHBondContact O-CD2 2.95Å
222	C	90.1	Very high	91.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-49	-48	-177.6	-57.7	0	0	0	0	112.9	K224 H225 C241 C250 T252	C222-K224 PolarHBondContact O-N 2.89Å; C222-H225 PolarHBondContact O-CD2 2.9Å; C222-H225 PolarHBondContact O-N 3.34Å; C222-C241 VanDerWaalsContact CA-SG 3.57Å; C222-C241 HydrophobicContact CB-CB 3.75Å; C222-C241 WeakPolarHBondContact CB-SG 3.31Å; C222-C241 VanDerWaalsContact SG-CA 3.5Å; C222-C241 WeakPolarHBondContact SG-CB 3.36Å; C222-C241 CovalentContact SG-SG 2.03Å; C222-C241 PolarHBondContact SG-SG 3.23Å; C222-C250 WeakPolarHBondContact O-CB 3.24Å; C222-C250 PolarHBondContact O-SG 3.27Å; C222-T252 PolarHBondContact SG-OG1 3.42Å; C222-T252 VanDerWaalsContact SG-OG1 3.38Å
223	P	88.8	Confident	90.9	Very high	27 Å²	27	45.2 Å²	45.2	18%	0.175	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.7	-10.9	179.9	-24.4	35.9	0	0	0	115.8	V219 D221 M249 C250	V219-P223 HydrophobicContact CB-CG 3.9Å; V219-P223 HydrophobicContact CG1-CG 3.11Å; V219-P223 WeakPolarHBondContact O-CD 3.34Å; D221-P223 VanDerWaalsContact C-CD 3.45Å; P223-M249 HydrophobicContact CB-CE 3.9Å; P223-M249 HydrophobicContact CG-CE 4.3Å; P223-C250 WeakPolarHBondContact CA-O 3.41Å
224	K	85.6	Confident	90.6	Very high	45 Å²	45	45.8 Å²	45.8	20%	0.196	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-79.2	-11.8	178.1	-57.7	178	179.2	175.3	0	112.1	E28 D221 C222	E28-K224 WeakPolarHBondContact OE1-CE 3.47Å; E28-K224 IonicContact OE1-NZ 3.84Å; D221-K224 HydrophobicContact CB-CD 4.22Å; D221-K224 WeakPolarHBondContact O-CB 3.5Å; D221-K224 WeakPolarHBondContact O-CG 3.42Å; D221-K224 PolarHBondContact O-N 2.88Å; D221-K224 WeakPolarHBondContact OD1-CD 3.23Å; D221-K224 WeakPolarHBondContact OD1-CE 3.14Å; D221-K224 IonicContact OD1-NZ 3.92Å; D221-K224 PolarHBondContact OD1-NZ 3.34Å; C222-K224 PolarHBondContact O-N 2.89Å
225	H	89.2	Confident	90.2	Very high	40 Å²	40	48 Å²	48	19%	0.185	26%	0.257	C	S	.	.			trans	-96.4	125.1	-179.7	-59.8	-91.1	0	0	0	109.9	D221 C222 A230 C231 A234 C250	D221-H225 PolarHBondContact O-CD2 2.95Å; C222-H225 PolarHBondContact O-CD2 2.9Å; C222-H225 PolarHBondContact O-N 3.34Å; H225-A230 HydrophobicContact CB-CB 4.09Å; H225-A230 PolarHBondContact ND1-O 2.9Å; H225-C231 HydrophobicContact CB-CB 4.19Å; H225-A234 WeakPolarHBondContact CD2-CB 3.25Å; H225-A234 VanDerWaalsContact CE1-CB 3.49Å; H225-A234 WeakPolarHBondContact CE1-CB 3.36Å; H225-A234 WeakPolarHBondContact NE2-CB 3.27Å; H225-C250 HydrophobicContact CB-CB 4.31Å; H225-C250 WeakPolarHBondContact O-CB 3.23Å
226	N	88.7	Confident	89.8	Confident	85 Å²	85	51.6 Å²	51.6	46%	0.455	28%	0.279	S	S	.	.			trans	-107.2	6.3	-171.5	64.5	-17.4	0	0	0	113.6	W243	N226-W243 VanDerWaalsContact O-CH2 3.28Å; N226-W243 WeakPolarHBondContact O-CH2 3.36Å
227	T	89.4	Confident	89.2	Confident	68 Å²	68	57.1 Å²	57.1	42%	0.417	32%	0.318	S	S	.	.	S	Bend	trans	-132	149.9	173.5	68.6	0	0	0	0	109.3	Q229 A230 C231	T227-Q229 VanDerWaalsContact C-N 3.27Å; T227-Q229 PolarHBondContact O-N 3.5Å; T227-A230 PolarHBondContact O-N 2.93Å; T227-A230 WeakPolarHBondContact OG1-CB 3.26Å; T227-A230 PolarHBondContact OG1-N 3.37Å; T227-A230 VanDerWaalsContact OG1-N 3.13Å; T227-C231 VanDerWaalsContact O-CB 3.3Å; T227-C231 WeakPolarHBondContact O-CB 3.33Å; T227-C231 PolarHBondContact O-N 2.94Å
228	N	90.6	Very high	88.7	Confident	53 Å²	53	61.6 Å²	61.6	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-52.7	-47	176.5	-176.1	6.5	0	0	0	111.2	A230 C231 R232 W243	N228-A230 PolarHBondContact O-N 3.32Å; N228-C231 WeakPolarHBondContact O-CB 3.36Å; N228-C231 PolarHBondContact O-N 3.44Å; N228-R232 PolarHBondContact ND2-NH2 3.37Å; N228-R232 WeakPolarHBondContact O-CG 3.13Å; N228-R232 PolarHBondContact O-N 3.42Å; N228-R232 PolarHBondContact OD1-NE 3.38Å; N228-W243 HydrophobicContact CB-CB 4.11Å; N228-W243 HydrophobicContact CB-CD2 3.97Å; N228-W243 HydrophobicContact CB-CG 3.66Å; N228-W243 VanDerWaalsContact OD1-CB 3.25Å; N228-W243 WeakPolarHBondContact OD1-CB 3.49Å
229	Q	90.7	Very high	88.5	Confident	123 Å²	123	58.8 Å²	58.8	58%	0.575	34%	0.335	S	S	*	.	H	α-helix	trans	-62.5	-46.8	179.2	-167.8	65.2	11.3	0	0	112.8	T227 C231 R232 N233	T227-Q229 VanDerWaalsContact C-N 3.27Å; T227-Q229 PolarHBondContact O-N 3.5Å; Q229-C231 VanDerWaalsContact C-N 3.27Å; Q229-C231 PolarHBondContact O-N 3.28Å; Q229-R232 PolarHBondContact O-N 3.18Å; Q229-N233 WeakPolarHBondContact O-CB 3.31Å; Q229-N233 PolarHBondContact O-N 2.82Å; Q229-N233 PolarHBondContact O-ND2 2.8Å
230	A	92.9	Very high	88.6	Confident	26 Å²	26	61.9 Å²	61.9	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-66	-33.7	179	0	0	0	0	0	111.7	H225 T227 N228 A234	H225-A230 HydrophobicContact CB-CB 4.09Å; H225-A230 PolarHBondContact ND1-O 2.9Å; T227-A230 PolarHBondContact O-N 2.93Å; T227-A230 WeakPolarHBondContact OG1-CB 3.26Å; T227-A230 PolarHBondContact OG1-N 3.37Å; T227-A230 VanDerWaalsContact OG1-N 3.13Å; N228-A230 PolarHBondContact O-N 3.32Å; A230-A234 WeakPolarHBondContact O-CB 3.41Å; A230-A234 PolarHBondContact O-N 2.69Å
231	C	92.9	Very high	88.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-51.7	175.9	178.9	0	0	0	0	111.2	H225 T227 N228 Q229 N233 A234 C241 I242 W243 C250	H225-C231 HydrophobicContact CB-CB 4.19Å; T227-C231 VanDerWaalsContact O-CB 3.3Å; T227-C231 WeakPolarHBondContact O-CB 3.33Å; T227-C231 PolarHBondContact O-N 2.94Å; N228-C231 WeakPolarHBondContact O-CB 3.36Å; N228-C231 PolarHBondContact O-N 3.44Å; Q229-C231 VanDerWaalsContact C-N 3.27Å; Q229-C231 PolarHBondContact O-N 3.28Å; C231-N233 VanDerWaalsContact C-N 3.32Å; C231-N233 PolarHBondContact O-N 3.49Å; C231-A234 VanDerWaalsContact O-CB 3.29Å; C231-A234 WeakPolarHBondContact O-CB 3.33Å; C231-A234 PolarHBondContact O-N 2.73Å; C231-A234 VanDerWaalsContact O-N 3.07Å; C231-C241 WeakPolarHBondContact O-CB 3.42Å; C231-I242 PolarHBondContact SG-O 2.84Å; C231-W243 HydrophobicContact CB-CB 4.49Å; C231-W243 HydrophobicContact CB-CE3 3.68Å; C231-W243 HydrophobicContact CB-CZ3 4.37Å; C231-C250 WeakPolarHBondContact CA-SG 3.22Å; C231-C250 HydrophobicContact CB-CB 3.53Å; C231-C250 WeakPolarHBondContact CB-SG 3.44Å; C231-C250 VanDerWaalsContact SG-CA 3.53Å; C231-C250 WeakPolarHBondContact SG-CB 3.48Å; C231-C250 CovalentContact SG-SG 2.01Å; C231-C250 PolarHBondContact SG-SG 2.91Å
232	R	88.8	Confident	89.1	Confident	74 Å²	74	57.4 Å²	57.4	28%	0.279	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-46.4	178.6	-69.9	-179.1	-174.4	-160.2	2.5	111.8	N228 Q229 A234 S235 E269	N228-R232 PolarHBondContact ND2-NH2 3.37Å; N228-R232 WeakPolarHBondContact O-CG 3.13Å; N228-R232 PolarHBondContact O-N 3.42Å; N228-R232 PolarHBondContact OD1-NE 3.38Å; Q229-R232 PolarHBondContact O-N 3.18Å; R232-A234 PolarHBondContact O-N 3.13Å; R232-S235 WeakPolarHBondContact O-CB 3.48Å; R232-S235 PolarHBondContact O-N 2.87Å; R232-S235 VanDerWaalsContact O-N 3.16Å; R232-S235 PolarHBondContact O-OG 3.47Å; R232-E269 IonicContact CZ-OE2 3.93Å; R232-E269 IonicContact NH1-OE2 2.75Å; R232-E269 PolarHBondContact NH1-OE2 3.48Å; R232-E269 IonicContact NH2-OE1 3.35Å; R232-E269 IonicContact NH2-OE2 2.7Å; R232-E269 PolarHBondContact NH2-OE2 2.99Å
233	N	92.1	Very high	89.2	Confident	117 Å²	117	58.7 Å²	58.7	63%	0.626	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.5	-180	-68.1	-6.6	0	0	0	113.7	Q229 C231 S235	Q229-N233 WeakPolarHBondContact O-CB 3.31Å; Q229-N233 PolarHBondContact O-N 2.82Å; Q229-N233 PolarHBondContact O-ND2 2.8Å; C231-N233 VanDerWaalsContact C-N 3.32Å; C231-N233 PolarHBondContact O-N 3.49Å; N233-S235 VanDerWaalsContact C-N 3.29Å
234	A	91.2	Very high	89.2	Confident	22 Å²	22	57.4 Å²	57.4	18%	0.182	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.3	176.7	0	0	0	0	0	113.4	H225 A230 C231 R232 T236	H225-A234 WeakPolarHBondContact CD2-CB 3.25Å; H225-A234 VanDerWaalsContact CE1-CB 3.49Å; H225-A234 WeakPolarHBondContact CE1-CB 3.36Å; H225-A234 WeakPolarHBondContact NE2-CB 3.27Å; A230-A234 WeakPolarHBondContact O-CB 3.41Å; A230-A234 PolarHBondContact O-N 2.69Å; C231-A234 VanDerWaalsContact O-CB 3.29Å; C231-A234 WeakPolarHBondContact O-CB 3.33Å; C231-A234 PolarHBondContact O-N 2.73Å; C231-A234 VanDerWaalsContact O-N 3.07Å; R232-A234 PolarHBondContact O-N 3.13Å; A234-T236 PolarHBondContact O-N 2.99Å
235	S	89.6	Confident	89.2	Confident	48 Å²	48	57.4 Å²	57.4	34%	0.336	34%	0.335	S	S	.	.			trans	-61.5	136.7	178.7	-55.6	0	0	0	0	110.7	R232 N233 T239 C241	R232-S235 WeakPolarHBondContact O-CB 3.48Å; R232-S235 PolarHBondContact O-N 2.87Å; R232-S235 VanDerWaalsContact O-N 3.16Å; R232-S235 PolarHBondContact O-OG 3.47Å; N233-S235 VanDerWaalsContact C-N 3.29Å; S235-T239 CarbonylContact C-O 3.46Å; S235-T239 VanDerWaalsContact CA-O 3.26Å; S235-T239 WeakPolarHBondContact CA-O 3.43Å; S235-C241 PolarHBondContact OG-N 3.18Å; S235-C241 PolarHBondContact OG-O 3.19Å
236	T	87.9	Confident	88.8	Confident	82 Å²	82	62.6 Å²	62.6	50%	0.503	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-116.3	178.3	176	68.8	0	0	0	0	109.9	A234 N238 T239	A234-T236 PolarHBondContact O-N 2.99Å; T236-N238 PolarHBondContact O-N 2.8Å; T236-N238 VanDerWaalsContact O-N 3.15Å; T236-N238 PolarHBondContact OG1-N 2.97Å; T236-T239 PolarHBondContact N-O 2.79Å; T236-T239 PolarHBondContact O-N 2.84Å; T236-T239 PolarHBondContact OG1-N 3.43Å
237	S	83.8	Confident	88.5	Confident	117 Å²	117	59.7 Å²	59.7	82%	0.818	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.1	174.7	60.4	0	0	0	0	113.7
238	N	81.7	Confident	88.4	Confident	144 Å²	144	60.5 Å²	60.5	77%	0.77	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-7	-173	-59.1	-6	0	0	0	112.6	T236	T236-N238 PolarHBondContact O-N 2.8Å; T236-N238 VanDerWaalsContact O-N 3.15Å; T236-N238 PolarHBondContact OG1-N 2.97Å
239	T	86.3	Confident	88.4	Confident	48 Å²	48	58.7 Å²	58.7	29%	0.294	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-145.9	114.7	-173	-53.5	0	0	0	0	109.1	S235 T236 T252	S235-T239 CarbonylContact C-O 3.46Å; S235-T239 VanDerWaalsContact CA-O 3.26Å; S235-T239 WeakPolarHBondContact CA-O 3.43Å; T236-T239 PolarHBondContact N-O 2.79Å; T236-T239 PolarHBondContact O-N 2.84Å; T236-T239 PolarHBondContact OG1-N 3.43Å; T239-T252 HydrophobicContact CG2-CG2 3.76Å
240	T	90	Very high	88.4	Confident	72 Å²	72	52.8 Å²	52.8	44%	0.442	31%	0.307	S	S	.	.			trans	-94.5	122.3	174.6	-58.1	0	0	0	0	108.7	I242 N253	T240-I242 HydrophobicContact CG2-CG2 4.46Å; T240-N253 HydrophobicContact CG2-CB 4.02Å; T240-N253 WeakPolarHBondContact O-CB 3.38Å; T240-N253 PolarHBondContact O-N 2.85Å
241	C	91	Very high	88.3	Confident	6 Å²	6	51.6 Å²	51.6	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.1	175.6	-59.9	0	0	0	0	110	C222 C231 S235 I251	C222-C241 VanDerWaalsContact CA-SG 3.57Å; C222-C241 HydrophobicContact CB-CB 3.75Å; C222-C241 WeakPolarHBondContact CB-SG 3.31Å; C222-C241 VanDerWaalsContact SG-CA 3.5Å; C222-C241 WeakPolarHBondContact SG-CB 3.36Å; C222-C241 CovalentContact SG-SG 2.03Å; C222-C241 PolarHBondContact SG-SG 3.23Å; C231-C241 WeakPolarHBondContact O-CB 3.42Å; S235-C241 PolarHBondContact OG-N 3.18Å; S235-C241 PolarHBondContact OG-O 3.19Å; C241-I251 WeakPolarHBondContact CA-O 3.38Å
242	I	91.1	Very high	88.1	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.036	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.8	177.9	56.5	171.4	0	0	0	110.9	C231 T240 C250 I251 N253 F261 C266 A268	C231-I242 PolarHBondContact SG-O 2.84Å; T240-I242 HydrophobicContact CG2-CG2 4.46Å; I242-C250 WeakPolarHBondContact O-CA 3.34Å; I242-I251 HydrophobicContact CD1-CD1 4.1Å; I242-I251 HydrophobicContact CD1-CG1 4.02Å; I242-I251 HydrophobicContact CG1-CD1 4.24Å; I242-I251 HydrophobicContact CG1-CG1 3.59Å; I242-I251 PolarHBondContact N-O 3.39Å; I242-I251 PolarHBondContact O-N 3.5Å; I242-N253 HydrophobicContact CD1-CB 4.01Å; I242-N253 WeakPolarHBondContact CD1-OD1 3.42Å; I242-N253 HydrophobicContact CG1-CB 4.04Å; I242-N253 HydrophobicContact CG2-CB 3.89Å; I242-F261 HydrophobicContact CD1-CB 4.47Å; I242-F261 HydrophobicContact CD1-CD2 3.92Å; I242-F261 HydrophobicContact CD1-CG 4.47Å; I242-C266 HydrophobicContact CD1-CB 4.02Å; I242-A268 HydrophobicContact CG2-CB 3.96Å
243	W	91.1	Very high	87.8	Confident	28 Å²	28	51 Å²	51	11%	0.106	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.6	178.2	-172.7	-101.8	0	0	0	110.6	N226 N228 C231 N248 C250	N226-W243 VanDerWaalsContact O-CH2 3.28Å; N226-W243 WeakPolarHBondContact O-CH2 3.36Å; N228-W243 HydrophobicContact CB-CB 4.11Å; N228-W243 HydrophobicContact CB-CD2 3.97Å; N228-W243 HydrophobicContact CB-CG 3.66Å; N228-W243 VanDerWaalsContact OD1-CB 3.25Å; N228-W243 WeakPolarHBondContact OD1-CB 3.49Å; C231-W243 HydrophobicContact CB-CB 4.49Å; C231-W243 HydrophobicContact CB-CE3 3.68Å; C231-W243 HydrophobicContact CB-CZ3 4.37Å; W243-N248 VanDerWaalsContact CZ2-OD1 3.23Å; W243-N248 WeakPolarHBondContact CZ2-OD1 3.23Å; W243-C250 HydrophobicContact CE3-CB 3.79Å; W243-C250 HydrophobicContact CZ3-CB 3.91Å
244	C	89.5	Confident	87.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.9	174.8	-60.1	0	0	0	0	109.7	F43 P247 N248 M249 I251 C266	F43-C244 HydrophobicContact CZ-CB 4.23Å; C244-P247 HydrophobicContact CB-CG 3.28Å; C244-P247 WeakPolarHBondContact O-CD 3.14Å; C244-N248 WeakPolarHBondContact O-CA 3.29Å; C244-N248 PolarHBondContact O-N 3.04Å; C244-N248 VanDerWaalsContact O-N 3.08Å; C244-M249 WeakPolarHBondContact CB-O 3.26Å; C244-M249 PolarHBondContact N-O 3.42Å; C244-M249 PolarHBondContact O-N 3.02Å; C244-M249 VanDerWaalsContact O-N 3.1Å; C244-I251 WeakPolarHBondContact SG-CD1 3.41Å; C244-I251 VanDerWaalsContact SG-CG1 3.53Å; C244-C266 HydrophobicContact CB-CB 3.99Å; C244-C266 WeakPolarHBondContact CB-SG 3.5Å; C244-C266 WeakPolarHBondContact SG-CB 3.43Å; C244-C266 CovalentContact SG-SG 2.02Å; C244-C266 PolarHBondContact SG-SG 3.3Å
245	G	84.3	Confident	86	Confident	45 Å²	45	51.9 Å²	51.9	46%	0.464	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-48.1	-174.6	0	0	0	0	0	112.6	N248 G265	G245-N248 PolarHBondContact O-N 3.49Å; G245-N248 VanDerWaalsContact O-N 3.15Å; G245-G265 PolarHBondContact N-O 3.02Å
246	K	81.8	Confident	85.2	Confident	149 Å²	149	56.9 Å²	56.9	65%	0.648	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-54.2	-179.5	-68.7	-174.8	-169.5	164.7	0	113.2	N248 N264	K246-N248 PolarHBondContact O-N 2.89Å; K246-N264 WeakPolarHBondContact CD-O 3.33Å
247	P	82.5	Confident	84.6	Confident	24 Å²	24	53 Å²	53	16%	0.156	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	1.8	177.9	36.1	-41	0	0	0	113.5	K40 I42 F43 C244 M249	K40-P247 PolarHBondContact NZ-O 3.49Å; I42-P247 HydrophobicContact CG2-CB 3.73Å; I42-P247 HydrophobicContact CG2-CG 3.62Å; F43-P247 HydrophobicContact CE1-CG 4.13Å; F43-P247 HydrophobicContact CZ-CG 3.97Å; C244-P247 HydrophobicContact CB-CG 3.28Å; C244-P247 WeakPolarHBondContact O-CD 3.14Å; P247-M249 PolarHBondContact O-N 2.87Å
248	N	87.2	Confident	84	Confident	85 Å²	85	49.7 Å²	49.7	46%	0.455	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	55.5	-177.1	-165.6	45.4	0	0	0	112.7	W243 C244 G245 K246	W243-N248 VanDerWaalsContact CZ2-OD1 3.23Å; W243-N248 WeakPolarHBondContact CZ2-OD1 3.23Å; C244-N248 WeakPolarHBondContact O-CA 3.29Å; C244-N248 PolarHBondContact O-N 3.04Å; C244-N248 VanDerWaalsContact O-N 3.08Å; G245-N248 PolarHBondContact O-N 3.49Å; G245-N248 VanDerWaalsContact O-N 3.15Å; K246-N248 PolarHBondContact O-N 2.89Å
249	M	89.3	Confident	83.8	Confident	15 Å²	15	49 Å²	49	7%	0.074	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	146	-168.6	177.7	164.7	163.8	0	0	112.8	K40 I42 H52 P223 C244 P247 I251	K40-M249 HydrophobicContact CD-SD 3.58Å; K40-M249 VanDerWaalsContact CD-SD 3.58Å; K40-M249 PolarHBondContact NZ-SD 3.23Å; I42-M249 HydrophobicContact CD1-CE 4.24Å; I42-M249 HydrophobicContact CD1-SD 4.27Å; H52-M249 HydrophobicContact CB-CE 4.45Å; H52-M249 VanDerWaalsContact CE1-CE 3.42Å; H52-M249 WeakPolarHBondContact CE1-CE 3.46Å; H52-M249 WeakPolarHBondContact ND1-CE 3.36Å; P223-M249 HydrophobicContact CB-CE 3.9Å; P223-M249 HydrophobicContact CG-CE 4.3Å; C244-M249 WeakPolarHBondContact CB-O 3.26Å; C244-M249 PolarHBondContact N-O 3.42Å; C244-M249 PolarHBondContact O-N 3.02Å; C244-M249 VanDerWaalsContact O-N 3.1Å; P247-M249 PolarHBondContact O-N 2.87Å; M249-I251 HydrophobicContact CE-CG2 4.33Å; M249-I251 HydrophobicContact CG-CG2 4.34Å
250	C	90.7	Very high	83.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.5	170.4	-169.9	0	0	0	0	110.9	C222 P223 H225 C231 I242 W243	C222-C250 WeakPolarHBondContact O-CB 3.24Å; C222-C250 PolarHBondContact O-SG 3.27Å; P223-C250 WeakPolarHBondContact CA-O 3.41Å; H225-C250 HydrophobicContact CB-CB 4.31Å; H225-C250 WeakPolarHBondContact O-CB 3.23Å; C231-C250 WeakPolarHBondContact CA-SG 3.22Å; C231-C250 HydrophobicContact CB-CB 3.53Å; C231-C250 WeakPolarHBondContact CB-SG 3.44Å; C231-C250 VanDerWaalsContact SG-CA 3.53Å; C231-C250 WeakPolarHBondContact SG-CB 3.48Å; C231-C250 CovalentContact SG-SG 2.01Å; C231-C250 PolarHBondContact SG-SG 2.91Å; I242-C250 WeakPolarHBondContact O-CA 3.34Å; W243-C250 HydrophobicContact CE3-CB 3.79Å; W243-C250 HydrophobicContact CZ3-CB 3.91Å
251	I	90.7	Very high	82.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	162.9	175.8	71.4	170.6	0	0	0	110	I42 Y50 C241 I242 C244 M249 F261	I42-I251 HydrophobicContact CD1-CG2 3.91Å; Y50-I251 HydrophobicContact CE1-CB 4.39Å; Y50-I251 HydrophobicContact CE1-CD1 3.81Å; Y50-I251 HydrophobicContact CE1-CG2 4.2Å; C241-I251 WeakPolarHBondContact CA-O 3.38Å; I242-I251 HydrophobicContact CD1-CD1 4.1Å; I242-I251 HydrophobicContact CD1-CG1 4.02Å; I242-I251 HydrophobicContact CG1-CD1 4.24Å; I242-I251 HydrophobicContact CG1-CG1 3.59Å; I242-I251 PolarHBondContact N-O 3.39Å; I242-I251 PolarHBondContact O-N 3.5Å; C244-I251 WeakPolarHBondContact SG-CD1 3.41Å; C244-I251 VanDerWaalsContact SG-CG1 3.53Å; M249-I251 HydrophobicContact CE-CG2 4.33Å; M249-I251 HydrophobicContact CG-CG2 4.34Å; I251-F261 HydrophobicContact CD1-CD1 4.29Å; I251-F261 HydrophobicContact CD1-CD2 4.33Å; I251-F261 HydrophobicContact CD1-CE1 4.12Å; I251-F261 HydrophobicContact CD1-CE2 4.17Å; I251-F261 HydrophobicContact CD1-CG 4.4Å; I251-F261 HydrophobicContact CD1-CZ 4.07Å
252	T	88.9	Confident	82.2	Confident	25 Å²	25	49.7 Å²	49.7	15%	0.153	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.3	169.9	-54.7	0	0	0	0	108.6	V219 C222 T239	V219-T252 PolarHBondContact O-OG1 2.99Å; C222-T252 PolarHBondContact SG-OG1 3.42Å; C222-T252 VanDerWaalsContact SG-OG1 3.38Å; T239-T252 HydrophobicContact CG2-CG2 3.76Å
253	N	83.9	Confident	81.6	Confident	36 Å²	36	55.6 Å²	55.6	19%	0.193	28%	0.283	C	S	.	.			trans	-68.6	142.1	174.6	-167.3	25.5	0	0	0	110	T240 I242	T240-N253 HydrophobicContact CG2-CB 4.02Å; T240-N253 WeakPolarHBondContact O-CB 3.38Å; T240-N253 PolarHBondContact O-N 2.85Å; I242-N253 HydrophobicContact CD1-CB 4.01Å; I242-N253 WeakPolarHBondContact CD1-OD1 3.42Å; I242-N253 HydrophobicContact CG1-CB 4.04Å; I242-N253 HydrophobicContact CG2-CB 3.89Å
254	N	76.1	Confident	80.9	Confident	23 Å²	23	56.2 Å²	56.2	12%	0.123	29%	0.289	C	S	.	.			trans	-125.4	117.6	170.6	-179	-16.6	0	0	0	107.2	E217 K256 D257 T258 F261	E217-N254 PolarHBondContact OE2-ND2 2.9Å; N254-K256 PolarHBondContact O-N 2.95Å; N254-K256 WeakPolarHBondContact OD1-CB 2.96Å; N254-K256 PolarHBondContact OD1-N 3.45Å; N254-D257 HydrophobicContact CB-CB 4.36Å; N254-D257 PolarHBondContact O-N 3.22Å; N254-T258 PolarHBondContact O-N 3.37Å; N254-F261 HydrophobicContact CB-CE2 4.13Å
255	D	69.1	Low	80.4	Confident	135 Å²	135	57.2 Å²	57.2	72%	0.722	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-53.3	-30.9	-176.8	-63.5	-23.3	0	0	0	112.4	D257 T258	D255-D257 VanDerWaalsContact C-N 3.33Å; D255-D257 PolarHBondContact O-N 2.89Å; D255-T258 PolarHBondContact O-OG1 3.27Å
256	K	72.5	Confident	80.3	Confident	153 Å²	153	55.1 Å²	55.1	67%	0.665	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-73.5	-21.9	179.2	-65.2	-173.2	176.6	-170	0	114.4	N254	N254-K256 PolarHBondContact O-N 2.95Å; N254-K256 WeakPolarHBondContact OD1-CB 2.96Å; N254-K256 PolarHBondContact OD1-N 3.45Å
257	D	74.2	Confident	79.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-108.5	9	-174.8	-68.6	-34.4	0	0	0	112.8	R61 N254 D255 H259 D260 F261	R61-D257 IonicContact CZ-OD1 3.56Å; R61-D257 IonicContact CZ-OD2 2.68Å; R61-D257 IonicContact NE-OD1 3.42Å; R61-D257 PolarHBondContact NE-OD1 3.18Å; R61-D257 IonicContact NH2-OD1 2.68Å; R61-D257 PolarHBondContact NH2-OD1 2.81Å; R61-D257 IonicContact NH2-OD2 3.81Å; R61-D257 PolarHBondContact NH2-OD2 2.79Å; N254-D257 HydrophobicContact CB-CB 4.36Å; N254-D257 PolarHBondContact O-N 3.22Å; D255-D257 VanDerWaalsContact C-N 3.33Å; D255-D257 PolarHBondContact O-N 2.89Å; D257-H259 VanDerWaalsContact C-N 3.28Å; D257-H259 PolarHBondContact O-N 2.91Å; D257-D260 PolarHBondContact O-N 3.19Å; D257-D260 VanDerWaalsContact O-N 3.08Å; D257-F261 HydrophobicContact CB-CD1 4.27Å; D257-F261 HydrophobicContact CB-CD2 3.92Å; D257-F261 HydrophobicContact CB-CE1 4Å; D257-F261 HydrophobicContact CB-CE2 3.62Å; D257-F261 HydrophobicContact CB-CG 4.24Å; D257-F261 HydrophobicContact CB-CZ 3.65Å; D257-F261 WeakPolarHBondContact O-CB 3.36Å; D257-F261 WeakPolarHBondContact O-CG 3.26Å; D257-F261 PolarHBondContact O-N 2.9Å
258	T	72.9	Confident	78.7	Confident	48 Å²	48	54.6 Å²	54.6	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-51.8	-46.6	-174	-51.3	0	0	0	0	112.1	N254 D255 F261 E262	N254-T258 PolarHBondContact O-N 3.37Å; D255-T258 PolarHBondContact O-OG1 3.27Å; T258-F261 PolarHBondContact O-N 2.99Å; T258-E262 HydrophobicContact CG2-CG 4.44Å; T258-E262 WeakPolarHBondContact O-CB 3.27Å; T258-E262 VanDerWaalsContact O-CG 3.24Å; T258-E262 WeakPolarHBondContact O-CG 3.27Å; T258-E262 PolarHBondContact O-N 3.29Å
259	H	76	Confident	77.1	Confident	130 Å²	130	56.6 Å²	56.6	60%	0.602	30%	0.295	S	S	*	.	H	α-helix	trans	-63.8	-46.7	178.7	-177.7	-76.1	0	0	0	112.5	D257 F261 E262 E263	D257-H259 VanDerWaalsContact C-N 3.28Å; D257-H259 PolarHBondContact O-N 2.91Å; H259-F261 VanDerWaalsContact C-N 3.28Å; H259-F261 PolarHBondContact O-N 3.39Å; H259-E262 PolarHBondContact O-N 3.47Å; H259-E263 IonicContact CE1-OE2 3.63Å; H259-E263 IonicContact ND1-OE2 2.75Å; H259-E263 WeakPolarHBondContact O-CB 3.09Å; H259-E263 PolarHBondContact O-N 2.92Å
260	D	77.9	Confident	74.7	Confident	42 Å²	42	61.9 Å²	61.9	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-37.4	179.6	-65.7	-41.3	0	0	0	110.9	Y48 D257 N264	Y48-D260 HydrophobicContact CD1-CB 4.3Å; Y48-D260 HydrophobicContact CD2-CB 4.06Å; Y48-D260 VanDerWaalsContact CD2-OD2 3.25Å; Y48-D260 WeakPolarHBondContact CD2-OD2 3.37Å; Y48-D260 HydrophobicContact CE1-CB 4.01Å; Y48-D260 HydrophobicContact CE2-CB 3.77Å; Y48-D260 VanDerWaalsContact CE2-OD2 3.23Å; Y48-D260 WeakPolarHBondContact CE2-OD2 3.37Å; Y48-D260 HydrophobicContact CG-CB 4.33Å; D257-D260 PolarHBondContact O-N 3.19Å; D257-D260 VanDerWaalsContact O-N 3.08Å; D260-N264 VanDerWaalsContact O-CB 3.26Å; D260-N264 WeakPolarHBondContact O-CB 3.42Å; D260-N264 PolarHBondContact O-N 3.2Å; D260-N264 PolarHBondContact O-ND2 2.86Å
261	F	79	Confident	71.8	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.009	37%	0.37	C	S	.	.	H	α-helix	trans	-67.7	-43.7	175.2	-70.9	-16.6	0	0	0	112.2	F43 Y48 Y50 I242 I251 N254 D257 T258 H259 N264 G265 C266	F43-F261 HydrophobicContact CE2-CD1 4.34Å; Y48-F261 WeakPolarHBondContact OH-CE1 3.49Å; Y50-F261 HydrophobicContact CD1-CE1 4.09Å; Y50-F261 AromaticContact CD2-CE1 3.96Å; Y50-F261 HydrophobicContact CD2-CE1 3.96Å; Y50-F261 HydrophobicContact CD2-CZ 4.16Å; Y50-F261 HydrophobicContact CE1-CE1 4.24Å; Y50-F261 HydrophobicContact CE1-CZ 4.41Å; Y50-F261 HydrophobicContact CE2-CE1 4.11Å; Y50-F261 AromaticContact CE2-CZ 3.88Å; Y50-F261 HydrophobicContact CE2-CZ 3.88Å; Y50-F261 AromaticContact CG-CE1 3.94Å; Y50-F261 HydrophobicContact CG-CE1 3.94Å; I242-F261 HydrophobicContact CD1-CB 4.47Å; I242-F261 HydrophobicContact CD1-CD2 3.92Å; I242-F261 HydrophobicContact CD1-CG 4.47Å; I251-F261 HydrophobicContact CD1-CD1 4.29Å; I251-F261 HydrophobicContact CD1-CD2 4.33Å; I251-F261 HydrophobicContact CD1-CE1 4.12Å; I251-F261 HydrophobicContact CD1-CE2 4.17Å; I251-F261 HydrophobicContact CD1-CG 4.4Å; I251-F261 HydrophobicContact CD1-CZ 4.07Å; N254-F261 HydrophobicContact CB-CE2 4.13Å; D257-F261 HydrophobicContact CB-CD1 4.27Å; D257-F261 HydrophobicContact CB-CD2 3.92Å; D257-F261 HydrophobicContact CB-CE1 4Å; D257-F261 HydrophobicContact CB-CE2 3.62Å; D257-F261 HydrophobicContact CB-CG 4.24Å; D257-F261 HydrophobicContact CB-CZ 3.65Å; D257-F261 WeakPolarHBondContact O-CB 3.36Å; D257-F261 WeakPolarHBondContact O-CG 3.26Å; D257-F261 PolarHBondContact O-N 2.9Å; T258-F261 PolarHBondContact O-N 2.99Å; H259-F261 VanDerWaalsContact C-N 3.28Å; H259-F261 PolarHBondContact O-N 3.39Å; F261-N264 CarbonylContact O-C 3.43Å; F261-N264 PolarHBondContact O-N 3.02Å; F261-G265 PolarHBondContact O-N 3.35Å; F261-G265 VanDerWaalsContact O-N 3.15Å; F261-C266 CarbonylContact C-O 3.49Å; F261-C266 HydrophobicContact CB-CB 3.93Å; F261-C266 WeakPolarHBondContact O-CA 3.26Å; F261-C266 WeakPolarHBondContact O-CB 3.45Å; F261-C266 PolarHBondContact O-N 3.23Å
262	E	77.6	Confident	68.8	Low	96 Å²	96	78.9 Å²	78.9	45%	0.449	41%	0.409	S	S	.	.	H	α-helix	trans	-61.8	-48.8	176.8	-75.8	176.5	179.9	0	0	111.8	T258 H259 N264 G265 C266 L267	T258-E262 HydrophobicContact CG2-CG 4.44Å; T258-E262 WeakPolarHBondContact O-CB 3.27Å; T258-E262 VanDerWaalsContact O-CG 3.24Å; T258-E262 WeakPolarHBondContact O-CG 3.27Å; T258-E262 PolarHBondContact O-N 3.29Å; H259-E262 PolarHBondContact O-N 3.47Å; E262-N264 PolarHBondContact O-N 3.39Å; E262-G265 PolarHBondContact O-N 3.19Å; E262-C266 WeakPolarHBondContact CA-O 3.09Å; E262-L267 HydrophobicContact CB-CD2 4.39Å; E262-L267 HydrophobicContact CG-CD2 4.16Å
263	E	78.8	Confident	65.8	Low	131 Å²	131	83.2 Å²	83.2	61%	0.612	44%	0.436	S	S	*	.	H	α-helix	trans	-57.4	-34	176.9	-173.4	176.7	173.3	0	0	111.6	H259 G265	H259-E263 IonicContact CE1-OE2 3.63Å; H259-E263 IonicContact ND1-OE2 2.75Å; H259-E263 WeakPolarHBondContact O-CB 3.09Å; H259-E263 PolarHBondContact O-N 2.92Å; E263-G265 VanDerWaalsContact C-N 3.33Å; E263-G265 PolarHBondContact O-N 3.41Å
264	N	76.1	Confident	63.1	Low	41 Å²	41	89 Å²	89	22%	0.219	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	9.2	179.2	-76.3	-66.5	0	0	0	114.5	F43 K246 D260 F261 E262	F43-N264 HydrophobicContact CB-CB 4.39Å; F43-N264 HydrophobicContact CD1-CB 3.4Å; F43-N264 HydrophobicContact CD2-CB 3.91Å; F43-N264 HydrophobicContact CE1-CB 3.51Å; F43-N264 VanDerWaalsContact CE1-O 3.27Å; F43-N264 WeakPolarHBondContact CE1-O 3.49Å; F43-N264 HydrophobicContact CE2-CB 4Å; F43-N264 HydrophobicContact CG-CB 3.61Å; F43-N264 HydrophobicContact CZ-CB 3.81Å; K246-N264 WeakPolarHBondContact CD-O 3.33Å; D260-N264 VanDerWaalsContact O-CB 3.26Å; D260-N264 WeakPolarHBondContact O-CB 3.42Å; D260-N264 PolarHBondContact O-N 3.2Å; D260-N264 PolarHBondContact O-ND2 2.86Å; F261-N264 CarbonylContact O-C 3.43Å; F261-N264 PolarHBondContact O-N 3.02Å; E262-N264 PolarHBondContact O-N 3.39Å
265	G	78.4	Confident	60.8	Low	22 Å²	22	94 Å²	94	23%	0.227	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	25.2	171.6	0	0	0	0	0	114.6	G245 F261 E262 E263	G245-G265 PolarHBondContact N-O 3.02Å; F261-G265 PolarHBondContact O-N 3.35Å; F261-G265 VanDerWaalsContact O-N 3.15Å; E262-G265 PolarHBondContact O-N 3.19Å; E263-G265 VanDerWaalsContact C-N 3.33Å; E263-G265 PolarHBondContact O-N 3.41Å
266	C	81.8	Confident	58.8	Low	1 Å²	1	93.4 Å²	93.4	1%	0.007	50%	0.499	C	S	.	.	B	Isolated β-bridge	trans	-95.8	102.8	160.7	-52.5	0	0	0	0	108.3	F43 I242 C244 F261 E262	F43-C266 WeakPolarHBondContact CE2-SG 3.31Å; F43-C266 WeakPolarHBondContact CZ-SG 3.49Å; I242-C266 HydrophobicContact CD1-CB 4.02Å; C244-C266 HydrophobicContact CB-CB 3.99Å; C244-C266 WeakPolarHBondContact CB-SG 3.5Å; C244-C266 WeakPolarHBondContact SG-CB 3.43Å; C244-C266 CovalentContact SG-SG 2.02Å; C244-C266 PolarHBondContact SG-SG 3.3Å; F261-C266 CarbonylContact C-O 3.49Å; F261-C266 HydrophobicContact CB-CB 3.93Å; F261-C266 WeakPolarHBondContact O-CA 3.26Å; F261-C266 WeakPolarHBondContact O-CB 3.45Å; F261-C266 PolarHBondContact O-N 3.23Å; E262-C266 WeakPolarHBondContact CA-O 3.09Å
267	L	71	Confident	56.8	Low	102 Å²	102	90.9 Å²	90.9	53%	0.534	50%	0.5	S	S	.	.			trans	-106.1	122.1	177.6	-66.1	171.5	0	0	0	109.1	E262 E269	E262-L267 HydrophobicContact CB-CD2 4.39Å; E262-L267 HydrophobicContact CG-CD2 4.16Å; L267-E269 PolarHBondContact O-N 3.49Å
268	A	60.5	Low	54.6	Low	60 Å²	60	98.8 Å²	98.8	50%	0.496	54%	0.537	S	S	.	.			trans	-75.6	97.7	153.9	0	0	0	0	0	106.1	I242 T270	I242-A268 HydrophobicContact CG2-CB 3.96Å; A268-T270 PolarHBondContact O-N 2.93Å
269	E	52.9	Low	52.4	Low	127 Å²	127	102.4 Å²	102.4	59%	0.593	56%	0.562	S	S	*	*			trans	-56.9	120.2	170.7	-79.5	171.7	-173.3	0	0	107.9	R232 L267 K271	R232-E269 IonicContact CZ-OE2 3.93Å; R232-E269 IonicContact NH1-OE2 2.75Å; R232-E269 PolarHBondContact NH1-OE2 3.48Å; R232-E269 IonicContact NH2-OE1 3.35Å; R232-E269 IonicContact NH2-OE2 2.7Å; R232-E269 PolarHBondContact NH2-OE2 2.99Å; L267-E269 PolarHBondContact O-N 3.49Å; E269-K271 PolarHBondContact O-N 3.47Å
270	T	39	Very low	50.1	Low	126 Å²	126	102.2 Å²	102.2	77%	0.773	57%	0.57	S	S	*	*			trans	-55.7	130.8	171.6	40.8	0	0	0	0	107.5	A268 D272	A268-T270 PolarHBondContact O-N 2.93Å; T270-D272 PolarHBondContact O-N 2.66Å
271	K	29.8	Very low	47.5	Very low	201 Å²	201	107.4 Å²	107.4	87%	0.874	60%	0.597	S	S	*	*			trans	-44	121.2	172.6	-72.3	178.6	177.2	177.5	0	108	E269 V273	E269-K271 PolarHBondContact O-N 3.47Å; K271-V273 PolarHBondContact O-N 2.91Å
272	D	27.9	Very low	45.1	Very low	155 Å²	155	113.8 Å²	113.8	83%	0.829	63%	0.63	S	S	*	*			trans	-39	102.1	-175.9	-65.4	-63.1	0	0	0	111.4	T270 N274	T270-D272 PolarHBondContact O-N 2.66Å; D272-N274 PolarHBondContact O-N 2.92Å
273	V	26.8	Very low	42.6	Very low	117 Å²	117	114.2 Å²	114.2	71%	0.709	64%	0.638	S	S	*	*			trans	-75.9	105	152.4	180	0	0	0	0	103.5	K271 I275	K271-V273 PolarHBondContact O-N 2.91Å; V273-I275 HydrophobicContact CG1-CD1 4.43Å; V273-I275 HydrophobicContact CG1-CG1 4.05Å; V273-I275 PolarHBondContact O-N 3.33Å
274	N	26.8	Very low	40.3	Very low	157 Å²	157	115.2 Å²	115.2	84%	0.84	65%	0.648	S	S	*	*			trans	-44.7	92.7	163.3	-91.9	-22.4	0	0	0	109.4	D272	D272-N274 PolarHBondContact O-N 2.92Å
275	I	28.1	Very low	38	Very low	127 Å²	127	119 Å²	119	65%	0.651	67%	0.673	S	S	*	*			trans	-114.5	91.3	155.3	-58.5	-178.9	0	0	0	104.4	V273 S277	V273-I275 HydrophobicContact CG1-CD1 4.43Å; V273-I275 HydrophobicContact CG1-CG1 4.05Å; V273-I275 PolarHBondContact O-N 3.33Å; I275-S277 VanDerWaalsContact C-N 3.27Å; I275-S277 PolarHBondContact O-N 2.91Å
276	S	26.8	Very low	35.5	Very low	124 Å²	124	127.3 Å²	127.3	87%	0.867	70%	0.703	S	S	*	*			trans	-54.6	97.4	155.8	169.2	0	0	0	0	107.6
277	S	29.9	Very low	32.9	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	74%	0.743	S	S	*	*			trans	-121.6	96.4	160	36.6	0	0	0	0	109.2	I275	I275-S277 VanDerWaalsContact C-N 3.27Å; I275-S277 PolarHBondContact O-N 2.91Å
278	E	28.5	Very low	30.7	Very low	166 Å²	166	135 Å²	135	78%	0.776	76%	0.755	S	S	*	*			trans	-27.4	136.9	154.9	-170.3	171.7	-177.6	0	0	113.5	T280	E278-T280 PolarHBondContact O-N 2.75Å
279	P	27.7	Very low	29.2	Very low	124 Å²	124	141.7 Å²	141.7	81%	0.805	78%	0.775	S	S	*	*			trans	-73.1	107.8	-176	29	-30.5	0	0	0	109.6	L281	P279-L281 PolarHBondContact O-N 3.38Å
280	T	26	Very low	27.9	Very low	125 Å²	125	138.4 Å²	138.4	77%	0.767	78%	0.775	S	S	*	*			trans	-75.8	108.6	171.3	-47.4	0	0	0	0	109.1	E278 I282	E278-T280 PolarHBondContact O-N 2.75Å; T280-I282 PolarHBondContact O-N 3.19Å; T280-I282 VanDerWaalsContact O-N 3.16Å
281	L	23.2	Very low	27.3	Very low	152 Å²	152	139.6 Å²	139.6	80%	0.796	78%	0.776	S	S	*	*			trans	-55.5	105.9	165.2	-118.4	140.9	0	0	0	109.5	P279 V283	P279-L281 PolarHBondContact O-N 3.38Å; L281-V283 HydrophobicContact CD2-CG2 3.69Å
282	I	29.6	Very low	27.2	Very low	136 Å²	136	137.6 Å²	137.6	70%	0.697	77%	0.774	S	S	*	*			trans	-102.1	96	160.4	-60.3	179.5	0	0	0	107.3	T280 N284	T280-I282 PolarHBondContact O-N 3.19Å; T280-I282 VanDerWaalsContact O-N 3.16Å; I282-N284 PolarHBondContact O-N 2.87Å
283	V	25.2	Very low	27.1	Very low	105 Å²	105	139.2 Å²	139.2	64%	0.636	78%	0.777	S	S	*	*			trans	-66.1	113.4	159.6	173.9	0	0	0	0	106.7	L281	L281-V283 HydrophobicContact CD2-CG2 3.69Å
284	N	31	Very low	27.2	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	78%	0.784	S	S	*	*			trans	-121.5	117.1	158.8	-90.2	-16	0	0	0	109.9	I282	I282-N284 PolarHBondContact O-N 2.87Å
285	T	27.4	Very low	27.3	Very low	122 Å²	122	141.3 Å²	141.3	75%	0.748	78%	0.775	S	S	*	*			trans	-66.9	134.4	-171.6	-30.6	0	0	0	0	111.4
286	K	25	Very low	27.3	Very low	195 Å²	195	140.9 Å²	140.9	85%	0.848	78%	0.784	S	S	*	*			trans	-70.2	132.2	168.1	-79.1	177.3	174.1	176.8	0	110.3
287	T	27.1	Very low	27.4	Very low	140 Å²	140	145.6 Å²	145.6	86%	0.859	78%	0.783	S	S	*	*			trans	-126.5	122.1	150.2	-54	0	0	0	0	108.8
288	T	25.2	Very low	27.5	Very low	126 Å²	126	147.8 Å²	147.8	77%	0.773	79%	0.786	S	S	*	*			trans	-75.8	137	-176.6	-57.6	0	0	0	0	112.1
289	Q	28.9	Very low	27.8	Very low	199 Å²	199	147.5 Å²	147.5	93%	0.93	79%	0.785	S	S	*	*			trans	-150.4	104.6	148.8	-143.5	174	-3.9	0	0	111.9
290	G	25	Very low	28	Very low	58 Å²	58	149.2 Å²	149.2	60%	0.598	79%	0.786	S	S	*	*			trans	68.7	115.3	130	0	0	0	0	0	122.7
291	I	27.5	Very low	28.3	Very low	152 Å²	152	151.8 Å²	151.8	78%	0.779	79%	0.787	S	S	*	*			trans	84.3	96.2	131.8	-54.2	170.3	0	0	0	116.9
292	N	28.3	Very low	29	Very low	158 Å²	158	149.9 Å²	149.9	85%	0.845	78%	0.777	S	S	*	*				173.6	141.3	93.5	-105.7	-21.1	0	0	0	112.3
293	E	25.7	Very low	29.2	Very low	190 Å²	190	147.9 Å²	147.9	89%	0.888	77%	0.771	S	S	*	*			trans	-73.6	117.3	-179.2	-170.7	172.6	-161.4	0	0	110.5
294	F	29.2	Very low	29.7	Very low	194 Å²	194	147.3 Å²	147.3	85%	0.851	77%	0.767	S	S	*	*			trans	-149.3	127.7	158.9	-151.8	-100.8	0	0	0	112.5
295	D	27.9	Very low	30	Very low	124 Å²	124	147 Å²	147	66%	0.663	76%	0.761	S	S	*	*			trans	-16.9	126.5	174.1	-146.6	-13.2	0	0	0	118.6	R297	D295-R297 PolarHBondContact OD1-N 2.03Å
296	S	28.1	Very low	30.3	Very low	118 Å²	118	145.6 Å²	145.6	83%	0.825	75%	0.749	S	S	*	*			trans	-140.7	63.2	164.7	-72.1	0	0	0	0	110
297	R	28.5	Very low	30.9	Very low	223 Å²	223	140.2 Å²	140.2	84%	0.842	73%	0.733	S	S	*	*			trans	-108.5	62.9	159.8	-167.3	-178.8	-73	176.5	-1.4	109.5	D295	D295-R297 PolarHBondContact OD1-N 2.03Å
298	N	33.4	Very low	31.3	Very low	145 Å²	145	139.9 Å²	139.9	78%	0.775	72%	0.722	S	S	*	*	S	Bend	trans	-154.8	3.8	165	-109.4	-5.2	0	0	0	117.1
299	E	34.9	Very low	31.7	Very low	160 Å²	160	136.7 Å²	136.7	75%	0.748	70%	0.704	S	S	*	*	S	Bend	trans	-93.4	-9.4	176.9	-77.6	-151.2	143	0	0	115.5	K301	E299-K301 VanDerWaalsContact C-N 3.29Å; E299-K301 PolarHBondContact O-N 2.96Å
300	L	31	Very low	32	Very low	160 Å²	160	132.7 Å²	132.7	84%	0.838	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	16.6	-176.2	-153.1	71.5	0	0	0	114.8
301	K	32.9	Very low	32.5	Very low	179 Å²	179	135.1 Å²	135.1	78%	0.778	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	-8.3	174.1	-100.5	-177.7	177.1	-179.1	0	114.8	E299	E299-K301 VanDerWaalsContact C-N 3.29Å; E299-K301 PolarHBondContact O-N 2.96Å
302	I	38	Very low	32.7	Very low	113 Å²	113	133.5 Å²	133.5	58%	0.579	68%	0.677	S	S	*	*	H	α-helix	trans	-89.2	-28.5	-179.8	-60.5	177.9	0	0	0	111.2	T304	I302-T304 PolarHBondContact O-N 2.8Å
303	T	33.6	Very low	33.1	Very low	94 Å²	94	129.6 Å²	129.6	58%	0.577	66%	0.659	S	S	*	*	H	α-helix	trans	-72.3	-28.4	-178.8	-37.3	0	0	0	0	113.2	T307	T303-T307 PolarHBondContact O-N 2.85Å; T303-T307 PolarHBondContact O-OG1 3.08Å
304	T	35.6	Very low	33.7	Very low	92 Å²	92	124.3 Å²	124.3	56%	0.564	64%	0.636	S	S	*	*	H	α-helix	trans	-76.5	-32	-178.3	-38.2	0	0	0	0	112.3	I302 T307 E308	I302-T304 PolarHBondContact O-N 2.8Å; T304-T307 PolarHBondContact O-N 3.2Å; T304-E308 PolarHBondContact O-N 3.29Å
305	Q	36.2	Very low	34.2	Very low	146 Å²	146	118.1 Å²	118.1	68%	0.682	61%	0.614	S	S	*	*	H	α-helix	trans	-76.8	-33.1	-178.5	-133.1	174.3	-0.3	0	0	112.8	S309	Q305-S309 PolarHBondContact O-N 3.39Å
306	N	35.4	Very low	34.7	Very low	91 Å²	91	113.7 Å²	113.7	49%	0.487	60%	0.598	S	S	.	*	H	α-helix	trans	-70.8	-33.5	172.7	-76.6	-11.8	0	0	0	111.9	E308 S309 H310	N306-E308 PolarHBondContact O-N 2.89Å; N306-S309 PolarHBondContact O-N 2.94Å; N306-S309 PolarHBondContact O-OG 2.8Å; N306-S309 VanDerWaalsContact O-OG 3.06Å; N306-H310 WeakPolarHBondContact O-CB 3.35Å; N306-H310 PolarHBondContact O-CD2 3.41Å; N306-H310 PolarHBondContact O-N 3.24Å
307	T	36.9	Very low	35.2	Very low	83 Å²	83	111.6 Å²	111.6	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-67.7	-37	-179.8	-47	0	0	0	0	111.7	T303 T304 L311	T303-T307 PolarHBondContact O-N 2.85Å; T303-T307 PolarHBondContact O-OG1 3.08Å; T304-T307 PolarHBondContact O-N 3.2Å; T307-L311 WeakPolarHBondContact O-CB 3.41Å; T307-L311 PolarHBondContact O-N 3.38Å
308	E	35.2	Very low	35.8	Very low	133 Å²	133	103.8 Å²	103.8	62%	0.621	55%	0.553	S	S	*	*	H	α-helix	trans	-71.3	-37.6	174.7	-80.1	-175.4	161.9	0	0	113.4	T304 N306 L311 N312	T304-E308 PolarHBondContact O-N 3.29Å; N306-E308 PolarHBondContact O-N 2.89Å; E308-L311 PolarHBondContact O-N 3.41Å; E308-N312 VanDerWaalsContact O-CG 3.32Å; E308-N312 PolarHBondContact O-N 3.15Å; E308-N312 PolarHBondContact O-ND2 3.38Å
309	S	34	Very low	36.2	Very low	58 Å²	58	103.5 Å²	103.5	41%	0.406	55%	0.545	S	S	.	.	H	α-helix	trans	-68.1	-37.3	176.8	75	0	0	0	0	111.9	Q305 N306 T313	Q305-S309 PolarHBondContact O-N 3.39Å; N306-S309 PolarHBondContact O-N 2.94Å; N306-S309 PolarHBondContact O-OG 2.8Å; N306-S309 VanDerWaalsContact O-OG 3.06Å; S309-T313 WeakPolarHBondContact O-CB 3.24Å; S309-T313 PolarHBondContact O-N 3.28Å; S309-T313 VanDerWaalsContact O-N 3.17Å; S309-T313 PolarHBondContact O-OG1 3.24Å
310	H	35.9	Very low	36.6	Very low	116 Å²	116	98.5 Å²	98.5	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-67	-41.3	172.4	-83.5	-78.9	0	0	0	111.8	N306 N312 T313 I314	N306-H310 WeakPolarHBondContact O-CB 3.35Å; N306-H310 PolarHBondContact O-CD2 3.41Å; N306-H310 PolarHBondContact O-N 3.24Å; H310-N312 PolarHBondContact O-N 2.81Å; H310-T313 PolarHBondContact O-N 3.17Å; H310-I314 WeakPolarHBondContact O-CB 3.26Å; H310-I314 WeakPolarHBondContact O-CD1 3.44Å; H310-I314 WeakPolarHBondContact O-CG1 3.42Å; H310-I314 PolarHBondContact O-N 3.49Å
311	L	33.9	Very low	37.1	Very low	108 Å²	108	91.6 Å²	91.6	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-62.9	-43.1	178.1	-141	88	0	0	0	112.1	T307 E308 T313 I314 T315	T307-L311 WeakPolarHBondContact O-CB 3.41Å; T307-L311 PolarHBondContact O-N 3.38Å; E308-L311 PolarHBondContact O-N 3.41Å; L311-T313 VanDerWaalsContact C-N 3.33Å; L311-T313 PolarHBondContact O-N 3.01Å; L311-I314 PolarHBondContact O-N 2.8Å; L311-T315 WeakPolarHBondContact O-CB 3.36Å; L311-T315 PolarHBondContact O-N 3.43Å; L311-T315 PolarHBondContact O-OG1 2.97Å
312	N	32.8	Very low	37.7	Very low	118 Å²	118	89.8 Å²	89.8	63%	0.631	48%	0.484	S	S	*	.	H	α-helix	trans	-65.8	-35.9	178.6	-72.1	-24.5	0	0	0	112.1	E308 H310 G316	E308-N312 VanDerWaalsContact O-CG 3.32Å; E308-N312 PolarHBondContact O-N 3.15Å; E308-N312 PolarHBondContact O-ND2 3.38Å; H310-N312 PolarHBondContact O-N 2.81Å; N312-G316 PolarHBondContact O-N 3.43Å; N312-G316 VanDerWaalsContact O-N 3.15Å
313	T	35.9	Very low	37.9	Very low	76 Å²	76	88.6 Å²	88.6	47%	0.466	48%	0.476	S	S	.	.	H	α-helix	trans	-72	-41.2	176.7	-54.6	0	0	0	0	111.8	S309 H310 L311 T315 G316 M317	S309-T313 WeakPolarHBondContact O-CB 3.24Å; S309-T313 PolarHBondContact O-N 3.28Å; S309-T313 VanDerWaalsContact O-N 3.17Å; S309-T313 PolarHBondContact O-OG1 3.24Å; H310-T313 PolarHBondContact O-N 3.17Å; L311-T313 VanDerWaalsContact C-N 3.33Å; L311-T313 PolarHBondContact O-N 3.01Å; T313-T315 VanDerWaalsContact C-N 3.35Å; T313-T315 PolarHBondContact O-N 3.32Å; T313-G316 PolarHBondContact O-N 3.04Å; T313-M317 HydrophobicContact CG2-CE 3.75Å; T313-M317 PolarHBondContact O-N 3.33Å
314	I	39.4	Very low	38.3	Very low	79 Å²	79	86 Å²	86	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-61.9	-43.2	175.8	-69.5	162.5	0	0	0	110.8	H310 L311 G316 M317 T318	H310-I314 WeakPolarHBondContact O-CB 3.26Å; H310-I314 WeakPolarHBondContact O-CD1 3.44Å; H310-I314 WeakPolarHBondContact O-CG1 3.42Å; H310-I314 PolarHBondContact O-N 3.49Å; L311-I314 PolarHBondContact O-N 2.8Å; I314-G316 VanDerWaalsContact C-N 3.3Å; I314-G316 PolarHBondContact O-N 3.1Å; I314-M317 PolarHBondContact O-N 3.41Å; I314-T318 PolarHBondContact O-N 2.86Å; I314-T318 PolarHBondContact O-OG1 3.44Å
315	T	38	Very low	38.7	Very low	64 Å²	64	87.5 Å²	87.5	39%	0.393	46%	0.455	S	S	.	.	H	α-helix	trans	-65.5	-33.9	177.9	-48.8	0	0	0	0	111.8	L311 T313 T318 K319	L311-T315 WeakPolarHBondContact O-CB 3.36Å; L311-T315 PolarHBondContact O-N 3.43Å; L311-T315 PolarHBondContact O-OG1 2.97Å; T313-T315 VanDerWaalsContact C-N 3.35Å; T313-T315 PolarHBondContact O-N 3.32Å; T315-T318 WeakPolarHBondContact CA-OG1 3.27Å; T315-T318 PolarHBondContact O-OG1 3.34Å; T315-K319 WeakPolarHBondContact O-CG 3.48Å; T315-K319 PolarHBondContact O-N 2.98Å
316	G	38.5	Very low	39.1	Very low	31 Å²	31	83.2 Å²	83.2	32%	0.32	44%	0.441	S	S	.	.	H	α-helix	trans	-68.2	-42.5	174.3	0	0	0	0	0	113.2	N312 T313 I314 I320	N312-G316 PolarHBondContact O-N 3.43Å; N312-G316 VanDerWaalsContact O-N 3.15Å; T313-G316 PolarHBondContact O-N 3.04Å; I314-G316 VanDerWaalsContact C-N 3.3Å; I314-G316 PolarHBondContact O-N 3.1Å; G316-I320 VanDerWaalsContact O-CG1 3.31Å; G316-I320 WeakPolarHBondContact O-CG1 3.39Å; G316-I320 PolarHBondContact O-N 3.31Å; G316-I320 VanDerWaalsContact O-N 3.17Å
317	M	38.7	Very low	39.9	Very low	74 Å²	74	81.3 Å²	81.3	37%	0.365	43%	0.429	S	S	.	.	H	α-helix	trans	-74.8	-36.2	-178.9	-70	-172.9	-170.1	0	0	113.4	K40 T313 I314 K319 I320 G321	K40-M317 HydrophobicContact CD-CE 3.6Å; K40-M317 HydrophobicContact CD-SD 4.32Å; K40-M317 HydrophobicContact CG-CE 4.4Å; K40-M317 VanDerWaalsContact NZ-CE 3.28Å; K40-M317 PolarHBondContact NZ-SD 3.36Å; T313-M317 HydrophobicContact CG2-CE 3.75Å; T313-M317 PolarHBondContact O-N 3.33Å; I314-M317 PolarHBondContact O-N 3.41Å; M317-K319 VanDerWaalsContact C-N 3.34Å; M317-I320 PolarHBondContact O-N 2.93Å; M317-G321 PolarHBondContact O-N 3.01Å
318	T	41.7	Very low	40.4	Very low	59 Å²	59	83.2 Å²	83.2	36%	0.362	43%	0.43	S	S	.	.	H	α-helix	trans	-60.5	-45.3	172.5	27	0	0	0	0	110.7	I314 T315 I320 G321 E322	I314-T318 PolarHBondContact O-N 2.86Å; I314-T318 PolarHBondContact O-OG1 3.44Å; T315-T318 WeakPolarHBondContact CA-OG1 3.27Å; T315-T318 PolarHBondContact O-OG1 3.34Å; T318-I320 VanDerWaalsContact C-N 3.34Å; T318-I320 PolarHBondContact O-N 3.14Å; T318-G321 PolarHBondContact O-N 3.27Å; T318-E322 WeakPolarHBondContact O-CB 3.19Å; T318-E322 PolarHBondContact O-N 3.04Å
319	K	42.1	Very low	41.2	Very low	139 Å²	139	80 Å²	80	60%	0.604	42%	0.422	S	S	*	.	H	α-helix	trans	-59.8	-40.4	175	-76.7	-178.4	177.6	179.3	0	113.2	T315 M317 Q323	T315-K319 WeakPolarHBondContact O-CG 3.48Å; T315-K319 PolarHBondContact O-N 2.98Å; M317-K319 VanDerWaalsContact C-N 3.34Å; K319-Q323 VanDerWaalsContact O-CB 3.27Å; K319-Q323 WeakPolarHBondContact O-CB 3.33Å; K319-Q323 WeakPolarHBondContact O-CG 3.48Å; K319-Q323 PolarHBondContact O-N 2.91Å
320	I	42.2	Very low	42.2	Very low	56 Å²	56	81 Å²	81	29%	0.287	42%	0.423	S	S	.	.	H	α-helix	trans	-69.8	-42.3	178.8	-66.4	164.6	0	0	0	111.2	G316 M317 T318 R324	G316-I320 VanDerWaalsContact O-CG1 3.31Å; G316-I320 WeakPolarHBondContact O-CG1 3.39Å; G316-I320 PolarHBondContact O-N 3.31Å; G316-I320 VanDerWaalsContact O-N 3.17Å; M317-I320 PolarHBondContact O-N 2.93Å; T318-I320 VanDerWaalsContact C-N 3.34Å; T318-I320 PolarHBondContact O-N 3.14Å; I320-R324 WeakPolarHBondContact O-CG 3.4Å; I320-R324 PolarHBondContact O-N 3.41Å
321	G	41.5	Very low	43.1	Very low	15 Å²	15	77 Å²	77	16%	0.155	41%	0.407	C	S	.	.	H	α-helix	trans	-67.9	-42.1	178.9	0	0	0	0	0	113.7	M317 T318 R324 K325	M317-G321 PolarHBondContact O-N 3.01Å; T318-G321 PolarHBondContact O-N 3.27Å; G321-R324 PolarHBondContact O-N 3.1Å; G321-K325 PolarHBondContact O-N 3.15Å
322	E	45.6	Very low	44.4	Very low	140 Å²	140	76.2 Å²	76.2	65%	0.654	40%	0.403	S	S	*	.	H	α-helix	trans	-67.4	-41	174.2	-104	176.4	160.1	0	0	112.1	T318 R324 K325 S326	T318-E322 WeakPolarHBondContact O-CB 3.19Å; T318-E322 PolarHBondContact O-N 3.04Å; E322-R324 VanDerWaalsContact C-N 3.32Å; E322-R324 PolarHBondContact O-N 3.33Å; E322-K325 PolarHBondContact O-N 3.08Å; E322-S326 WeakPolarHBondContact O-CB 3.22Å; E322-S326 PolarHBondContact O-N 3.43Å; E322-S326 VanDerWaalsContact O-N 3.1Å
323	Q	42.1	Very low	45.9	Very low	89 Å²	89	74 Å²	74	42%	0.416	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-42.9	171.7	-84.8	-165.1	-27.5	0	0	111.3	K319 K325 S326 H327	K319-Q323 VanDerWaalsContact O-CB 3.27Å; K319-Q323 WeakPolarHBondContact O-CB 3.33Å; K319-Q323 WeakPolarHBondContact O-CG 3.48Å; K319-Q323 PolarHBondContact O-N 2.91Å; Q323-K325 PolarHBondContact O-N 3.06Å; Q323-S326 PolarHBondContact O-N 2.01Å; Q323-H327 VanDerWaalsContact O-CB 3.23Å; Q323-H327 WeakPolarHBondContact O-CB 3.49Å; Q323-H327 PolarHBondContact O-CD2 2.02Å; Q323-H327 PolarHBondContact O-N 3.14Å
324	R	42	Very low	47.5	Very low	39 Å²	39	74.7 Å²	74.7	15%	0.147	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-43.8	179.5	-83.3	-173.4	176.5	147.9	7.1	113.6	E28 I320 G321 E322 K328	E28-R324 VanDerWaalsContact OE2-CD 3.26Å; E28-R324 WeakPolarHBondContact OE2-CD 3.2Å; E28-R324 WeakPolarHBondContact OE2-CG 3.27Å; E28-R324 IonicContact OE2-CZ 3.2Å; E28-R324 IonicContact OE2-NE 2.76Å; E28-R324 PolarHBondContact OE2-NE 2.93Å; I320-R324 WeakPolarHBondContact O-CG 3.4Å; I320-R324 PolarHBondContact O-N 3.41Å; G321-R324 PolarHBondContact O-N 3.1Å; E322-R324 VanDerWaalsContact C-N 3.32Å; E322-R324 PolarHBondContact O-N 3.33Å; R324-K328 PolarHBondContact O-N 2.84Å
325	K	43.8	Very low	48.6	Very low	123 Å²	123	72 Å²	72	54%	0.535	38%	0.381	S	S	.	.	H	α-helix	trans	-72.1	-43.8	179.7	-79.8	-176.4	178.9	177.2	0	113	G321 E322 Q323 H327	G321-K325 PolarHBondContact O-N 3.15Å; E322-K325 PolarHBondContact O-N 3.08Å; Q323-K325 PolarHBondContact O-N 3.06Å; K325-H327 VanDerWaalsContact C-N 3.3Å; K325-H327 PolarHBondContact O-N 3.3Å
326	S	46.6	Very low	50.2	Low	56 Å²	56	73.6 Å²	73.6	39%	0.392	39%	0.386	S	S	.	.	H	α-helix	trans	-62.4	-37.1	178.5	160.4	0	0	0	0	112.1	E322 Q323 S329 L330	E322-S326 WeakPolarHBondContact O-CB 3.22Å; E322-S326 PolarHBondContact O-N 3.43Å; E322-S326 VanDerWaalsContact O-N 3.1Å; Q323-S326 PolarHBondContact O-N 2.01Å; S326-S329 PolarHBondContact O-OG 3.03Å; S326-L330 PolarHBondContact O-N 2.94Å
327	H	50.4	Low	51.9	Low	51 Å²	51	76.6 Å²	76.6	24%	0.236	39%	0.394	C	S	.	.	H	α-helix	trans	-82.7	-30.6	-170	-70.9	-126.3	0	0	0	112.9	I31 Q323 K325 S329 L330 C331	I31-H327 HydrophobicContact CD1-CB 4Å; I31-H327 HydrophobicContact CG2-CB 4.33Å; I31-H327 WeakPolarHBondContact CG2-ND1 3.38Å; Q323-H327 VanDerWaalsContact O-CB 3.23Å; Q323-H327 WeakPolarHBondContact O-CB 3.49Å; Q323-H327 PolarHBondContact O-CD2 2.02Å; Q323-H327 PolarHBondContact O-N 3.14Å; K325-H327 VanDerWaalsContact C-N 3.3Å; K325-H327 PolarHBondContact O-N 3.3Å; H327-S329 VanDerWaalsContact C-N 3.32Å; H327-S329 PolarHBondContact O-N 2.86Å; H327-L330 PolarHBondContact O-N 3.15Å; H327-C331 PolarHBondContact O-N 3.47Å
328	K	47.8	Very low	53.7	Low	124 Å²	124	76.9 Å²	76.9	54%	0.539	40%	0.4	S	S	.	.	H	α-helix	trans	-65.9	-34.9	174.4	-153.7	178.9	-173	-174	0	111.8	R324	R324-K328 PolarHBondContact O-N 2.84Å
329	S	52.4	Low	55.2	Low	64 Å²	64	75.5 Å²	75.5	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-71.3	-40.4	173.6	63.8	0	0	0	0	111.7	S326 H327 C331 I332 V333	S326-S329 PolarHBondContact O-OG 3.03Å; H327-S329 VanDerWaalsContact C-N 3.32Å; H327-S329 PolarHBondContact O-N 2.86Å; S329-C331 VanDerWaalsContact C-N 3.35Å; S329-C331 PolarHBondContact O-N 3.18Å; S329-I332 PolarHBondContact O-N 3.24Å; S329-V333 VanDerWaalsContact O-CB 3.29Å; S329-V333 WeakPolarHBondContact O-CB 2.96Å; S329-V333 WeakPolarHBondContact O-CG2 3.47Å; S329-V333 PolarHBondContact O-N 3.47Å
330	L	54.9	Low	56.9	Low	80 Å²	80	75.4 Å²	75.4	42%	0.419	39%	0.389	S	S	.	.	H	α-helix	trans	-59.4	-40.9	175.4	-98.7	147.6	0	0	0	113.1	S326 H327 I332 V333 I334	S326-L330 PolarHBondContact O-N 2.94Å; H327-L330 PolarHBondContact O-N 3.15Å; L330-I332 VanDerWaalsContact C-N 3.26Å; L330-I332 PolarHBondContact O-N 3.16Å; L330-V333 PolarHBondContact O-N 3.19Å; L330-I334 HydrophobicContact CD2-CD1 3.56Å; L330-I334 HydrophobicContact CD2-CG1 4.02Å; L330-I334 WeakPolarHBondContact O-CB 3.49Å; L330-I334 WeakPolarHBondContact O-CG1 3.3Å; L330-I334 PolarHBondContact O-N 3.19Å
331	C	54.6	Low	58.7	Low	32 Å²	32	76.2 Å²	76.2	22%	0.216	40%	0.397	C	S	.	.	H	α-helix	trans	-65.4	-26.5	177.3	-80.8	0	0	0	0	114.3	C26 I31 H327 S329 P335	C26-C331 HydrophobicContact CB-CB 3.98Å; C26-C331 VanDerWaalsContact CB-SG 3.54Å; C26-C331 VanDerWaalsContact SG-SG 3.61Å; I31-C331 WeakPolarHBondContact CD1-SG 2.98Å; H327-C331 PolarHBondContact O-N 3.47Å; S329-C331 VanDerWaalsContact C-N 3.35Å; S329-C331 PolarHBondContact O-N 3.18Å; C331-P335 WeakPolarHBondContact O-CD 3.46Å; C331-P335 WeakPolarHBondContact O-CG 3.36Å
332	I	61.7	Low	60.7	Low	91 Å²	91	79.6 Å²	79.6	47%	0.467	41%	0.414	S	S	.	.	H	α-helix	trans	-89.1	-38.3	176	-62.6	170	0	0	0	110.6	S329 L330 P335 I336	S329-I332 PolarHBondContact O-N 3.24Å; L330-I332 VanDerWaalsContact C-N 3.26Å; L330-I332 PolarHBondContact O-N 3.16Å; I332-P335 WeakPolarHBondContact O-CD 3.02Å; I332-I336 HydrophobicContact CG2-CD1 3.81Å; I332-I336 WeakPolarHBondContact O-CD1 3.33Å; I332-I336 VanDerWaalsContact O-CG1 3.24Å; I332-I336 WeakPolarHBondContact O-CG1 3.05Å; I332-I336 PolarHBondContact O-N 3.02Å
333	V	64.5	Low	62.5	Low	71 Å²	71	75.7 Å²	75.7	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-74.5	-40.5	-173.4	171.1	0	0	0	0	112.3	S329 L330 I336 I337	S329-V333 VanDerWaalsContact O-CB 3.29Å; S329-V333 WeakPolarHBondContact O-CB 2.96Å; S329-V333 WeakPolarHBondContact O-CG2 3.47Å; S329-V333 PolarHBondContact O-N 3.47Å; L330-V333 PolarHBondContact O-N 3.19Å; V333-I336 PolarHBondContact O-N 3.38Å; V333-I337 HydrophobicContact CG1-CD1 3.64Å; V333-I337 HydrophobicContact CG1-CG1 4.26Å; V333-I337 WeakPolarHBondContact O-CG1 3.17Å; V333-I337 PolarHBondContact O-N 3.48Å
334	I	68	Low	64.4	Low	91 Å²	91	73.9 Å²	73.9	47%	0.467	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-48.8	-179.6	-68.4	168.6	0	0	0	111.7	L330 I336 I337 V338	L330-I334 HydrophobicContact CD2-CD1 3.56Å; L330-I334 HydrophobicContact CD2-CG1 4.02Å; L330-I334 WeakPolarHBondContact O-CB 3.49Å; L330-I334 WeakPolarHBondContact O-CG1 3.3Å; L330-I334 PolarHBondContact O-N 3.19Å; I334-I336 VanDerWaalsContact C-N 3.32Å; I334-I336 PolarHBondContact O-N 3.3Å; I334-I337 PolarHBondContact O-N 3.04Å; I334-V338 HydrophobicContact CG2-CG2 4.3Å; I334-V338 WeakPolarHBondContact O-CG2 3.46Å; I334-V338 PolarHBondContact O-N 3.4Å
335	P	64.2	Low	66.4	Low	22 Å²	22	76.7 Å²	76.7	14%	0.143	41%	0.411	C	S	.	.	H	α-helix	trans	-61.4	-37.9	176.8	-23.7	33	0	0	0	113.3	C331 I332 I337 V338 M339	C331-P335 WeakPolarHBondContact O-CD 3.46Å; C331-P335 WeakPolarHBondContact O-CG 3.36Å; I332-P335 WeakPolarHBondContact O-CD 3.02Å; P335-I337 VanDerWaalsContact C-N 3.33Å; P335-I337 PolarHBondContact O-N 3.07Å; P335-V338 PolarHBondContact O-N 3.48Å; P335-M339 VanDerWaalsContact O-CB 3.28Å; P335-M339 WeakPolarHBondContact O-CB 3.29Å; P335-M339 WeakPolarHBondContact O-CG 3.42Å; P335-M339 PolarHBondContact O-N 3.33Å
336	I	71.4	Confident	68.4	Low	98 Å²	98	73 Å²	73	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-43.7	176.3	-68.5	169.6	0	0	0	110.3	I332 V333 I334 M339 F340	I332-I336 HydrophobicContact CG2-CD1 3.81Å; I332-I336 WeakPolarHBondContact O-CD1 3.33Å; I332-I336 VanDerWaalsContact O-CG1 3.24Å; I332-I336 WeakPolarHBondContact O-CG1 3.05Å; I332-I336 PolarHBondContact O-N 3.02Å; V333-I336 PolarHBondContact O-N 3.38Å; I334-I336 VanDerWaalsContact C-N 3.32Å; I334-I336 PolarHBondContact O-N 3.3Å; I336-M339 PolarHBondContact O-N 3.23Å; I336-F340 WeakPolarHBondContact O-CB 3.47Å; I336-F340 PolarHBondContact O-N 3.15Å
337	I	74.3	Confident	70.3	Confident	95 Å²	95	74.4 Å²	74.4	49%	0.487	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-47.2	177.5	-67.3	169.4	0	0	0	110.7	V333 I334 P335 M339 F340 V341	V333-I337 HydrophobicContact CG1-CD1 3.64Å; V333-I337 HydrophobicContact CG1-CG1 4.26Å; V333-I337 WeakPolarHBondContact O-CG1 3.17Å; V333-I337 PolarHBondContact O-N 3.48Å; I334-I337 PolarHBondContact O-N 3.04Å; P335-I337 VanDerWaalsContact C-N 3.33Å; P335-I337 PolarHBondContact O-N 3.07Å; I337-M339 VanDerWaalsContact C-N 3.31Å; I337-M339 PolarHBondContact O-N 2.68Å; I337-F340 WeakPolarHBondContact O-CB 3.5Å; I337-F340 PolarHBondContact O-N 2.75Å; I337-V341 HydrophobicContact CG2-CG2 4.47Å; I337-V341 WeakPolarHBondContact O-CG2 3.37Å; I337-V341 PolarHBondContact O-N 2.98Å
338	V	75.3	Confident	72.1	Confident	80 Å²	80	76.6 Å²	76.6	49%	0.485	43%	0.43	S	S	.	.	H	α-helix	trans	-60.6	-43.5	178.7	173.7	0	0	0	0	110.6	I334 P335 F340 V341 V342	I334-V338 HydrophobicContact CG2-CG2 4.3Å; I334-V338 WeakPolarHBondContact O-CG2 3.46Å; I334-V338 PolarHBondContact O-N 3.4Å; P335-V338 PolarHBondContact O-N 3.48Å; V338-F340 PolarHBondContact O-N 3.3Å; V338-V341 PolarHBondContact O-N 3.36Å; V338-V342 WeakPolarHBondContact O-CG2 3.37Å; V338-V342 PolarHBondContact O-N 2.92Å
339	M	74.6	Confident	73.9	Confident	29 Å²	29	74.3 Å²	74.3	14%	0.143	43%	0.426	C	S	.	.	H	α-helix	trans	-61	-44.3	174.9	-82.5	-63.4	-74.7	0	0	112.3	I16 I17 I20 P335 I336 I337 V341 V342 I343	I16-M339 HydrophobicContact CG2-CE 4.15Å; I17-M339 HydrophobicContact CG1-CE 3.65Å; I20-M339 HydrophobicContact CD1-CE 3.99Å; I20-M339 HydrophobicContact CD1-CG 4.19Å; I20-M339 HydrophobicContact CD1-SD 3.31Å; I20-M339 WeakPolarHBondContact CD1-SD 2.98Å; P335-M339 VanDerWaalsContact O-CB 3.28Å; P335-M339 WeakPolarHBondContact O-CB 3.29Å; P335-M339 WeakPolarHBondContact O-CG 3.42Å; P335-M339 PolarHBondContact O-N 3.33Å; I336-M339 PolarHBondContact O-N 3.23Å; I337-M339 VanDerWaalsContact C-N 3.31Å; I337-M339 PolarHBondContact O-N 2.68Å; M339-V341 VanDerWaalsContact C-N 3.32Å; M339-V341 PolarHBondContact O-N 3.43Å; M339-V342 PolarHBondContact O-N 3.46Å; M339-I343 WeakPolarHBondContact O-CB 3.49Å; M339-I343 VanDerWaalsContact O-CG1 3.24Å; M339-I343 WeakPolarHBondContact O-CG1 3.19Å; M339-I343 PolarHBondContact O-N 3.31Å
340	F	77.6	Confident	75.4	Confident	137 Å²	137	73 Å²	73	60%	0.601	42%	0.424	S	S	*	.	H	α-helix	trans	-60.2	-43.9	176.8	-167.1	-95.5	0	0	0	111.2	I336 I337 V338 I343 C344	I336-F340 WeakPolarHBondContact O-CB 3.47Å; I336-F340 PolarHBondContact O-N 3.15Å; I337-F340 WeakPolarHBondContact O-CB 3.5Å; I337-F340 PolarHBondContact O-N 2.75Å; V338-F340 PolarHBondContact O-N 3.3Å; F340-I343 PolarHBondContact O-N 3.17Å; F340-C344 VanDerWaalsContact CE1-SG 3.51Å; F340-C344 WeakPolarHBondContact O-CB 3.43Å; F340-C344 PolarHBondContact O-N 3.01Å; F340-C344 PolarHBondContact O-SG 3.13Å
341	V	80.4	Confident	76.7	Confident	74 Å²	74	73.8 Å²	73.8	45%	0.448	43%	0.428	S	S	.	.	H	α-helix	trans	-62.2	-46.3	176.7	172.2	0	0	0	0	111.5	I337 V338 M339 I343 C344 I345	I337-V341 HydrophobicContact CG2-CG2 4.47Å; I337-V341 WeakPolarHBondContact O-CG2 3.37Å; I337-V341 PolarHBondContact O-N 2.98Å; V338-V341 PolarHBondContact O-N 3.36Å; M339-V341 VanDerWaalsContact C-N 3.32Å; M339-V341 PolarHBondContact O-N 3.43Å; V341-I343 VanDerWaalsContact C-N 3.34Å; V341-I343 PolarHBondContact O-N 2.99Å; V341-C344 PolarHBondContact O-N 3.39Å; V341-I345 HydrophobicContact CG1-CD1 3.75Å; V341-I345 HydrophobicContact CG1-CG1 4.41Å; V341-I345 VanDerWaalsContact O-CG1 3.26Å; V341-I345 WeakPolarHBondContact O-CG1 3.34Å; V341-I345 PolarHBondContact O-N 3Å
342	V	82	Confident	78.1	Confident	86 Å²	86	79.5 Å²	79.5	52%	0.521	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-42.3	178.1	172.7	0	0	0	0	111.3	V338 M339 I345 G346	V338-V342 WeakPolarHBondContact O-CG2 3.37Å; V338-V342 PolarHBondContact O-N 2.92Å; M339-V342 PolarHBondContact O-N 3.46Å; V342-I345 PolarHBondContact O-N 3.06Å; V342-G346 PolarHBondContact O-N 2.87Å
343	I	83.3	Confident	79	Confident	57 Å²	57	79.6 Å²	79.6	29%	0.292	45%	0.446	S	S	.	.	H	α-helix	trans	-62	-47.7	175.6	-69.7	167.9	0	0	0	110.6	F13 M339 F340 V341 I345 G346 V347	F13-I343 HydrophobicContact CD1-CD1 3.98Å; F13-I343 HydrophobicContact CD1-CG1 4.27Å; F13-I343 HydrophobicContact CE1-CD1 3.62Å; F13-I343 HydrophobicContact CE1-CG1 3.4Å; F13-I343 VanDerWaalsContact CE1-CG1 3.4Å; F13-I343 HydrophobicContact CZ-CD1 4.47Å; F13-I343 HydrophobicContact CZ-CG1 3.93Å; M339-I343 WeakPolarHBondContact O-CB 3.49Å; M339-I343 VanDerWaalsContact O-CG1 3.24Å; M339-I343 WeakPolarHBondContact O-CG1 3.19Å; M339-I343 PolarHBondContact O-N 3.31Å; F340-I343 PolarHBondContact O-N 3.17Å; V341-I343 VanDerWaalsContact C-N 3.34Å; V341-I343 PolarHBondContact O-N 2.99Å; I343-I345 VanDerWaalsContact C-N 3.33Å; I343-I345 PolarHBondContact O-N 3.48Å; I343-G346 PolarHBondContact O-N 3.25Å; I343-V347 HydrophobicContact CG2-CG2 4.43Å; I343-V347 WeakPolarHBondContact O-CG2 3.14Å; I343-V347 PolarHBondContact O-N 3.31Å
344	C	82.3	Confident	79.9	Confident	52 Å²	52	83.6 Å²	83.6	35%	0.351	45%	0.454	S	S	.	.	H	α-helix	trans	-58.8	-44.5	177.7	-72.7	0	0	0	0	111.6	F340 V341 G346 V347 V348	F340-C344 VanDerWaalsContact CE1-SG 3.51Å; F340-C344 WeakPolarHBondContact O-CB 3.43Å; F340-C344 PolarHBondContact O-N 3.01Å; F340-C344 PolarHBondContact O-SG 3.13Å; V341-C344 PolarHBondContact O-N 3.39Å; C344-G346 PolarHBondContact O-N 3.41Å; C344-V347 PolarHBondContact O-N 3.46Å; C344-V348 VanDerWaalsContact O-CG2 3.27Å; C344-V348 WeakPolarHBondContact O-CG2 3.42Å; C344-V348 PolarHBondContact O-N 3.07Å
345	I	85.1	Confident	80.4	Confident	98 Å²	98	88.3 Å²	88.3	50%	0.503	47%	0.466	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.1	-67.3	165.9	0	0	0	110.2	V341 V342 I343 V347 V348 V349	V341-I345 HydrophobicContact CG1-CD1 3.75Å; V341-I345 HydrophobicContact CG1-CG1 4.41Å; V341-I345 VanDerWaalsContact O-CG1 3.26Å; V341-I345 WeakPolarHBondContact O-CG1 3.34Å; V341-I345 PolarHBondContact O-N 3Å; V342-I345 PolarHBondContact O-N 3.06Å; I343-I345 VanDerWaalsContact C-N 3.33Å; I343-I345 PolarHBondContact O-N 3.48Å; I345-V347 VanDerWaalsContact C-N 3.35Å; I345-V347 PolarHBondContact O-N 3.13Å; I345-V348 PolarHBondContact O-N 3.21Å; I345-V349 HydrophobicContact CG2-CG2 4.24Å; I345-V349 WeakPolarHBondContact O-CB 3.44Å; I345-V349 VanDerWaalsContact O-CG2 3.3Å; I345-V349 WeakPolarHBondContact O-CG2 3.28Å; I345-V349 PolarHBondContact O-N 2.97Å
346	G	84.7	Confident	81	Confident	46 Å²	46	94.3 Å²	94.3	47%	0.474	49%	0.486	S	S	.	.	H	α-helix	trans	-58.7	-43	177.4	0	0	0	0	0	113.1	V342 I343 C344 G350	V342-G346 PolarHBondContact O-N 2.87Å; I343-G346 PolarHBondContact O-N 3.25Å; C344-G346 PolarHBondContact O-N 3.41Å; G346-G350 PolarHBondContact O-N 2.76Å
347	V	87.5	Confident	81	Confident	85 Å²	85	98 Å²	98	52%	0.515	50%	0.498	S	S	.	.	H	α-helix	trans	-65.3	-44	176.3	172.5	0	0	0	0	111.2	I343 C344 I345 G350 L351	I343-V347 HydrophobicContact CG2-CG2 4.43Å; I343-V347 WeakPolarHBondContact O-CG2 3.14Å; I343-V347 PolarHBondContact O-N 3.31Å; C344-V347 PolarHBondContact O-N 3.46Å; I345-V347 VanDerWaalsContact C-N 3.35Å; I345-V347 PolarHBondContact O-N 3.13Å; V347-G350 PolarHBondContact O-N 2.85Å; V347-L351 HydrophobicContact CG1-CD1 3.94Å; V347-L351 HydrophobicContact CG1-CG 4.4Å; V347-L351 WeakPolarHBondContact O-CB 3.23Å; V347-L351 WeakPolarHBondContact O-CG 3.35Å; V347-L351 PolarHBondContact O-N 3.28Å
348	V	86.6	Confident	80.9	Confident	97 Å²	97	100.4 Å²	100.4	59%	0.588	51%	0.505	S	S	*	.	H	α-helix	trans	-63.3	-45.7	178.5	171.3	0	0	0	0	111.1	C344 I345 L351 W352	C344-V348 VanDerWaalsContact O-CG2 3.27Å; C344-V348 WeakPolarHBondContact O-CG2 3.42Å; C344-V348 PolarHBondContact O-N 3.07Å; I345-V348 PolarHBondContact O-N 3.21Å; V348-L351 PolarHBondContact O-N 3.43Å; V348-W352 WeakPolarHBondContact O-CB 3.15Å; V348-W352 PolarHBondContact O-N 3.35Å
349	V	85.8	Confident	80.3	Confident	75 Å²	75	101.4 Å²	101.4	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-63.6	-42.2	176.6	174	0	0	0	0	110.7	I345 W352 L353	I345-V349 HydrophobicContact CG2-CG2 4.24Å; I345-V349 WeakPolarHBondContact O-CB 3.44Å; I345-V349 VanDerWaalsContact O-CG2 3.3Å; I345-V349 WeakPolarHBondContact O-CG2 3.28Å; I345-V349 PolarHBondContact O-N 2.97Å; V349-W352 PolarHBondContact O-N 3.44Å; V349-L353 HydrophobicContact CG1-CD1 4.11Å; V349-L353 HydrophobicContact CG1-CG 4.45Å; V349-L353 WeakPolarHBondContact O-CG 3.25Å; V349-L353 PolarHBondContact O-N 3.46Å
350	G	83.8	Confident	79.5	Confident	38 Å²	38	107.9 Å²	107.9	39%	0.392	55%	0.545	S	S	.	.	H	α-helix	trans	-61.3	-45.2	176.2	0	0	0	0	0	112.9	G346 V347 W352 L353 Y354	G346-G350 PolarHBondContact O-N 2.76Å; V347-G350 PolarHBondContact O-N 2.85Å; G350-W352 VanDerWaalsContact C-N 3.34Å; G350-W352 PolarHBondContact O-N 2.75Å; G350-L353 PolarHBondContact O-N 3.43Å; G350-Y354 WeakPolarHBondContact O-CB 3.38Å; G350-Y354 PolarHBondContact O-N 3.47Å
351	L	83.2	Confident	78	Confident	96 Å²	96	112.3 Å²	112.3	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-64.9	-37.8	175.4	-74.1	172	0	0	0	112.1	V347 V348 Y354 R355	V347-L351 HydrophobicContact CG1-CD1 3.94Å; V347-L351 HydrophobicContact CG1-CG 4.4Å; V347-L351 WeakPolarHBondContact O-CB 3.23Å; V347-L351 WeakPolarHBondContact O-CG 3.35Å; V347-L351 PolarHBondContact O-N 3.28Å; V348-L351 PolarHBondContact O-N 3.43Å; L351-Y354 PolarHBondContact O-N 3.45Å; L351-R355 WeakPolarHBondContact O-CG 3.41Å; L351-R355 PolarHBondContact O-N 3.25Å
352	W	83.5	Confident	77.9	Confident	151 Å²	151	114.2 Å²	114.2	57%	0.572	57%	0.573	S	S	*	*	H	α-helix	trans	-64.8	-46.3	176.4	-173.8	81.2	0	0	0	111.7	V348 V349 G350 Y354 R355 R356	V348-W352 WeakPolarHBondContact O-CB 3.15Å; V348-W352 PolarHBondContact O-N 3.35Å; V349-W352 PolarHBondContact O-N 3.44Å; G350-W352 VanDerWaalsContact C-N 3.34Å; G350-W352 PolarHBondContact O-N 2.75Å; W352-Y354 VanDerWaalsContact C-N 3.35Å; W352-Y354 PolarHBondContact O-N 3.03Å; W352-R355 PolarHBondContact O-N 3.04Å; W352-R356 VanDerWaalsContact CH2-NH1 3.26Å; W352-R356 WeakPolarHBondContact O-CB 3.45Å; W352-R356 PolarHBondContact O-N 3.38Å
353	L	80.9	Confident	77.7	Confident	94 Å²	94	115.7 Å²	115.7	49%	0.492	58%	0.576	S	S	.	*	H	α-helix	trans	-63.8	-38.5	175.5	-69.6	174.2	0	0	0	112.3	V349 G350 R356 K357	V349-L353 HydrophobicContact CG1-CD1 4.11Å; V349-L353 HydrophobicContact CG1-CG 4.45Å; V349-L353 WeakPolarHBondContact O-CG 3.25Å; V349-L353 PolarHBondContact O-N 3.46Å; G350-L353 PolarHBondContact O-N 3.43Å; L353-R356 PolarHBondContact O-N 2.86Å; L353-K357 PolarHBondContact O-N 3.25Å
354	Y	82.5	Confident	77.4	Confident	155 Å²	155	118.9 Å²	118.9	61%	0.608	59%	0.592	S	S	*	*	H	α-helix	trans	-63.4	-45.7	175.9	179.8	-100.5	0	0	0	112	G350 L351 W352 R356 K357 K358	G350-Y354 WeakPolarHBondContact O-CB 3.38Å; G350-Y354 PolarHBondContact O-N 3.47Å; L351-Y354 PolarHBondContact O-N 3.45Å; W352-Y354 VanDerWaalsContact C-N 3.35Å; W352-Y354 PolarHBondContact O-N 3.03Å; Y354-R356 VanDerWaalsContact C-N 3.31Å; Y354-R356 PolarHBondContact O-N 2.73Å; Y354-K357 PolarHBondContact O-N 3.39Å; Y354-K358 PolarHBondContact O-N 2.95Å; Y354-K358 VanDerWaalsContact O-N 3.07Å
355	R	79.7	Confident	77.1	Confident	189 Å²	189	122.9 Å²	122.9	71%	0.713	61%	0.606	S	S	*	*	H	α-helix	trans	-61.6	-39.5	175.2	-74.8	-178.2	-179.2	-178.1	1.4	111.9	L351 W352 K358 S359	L351-R355 WeakPolarHBondContact O-CG 3.41Å; L351-R355 PolarHBondContact O-N 3.25Å; W352-R355 PolarHBondContact O-N 3.04Å; R355-K358 PolarHBondContact O-N 2.75Å; R355-S359 PolarHBondContact O-N 3.16Å; R355-S359 VanDerWaalsContact O-N 3.14Å
356	R	76	Confident	76.6	Confident	149 Å²	149	124.4 Å²	124.4	56%	0.562	61%	0.612	S	S	*	*	H	α-helix	trans	-65.8	-38.2	178.2	-159	174.9	-177.1	-179	0.5	112.5	W352 L353 Y354 S359	W352-R356 VanDerWaalsContact CH2-NH1 3.26Å; W352-R356 WeakPolarHBondContact O-CB 3.45Å; W352-R356 PolarHBondContact O-N 3.38Å; L353-R356 PolarHBondContact O-N 2.86Å; Y354-R356 VanDerWaalsContact C-N 3.31Å; Y354-R356 PolarHBondContact O-N 2.73Å; R356-S359 PolarHBondContact O-N 3.07Å
357	K	72.4	Confident	76.1	Confident	174 Å²	174	129.7 Å²	129.7	76%	0.757	62%	0.622	S	S	*	*	H	α-helix	trans	-66.3	-37.7	172.7	-96.8	-173.8	175	-178.1	0	112.9	L353 Y354 S359 H360	L353-K357 PolarHBondContact O-N 3.25Å; Y354-K357 PolarHBondContact O-N 3.39Å; K357-S359 VanDerWaalsContact C-N 3.28Å; K357-S359 PolarHBondContact O-N 3.19Å; K357-H360 PolarHBondContact O-N 3.38Å
358	K	71.8	Confident	75.3	Confident	147 Å²	147	132.9 Å²	132.9	64%	0.639	63%	0.629	S	S	*	*	H	α-helix	trans	-71.4	-21.8	178.7	-160.4	176.3	-178.8	-179.1	0	113.2	Y354 R355 H360	Y354-K358 PolarHBondContact O-N 2.95Å; Y354-K358 VanDerWaalsContact O-N 3.07Å; R355-K358 PolarHBondContact O-N 2.75Å; K358-H360 VanDerWaalsContact C-N 3.32Å
359	S	63.1	Low	74.4	Confident	101 Å²	101	135.6 Å²	135.6	71%	0.706	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-7.7	175.1	-171.2	0	0	0	0	113.9	R355 R356 K357	R355-S359 PolarHBondContact O-N 3.16Å; R355-S359 VanDerWaalsContact O-N 3.14Å; R356-S359 PolarHBondContact O-N 3.07Å; K357-S359 VanDerWaalsContact C-N 3.28Å; K357-S359 PolarHBondContact O-N 3.19Å
360	H	57.7	Low	73.4	Confident	164 Å²	164	140.7 Å²	140.7	76%	0.759	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	10.1	177.9	-93.3	-75.3	0	0	0	113.1	K357 K358	K357-H360 PolarHBondContact O-N 3.38Å; K358-H360 VanDerWaalsContact C-N 3.32Å
361	H	46.6	Very low	72.5	Confident	230 Å²	230	150 Å²	150	100%	1.065	67%	0.671	S	S	*	*			trans	-122.1	0	169.8	-113.2	-32.4	0	0	0	108.4

Retrieved 361 of 361 residues in 317.2 ms (Link to these results)

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