A0A5K4F1P8_SCHMA Loading...

Asparagine synthetase domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1P8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 562 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	31.1	Very low	30.9	Very low	108 Å²	108	76.9 Å²	76.9	53%	0.532	42%	0.416	S	S	.	.				0	-12.8	0	-115.2	-171.1	-90.2	0	0	114.6	C121 I122 V171	M1-C121 HydrophobicContact CE-CB 4.36Å; M1-C121 HydrophobicContact SD-CB 3.82Å; M1-I122 WeakPolarHBondContact CG-O 3.29Å; M1-V171 HydrophobicContact CE-CB 3.44Å; M1-V171 VanDerWaalsContact CE-CB 3.44Å; M1-V171 HydrophobicContact CE-CG1 3.81Å; M1-V171 HydrophobicContact CE-CG2 4.49Å; M1-V171 VanDerWaalsContact CE-O 3.29Å; M1-V171 WeakPolarHBondContact CE-O 3.39Å
2	F	32.2	Very low	30.7	Very low	43 Å²	43	85.7 Å²	85.7	19%	0.189	45%	0.448	C	S	.	.			trans	-140.1	33.2	-174.6	-64.9	-73.5	0	0	0	116.1	S4 F6 F31 I86 I122	F2-S4 PolarHBondContact O-N 3.36Å; F2-S4 VanDerWaalsContact O-N 3.1Å; F2-F6 HydrophobicContact CB-CE2 4.35Å; F2-F6 WeakPolarHBondContact O-CD2 3.3Å; F2-F6 VanDerWaalsContact O-CE2 3.27Å; F2-F6 WeakPolarHBondContact O-CE2 3.44Å; F2-F31 HydrophobicContact CB-CE1 4.07Å; F2-F31 HydrophobicContact CD2-CD1 4.33Å; F2-F31 AromaticContact CD2-CE1 3.65Å; F2-F31 HydrophobicContact CD2-CE1 3.65Å; F2-F31 HydrophobicContact CD2-CE2 4.23Å; F2-F31 AromaticContact CD2-CZ 3.6Å; F2-F31 HydrophobicContact CD2-CZ 3.6Å; F2-F31 HydrophobicContact CE2-CE1 4.39Å; F2-F31 HydrophobicContact CE2-CE2 4.31Å; F2-F31 HydrophobicContact CE2-CZ 4.13Å; F2-F31 AromaticContact CG-CE1 3.98Å; F2-F31 HydrophobicContact CG-CE1 3.98Å; F2-F31 HydrophobicContact CG-CZ 4.39Å; F2-I86 HydrophobicContact CE1-CD1 4.09Å; F2-I86 HydrophobicContact CE2-CD1 4.35Å; F2-I86 HydrophobicContact CZ-CD1 3.63Å; F2-I122 HydrophobicContact CE1-CG2 3.98Å; F2-I122 HydrophobicContact CZ-CB 4.15Å; F2-I122 HydrophobicContact CZ-CG2 3.71Å
3	S	26.4	Very low	30.8	Very low	65 Å²	65	88.3 Å²	88.3	46%	0.455	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17	-174.4	51.5	0	0	0	0	115.5	F6 I132	S3-F6 PolarHBondContact O-N 2.94Å; S3-I132 WeakPolarHBondContact OG-CD1 3.38Å
4	S	34	Very low	30.6	Very low	5 Å²	5	96.2 Å²	96.2	4%	0.035	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-14.5	-168.3	45	0	0	0	0	115.9	F2 F6 S126 N127	F2-S4 PolarHBondContact O-N 3.36Å; F2-S4 VanDerWaalsContact O-N 3.1Å; S4-F6 VanDerWaalsContact C-N 3.27Å; S4-S126 WeakPolarHBondContact CB-OG 3.41Å; S4-S126 PolarHBondContact OG-OG 3.08Å; S4-N127 WeakPolarHBondContact CB-OD1 3.28Å; S4-N127 PolarHBondContact OG-OD1 3.32Å
5	F	34.1	Very low	30.8	Very low	93 Å²	93	95.9 Å²	95.9	41%	0.408	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-19.7	163.2	-105.2	-86.6	0	0	0	111.8	F19	F5-F19 HydrophobicContact CD1-CD2 4.09Å; F5-F19 HydrophobicContact CD1-CE2 4.01Å; F5-F19 HydrophobicContact CD1-CZ 4.42Å; F5-F19 HydrophobicContact CE1-CE2 4.4Å; F5-F19 HydrophobicContact CE1-CZ 4.36Å
6	F	32.1	Very low	30.9	Very low	70 Å²	70	91.3 Å²	91.3	31%	0.307	47%	0.467	S	S	.	.	S	Bend	trans	-88.5	-10.9	-178.4	-62.3	-75	0	0	0	114.2	F2 S3 S4 F8 N9 L20	F2-F6 HydrophobicContact CB-CE2 4.35Å; F2-F6 WeakPolarHBondContact O-CD2 3.3Å; F2-F6 VanDerWaalsContact O-CE2 3.27Å; F2-F6 WeakPolarHBondContact O-CE2 3.44Å; S3-F6 PolarHBondContact O-N 2.94Å; S4-F6 VanDerWaalsContact C-N 3.27Å; F6-F8 PolarHBondContact O-N 3.31Å; F6-N9 PolarHBondContact O-N 2.83Å; F6-L20 HydrophobicContact CE1-CB 4.24Å; F6-L20 HydrophobicContact CE2-CD2 4.39Å; F6-L20 HydrophobicContact CZ-CB 3.65Å; F6-L20 HydrophobicContact CZ-CD2 3.76Å; F6-L20 HydrophobicContact CZ-CG 4.36Å
7	A	29.6	Very low	31.7	Very low	63 Å²	63	88.1 Å²	88.1	52%	0.521	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17	-173.3	0	0	0	0	0	114.2
8	F	32.2	Very low	32.9	Very low	146 Å²	146	87.6 Å²	87.6	64%	0.64	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-1.5	174.3	-79.4	-76.6	0	0	0	114.6	F6	F6-F8 PolarHBondContact O-N 3.31Å
9	N	31.1	Very low	34.6	Very low	39 Å²	39	84.8 Å²	84.8	21%	0.209	43%	0.433	C	S	.	.	S	Bend	trans	-129.1	121.3	178.1	-65.7	-66	0	0	0	110.3	F6 P11 A16 P17	F6-N9 PolarHBondContact O-N 2.83Å; N9-P11 WeakPolarHBondContact O-CD 3.33Å; N9-P11 VanDerWaalsContact O-N 3.09Å; N9-A16 HydrophobicContact CB-CB 3.65Å; N9-P17 VanDerWaalsContact CG-CD 3.48Å; N9-P17 WeakPolarHBondContact ND2-CD 3.48Å; N9-P17 WeakPolarHBondContact ND2-CG 2.98Å
10	N	29.6	Very low	36.9	Very low	97 Å²	97	83.6 Å²	83.6	52%	0.519	43%	0.427	S	S	.	.			trans	-50.8	119.1	170.7	-168.2	-14.6	0	0	0	108.2	F12 Q13	N10-F12 PolarHBondContact O-N 2.86Å; N10-Q13 PolarHBondContact O-N 3.42Å
11	P	27.5	Very low	39	Very low	117 Å²	117	80 Å²	80	76%	0.76	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-6.3	-175.2	21.9	-32	0	0	0	113.5	N9	N9-P11 WeakPolarHBondContact O-CD 3.33Å; N9-P11 VanDerWaalsContact O-N 3.09Å
12	F	28.6	Very low	41.5	Very low	182 Å²	182	79.9 Å²	79.9	80%	0.798	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	1.1	174.7	-63.5	-76.3	0	0	0	115	N10 K14	N10-F12 PolarHBondContact O-N 2.86Å; F12-K14 PolarHBondContact O-N 3.31Å
13	Q	31.3	Very low	43.9	Very low	120 Å²	120	78.5 Å²	78.5	56%	0.561	40%	0.403	S	S	*	.			trans	-82.3	113	170.4	-96.4	-179.6	-16.1	0	0	110.2	N10 N15 A16	N10-Q13 PolarHBondContact O-N 3.42Å; Q13-N15 PolarHBondContact O-N 2.94Å; Q13-A16 PolarHBondContact O-N 3.2Å
14	K	29	Very low	46.5	Very low	199 Å²	199	83.7 Å²	83.7	87%	0.865	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-10.5	174.2	-84.8	-176.1	172	-177.5	0	115.1	F12	F12-K14 PolarHBondContact O-N 3.31Å
15	N	33.2	Very low	48.6	Very low	92 Å²	92	89.6 Å²	89.6	49%	0.492	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	22.3	-174.4	-63.2	-8.3	0	0	0	113.8	Q13	Q13-N15 PolarHBondContact O-N 2.94Å
16	A	33.1	Very low	50.6	Low	22 Å²	22	86.1 Å²	86.1	18%	0.182	45%	0.452	C	S	.	.	S	Bend	trans	-62.5	147.1	172.4	0	0	0	0	0	110.7	N9 Q13 Q18	N9-A16 HydrophobicContact CB-CB 3.65Å; Q13-A16 PolarHBondContact O-N 3.2Å; A16-Q18 PolarHBondContact O-N 2.89Å
17	P	44.7	Very low	53.2	Low	37 Å²	37	83.9 Å²	83.9	24%	0.24	45%	0.449	C	S	.	.			trans	-52.4	111.6	177.3	23.6	-33.8	0	0	0	108.7	N9 F19	N9-P17 VanDerWaalsContact CG-CD 3.48Å; N9-P17 WeakPolarHBondContact ND2-CD 3.48Å; N9-P17 WeakPolarHBondContact ND2-CG 2.98Å; P17-F19 HydrophobicContact CB-CD2 3.94Å; P17-F19 HydrophobicContact CB-CE2 3.54Å; P17-F19 HydrophobicContact CB-CZ 4.13Å; P17-F19 HydrophobicContact CG-CD2 4.09Å; P17-F19 HydrophobicContact CG-CE2 3.68Å; P17-F19 WeakPolarHBondContact O-CD2 3.08Å; P17-F19 PolarHBondContact O-N 2.99Å
18	Q	51.9	Low	56.2	Low	79 Å²	79	81.7 Å²	81.7	37%	0.369	43%	0.428	S	S	.	.			trans	-75.2	70.7	-174.4	-83.2	-178.9	-11.6	0	0	109.1	A16 L20 I21 S54 Y250	A16-Q18 PolarHBondContact O-N 2.89Å; Q18-L20 PolarHBondContact O-N 3.22Å; Q18-I21 HydrophobicContact CB-CD1 4.14Å; Q18-I21 HydrophobicContact CB-CG1 3.89Å; Q18-I21 HydrophobicContact CG-CG1 4.42Å; Q18-S54 VanDerWaalsContact OE1-CB 3.29Å; Q18-S54 PolarHBondContact OE1-OG 3.46Å; Q18-Y250 HydrophobicContact CB-CE1 4.39Å
19	F	66.6	Low	59.1	Low	34 Å²	34	76.3 Å²	76.3	15%	0.149	41%	0.406	C	S	.	.	S	Bend	trans	-71.6	-15	164.5	-64	-66.4	0	0	0	111.6	F5 P17 F31 C32 S33 M473	F5-F19 HydrophobicContact CD1-CD2 4.09Å; F5-F19 HydrophobicContact CD1-CE2 4.01Å; F5-F19 HydrophobicContact CD1-CZ 4.42Å; F5-F19 HydrophobicContact CE1-CE2 4.4Å; F5-F19 HydrophobicContact CE1-CZ 4.36Å; P17-F19 HydrophobicContact CB-CD2 3.94Å; P17-F19 HydrophobicContact CB-CE2 3.54Å; P17-F19 HydrophobicContact CB-CZ 4.13Å; P17-F19 HydrophobicContact CG-CD2 4.09Å; P17-F19 HydrophobicContact CG-CE2 3.68Å; P17-F19 WeakPolarHBondContact O-CD2 3.08Å; P17-F19 PolarHBondContact O-N 2.99Å; F19-F31 CarbonylContact O-C 3.44Å; F19-F31 WeakPolarHBondContact O-CA 3.42Å; F19-F31 WeakPolarHBondContact O-CB 3.18Å; F19-C32 WeakPolarHBondContact CA-O 3.26Å; F19-C32 PolarHBondContact O-N 2.85Å; F19-C32 VanDerWaalsContact O-N 3.1Å; F19-S33 VanDerWaalsContact CE1-OG 3.23Å; F19-S33 WeakPolarHBondContact CE1-OG 3.39Å; F19-M473 HydrophobicContact CE1-CE 4.07Å; F19-M473 HydrophobicContact CZ-CE 4.06Å
20	L	78.8	Confident	61.9	Low	60 Å²	60	74.5 Å²	74.5	31%	0.314	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.4	178.2	172.6	58.3	0	0	0	109	F6 Q18 I29 L30 F31	F6-L20 HydrophobicContact CE1-CB 4.24Å; F6-L20 HydrophobicContact CE2-CD2 4.39Å; F6-L20 HydrophobicContact CZ-CB 3.65Å; F6-L20 HydrophobicContact CZ-CD2 3.76Å; F6-L20 HydrophobicContact CZ-CG 4.36Å; Q18-L20 PolarHBondContact O-N 3.22Å; L20-I29 HydrophobicContact CD1-CG2 3.15Å; L20-L30 CarbonylContact C-O 3.44Å; L20-L30 WeakPolarHBondContact CA-O 3.48Å; L20-F31 HydrophobicContact CB-CD1 3.91Å; L20-F31 HydrophobicContact CB-CE1 3.83Å; L20-F31 HydrophobicContact CD1-CD1 3.74Å; L20-F31 HydrophobicContact CD1-CD2 3.97Å; L20-F31 HydrophobicContact CD1-CE1 3.35Å; L20-F31 HydrophobicContact CD1-CE2 3.58Å; L20-F31 HydrophobicContact CD1-CG 4.04Å; L20-F31 HydrophobicContact CD1-CZ 3.25Å; L20-F31 HydrophobicContact CD2-CE1 3.87Å; L20-F31 HydrophobicContact CD2-CZ 4.06Å; L20-F31 HydrophobicContact CG-CD1 4.32Å; L20-F31 HydrophobicContact CG-CE1 3.86Å; L20-F31 HydrophobicContact CG-CZ 4.14Å
21	I	80.9	Confident	64.7	Low	8 Å²	8	71.6 Å²	71.6	4%	0.041	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.8	-179.8	-56.5	171.6	0	0	0	107	Q18 I29 L30 Q57 L60	Q18-I21 HydrophobicContact CB-CD1 4.14Å; Q18-I21 HydrophobicContact CB-CG1 3.89Å; Q18-I21 HydrophobicContact CG-CG1 4.42Å; I21-I29 WeakPolarHBondContact O-CA 3.4Å; I21-L30 PolarHBondContact N-O 3.22Å; I21-L30 PolarHBondContact O-N 3.08Å; I21-Q57 VanDerWaalsContact CD1-N 3.32Å; I21-Q57 HydrophobicContact CG2-CB 4.33Å; I21-L60 HydrophobicContact CB-CD2 4.33Å; I21-L60 HydrophobicContact CG2-CD2 3.73Å
22	Q	83.9	Confident	67.5	Low	106 Å²	106	66.7 Å²	66.7	50%	0.495	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.2	-176.9	-174.5	171.7	19.3	0	0	109	G26 I29	Q22-G26 VanDerWaalsContact NE2-CA 3.31Å; Q22-G26 PolarHBondContact NE2-O 3.09Å; Q22-I29 HydrophobicContact CG-CG1 4.18Å
23	S	83.9	Confident	70	Confident	15 Å²	15	59 Å²	59	11%	0.105	32%	0.316	C	S	.	.			trans	-63.5	152.7	175.4	53.3	0	0	0	0	109.7	T25 G26 G27 D28	S23-T25 PolarHBondContact O-N 3.32Å; S23-T25 VanDerWaalsContact O-N 3.13Å; S23-T25 PolarHBondContact OG-OG1 3.23Å; S23-G26 WeakPolarHBondContact O-CA 3.41Å; S23-G26 PolarHBondContact O-N 2.89Å; S23-G27 PolarHBondContact OG-N 3.33Å; S23-D28 PolarHBondContact N-O 2.77Å; S23-D28 PolarHBondContact OG-N 3.23Å; S23-D28 PolarHBondContact OG-O 3.4Å
24	N	79.4	Confident	72.4	Confident	174 Å²	174	54 Å²	54	93%	0.93	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-30	-179.9	-70	-28.5	0	0	0	113.2	G26	N24-G26 VanDerWaalsContact C-N 3.28Å
25	T	78.8	Confident	75	Confident	128 Å²	128	45.7 Å²	45.7	79%	0.785	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-14.6	176.2	55.8	0	0	0	0	112.8	S23 G27	S23-T25 PolarHBondContact O-N 3.32Å; S23-T25 VanDerWaalsContact O-N 3.13Å; S23-T25 PolarHBondContact OG-OG1 3.23Å; T25-G27 PolarHBondContact O-N 3.37Å
26	G	77	Confident	77.3	Confident	21 Å²	21	41.7 Å²	41.7	22%	0.216	24%	0.24	C	C	.	.	S	Bend	trans	76.3	-3.8	-175.1	0	0	0	0	0	115	Q22 S23 N24	Q22-G26 VanDerWaalsContact NE2-CA 3.31Å; Q22-G26 PolarHBondContact NE2-O 3.09Å; S23-G26 WeakPolarHBondContact O-CA 3.41Å; S23-G26 PolarHBondContact O-N 2.89Å; N24-G26 VanDerWaalsContact C-N 3.28Å
27	G	86	Confident	79.1	Confident	22 Å²	22	43.3 Å²	43.3	23%	0.227	24%	0.241	C	C	.	.	S	Bend	trans	-75.7	-25.6	-173.7	0	0	0	0	0	114.3	S23 T25 I90	S23-G27 PolarHBondContact OG-N 3.33Å; T25-G27 PolarHBondContact O-N 3.37Å; G27-I90 WeakPolarHBondContact O-CB 3.28Å; G27-I90 WeakPolarHBondContact O-CG1 3.21Å; G27-I90 PolarHBondContact O-N 3.39Å
28	D	92.4	Very high	80	Confident	17 Å²	17	42.9 Å²	42.9	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.9	177.1	-67.1	-32.2	0	0	0	111.4	S23 L60 S64 F87 V88 S89	S23-D28 PolarHBondContact N-O 2.77Å; S23-D28 PolarHBondContact OG-N 3.23Å; S23-D28 PolarHBondContact OG-O 3.4Å; D28-L60 HydrophobicContact CB-CD1 3.9Å; D28-S64 VanDerWaalsContact CB-OG 3.25Å; D28-S64 WeakPolarHBondContact CB-OG 3.35Å; D28-S64 VanDerWaalsContact CG-OG 3.3Å; D28-S64 WeakPolarHBondContact OD2-CA 3.22Å; D28-S64 WeakPolarHBondContact OD2-CB 3.47Å; D28-S64 PolarHBondContact OD2-OG 2.9Å; D28-F87 HydrophobicContact CB-CE2 3.96Å; D28-F87 HydrophobicContact CB-CZ 4.43Å; D28-V88 WeakPolarHBondContact CA-O 3.33Å; D28-S89 WeakPolarHBondContact OD1-CA 3.46Å; D28-S89 VanDerWaalsContact OD1-CB 3.29Å; D28-S89 WeakPolarHBondContact OD1-CB 3.32Å; D28-S89 PolarHBondContact OD1-OG 3.36Å
29	I	92.5	Very high	79.9	Confident	34 Å²	34	39.5 Å²	39.5	17%	0.174	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.1	-175.2	-52.8	174.3	0	0	0	108.5	L20 I21 Q22 F31 V88 I90	L20-I29 HydrophobicContact CD1-CG2 3.15Å; I21-I29 WeakPolarHBondContact O-CA 3.4Å; Q22-I29 HydrophobicContact CG-CG1 4.18Å; I29-F31 HydrophobicContact CG2-CD2 4.17Å; I29-F31 HydrophobicContact CG2-CE2 3.63Å; I29-F31 HydrophobicContact CG2-CZ 4.22Å; I29-V88 HydrophobicContact CB-CB 4.18Å; I29-V88 PolarHBondContact N-O 3.09Å; I29-V88 PolarHBondContact O-N 3.35Å; I29-I90 HydrophobicContact CD1-CD1 4.28Å
30	L	91.1	Very high	79	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.1	172.2	179.9	68.4	0	0	0	109.7	L20 I21 C32 G56 L59 L60 F63 L85 I86 F87	L20-L30 CarbonylContact C-O 3.44Å; L20-L30 WeakPolarHBondContact CA-O 3.48Å; I21-L30 PolarHBondContact N-O 3.22Å; I21-L30 PolarHBondContact O-N 3.08Å; L30-C32 HydrophobicContact CD2-CB 4.27Å; L30-C32 HydrophobicContact CG-CB 4.26Å; L30-G56 WeakPolarHBondContact CD2-O 3.3Å; L30-L59 HydrophobicContact CD2-CB 3.65Å; L30-L59 HydrophobicContact CD2-CD1 4.48Å; L30-L60 HydrophobicContact CB-CB 4.05Å; L30-L60 HydrophobicContact CB-CD1 3.9Å; L30-L60 HydrophobicContact CB-CG 4.43Å; L30-L60 HydrophobicContact CD2-CB 4.22Å; L30-F63 HydrophobicContact CD1-CD2 4.1Å; L30-F63 HydrophobicContact CD1-CE2 3.9Å; L30-F63 HydrophobicContact CD2-CE2 4.42Å; L30-L85 HydrophobicContact CD1-CD1 4.22Å; L30-L85 HydrophobicContact CD1-CD2 4.12Å; L30-L85 HydrophobicContact CD1-CG 3.87Å; L30-I86 CarbonylContact C-O 3.58Å; L30-F87 HydrophobicContact CD1-CB 3.97Å
31	F	88.3	Confident	77.2	Confident	36 Å²	36	44.9 Å²	44.9	16%	0.158	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.8	157.4	-55.7	-104.2	0	0	0	109.4	F2 F19 L20 I29 L85 I86	F2-F31 HydrophobicContact CB-CE1 4.07Å; F2-F31 HydrophobicContact CD2-CD1 4.33Å; F2-F31 AromaticContact CD2-CE1 3.65Å; F2-F31 HydrophobicContact CD2-CE1 3.65Å; F2-F31 HydrophobicContact CD2-CE2 4.23Å; F2-F31 AromaticContact CD2-CZ 3.6Å; F2-F31 HydrophobicContact CD2-CZ 3.6Å; F2-F31 HydrophobicContact CE2-CE1 4.39Å; F2-F31 HydrophobicContact CE2-CE2 4.31Å; F2-F31 HydrophobicContact CE2-CZ 4.13Å; F2-F31 AromaticContact CG-CE1 3.98Å; F2-F31 HydrophobicContact CG-CE1 3.98Å; F2-F31 HydrophobicContact CG-CZ 4.39Å; F19-F31 CarbonylContact O-C 3.44Å; F19-F31 WeakPolarHBondContact O-CA 3.42Å; F19-F31 WeakPolarHBondContact O-CB 3.18Å; L20-F31 HydrophobicContact CB-CD1 3.91Å; L20-F31 HydrophobicContact CB-CE1 3.83Å; L20-F31 HydrophobicContact CD1-CD1 3.74Å; L20-F31 HydrophobicContact CD1-CD2 3.97Å; L20-F31 HydrophobicContact CD1-CE1 3.35Å; L20-F31 HydrophobicContact CD1-CE2 3.58Å; L20-F31 HydrophobicContact CD1-CG 4.04Å; L20-F31 HydrophobicContact CD1-CZ 3.25Å; L20-F31 HydrophobicContact CD2-CE1 3.87Å; L20-F31 HydrophobicContact CD2-CZ 4.06Å; L20-F31 HydrophobicContact CG-CD1 4.32Å; L20-F31 HydrophobicContact CG-CE1 3.86Å; L20-F31 HydrophobicContact CG-CZ 4.14Å; I29-F31 HydrophobicContact CG2-CD2 4.17Å; I29-F31 HydrophobicContact CG2-CE2 3.63Å; I29-F31 HydrophobicContact CG2-CZ 4.22Å; F31-L85 CarbonylContact O-C 3.46Å; F31-L85 WeakPolarHBondContact O-CA 3.12Å; F31-I86 HydrophobicContact CB-CB 4.05Å; F31-I86 HydrophobicContact CB-CD1 4.4Å; F31-I86 HydrophobicContact CB-CG1 4.48Å; F31-I86 HydrophobicContact CD2-CB 4.22Å; F31-I86 HydrophobicContact CD2-CG2 4.48Å; F31-I86 PolarHBondContact N-O 2.88Å; F31-I86 PolarHBondContact O-N 2.97Å
32	C	85.7	Confident	75.5	Confident	15 Å²	15	45.7 Å²	45.7	10%	0.101	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	136	175	61.9	0	0	0	0	110.5	F19 L30 I36 V84	F19-C32 WeakPolarHBondContact CA-O 3.26Å; F19-C32 PolarHBondContact O-N 2.85Å; F19-C32 VanDerWaalsContact O-N 3.1Å; L30-C32 HydrophobicContact CD2-CB 4.27Å; L30-C32 HydrophobicContact CG-CB 4.26Å; C32-I36 HydrophobicContact CB-CD1 4.2Å; C32-V84 WeakPolarHBondContact CA-O 3.35Å
33	S	82.3	Confident	73.6	Confident	19 Å²	19	46.2 Å²	46.2	13%	0.133	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.8	172.5	-179.8	0	0	0	0	109.3	F19 F83 V84	F19-S33 VanDerWaalsContact CE1-OG 3.23Å; F19-S33 WeakPolarHBondContact CE1-OG 3.39Å; S33-F83 CarbonylContact O-C 3.58Å; S33-F83 WeakPolarHBondContact O-CA 3.28Å; S33-V84 PolarHBondContact N-O 3.24Å; S33-V84 PolarHBondContact O-N 2.9Å
34	G	81.5	Confident	71.7	Confident	16 Å²	16	45.9 Å²	45.9	17%	0.165	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	123.4	-165.1	176.7	0	0	0	0	0	113.9	S82 H105	G34-S82 CarbonylContact C-O 3.55Å; G34-S82 WeakPolarHBondContact CA-O 3.44Å; G34-H105 WeakPolarHBondContact CA-NE2 3.39Å
35	Q	83.3	Confident	69.8	Low	25 Å²	25	39.8 Å²	39.8	12%	0.117	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	84.6	178.9	-66.1	-175.5	-55.1	0	0	109.6	G81 S82 S239 F242 D243	Q35-G81 WeakPolarHBondContact O-CA 3.37Å; Q35-S82 PolarHBondContact N-O 2.86Å; Q35-S82 PolarHBondContact O-N 2.93Å; Q35-S239 PolarHBondContact NE2-O 2.85Å; Q35-S239 PolarHBondContact NE2-OG 3.08Å; Q35-F242 HydrophobicContact CB-CD1 4.36Å; Q35-F242 HydrophobicContact CB-CE1 4.29Å; Q35-F242 HydrophobicContact CG-CD1 3.89Å; Q35-F242 HydrophobicContact CG-CE1 4Å; Q35-D243 PolarHBondContact NE2-OD1 2.76Å; Q35-D243 PolarHBondContact NE2-OD2 2.85Å
36	I	81.1	Confident	67.9	Low	7 Å²	7	42.3 Å²	42.3	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.7	180	-58.9	170.7	0	0	0	109.5	C32 I55 L59 L79 F83	C32-I36 HydrophobicContact CB-CD1 4.2Å; I36-I55 HydrophobicContact CB-CD1 4.44Å; I36-I55 VanDerWaalsContact O-CD1 3.31Å; I36-I55 WeakPolarHBondContact O-CD1 3.49Å; I36-L59 HydrophobicContact CD1-CD1 3.67Å; I36-L59 HydrophobicContact CG2-CD1 4.26Å; I36-L79 HydrophobicContact CG2-CB 4.3Å; I36-L79 HydrophobicContact CG2-CD1 4.3Å; I36-L79 HydrophobicContact CG2-CD2 3.98Å; I36-L79 HydrophobicContact CG2-CG 4.42Å; I36-F83 HydrophobicContact CD1-CB 3.91Å; I36-F83 HydrophobicContact CD1-CG 4.36Å; I36-F83 HydrophobicContact CG1-CB 3.56Å; I36-F83 HydrophobicContact CG1-CD1 4.11Å; I36-F83 HydrophobicContact CG1-CG 4.02Å
37	R	71.7	Confident	66.1	Low	57 Å²	57	42.7 Å²	42.7	22%	0.215	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.1	174.2	-64.2	-178.3	-84.3	93.2	-0.5	109.1	I80 D480 E481	R37-I80 WeakPolarHBondContact CA-O 3.49Å; R37-I80 PolarHBondContact N-O 3.31Å; R37-I80 PolarHBondContact O-N 3.16Å; R37-D480 IonicContact CZ-OD2 2.77Å; R37-D480 IonicContact NH2-OD1 3.66Å; R37-D480 IonicContact NH2-OD2 3.81Å; R37-D480 PolarHBondContact NH2-OD2 3.28Å; R37-E481 IonicContact NH2-OE2 3.92Å; R37-E481 PolarHBondContact NH2-OE2 3.45Å
38	S	62.2	Low	64.4	Low	28 Å²	28	45 Å²	45	20%	0.196	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.6	173.5	178.8	0	0	0	0	110.4	S40	S38-S40 PolarHBondContact O-N 2.82Å
39	S	51.2	Low	62.2	Low	7 Å²	7	52.9 Å²	52.9	5%	0.049	29%	0.286	C	S	.	.			trans	-78.3	56.6	175	54.7	0	0	0	0	112.1	D41 S78 I80	S39-D41 PolarHBondContact O-N 3.36Å; S39-S78 WeakPolarHBondContact CB-O 3.24Å; S39-S78 PolarHBondContact OG-O 3.21Å; S39-I80 VanDerWaalsContact CB-CD1 3.46Å
40	S	47.1	Very low	60.1	Low	82 Å²	82	55.2 Å²	55.2	57%	0.573	31%	0.306	S	S	*	.	S	Bend	trans	58.2	-16.2	173.9	44.5	0	0	0	0	119	S38	S38-S40 PolarHBondContact O-N 2.82Å
41	D	41.2	Very low	58.1	Low	125 Å²	125	61 Å²	61	67%	0.668	33%	0.333	S	S	*	.			trans	-117.9	5.6	-172.2	-78.2	-31.4	0	0	0	114.9	S39 H207	S39-D41 PolarHBondContact O-N 3.36Å; D41-H207 IonicContact OD2-CE1 3.72Å; D41-H207 PolarHBondContact OD2-CE1 3.28Å
42	I	45	Very low	56.8	Low	25 Å²	25	67.1 Å²	67.1	13%	0.128	37%	0.367	C	S	.	.	S	Bend	trans	-96.3	128.1	163.8	-43.1	165	0	0	0	107.6	L44 A45 S78 L79	I42-L44 HydrophobicContact CB-CB 3.92Å; I42-L44 HydrophobicContact CB-CD1 3.66Å; I42-L44 HydrophobicContact CB-CG 4.12Å; I42-L44 HydrophobicContact CD1-CD1 3.55Å; I42-L44 HydrophobicContact CG1-CD1 4.21Å; I42-L44 HydrophobicContact CG2-CB 3.82Å; I42-L44 HydrophobicContact CG2-CD1 3.25Å; I42-L44 HydrophobicContact CG2-CG 3.57Å; I42-L44 PolarHBondContact O-N 2.67Å; I42-A45 PolarHBondContact O-N 3.47Å; I42-S78 WeakPolarHBondContact CD1-OG 3.25Å; I42-L79 HydrophobicContact CD1-CD2 4.25Å
43	T	43.3	Very low	55.7	Low	118 Å²	118	69 Å²	69	72%	0.724	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	-15.7	168.5	-32.2	0	0	0	0	113.7	A45 K46 S47	T43-A45 VanDerWaalsContact C-N 3.3Å; T43-A45 PolarHBondContact O-N 2.7Å; T43-K46 PolarHBondContact O-N 2.92Å; T43-S47 PolarHBondContact O-N 3.12Å; T43-S47 PolarHBondContact O-OG 3.17Å
44	L	44.6	Very low	55.2	Low	7 Å²	7	69.1 Å²	69.1	4%	0.037	38%	0.377	C	S	.	.	H	α-helix	trans	-40.4	-49.2	164.3	-85.8	156.7	0	0	0	113.6	I42 K46 S47 F48 V58 L59	I42-L44 HydrophobicContact CB-CB 3.92Å; I42-L44 HydrophobicContact CB-CD1 3.66Å; I42-L44 HydrophobicContact CB-CG 4.12Å; I42-L44 HydrophobicContact CD1-CD1 3.55Å; I42-L44 HydrophobicContact CG1-CD1 4.21Å; I42-L44 HydrophobicContact CG2-CB 3.82Å; I42-L44 HydrophobicContact CG2-CD1 3.25Å; I42-L44 HydrophobicContact CG2-CG 3.57Å; I42-L44 PolarHBondContact O-N 2.67Å; L44-K46 VanDerWaalsContact C-N 3.31Å; L44-K46 PolarHBondContact O-N 3.11Å; L44-S47 VanDerWaalsContact C-OG 3.32Å; L44-S47 VanDerWaalsContact CA-OG 3.3Å; L44-S47 WeakPolarHBondContact CA-OG 3.29Å; L44-S47 PolarHBondContact O-N 2.89Å; L44-S47 PolarHBondContact O-OG 3.21Å; L44-F48 HydrophobicContact CB-CE2 3.87Å; L44-F48 HydrophobicContact CB-CZ 3.67Å; L44-F48 HydrophobicContact CD2-CE1 3.83Å; L44-F48 HydrophobicContact CD2-CE2 4.49Å; L44-F48 HydrophobicContact CD2-CZ 3.48Å; L44-F48 VanDerWaalsContact CD2-CZ 3.48Å; L44-F48 HydrophobicContact CG-CZ 4.2Å; L44-F48 WeakPolarHBondContact O-CD2 3.24Å; L44-F48 WeakPolarHBondContact O-CE2 3.46Å; L44-F48 VanDerWaalsContact O-CG 3.26Å; L44-F48 WeakPolarHBondContact O-CG 3.34Å; L44-F48 PolarHBondContact O-N 3.41Å; L44-V58 HydrophobicContact CB-CG1 4.45Å; L44-V58 HydrophobicContact CD2-CB 3.27Å; L44-V58 HydrophobicContact CD2-CG1 3.09Å; L44-V58 HydrophobicContact CD2-CG2 4.35Å; L44-V58 HydrophobicContact CG-CB 4.4Å; L44-V58 HydrophobicContact CG-CG1 3.72Å; L44-L59 HydrophobicContact CD1-CD2 3.77Å; L44-L59 HydrophobicContact CD2-CD2 4.28Å; L44-L59 HydrophobicContact CD2-CG 4.44Å
45	A	38.8	Very low	54.9	Low	47 Å²	47	70.2 Å²	70.2	39%	0.388	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-34.4	-174.2	0	0	0	0	0	113.4	I42 T43 F48	I42-A45 PolarHBondContact O-N 3.47Å; T43-A45 VanDerWaalsContact C-N 3.3Å; T43-A45 PolarHBondContact O-N 2.7Å; A45-F48 VanDerWaalsContact CA-CD2 3.49Å
46	K	38.7	Very low	54.7	Low	180 Å²	180	69 Å²	69	78%	0.783	37%	0.373	S	S	*	.	H	α-helix	trans	-80.3	-25	178.5	-72.5	-175.7	177.3	178.7	0	112.9	T43 L44	T43-K46 PolarHBondContact O-N 2.92Å; L44-K46 VanDerWaalsContact C-N 3.31Å; L44-K46 PolarHBondContact O-N 3.11Å
47	S	40.8	Very low	54.7	Low	29 Å²	29	70.9 Å²	70.9	20%	0.203	38%	0.381	C	S	.	.	H	α-helix	trans	-78.5	-22.2	176.4	40	0	0	0	0	114.1	T43 L44 E49	T43-S47 PolarHBondContact O-N 3.12Å; T43-S47 PolarHBondContact O-OG 3.17Å; L44-S47 VanDerWaalsContact C-OG 3.32Å; L44-S47 VanDerWaalsContact CA-OG 3.3Å; L44-S47 WeakPolarHBondContact CA-OG 3.29Å; L44-S47 PolarHBondContact O-N 2.89Å; L44-S47 PolarHBondContact O-OG 3.21Å; S47-E49 PolarHBondContact O-N 3.36Å
48	F	49.3	Very low	55.1	Low	72 Å²	72	69.1 Å²	69.1	32%	0.316	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.4	-177.5	-60.9	-49.7	0	0	0	114.2	L44 A45 I55 V58	L44-F48 HydrophobicContact CB-CE2 3.87Å; L44-F48 HydrophobicContact CB-CZ 3.67Å; L44-F48 HydrophobicContact CD2-CE1 3.83Å; L44-F48 HydrophobicContact CD2-CE2 4.49Å; L44-F48 HydrophobicContact CD2-CZ 3.48Å; L44-F48 VanDerWaalsContact CD2-CZ 3.48Å; L44-F48 HydrophobicContact CG-CZ 4.2Å; L44-F48 WeakPolarHBondContact O-CD2 3.24Å; L44-F48 WeakPolarHBondContact O-CE2 3.46Å; L44-F48 VanDerWaalsContact O-CG 3.26Å; L44-F48 WeakPolarHBondContact O-CG 3.34Å; L44-F48 PolarHBondContact O-N 3.41Å; A45-F48 VanDerWaalsContact CA-CD2 3.49Å; F48-I55 HydrophobicContact CE1-CB 4.12Å; F48-I55 HydrophobicContact CE1-CD1 3.66Å; F48-I55 HydrophobicContact CE1-CG1 3.83Å; F48-I55 HydrophobicContact CE2-CD1 4.25Å; F48-I55 HydrophobicContact CZ-CD1 3.41Å; F48-I55 VanDerWaalsContact CZ-CD1 3.41Å; F48-I55 HydrophobicContact CZ-CG1 3.95Å; F48-V58 HydrophobicContact CE1-CB 4.45Å; F48-V58 HydrophobicContact CE1-CG2 4.21Å
49	E	46.1	Very low	56.2	Low	182 Å²	182	67.9 Å²	67.9	85%	0.85	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-19.6	-178	-70.1	-176.2	170.2	0	0	113.1	S47	S47-E49 PolarHBondContact O-N 3.36Å
50	S	48.9	Very low	58	Low	83 Å²	83	67.5 Å²	67.5	58%	0.58	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-26.5	-170.5	62	0	0	0	0	114.5
51	E	49.4	Very low	59.9	Low	121 Å²	121	66.7 Å²	66.7	57%	0.565	36%	0.355	S	S	*	.	S	Bend	trans	-140.8	133.5	-175.3	-61.2	-176.3	168.5	0	0	108	I53	E51-I53 HydrophobicContact CB-CD1 3.63Å; E51-I53 HydrophobicContact CB-CG1 3.75Å; E51-I53 PolarHBondContact O-N 2.91Å; E51-I53 WeakPolarHBondContact OE2-CD1 3.32Å
52	N	59.9	Low	62.2	Low	164 Å²	164	61.7 Å²	61.7	88%	0.877	33%	0.331	S	S	*	.			trans	-64.7	56.9	178.5	-77.8	-25	0	0	0	112.2
53	I	64	Low	64.4	Low	55 Å²	55	60.6 Å²	60.6	28%	0.282	33%	0.325	S	S	.	.			trans	-106.4	130.8	-174.5	-60.9	178.9	0	0	0	107.8	E51 Q57 V58	E51-I53 HydrophobicContact CB-CD1 3.63Å; E51-I53 HydrophobicContact CB-CG1 3.75Å; E51-I53 PolarHBondContact O-N 2.91Å; E51-I53 WeakPolarHBondContact OE2-CD1 3.32Å; I53-Q57 HydrophobicContact CG2-CB 3.68Å; I53-Q57 HydrophobicContact CG2-CG 3.83Å; I53-V58 HydrophobicContact CB-CG2 4.33Å; I53-V58 HydrophobicContact CG2-CG2 3.62Å
54	S	71.4	Confident	66.7	Low	22 Å²	22	56.7 Å²	56.7	15%	0.154	30%	0.303	C	S	.	.			trans	-68.1	148.6	179	69.9	0	0	0	0	111	Q18 G56 Q57 V58	Q18-S54 VanDerWaalsContact OE1-CB 3.29Å; Q18-S54 PolarHBondContact OE1-OG 3.46Å; S54-G56 PolarHBondContact O-N 3.34Å; S54-Q57 WeakPolarHBondContact O-CB 3.22Å; S54-Q57 PolarHBondContact O-N 3.43Å; S54-Q57 PolarHBondContact OG-N 2.94Å; S54-V58 PolarHBondContact O-N 2.96Å
55	I	74	Confident	68.9	Low	38 Å²	38	63.9 Å²	63.9	20%	0.195	33%	0.334	C	S	.	.	H	α-helix	trans	-55.2	-39.5	-179.3	-172.5	133.8	0	0	0	112.8	I36 F48 Q57 V58 L59	I36-I55 HydrophobicContact CB-CD1 4.44Å; I36-I55 VanDerWaalsContact O-CD1 3.31Å; I36-I55 WeakPolarHBondContact O-CD1 3.49Å; F48-I55 HydrophobicContact CE1-CB 4.12Å; F48-I55 HydrophobicContact CE1-CD1 3.66Å; F48-I55 HydrophobicContact CE1-CG1 3.83Å; F48-I55 HydrophobicContact CE2-CD1 4.25Å; F48-I55 HydrophobicContact CZ-CD1 3.41Å; F48-I55 VanDerWaalsContact CZ-CD1 3.41Å; F48-I55 HydrophobicContact CZ-CG1 3.95Å; I55-Q57 VanDerWaalsContact C-N 3.3Å; I55-Q57 PolarHBondContact O-N 3.4Å; I55-V58 PolarHBondContact O-N 3.35Å; I55-L59 HydrophobicContact CG1-CD1 4.23Å; I55-L59 HydrophobicContact CG1-CG 4.4Å; I55-L59 WeakPolarHBondContact O-CG 3.28Å; I55-L59 PolarHBondContact O-N 2.66Å
56	G	79.7	Confident	71.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-69.6	-27.6	-179.8	0	0	0	0	0	112.7	L30 S54 L59 L60	L30-G56 WeakPolarHBondContact CD2-O 3.3Å; S54-G56 PolarHBondContact O-N 3.34Å; G56-L59 PolarHBondContact O-N 3.29Å; G56-L60 VanDerWaalsContact O-CB 3.29Å; G56-L60 WeakPolarHBondContact O-CB 3.22Å; G56-L60 PolarHBondContact O-N 3.41Å
57	Q	81.4	Confident	73.7	Confident	45 Å²	45	62.5 Å²	62.5	21%	0.21	33%	0.326	C	S	.	.	H	α-helix	trans	-67.9	-43.3	173.6	-176.7	64.2	56.5	0	0	110.4	I21 I53 S54 I55 L59 L60 D61	I21-Q57 VanDerWaalsContact CD1-N 3.32Å; I21-Q57 HydrophobicContact CG2-CB 4.33Å; I53-Q57 HydrophobicContact CG2-CB 3.68Å; I53-Q57 HydrophobicContact CG2-CG 3.83Å; S54-Q57 WeakPolarHBondContact O-CB 3.22Å; S54-Q57 PolarHBondContact O-N 3.43Å; S54-Q57 PolarHBondContact OG-N 2.94Å; I55-Q57 VanDerWaalsContact C-N 3.3Å; I55-Q57 PolarHBondContact O-N 3.4Å; Q57-L59 VanDerWaalsContact C-N 3.31Å; Q57-L59 PolarHBondContact O-N 3.2Å; Q57-L60 PolarHBondContact O-N 3.15Å; Q57-D61 PolarHBondContact NE2-OD1 3.36Å; Q57-D61 WeakPolarHBondContact O-CB 3.41Å; Q57-D61 VanDerWaalsContact O-CG 3.22Å; Q57-D61 PolarHBondContact O-N 3.42Å
58	V	80	Confident	76.1	Confident	20 Å²	20	65.3 Å²	65.3	12%	0.121	34%	0.339	C	S	.	.	H	α-helix	trans	-66.2	-36.9	178.1	-164.5	0	0	0	0	111.3	L44 F48 I53 S54 I55 A62	L44-V58 HydrophobicContact CB-CG1 4.45Å; L44-V58 HydrophobicContact CD2-CB 3.27Å; L44-V58 HydrophobicContact CD2-CG1 3.09Å; L44-V58 HydrophobicContact CD2-CG2 4.35Å; L44-V58 HydrophobicContact CG-CB 4.4Å; L44-V58 HydrophobicContact CG-CG1 3.72Å; F48-V58 HydrophobicContact CE1-CB 4.45Å; F48-V58 HydrophobicContact CE1-CG2 4.21Å; I53-V58 HydrophobicContact CB-CG2 4.33Å; I53-V58 HydrophobicContact CG2-CG2 3.62Å; S54-V58 PolarHBondContact O-N 2.96Å; I55-V58 PolarHBondContact O-N 3.35Å; V58-A62 WeakPolarHBondContact O-CB 3.42Å; V58-A62 PolarHBondContact O-N 3.32Å
59	L	85.6	Confident	78.3	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-64.3	-45.9	172.9	-71.6	174.3	0	0	0	111.9	L30 I36 L44 I55 G56 Q57 D61 A62 F63 L79	L30-L59 HydrophobicContact CD2-CB 3.65Å; L30-L59 HydrophobicContact CD2-CD1 4.48Å; I36-L59 HydrophobicContact CD1-CD1 3.67Å; I36-L59 HydrophobicContact CG2-CD1 4.26Å; L44-L59 HydrophobicContact CD1-CD2 3.77Å; L44-L59 HydrophobicContact CD2-CD2 4.28Å; L44-L59 HydrophobicContact CD2-CG 4.44Å; I55-L59 HydrophobicContact CG1-CD1 4.23Å; I55-L59 HydrophobicContact CG1-CG 4.4Å; I55-L59 WeakPolarHBondContact O-CG 3.28Å; I55-L59 PolarHBondContact O-N 2.66Å; G56-L59 PolarHBondContact O-N 3.29Å; Q57-L59 VanDerWaalsContact C-N 3.31Å; Q57-L59 PolarHBondContact O-N 3.2Å; L59-D61 PolarHBondContact O-N 2.88Å; L59-A62 PolarHBondContact O-N 3.33Å; L59-F63 HydrophobicContact CB-CE2 3.95Å; L59-F63 HydrophobicContact CB-CZ 4.32Å; L59-F63 HydrophobicContact CD2-CZ 4.13Å; L59-F63 WeakPolarHBondContact O-CD2 3.33Å; L59-F63 VanDerWaalsContact O-CG 3.23Å; L59-F63 WeakPolarHBondContact O-CG 3.37Å; L59-F63 PolarHBondContact O-N 2.97Å; L59-L79 HydrophobicContact CD2-CD1 4.45Å; L59-L79 HydrophobicContact CD2-CD2 3.67Å
60	L	89.2	Confident	80.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.4	-49.5	177.3	177.1	62.4	0	0	0	110.4	I21 D28 L30 G56 Q57 A62 F63 S64 F87	I21-L60 HydrophobicContact CB-CD2 4.33Å; I21-L60 HydrophobicContact CG2-CD2 3.73Å; D28-L60 HydrophobicContact CB-CD1 3.9Å; L30-L60 HydrophobicContact CB-CB 4.05Å; L30-L60 HydrophobicContact CB-CD1 3.9Å; L30-L60 HydrophobicContact CB-CG 4.43Å; L30-L60 HydrophobicContact CD2-CB 4.22Å; G56-L60 VanDerWaalsContact O-CB 3.29Å; G56-L60 WeakPolarHBondContact O-CB 3.22Å; G56-L60 PolarHBondContact O-N 3.41Å; Q57-L60 PolarHBondContact O-N 3.15Å; L60-A62 PolarHBondContact O-N 3.24Å; L60-F63 PolarHBondContact O-N 3.03Å; L60-S64 VanDerWaalsContact O-CB 3.24Å; L60-S64 WeakPolarHBondContact O-CB 3.39Å; L60-S64 PolarHBondContact O-N 3.1Å; L60-S64 PolarHBondContact O-OG 3.46Å; L60-S64 VanDerWaalsContact O-OG 3.08Å; L60-F87 HydrophobicContact CD1-CD2 4.15Å; L60-F87 HydrophobicContact CD1-CE2 3.81Å
61	D	87.3	Confident	82.6	Confident	64 Å²	64	54 Å²	54	34%	0.342	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-33.5	178.8	-67.8	-12.2	0	0	0	112.5	Q57 L59 K65	Q57-D61 PolarHBondContact NE2-OD1 3.36Å; Q57-D61 WeakPolarHBondContact O-CB 3.41Å; Q57-D61 VanDerWaalsContact O-CG 3.22Å; Q57-D61 PolarHBondContact O-N 3.42Å; L59-D61 PolarHBondContact O-N 2.88Å; D61-K65 VanDerWaalsContact O-CD 3.28Å; D61-K65 WeakPolarHBondContact O-CD 3.39Å; D61-K65 WeakPolarHBondContact O-CE 3.48Å; D61-K65 VanDerWaalsContact O-CG 3.24Å; D61-K65 WeakPolarHBondContact O-CG 3.22Å
62	A	88.2	Confident	84.6	Confident	20 Å²	20	48.2 Å²	48.2	17%	0.165	26%	0.258	C	S	.	.	H	α-helix	trans	-69.6	-46.8	175.1	0	0	0	0	0	111.4	V58 L59 L60 K65	V58-A62 WeakPolarHBondContact O-CB 3.42Å; V58-A62 PolarHBondContact O-N 3.32Å; L59-A62 PolarHBondContact O-N 3.33Å; L60-A62 PolarHBondContact O-N 3.24Å; A62-K65 PolarHBondContact O-N 3.19Å
63	F	92.1	Very high	86.3	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-69.3	-39.4	179.7	-56.9	-35.1	0	0	0	112.7	L30 L59 L60 K65 E66 V72 L75 V76 L79 L85 F87	L30-F63 HydrophobicContact CD1-CD2 4.1Å; L30-F63 HydrophobicContact CD1-CE2 3.9Å; L30-F63 HydrophobicContact CD2-CE2 4.42Å; L59-F63 HydrophobicContact CB-CE2 3.95Å; L59-F63 HydrophobicContact CB-CZ 4.32Å; L59-F63 HydrophobicContact CD2-CZ 4.13Å; L59-F63 WeakPolarHBondContact O-CD2 3.33Å; L59-F63 VanDerWaalsContact O-CG 3.23Å; L59-F63 WeakPolarHBondContact O-CG 3.37Å; L59-F63 PolarHBondContact O-N 2.97Å; L60-F63 PolarHBondContact O-N 3.03Å; F63-K65 PolarHBondContact O-N 3.17Å; F63-E66 PolarHBondContact O-N 2.95Å; F63-V72 HydrophobicContact CD1-CG1 4.36Å; F63-L75 HydrophobicContact CD1-CB 4.08Å; F63-L75 HydrophobicContact CD1-CD1 4.01Å; F63-L75 HydrophobicContact CE1-CB 3.79Å; F63-L75 HydrophobicContact CE1-CD1 4.48Å; F63-V76 HydrophobicContact CE1-CG2 3.86Å; F63-V76 HydrophobicContact CZ-CG2 3.87Å; F63-L79 HydrophobicContact CZ-CD1 4.41Å; F63-L85 HydrophobicContact CE2-CD1 3.83Å; F63-L85 HydrophobicContact CE2-CD2 4.4Å; F63-L85 HydrophobicContact CZ-CD1 3.95Å; F63-F87 HydrophobicContact CB-CD1 3.87Å; F63-F87 HydrophobicContact CB-CD2 4.1Å; F63-F87 HydrophobicContact CB-CE1 3.64Å; F63-F87 HydrophobicContact CB-CE2 3.85Å; F63-F87 HydrophobicContact CB-CG 4.12Å; F63-F87 HydrophobicContact CB-CZ 3.62Å; F63-F87 HydrophobicContact CD2-CB 4.24Å; F63-F87 HydrophobicContact CD2-CD1 4.43Å; F63-F87 HydrophobicContact CD2-CD2 4.18Å; F63-F87 HydrophobicContact CD2-CG 4.04Å; F63-F87 HydrophobicContact CG-CD1 4.36Å; F63-F87 HydrophobicContact CG-CG 4.4Å
64	S	91.6	Very high	87.6	Confident	37 Å²	37	41.5 Å²	41.5	26%	0.259	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.6	178	-73.9	0	0	0	0	114	D28 L60 E66	D28-S64 VanDerWaalsContact CB-OG 3.25Å; D28-S64 WeakPolarHBondContact CB-OG 3.35Å; D28-S64 VanDerWaalsContact CG-OG 3.3Å; D28-S64 WeakPolarHBondContact OD2-CA 3.22Å; D28-S64 WeakPolarHBondContact OD2-CB 3.47Å; D28-S64 PolarHBondContact OD2-OG 2.9Å; L60-S64 VanDerWaalsContact O-CB 3.24Å; L60-S64 WeakPolarHBondContact O-CB 3.39Å; L60-S64 PolarHBondContact O-N 3.1Å; L60-S64 PolarHBondContact O-OG 3.46Å; L60-S64 VanDerWaalsContact O-OG 3.08Å; S64-E66 VanDerWaalsContact C-N 3.32Å
65	K	90	Very high	88.5	Confident	158 Å²	158	42.1 Å²	42.1	69%	0.687	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-14.6	175	-73.5	166.9	-170.9	169.3	0	113.1	D61 A62 F63	D61-K65 VanDerWaalsContact O-CD 3.28Å; D61-K65 WeakPolarHBondContact O-CD 3.39Å; D61-K65 WeakPolarHBondContact O-CE 3.48Å; D61-K65 VanDerWaalsContact O-CG 3.24Å; D61-K65 WeakPolarHBondContact O-CG 3.22Å; A62-K65 PolarHBondContact O-N 3.19Å; F63-K65 PolarHBondContact O-N 3.17Å
66	E	91.4	Very high	89.3	Confident	68 Å²	68	40.4 Å²	40.4	32%	0.318	22%	0.215	S	C	.	.			trans	-98.2	116.4	-173.1	-64	-57.9	161.4	0	0	112.1	F63 S64 A71 V72 L75	F63-E66 PolarHBondContact O-N 2.95Å; S64-E66 VanDerWaalsContact C-N 3.32Å; E66-A71 HydrophobicContact CB-CB 4.12Å; E66-A71 HydrophobicContact CG-CB 4Å; E66-A71 WeakPolarHBondContact OE2-CB 3.22Å; E66-V72 HydrophobicContact CB-CG2 3.61Å; E66-V72 HydrophobicContact CG-CG2 4.49Å; E66-L75 HydrophobicContact CG-CD1 3.58Å
67	N	88.1	Confident	89.8	Confident	129 Å²	129	41.5 Å²	41.5	69%	0.69	22%	0.221	S	C	*	.			trans	-90.6	-4	179.1	-57.8	-12.9	0	0	0	112.7
68	N	91.1	Very high	90.1	Very high	89 Å²	89	40.4 Å²	40.4	48%	0.476	22%	0.218	S	C	.	.	S	Bend	trans	-113.8	128.2	-175.3	-176	-20.7	0	0	0	110.7	N70 A71 V72	N68-N70 VanDerWaalsContact C-N 3.25Å; N68-N70 PolarHBondContact O-N 2.9Å; N68-N70 PolarHBondContact OD1-N 3.33Å; N68-A71 HydrophobicContact CB-CB 4.17Å; N68-A71 WeakPolarHBondContact O-CB 3.42Å; N68-A71 PolarHBondContact O-N 3.03Å; N68-V72 PolarHBondContact O-N 3.43Å
69	V	93.8	Very high	90.4	Very high	20 Å²	20	40.1 Å²	40.1	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-49.4	-46.1	175.5	174.4	0	0	0	0	112	A71 V72 V73 Y96 V161 Y179	V69-A71 VanDerWaalsContact C-N 3.28Å; V69-A71 PolarHBondContact O-N 3.31Å; V69-V72 PolarHBondContact O-N 3.35Å; V69-V73 HydrophobicContact CG1-CG2 4.19Å; V69-V73 WeakPolarHBondContact O-CB 3.4Å; V69-V73 VanDerWaalsContact O-CG2 3.22Å; V69-V73 WeakPolarHBondContact O-CG2 3.33Å; V69-V73 PolarHBondContact O-N 3.01Å; V69-Y96 HydrophobicContact CG1-CE1 4.15Å; V69-V161 HydrophobicContact CG1-CB 4.41Å; V69-V161 HydrophobicContact CG1-CG1 3.98Å; V69-V161 HydrophobicContact CG1-CG2 4.07Å; V69-V161 HydrophobicContact CG2-CG1 4.48Å; V69-Y179 HydrophobicContact CG1-CE2 4.16Å; V69-Y179 WeakPolarHBondContact CG1-OH 3.48Å
70	N	92.9	Very high	90.3	Very high	55 Å²	55	41.6 Å²	41.6	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-30.7	-178.2	-79	-49.5	0	0	0	112.9	N68 N74 R199	N68-N70 VanDerWaalsContact C-N 3.25Å; N68-N70 PolarHBondContact O-N 2.9Å; N68-N70 PolarHBondContact OD1-N 3.33Å; N70-N74 WeakPolarHBondContact O-CB 3.34Å; N70-N74 PolarHBondContact O-N 3.4Å; N70-N74 PolarHBondContact O-ND2 3.36Å; N70-N74 PolarHBondContact O-OD1 2.93Å; N70-R199 PolarHBondContact OD1-NE 3.28Å; N70-R199 PolarHBondContact OD1-NH2 2.89Å
71	A	92.4	Very high	90.2	Very high	23 Å²	23	41.7 Å²	41.7	19%	0.19	22%	0.224	C	C	.	.	H	α-helix	trans	-72.3	-45.4	178.5	0	0	0	0	0	110.8	E66 N68 V69 V73 N74 L75	E66-A71 HydrophobicContact CB-CB 4.12Å; E66-A71 HydrophobicContact CG-CB 4Å; E66-A71 WeakPolarHBondContact OE2-CB 3.22Å; N68-A71 HydrophobicContact CB-CB 4.17Å; N68-A71 WeakPolarHBondContact O-CB 3.42Å; N68-A71 PolarHBondContact O-N 3.03Å; V69-A71 VanDerWaalsContact C-N 3.28Å; V69-A71 PolarHBondContact O-N 3.31Å; A71-V73 PolarHBondContact O-N 3.4Å; A71-N74 PolarHBondContact O-N 3.11Å; A71-L75 WeakPolarHBondContact O-CG 3.38Å; A71-L75 PolarHBondContact O-N 2.91Å
72	V	93.1	Very high	90.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-47.4	172.1	-179	0	0	0	0	110.8	F63 E66 N68 V69 N74 L75 V76 F87 Y96	F63-V72 HydrophobicContact CD1-CG1 4.36Å; E66-V72 HydrophobicContact CB-CG2 3.61Å; E66-V72 HydrophobicContact CG-CG2 4.49Å; N68-V72 PolarHBondContact O-N 3.43Å; V69-V72 PolarHBondContact O-N 3.35Å; V72-N74 VanDerWaalsContact C-N 3.31Å; V72-N74 PolarHBondContact O-N 2.94Å; V72-L75 PolarHBondContact O-N 3.33Å; V72-L75 VanDerWaalsContact O-N 3.17Å; V72-V76 HydrophobicContact CG1-CG2 4.43Å; V72-V76 WeakPolarHBondContact O-CG2 3.34Å; V72-V76 PolarHBondContact O-N 3.32Å; V72-F87 HydrophobicContact CG1-CD1 4.02Å; V72-F87 HydrophobicContact CG1-CE1 4.33Å; V72-F87 HydrophobicContact CG2-CE1 4.49Å; V72-Y96 HydrophobicContact CB-CD1 4.16Å; V72-Y96 HydrophobicContact CB-CE1 3.69Å; V72-Y96 HydrophobicContact CG1-CD1 3.61Å; V72-Y96 HydrophobicContact CG1-CD2 4.17Å; V72-Y96 HydrophobicContact CG1-CE1 3.64Å; V72-Y96 HydrophobicContact CG1-CE2 4.17Å; V72-Y96 HydrophobicContact CG1-CG 3.91Å; V72-Y96 HydrophobicContact CG2-CE1 4.31Å
73	V	94.4	Very high	90.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-42.4	177.3	165.7	0	0	0	0	111.5	V69 A71 V76 N77 I159 V161 Y179 L201	V69-V73 HydrophobicContact CG1-CG2 4.19Å; V69-V73 WeakPolarHBondContact O-CB 3.4Å; V69-V73 VanDerWaalsContact O-CG2 3.22Å; V69-V73 WeakPolarHBondContact O-CG2 3.33Å; V69-V73 PolarHBondContact O-N 3.01Å; A71-V73 PolarHBondContact O-N 3.4Å; V73-V76 PolarHBondContact O-N 3.03Å; V73-N77 VanDerWaalsContact O-CB 3.28Å; V73-N77 WeakPolarHBondContact O-CB 3.36Å; V73-N77 PolarHBondContact O-N 2.86Å; V73-I159 HydrophobicContact CG1-CD1 4.03Å; V73-I159 HydrophobicContact CG2-CG2 4.3Å; V73-I159 WeakPolarHBondContact O-CD1 3.48Å; V73-V161 HydrophobicContact CG2-CG2 3.95Å; V73-Y179 HydrophobicContact CG1-CD1 3.86Å; V73-Y179 HydrophobicContact CG1-CD2 4.34Å; V73-Y179 HydrophobicContact CG1-CE1 4.46Å; V73-Y179 HydrophobicContact CG1-CG 3.79Å; V73-Y179 HydrophobicContact CG2-CD1 4.41Å; V73-Y179 HydrophobicContact CG2-CD2 3.77Å; V73-Y179 HydrophobicContact CG2-CE1 4.47Å; V73-Y179 HydrophobicContact CG2-CE2 3.85Å; V73-Y179 HydrophobicContact CG2-CG 4.07Å; V73-L201 HydrophobicContact CG1-CD1 4.5Å; V73-L201 HydrophobicContact CG1-CD2 3.81Å
74	N	90.7	Very high	90.2	Very high	79 Å²	79	39.4 Å²	39.4	42%	0.422	21%	0.211	S	C	.	.	H	α-helix	trans	-66.7	-38.6	177.5	-71.7	-18.8	0	0	0	112.2	N70 A71 V72 N77 S78 R199	N70-N74 WeakPolarHBondContact O-CB 3.34Å; N70-N74 PolarHBondContact O-N 3.4Å; N70-N74 PolarHBondContact O-ND2 3.36Å; N70-N74 PolarHBondContact O-OD1 2.93Å; A71-N74 PolarHBondContact O-N 3.11Å; V72-N74 VanDerWaalsContact C-N 3.31Å; V72-N74 PolarHBondContact O-N 2.94Å; N74-N77 PolarHBondContact O-N 3Å; N74-S78 PolarHBondContact O-N 2.74Å; N74-S78 VanDerWaalsContact O-N 3.1Å; N74-R199 PolarHBondContact OD1-NH2 3.27Å
75	L	90.4	Very high	90.3	Very high	35 Å²	35	37.7 Å²	37.7	18%	0.183	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-41.2	174.9	-72.5	175	0	0	0	111.7	F63 E66 A71 V72 N77 S78	F63-L75 HydrophobicContact CD1-CB 4.08Å; F63-L75 HydrophobicContact CD1-CD1 4.01Å; F63-L75 HydrophobicContact CE1-CB 3.79Å; F63-L75 HydrophobicContact CE1-CD1 4.48Å; E66-L75 HydrophobicContact CG-CD1 3.58Å; A71-L75 WeakPolarHBondContact O-CG 3.38Å; A71-L75 PolarHBondContact O-N 2.91Å; V72-L75 PolarHBondContact O-N 3.33Å; V72-L75 VanDerWaalsContact O-N 3.17Å; L75-N77 VanDerWaalsContact C-N 3.33Å; L75-S78 PolarHBondContact O-N 3.2Å; L75-S78 PolarHBondContact O-OG 3.1Å
76	V	91.7	Very high	90.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-38.8	174.9	176.6	0	0	0	0	110.5	F63 V72 V73 S78 L79 L85 T98 I159 W181	F63-V76 HydrophobicContact CE1-CG2 3.86Å; F63-V76 HydrophobicContact CZ-CG2 3.87Å; V72-V76 HydrophobicContact CG1-CG2 4.43Å; V72-V76 WeakPolarHBondContact O-CG2 3.34Å; V72-V76 PolarHBondContact O-N 3.32Å; V73-V76 PolarHBondContact O-N 3.03Å; V76-S78 PolarHBondContact O-N 3.02Å; V76-L79 WeakPolarHBondContact O-CB 3.42Å; V76-L79 WeakPolarHBondContact O-CG 3.38Å; V76-L79 PolarHBondContact O-N 3.21Å; V76-L85 HydrophobicContact CG2-CD2 4.35Å; V76-T98 HydrophobicContact CG1-CG2 3.77Å; V76-I159 HydrophobicContact CB-CD1 3.71Å; V76-I159 HydrophobicContact CB-CG1 4.41Å; V76-I159 HydrophobicContact CG1-CD1 3.56Å; V76-I159 HydrophobicContact CG1-CG1 3.79Å; V76-W181 HydrophobicContact CG1-CH2 4.4Å
77	N	90.6	Very high	90.6	Very high	24 Å²	24	27.5 Å²	27.5	13%	0.128	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-16.4	177.4	-172.6	53.7	0	0	0	114.3	V73 N74 L75 I159 W181 L201	V73-N77 VanDerWaalsContact O-CB 3.28Å; V73-N77 WeakPolarHBondContact O-CB 3.36Å; V73-N77 PolarHBondContact O-N 2.86Å; N74-N77 PolarHBondContact O-N 3Å; L75-N77 VanDerWaalsContact C-N 3.33Å; N77-I159 HydrophobicContact CB-CD1 4.26Å; N77-W181 HydrophobicContact CB-CZ3 4.39Å; N77-L201 HydrophobicContact CB-CD1 4.17Å
78	S	86.8	Confident	90.9	Very high	22 Å²	22	22.6 Å²	22.6	15%	0.154	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-6.2	175	66.1	0	0	0	0	113.6	S39 I42 N74 L75 V76	S39-S78 WeakPolarHBondContact CB-O 3.24Å; S39-S78 PolarHBondContact OG-O 3.21Å; I42-S78 WeakPolarHBondContact CD1-OG 3.25Å; N74-S78 PolarHBondContact O-N 2.74Å; N74-S78 VanDerWaalsContact O-N 3.1Å; L75-S78 PolarHBondContact O-N 3.2Å; L75-S78 PolarHBondContact O-OG 3.1Å; V76-S78 PolarHBondContact O-N 3.02Å
79	L	86.9	Confident	91	Very high	14 Å²	14	18.6 Å²	18.6	7%	0.073	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	143.3	172.9	-56.2	-177	0	0	0	110.7	I36 I42 L59 F63 V76 F83 L85	I36-L79 HydrophobicContact CG2-CB 4.3Å; I36-L79 HydrophobicContact CG2-CD1 4.3Å; I36-L79 HydrophobicContact CG2-CD2 3.98Å; I36-L79 HydrophobicContact CG2-CG 4.42Å; I42-L79 HydrophobicContact CD1-CD2 4.25Å; L59-L79 HydrophobicContact CD2-CD1 4.45Å; L59-L79 HydrophobicContact CD2-CD2 3.67Å; F63-L79 HydrophobicContact CZ-CD1 4.41Å; V76-L79 WeakPolarHBondContact O-CB 3.42Å; V76-L79 WeakPolarHBondContact O-CG 3.38Å; V76-L79 PolarHBondContact O-N 3.21Å; L79-F83 HydrophobicContact CB-CE1 3.76Å; L79-F83 HydrophobicContact CB-CZ 3.9Å; L79-F83 HydrophobicContact CD1-CE2 4.48Å; L79-F83 HydrophobicContact CD1-CZ 4.37Å; L79-L85 HydrophobicContact CD1-CD1 3.85Å
80	I	83.7	Confident	90.7	Very high	34 Å²	34	22.2 Å²	22.2	17%	0.174	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.5	175	-54.8	-178.7	0	0	0	108.6	R37 S39 E481	R37-I80 WeakPolarHBondContact CA-O 3.49Å; R37-I80 PolarHBondContact N-O 3.31Å; R37-I80 PolarHBondContact O-N 3.16Å; S39-I80 VanDerWaalsContact CB-CD1 3.46Å; I80-E481 HydrophobicContact CG2-CG 4.16Å; I80-E481 VanDerWaalsContact CG2-OE2 3.3Å; I80-E481 WeakPolarHBondContact CG2-OE2 3.44Å
81	G	85.9	Confident	90.4	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.9	-174.7	172.4	0	0	0	0	0	112.2	Q35 F83 D100 E481	Q35-G81 WeakPolarHBondContact O-CA 3.37Å; G81-F83 WeakPolarHBondContact O-CD1 3.42Å; G81-D100 WeakPolarHBondContact O-CB 3.42Å; G81-E481 WeakPolarHBondContact CA-OE1 3.24Å; G81-E481 PolarHBondContact N-OE1 3.41Å; G81-E481 PolarHBondContact N-OE2 3.22Å
82	S	88.6	Confident	90.2	Very high	13 Å²	13	29.5 Å²	29.5	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122.8	177.7	66.8	0	0	0	0	109.3	G34 Q35 H104 H105	G34-S82 CarbonylContact C-O 3.55Å; G34-S82 WeakPolarHBondContact CA-O 3.44Å; Q35-S82 PolarHBondContact N-O 2.86Å; Q35-S82 PolarHBondContact O-N 2.93Å; S82-H104 VanDerWaalsContact CB-CG 3.44Å; S82-H105 PolarHBondContact OG-NE2 2.89Å
83	F	89.1	Confident	90.1	Very high	5 Å²	5	30.9 Å²	30.9	2%	0.022	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	155.1	177.7	61.1	-95.6	0	0	0	114.7	S33 I36 L79 G81 L85 T98 R99 D100	S33-F83 CarbonylContact O-C 3.58Å; S33-F83 WeakPolarHBondContact O-CA 3.28Å; I36-F83 HydrophobicContact CD1-CB 3.91Å; I36-F83 HydrophobicContact CD1-CG 4.36Å; I36-F83 HydrophobicContact CG1-CB 3.56Å; I36-F83 HydrophobicContact CG1-CD1 4.11Å; I36-F83 HydrophobicContact CG1-CG 4.02Å; L79-F83 HydrophobicContact CB-CE1 3.76Å; L79-F83 HydrophobicContact CB-CZ 3.9Å; L79-F83 HydrophobicContact CD1-CE2 4.48Å; L79-F83 HydrophobicContact CD1-CZ 4.37Å; G81-F83 WeakPolarHBondContact O-CD1 3.42Å; F83-L85 HydrophobicContact CD2-CB 4.23Å; F83-T98 HydrophobicContact CE2-CG2 4.01Å; F83-R99 CarbonylContact O-C 3.58Å; F83-R99 WeakPolarHBondContact O-CA 3.25Å; F83-D100 HydrophobicContact CD1-CB 3.95Å; F83-D100 HydrophobicContact CD2-CB 4.38Å; F83-D100 HydrophobicContact CE1-CB 3.96Å; F83-D100 HydrophobicContact CE2-CB 4.38Å; F83-D100 HydrophobicContact CG-CB 4.16Å; F83-D100 HydrophobicContact CZ-CB 4.18Å; F83-D100 PolarHBondContact N-OD2 2.77Å; F83-D100 PolarHBondContact O-N 3.2Å
84	V	91.6	Very high	90.1	Very high	19 Å²	19	34.8 Å²	34.8	12%	0.115	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.5	156.7	59.2	0	0	0	0	107.9	C32 S33 T98 R99 H105 L107	C32-V84 WeakPolarHBondContact CA-O 3.35Å; S33-V84 PolarHBondContact N-O 3.24Å; S33-V84 PolarHBondContact O-N 2.9Å; V84-T98 WeakPolarHBondContact CA-O 3.34Å; V84-R99 HydrophobicContact CG2-CG 4.45Å; V84-H105 HydrophobicContact CB-CB 4.06Å; V84-H105 HydrophobicContact CG1-CB 3.94Å; V84-L107 HydrophobicContact CG2-CB 3.76Å; V84-L107 HydrophobicContact CG2-CD1 3.87Å; V84-L107 HydrophobicContact CG2-CD2 3.94Å; V84-L107 HydrophobicContact CG2-CG 4.06Å
85	L	92.4	Very high	90.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.9	-174	-173	148.3	0	0	0	110.2	L30 F31 F63 V76 L79 F83 F87 F97 T98	L30-L85 HydrophobicContact CD1-CD1 4.22Å; L30-L85 HydrophobicContact CD1-CD2 4.12Å; L30-L85 HydrophobicContact CD1-CG 3.87Å; F31-L85 CarbonylContact O-C 3.46Å; F31-L85 WeakPolarHBondContact O-CA 3.12Å; F63-L85 HydrophobicContact CE2-CD1 3.83Å; F63-L85 HydrophobicContact CE2-CD2 4.4Å; F63-L85 HydrophobicContact CZ-CD1 3.95Å; V76-L85 HydrophobicContact CG2-CD2 4.35Å; L79-L85 HydrophobicContact CD1-CD1 3.85Å; F83-L85 HydrophobicContact CD2-CB 4.23Å; L85-F87 HydrophobicContact CD2-CB 4.06Å; L85-F97 CarbonylContact O-C 3.48Å; L85-F97 VanDerWaalsContact O-CA 3.22Å; L85-F97 WeakPolarHBondContact O-CA 3.37Å; L85-T98 HydrophobicContact CB-CG2 4.02Å; L85-T98 PolarHBondContact N-O 2.99Å; L85-T98 PolarHBondContact O-N 2.87Å
86	I	94.3	Very high	90.5	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.056	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	109	170	-48.6	167.8	0	0	0	107.4	F2 L30 F31 V88 V95 Y96 F97 L107 I122	F2-I86 HydrophobicContact CE1-CD1 4.09Å; F2-I86 HydrophobicContact CE2-CD1 4.35Å; F2-I86 HydrophobicContact CZ-CD1 3.63Å; L30-I86 CarbonylContact C-O 3.58Å; F31-I86 HydrophobicContact CB-CB 4.05Å; F31-I86 HydrophobicContact CB-CD1 4.4Å; F31-I86 HydrophobicContact CB-CG1 4.48Å; F31-I86 HydrophobicContact CD2-CB 4.22Å; F31-I86 HydrophobicContact CD2-CG2 4.48Å; F31-I86 PolarHBondContact N-O 2.88Å; F31-I86 PolarHBondContact O-N 2.97Å; I86-V88 HydrophobicContact CG2-CG2 4.2Å; I86-V95 HydrophobicContact CG2-CG2 3.63Å; I86-Y96 CarbonylContact C-O 3.53Å; I86-Y96 VanDerWaalsContact CA-O 3.25Å; I86-Y96 WeakPolarHBondContact CA-O 3.48Å; I86-F97 HydrophobicContact CG1-CB 4.22Å; I86-F97 HydrophobicContact CG2-CB 4.32Å; I86-L107 HydrophobicContact CD1-CD1 3.98Å; I86-L107 HydrophobicContact CG1-CD1 4.37Å; I86-I122 HydrophobicContact CD1-CD1 4.37Å; I86-I122 HydrophobicContact CD1-CG2 3.8Å; I86-I122 HydrophobicContact CG1-CD1 4.47Å; I86-I122 HydrophobicContact CG2-CD1 4.35Å
87	F	94.8	Very high	90.7	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.3	173.8	171.2	-121.8	0	0	0	109.4	D28 L30 L60 F63 V72 L85 V95 Y96	D28-F87 HydrophobicContact CB-CE2 3.96Å; D28-F87 HydrophobicContact CB-CZ 4.43Å; L30-F87 HydrophobicContact CD1-CB 3.97Å; L60-F87 HydrophobicContact CD1-CD2 4.15Å; L60-F87 HydrophobicContact CD1-CE2 3.81Å; F63-F87 HydrophobicContact CB-CD1 3.87Å; F63-F87 HydrophobicContact CB-CD2 4.1Å; F63-F87 HydrophobicContact CB-CE1 3.64Å; F63-F87 HydrophobicContact CB-CE2 3.85Å; F63-F87 HydrophobicContact CB-CG 4.12Å; F63-F87 HydrophobicContact CB-CZ 3.62Å; F63-F87 HydrophobicContact CD2-CB 4.24Å; F63-F87 HydrophobicContact CD2-CD1 4.43Å; F63-F87 HydrophobicContact CD2-CD2 4.18Å; F63-F87 HydrophobicContact CD2-CG 4.04Å; F63-F87 HydrophobicContact CG-CD1 4.36Å; F63-F87 HydrophobicContact CG-CG 4.4Å; V72-F87 HydrophobicContact CG1-CD1 4.02Å; V72-F87 HydrophobicContact CG1-CE1 4.33Å; V72-F87 HydrophobicContact CG2-CE1 4.49Å; L85-F87 HydrophobicContact CD2-CB 4.06Å; F87-V95 CarbonylContact O-C 3.57Å; F87-V95 WeakPolarHBondContact O-CA 3.28Å; F87-Y96 HydrophobicContact CB-CD2 4.49Å; F87-Y96 AromaticContact CD1-CD2 3.42Å; F87-Y96 HydrophobicContact CD1-CD2 3.42Å; F87-Y96 VanDerWaalsContact CD1-CD2 3.42Å; F87-Y96 AromaticContact CD1-CE2 3.86Å; F87-Y96 HydrophobicContact CD1-CE2 3.86Å; F87-Y96 HydrophobicContact CD1-CG 4.16Å; F87-Y96 HydrophobicContact CE1-CD2 4.05Å; F87-Y96 HydrophobicContact CE1-CE2 4Å; F87-Y96 HydrophobicContact CG-CD2 4.34Å; F87-Y96 PolarHBondContact N-O 3.43Å; F87-Y96 PolarHBondContact O-N 3.31Å
88	V	94	Very high	90.9	Very high	26 Å²	26	28.5 Å²	28.5	16%	0.158	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.8	178.8	-174.2	0	0	0	0	107.4	D28 I29 I86 I90 V95 I164	D28-V88 WeakPolarHBondContact CA-O 3.33Å; I29-V88 HydrophobicContact CB-CB 4.18Å; I29-V88 PolarHBondContact N-O 3.09Å; I29-V88 PolarHBondContact O-N 3.35Å; I86-V88 HydrophobicContact CG2-CG2 4.2Å; V88-I90 HydrophobicContact CG1-CG1 4.33Å; V88-V95 HydrophobicContact CG2-CG2 3.93Å; V88-I164 HydrophobicContact CG1-CD1 3.59Å
89	S	93.2	Very high	91.3	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.2	168.7	-177.7	0	0	0	0	109.7	D28 G93 R94	D28-S89 WeakPolarHBondContact OD1-CA 3.46Å; D28-S89 VanDerWaalsContact OD1-CB 3.29Å; D28-S89 WeakPolarHBondContact OD1-CB 3.32Å; D28-S89 PolarHBondContact OD1-OG 3.36Å; S89-G93 PolarHBondContact O-N 3.39Å; S89-R94 PolarHBondContact N-O 3Å; S89-R94 PolarHBondContact O-N 2.89Å
90	I	87.4	Confident	91.5	Very high	96 Å²	96	26.8 Å²	26.8	49%	0.492	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-41.3	-176.2	-59.9	173.1	0	0	0	109.8	G27 I29 V88 L92 G93	G27-I90 WeakPolarHBondContact O-CB 3.28Å; G27-I90 WeakPolarHBondContact O-CG1 3.21Å; G27-I90 PolarHBondContact O-N 3.39Å; I29-I90 HydrophobicContact CD1-CD1 4.28Å; V88-I90 HydrophobicContact CG1-CG1 4.33Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 2.92Å; I90-G93 PolarHBondContact O-N 2.93Å
91	E	85.7	Confident	91.9	Very high	180 Å²	180	27.1 Å²	27.1	84%	0.841	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-43.2	179.1	-176.1	176.6	174.4	0	0	111.6	G93	E91-G93 VanDerWaalsContact C-N 3.26Å; E91-G93 PolarHBondContact O-N 2.75Å
92	L	89.4	Confident	92.2	Very high	51 Å²	51	28 Å²	28	27%	0.267	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.1	177.7	-59.9	179	0	0	0	113.1	I90 R94	I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 2.92Å; L92-R94 HydrophobicContact CB-CB 4.37Å; L92-R94 HydrophobicContact CB-CG 4.45Å; L92-R94 WeakPolarHBondContact O-CG 3.41Å; L92-R94 PolarHBondContact O-N 2.89Å
93	G	91.1	Very high	92.3	Very high	28 Å²	28	27.4 Å²	27.4	29%	0.289	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	32.9	-174.7	0	0	0	0	0	113	S89 I90 E91 K163 I164	S89-G93 PolarHBondContact O-N 3.39Å; I90-G93 PolarHBondContact O-N 2.93Å; E91-G93 VanDerWaalsContact C-N 3.26Å; E91-G93 PolarHBondContact O-N 2.75Å; G93-K163 WeakPolarHBondContact O-CA 3.49Å; G93-I164 PolarHBondContact O-N 2.83Å
94	R	93.3	Very high	92.5	Very high	82 Å²	82	27.8 Å²	27.8	31%	0.309	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.5	-171.9	-75.7	-178.8	-173.6	118.4	1.1	112.5	S89 L92 Y96 S162	S89-R94 PolarHBondContact N-O 3Å; S89-R94 PolarHBondContact O-N 2.89Å; L92-R94 HydrophobicContact CB-CB 4.37Å; L92-R94 HydrophobicContact CB-CG 4.45Å; L92-R94 WeakPolarHBondContact O-CG 3.41Å; L92-R94 PolarHBondContact O-N 2.89Å; R94-Y96 HydrophobicContact CB-CE2 4.04Å; R94-S162 WeakPolarHBondContact CA-O 3.05Å
95	V	95	Very high	92.4	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.036	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.9	164.9	67.7	0	0	0	0	109.9	I86 F87 V88 F97 V161 S162 I164 L173	I86-V95 HydrophobicContact CG2-CG2 3.63Å; F87-V95 CarbonylContact O-C 3.57Å; F87-V95 WeakPolarHBondContact O-CA 3.28Å; V88-V95 HydrophobicContact CG2-CG2 3.93Å; V95-F97 HydrophobicContact CG1-CD1 4.11Å; V95-F97 HydrophobicContact CG1-CE1 4.34Å; V95-F97 HydrophobicContact CG2-CD1 4.41Å; V95-V161 WeakPolarHBondContact O-CA 3.48Å; V95-S162 PolarHBondContact N-O 2.77Å; V95-S162 PolarHBondContact O-N 3.09Å; V95-I164 HydrophobicContact CB-CG1 4.29Å; V95-L173 HydrophobicContact CB-CD2 4.5Å; V95-L173 HydrophobicContact CG1-CD1 4.02Å; V95-L173 HydrophobicContact CG1-CD2 3.4Å; V95-L173 HydrophobicContact CG1-CG 4.33Å
96	Y	96.1	Very high	92.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.7	171	-55.5	-104.9	0	0	0	106.4	V69 V72 I86 F87 R94 F160 V161	V69-Y96 HydrophobicContact CG1-CE1 4.15Å; V72-Y96 HydrophobicContact CB-CD1 4.16Å; V72-Y96 HydrophobicContact CB-CE1 3.69Å; V72-Y96 HydrophobicContact CG1-CD1 3.61Å; V72-Y96 HydrophobicContact CG1-CD2 4.17Å; V72-Y96 HydrophobicContact CG1-CE1 3.64Å; V72-Y96 HydrophobicContact CG1-CE2 4.17Å; V72-Y96 HydrophobicContact CG1-CG 3.91Å; V72-Y96 HydrophobicContact CG2-CE1 4.31Å; I86-Y96 CarbonylContact C-O 3.53Å; I86-Y96 VanDerWaalsContact CA-O 3.25Å; I86-Y96 WeakPolarHBondContact CA-O 3.48Å; F87-Y96 HydrophobicContact CB-CD2 4.49Å; F87-Y96 AromaticContact CD1-CD2 3.42Å; F87-Y96 HydrophobicContact CD1-CD2 3.42Å; F87-Y96 VanDerWaalsContact CD1-CD2 3.42Å; F87-Y96 AromaticContact CD1-CE2 3.86Å; F87-Y96 HydrophobicContact CD1-CE2 3.86Å; F87-Y96 HydrophobicContact CD1-CG 4.16Å; F87-Y96 HydrophobicContact CE1-CD2 4.05Å; F87-Y96 HydrophobicContact CE1-CE2 4Å; F87-Y96 HydrophobicContact CG-CD2 4.34Å; F87-Y96 PolarHBondContact N-O 3.43Å; F87-Y96 PolarHBondContact O-N 3.31Å; R94-Y96 HydrophobicContact CB-CE2 4.04Å; Y96-F160 CarbonylContact C-O 3.56Å; Y96-F160 VanDerWaalsContact CA-O 3.28Å; Y96-F160 WeakPolarHBondContact CA-O 3.14Å; Y96-V161 HydrophobicContact CD1-CB 4.35Å; Y96-V161 HydrophobicContact CD1-CG1 4.05Å; Y96-V161 HydrophobicContact CD1-CG2 3.54Å; Y96-V161 HydrophobicContact CE1-CB 4.46Å; Y96-V161 HydrophobicContact CE1-CG1 3.8Å; Y96-V161 HydrophobicContact CE1-CG2 3.81Å; Y96-V161 HydrophobicContact CG-CG2 4.48Å
97	F	95.4	Very high	92.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.4	178.1	60.1	-83	0	0	0	110.9	L85 I86 V95 L107 F120 I122 I154 F160 L173 I176	L85-F97 CarbonylContact O-C 3.48Å; L85-F97 VanDerWaalsContact O-CA 3.22Å; L85-F97 WeakPolarHBondContact O-CA 3.37Å; I86-F97 HydrophobicContact CG1-CB 4.22Å; I86-F97 HydrophobicContact CG2-CB 4.32Å; V95-F97 HydrophobicContact CG1-CD1 4.11Å; V95-F97 HydrophobicContact CG1-CE1 4.34Å; V95-F97 HydrophobicContact CG2-CD1 4.41Å; F97-L107 HydrophobicContact CB-CD2 4.31Å; F97-L107 HydrophobicContact CD2-CD2 4.18Å; F97-F120 HydrophobicContact CZ-CE2 4.22Å; F97-F120 HydrophobicContact CZ-CZ 4.07Å; F97-I122 HydrophobicContact CB-CD1 3.59Å; F97-I122 HydrophobicContact CD1-CD1 3.83Å; F97-I122 HydrophobicContact CD2-CD1 3.8Å; F97-I122 HydrophobicContact CE1-CD1 4.45Å; F97-I122 HydrophobicContact CE2-CD1 4.41Å; F97-I122 HydrophobicContact CG-CD1 3.46Å; F97-I122 VanDerWaalsContact CG-CD1 3.46Å; F97-I154 HydrophobicContact CD2-CG1 4.37Å; F97-I154 HydrophobicContact CD2-CG2 4.08Å; F97-I154 HydrophobicContact CE2-CD1 3.96Å; F97-I154 HydrophobicContact CE2-CG1 4.27Å; F97-I154 HydrophobicContact CE2-CG2 4.07Å; F97-F160 HydrophobicContact CD1-CB 3.9Å; F97-F160 HydrophobicContact CD2-CB 3.76Å; F97-F160 HydrophobicContact CD2-CD2 4.05Å; F97-F160 HydrophobicContact CD2-CG 4.09Å; F97-F160 HydrophobicContact CE1-CB 3.51Å; F97-F160 HydrophobicContact CE1-CG 4.5Å; F97-F160 HydrophobicContact CE2-CB 3.36Å; F97-F160 HydrophobicContact CE2-CD1 4.17Å; F97-F160 AromaticContact CE2-CD2 3.82Å; F97-F160 HydrophobicContact CE2-CD2 3.82Å; F97-F160 AromaticContact CE2-CG 3.52Å; F97-F160 HydrophobicContact CE2-CG 3.52Å; F97-F160 HydrophobicContact CG-CB 4.01Å; F97-F160 HydrophobicContact CZ-CB 3.24Å; F97-F160 HydrophobicContact CZ-CD1 4.22Å; F97-F160 AromaticContact CZ-CG 3.77Å; F97-F160 HydrophobicContact CZ-CG 3.77Å; F97-F160 PolarHBondContact N-O 2.91Å; F97-F160 WeakPolarHBondContact O-CB 3.47Å; F97-F160 PolarHBondContact O-N 2.91Å; F97-L173 HydrophobicContact CD1-CD1 4.16Å; F97-L173 HydrophobicContact CE1-CD1 3.66Å; F97-L173 HydrophobicContact CZ-CD1 4.05Å; F97-I176 HydrophobicContact CZ-CG2 4.41Å
98	T	94.7	Very high	91.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	159	-175.1	-168.8	0	0	0	0	112	V76 F83 V84 L85 G158 I159 W181	V76-T98 HydrophobicContact CG1-CG2 3.77Å; F83-T98 HydrophobicContact CE2-CG2 4.01Å; V84-T98 WeakPolarHBondContact CA-O 3.34Å; L85-T98 HydrophobicContact CB-CG2 4.02Å; L85-T98 PolarHBondContact N-O 2.99Å; L85-T98 PolarHBondContact O-N 2.87Å; T98-G158 PolarHBondContact OG1-O 3.03Å; T98-I159 HydrophobicContact CG2-CG1 4.46Å; T98-W181 WeakPolarHBondContact OG1-CZ2 3.22Å
99	R	94	Very high	91.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.4	161.3	-63.5	165	64.5	-166.5	3.4	107.2	F83 V84 G103 H105 L107 I154 A156 W181 S456	F83-R99 CarbonylContact O-C 3.58Å; F83-R99 WeakPolarHBondContact O-CA 3.25Å; V84-R99 HydrophobicContact CG2-CG 4.45Å; R99-G103 PolarHBondContact NH2-O 2.9Å; R99-H105 PolarHBondContact NE-O 3.34Å; R99-L107 HydrophobicContact CG-CB 3.75Å; R99-I154 WeakPolarHBondContact CD-O 3.37Å; R99-I154 PolarHBondContact NH1-O 2.86Å; R99-A156 HydrophobicContact CB-CB 4.36Å; R99-W181 VanDerWaalsContact O-CZ2 3.28Å; R99-W181 WeakPolarHBondContact O-CZ2 3.37Å; R99-W181 PolarHBondContact O-NE1 3.48Å; R99-S456 PolarHBondContact NH2-O 3.11Å
100	D	92.8	Very high	91.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.148	C	C	.	.			trans	-54.8	168.4	173	72	81.3	0	0	0	112.5	G81 F83 F102 G103 H104	G81-D100 WeakPolarHBondContact O-CB 3.42Å; F83-D100 HydrophobicContact CD1-CB 3.95Å; F83-D100 HydrophobicContact CD2-CB 4.38Å; F83-D100 HydrophobicContact CE1-CB 3.96Å; F83-D100 HydrophobicContact CE2-CB 4.38Å; F83-D100 HydrophobicContact CG-CB 4.16Å; F83-D100 HydrophobicContact CZ-CB 4.18Å; F83-D100 PolarHBondContact N-OD2 2.77Å; F83-D100 PolarHBondContact O-N 3.2Å; D100-F102 PolarHBondContact O-N 2.84Å; D100-F102 VanDerWaalsContact O-N 3.09Å; D100-F102 PolarHBondContact OD1-N 2.99Å; D100-G103 PolarHBondContact O-N 3.06Å; D100-G103 PolarHBondContact OD1-N 3.03Å; D100-H104 VanDerWaalsContact CG-ND1 3.3Å; D100-H104 IonicContact OD1-CE1 2.95Å; D100-H104 IonicContact OD1-CG 3.99Å; D100-H104 IonicContact OD1-ND1 2.71Å; D100-H104 PolarHBondContact OD1-ND1 3.29Å; D100-H104 WeakPolarHBondContact OD2-CB 3.4Å; D100-H104 IonicContact OD2-CG 3.66Å; D100-H104 PolarHBondContact OD2-N 2.74Å; D100-H104 IonicContact OD2-ND1 3.66Å; D100-H104 PolarHBondContact OD2-ND1 3.35Å
101	Q	90.7	Very high	90.8	Very high	41 Å²	41	27.6 Å²	27.6	19%	0.192	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.5	-171.9	-61.7	-175.7	-3.6	0	0	114.2	W181 H185	Q101-W181 HydrophobicContact CB-CG 4.48Å; Q101-W181 HydrophobicContact CG-CB 4.21Å; Q101-W181 HydrophobicContact CG-CD2 3.79Å; Q101-W181 HydrophobicContact CG-CE3 4.23Å; Q101-W181 HydrophobicContact CG-CG 3.78Å; Q101-H185 PolarHBondContact O-NE2 2.81Å; Q101-H185 VanDerWaalsContact O-NE2 3.16Å
102	F	91.6	Very high	90.3	Very high	21 Å²	21	21.1 Å²	21.1	9%	0.092	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-8.7	177.5	-57	-64.1	0	0	0	112.4	D100 H104 S456 L460 L479 E481 V484	D100-F102 PolarHBondContact O-N 2.84Å; D100-F102 VanDerWaalsContact O-N 3.09Å; D100-F102 PolarHBondContact OD1-N 2.99Å; F102-H104 AromaticContact CD2-CE1 3.8Å; F102-S456 WeakPolarHBondContact O-CA 3.4Å; F102-S456 WeakPolarHBondContact O-CB 3.38Å; F102-L460 VanDerWaalsContact O-CD1 3.31Å; F102-L460 WeakPolarHBondContact O-CD1 3.17Å; F102-L479 WeakPolarHBondContact CD2-O 3.11Å; F102-E481 HydrophobicContact CE2-CB 4.38Å; F102-E481 HydrophobicContact CE2-CG 3.95Å; F102-V484 HydrophobicContact CE1-CB 4.22Å; F102-V484 HydrophobicContact CE1-CG1 3.72Å; F102-V484 HydrophobicContact CE1-CG2 4.07Å; F102-V484 HydrophobicContact CE2-CB 4.3Å; F102-V484 HydrophobicContact CE2-CG2 4.06Å; F102-V484 HydrophobicContact CZ-CB 3.67Å; F102-V484 HydrophobicContact CZ-CG1 3.55Å; F102-V484 HydrophobicContact CZ-CG2 3.71Å
103	G	92.3	Very high	89.4	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.			trans	64.6	48.3	-179.9	0	0	0	0	0	112.2	R99 D100 H105 L460	R99-G103 PolarHBondContact NH2-O 2.9Å; D100-G103 PolarHBondContact O-N 3.06Å; D100-G103 PolarHBondContact OD1-N 3.03Å; G103-H105 VanDerWaalsContact C-N 3.25Å; G103-H105 PolarHBondContact O-N 3.42Å; G103-L460 VanDerWaalsContact O-CB 3.26Å; G103-L460 WeakPolarHBondContact O-CB 3.37Å
104	H	92	Very high	88.5	Confident	12 Å²	12	26 Å²	26	6%	0.056	15%	0.152	C	C	.	.			trans	-58.2	-40.5	-179.1	-71.7	86.8	0	0	0	112.6	S82 D100 F102 L479	S82-H104 VanDerWaalsContact CB-CG 3.44Å; D100-H104 VanDerWaalsContact CG-ND1 3.3Å; D100-H104 IonicContact OD1-CE1 2.95Å; D100-H104 IonicContact OD1-CG 3.99Å; D100-H104 IonicContact OD1-ND1 2.71Å; D100-H104 PolarHBondContact OD1-ND1 3.29Å; D100-H104 WeakPolarHBondContact OD2-CB 3.4Å; D100-H104 IonicContact OD2-CG 3.66Å; D100-H104 PolarHBondContact OD2-N 2.74Å; D100-H104 IonicContact OD2-ND1 3.66Å; D100-H104 PolarHBondContact OD2-ND1 3.35Å; F102-H104 AromaticContact CD2-CE1 3.8Å; H104-L479 PolarHBondContact CE1-O 3.08Å; H104-L479 VanDerWaalsContact NE2-CB 3.32Å; H104-L479 WeakPolarHBondContact NE2-CB 3.25Å; H104-L479 PolarHBondContact NE2-O 3.26Å
105	H	90.8	Very high	87.5	Confident	6 Å²	6	24.5 Å²	24.5	3%	0.028	15%	0.15	C	C	.	.	S	Bend	trans	-105	146	-179.1	-60.2	-64.7	0	0	0	111.1	G34 S82 V84 R99 G103 D464	G34-H105 WeakPolarHBondContact CA-NE2 3.39Å; S82-H105 PolarHBondContact OG-NE2 2.89Å; V84-H105 HydrophobicContact CB-CB 4.06Å; V84-H105 HydrophobicContact CG1-CB 3.94Å; R99-H105 PolarHBondContact NE-O 3.34Å; G103-H105 VanDerWaalsContact C-N 3.25Å; G103-H105 PolarHBondContact O-N 3.42Å; H105-D464 WeakPolarHBondContact CA-OD2 3.19Å; H105-D464 IonicContact CE1-OD1 3.5Å; H105-D464 IonicContact CG-OD1 3.57Å; H105-D464 IonicContact ND1-OD1 2.76Å; H105-D464 PolarHBondContact ND1-OD1 2.96Å; H105-D464 IonicContact ND1-OD2 3.17Å
106	S	91	Very high	86.5	Confident	18 Å²	18	27.9 Å²	27.9	13%	0.126	17%	0.172	C	C	.	.			trans	-76.6	143.3	176.8	-177.2	0	0	0	0	111	E153 D464 R465	S106-E153 VanDerWaalsContact CA-OE1 3.31Å; S106-E153 WeakPolarHBondContact CA-OE1 3.38Å; S106-E153 WeakPolarHBondContact CB-OE1 3.43Å; S106-E153 PolarHBondContact OG-OE1 2.89Å; S106-E153 PolarHBondContact OG-OE2 2.79Å; S106-D464 PolarHBondContact N-OD2 2.88Å; S106-R465 PolarHBondContact OG-NH1 2.99Å
107	L	90.9	Very high	85.3	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.052	20%	0.203	C	C	.	.			trans	-139.4	115.6	167.5	-177.7	61.8	0	0	0	107.1	V84 I86 F97 R99 I122 E153 I154	V84-L107 HydrophobicContact CG2-CB 3.76Å; V84-L107 HydrophobicContact CG2-CD1 3.87Å; V84-L107 HydrophobicContact CG2-CD2 3.94Å; V84-L107 HydrophobicContact CG2-CG 4.06Å; I86-L107 HydrophobicContact CD1-CD1 3.98Å; I86-L107 HydrophobicContact CG1-CD1 4.37Å; F97-L107 HydrophobicContact CB-CD2 4.31Å; F97-L107 HydrophobicContact CD2-CD2 4.18Å; R99-L107 HydrophobicContact CG-CB 3.75Å; L107-I122 HydrophobicContact CD1-CG2 3.49Å; L107-I122 VanDerWaalsContact CD1-CG2 3.49Å; L107-I122 HydrophobicContact CG-CG2 4.29Å; L107-E153 PolarHBondContact N-OE1 2.9Å; L107-I154 HydrophobicContact CB-CB 4.13Å; L107-I154 HydrophobicContact CB-CG1 4.32Å; L107-I154 HydrophobicContact CD2-CB 4.01Å; L107-I154 HydrophobicContact CD2-CG1 3.9Å; L107-I154 HydrophobicContact CD2-CG2 4.14Å; L107-I154 HydrophobicContact CG-CB 4.05Å; L107-I154 HydrophobicContact CG-CG1 3.78Å; L107-I154 WeakPolarHBondContact O-CB 3.49Å; L107-I154 PolarHBondContact O-N 2.89Å
108	V	88.5	Confident	84.2	Confident	6 Å²	6	39.7 Å²	39.7	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	152.9	-177.1	-59.7	0	0	0	0	110.8	D123 V125 W151 F152 P375	V108-D123 WeakPolarHBondContact CG2-O 3.18Å; V108-D123 PolarHBondContact O-N 3.18Å; V108-D123 VanDerWaalsContact O-O 3.09Å; V108-V125 HydrophobicContact CG1-CG1 4.3Å; V108-V125 HydrophobicContact CG2-CG1 4.03Å; V108-W151 HydrophobicContact CB-CE3 4.24Å; V108-W151 HydrophobicContact CG2-CE3 3.91Å; V108-W151 HydrophobicContact CG2-CZ3 3.7Å; V108-F152 WeakPolarHBondContact CA-O 3.32Å; V108-P375 HydrophobicContact CG1-CG 4.29Å
109	A	87	Confident	83.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	160.2	173	0	0	0	0	0	110.1	F120 C121 W151 F152 I154	A109-F120 HydrophobicContact CB-CD2 3.62Å; A109-F120 HydrophobicContact CB-CE2 3.94Å; A109-F120 HydrophobicContact CB-CG 4.44Å; A109-C121 CarbonylContact C-O 3.6Å; A109-C121 WeakPolarHBondContact CA-O 3.09Å; A109-C121 VanDerWaalsContact CB-O 3.25Å; A109-C121 WeakPolarHBondContact CB-O 3.41Å; A109-W151 CarbonylContact O-C 3.57Å; A109-W151 VanDerWaalsContact O-CA 3.31Å; A109-W151 WeakPolarHBondContact O-CA 3.38Å; A109-F152 HydrophobicContact CB-CD1 4.34Å; A109-F152 HydrophobicContact CB-CD2 4.38Å; A109-F152 HydrophobicContact CB-CE1 3.73Å; A109-F152 HydrophobicContact CB-CE2 3.79Å; A109-F152 HydrophobicContact CB-CZ 3.43Å; A109-F152 VanDerWaalsContact CB-CZ 3.43Å; A109-F152 PolarHBondContact N-O 2.69Å; A109-F152 PolarHBondContact O-N 3.16Å; A109-I154 HydrophobicContact CB-CD1 3.68Å; A109-I154 HydrophobicContact CB-CG1 4.36Å
110	R	83.2	Confident	83	Confident	75 Å²	75	41.2 Å²	41.2	28%	0.283	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.3	178.3	-179.6	170.8	55	81.5	5.3	110.6	F120 C121 D123 D150 W151	R110-F120 WeakPolarHBondContact O-CA 3.18Å; R110-F120 WeakPolarHBondContact O-CB 3.23Å; R110-C121 PolarHBondContact N-O 2.71Å; R110-C121 PolarHBondContact O-N 2.81Å; R110-C121 PolarHBondContact O-SG 2.84Å; R110-D123 HydrophobicContact CB-CB 4.48Å; R110-D123 IonicContact CZ-OD2 3.61Å; R110-D123 IonicContact NE-OD2 3.05Å; R110-D123 PolarHBondContact NE-OD2 3.33Å; R110-D123 IonicContact NH2-OD2 2.88Å; R110-D123 PolarHBondContact NH2-OD2 3.19Å; R110-D150 CarbonylContact C-O 3.54Å; R110-D150 VanDerWaalsContact CA-O 3.32Å; R110-D150 WeakPolarHBondContact CA-O 3.42Å; R110-D150 HydrophobicContact CG-CB 4.1Å; R110-W151 HydrophobicContact CB-CD2 4.03Å; R110-W151 HydrophobicContact CB-CE3 4.1Å; R110-W151 HydrophobicContact CB-CZ3 4.41Å; R110-W151 HydrophobicContact CG-CD2 4.31Å
111	R	81.6	Confident	82.5	Confident	42 Å²	42	41.6 Å²	41.6	16%	0.158	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	145.4	165.2	-64	-165.7	-175.9	100	3.8	109.3	F120 D150 F152 N192	R111-F120 HydrophobicContact CG-CB 4.39Å; R111-D150 PolarHBondContact N-O 3.22Å; R111-D150 WeakPolarHBondContact O-CB 3.46Å; R111-F152 HydrophobicContact CG-CD1 4.38Å; R111-F152 HydrophobicContact CG-CE1 3.97Å; R111-N192 PolarHBondContact NH2-O 3.21Å
112	V	74.3	Confident	82.3	Confident	44 Å²	44	39.9 Å²	39.9	27%	0.267	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-101.3	117.8	176.5	177.9	0	0	0	0	108.6	G114 L115 F172	V112-G114 PolarHBondContact O-N 2.88Å; V112-L115 HydrophobicContact CB-CD1 4Å; V112-L115 HydrophobicContact CG1-CD1 4.04Å; V112-L115 PolarHBondContact O-N 3.11Å; V112-L115 VanDerWaalsContact O-N 3.12Å; V112-F172 HydrophobicContact CB-CE1 4.2Å; V112-F172 HydrophobicContact CG2-CE1 3.84Å
113	S	71.6	Confident	81.6	Confident	95 Å²	95	39.6 Å²	39.6	66%	0.664	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	126.6	175.3	-81.6	0	0	0	0	111.3	D150	S113-D150 PolarHBondContact OG-OD2 3.02Å; S113-D150 VanDerWaalsContact OG-OD2 3.12Å
114	G	71.6	Confident	80.7	Confident	85 Å²	85	40.3 Å²	40.3	88%	0.876	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.4	-7.3	179.2	0	0	0	0	0	115.5	V112	V112-G114 PolarHBondContact O-N 2.88Å
115	L	72.7	Confident	79.7	Confident	51 Å²	51	40 Å²	40	27%	0.267	24%	0.237	S	C	.	.	S	Bend	trans	-98.7	159.7	170.5	-75.3	169.7	0	0	0	111.4	V112 N117 L119 F172	V112-L115 HydrophobicContact CB-CD1 4Å; V112-L115 HydrophobicContact CG1-CD1 4.04Å; V112-L115 PolarHBondContact O-N 3.11Å; V112-L115 VanDerWaalsContact O-N 3.12Å; L115-N117 PolarHBondContact O-N 2.98Å; L115-L119 HydrophobicContact CB-CD1 4.46Å; L115-L119 HydrophobicContact CD2-CD1 4.27Å; L115-F172 HydrophobicContact CD1-CD1 4.01Å; L115-F172 HydrophobicContact CD1-CE1 3.27Å; L115-F172 HydrophobicContact CD1-CE2 3.99Å; L115-F172 HydrophobicContact CD1-CZ 3.26Å
116	P	73.8	Confident	78.4	Confident	77 Å²	77	40.5 Å²	40.5	50%	0.5	24%	0.241	S	C	.	.			trans	-50.2	139.2	171.9	-26.7	33.6	0	0	0	111.5	E118 L119	P116-E118 PolarHBondContact O-N 3.44Å; P116-L119 HydrophobicContact CG-CD1 4.44Å; P116-L119 PolarHBondContact O-N 2.71Å
117	N	70	Confident	76.9	Confident	123 Å²	123	41.9 Å²	41.9	66%	0.658	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-15.4	-179.3	-74.6	-20.2	0	0	0	114.2	L115 L119	L115-N117 PolarHBondContact O-N 2.98Å; N117-L119 VanDerWaalsContact C-N 3.33Å
118	E	74	Confident	75.6	Confident	126 Å²	126	42.8 Å²	42.8	59%	0.589	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.6	176.6	-58.6	177	178.8	0	0	112.9	P116 P194	P116-E118 PolarHBondContact O-N 3.44Å; E118-P194 HydrophobicContact CB-CG 4.05Å; E118-P194 HydrophobicContact CG-CB 4.2Å; E118-P194 HydrophobicContact CG-CG 3.8Å
119	L	78.2	Confident	74	Confident	31 Å²	31	43.4 Å²	43.4	16%	0.162	26%	0.256	C	S	.	.			trans	-95.4	125.6	178.1	-61.6	-179.6	0	0	0	111	L115 P116 N117 F172 L173	L115-L119 HydrophobicContact CB-CD1 4.46Å; L115-L119 HydrophobicContact CD2-CD1 4.27Å; P116-L119 HydrophobicContact CG-CD1 4.44Å; P116-L119 PolarHBondContact O-N 2.71Å; N117-L119 VanDerWaalsContact C-N 3.33Å; L119-F172 HydrophobicContact CB-CB 4.35Å; L119-F172 HydrophobicContact CB-CD1 4.42Å; L119-F172 HydrophobicContact CD2-CB 4.17Å; L119-L173 WeakPolarHBondContact CA-O 3.47Å; L119-L173 WeakPolarHBondContact CD2-O 3.22Å
120	F	83.6	Confident	72.3	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	167.5	170.7	63	-100.4	0	0	0	111.5	F97 A109 R110 R111 F152 I154 L173 I176 I193	F97-F120 HydrophobicContact CZ-CE2 4.22Å; F97-F120 HydrophobicContact CZ-CZ 4.07Å; A109-F120 HydrophobicContact CB-CD2 3.62Å; A109-F120 HydrophobicContact CB-CE2 3.94Å; A109-F120 HydrophobicContact CB-CG 4.44Å; R110-F120 WeakPolarHBondContact O-CA 3.18Å; R110-F120 WeakPolarHBondContact O-CB 3.23Å; R111-F120 HydrophobicContact CG-CB 4.39Å; F120-F152 HydrophobicContact CB-CE1 4.02Å; F120-F152 HydrophobicContact CB-CZ 4.09Å; F120-F152 HydrophobicContact CD1-CE1 4.35Å; F120-F152 AromaticContact CD1-CZ 3.7Å; F120-F152 HydrophobicContact CD1-CZ 3.7Å; F120-F152 HydrophobicContact CD2-CE1 4.45Å; F120-F152 AromaticContact CD2-CZ 3.78Å; F120-F152 HydrophobicContact CD2-CZ 3.78Å; F120-F152 AromaticContact CE1-CZ 3.85Å; F120-F152 HydrophobicContact CE1-CZ 3.85Å; F120-F152 AromaticContact CE2-CZ 3.98Å; F120-F152 HydrophobicContact CE2-CZ 3.98Å; F120-F152 HydrophobicContact CG-CE1 4.07Å; F120-F152 AromaticContact CG-CZ 3.62Å; F120-F152 HydrophobicContact CG-CZ 3.62Å; F120-F152 HydrophobicContact CZ-CE2 4.41Å; F120-F152 AromaticContact CZ-CZ 3.99Å; F120-F152 HydrophobicContact CZ-CZ 3.99Å; F120-I154 HydrophobicContact CE2-CD1 4.2Å; F120-I154 HydrophobicContact CZ-CD1 4.49Å; F120-L173 HydrophobicContact CD2-CB 4.41Å; F120-L173 HydrophobicContact CD2-CD1 4.27Å; F120-L173 HydrophobicContact CE2-CB 4.34Å; F120-L173 HydrophobicContact CE2-CD1 3.82Å; F120-L173 HydrophobicContact CE2-CG 4.5Å; F120-L173 WeakPolarHBondContact O-CB 3.49Å; F120-L173 PolarHBondContact O-N 3.37Å; F120-I176 HydrophobicContact CD1-CD1 4.01Å; F120-I176 HydrophobicContact CE1-CD1 3.02Å; F120-I176 HydrophobicContact CE2-CD1 4.38Å; F120-I176 HydrophobicContact CZ-CD1 3.27Å; F120-I193 HydrophobicContact CE1-CG2 4.24Å
121	C	84	Confident	70.6	Confident	8 Å²	8	46.2 Å²	46.2	5%	0.054	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.5	170.5	56.6	0	0	0	0	110.3	M1 A109 R110	M1-C121 HydrophobicContact CE-CB 4.36Å; M1-C121 HydrophobicContact SD-CB 3.82Å; A109-C121 CarbonylContact C-O 3.6Å; A109-C121 WeakPolarHBondContact CA-O 3.09Å; A109-C121 VanDerWaalsContact CB-O 3.25Å; A109-C121 WeakPolarHBondContact CB-O 3.41Å; R110-C121 PolarHBondContact N-O 2.71Å; R110-C121 PolarHBondContact O-N 2.81Å; R110-C121 PolarHBondContact O-SG 2.84Å
122	I	84.7	Confident	68.7	Low	6 Å²	6	48.3 Å²	48.3	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.7	165.2	-61.7	170.7	0	0	0	107	M1 F2 I86 F97 L107 L173	M1-I122 WeakPolarHBondContact CG-O 3.29Å; F2-I122 HydrophobicContact CE1-CG2 3.98Å; F2-I122 HydrophobicContact CZ-CB 4.15Å; F2-I122 HydrophobicContact CZ-CG2 3.71Å; I86-I122 HydrophobicContact CD1-CD1 4.37Å; I86-I122 HydrophobicContact CD1-CG2 3.8Å; I86-I122 HydrophobicContact CG1-CD1 4.47Å; I86-I122 HydrophobicContact CG2-CD1 4.35Å; F97-I122 HydrophobicContact CB-CD1 3.59Å; F97-I122 HydrophobicContact CD1-CD1 3.83Å; F97-I122 HydrophobicContact CD2-CD1 3.8Å; F97-I122 HydrophobicContact CE1-CD1 4.45Å; F97-I122 HydrophobicContact CE2-CD1 4.41Å; F97-I122 HydrophobicContact CG-CD1 3.46Å; F97-I122 VanDerWaalsContact CG-CD1 3.46Å; L107-I122 HydrophobicContact CD1-CG2 3.49Å; L107-I122 VanDerWaalsContact CD1-CG2 3.49Å; L107-I122 HydrophobicContact CG-CG2 4.29Å; I122-L173 HydrophobicContact CD1-CD1 3.87Å; I122-L173 HydrophobicContact CG1-CD1 3.82Å
123	D	78.4	Confident	67	Low	15 Å²	15	52.1 Å²	52.1	8%	0.08	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	-177.5	-171.9	-155.4	-24.5	0	0	0	109	V108 R110 N127 W151	V108-D123 WeakPolarHBondContact CG2-O 3.18Å; V108-D123 PolarHBondContact O-N 3.18Å; V108-D123 VanDerWaalsContact O-O 3.09Å; R110-D123 HydrophobicContact CB-CB 4.48Å; R110-D123 IonicContact CZ-OD2 3.61Å; R110-D123 IonicContact NE-OD2 3.05Å; R110-D123 PolarHBondContact NE-OD2 3.33Å; R110-D123 IonicContact NH2-OD2 2.88Å; R110-D123 PolarHBondContact NH2-OD2 3.19Å; D123-N127 PolarHBondContact OD1-ND2 2.92Å; D123-W151 HydrophobicContact CB-CH2 3.75Å; D123-W151 HydrophobicContact CB-CZ3 3.59Å; D123-W151 VanDerWaalsContact CG-CH2 3.47Å
124	S	73.4	Confident	65.7	Low	15 Å²	15	53.9 Å²	53.9	11%	0.105	32%	0.321	C	S	.	.			trans	-129.2	129.7	174	-177.7	0	0	0	0	110	S126 N127	S124-S126 PolarHBondContact O-N 3.2Å; S124-S126 VanDerWaalsContact O-N 3.12Å; S124-S126 PolarHBondContact OG-N 3.03Å; S124-S126 PolarHBondContact OG-OG 2.57Å; S124-N127 WeakPolarHBondContact O-CB 3.39Å; S124-N127 PolarHBondContact O-N 2.77Å
125	V	69.6	Low	64.2	Low	4 Å²	4	54.2 Å²	54.2	2%	0.024	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.3	175.5	-61.5	0	0	0	0	112.3	V108 N127 I128 V129 W151 L372 L374 R465	V108-V125 HydrophobicContact CG1-CG1 4.3Å; V108-V125 HydrophobicContact CG2-CG1 4.03Å; V125-N127 PolarHBondContact O-N 3.22Å; V125-N127 VanDerWaalsContact O-N 3.14Å; V125-I128 WeakPolarHBondContact O-CA 3.24Å; V125-I128 VanDerWaalsContact O-CB 3.28Å; V125-I128 WeakPolarHBondContact O-CB 3.24Å; V125-I128 PolarHBondContact O-N 3.35Å; V125-V129 WeakPolarHBondContact O-CG2 3.43Å; V125-V129 PolarHBondContact O-N 3.28Å; V125-W151 HydrophobicContact CG1-CE3 4.06Å; V125-W151 HydrophobicContact CG1-CZ3 4.14Å; V125-L372 HydrophobicContact CG2-CD2 4.19Å; V125-L374 HydrophobicContact CG1-CB 4.17Å; V125-R465 VanDerWaalsContact CG2-CD 3.44Å; V125-R465 HydrophobicContact CG2-CG 4.3Å
126	S	64.3	Low	62.7	Low	17 Å²	17	56.4 Å²	56.4	12%	0.119	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-18.5	175	54.1	0	0	0	0	112.8	S4 S124 I128 V129 I130	S4-S126 WeakPolarHBondContact CB-OG 3.41Å; S4-S126 PolarHBondContact OG-OG 3.08Å; S124-S126 PolarHBondContact O-N 3.2Å; S124-S126 VanDerWaalsContact O-N 3.12Å; S124-S126 PolarHBondContact OG-N 3.03Å; S124-S126 PolarHBondContact OG-OG 2.57Å; S126-I128 PolarHBondContact O-N 3.27Å; S126-V129 PolarHBondContact O-N 3.07Å; S126-I130 WeakPolarHBondContact O-CB 3.47Å; S126-I130 PolarHBondContact O-N 3.39Å
127	N	59.8	Low	61.3	Low	48 Å²	48	58 Å²	58	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-22.1	168.5	-69.9	-25	0	0	0	113.3	S4 D123 S124 V125	S4-N127 WeakPolarHBondContact CB-OD1 3.28Å; S4-N127 PolarHBondContact OG-OD1 3.32Å; D123-N127 PolarHBondContact OD1-ND2 2.92Å; S124-N127 WeakPolarHBondContact O-CB 3.39Å; S124-N127 PolarHBondContact O-N 2.77Å; V125-N127 PolarHBondContact O-N 3.22Å; V125-N127 VanDerWaalsContact O-N 3.14Å
128	I	62.6	Low	60.6	Low	28 Å²	28	60 Å²	60	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-83.4	-42.8	174	-53.5	173.7	0	0	0	109.5	V125 S126 V139 L144 W151 P371 L374	V125-I128 WeakPolarHBondContact O-CA 3.24Å; V125-I128 VanDerWaalsContact O-CB 3.28Å; V125-I128 WeakPolarHBondContact O-CB 3.24Å; V125-I128 PolarHBondContact O-N 3.35Å; S126-I128 PolarHBondContact O-N 3.27Å; I128-V139 HydrophobicContact CG2-CB 4.43Å; I128-V139 HydrophobicContact CG2-CG1 3.82Å; I128-V139 HydrophobicContact CG2-CG2 3.84Å; I128-V139 WeakPolarHBondContact O-CG2 3.41Å; I128-L144 HydrophobicContact CG2-CD1 3.61Å; I128-W151 HydrophobicContact CD1-CZ2 3.75Å; I128-W151 HydrophobicContact CG1-CZ2 4.04Å; I128-P371 HydrophobicContact CG2-CB 4.07Å; I128-L374 HydrophobicContact CD1-CD1 3.73Å
129	V	55	Low	59.8	Low	20 Å²	20	56.7 Å²	56.7	12%	0.121	33%	0.326	C	S	.	.	H	α-helix	trans	-84.8	-31.9	-167.1	-160.6	0	0	0	0	112.8	V125 S126 P131 H368 P371 L372	V125-V129 WeakPolarHBondContact O-CG2 3.43Å; V125-V129 PolarHBondContact O-N 3.28Å; S126-V129 PolarHBondContact O-N 3.07Å; V129-P131 WeakPolarHBondContact O-CD 3.13Å; V129-H368 HydrophobicContact CG1-CB 4.45Å; V129-P371 HydrophobicContact CB-CB 4.26Å; V129-P371 HydrophobicContact CG1-CB 4.35Å; V129-P371 HydrophobicContact CG2-CB 3.4Å; V129-P371 VanDerWaalsContact CG2-CB 3.4Å; V129-P371 HydrophobicContact CG2-CG 4.5Å; V129-L372 HydrophobicContact CB-CD2 4.47Å; V129-L372 HydrophobicContact CG1-CG 4.35Å; V129-L372 HydrophobicContact CG2-CD2 3.66Å; V129-L372 HydrophobicContact CG2-CG 3.9Å
130	I	52.9	Low	59.2	Low	48 Å²	48	58.3 Å²	58.3	25%	0.246	34%	0.339	C	S	.	.	S	Bend	trans	-103.2	106.4	-176.8	-52.9	178.3	0	0	0	106.6	S126 I132	S126-I130 WeakPolarHBondContact O-CB 3.47Å; S126-I130 PolarHBondContact O-N 3.39Å; I130-I132 PolarHBondContact O-N 3.35Å
131	P	45.6	Very low	58.4	Low	86 Å²	86	60 Å²	60	56%	0.558	35%	0.349	S	S	*	.			trans	-64.8	105.5	174.1	-8.4	23.1	0	0	0	107	V129 Q133	V129-P131 WeakPolarHBondContact O-CD 3.13Å; P131-Q133 PolarHBondContact O-N 2.98Å
132	I	43.1	Very low	57.8	Low	86 Å²	86	65.3 Å²	65.3	44%	0.441	38%	0.376	S	S	.	.	S	Bend	trans	-61.3	-17	-179.1	-67.2	162.2	0	0	0	110.8	S3 I130	S3-I132 WeakPolarHBondContact OG-CD1 3.38Å; I130-I132 PolarHBondContact O-N 3.35Å
133	Q	38.2	Very low	57	Low	123 Å²	123	67.2 Å²	67.2	58%	0.575	39%	0.39	S	S	*	.	S	Bend	trans	-142.7	142.8	171.3	-70.3	175.6	-22.5	0	0	109.7	P131 S135 L136	P131-Q133 PolarHBondContact O-N 2.98Å; Q133-S135 WeakPolarHBondContact CB-OG 3.48Å; Q133-S135 PolarHBondContact O-N 2.82Å; Q133-L136 PolarHBondContact O-N 3.44Å; Q133-L136 VanDerWaalsContact O-N 3.07Å
134	S	43.8	Very low	56.6	Low	133 Å²	133	66.7 Å²	66.7	93%	0.93	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-7.7	174.2	46.9	0	0	0	0	114.3
135	S	40.3	Very low	56.4	Low	92 Å²	92	69.1 Å²	69.1	64%	0.643	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-8.9	177.5	53.2	0	0	0	0	114.7	Q133	Q133-S135 WeakPolarHBondContact CB-OG 3.48Å; Q133-S135 PolarHBondContact O-N 2.82Å
136	L	41.8	Very low	56.6	Low	96 Å²	96	76.7 Å²	76.7	50%	0.503	43%	0.43	S	S	.	.	S	Bend	trans	-76.8	129.3	174.8	-78.9	162.2	0	0	0	109.2	Q133	Q133-L136 PolarHBondContact O-N 3.44Å; Q133-L136 VanDerWaalsContact O-N 3.07Å
137	P	44.1	Very low	56.8	Low	111 Å²	111	78.9 Å²	78.9	72%	0.721	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-59.5	144	-179.7	24	-31.5	0	0	0	110.1	V139	P137-V139 PolarHBondContact O-N 3.05Å
138	E	55.2	Low	57.6	Low	165 Å²	165	77.4 Å²	77.4	77%	0.771	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-46.1	134.9	169.6	-90.6	-176.1	153.8	0	0	109.7	S140	E138-S140 PolarHBondContact O-N 3.24Å
139	V	57.3	Low	58.3	Low	57 Å²	57	84.4 Å²	84.4	35%	0.345	46%	0.464	S	S	.	.			trans	-62.7	107.6	-179.8	179.3	0	0	0	0	107.7	I128 P137 L144	I128-V139 HydrophobicContact CG2-CB 4.43Å; I128-V139 HydrophobicContact CG2-CG1 3.82Å; I128-V139 HydrophobicContact CG2-CG2 3.84Å; I128-V139 WeakPolarHBondContact O-CG2 3.41Å; P137-V139 PolarHBondContact O-N 3.05Å; V139-L144 HydrophobicContact CG1-CB 4.28Å; V139-L144 HydrophobicContact CG1-CD1 3.57Å
140	S	66.1	Low	59.6	Low	64 Å²	64	85.2 Å²	85.2	45%	0.448	47%	0.467	S	S	.	.			trans	-69.5	145.8	174.2	70.8	0	0	0	0	109.9	E138 D142 S143 L144	E138-S140 PolarHBondContact O-N 3.24Å; S140-D142 PolarHBondContact O-N 3.46Å; S140-S143 WeakPolarHBondContact O-CB 3.47Å; S140-S143 PolarHBondContact O-N 2.89Å; S140-S143 WeakPolarHBondContact OG-CB 3.18Å; S140-S143 PolarHBondContact OG-N 3.12Å; S140-L144 PolarHBondContact O-N 2.89Å
141	L	67.2	Low	61.1	Low	39 Å²	39	83.8 Å²	83.8	20%	0.204	46%	0.459	C	S	.	.	H	α-helix	trans	-55.9	-38.5	177.2	-66.5	170.6	0	0	0	112	S143 L144 E145 V366 W370 F554	L141-S143 PolarHBondContact O-N 2.89Å; L141-L144 WeakPolarHBondContact O-CB 3.11Å; L141-L144 PolarHBondContact O-N 3.06Å; L141-E145 PolarHBondContact O-N 3.47Å; L141-V366 HydrophobicContact CD2-CG1 3.85Å; L141-V366 HydrophobicContact CD2-CG2 4.45Å; L141-V366 HydrophobicContact CG-CG1 4.3Å; L141-W370 HydrophobicContact CD1-CZ3 4.11Å; L141-W370 HydrophobicContact CD2-CE3 3.29Å; L141-W370 HydrophobicContact CD2-CZ3 3.29Å; L141-W370 HydrophobicContact CG-CZ3 4.31Å; L141-F554 WeakPolarHBondContact CD1-O 3.47Å; L141-F554 HydrophobicContact CD2-CB 4.37Å
142	D	70.1	Confident	63	Low	119 Å²	119	80 Å²	80	64%	0.636	43%	0.434	S	S	*	.	H	α-helix	trans	-64.4	-39.1	176.9	-63.8	-21.6	0	0	0	112.2	S140 K146	S140-D142 PolarHBondContact O-N 3.46Å; D142-K146 WeakPolarHBondContact O-CB 3.47Å; D142-K146 PolarHBondContact O-N 2.87Å
143	S	68.7	Low	65.1	Low	46 Å²	46	77 Å²	77	32%	0.322	42%	0.418	S	S	.	.	H	α-helix	trans	-66.7	-41.5	174.7	-175.7	0	0	0	0	110.6	S140 L141 K146 N147	S140-S143 WeakPolarHBondContact O-CB 3.47Å; S140-S143 PolarHBondContact O-N 2.89Å; S140-S143 WeakPolarHBondContact OG-CB 3.18Å; S140-S143 PolarHBondContact OG-N 3.12Å; L141-S143 PolarHBondContact O-N 2.89Å; S143-K146 PolarHBondContact O-N 3.47Å; S143-N147 VanDerWaalsContact O-CB 3.31Å; S143-N147 WeakPolarHBondContact O-CB 3.49Å; S143-N147 PolarHBondContact O-N 2.98Å; S143-N147 PolarHBondContact O-ND2 3.06Å; S143-N147 PolarHBondContact OG-ND2 3.47Å
144	L	69.1	Low	67.6	Low	3 Å²	3	71.2 Å²	71.2	2%	0.016	39%	0.391	C	S	.	.	H	α-helix	trans	-60.2	-48.9	176.9	-154.5	86.5	0	0	0	111.3	I128 V139 S140 L141 K146 N147 A148 W370 P371 L374 F554	I128-L144 HydrophobicContact CG2-CD1 3.61Å; V139-L144 HydrophobicContact CG1-CB 4.28Å; V139-L144 HydrophobicContact CG1-CD1 3.57Å; S140-L144 PolarHBondContact O-N 2.89Å; L141-L144 WeakPolarHBondContact O-CB 3.11Å; L141-L144 PolarHBondContact O-N 3.06Å; L144-K146 PolarHBondContact O-N 3.17Å; L144-N147 PolarHBondContact O-N 3.39Å; L144-A148 VanDerWaalsContact O-CB 3.28Å; L144-A148 WeakPolarHBondContact O-CB 3.29Å; L144-A148 PolarHBondContact O-N 3.36Å; L144-W370 HydrophobicContact CD2-CB 4.05Å; L144-P371 HydrophobicContact CD1-CB 3.99Å; L144-P371 HydrophobicContact CD1-CG 3.88Å; L144-P371 HydrophobicContact CD2-CG 4.43Å; L144-L374 HydrophobicContact CD1-CD1 4.09Å; L144-L374 HydrophobicContact CG-CD1 4.08Å; L144-F554 HydrophobicContact CD2-CD1 3.74Å; L144-F554 HydrophobicContact CD2-CE1 3.59Å; L144-F554 HydrophobicContact CD2-CG 4.32Å; L144-F554 HydrophobicContact CD2-CZ 4.02Å
145	E	70.7	Confident	69.9	Low	66 Å²	66	65 Å²	65	31%	0.308	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-44.7	177	-95.3	-178.6	-171.1	0	0	112.8	L141 F554 A555	L141-E145 PolarHBondContact O-N 3.47Å; E145-F554 HydrophobicContact CG-CB 3.77Å; E145-F554 HydrophobicContact CG-CD2 3.45Å; E145-F554 VanDerWaalsContact CG-CD2 3.45Å; E145-F554 HydrophobicContact CG-CE2 4.43Å; E145-F554 HydrophobicContact CG-CG 4.03Å; E145-F554 WeakPolarHBondContact OE1-CA 3.35Å; E145-F554 WeakPolarHBondContact OE1-CB 3.37Å; E145-F554 PolarHBondContact OE1-N 2.99Å; E145-A555 PolarHBondContact OE1-N 3.31Å; E145-A555 VanDerWaalsContact OE1-N 3.07Å
146	K	73	Confident	72.5	Confident	164 Å²	164	60.7 Å²	60.7	71%	0.713	32%	0.317	S	S	*	.	H	α-helix	trans	-65.1	-43.7	-178.8	-171.7	177.5	178.3	-176.9	0	111	D142 S143 L144	D142-K146 WeakPolarHBondContact O-CB 3.47Å; D142-K146 PolarHBondContact O-N 2.87Å; S143-K146 PolarHBondContact O-N 3.47Å; L144-K146 PolarHBondContact O-N 3.17Å
147	N	69.2	Low	74.9	Confident	62 Å²	62	56.1 Å²	56.1	33%	0.332	29%	0.293	S	S	.	.	H	α-helix	trans	-75.4	-30.6	-178.6	-65.2	-28	0	0	0	111.9	S143 L144 K149 D150	S143-N147 VanDerWaalsContact O-CB 3.31Å; S143-N147 WeakPolarHBondContact O-CB 3.49Å; S143-N147 PolarHBondContact O-N 2.98Å; S143-N147 PolarHBondContact O-ND2 3.06Å; S143-N147 PolarHBondContact OG-ND2 3.47Å; L144-N147 PolarHBondContact O-N 3.39Å; N147-K149 PolarHBondContact O-N 3.38Å; N147-D150 WeakPolarHBondContact O-CB 3.38Å; N147-D150 PolarHBondContact O-N 2.9Å
148	A	75.8	Confident	77.3	Confident	17 Å²	17	50.8 Å²	50.8	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-48.9	-39.4	-176.1	0	0	0	0	0	113.7	L144 D150 W151 L374	L144-A148 VanDerWaalsContact O-CB 3.28Å; L144-A148 WeakPolarHBondContact O-CB 3.29Å; L144-A148 PolarHBondContact O-N 3.36Å; A148-D150 PolarHBondContact O-N 3.2Å; A148-W151 PolarHBondContact O-N 3.3Å; A148-L374 HydrophobicContact CB-CD2 3.4Å
149	K	78.2	Confident	79.2	Confident	175 Å²	175	43 Å²	43	76%	0.761	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.4	-179	-64.4	-178.6	-179.2	177	0	114.1	N147	N147-K149 PolarHBondContact O-N 3.38Å
150	D	80.7	Confident	81	Confident	37 Å²	37	40.4 Å²	40.4	20%	0.198	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-21.2	-179.8	-71.7	-11.6	0	0	0	111.3	R110 R111 S113 N147 A148	R110-D150 CarbonylContact C-O 3.54Å; R110-D150 VanDerWaalsContact CA-O 3.32Å; R110-D150 WeakPolarHBondContact CA-O 3.42Å; R110-D150 HydrophobicContact CG-CB 4.1Å; R111-D150 PolarHBondContact N-O 3.22Å; R111-D150 WeakPolarHBondContact O-CB 3.46Å; S113-D150 PolarHBondContact OG-OD2 3.02Å; S113-D150 VanDerWaalsContact OG-OD2 3.12Å; N147-D150 WeakPolarHBondContact O-CB 3.38Å; N147-D150 PolarHBondContact O-N 2.9Å; A148-D150 PolarHBondContact O-N 3.2Å
151	W	84.1	Confident	82.5	Confident	18 Å²	18	37.6 Å²	37.6	7%	0.068	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	145.4	178	-63.7	86.4	0	0	0	111.5	V108 A109 R110 D123 V125 I128 A148 P375	V108-W151 HydrophobicContact CB-CE3 4.24Å; V108-W151 HydrophobicContact CG2-CE3 3.91Å; V108-W151 HydrophobicContact CG2-CZ3 3.7Å; A109-W151 CarbonylContact O-C 3.57Å; A109-W151 VanDerWaalsContact O-CA 3.31Å; A109-W151 WeakPolarHBondContact O-CA 3.38Å; R110-W151 HydrophobicContact CB-CD2 4.03Å; R110-W151 HydrophobicContact CB-CE3 4.1Å; R110-W151 HydrophobicContact CB-CZ3 4.41Å; R110-W151 HydrophobicContact CG-CD2 4.31Å; D123-W151 HydrophobicContact CB-CH2 3.75Å; D123-W151 HydrophobicContact CB-CZ3 3.59Å; D123-W151 VanDerWaalsContact CG-CH2 3.47Å; V125-W151 HydrophobicContact CG1-CE3 4.06Å; V125-W151 HydrophobicContact CG1-CZ3 4.14Å; I128-W151 HydrophobicContact CD1-CZ2 3.75Å; I128-W151 HydrophobicContact CG1-CZ2 4.04Å; A148-W151 PolarHBondContact O-N 3.3Å; W151-P375 HydrophobicContact CB-CB 3.63Å; W151-P375 VanDerWaalsContact O-CB 3.26Å; W151-P375 WeakPolarHBondContact O-CB 3.42Å
152	F	86.1	Confident	83.7	Confident	7 Å²	7	35.8 Å²	35.8	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	152.8	170.8	64.2	-83.3	0	0	0	111.1	V108 A109 R111 F120 I154 I193 P375	V108-F152 WeakPolarHBondContact CA-O 3.32Å; A109-F152 HydrophobicContact CB-CD1 4.34Å; A109-F152 HydrophobicContact CB-CD2 4.38Å; A109-F152 HydrophobicContact CB-CE1 3.73Å; A109-F152 HydrophobicContact CB-CE2 3.79Å; A109-F152 HydrophobicContact CB-CZ 3.43Å; A109-F152 VanDerWaalsContact CB-CZ 3.43Å; A109-F152 PolarHBondContact N-O 2.69Å; A109-F152 PolarHBondContact O-N 3.16Å; R111-F152 HydrophobicContact CG-CD1 4.38Å; R111-F152 HydrophobicContact CG-CE1 3.97Å; F120-F152 HydrophobicContact CB-CE1 4.02Å; F120-F152 HydrophobicContact CB-CZ 4.09Å; F120-F152 HydrophobicContact CD1-CE1 4.35Å; F120-F152 AromaticContact CD1-CZ 3.7Å; F120-F152 HydrophobicContact CD1-CZ 3.7Å; F120-F152 HydrophobicContact CD2-CE1 4.45Å; F120-F152 AromaticContact CD2-CZ 3.78Å; F120-F152 HydrophobicContact CD2-CZ 3.78Å; F120-F152 AromaticContact CE1-CZ 3.85Å; F120-F152 HydrophobicContact CE1-CZ 3.85Å; F120-F152 AromaticContact CE2-CZ 3.98Å; F120-F152 HydrophobicContact CE2-CZ 3.98Å; F120-F152 HydrophobicContact CG-CE1 4.07Å; F120-F152 AromaticContact CG-CZ 3.62Å; F120-F152 HydrophobicContact CG-CZ 3.62Å; F120-F152 HydrophobicContact CZ-CE2 4.41Å; F120-F152 AromaticContact CZ-CZ 3.99Å; F120-F152 HydrophobicContact CZ-CZ 3.99Å; F152-I154 HydrophobicContact CD2-CD1 4.33Å; F152-I154 HydrophobicContact CE2-CD1 3.67Å; F152-I154 HydrophobicContact CZ-CD1 4.39Å; F152-I193 HydrophobicContact CD2-CD1 3.77Å; F152-I193 HydrophobicContact CD2-CG1 4.16Å; F152-I193 HydrophobicContact CE2-CD1 3.64Å; F152-I193 HydrophobicContact CE2-CG1 3.99Å; F152-P375 VanDerWaalsContact CA-CB 3.4Å
153	E	88.3	Confident	84.8	Confident	24 Å²	24	35.3 Å²	35.3	11%	0.112	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	134.8	178	-171.4	86.6	-130	0	0	107.8	S106 L107 P155 P375 R465	S106-E153 VanDerWaalsContact CA-OE1 3.31Å; S106-E153 WeakPolarHBondContact CA-OE1 3.38Å; S106-E153 WeakPolarHBondContact CB-OE1 3.43Å; S106-E153 PolarHBondContact OG-OE1 2.89Å; S106-E153 PolarHBondContact OG-OE2 2.79Å; L107-E153 PolarHBondContact N-OE1 2.9Å; E153-P155 WeakPolarHBondContact O-CD 2.91Å; E153-P375 HydrophobicContact CB-CG 3.93Å; E153-R465 IonicContact OE1-NH1 3.71Å; E153-R465 IonicContact OE2-CZ 2.65Å; E153-R465 IonicContact OE2-NH1 3.3Å; E153-R465 PolarHBondContact OE2-NH1 2.93Å; E153-R465 IonicContact OE2-NH2 3.19Å
154	I	91	Very high	85.8	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-66.3	117.3	165.7	-58.1	-52.1	0	0	0	107.2	F97 R99 L107 A109 F120 F152 F160	F97-I154 HydrophobicContact CD2-CG1 4.37Å; F97-I154 HydrophobicContact CD2-CG2 4.08Å; F97-I154 HydrophobicContact CE2-CD1 3.96Å; F97-I154 HydrophobicContact CE2-CG1 4.27Å; F97-I154 HydrophobicContact CE2-CG2 4.07Å; R99-I154 WeakPolarHBondContact CD-O 3.37Å; R99-I154 PolarHBondContact NH1-O 2.86Å; L107-I154 HydrophobicContact CB-CB 4.13Å; L107-I154 HydrophobicContact CB-CG1 4.32Å; L107-I154 HydrophobicContact CD2-CB 4.01Å; L107-I154 HydrophobicContact CD2-CG1 3.9Å; L107-I154 HydrophobicContact CD2-CG2 4.14Å; L107-I154 HydrophobicContact CG-CB 4.05Å; L107-I154 HydrophobicContact CG-CG1 3.78Å; L107-I154 WeakPolarHBondContact O-CB 3.49Å; L107-I154 PolarHBondContact O-N 2.89Å; A109-I154 HydrophobicContact CB-CD1 3.68Å; A109-I154 HydrophobicContact CB-CG1 4.36Å; F120-I154 HydrophobicContact CE2-CD1 4.2Å; F120-I154 HydrophobicContact CZ-CD1 4.49Å; F152-I154 HydrophobicContact CD2-CD1 4.33Å; F152-I154 HydrophobicContact CE2-CD1 3.67Å; F152-I154 HydrophobicContact CZ-CD1 4.39Å; I154-F160 HydrophobicContact CG2-CD2 3.88Å; I154-F160 HydrophobicContact CG2-CE2 3.54Å; I154-F160 HydrophobicContact CG2-CZ 4.19Å
155	P	92.2	Very high	86.6	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.019	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-67.4	146.6	-177.2	32.2	-39.8	0	0	0	109.8	E153 C157 F160 L188 P190 I193	E153-P155 WeakPolarHBondContact O-CD 2.91Å; P155-C157 HydrophobicContact CB-CB 4.4Å; P155-C157 PolarHBondContact O-N 3.26Å; P155-F160 HydrophobicContact CG-CE2 4.47Å; P155-F160 HydrophobicContact CG-CZ 3.78Å; P155-L188 WeakPolarHBondContact CB-O 3.49Å; P155-P190 HydrophobicContact CB-CG 4.5Å; P155-P190 HydrophobicContact CG-CG 4.27Å; P155-I193 HydrophobicContact CG-CD1 4.22Å
156	A	93.1	Very high	87.1	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	43.1	175.2	0	0	0	0	0	111.9	R99 H185	R99-A156 HydrophobicContact CB-CB 4.36Å; A156-H185 PolarHBondContact O-CD2 2.98Å; A156-H185 VanDerWaalsContact O-CD2 3.31Å
157	C	93.2	Very high	87.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-14.8	-173.1	67.7	0	0	0	0	114	P155 F160 P180 W181 H185 L188	P155-C157 HydrophobicContact CB-CB 4.4Å; P155-C157 PolarHBondContact O-N 3.26Å; C157-F160 VanDerWaalsContact SG-CZ 3.52Å; C157-P180 CarbonylContact O-C 3.52Å; C157-P180 WeakPolarHBondContact O-CA 3.3Å; C157-W181 VanDerWaalsContact C-CD1 3.42Å; C157-W181 PolarHBondContact O-N 3.33Å; C157-H185 HydrophobicContact CB-CB 4.46Å; C157-H185 VanDerWaalsContact CB-O 3.24Å; C157-H185 WeakPolarHBondContact CB-O 3.29Å; C157-H185 WeakPolarHBondContact O-CB 3.17Å; C157-L188 HydrophobicContact CB-CB 3.92Å
158	G	94.4	Very high	87.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-162.5	-178.4	0	0	0	0	0	114.3	T98 Y179	T98-G158 PolarHBondContact OG1-O 3.03Å; G158-Y179 CarbonylContact C-O 3.58Å; G158-Y179 VanDerWaalsContact CA-O 3.22Å; G158-Y179 WeakPolarHBondContact CA-O 3.32Å
159	I	95.6	Very high	87.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.1	175.6	-56.1	162.7	0	0	0	108.6	V73 V76 N77 T98 Y179 W181 L201	V73-I159 HydrophobicContact CG1-CD1 4.03Å; V73-I159 HydrophobicContact CG2-CG2 4.3Å; V73-I159 WeakPolarHBondContact O-CD1 3.48Å; V76-I159 HydrophobicContact CB-CD1 3.71Å; V76-I159 HydrophobicContact CB-CG1 4.41Å; V76-I159 HydrophobicContact CG1-CD1 3.56Å; V76-I159 HydrophobicContact CG1-CG1 3.79Å; N77-I159 HydrophobicContact CB-CD1 4.26Å; T98-I159 HydrophobicContact CG2-CG1 4.46Å; I159-Y179 PolarHBondContact N-O 3.06Å; I159-Y179 PolarHBondContact O-N 2.9Å; I159-W181 HydrophobicContact CD1-CH2 3.82Å; I159-W181 HydrophobicContact CD1-CZ3 3.72Å; I159-W181 HydrophobicContact CG1-CH2 3.43Å; I159-W181 VanDerWaalsContact CG1-CH2 3.43Å; I159-W181 HydrophobicContact CG1-CZ2 4.04Å; I159-W181 HydrophobicContact CG1-CZ3 3.73Å; I159-L201 HydrophobicContact CD1-CD1 3.86Å; I159-L201 HydrophobicContact CG1-CD1 4.41Å
160	F	95.3	Very high	87.4	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.3	175.9	-61.3	-95.6	0	0	0	110.2	Y96 F97 I154 P155 C157 I176 N177 L178 V195	Y96-F160 CarbonylContact C-O 3.56Å; Y96-F160 VanDerWaalsContact CA-O 3.28Å; Y96-F160 WeakPolarHBondContact CA-O 3.14Å; F97-F160 HydrophobicContact CD1-CB 3.9Å; F97-F160 HydrophobicContact CD2-CB 3.76Å; F97-F160 HydrophobicContact CD2-CD2 4.05Å; F97-F160 HydrophobicContact CD2-CG 4.09Å; F97-F160 HydrophobicContact CE1-CB 3.51Å; F97-F160 HydrophobicContact CE1-CG 4.5Å; F97-F160 HydrophobicContact CE2-CB 3.36Å; F97-F160 HydrophobicContact CE2-CD1 4.17Å; F97-F160 AromaticContact CE2-CD2 3.82Å; F97-F160 HydrophobicContact CE2-CD2 3.82Å; F97-F160 AromaticContact CE2-CG 3.52Å; F97-F160 HydrophobicContact CE2-CG 3.52Å; F97-F160 HydrophobicContact CG-CB 4.01Å; F97-F160 HydrophobicContact CZ-CB 3.24Å; F97-F160 HydrophobicContact CZ-CD1 4.22Å; F97-F160 AromaticContact CZ-CG 3.77Å; F97-F160 HydrophobicContact CZ-CG 3.77Å; F97-F160 PolarHBondContact N-O 2.91Å; F97-F160 WeakPolarHBondContact O-CB 3.47Å; F97-F160 PolarHBondContact O-N 2.91Å; I154-F160 HydrophobicContact CG2-CD2 3.88Å; I154-F160 HydrophobicContact CG2-CE2 3.54Å; I154-F160 HydrophobicContact CG2-CZ 4.19Å; P155-F160 HydrophobicContact CG-CE2 4.47Å; P155-F160 HydrophobicContact CG-CZ 3.78Å; C157-F160 VanDerWaalsContact SG-CZ 3.52Å; F160-I176 HydrophobicContact CB-CG2 4.34Å; F160-I176 HydrophobicContact CD1-CG2 3.87Å; F160-N177 CarbonylContact C-O 3.58Å; F160-N177 WeakPolarHBondContact CA-O 3.29Å; F160-L178 HydrophobicContact CD1-CB 4.48Å; F160-L178 HydrophobicContact CD1-CD1 4.1Å; F160-L178 HydrophobicContact CD2-CD1 4.46Å; F160-L178 HydrophobicContact CE1-CB 4.45Å; F160-L178 HydrophobicContact CE1-CD1 3.79Å; F160-L178 HydrophobicContact CE1-CG 4.47Å; F160-L178 HydrophobicContact CE2-CD1 4.15Å; F160-L178 HydrophobicContact CG-CD1 4.42Å; F160-L178 HydrophobicContact CZ-CD1 3.81Å; F160-V195 HydrophobicContact CD1-CG1 4.18Å; F160-V195 HydrophobicContact CE1-CG1 3.97Å
161	V	95.7	Very high	87.3	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.3	175.7	-172.5	0	0	0	0	108.6	V69 V73 V95 Y96 I176 N177 Y179	V69-V161 HydrophobicContact CG1-CB 4.41Å; V69-V161 HydrophobicContact CG1-CG1 3.98Å; V69-V161 HydrophobicContact CG1-CG2 4.07Å; V69-V161 HydrophobicContact CG2-CG1 4.48Å; V73-V161 HydrophobicContact CG2-CG2 3.95Å; V95-V161 WeakPolarHBondContact O-CA 3.48Å; Y96-V161 HydrophobicContact CD1-CB 4.35Å; Y96-V161 HydrophobicContact CD1-CG1 4.05Å; Y96-V161 HydrophobicContact CD1-CG2 3.54Å; Y96-V161 HydrophobicContact CE1-CB 4.46Å; Y96-V161 HydrophobicContact CE1-CG1 3.8Å; Y96-V161 HydrophobicContact CE1-CG2 3.81Å; Y96-V161 HydrophobicContact CG-CG2 4.48Å; V161-I176 WeakPolarHBondContact O-CA 3.38Å; V161-N177 PolarHBondContact N-O 2.93Å; V161-N177 PolarHBondContact O-N 3.47Å; V161-Y179 HydrophobicContact CB-CE2 4.17Å; V161-Y179 HydrophobicContact CG2-CD2 3.87Å; V161-Y179 HydrophobicContact CG2-CE2 3.55Å
162	S	94.1	Very high	87.3	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.3	-175.4	176	0	0	0	0	110.9	R94 V95 L173 S174	R94-S162 WeakPolarHBondContact CA-O 3.05Å; V95-S162 PolarHBondContact N-O 2.77Å; V95-S162 PolarHBondContact O-N 3.09Å; S162-L173 WeakPolarHBondContact OG-CA 3.4Å; S162-L173 VanDerWaalsContact OG-CB 3.28Å; S162-L173 WeakPolarHBondContact OG-CB 3.46Å; S162-S174 PolarHBondContact OG-N 2.89Å; S162-S174 PolarHBondContact OG-O 3.22Å
163	K	92.3	Very high	87.4	Confident	108 Å²	108	37.8 Å²	37.8	47%	0.47	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	149.1	163.3	-67.8	-176.2	-170.5	159.3	0	110.5	G93 S174 D175	G93-K163 WeakPolarHBondContact O-CA 3.49Å; K163-S174 PolarHBondContact N-O 3.15Å; K163-S174 PolarHBondContact O-N 2.93Å; K163-D175 HydrophobicContact CD-CB 4.17Å; K163-D175 WeakPolarHBondContact CD-OD2 3.39Å; K163-D175 VanDerWaalsContact CE-OD2 3.29Å; K163-D175 WeakPolarHBondContact CE-OD2 3.12Å; K163-D175 HydrophobicContact CG-CB 4.27Å; K163-D175 IonicContact NZ-OD2 2.71Å; K163-D175 PolarHBondContact NZ-OD2 3.43Å
164	I	89.1	Confident	87.3	Confident	45 Å²	45	37.6 Å²	37.6	23%	0.231	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.5	173.6	-58.4	170.8	0	0	0	107.8	V88 G93 V95 V171	V88-I164 HydrophobicContact CG1-CD1 3.59Å; G93-I164 PolarHBondContact O-N 2.83Å; V95-I164 HydrophobicContact CB-CG1 4.29Å; I164-V171 HydrophobicContact CG2-CG1 3.67Å
165	V	86.2	Confident	87.2	Confident	54 Å²	54	42.1 Å²	42.1	33%	0.327	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.3	174.2	178.3	0	0	0	0	108.4	V171 F172 S174	V165-V171 WeakPolarHBondContact O-CA 3.45Å; V165-F172 HydrophobicContact CB-CB 4.45Å; V165-F172 PolarHBondContact N-O 2.95Å; V165-F172 PolarHBondContact O-N 3.08Å; V165-S174 WeakPolarHBondContact CG2-OG 3.3Å
166	C	82	Confident	87.2	Confident	95 Å²	95	42.3 Å²	42.3	64%	0.642	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.2	175.5	-61.1	0	0	0	0	108.9	N170	C166-N170 WeakPolarHBondContact CA-O 3.38Å
167	D	77.4	Confident	87.2	Confident	70 Å²	70	44.3 Å²	44.3	37%	0.374	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.8	171.9	177.3	48.8	0	0	0	110.4	G169 N170 F172	D167-G169 PolarHBondContact O-N 2.9Å; D167-G169 VanDerWaalsContact O-N 3.09Å; D167-N170 PolarHBondContact N-O 3.15Å; D167-N170 WeakPolarHBondContact O-CA 3.37Å; D167-N170 WeakPolarHBondContact O-CB 3.43Å; D167-N170 PolarHBondContact O-N 3.19Å; D167-F172 HydrophobicContact CB-CD2 4.32Å; D167-F172 HydrophobicContact CB-CE2 4Å
168	N	76.5	Confident	87.3	Confident	142 Å²	142	44.3 Å²	44.3	76%	0.759	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	38.8	178.8	-63.7	-48.6	0	0	0	114.7	N170	N168-N170 PolarHBondContact O-N 3.32Å
169	G	74.4	Confident	87.4	Confident	78 Å²	78	44.7 Å²	44.7	80%	0.804	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-3.5	-178.8	0	0	0	0	0	115	D167	D167-G169 PolarHBondContact O-N 2.9Å; D167-G169 VanDerWaalsContact O-N 3.09Å
170	N	72.7	Confident	87.3	Confident	93 Å²	93	44.7 Å²	44.7	50%	0.497	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	147.7	170.3	-61.2	-59.7	0	0	0	110.2	C166 D167 N168 F172	C166-N170 WeakPolarHBondContact CA-O 3.38Å; D167-N170 PolarHBondContact N-O 3.15Å; D167-N170 WeakPolarHBondContact O-CA 3.37Å; D167-N170 WeakPolarHBondContact O-CB 3.43Å; D167-N170 PolarHBondContact O-N 3.19Å; N168-N170 PolarHBondContact O-N 3.32Å; N170-F172 HydrophobicContact CB-CD2 4.35Å; N170-F172 HydrophobicContact CB-CE1 4.31Å; N170-F172 HydrophobicContact CB-CE2 3.41Å; N170-F172 VanDerWaalsContact CB-CE2 3.41Å; N170-F172 HydrophobicContact CB-CZ 3.38Å
171	V	79.5	Confident	87.2	Confident	54 Å²	54	44.8 Å²	44.8	33%	0.327	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126	179	175.6	0	0	0	0	108.9	M1 I164 V165	M1-V171 HydrophobicContact CE-CB 3.44Å; M1-V171 VanDerWaalsContact CE-CB 3.44Å; M1-V171 HydrophobicContact CE-CG1 3.81Å; M1-V171 HydrophobicContact CE-CG2 4.49Å; M1-V171 VanDerWaalsContact CE-O 3.29Å; M1-V171 WeakPolarHBondContact CE-O 3.39Å; I164-V171 HydrophobicContact CG2-CG1 3.67Å; V165-V171 WeakPolarHBondContact O-CA 3.45Å
172	F	83.9	Confident	87	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.2	-175.7	-56.4	-78.3	0	0	0	111.2	V112 L115 L119 V165 D167 N170	V112-F172 HydrophobicContact CB-CE1 4.2Å; V112-F172 HydrophobicContact CG2-CE1 3.84Å; L115-F172 HydrophobicContact CD1-CD1 4.01Å; L115-F172 HydrophobicContact CD1-CE1 3.27Å; L115-F172 HydrophobicContact CD1-CE2 3.99Å; L115-F172 HydrophobicContact CD1-CZ 3.26Å; L119-F172 HydrophobicContact CB-CB 4.35Å; L119-F172 HydrophobicContact CB-CD1 4.42Å; L119-F172 HydrophobicContact CD2-CB 4.17Å; V165-F172 HydrophobicContact CB-CB 4.45Å; V165-F172 PolarHBondContact N-O 2.95Å; V165-F172 PolarHBondContact O-N 3.08Å; D167-F172 HydrophobicContact CB-CD2 4.32Å; D167-F172 HydrophobicContact CB-CE2 4Å; N170-F172 HydrophobicContact CB-CD2 4.35Å; N170-F172 HydrophobicContact CB-CE1 4.31Å; N170-F172 HydrophobicContact CB-CE2 3.41Å; N170-F172 VanDerWaalsContact CB-CE2 3.41Å; N170-F172 HydrophobicContact CB-CZ 3.38Å
173	L	88.5	Confident	86.9	Confident	11 Å²	11	51 Å²	51	6%	0.058	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.8	175.6	-57.8	-163	0	0	0	109.7	V95 F97 L119 F120 I122 S162	V95-L173 HydrophobicContact CB-CD2 4.5Å; V95-L173 HydrophobicContact CG1-CD1 4.02Å; V95-L173 HydrophobicContact CG1-CD2 3.4Å; V95-L173 HydrophobicContact CG1-CG 4.33Å; F97-L173 HydrophobicContact CD1-CD1 4.16Å; F97-L173 HydrophobicContact CE1-CD1 3.66Å; F97-L173 HydrophobicContact CZ-CD1 4.05Å; L119-L173 WeakPolarHBondContact CA-O 3.47Å; L119-L173 WeakPolarHBondContact CD2-O 3.22Å; F120-L173 HydrophobicContact CD2-CB 4.41Å; F120-L173 HydrophobicContact CD2-CD1 4.27Å; F120-L173 HydrophobicContact CE2-CB 4.34Å; F120-L173 HydrophobicContact CE2-CD1 3.82Å; F120-L173 HydrophobicContact CE2-CG 4.5Å; F120-L173 WeakPolarHBondContact O-CB 3.49Å; F120-L173 PolarHBondContact O-N 3.37Å; I122-L173 HydrophobicContact CD1-CD1 3.87Å; I122-L173 HydrophobicContact CG1-CD1 3.82Å; S162-L173 WeakPolarHBondContact OG-CA 3.4Å; S162-L173 VanDerWaalsContact OG-CB 3.28Å; S162-L173 WeakPolarHBondContact OG-CB 3.46Å
174	S	86.2	Confident	86.8	Confident	19 Å²	19	50.4 Å²	50.4	13%	0.133	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	165.8	178.9	67.5	0	0	0	0	111.3	S162 K163 V165 I176	S162-S174 PolarHBondContact OG-N 2.89Å; S162-S174 PolarHBondContact OG-O 3.22Å; K163-S174 PolarHBondContact N-O 3.15Å; K163-S174 PolarHBondContact O-N 2.93Å; V165-S174 WeakPolarHBondContact CG2-OG 3.3Å; S174-I176 PolarHBondContact O-N 2.84Å
175	D	88.1	Confident	87	Confident	97 Å²	97	49.3 Å²	49.3	52%	0.519	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.2	52.5	179.7	-67.4	-25.8	0	0	0	113	K163 N177	K163-D175 HydrophobicContact CD-CB 4.17Å; K163-D175 WeakPolarHBondContact CD-OD2 3.39Å; K163-D175 VanDerWaalsContact CE-OD2 3.29Å; K163-D175 WeakPolarHBondContact CE-OD2 3.12Å; K163-D175 HydrophobicContact CG-CB 4.27Å; K163-D175 IonicContact NZ-OD2 2.71Å; K163-D175 PolarHBondContact NZ-OD2 3.43Å; D175-N177 PolarHBondContact O-N 3.02Å; D175-N177 PolarHBondContact O-ND2 3.04Å
176	I	91.9	Very high	87.2	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.3	-169.1	-52.6	178.4	0	0	0	110.4	F97 F120 F160 V161 S174 V195 K196	F97-I176 HydrophobicContact CZ-CG2 4.41Å; F120-I176 HydrophobicContact CD1-CD1 4.01Å; F120-I176 HydrophobicContact CE1-CD1 3.02Å; F120-I176 HydrophobicContact CE2-CD1 4.38Å; F120-I176 HydrophobicContact CZ-CD1 3.27Å; F160-I176 HydrophobicContact CB-CG2 4.34Å; F160-I176 HydrophobicContact CD1-CG2 3.87Å; V161-I176 WeakPolarHBondContact O-CA 3.38Å; S174-I176 PolarHBondContact O-N 2.84Å; I176-V195 HydrophobicContact CB-CG1 4.23Å; I176-V195 HydrophobicContact CG2-CG1 3.76Å; I176-V195 WeakPolarHBondContact O-CA 3.25Å; I176-K196 PolarHBondContact O-N 2.95Å
177	N	94.3	Very high	87.6	Confident	41 Å²	41	50.2 Å²	50.2	22%	0.219	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.1	170.9	-59.5	-74.4	0	0	0	109.9	F160 V161 D175 Y179 K196	F160-N177 CarbonylContact C-O 3.58Å; F160-N177 WeakPolarHBondContact CA-O 3.29Å; V161-N177 PolarHBondContact N-O 2.93Å; V161-N177 PolarHBondContact O-N 3.47Å; D175-N177 PolarHBondContact O-N 3.02Å; D175-N177 PolarHBondContact O-ND2 3.04Å; N177-Y179 HydrophobicContact CB-CE2 4.22Å; N177-K196 CarbonylContact C-O 3.53Å; N177-K196 VanDerWaalsContact CA-O 3.26Å; N177-K196 WeakPolarHBondContact CA-O 3.08Å
178	L	95.2	Very high	88.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.5	175.8	172.2	61.8	0	0	0	109.8	F160 P180 C189 V195 K196 V197 D198	F160-L178 HydrophobicContact CD1-CB 4.48Å; F160-L178 HydrophobicContact CD1-CD1 4.1Å; F160-L178 HydrophobicContact CD2-CD1 4.46Å; F160-L178 HydrophobicContact CE1-CB 4.45Å; F160-L178 HydrophobicContact CE1-CD1 3.79Å; F160-L178 HydrophobicContact CE1-CG 4.47Å; F160-L178 HydrophobicContact CE2-CD1 4.15Å; F160-L178 HydrophobicContact CG-CD1 4.42Å; F160-L178 HydrophobicContact CZ-CD1 3.81Å; L178-P180 HydrophobicContact CD2-CG 4.2Å; L178-P180 HydrophobicContact CG-CG 4Å; L178-P180 WeakPolarHBondContact O-CD 3.21Å; L178-C189 HydrophobicContact CD2-CB 4.32Å; L178-V195 HydrophobicContact CB-CB 4.12Å; L178-V195 HydrophobicContact CB-CG2 4.12Å; L178-V195 HydrophobicContact CD2-CG2 4.09Å; L178-K196 PolarHBondContact N-O 3.43Å; L178-V197 HydrophobicContact CD2-CG2 4.46Å; L178-D198 PolarHBondContact O-N 2.85Å
179	Y	95.9	Very high	88.7	Confident	9 Å²	9	41.9 Å²	41.9	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	90.9	168.8	-62.1	-92.7	0	0	0	108.3	V69 V73 G158 I159 V161 N177 D198 R199 L201	V69-Y179 HydrophobicContact CG1-CE2 4.16Å; V69-Y179 WeakPolarHBondContact CG1-OH 3.48Å; V73-Y179 HydrophobicContact CG1-CD1 3.86Å; V73-Y179 HydrophobicContact CG1-CD2 4.34Å; V73-Y179 HydrophobicContact CG1-CE1 4.46Å; V73-Y179 HydrophobicContact CG1-CG 3.79Å; V73-Y179 HydrophobicContact CG2-CD1 4.41Å; V73-Y179 HydrophobicContact CG2-CD2 3.77Å; V73-Y179 HydrophobicContact CG2-CE1 4.47Å; V73-Y179 HydrophobicContact CG2-CE2 3.85Å; V73-Y179 HydrophobicContact CG2-CG 4.07Å; G158-Y179 CarbonylContact C-O 3.58Å; G158-Y179 VanDerWaalsContact CA-O 3.22Å; G158-Y179 WeakPolarHBondContact CA-O 3.32Å; I159-Y179 PolarHBondContact N-O 3.06Å; I159-Y179 PolarHBondContact O-N 2.9Å; V161-Y179 HydrophobicContact CB-CE2 4.17Å; V161-Y179 HydrophobicContact CG2-CD2 3.87Å; V161-Y179 HydrophobicContact CG2-CE2 3.55Å; N177-Y179 HydrophobicContact CB-CE2 4.22Å; Y179-D198 HydrophobicContact CD1-CB 4.13Å; Y179-D198 HydrophobicContact CE1-CB 3.66Å; Y179-D198 VanDerWaalsContact CE1-OD1 3.3Å; Y179-D198 WeakPolarHBondContact CE1-OD1 3.35Å; Y179-D198 HydrophobicContact CE2-CB 4.38Å; Y179-R199 HydrophobicContact CD1-CG 3.81Å; Y179-R199 HydrophobicContact CE1-CG 4.06Å; Y179-L201 WeakPolarHBondContact O-CD1 3.14Å
180	P	94.5	Very high	88.7	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	144.3	-173.8	-19	29.9	0	0	0	112.2	C157 L178 S182 L186 V197 R199 V200 L201	C157-P180 CarbonylContact O-C 3.52Å; C157-P180 WeakPolarHBondContact O-CA 3.3Å; L178-P180 HydrophobicContact CD2-CG 4.2Å; L178-P180 HydrophobicContact CG-CG 4Å; L178-P180 WeakPolarHBondContact O-CD 3.21Å; P180-S182 PolarHBondContact O-N 2.77Å; P180-L186 HydrophobicContact CB-CD2 4.02Å; P180-L186 HydrophobicContact CB-CG 4.17Å; P180-L186 HydrophobicContact CG-CD2 3.42Å; P180-L186 VanDerWaalsContact CG-CD2 3.42Å; P180-L186 HydrophobicContact CG-CG 4.02Å; P180-V197 HydrophobicContact CG-CG1 3.92Å; P180-R199 VanDerWaalsContact CD-O 3.3Å; P180-R199 WeakPolarHBondContact CD-O 3.41Å; P180-V200 HydrophobicContact CB-CG2 4.41Å; P180-V200 HydrophobicContact CG-CG2 4.16Å; P180-L201 VanDerWaalsContact O-CB 3.22Å; P180-L201 WeakPolarHBondContact O-CB 3.48Å; P180-L201 VanDerWaalsContact O-CG 3.32Å; P180-L201 WeakPolarHBondContact O-CG 3.43Å; P180-L201 PolarHBondContact O-N 3.38Å
181	W	93.1	Very high	88.5	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.015	24%	0.235	C	C	.	.	S	Bend	trans	-59.7	-31	176.7	-63.4	131.1	0	0	0	113.4	V76 N77 T98 R99 Q101 C157 I159 H185 L201 V203	V76-W181 HydrophobicContact CG1-CH2 4.4Å; N77-W181 HydrophobicContact CB-CZ3 4.39Å; T98-W181 WeakPolarHBondContact OG1-CZ2 3.22Å; R99-W181 VanDerWaalsContact O-CZ2 3.28Å; R99-W181 WeakPolarHBondContact O-CZ2 3.37Å; R99-W181 PolarHBondContact O-NE1 3.48Å; Q101-W181 HydrophobicContact CB-CG 4.48Å; Q101-W181 HydrophobicContact CG-CB 4.21Å; Q101-W181 HydrophobicContact CG-CD2 3.79Å; Q101-W181 HydrophobicContact CG-CE3 4.23Å; Q101-W181 HydrophobicContact CG-CG 3.78Å; C157-W181 VanDerWaalsContact C-CD1 3.42Å; C157-W181 PolarHBondContact O-N 3.33Å; I159-W181 HydrophobicContact CD1-CH2 3.82Å; I159-W181 HydrophobicContact CD1-CZ3 3.72Å; I159-W181 HydrophobicContact CG1-CH2 3.43Å; I159-W181 VanDerWaalsContact CG1-CH2 3.43Å; I159-W181 HydrophobicContact CG1-CZ2 4.04Å; I159-W181 HydrophobicContact CG1-CZ3 3.73Å; W181-H185 HydrophobicContact CB-CB 4.26Å; W181-H185 AromaticContact CD1-CD2 3.86Å; W181-L201 HydrophobicContact CE3-CD1 3.86Å; W181-L201 HydrophobicContact CZ3-CD1 4.07Å; W181-L201 VanDerWaalsContact O-O 3.05Å; W181-V203 VanDerWaalsContact O-CG2 3.24Å; W181-V203 WeakPolarHBondContact O-CG2 3Å
182	S	91.7	Very high	88.1	Confident	18 Å²	18	43.2 Å²	43.2	13%	0.126	24%	0.239	C	C	.	.	S	Bend	trans	-167.8	171.2	176.7	68.4	0	0	0	0	109.5	P180 Q184 H185 V200	P180-S182 PolarHBondContact O-N 2.77Å; S182-Q184 PolarHBondContact O-N 2.78Å; S182-Q184 PolarHBondContact OG-N 3.45Å; S182-Q184 PolarHBondContact OG-OE1 2.91Å; S182-Q184 VanDerWaalsContact OG-OE1 3.09Å; S182-H185 WeakPolarHBondContact O-CB 3.25Å; S182-H185 PolarHBondContact O-N 3.44Å; S182-H185 VanDerWaalsContact O-N 3.08Å; S182-H185 PolarHBondContact OG-N 2.81Å; S182-H185 PolarHBondContact OG-ND1 2.77Å; S182-V200 VanDerWaalsContact C-CG1 3.42Å
183	E	91.2	Very high	87.7	Confident	120 Å²	120	43.4 Å²	43.4	56%	0.561	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-54	-40.2	172.7	-68.4	-62.8	161	0	0	112.8	H185 L186 V200	E183-H185 VanDerWaalsContact C-N 3.26Å; E183-H185 PolarHBondContact O-N 2.73Å; E183-L186 WeakPolarHBondContact O-CB 3.44Å; E183-L186 PolarHBondContact O-N 2.82Å; E183-V200 HydrophobicContact CG-CG1 4.18Å; E183-V200 WeakPolarHBondContact OE1-CG2 3.29Å
184	Q	90.6	Very high	87.2	Confident	96 Å²	96	45.6 Å²	45.6	45%	0.449	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-68.2	-29.1	-177.8	-59.8	86.8	-2.1	0	0	112.4	S182 L186 L187 F449 L453	S182-Q184 PolarHBondContact O-N 2.78Å; S182-Q184 PolarHBondContact OG-N 3.45Å; S182-Q184 PolarHBondContact OG-OE1 2.91Å; S182-Q184 VanDerWaalsContact OG-OE1 3.09Å; Q184-L186 PolarHBondContact O-N 2.74Å; Q184-L187 WeakPolarHBondContact O-CB 3.37Å; Q184-L187 WeakPolarHBondContact O-CG 3.23Å; Q184-L187 PolarHBondContact O-N 2.82Å; Q184-F449 HydrophobicContact CB-CZ 4.13Å; Q184-F449 HydrophobicContact CG-CZ 3.93Å; Q184-L453 HydrophobicContact CB-CD2 4.5Å
185	H	92.5	Very high	87.3	Confident	21 Å²	21	46.3 Å²	46.3	10%	0.097	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-71.4	-17.3	179.6	-77.5	90	0	0	0	112.5	Q101 A156 C157 W181 S182 E183 L187 L188	Q101-H185 PolarHBondContact O-NE2 2.81Å; Q101-H185 VanDerWaalsContact O-NE2 3.16Å; A156-H185 PolarHBondContact O-CD2 2.98Å; A156-H185 VanDerWaalsContact O-CD2 3.31Å; C157-H185 HydrophobicContact CB-CB 4.46Å; C157-H185 VanDerWaalsContact CB-O 3.24Å; C157-H185 WeakPolarHBondContact CB-O 3.29Å; C157-H185 WeakPolarHBondContact O-CB 3.17Å; W181-H185 HydrophobicContact CB-CB 4.26Å; W181-H185 AromaticContact CD1-CD2 3.86Å; S182-H185 WeakPolarHBondContact O-CB 3.25Å; S182-H185 PolarHBondContact O-N 3.44Å; S182-H185 VanDerWaalsContact O-N 3.08Å; S182-H185 PolarHBondContact OG-N 2.81Å; S182-H185 PolarHBondContact OG-ND1 2.77Å; E183-H185 VanDerWaalsContact C-N 3.26Å; E183-H185 PolarHBondContact O-N 2.73Å; H185-L187 PolarHBondContact O-N 2.91Å; H185-L188 WeakPolarHBondContact O-CB 3.35Å; H185-L188 PolarHBondContact O-N 2.88Å
186	L	91.4	Very high	87.5	Confident	54 Å²	54	48.4 Å²	48.4	28%	0.283	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.3	-27.3	171.1	-72.7	170	0	0	0	112.4	P180 E183 Q184 L188 C189 V197 V200	P180-L186 HydrophobicContact CB-CD2 4.02Å; P180-L186 HydrophobicContact CB-CG 4.17Å; P180-L186 HydrophobicContact CG-CD2 3.42Å; P180-L186 VanDerWaalsContact CG-CD2 3.42Å; P180-L186 HydrophobicContact CG-CG 4.02Å; E183-L186 WeakPolarHBondContact O-CB 3.44Å; E183-L186 PolarHBondContact O-N 2.82Å; Q184-L186 PolarHBondContact O-N 2.74Å; L186-L188 PolarHBondContact O-N 2.96Å; L186-C189 WeakPolarHBondContact O-CB 3.34Å; L186-C189 PolarHBondContact O-N 3Å; L186-C189 VanDerWaalsContact O-N 3.1Å; L186-V197 HydrophobicContact CD2-CG1 4.14Å; L186-V197 HydrophobicContact CD2-CG2 3.91Å; L186-V200 HydrophobicContact CD1-CG2 4.24Å
187	L	91.1	Very high	87.5	Confident	115 Å²	115	51.3 Å²	51.3	60%	0.602	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-65.5	-17.7	175.7	-60.3	175.9	0	0	0	113.4	Q184 H185 L453 F454	Q184-L187 WeakPolarHBondContact O-CB 3.37Å; Q184-L187 WeakPolarHBondContact O-CG 3.23Å; Q184-L187 PolarHBondContact O-N 2.82Å; H185-L187 PolarHBondContact O-N 2.91Å; L187-L453 HydrophobicContact CB-CD2 4.3Å; L187-L453 HydrophobicContact CD1-CD2 3.93Å; L187-F454 HydrophobicContact CB-CZ 4.28Å
188	L	90.3	Very high	87.4	Confident	4 Å²	4	53 Å²	53	2%	0.021	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-89.2	-14.5	176.5	-59.2	-179.6	0	0	0	112.8	P155 C157 H185 L186 P190 L453 F454	P155-L188 WeakPolarHBondContact CB-O 3.49Å; C157-L188 HydrophobicContact CB-CB 3.92Å; H185-L188 WeakPolarHBondContact O-CB 3.35Å; H185-L188 PolarHBondContact O-N 2.88Å; L186-L188 PolarHBondContact O-N 2.96Å; L188-P190 VanDerWaalsContact O-CD 3.25Å; L188-P190 WeakPolarHBondContact O-CD 3.38Å; L188-L453 HydrophobicContact CD1-CD1 4.12Å; L188-L453 WeakPolarHBondContact CD1-O 3.46Å; L188-L453 HydrophobicContact CD2-CG 4.17Å; L188-L453 WeakPolarHBondContact CD2-O 3.34Å; L188-L453 HydrophobicContact CG-CD1 4.24Å; L188-L453 HydrophobicContact CG-CG 4.31Å; L188-F454 HydrophobicContact CD2-CD1 3.46Å; L188-F454 VanDerWaalsContact CD2-CD1 3.46Å; L188-F454 HydrophobicContact CD2-CD2 4.32Å; L188-F454 HydrophobicContact CD2-CE1 3.59Å; L188-F454 HydrophobicContact CD2-CE2 4.43Å; L188-F454 HydrophobicContact CD2-CG 3.86Å; L188-F454 HydrophobicContact CD2-CZ 4.08Å
189	C	85	Confident	87.2	Confident	32 Å²	32	57.6 Å²	57.6	22%	0.216	31%	0.307	C	S	.	.	S	Bend	trans	-70.6	114.4	-179.5	-169.2	0	0	0	0	109.3	L178 L186 V195	L178-C189 HydrophobicContact CD2-CB 4.32Å; L186-C189 WeakPolarHBondContact O-CB 3.34Å; L186-C189 PolarHBondContact O-N 3Å; L186-C189 VanDerWaalsContact O-N 3.1Å; C189-V195 VanDerWaalsContact SG-CG2 3.55Å
190	P	74.5	Confident	86.9	Confident	40 Å²	40	58.6 Å²	58.6	26%	0.26	31%	0.314	S	S	.	.			trans	-77.3	139.5	-177.2	15	-5.3	0	0	0	110	P155 L188 N192 I193	P155-P190 HydrophobicContact CB-CG 4.5Å; P155-P190 HydrophobicContact CG-CG 4.27Å; L188-P190 VanDerWaalsContact O-CD 3.25Å; L188-P190 WeakPolarHBondContact O-CD 3.38Å; P190-N192 WeakPolarHBondContact CB-OD1 3.21Å; P190-N192 PolarHBondContact O-N 2.97Å; P190-I193 HydrophobicContact CG-CD1 3.7Å; P190-I193 HydrophobicContact CG-CG1 3.96Å; P190-I193 PolarHBondContact O-N 3.48Å; P190-I193 VanDerWaalsContact O-N 3.11Å
191	S	69.2	Low	86.6	Confident	137 Å²	137	59 Å²	59	96%	0.958	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.6	-176.9	-29.2	0	0	0	0	114
192	N	70.7	Confident	85.7	Confident	77 Å²	77	66.7 Å²	66.7	41%	0.412	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.8	-177.3	69.7	-7.4	0	0	0	113.6	R111 P190 P194	R111-N192 PolarHBondContact NH2-O 3.21Å; P190-N192 WeakPolarHBondContact CB-OD1 3.21Å; P190-N192 PolarHBondContact O-N 2.97Å; N192-P194 WeakPolarHBondContact O-CD 3.48Å
193	I	75.6	Confident	84.3	Confident	9 Å²	9	68.4 Å²	68.4	5%	0.046	36%	0.362	C	S	.	.	S	Bend	trans	-96.3	113.1	172.3	-51	-179.4	0	0	0	107.3	F120 F152 P155 P190 V195	F120-I193 HydrophobicContact CE1-CG2 4.24Å; F152-I193 HydrophobicContact CD2-CD1 3.77Å; F152-I193 HydrophobicContact CD2-CG1 4.16Å; F152-I193 HydrophobicContact CE2-CD1 3.64Å; F152-I193 HydrophobicContact CE2-CG1 3.99Å; P155-I193 HydrophobicContact CG-CD1 4.22Å; P190-I193 HydrophobicContact CG-CD1 3.7Å; P190-I193 HydrophobicContact CG-CG1 3.96Å; P190-I193 PolarHBondContact O-N 3.48Å; P190-I193 VanDerWaalsContact O-N 3.11Å; I193-V195 VanDerWaalsContact C-N 3.29Å; I193-V195 HydrophobicContact CB-CG1 4.27Å; I193-V195 HydrophobicContact CG2-CG1 3.53Å; I193-V195 PolarHBondContact O-N 3.46Å
194	P	79.2	Confident	82.4	Confident	58 Å²	58	66.2 Å²	66.2	38%	0.377	35%	0.354	S	S	.	.			trans	-74.6	86.7	-179.2	29	-29.7	0	0	0	109	E118 N192	E118-P194 HydrophobicContact CB-CG 4.05Å; E118-P194 HydrophobicContact CG-CB 4.2Å; E118-P194 HydrophobicContact CG-CG 3.8Å; N192-P194 WeakPolarHBondContact O-CD 3.48Å
195	V	87.8	Confident	80.3	Confident	33 Å²	33	68.8 Å²	68.8	20%	0.2	37%	0.366	C	S	.	.			trans	-111.3	142.3	177.2	-59.1	0	0	0	0	111.2	F160 I176 L178 C189 I193	F160-V195 HydrophobicContact CD1-CG1 4.18Å; F160-V195 HydrophobicContact CE1-CG1 3.97Å; I176-V195 HydrophobicContact CB-CG1 4.23Å; I176-V195 HydrophobicContact CG2-CG1 3.76Å; I176-V195 WeakPolarHBondContact O-CA 3.25Å; L178-V195 HydrophobicContact CB-CB 4.12Å; L178-V195 HydrophobicContact CB-CG2 4.12Å; L178-V195 HydrophobicContact CD2-CG2 4.09Å; C189-V195 VanDerWaalsContact SG-CG2 3.55Å; I193-V195 VanDerWaalsContact C-N 3.29Å; I193-V195 HydrophobicContact CB-CG1 4.27Å; I193-V195 HydrophobicContact CG2-CG1 3.53Å; I193-V195 PolarHBondContact O-N 3.46Å
196	K	92	Very high	77.7	Confident	142 Å²	142	73.1 Å²	73.1	62%	0.617	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.4	165.3	-177.8	-179.7	173.6	-168.7	0	108.6	I176 N177 L178 D198	I176-K196 PolarHBondContact O-N 2.95Å; N177-K196 CarbonylContact C-O 3.53Å; N177-K196 VanDerWaalsContact CA-O 3.26Å; N177-K196 WeakPolarHBondContact CA-O 3.08Å; L178-K196 PolarHBondContact N-O 3.43Å; K196-D198 PolarHBondContact O-N 3.41Å
197	V	92.1	Very high	75.4	Confident	67 Å²	67	72.6 Å²	72.6	41%	0.406	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	122.9	171.8	-178.8	0	0	0	0	108.3	L178 P180 L186	L178-V197 HydrophobicContact CD2-CG2 4.46Å; P180-V197 HydrophobicContact CG-CG1 3.92Å; L186-V197 HydrophobicContact CD2-CG1 4.14Å; L186-V197 HydrophobicContact CD2-CG2 3.91Å
198	D	91.6	Very high	72.9	Confident	76 Å²	76	68.7 Å²	68.7	41%	0.406	37%	0.368	S	S	.	.			trans	-91.8	-76.7	-179	-168.7	-79.2	0	0	0	110.6	L178 Y179 K196	L178-D198 PolarHBondContact O-N 2.85Å; Y179-D198 HydrophobicContact CD1-CB 4.13Å; Y179-D198 HydrophobicContact CE1-CB 3.66Å; Y179-D198 VanDerWaalsContact CE1-OD1 3.3Å; Y179-D198 WeakPolarHBondContact CE1-OD1 3.35Å; Y179-D198 HydrophobicContact CE2-CB 4.38Å; K196-D198 PolarHBondContact O-N 3.41Å
199	R	92.5	Very high	70.1	Confident	98 Å²	98	70.5 Å²	70.5	37%	0.37	38%	0.377	S	S	.	.			trans	-139.9	143.4	172.5	66	180	178.8	156.3	8.5	111.4	N70 N74 Y179 P180	N70-R199 PolarHBondContact OD1-NE 3.28Å; N70-R199 PolarHBondContact OD1-NH2 2.89Å; N74-R199 PolarHBondContact OD1-NH2 3.27Å; Y179-R199 HydrophobicContact CD1-CG 3.81Å; Y179-R199 HydrophobicContact CE1-CG 4.06Å; P180-R199 VanDerWaalsContact CD-O 3.3Å; P180-R199 WeakPolarHBondContact CD-O 3.41Å
200	V	87.8	Confident	67.9	Low	30 Å²	30	73.4 Å²	73.4	18%	0.182	40%	0.398	C	S	.	.			trans	-72.2	129.1	171.7	176.1	0	0	0	0	109.1	P180 S182 E183 L186	P180-V200 HydrophobicContact CB-CG2 4.41Å; P180-V200 HydrophobicContact CG-CG2 4.16Å; S182-V200 VanDerWaalsContact C-CG1 3.42Å; E183-V200 HydrophobicContact CG-CG1 4.18Å; E183-V200 WeakPolarHBondContact OE1-CG2 3.29Å; L186-V200 HydrophobicContact CD1-CG2 4.24Å
201	L	89.5	Confident	66.3	Low	7 Å²	7	77.2 Å²	77.2	4%	0.037	42%	0.415	C	S	.	.			trans	-75.1	140.1	176	-57.6	171.5	0	0	0	108.6	V73 N77 I159 Y179 P180 W181	V73-L201 HydrophobicContact CG1-CD1 4.5Å; V73-L201 HydrophobicContact CG1-CD2 3.81Å; N77-L201 HydrophobicContact CB-CD1 4.17Å; I159-L201 HydrophobicContact CD1-CD1 3.86Å; I159-L201 HydrophobicContact CG1-CD1 4.41Å; Y179-L201 WeakPolarHBondContact O-CD1 3.14Å; P180-L201 VanDerWaalsContact O-CB 3.22Å; P180-L201 WeakPolarHBondContact O-CB 3.48Å; P180-L201 VanDerWaalsContact O-CG 3.32Å; P180-L201 WeakPolarHBondContact O-CG 3.43Å; P180-L201 PolarHBondContact O-N 3.38Å; W181-L201 HydrophobicContact CE3-CD1 3.86Å; W181-L201 HydrophobicContact CZ3-CD1 4.07Å; W181-L201 VanDerWaalsContact O-O 3.05Å
202	H	73.4	Confident	64.9	Low	166 Å²	166	72.2 Å²	72.2	77%	0.769	38%	0.38	S	S	*	.			trans	-89.4	109.4	162.2	-67.4	-68.5	0	0	0	106.3	N204	H202-N204 PolarHBondContact O-N 3.48Å; H202-N204 VanDerWaalsContact O-N 3.11Å
203	V	61.6	Low	63.4	Low	55 Å²	55	71.7 Å²	71.7	33%	0.333	39%	0.387	S	S	.	.			trans	-49	125.2	165.8	-175.5	0	0	0	0	106.1	W181 Q205	W181-V203 VanDerWaalsContact O-CG2 3.24Å; W181-V203 WeakPolarHBondContact O-CG2 3Å; V203-Q205 PolarHBondContact O-N 2.84Å
204	N	53.2	Low	61.8	Low	73 Å²	73	79.1 Å²	79.1	39%	0.39	43%	0.426	S	S	.	.			trans	-68.7	82	-174.8	-146	-9.1	0	0	0	108	H202 N206 H207	H202-N204 PolarHBondContact O-N 3.48Å; H202-N204 VanDerWaalsContact O-N 3.11Å; N204-N206 PolarHBondContact O-N 2.76Å; N204-H207 PolarHBondContact ND2-CD2 3.31Å; N204-H207 VanDerWaalsContact ND2-CD2 3.33Å; N204-H207 PolarHBondContact ND2-NE2 3.31Å; N204-H207 PolarHBondContact O-N 3.18Å
205	Q	46.3	Very low	60.3	Low	151 Å²	151	79.1 Å²	79.1	71%	0.706	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.4	-177.6	-69.7	-173.6	4.6	0	0	111.1	V203 H207 N209	V203-Q205 PolarHBondContact O-N 2.84Å; Q205-H207 VanDerWaalsContact C-N 3.29Å; Q205-H207 PolarHBondContact O-N 3.13Å; Q205-N209 VanDerWaalsContact O-CB 3.22Å; Q205-N209 WeakPolarHBondContact O-CB 3.26Å; Q205-N209 PolarHBondContact O-ND2 3.33Å; Q205-N209 VanDerWaalsContact O-ND2 3.15Å
206	N	37.4	Very low	58.8	Low	111 Å²	111	82.9 Å²	82.9	59%	0.594	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.8	-179.1	-68.2	-18.8	0	0	0	114.6	N204 N209 S210	N204-N206 PolarHBondContact O-N 2.76Å; N206-N209 WeakPolarHBondContact O-CB 3.3Å; N206-N209 PolarHBondContact O-N 3.45Å; N206-S210 PolarHBondContact O-N 3.27Å
207	H	41.6	Very low	57.3	Low	44 Å²	44	81.1 Å²	81.1	20%	0.204	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-29.2	-169.9	-64.2	-49.7	0	0	0	115.6	D41 N204 Q205 N209 S210	D41-H207 IonicContact OD2-CE1 3.72Å; D41-H207 PolarHBondContact OD2-CE1 3.28Å; N204-H207 PolarHBondContact ND2-CD2 3.31Å; N204-H207 VanDerWaalsContact ND2-CD2 3.33Å; N204-H207 PolarHBondContact ND2-NE2 3.31Å; N204-H207 PolarHBondContact O-N 3.18Å; Q205-H207 VanDerWaalsContact C-N 3.29Å; Q205-H207 PolarHBondContact O-N 3.13Å; H207-N209 PolarHBondContact O-N 3.27Å; H207-S210 PolarHBondContact O-OG 2.58Å; H207-S210 VanDerWaalsContact O-OG 3.11Å
208	C	39.1	Very low	56	Low	33 Å²	33	78.8 Å²	78.8	22%	0.223	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.8	159.2	-78.5	0	0	0	0	111.3	I211 S212	C208-I211 PolarHBondContact O-N 2.82Å; C208-S212 WeakPolarHBondContact O-CB 3.17Å; C208-S212 PolarHBondContact O-N 3.19Å; C208-S212 PolarHBondContact O-OG 3.04Å
209	N	31.3	Very low	55.2	Low	41 Å²	41	80.2 Å²	80.2	22%	0.219	44%	0.443	C	S	.	.	H	α-helix	trans	-78.9	-14.7	179.8	-89.2	2.9	0	0	0	113.7	Q205 N206 H207 I211 S212 A213	Q205-N209 VanDerWaalsContact O-CB 3.22Å; Q205-N209 WeakPolarHBondContact O-CB 3.26Å; Q205-N209 PolarHBondContact O-ND2 3.33Å; Q205-N209 VanDerWaalsContact O-ND2 3.15Å; N206-N209 WeakPolarHBondContact O-CB 3.3Å; N206-N209 PolarHBondContact O-N 3.45Å; H207-N209 PolarHBondContact O-N 3.27Å; N209-I211 PolarHBondContact O-N 2.78Å; N209-S212 PolarHBondContact O-N 3.12Å; N209-A213 HydrophobicContact CB-CB 3.82Å; N209-A213 WeakPolarHBondContact O-CA 3.42Å; N209-A213 WeakPolarHBondContact O-CB 3.48Å; N209-A213 PolarHBondContact O-N 3.35Å
210	S	39.6	Very low	55.1	Low	93 Å²	93	78.6 Å²	78.6	65%	0.65	44%	0.444	S	S	*	.	H	α-helix	trans	-65.9	-26.8	166.8	56.7	0	0	0	0	111.7	N206 H207	N206-S210 PolarHBondContact O-N 3.27Å; H207-S210 PolarHBondContact O-OG 2.58Å; H207-S210 VanDerWaalsContact O-OG 3.11Å
211	I	41.7	Very low	55.3	Low	121 Å²	121	79.7 Å²	79.7	62%	0.621	45%	0.448	S	S	*	.	H	α-helix	trans	-95.1	-20.9	169.4	-56.8	174.9	0	0	0	111.7	C208 N209	C208-I211 PolarHBondContact O-N 2.82Å; N209-I211 PolarHBondContact O-N 2.78Å
212	S	38.5	Very low	55.5	Low	31 Å²	31	87.1 Å²	87.1	22%	0.217	48%	0.48	C	S	.	.	H	α-helix	trans	-125.3	-5.6	-168.3	-43.9	0	0	0	0	117.9	C208 N209 N214 M215	C208-S212 WeakPolarHBondContact O-CB 3.17Å; C208-S212 PolarHBondContact O-N 3.19Å; C208-S212 PolarHBondContact O-OG 3.04Å; N209-S212 PolarHBondContact O-N 3.12Å; S212-N214 PolarHBondContact O-N 3.29Å; S212-M215 WeakPolarHBondContact O-CB 3.26Å; S212-M215 PolarHBondContact O-N 3.04Å
213	A	40.4	Very low	56.6	Low	67 Å²	67	83.7 Å²	83.7	55%	0.554	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.4	-179.2	0	0	0	0	0	111.9	N209	N209-A213 HydrophobicContact CB-CB 3.82Å; N209-A213 WeakPolarHBondContact O-CA 3.42Å; N209-A213 WeakPolarHBondContact O-CB 3.48Å; N209-A213 PolarHBondContact O-N 3.35Å
214	N	42.2	Very low	58.2	Low	164 Å²	164	81.1 Å²	81.1	88%	0.877	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	12	171.1	-74.1	-13.7	0	0	0	112.3	S212 C216	S212-N214 PolarHBondContact O-N 3.29Å; N214-C216 PolarHBondContact O-N 3.49Å
215	M	47.2	Very low	60.2	Low	59 Å²	59	78.6 Å²	78.6	29%	0.291	44%	0.435	S	S	.	.			trans	-74.6	97.5	176.5	-99	167.7	65.4	0	0	109.1	S212 I217 K227 F486	S212-M215 WeakPolarHBondContact O-CB 3.26Å; S212-M215 PolarHBondContact O-N 3.04Å; M215-I217 PolarHBondContact O-N 3.49Å; M215-I217 VanDerWaalsContact O-N 3.17Å; M215-K227 HydrophobicContact CE-CD 4.09Å; M215-K227 VanDerWaalsContact CE-CE 3.43Å; M215-K227 HydrophobicContact CE-CG 4.09Å; M215-K227 VanDerWaalsContact SD-CE 3.54Å; M215-K227 PolarHBondContact SD-NZ 3.25Å; M215-K227 VanDerWaalsContact SD-NZ 3.42Å; M215-F486 HydrophobicContact CE-CD2 4.19Å; M215-F486 HydrophobicContact CE-CE2 4.47Å
216	C	55.2	Low	62.6	Low	111 Å²	111	75.4 Å²	75.4	75%	0.75	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-46.8	122.1	156.3	-150.9	0	0	0	0	107.1	N214 P218	N214-C216 PolarHBondContact O-N 3.49Å; C216-P218 VanDerWaalsContact O-CD 3.25Å; C216-P218 WeakPolarHBondContact O-CD 3.39Å
217	I	61	Low	65.4	Low	105 Å²	105	72.8 Å²	72.8	54%	0.538	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-57.5	117	177.4	-61.8	171.7	0	0	0	105.6	M215 T219	M215-I217 PolarHBondContact O-N 3.49Å; M215-I217 VanDerWaalsContact O-N 3.17Å; I217-T219 WeakPolarHBondContact O-CG2 3.07Å; I217-T219 PolarHBondContact O-N 3.44Å; I217-T219 VanDerWaalsContact O-N 3.12Å
218	P	64.5	Low	68	Low	18 Å²	18	70.7 Å²	70.7	12%	0.117	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-55.2	125.7	-175.8	16.2	-26.8	0	0	0	109.1	C216 E223 V224 F486	C216-P218 VanDerWaalsContact O-CD 3.25Å; C216-P218 WeakPolarHBondContact O-CD 3.39Å; P218-E223 HydrophobicContact CB-CB 3.49Å; P218-E223 VanDerWaalsContact CB-CB 3.49Å; P218-V224 HydrophobicContact CB-CG2 3.84Å; P218-V224 HydrophobicContact CG-CG2 3.83Å; P218-F486 HydrophobicContact CG-CE2 4.2Å
219	T	75	Confident	70.9	Confident	107 Å²	107	69.7 Å²	69.7	66%	0.656	39%	0.386	S	S	*	.			trans	-92.5	-20.1	-168	57.5	0	0	0	0	111.6	I217 E223	I217-T219 WeakPolarHBondContact O-CG2 3.07Å; I217-T219 PolarHBondContact O-N 3.44Å; I217-T219 VanDerWaalsContact O-N 3.12Å; T219-E223 PolarHBondContact N-OE2 2.86Å; T219-E223 PolarHBondContact OG1-OE2 3.42Å
220	T	91.4	Very high	74	Confident	64 Å²	64	71.3 Å²	71.3	39%	0.393	40%	0.395	S	S	.	.	S	Bend	trans	-113	151	-179.8	71.9	0	0	0	0	111.6	K222 E223 V224	T220-K222 PolarHBondContact O-N 3.36Å; T220-E223 PolarHBondContact N-OE2 2.95Å; T220-E223 PolarHBondContact O-N 2.65Å; T220-E223 VanDerWaalsContact O-N 3.15Å; T220-E223 VanDerWaalsContact OG1-CG 3.3Å; T220-E223 WeakPolarHBondContact OG1-CG 3.19Å; T220-E223 PolarHBondContact OG1-N 2.79Å; T220-V224 WeakPolarHBondContact O-CG2 3.35Å; T220-V224 PolarHBondContact O-N 2.88Å; T220-V224 VanDerWaalsContact O-N 3.08Å
221	L	91.7	Very high	76.7	Confident	53 Å²	53	68.1 Å²	68.1	28%	0.277	37%	0.37	S	S	.	.	H	α-helix	trans	-53.8	-38.3	174.9	175.4	63.3	0	0	0	111.9	V224 Q225 F494 F508	L221-V224 PolarHBondContact O-N 3.05Å; L221-Q225 HydrophobicContact CD1-CG 4.13Å; L221-Q225 HydrophobicContact CG-CG 4.31Å; L221-Q225 VanDerWaalsContact CG-NE2 3.27Å; L221-Q225 WeakPolarHBondContact O-CB 3.41Å; L221-Q225 WeakPolarHBondContact O-CG 3.47Å; L221-Q225 PolarHBondContact O-N 3.17Å; L221-F494 HydrophobicContact CB-CD1 4.21Å; L221-F494 HydrophobicContact CB-CE1 3.94Å; L221-F494 HydrophobicContact CD1-CD1 3.79Å; L221-F494 HydrophobicContact CD1-CE1 4.4Å; L221-F508 HydrophobicContact CD1-CD1 4.42Å; L221-F508 HydrophobicContact CD1-CE1 4.07Å; L221-F508 HydrophobicContact CD2-CE1 3.84Å; L221-F508 HydrophobicContact CD2-CZ 4.31Å
222	K	94.1	Very high	79.4	Confident	163 Å²	163	62.4 Å²	62.4	71%	0.709	34%	0.341	S	S	*	.	H	α-helix	trans	-65.7	-41.4	-179.7	-171.5	177.1	-179.9	-177.8	0	112.5	T220 Q225 Q226	T220-K222 PolarHBondContact O-N 3.36Å; K222-Q225 PolarHBondContact O-N 3.26Å; K222-Q226 WeakPolarHBondContact O-CB 3.08Å; K222-Q226 PolarHBondContact O-N 3.23Å
223	E	94.6	Very high	82.2	Confident	94 Å²	94	61.6 Å²	61.6	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-42.9	175.7	-70.2	167.9	171.6	0	0	111.3	P218 T219 T220 Q226 K227	P218-E223 HydrophobicContact CB-CB 3.49Å; P218-E223 VanDerWaalsContact CB-CB 3.49Å; T219-E223 PolarHBondContact N-OE2 2.86Å; T219-E223 PolarHBondContact OG1-OE2 3.42Å; T220-E223 PolarHBondContact N-OE2 2.95Å; T220-E223 PolarHBondContact O-N 2.65Å; T220-E223 VanDerWaalsContact O-N 3.15Å; T220-E223 VanDerWaalsContact OG1-CG 3.3Å; T220-E223 WeakPolarHBondContact OG1-CG 3.19Å; T220-E223 PolarHBondContact OG1-N 2.79Å; E223-Q226 PolarHBondContact O-N 3.46Å; E223-K227 VanDerWaalsContact O-CB 3.29Å; E223-K227 WeakPolarHBondContact O-CB 3.26Å; E223-K227 PolarHBondContact O-N 2.92Å
224	V	95.3	Very high	84.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-45.3	176.9	177.8	0	0	0	0	110.7	P218 T220 L221 F228 F486 I490 F494 L509	P218-V224 HydrophobicContact CB-CG2 3.84Å; P218-V224 HydrophobicContact CG-CG2 3.83Å; T220-V224 WeakPolarHBondContact O-CG2 3.35Å; T220-V224 PolarHBondContact O-N 2.88Å; T220-V224 VanDerWaalsContact O-N 3.08Å; L221-V224 PolarHBondContact O-N 3.05Å; V224-F228 VanDerWaalsContact O-CB 3.29Å; V224-F228 WeakPolarHBondContact O-CB 3.32Å; V224-F228 PolarHBondContact O-N 3.44Å; V224-F486 HydrophobicContact CG1-CE1 4.42Å; V224-F486 HydrophobicContact CG1-CZ 4.07Å; V224-I490 HydrophobicContact CG1-CD1 3.99Å; V224-I490 HydrophobicContact CG1-CG2 4.22Å; V224-F494 HydrophobicContact CG1-CB 4.24Å; V224-F494 HydrophobicContact CG1-CD2 4.38Å; V224-F494 HydrophobicContact CG1-CG 4.32Å; V224-F494 HydrophobicContact CG2-CD2 3.75Å; V224-F494 HydrophobicContact CG2-CE2 3.72Å; V224-F494 HydrophobicContact CG2-CG 4.18Å; V224-F494 HydrophobicContact CG2-CZ 4.14Å; V224-L509 HydrophobicContact CG1-CD1 3.82Å; V224-L509 HydrophobicContact CG1-CD2 3.9Å
225	Q	96.1	Very high	87.4	Confident	21 Å²	21	52.5 Å²	52.5	10%	0.098	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-52.3	176.6	-74.6	164.7	-5.7	0	0	112.1	L221 K222 K227 F228 L229 L509 Q512 V513 M516	L221-Q225 HydrophobicContact CD1-CG 4.13Å; L221-Q225 HydrophobicContact CG-CG 4.31Å; L221-Q225 VanDerWaalsContact CG-NE2 3.27Å; L221-Q225 WeakPolarHBondContact O-CB 3.41Å; L221-Q225 WeakPolarHBondContact O-CG 3.47Å; L221-Q225 PolarHBondContact O-N 3.17Å; K222-Q225 PolarHBondContact O-N 3.26Å; Q225-K227 PolarHBondContact O-N 3.3Å; Q225-F228 PolarHBondContact O-N 2.82Å; Q225-L229 WeakPolarHBondContact O-CB 3.47Å; Q225-L229 PolarHBondContact O-N 3.43Å; Q225-L509 HydrophobicContact CB-CD1 4.34Å; Q225-L509 HydrophobicContact CG-CD1 3.83Å; Q225-Q512 HydrophobicContact CG-CB 3.88Å; Q225-Q512 VanDerWaalsContact NE2-CG 3.26Å; Q225-V513 HydrophobicContact CB-CG2 4.48Å; Q225-M516 HydrophobicContact CB-SD 3.7Å; Q225-M516 HydrophobicContact CG-SD 4.46Å
226	Q	96.7	Very high	89.8	Confident	83 Å²	83	49.7 Å²	49.7	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-46.5	-179.1	-172.7	62.2	54.4	0	0	110.7	K222 E223 F228 L229 D230 M516	K222-Q226 WeakPolarHBondContact O-CB 3.08Å; K222-Q226 PolarHBondContact O-N 3.23Å; E223-Q226 PolarHBondContact O-N 3.46Å; Q226-F228 VanDerWaalsContact C-N 3.32Å; Q226-F228 PolarHBondContact O-N 3.08Å; Q226-L229 PolarHBondContact O-N 3.27Å; Q226-D230 PolarHBondContact NE2-OD1 3.11Å; Q226-D230 PolarHBondContact O-N 2.89Å; Q226-M516 VanDerWaalsContact OE1-CE 3.25Å
227	K	96.1	Very high	91.7	Very high	57 Å²	57	48.3 Å²	48.3	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-40.1	179.8	-171.3	70.3	-168.5	-168.8	0	112.1	M215 E223 Q225 D230 L231 F486	M215-K227 HydrophobicContact CE-CD 4.09Å; M215-K227 VanDerWaalsContact CE-CE 3.43Å; M215-K227 HydrophobicContact CE-CG 4.09Å; M215-K227 VanDerWaalsContact SD-CE 3.54Å; M215-K227 PolarHBondContact SD-NZ 3.25Å; M215-K227 VanDerWaalsContact SD-NZ 3.42Å; E223-K227 VanDerWaalsContact O-CB 3.29Å; E223-K227 WeakPolarHBondContact O-CB 3.26Å; E223-K227 PolarHBondContact O-N 2.92Å; Q225-K227 PolarHBondContact O-N 3.3Å; K227-D230 PolarHBondContact O-N 3.3Å; K227-L231 HydrophobicContact CG-CD1 4.23Å; K227-L231 WeakPolarHBondContact O-CB 3.49Å; K227-L231 WeakPolarHBondContact O-CG 3.41Å; K227-L231 PolarHBondContact O-N 3.31Å; K227-F486 HydrophobicContact CB-CE2 3.99Å; K227-F486 HydrophobicContact CB-CZ 4.02Å; K227-F486 HydrophobicContact CG-CD2 4.11Å; K227-F486 HydrophobicContact CG-CE2 3.55Å; K227-F486 HydrophobicContact CG-CZ 4.06Å
228	F	97.3	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-44.1	176.5	-175.6	-131.9	0	0	0	111.5	V224 Q225 Q226 L231 L232 I422 L426 Y478 I483 F486 L487 L509 L510 V513	V224-F228 VanDerWaalsContact O-CB 3.29Å; V224-F228 WeakPolarHBondContact O-CB 3.32Å; V224-F228 PolarHBondContact O-N 3.44Å; Q225-F228 PolarHBondContact O-N 2.82Å; Q226-F228 VanDerWaalsContact C-N 3.32Å; Q226-F228 PolarHBondContact O-N 3.08Å; F228-L231 PolarHBondContact O-N 3.15Å; F228-L232 WeakPolarHBondContact O-CB 3.2Å; F228-L232 PolarHBondContact O-N 3.36Å; F228-I422 HydrophobicContact CZ-CD1 4.05Å; F228-L426 HydrophobicContact CE1-CD1 4.29Å; F228-L426 HydrophobicContact CZ-CD1 4.37Å; F228-Y478 HydrophobicContact CZ-CD1 4.49Å; F228-Y478 HydrophobicContact CZ-CE1 4.41Å; F228-I483 HydrophobicContact CD2-CD1 4.36Å; F228-I483 HydrophobicContact CE2-CD1 4.07Å; F228-I483 HydrophobicContact CE2-CG2 3.92Å; F228-F486 HydrophobicContact CB-CD1 4.48Å; F228-F486 HydrophobicContact CB-CE1 3.75Å; F228-F486 HydrophobicContact CB-CZ 4.41Å; F228-F486 HydrophobicContact CD2-CD1 4.11Å; F228-F486 HydrophobicContact CD2-CE1 4.15Å; F228-F486 HydrophobicContact CG-CE1 4.3Å; F228-L487 HydrophobicContact CD2-CD2 4.05Å; F228-L487 HydrophobicContact CE2-CD1 4.05Å; F228-L487 HydrophobicContact CE2-CD2 4.06Å; F228-L487 HydrophobicContact CE2-CG 4.24Å; F228-L487 HydrophobicContact CZ-CD1 4.44Å; F228-L509 HydrophobicContact CB-CD1 4.43Å; F228-L509 HydrophobicContact CB-CD2 4.04Å; F228-L509 HydrophobicContact CB-CG 4.4Å; F228-L509 HydrophobicContact CD1-CD1 4.37Å; F228-L509 HydrophobicContact CD1-CD2 3.76Å; F228-L509 HydrophobicContact CD1-CG 3.69Å; F228-L509 HydrophobicContact CE1-CD2 4.41Å; F228-L509 HydrophobicContact CE1-CG 4.33Å; F228-L509 HydrophobicContact CG-CD2 3.86Å; F228-L509 HydrophobicContact CG-CG 4.23Å; F228-L510 HydrophobicContact CE1-CD1 3.9Å; F228-L510 HydrophobicContact CZ-CD1 4.45Å; F228-V513 HydrophobicContact CD1-CB 4.49Å; F228-V513 HydrophobicContact CD1-CG2 3.77Å
229	L	98.2	Very high	94.2	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.058	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-43.5	176.1	174.9	58.3	0	0	0	111.9	Q225 Q226 L232 S233 L283 V513 M516 L517	Q225-L229 WeakPolarHBondContact O-CB 3.47Å; Q225-L229 PolarHBondContact O-N 3.43Å; Q226-L229 PolarHBondContact O-N 3.27Å; L229-L232 PolarHBondContact O-N 3Å; L229-S233 WeakPolarHBondContact O-CB 3.28Å; L229-S233 PolarHBondContact O-N 3.25Å; L229-S233 PolarHBondContact O-OG 2.88Å; L229-L283 HydrophobicContact CD1-CD2 3.95Å; L229-V513 HydrophobicContact CB-CG1 4.12Å; L229-V513 HydrophobicContact CB-CG2 4.36Å; L229-V513 HydrophobicContact CD1-CG1 3.95Å; L229-V513 HydrophobicContact CG-CG1 4.5Å; L229-M516 HydrophobicContact CD2-CB 4.45Å; L229-M516 HydrophobicContact CD2-CE 3.93Å; L229-L517 HydrophobicContact CD1-CD1 4.29Å; L229-L517 HydrophobicContact CD1-CD2 3.82Å; L229-L517 HydrophobicContact CD1-CG 4.2Å; L229-L517 HydrophobicContact CD2-CD2 4.47Å
230	D	97.7	Very high	95	Very high	76 Å²	76	40.3 Å²	40.3	41%	0.406	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-45.3	178.6	-64.6	-19.3	0	0	0	111.1	Q226 K227 S233 A234	Q226-D230 PolarHBondContact NE2-OD1 3.11Å; Q226-D230 PolarHBondContact O-N 2.89Å; K227-D230 PolarHBondContact O-N 3.3Å; D230-S233 PolarHBondContact O-N 2.84Å; D230-A234 WeakPolarHBondContact O-CB 3.33Å; D230-A234 PolarHBondContact O-N 2.99Å
231	L	96.6	Very high	94.9	Very high	26 Å²	26	43.4 Å²	43.4	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-46.9	177	-74.7	171.9	0	0	0	111.6	K227 F228 S233 A234 V235 R482 I483 F486	K227-L231 HydrophobicContact CG-CD1 4.23Å; K227-L231 WeakPolarHBondContact O-CB 3.49Å; K227-L231 WeakPolarHBondContact O-CG 3.41Å; K227-L231 PolarHBondContact O-N 3.31Å; F228-L231 PolarHBondContact O-N 3.15Å; L231-S233 VanDerWaalsContact C-N 3.28Å; L231-S233 PolarHBondContact O-N 3.42Å; L231-A234 PolarHBondContact O-N 3.42Å; L231-V235 VanDerWaalsContact O-CG2 3.23Å; L231-V235 WeakPolarHBondContact O-CG2 3.5Å; L231-V235 PolarHBondContact O-N 2.89Å; L231-R482 HydrophobicContact CD2-CB 4.43Å; L231-I483 HydrophobicContact CB-CD1 3.8Å; L231-F486 HydrophobicContact CD1-CB 3.55Å; L231-F486 HydrophobicContact CD1-CD1 4.08Å; L231-F486 HydrophobicContact CD1-CD2 3.8Å; L231-F486 HydrophobicContact CD1-CG 3.52Å
232	L	98	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-36.8	179.5	-172.7	62	0	0	0	111.5	F228 L229 V235 I236 V279 L283 P477 Y478 I483	F228-L232 WeakPolarHBondContact O-CB 3.2Å; F228-L232 PolarHBondContact O-N 3.36Å; L229-L232 PolarHBondContact O-N 3Å; L232-V235 PolarHBondContact O-N 3.2Å; L232-I236 HydrophobicContact CD1-CD1 4.32Å; L232-I236 HydrophobicContact CG-CD1 4.21Å; L232-I236 WeakPolarHBondContact O-CG1 3.25Å; L232-I236 PolarHBondContact O-N 3.06Å; L232-V279 HydrophobicContact CD2-CG1 3.73Å; L232-L283 HydrophobicContact CB-CD1 4.18Å; L232-L283 HydrophobicContact CD2-CD1 3.59Å; L232-L283 HydrophobicContact CG-CD1 3.56Å; L232-P477 HydrophobicContact CD1-CB 4.2Å; L232-Y478 HydrophobicContact CD1-CD1 3.87Å; L232-Y478 HydrophobicContact CD1-CE1 3.85Å; L232-Y478 HydrophobicContact CD2-CD1 4.41Å; L232-Y478 HydrophobicContact CD2-CE1 3.63Å; L232-Y478 HydrophobicContact CG-CE1 4.42Å; L232-I483 HydrophobicContact CB-CD1 4.12Å; L232-I483 HydrophobicContact CD1-CD1 4.28Å
233	S	98.1	Very high	94	Very high	14 Å²	14	35 Å²	35	10%	0.098	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-47.9	173.3	-62.2	0	0	0	0	111.2	L229 D230 L231 V235 I236 H237 F287	L229-S233 WeakPolarHBondContact O-CB 3.28Å; L229-S233 PolarHBondContact O-N 3.25Å; L229-S233 PolarHBondContact O-OG 2.88Å; D230-S233 PolarHBondContact O-N 2.84Å; L231-S233 VanDerWaalsContact C-N 3.28Å; L231-S233 PolarHBondContact O-N 3.42Å; S233-V235 VanDerWaalsContact C-N 3.34Å; S233-V235 PolarHBondContact O-N 3.34Å; S233-I236 PolarHBondContact O-N 2.83Å; S233-H237 VanDerWaalsContact O-CB 3.26Å; S233-H237 WeakPolarHBondContact O-CB 3.13Å; S233-H237 PolarHBondContact O-N 2.89Å; S233-F287 WeakPolarHBondContact O-CE2 3.4Å
234	A	95.9	Very high	93.4	Very high	37 Å²	37	32.4 Å²	32.4	31%	0.306	16%	0.161	S	C	.	.	H	α-helix	trans	-62	-40.1	177.3	0	0	0	0	0	112.3	D230 L231 H237 D238	D230-A234 WeakPolarHBondContact O-CB 3.33Å; D230-A234 PolarHBondContact O-N 2.99Å; L231-A234 PolarHBondContact O-N 3.42Å; A234-H237 PolarHBondContact O-N 3.38Å; A234-D238 WeakPolarHBondContact O-CB 3.36Å; A234-D238 PolarHBondContact O-N 2.91Å
235	V	95	Very high	92.5	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-47	177.2	170.1	0	0	0	0	111.9	L231 L232 S233 D238 S239 P477 D480 I483	L231-V235 VanDerWaalsContact O-CG2 3.23Å; L231-V235 WeakPolarHBondContact O-CG2 3.5Å; L231-V235 PolarHBondContact O-N 2.89Å; L232-V235 PolarHBondContact O-N 3.2Å; S233-V235 VanDerWaalsContact C-N 3.34Å; S233-V235 PolarHBondContact O-N 3.34Å; V235-D238 PolarHBondContact O-N 2.71Å; V235-S239 WeakPolarHBondContact O-CB 3.23Å; V235-S239 PolarHBondContact O-N 2.65Å; V235-P477 HydrophobicContact CG1-CB 3.83Å; V235-D480 HydrophobicContact CB-CB 4.41Å; V235-D480 HydrophobicContact CG1-CB 3.58Å; V235-D480 HydrophobicContact CG2-CB 3.86Å; V235-I483 HydrophobicContact CG2-CD1 4.27Å; V235-I483 HydrophobicContact CG2-CG1 3.99Å
236	I	97	Very high	91.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-41.5	179.3	-67.9	173.7	0	0	0	110.4	L232 S233 S239 V240 I280 L283 L284 F287 P477	L232-I236 HydrophobicContact CD1-CD1 4.32Å; L232-I236 HydrophobicContact CG-CD1 4.21Å; L232-I236 WeakPolarHBondContact O-CG1 3.25Å; L232-I236 PolarHBondContact O-N 3.06Å; S233-I236 PolarHBondContact O-N 2.83Å; I236-S239 PolarHBondContact O-N 2.75Å; I236-V240 HydrophobicContact CG2-CG2 4.36Å; I236-V240 WeakPolarHBondContact O-CB 3.45Å; I236-V240 WeakPolarHBondContact O-CG2 3.36Å; I236-V240 PolarHBondContact O-N 2.79Å; I236-I280 HydrophobicContact CD1-CG2 4.32Å; I236-L283 HydrophobicContact CD1-CB 3.47Å; I236-L283 VanDerWaalsContact CD1-CB 3.47Å; I236-L283 HydrophobicContact CD1-CD1 3.68Å; I236-L283 HydrophobicContact CD1-CG 4.22Å; I236-L283 HydrophobicContact CG2-CB 4.44Å; I236-L284 HydrophobicContact CG2-CD2 3.78Å; I236-L284 HydrophobicContact CG2-CG 4.22Å; I236-F287 HydrophobicContact CB-CD2 4.32Å; I236-F287 HydrophobicContact CG2-CD2 3.93Å; I236-P477 HydrophobicContact CD1-CB 4.46Å; I236-P477 HydrophobicContact CG1-CB 3.87Å; I236-P477 HydrophobicContact CG1-CG 4.36Å
237	H	94.8	Very high	89.6	Confident	82 Å²	82	33.6 Å²	33.6	38%	0.38	17%	0.172	S	C	.	.	H	α-helix	trans	-54.1	-54.2	172.9	169.8	-91.1	0	0	0	111.5	S233 A234 S239 V240 Y241 F287	S233-H237 VanDerWaalsContact O-CB 3.26Å; S233-H237 WeakPolarHBondContact O-CB 3.13Å; S233-H237 PolarHBondContact O-N 2.89Å; A234-H237 PolarHBondContact O-N 3.38Å; H237-S239 VanDerWaalsContact C-N 3.31Å; H237-S239 PolarHBondContact O-N 2.97Å; H237-V240 PolarHBondContact O-N 3.33Å; H237-Y241 WeakPolarHBondContact O-CB 3.31Å; H237-Y241 PolarHBondContact O-N 2.85Å; H237-F287 HydrophobicContact CB-CD1 3.77Å; H237-F287 HydrophobicContact CB-CD2 4.1Å; H237-F287 HydrophobicContact CB-CE1 3.82Å; H237-F287 HydrophobicContact CB-CE2 4.15Å; H237-F287 HydrophobicContact CB-CG 3.91Å; H237-F287 HydrophobicContact CB-CZ 4.01Å; H237-F287 AromaticContact CD2-CD1 3.61Å; H237-F287 AromaticContact CD2-CE1 3.97Å
238	D	89.1	Confident	87.6	Confident	51 Å²	51	35.7 Å²	35.7	27%	0.273	19%	0.189	S	C	.	.	H	α-helix	trans	-65	-37.3	-176.5	-65.7	-9.1	0	0	0	111.7	A234 V235 F242 R482	A234-D238 WeakPolarHBondContact O-CB 3.36Å; A234-D238 PolarHBondContact O-N 2.91Å; V235-D238 PolarHBondContact O-N 2.71Å; D238-F242 WeakPolarHBondContact O-CB 3.18Å; D238-F242 PolarHBondContact O-N 3.41Å; D238-R482 IonicContact OD2-CZ 3.79Å; D238-R482 IonicContact OD2-NH1 3.42Å; D238-R482 PolarHBondContact OD2-NH1 3.38Å; D238-R482 IonicContact OD2-NH2 2.82Å
239	S	90.3	Very high	85.1	Confident	9 Å²	9	39.9 Å²	39.9	6%	0.063	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-50.2	174.2	-178	0	0	0	0	111.2	Q35 V235 I236 H237 Y241 F242 D243 F417 R475	Q35-S239 PolarHBondContact NE2-O 2.85Å; Q35-S239 PolarHBondContact NE2-OG 3.08Å; V235-S239 WeakPolarHBondContact O-CB 3.23Å; V235-S239 PolarHBondContact O-N 2.65Å; I236-S239 PolarHBondContact O-N 2.75Å; H237-S239 VanDerWaalsContact C-N 3.31Å; H237-S239 PolarHBondContact O-N 2.97Å; S239-Y241 VanDerWaalsContact C-N 3.35Å; S239-Y241 PolarHBondContact O-N 2.78Å; S239-F242 PolarHBondContact O-N 3.29Å; S239-D243 WeakPolarHBondContact O-CB 3.45Å; S239-D243 PolarHBondContact O-N 3.09Å; S239-D243 VanDerWaalsContact O-OD2 3.12Å; S239-D243 PolarHBondContact OG-OD2 3.34Å; S239-F417 WeakPolarHBondContact OG-CZ 3.26Å; S239-R475 WeakPolarHBondContact OG-CD 3.44Å
240	V	91.7	Very high	82.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-44	179.9	169.7	0	0	0	0	110.6	I236 H237 D243 L244 F267 L284 F287 V288 F417	I236-V240 HydrophobicContact CG2-CG2 4.36Å; I236-V240 WeakPolarHBondContact O-CB 3.45Å; I236-V240 WeakPolarHBondContact O-CG2 3.36Å; I236-V240 PolarHBondContact O-N 2.79Å; H237-V240 PolarHBondContact O-N 3.33Å; V240-D243 PolarHBondContact O-N 3.35Å; V240-L244 HydrophobicContact CG1-CD1 3.93Å; V240-L244 HydrophobicContact CG1-CG 4.42Å; V240-L244 WeakPolarHBondContact O-CB 3.31Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.47Å; V240-L244 PolarHBondContact O-N 2.88Å; V240-F267 HydrophobicContact CB-CE1 4.42Å; V240-F267 HydrophobicContact CB-CZ 4.3Å; V240-F267 HydrophobicContact CG1-CE1 4.32Å; V240-F267 HydrophobicContact CG1-CE2 4.04Å; V240-F267 HydrophobicContact CG1-CZ 3.77Å; V240-F267 HydrophobicContact CG2-CE1 4.22Å; V240-F267 HydrophobicContact CG2-CZ 4.47Å; V240-L284 HydrophobicContact CG2-CD2 3.84Å; V240-F287 HydrophobicContact CB-CB 4.4Å; V240-F287 HydrophobicContact CG1-CB 4.45Å; V240-F287 WeakPolarHBondContact CG1-O 3.29Å; V240-F287 HydrophobicContact CG2-CB 4.46Å; V240-V288 HydrophobicContact CG1-CG2 4.25Å; V240-V288 HydrophobicContact CG2-CG2 4.17Å; V240-F417 HydrophobicContact CG2-CZ 4.11Å
241	Y	88	Confident	79.7	Confident	129 Å²	129	41.2 Å²	41.2	51%	0.506	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-48.1	178.7	-178.9	-99.9	0	0	0	112.1	H237 S239 D243 L244 L245	H237-Y241 WeakPolarHBondContact O-CB 3.31Å; H237-Y241 PolarHBondContact O-N 2.85Å; S239-Y241 VanDerWaalsContact C-N 3.35Å; S239-Y241 PolarHBondContact O-N 2.78Å; Y241-D243 VanDerWaalsContact C-N 3.3Å; Y241-D243 PolarHBondContact O-N 3.49Å; Y241-L244 PolarHBondContact O-N 3.44Å; Y241-L245 HydrophobicContact CD1-CD1 3.95Å; Y241-L245 HydrophobicContact CE1-CD1 3.38Å; Y241-L245 HydrophobicContact CE1-CG 4.18Å; Y241-L245 WeakPolarHBondContact O-CG 3.31Å; Y241-L245 PolarHBondContact O-N 3.47Å; Y241-L245 VanDerWaalsContact O-N 3.08Å
242	F	82.8	Confident	77	Confident	39 Å²	39	46.3 Å²	46.3	17%	0.171	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-45.2	176	-176.9	-85.8	0	0	0	111.3	Q35 D238 S239 L244 L245 C246	Q35-F242 HydrophobicContact CB-CD1 4.36Å; Q35-F242 HydrophobicContact CB-CE1 4.29Å; Q35-F242 HydrophobicContact CG-CD1 3.89Å; Q35-F242 HydrophobicContact CG-CE1 4Å; D238-F242 WeakPolarHBondContact O-CB 3.18Å; D238-F242 PolarHBondContact O-N 3.41Å; S239-F242 PolarHBondContact O-N 3.29Å; F242-L244 PolarHBondContact O-N 3.03Å; F242-L245 PolarHBondContact O-N 3.04Å; F242-C246 WeakPolarHBondContact CE1-SG 3.47Å; F242-C246 WeakPolarHBondContact O-CB 3.39Å; F242-C246 PolarHBondContact O-N 3.49Å; F242-C246 PolarHBondContact O-SG 2.97Å
243	D	84.8	Confident	74.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-35.2	-177.9	-72.9	-16.7	0	0	0	112.4	Q35 S239 V240 Y241 C246 D247 F267 F415 R475	Q35-D243 PolarHBondContact NE2-OD1 2.76Å; Q35-D243 PolarHBondContact NE2-OD2 2.85Å; S239-D243 WeakPolarHBondContact O-CB 3.45Å; S239-D243 PolarHBondContact O-N 3.09Å; S239-D243 VanDerWaalsContact O-OD2 3.12Å; S239-D243 PolarHBondContact OG-OD2 3.34Å; V240-D243 PolarHBondContact O-N 3.35Å; Y241-D243 VanDerWaalsContact C-N 3.3Å; Y241-D243 PolarHBondContact O-N 3.49Å; D243-C246 CarbonylContact O-C 3.53Å; D243-C246 PolarHBondContact O-N 3.4Å; D243-D247 PolarHBondContact O-N 3.36Å; D243-D247 VanDerWaalsContact O-N 3.08Å; D243-F267 HydrophobicContact CB-CE1 3.67Å; D243-F267 HydrophobicContact CB-CZ 3.97Å; D243-F415 HydrophobicContact CB-CD1 4.11Å; D243-F415 HydrophobicContact CB-CD2 3.65Å; D243-F415 HydrophobicContact CB-CE1 4.02Å; D243-F415 HydrophobicContact CB-CE2 3.54Å; D243-F415 HydrophobicContact CB-CG 3.92Å; D243-F415 HydrophobicContact CB-CZ 3.73Å; D243-F415 WeakPolarHBondContact O-CE2 3.47Å; D243-R475 IonicContact OD1-CZ 3.68Å; D243-R475 IonicContact OD1-NE 2.84Å; D243-R475 PolarHBondContact OD1-NE 2.96Å; D243-R475 IonicContact OD1-NH2 3.6Å; D243-R475 PolarHBondContact OD1-NH2 3.43Å; D243-R475 IonicContact OD2-CZ 3.53Å; D243-R475 IonicContact OD2-NE 2.67Å; D243-R475 PolarHBondContact OD2-NE 3.4Å; D243-R475 IonicContact OD2-NH2 3.51Å
244	L	82.9	Confident	71.5	Confident	40 Å²	40	52 Å²	52	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-46	171.3	-75.8	166.9	0	0	0	111.6	V240 Y241 F242 C246 D247 T248 L266 F267 P289	V240-L244 HydrophobicContact CG1-CD1 3.93Å; V240-L244 HydrophobicContact CG1-CG 4.42Å; V240-L244 WeakPolarHBondContact O-CB 3.31Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.47Å; V240-L244 PolarHBondContact O-N 2.88Å; Y241-L244 PolarHBondContact O-N 3.44Å; F242-L244 PolarHBondContact O-N 3.03Å; L244-C246 VanDerWaalsContact C-N 3.3Å; L244-C246 PolarHBondContact O-N 3Å; L244-D247 PolarHBondContact O-N 2.86Å; L244-T248 WeakPolarHBondContact O-CG2 3.47Å; L244-T248 PolarHBondContact O-N 2.91Å; L244-T248 PolarHBondContact O-OG1 3.01Å; L244-L266 HydrophobicContact CD2-CD2 4.01Å; L244-F267 HydrophobicContact CD2-CE2 3.94Å; L244-F267 HydrophobicContact CD2-CZ 4.26Å; L244-F267 HydrophobicContact CG-CE2 4.08Å; L244-F267 HydrophobicContact CG-CZ 3.97Å; L244-P289 HydrophobicContact CD1-CG 4.04Å; L244-P289 HydrophobicContact CD2-CG 4.37Å
245	L	75.4	Confident	68.9	Low	72 Å²	72	54.2 Å²	54.2	38%	0.377	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-40	176.4	-70.5	176.4	0	0	0	112	Y241 F242 D247 T248 N249	Y241-L245 HydrophobicContact CD1-CD1 3.95Å; Y241-L245 HydrophobicContact CE1-CD1 3.38Å; Y241-L245 HydrophobicContact CE1-CG 4.18Å; Y241-L245 WeakPolarHBondContact O-CG 3.31Å; Y241-L245 PolarHBondContact O-N 3.47Å; Y241-L245 VanDerWaalsContact O-N 3.08Å; F242-L245 PolarHBondContact O-N 3.04Å; L245-D247 PolarHBondContact O-N 2.71Å; L245-T248 WeakPolarHBondContact CA-OG1 3.28Å; L245-T248 PolarHBondContact O-OG1 2.85Å; L245-N249 WeakPolarHBondContact O-CB 3.46Å; L245-N249 PolarHBondContact O-N 3.45Å; L245-N249 VanDerWaalsContact O-N 3.12Å; L245-N249 PolarHBondContact O-ND2 2.91Å
246	C	66.9	Low	66.2	Low	30 Å²	30	59.9 Å²	59.9	20%	0.203	32%	0.318	C	S	.	.	H	α-helix	trans	-71.9	-8.2	174.2	-74.4	0	0	0	0	113.9	F242 D243 L244 Y250	F242-C246 WeakPolarHBondContact CE1-SG 3.47Å; F242-C246 WeakPolarHBondContact O-CB 3.39Å; F242-C246 PolarHBondContact O-N 3.49Å; F242-C246 PolarHBondContact O-SG 2.97Å; D243-C246 CarbonylContact O-C 3.53Å; D243-C246 PolarHBondContact O-N 3.4Å; L244-C246 VanDerWaalsContact C-N 3.3Å; L244-C246 PolarHBondContact O-N 3Å; C246-Y250 WeakPolarHBondContact O-CB 3.32Å; C246-Y250 WeakPolarHBondContact O-CD2 3.35Å
247	D	65	Low	63.5	Low	27 Å²	27	63.6 Å²	63.6	14%	0.144	34%	0.34	C	S	.	.	H	α-helix	trans	-99.1	-38.4	172	-155	58.6	0	0	0	110.9	D243 L244 L245 N249 Y250 L266 K414	D243-D247 PolarHBondContact O-N 3.36Å; D243-D247 VanDerWaalsContact O-N 3.08Å; L244-D247 PolarHBondContact O-N 2.86Å; L245-D247 PolarHBondContact O-N 2.71Å; D247-N249 VanDerWaalsContact C-N 3.33Å; D247-N249 PolarHBondContact O-N 3.21Å; D247-Y250 CarbonylContact O-C 3.47Å; D247-Y250 PolarHBondContact O-N 3.45Å; D247-L266 HydrophobicContact CB-CD1 4.32Å; D247-L266 HydrophobicContact CB-CD2 3.9Å; D247-K414 IonicContact OD1-NZ 3.83Å; D247-K414 PolarHBondContact OD1-NZ 2.83Å
248	T	54.5	Low	61.2	Low	100 Å²	100	64.5 Å²	64.5	61%	0.613	35%	0.346	S	S	*	.	H	α-helix	trans	-62.9	-38.6	175.1	55.2	0	0	0	0	112.6	L244 L245 Y250	L244-T248 WeakPolarHBondContact O-CG2 3.47Å; L244-T248 PolarHBondContact O-N 2.91Å; L244-T248 PolarHBondContact O-OG1 3.01Å; L245-T248 WeakPolarHBondContact CA-OG1 3.28Å; L245-T248 PolarHBondContact O-OG1 2.85Å; T248-Y250 VanDerWaalsContact C-N 3.31Å
249	N	44.1	Very low	59.5	Low	88 Å²	88	70.6 Å²	70.6	47%	0.471	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.5	178.2	-72	-20.7	0	0	0	113	L245 D247	L245-N249 WeakPolarHBondContact O-CB 3.46Å; L245-N249 PolarHBondContact O-N 3.45Å; L245-N249 VanDerWaalsContact O-N 3.12Å; L245-N249 PolarHBondContact O-ND2 2.91Å; D247-N249 VanDerWaalsContact C-N 3.33Å; D247-N249 PolarHBondContact O-N 3.21Å
250	Y	44.8	Very low	58.3	Low	43 Å²	43	78.5 Å²	78.5	17%	0.169	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	71.5	-177.8	-62	-95.9	0	0	0	106.7	Q18 C246 D247 T248 F252	Q18-Y250 HydrophobicContact CB-CE1 4.39Å; C246-Y250 WeakPolarHBondContact O-CB 3.32Å; C246-Y250 WeakPolarHBondContact O-CD2 3.35Å; D247-Y250 CarbonylContact O-C 3.47Å; D247-Y250 PolarHBondContact O-N 3.45Å; T248-Y250 VanDerWaalsContact C-N 3.31Å; Y250-F252 PolarHBondContact O-N 3.38Å
251	S	38.3	Very low	57.6	Low	72 Å²	72	82.4 Å²	82.4	50%	0.503	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	77	-176.8	-169	0	0	0	0	112.1	N253	S251-N253 PolarHBondContact O-N 3.42Å
252	F	40.8	Very low	57.4	Low	134 Å²	134	79.3 Å²	79.3	59%	0.588	41%	0.412	S	S	*	.			trans	-83.4	85.3	153.3	-161.6	-91.7	0	0	0	102.8	Y250 V254	Y250-F252 PolarHBondContact O-N 3.38Å; F252-V254 VanDerWaalsContact C-N 3.25Å; F252-V254 PolarHBondContact O-N 2.91Å
253	N	37.8	Very low	57.6	Low	75 Å²	75	78.1 Å²	78.1	40%	0.401	41%	0.409	S	S	.	.			trans	-51.3	102.3	164.5	-103.5	-18.7	0	0	0	106.2	S251 S255 N256	S251-N253 PolarHBondContact O-N 3.42Å; N253-S255 VanDerWaalsContact CB-OG 3.26Å; N253-S255 WeakPolarHBondContact CB-OG 3.21Å; N253-S255 VanDerWaalsContact CG-OG 3.23Å; N253-S255 PolarHBondContact O-N 3.24Å; N253-S255 PolarHBondContact OD1-OG 3.42Å; N253-N256 HydrophobicContact CB-CB 3.84Å; N253-N256 PolarHBondContact ND2-ND2 2.84Å; N253-N256 PolarHBondContact O-N 2.9Å
254	V	41.4	Very low	57.7	Low	58 Å²	58	79.3 Å²	79.3	35%	0.352	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-23.4	167.5	168.5	0	0	0	0	109.4	F252 M258	F252-V254 VanDerWaalsContact C-N 3.25Å; F252-V254 PolarHBondContact O-N 2.91Å; V254-M258 HydrophobicContact CG1-CE 3.23Å; V254-M258 HydrophobicContact CG1-SD 4.27Å; V254-M258 WeakPolarHBondContact O-CG 3.2Å
255	S	40.8	Very low	58.2	Low	84 Å²	84	77.4 Å²	77.4	59%	0.587	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.5	170.1	43.5	0	0	0	0	116.4	N253	N253-S255 VanDerWaalsContact CB-OG 3.26Å; N253-S255 WeakPolarHBondContact CB-OG 3.21Å; N253-S255 VanDerWaalsContact CG-OG 3.23Å; N253-S255 PolarHBondContact O-N 3.24Å; N253-S255 PolarHBondContact OD1-OG 3.42Å
256	N	38.7	Very low	59.1	Low	123 Å²	123	74.7 Å²	74.7	66%	0.658	40%	0.397	S	S	*	.	S	Bend	trans	-95.2	-9.7	-167.7	-85.7	-8.4	0	0	0	116	N253	N253-N256 HydrophobicContact CB-CB 3.84Å; N253-N256 PolarHBondContact ND2-ND2 2.84Å; N253-N256 PolarHBondContact O-N 2.9Å
257	V	41.4	Very low	60.5	Low	77 Å²	77	73.2 Å²	73.2	47%	0.467	39%	0.387	S	S	.	.			trans	-152.3	58.9	166	-161.5	0	0	0	0	110.1	R259 Q262	V257-R259 HydrophobicContact CG1-CG 3.74Å; V257-R259 PolarHBondContact O-N 2.67Å; V257-Q262 PolarHBondContact O-OE1 3.1Å
258	M	45.7	Very low	62.1	Low	102 Å²	102	72 Å²	72	50%	0.502	38%	0.38	S	S	.	.			trans	-65.4	89.6	160.9	-75	-62	-164.9	0	0	107.4	V254 Q262	V254-M258 HydrophobicContact CG1-CE 3.23Å; V254-M258 HydrophobicContact CG1-SD 4.27Å; V254-M258 WeakPolarHBondContact O-CG 3.2Å; M258-Q262 HydrophobicContact SD-CB 4.31Å
259	R	54.3	Low	64.2	Low	178 Å²	178	67.2 Å²	67.2	67%	0.672	35%	0.351	S	S	*	.			trans	-62.6	141.5	165.8	-61.1	-170.7	-177.8	175.5	0.7	106.8	V257 N261 Q262	V257-R259 HydrophobicContact CG1-CG 3.74Å; V257-R259 PolarHBondContact O-N 2.67Å; R259-N261 PolarHBondContact O-N 3.44Å; R259-Q262 HydrophobicContact CB-CG 4.29Å; R259-Q262 PolarHBondContact O-N 3.45Å; R259-Q262 VanDerWaalsContact O-N 3.15Å
260	E	64.3	Low	66.8	Low	175 Å²	175	64 Å²	64	82%	0.818	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	130.1	170.2	-69.7	179.9	165	0	0	108.7
261	N	78.2	Confident	69.3	Low	85 Å²	85	62.1 Å²	62.1	46%	0.455	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	12.6	-179.4	-44.5	-47	0	0	0	118.1	R259 K408 C409 I410	R259-N261 PolarHBondContact O-N 3.44Å; N261-K408 WeakPolarHBondContact CB-O 3.42Å; N261-C409 CarbonylContact O-C 3.58Å; N261-C409 WeakPolarHBondContact O-CA 3.41Å; N261-I410 PolarHBondContact O-N 2.84Å
262	Q	83.6	Confident	72.2	Confident	63 Å²	63	60.7 Å²	60.7	29%	0.294	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-78.7	143.4	170.5	-74.8	-171.3	-4.2	0	0	113.5	V257 M258 R259 I410	V257-Q262 PolarHBondContact O-OE1 3.1Å; M258-Q262 HydrophobicContact SD-CB 4.31Å; R259-Q262 HydrophobicContact CB-CG 4.29Å; R259-Q262 PolarHBondContact O-N 3.45Å; R259-Q262 VanDerWaalsContact O-N 3.15Å; Q262-I410 WeakPolarHBondContact CA-O 3.21Å
263	S	86.9	Confident	74.9	Confident	14 Å²	14	54.3 Å²	54.3	10%	0.098	29%	0.289	C	S	.	.			trans	-69.3	-30.5	-178.7	64.7	0	0	0	0	114.6	S265 D295 I410 S412	S263-S265 VanDerWaalsContact C-N 3.25Å; S263-S265 PolarHBondContact O-N 2.79Å; S263-S265 PolarHBondContact OG-N 2.82Å; S263-D295 VanDerWaalsContact CB-OD1 3.28Å; S263-D295 WeakPolarHBondContact CB-OD1 3.4Å; S263-D295 WeakPolarHBondContact CB-OD2 3.28Å; S263-D295 VanDerWaalsContact OG-CG 3.28Å; S263-D295 PolarHBondContact OG-OD1 3.44Å; S263-D295 PolarHBondContact OG-OD2 3.38Å; S263-I410 PolarHBondContact N-O 3.1Å; S263-S412 PolarHBondContact OG-N 2.78Å; S263-S412 PolarHBondContact OG-OG 3.17Å
264	G	87	Confident	77.7	Confident	25 Å²	25	51.5 Å²	51.5	26%	0.258	28%	0.277	S	S	.	.			trans	78.7	-2.6	-174.2	0	0	0	0	0	114.8	S412	G264-S412 VanDerWaalsContact CA-OG 3.24Å; G264-S412 WeakPolarHBondContact CA-OG 3.46Å; G264-S412 PolarHBondContact N-OG 2.97Å
265	S	92.8	Very high	80.4	Confident	1 Å²	1	49 Å²	49	1%	0.007	26%	0.262	C	S	.	.			trans	-74	136.8	176.3	-51.4	0	0	0	0	112	S263 S293 D295 N350 S412 A413	S263-S265 VanDerWaalsContact C-N 3.25Å; S263-S265 PolarHBondContact O-N 2.79Å; S263-S265 PolarHBondContact OG-N 2.82Å; S265-S293 WeakPolarHBondContact CB-O 3.39Å; S265-S293 WeakPolarHBondContact OG-CB 3.43Å; S265-S293 PolarHBondContact OG-O 2.89Å; S265-S293 PolarHBondContact OG-OG 3.47Å; S265-D295 VanDerWaalsContact CB-CG 3.47Å; S265-D295 VanDerWaalsContact CB-OD1 3.24Å; S265-D295 WeakPolarHBondContact CB-OD1 2.78Å; S265-D295 VanDerWaalsContact OG-CG 3.3Å; S265-D295 PolarHBondContact OG-OD1 3.25Å; S265-N350 PolarHBondContact OG-ND2 3.48Å; S265-N350 VanDerWaalsContact OG-ND2 3.08Å; S265-S412 PolarHBondContact N-OG 3.26Å; S265-S412 CarbonylContact O-C 3.58Å; S265-S412 PolarHBondContact O-OG 2.94Å; S265-A413 VanDerWaalsContact O-CA 3.24Å; S265-A413 WeakPolarHBondContact O-CA 3.47Å; S265-A413 PolarHBondContact O-N 3.14Å; S265-A413 VanDerWaalsContact O-N 3.11Å
266	L	93.3	Very high	83.2	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.073	24%	0.237	C	C	.	.	S	Bend	trans	-81.4	-33.6	168.9	-178.7	60.5	0	0	0	111.8	L244 D247 A413 K414 F415	L244-L266 HydrophobicContact CD2-CD2 4.01Å; D247-L266 HydrophobicContact CB-CD1 4.32Å; D247-L266 HydrophobicContact CB-CD2 3.9Å; L266-A413 CarbonylContact O-C 3.16Å; L266-A413 WeakPolarHBondContact O-CA 3.05Å; L266-K414 HydrophobicContact CD1-CB 3.98Å; L266-K414 HydrophobicContact CD1-CD 4.41Å; L266-K414 PolarHBondContact O-N 3.09Å; L266-F415 HydrophobicContact CD1-CD2 4.02Å; L266-F415 HydrophobicContact CD1-CE2 3.82Å; L266-F415 HydrophobicContact CD2-CE2 4.26Å; L266-F415 HydrophobicContact CG-CD2 3.95Å; L266-F415 HydrophobicContact CG-CE2 4.02Å; L266-F415 PolarHBondContact O-N 3.44Å
267	F	97	Very high	86	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.8	-176.4	-62.9	-76.1	0	0	0	111.9	V240 D243 L244 V288 D295 F415 F417	V240-F267 HydrophobicContact CB-CE1 4.42Å; V240-F267 HydrophobicContact CB-CZ 4.3Å; V240-F267 HydrophobicContact CG1-CE1 4.32Å; V240-F267 HydrophobicContact CG1-CE2 4.04Å; V240-F267 HydrophobicContact CG1-CZ 3.77Å; V240-F267 HydrophobicContact CG2-CE1 4.22Å; V240-F267 HydrophobicContact CG2-CZ 4.47Å; D243-F267 HydrophobicContact CB-CE1 3.67Å; D243-F267 HydrophobicContact CB-CZ 3.97Å; L244-F267 HydrophobicContact CD2-CE2 3.94Å; L244-F267 HydrophobicContact CD2-CZ 4.26Å; L244-F267 HydrophobicContact CG-CE2 4.08Å; L244-F267 HydrophobicContact CG-CZ 3.97Å; F267-V288 HydrophobicContact CB-CG2 4.2Å; F267-V288 HydrophobicContact CD2-CB 4.45Å; F267-V288 HydrophobicContact CD2-CG1 3.91Å; F267-V288 HydrophobicContact CD2-CG2 3.76Å; F267-V288 HydrophobicContact CE2-CG2 4.35Å; F267-V288 HydrophobicContact CG-CG2 3.98Å; F267-D295 PolarHBondContact O-N 2.97Å; F267-F415 HydrophobicContact CD1-CB 3.97Å; F267-F415 HydrophobicContact CD1-CD2 4.19Å; F267-F415 HydrophobicContact CE1-CB 4.22Å; F267-F415 AromaticContact CE1-CD2 3.85Å; F267-F415 HydrophobicContact CE1-CD2 3.85Å; F267-F415 HydrophobicContact CE1-CG 4.33Å; F267-F415 HydrophobicContact CZ-CD2 4.44Å; F267-F417 AromaticContact CD1-CE2 3.94Å; F267-F417 HydrophobicContact CD1-CE2 3.94Å; F267-F417 HydrophobicContact CE1-CE2 4.49Å
268	G	97.9	Very high	88.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.8	174.5	0	0	0	0	0	111.9	D295 F415 L416 F417	G268-D295 CarbonylContact C-O 3.42Å; G268-D295 WeakPolarHBondContact CA-O 3.49Å; G268-F415 PolarHBondContact N-O 2.94Å; G268-L416 CarbonylContact O-C 3.16Å; G268-L416 WeakPolarHBondContact O-CA 3.48Å; G268-F417 PolarHBondContact O-N 2.95Å
269	L	98.8	Very high	91.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.4	178.9	171.2	64.2	0	0	0	108.6	F271 S277 I280 A281 L284 D295 L296 I297 F417	L269-F271 HydrophobicContact CD2-CD2 3.78Å; L269-F271 HydrophobicContact CG-CB 4.35Å; L269-F271 HydrophobicContact CG-CD2 4.38Å; L269-F271 PolarHBondContact O-N 3.05Å; L269-S277 VanDerWaalsContact CD2-O 3.29Å; L269-S277 WeakPolarHBondContact CD2-O 3.48Å; L269-I280 HydrophobicContact CD1-CB 4.25Å; L269-I280 HydrophobicContact CD1-CG2 3.89Å; L269-I280 HydrophobicContact CD2-CB 4.45Å; L269-I280 HydrophobicContact CD2-CG2 4.34Å; L269-A281 HydrophobicContact CD2-CB 3.66Å; L269-L284 HydrophobicContact CB-CD1 4.3Å; L269-D295 PolarHBondContact N-O 3.18Å; L269-L296 HydrophobicContact CB-CD2 4.2Å; L269-L296 HydrophobicContact CD2-CD2 4Å; L269-I297 PolarHBondContact O-N 2.71Å; L269-F417 WeakPolarHBondContact CA-O 3.44Å; L269-F417 HydrophobicContact CB-CB 4.49Å; L269-F417 HydrophobicContact CD1-CB 3.79Å; L269-F417 VanDerWaalsContact CD1-O 3.28Å; L269-F417 WeakPolarHBondContact CD1-O 3.48Å
270	L	98.6	Very high	93.4	Very high	22 Å²	22	22.9 Å²	22.9	12%	0.115	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	102.3	167.5	-60.6	-162.9	0	0	0	108.6	I297 L389 A392 L416 F417 L418	L270-I297 HydrophobicContact CD2-CB 4.26Å; L270-I297 HydrophobicContact CD2-CD1 4.47Å; L270-L389 HydrophobicContact CD1-CD2 3.64Å; L270-A392 HydrophobicContact CD1-CB 4.15Å; L270-A392 HydrophobicContact CD2-CB 3.84Å; L270-L416 HydrophobicContact CD2-CD1 4.07Å; L270-F417 PolarHBondContact N-O 2.65Å; L270-L418 HydrophobicContact CB-CG 4.46Å; L270-L418 HydrophobicContact CD1-CD2 3.68Å; L270-L418 HydrophobicContact CD1-CG 4.11Å; L270-L418 HydrophobicContact CG-CD2 4.35Å; L270-L418 HydrophobicContact CG-CG 4.23Å
271	F	98.6	Very high	95	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	9%	0.09	C	C	.	.			trans	-109.1	96.1	-159.9	-172.9	-111.2	0	0	0	111.8	L269 G273 A281 L296 I297 N298 A333 L340 L351	L269-F271 HydrophobicContact CD2-CD2 3.78Å; L269-F271 HydrophobicContact CG-CB 4.35Å; L269-F271 HydrophobicContact CG-CD2 4.38Å; L269-F271 PolarHBondContact O-N 3.05Å; F271-G273 VanDerWaalsContact C-N 3.26Å; F271-A281 HydrophobicContact CE2-CB 4.22Å; F271-L296 HydrophobicContact CB-CB 3.91Å; F271-L296 HydrophobicContact CB-CD2 4.33Å; F271-L296 HydrophobicContact CD1-CB 3.91Å; F271-L296 HydrophobicContact CD1-CD1 4.2Å; F271-L296 HydrophobicContact CD1-CG 4.48Å; F271-L296 HydrophobicContact CD2-CD2 3.98Å; F271-L296 HydrophobicContact CE1-CD1 4.09Å; F271-L296 HydrophobicContact CE2-CD2 4.44Å; F271-L296 HydrophobicContact CG-CB 3.92Å; F271-L296 HydrophobicContact CG-CD1 4.44Å; F271-L296 HydrophobicContact CG-CD2 4.08Å; F271-L296 HydrophobicContact CG-CG 4.37Å; F271-L296 HydrophobicContact CZ-CD1 4.24Å; F271-I297 PolarHBondContact N-O 3.05Å; F271-N298 VanDerWaalsContact O-CB 3.25Å; F271-N298 WeakPolarHBondContact O-CB 3.21Å; F271-N298 PolarHBondContact O-ND2 2.81Å; F271-A333 HydrophobicContact CD1-CB 3.89Å; F271-A333 HydrophobicContact CE1-CB 3.96Å; F271-A333 WeakPolarHBondContact CE1-O 3.26Å; F271-L340 HydrophobicContact CE2-CD1 3.9Å; F271-L340 HydrophobicContact CZ-CD1 3.71Å; F271-L351 HydrophobicContact CD1-CD1 4.01Å; F271-L351 HydrophobicContact CE1-CD1 4.44Å
272	S	98	Very high	96	Very high	42 Å²	42	11.1 Å²	11.1	29%	0.294	7%	0.073	S	C	.	.			trans	-75.6	-15.2	171.3	68.6	0	0	0	0	113.4	G274 S277 D329 A333	S272-G274 PolarHBondContact O-N 3.05Å; S272-G274 PolarHBondContact OG-N 3.46Å; S272-S277 PolarHBondContact N-OG 3.36Å; S272-S277 PolarHBondContact OG-OG 3.34Å; S272-S277 VanDerWaalsContact OG-OG 3.13Å; S272-D329 VanDerWaalsContact O-O 3.09Å; S272-A333 PolarHBondContact O-N 2.63Å
273	G	97.8	Very high	96.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	6%	0.059	C	C	.	.			trans	72.1	-2.3	-166.6	0	0	0	0	0	114.6	F271 S277 S278 T332 S336	F271-G273 VanDerWaalsContact C-N 3.26Å; G273-S277 PolarHBondContact N-OG 3.3Å; G273-S278 PolarHBondContact O-OG 2.81Å; G273-T332 WeakPolarHBondContact O-CG2 3.21Å; G273-S336 WeakPolarHBondContact O-CB 3.21Å; G273-S336 PolarHBondContact O-OG 3.23Å
274	G	97.6	Very high	97.3	Very high	16 Å²	16	7.4 Å²	7.4	17%	0.165	5%	0.054	C	C	.	.	S	Bend	trans	-67.9	172.4	173	0	0	0	0	0	112.4	S272 D276 S277 S278	S272-G274 PolarHBondContact O-N 3.05Å; S272-G274 PolarHBondContact OG-N 3.46Å; G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 2.76Å; G274-S277 PolarHBondContact N-OG 2.69Å; G274-S277 PolarHBondContact O-N 3.01Å; G274-S277 PolarHBondContact O-OG 2.61Å; G274-S278 WeakPolarHBondContact O-CB 3.33Å; G274-S278 PolarHBondContact O-N 2.94Å; G274-S278 PolarHBondContact O-OG 2.99Å; G274-S278 VanDerWaalsContact O-OG 3.08Å
275	L	98.2	Very high	97.8	Very high	6 Å²	6	7.8 Å²	7.8	3%	0.031	5%	0.05	C	C	.	.	H	α-helix	trans	-45.4	-52.3	-179.4	177.3	56.6	0	0	0	113.1	S277 S278 V279 K507 L510 R511 A514	L275-S277 PolarHBondContact O-N 3.3Å; L275-S278 PolarHBondContact O-N 2.9Å; L275-V279 HydrophobicContact CD1-CG2 4.11Å; L275-V279 WeakPolarHBondContact O-CG2 3.23Å; L275-V279 PolarHBondContact O-N 2.84Å; L275-K507 HydrophobicContact CD2-CB 4.23Å; L275-K507 HydrophobicContact CD2-CD 4.2Å; L275-L510 HydrophobicContact CD1-CG 4.25Å; L275-L510 HydrophobicContact CD2-CB 4.23Å; L275-L510 HydrophobicContact CD2-CD2 3.92Å; L275-L510 HydrophobicContact CD2-CG 4.02Å; L275-L510 HydrophobicContact CG-CD2 3.75Å; L275-L510 HydrophobicContact CG-CG 3.89Å; L275-R511 HydrophobicContact CD2-CB 4.49Å; L275-R511 HydrophobicContact CD2-CG 3.51Å; L275-A514 HydrophobicContact CD1-CB 3.45Å; L275-A514 VanDerWaalsContact CD1-CB 3.45Å
276	D	98.1	Very high	98	Very high	13 Å²	13	14.2 Å²	14.2	7%	0.07	7%	0.074	C	C	.	.	H	α-helix	trans	-63.3	-48.5	-170.9	-43.5	-22.6	0	0	0	111.9	G274 I280 I422 Y478 K507 L510 K527	G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 2.76Å; D276-I280 PolarHBondContact O-N 3.3Å; D276-I422 HydrophobicContact CB-CG2 3.94Å; D276-I422 VanDerWaalsContact CG-CG2 3.49Å; D276-Y478 HydrophobicContact CB-CE2 4.13Å; D276-Y478 PolarHBondContact O-OH 2.78Å; D276-K507 IonicContact OD1-NZ 3.29Å; D276-K507 PolarHBondContact OD1-NZ 2.79Å; D276-K507 IonicContact OD2-NZ 3.78Å; D276-K507 PolarHBondContact OD2-NZ 3.03Å; D276-L510 WeakPolarHBondContact OD1-CD2 3.43Å; D276-K527 IonicContact OD2-NZ 3.89Å
277	S	98.5	Very high	98.2	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-71.4	-36.6	179.1	51.5	0	0	0	0	111.9	L269 S272 G273 G274 L275 V279 I280 A281	L269-S277 VanDerWaalsContact CD2-O 3.29Å; L269-S277 WeakPolarHBondContact CD2-O 3.48Å; S272-S277 PolarHBondContact N-OG 3.36Å; S272-S277 PolarHBondContact OG-OG 3.34Å; S272-S277 VanDerWaalsContact OG-OG 3.13Å; G273-S277 PolarHBondContact N-OG 3.3Å; G274-S277 PolarHBondContact N-OG 2.69Å; G274-S277 PolarHBondContact O-N 3.01Å; G274-S277 PolarHBondContact O-OG 2.61Å; L275-S277 PolarHBondContact O-N 3.3Å; S277-V279 PolarHBondContact O-N 3.43Å; S277-I280 PolarHBondContact O-N 2.8Å; S277-A281 WeakPolarHBondContact O-CB 3.48Å; S277-A281 PolarHBondContact O-N 3.06Å
278	S	98.7	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.4	-36.5	179.7	-61.7	0	0	0	0	112.6	G273 G274 L275 A281 A282 S336 L519 A522	G273-S278 PolarHBondContact O-OG 2.81Å; G274-S278 WeakPolarHBondContact O-CB 3.33Å; G274-S278 PolarHBondContact O-N 2.94Å; G274-S278 PolarHBondContact O-OG 2.99Å; G274-S278 VanDerWaalsContact O-OG 3.08Å; L275-S278 PolarHBondContact O-N 2.9Å; S278-A281 PolarHBondContact O-N 2.99Å; S278-A282 WeakPolarHBondContact O-CB 3.39Å; S278-A282 PolarHBondContact O-N 2.95Å; S278-S336 PolarHBondContact OG-OG 2.61Å; S278-L519 WeakPolarHBondContact O-CD1 3.48Å; S278-A522 VanDerWaalsContact CB-CB 3.48Å
279	V	98.8	Very high	98	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.3	-45.1	173.2	169.4	0	0	0	0	110.9	L232 L275 S277 A281 A282 L283 L510 A514 L517 L519	L232-V279 HydrophobicContact CD2-CG1 3.73Å; L275-V279 HydrophobicContact CD1-CG2 4.11Å; L275-V279 WeakPolarHBondContact O-CG2 3.23Å; L275-V279 PolarHBondContact O-N 2.84Å; S277-V279 PolarHBondContact O-N 3.43Å; V279-A281 PolarHBondContact O-N 3.28Å; V279-A282 PolarHBondContact O-N 3.03Å; V279-L283 HydrophobicContact CG1-CD1 4.21Å; V279-L283 WeakPolarHBondContact O-CG 3.38Å; V279-L283 PolarHBondContact O-N 3.23Å; V279-L283 VanDerWaalsContact O-N 3.17Å; V279-L510 HydrophobicContact CB-CD1 4.29Å; V279-L510 HydrophobicContact CG1-CD1 4.04Å; V279-L510 HydrophobicContact CG2-CD1 4.03Å; V279-L510 HydrophobicContact CG2-CG 4.39Å; V279-A514 HydrophobicContact CG2-CB 3.75Å; V279-L517 HydrophobicContact CB-CD1 4.48Å; V279-L517 HydrophobicContact CG1-CD1 3.92Å; V279-L517 HydrophobicContact CG2-CD1 4.45Å; V279-L519 HydrophobicContact CG2-CD1 4.05Å
280	I	98.8	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-45.3	175.7	-66.5	171	0	0	0	110.6	I236 L269 D276 S277 A282 L283 L284 F417 L418 P477 Y478	I236-I280 HydrophobicContact CD1-CG2 4.32Å; L269-I280 HydrophobicContact CD1-CB 4.25Å; L269-I280 HydrophobicContact CD1-CG2 3.89Å; L269-I280 HydrophobicContact CD2-CB 4.45Å; L269-I280 HydrophobicContact CD2-CG2 4.34Å; D276-I280 PolarHBondContact O-N 3.3Å; S277-I280 PolarHBondContact O-N 2.8Å; I280-A282 PolarHBondContact O-N 3.4Å; I280-L283 PolarHBondContact O-N 3.21Å; I280-L283 VanDerWaalsContact O-N 3.15Å; I280-L284 HydrophobicContact CG2-CD1 3.78Å; I280-L284 HydrophobicContact CG2-CG 4.02Å; I280-L284 WeakPolarHBondContact O-CG 3.31Å; I280-L284 PolarHBondContact O-N 2.71Å; I280-F417 HydrophobicContact CG2-CB 3.98Å; I280-F417 HydrophobicContact CG2-CD1 4.16Å; I280-F417 HydrophobicContact CG2-CG 4.33Å; I280-L418 VanDerWaalsContact CD1-O 3.31Å; I280-L418 WeakPolarHBondContact CD1-O 3.4Å; I280-P477 HydrophobicContact CD1-CG 3.67Å; I280-P477 HydrophobicContact CG1-CG 3.99Å; I280-Y478 HydrophobicContact CD1-CD2 4.03Å; I280-Y478 HydrophobicContact CD1-CE2 3.49Å; I280-Y478 VanDerWaalsContact CD1-CE2 3.49Å; I280-Y478 HydrophobicContact CG1-CE2 3.82Å
281	A	98.8	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-50.8	178.9	0	0	0	0	0	111.5	L269 F271 S277 S278 V279 L283 L284 D285 L296 L340 W349	L269-A281 HydrophobicContact CD2-CB 3.66Å; F271-A281 HydrophobicContact CE2-CB 4.22Å; S277-A281 WeakPolarHBondContact O-CB 3.48Å; S277-A281 PolarHBondContact O-N 3.06Å; S278-A281 PolarHBondContact O-N 2.99Å; V279-A281 PolarHBondContact O-N 3.28Å; A281-L283 PolarHBondContact O-N 2.71Å; A281-L284 PolarHBondContact O-N 2.71Å; A281-D285 PolarHBondContact O-N 3.5Å; A281-L296 HydrophobicContact CB-CD2 4.26Å; A281-L340 HydrophobicContact CB-CD1 3.63Å; A281-L340 HydrophobicContact CB-CD2 3.95Å; A281-L340 HydrophobicContact CB-CG 4.47Å; A281-W349 HydrophobicContact CB-CH2 4.31Å; A281-W349 HydrophobicContact CB-CZ3 4.35Å; A281-W349 WeakPolarHBondContact O-CH2 3.41Å
282	A	98.5	Very high	97.1	Very high	12 Å²	12	32 Å²	32	10%	0.099	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-28.1	179	0	0	0	0	0	113.4	S278 V279 I280 L340 L517 L519	S278-A282 WeakPolarHBondContact O-CB 3.39Å; S278-A282 PolarHBondContact O-N 2.95Å; V279-A282 PolarHBondContact O-N 3.03Å; I280-A282 PolarHBondContact O-N 3.4Å; A282-L340 HydrophobicContact CB-CD2 4.21Å; A282-L517 HydrophobicContact CB-CD1 4.37Å; A282-L519 HydrophobicContact CB-CD1 3.88Å; A282-L519 HydrophobicContact CB-CD2 4.35Å; A282-L519 HydrophobicContact CB-CG 4.36Å
283	L	98.6	Very high	97	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-84.4	-37.5	175.7	-68.1	178.2	0	0	0	112.6	L229 L232 I236 V279 I280 A281 D285 R286 F287 L517	L229-L283 HydrophobicContact CD1-CD2 3.95Å; L232-L283 HydrophobicContact CB-CD1 4.18Å; L232-L283 HydrophobicContact CD2-CD1 3.59Å; L232-L283 HydrophobicContact CG-CD1 3.56Å; I236-L283 HydrophobicContact CD1-CB 3.47Å; I236-L283 VanDerWaalsContact CD1-CB 3.47Å; I236-L283 HydrophobicContact CD1-CD1 3.68Å; I236-L283 HydrophobicContact CD1-CG 4.22Å; I236-L283 HydrophobicContact CG2-CB 4.44Å; V279-L283 HydrophobicContact CG1-CD1 4.21Å; V279-L283 WeakPolarHBondContact O-CG 3.38Å; V279-L283 PolarHBondContact O-N 3.23Å; V279-L283 VanDerWaalsContact O-N 3.17Å; I280-L283 PolarHBondContact O-N 3.21Å; I280-L283 VanDerWaalsContact O-N 3.15Å; A281-L283 PolarHBondContact O-N 2.71Å; L283-D285 PolarHBondContact O-N 3.4Å; L283-R286 WeakPolarHBondContact O-CB 3.43Å; L283-R286 PolarHBondContact O-N 3.1Å; L283-F287 WeakPolarHBondContact O-CD2 3.46Å; L283-L517 HydrophobicContact CD2-CD1 4.29Å; L283-L517 HydrophobicContact CD2-CD2 4Å; L283-L517 HydrophobicContact CG-CD1 4.21Å
284	L	98.5	Very high	97.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-39.7	172.9	-77.1	171.3	0	0	0	111.4	I236 V240 L269 I280 A281 R286 F287 V288 I294 F417	I236-L284 HydrophobicContact CG2-CD2 3.78Å; I236-L284 HydrophobicContact CG2-CG 4.22Å; V240-L284 HydrophobicContact CG2-CD2 3.84Å; L269-L284 HydrophobicContact CB-CD1 4.3Å; I280-L284 HydrophobicContact CG2-CD1 3.78Å; I280-L284 HydrophobicContact CG2-CG 4.02Å; I280-L284 WeakPolarHBondContact O-CG 3.31Å; I280-L284 PolarHBondContact O-N 2.71Å; A281-L284 PolarHBondContact O-N 2.71Å; L284-R286 PolarHBondContact O-N 2.8Å; L284-R286 VanDerWaalsContact O-N 3.12Å; L284-F287 PolarHBondContact O-N 3.17Å; L284-F287 VanDerWaalsContact O-N 3.08Å; L284-V288 HydrophobicContact CB-CG2 4.4Å; L284-V288 HydrophobicContact CD2-CG2 4.29Å; L284-V288 WeakPolarHBondContact O-CB 3.32Å; L284-V288 WeakPolarHBondContact O-CG2 3.34Å; L284-V288 PolarHBondContact O-N 2.77Å; L284-I294 HydrophobicContact CB-CD1 4.01Å; L284-F417 HydrophobicContact CD1-CB 4.26Å; L284-F417 HydrophobicContact CD1-CD2 4.09Å; L284-F417 HydrophobicContact CD1-CG 4.08Å; L284-F417 HydrophobicContact CD2-CD1 4.22Å; L284-F417 HydrophobicContact CD2-CD2 3.85Å; L284-F417 HydrophobicContact CD2-CE1 4.01Å; L284-F417 HydrophobicContact CD2-CE2 3.62Å; L284-F417 HydrophobicContact CD2-CG 4.15Å; L284-F417 HydrophobicContact CD2-CZ 3.7Å
285	D	98.2	Very high	97.1	Very high	32 Å²	32	29.7 Å²	29.7	17%	0.171	15%	0.145	C	C	.	.	H	α-helix	trans	-53.6	-32.6	176.1	-174.2	42.8	0	0	0	113.7	A281 L283 S344 R347 W349	A281-D285 PolarHBondContact O-N 3.5Å; L283-D285 PolarHBondContact O-N 3.4Å; D285-S344 PolarHBondContact OD1-OG 3.34Å; D285-S344 WeakPolarHBondContact OD2-CB 3.41Å; D285-S344 PolarHBondContact OD2-OG 3.3Å; D285-R347 PolarHBondContact O-NH2 2.89Å; D285-R347 WeakPolarHBondContact OD1-CB 3.31Å; D285-R347 VanDerWaalsContact OD1-CG 3.29Å; D285-R347 WeakPolarHBondContact OD1-CG 3.28Å; D285-R347 IonicContact OD1-CZ 2.81Å; D285-R347 IonicContact OD1-NE 3.6Å; D285-R347 PolarHBondContact OD1-NE 3.48Å; D285-R347 IonicContact OD1-NH2 3.05Å; D285-R347 PolarHBondContact OD1-NH2 2.99Å; D285-W349 HydrophobicContact CB-CH2 3.84Å; D285-W349 HydrophobicContact CB-CZ2 3.75Å
286	R	97	Very high	97.1	Very high	136 Å²	136	29.4 Å²	29.4	51%	0.513	14%	0.144	S	C	.	.	H	α-helix	trans	-76.9	-23.7	-177.6	-60.2	178.7	177.5	-163.7	-8.2	113.5	L283 L284	L283-R286 WeakPolarHBondContact O-CB 3.43Å; L283-R286 PolarHBondContact O-N 3.1Å; L284-R286 PolarHBondContact O-N 2.8Å; L284-R286 VanDerWaalsContact O-N 3.12Å
287	F	96.7	Very high	97.1	Very high	57 Å²	57	28.9 Å²	28.9	25%	0.25	14%	0.141	C	C	.	.	H	α-helix	trans	-121.7	-26	-166.5	-58	-57.5	0	0	0	113.8	S233 I236 H237 V240 L283 L284	S233-F287 WeakPolarHBondContact O-CE2 3.4Å; I236-F287 HydrophobicContact CB-CD2 4.32Å; I236-F287 HydrophobicContact CG2-CD2 3.93Å; H237-F287 HydrophobicContact CB-CD1 3.77Å; H237-F287 HydrophobicContact CB-CD2 4.1Å; H237-F287 HydrophobicContact CB-CE1 3.82Å; H237-F287 HydrophobicContact CB-CE2 4.15Å; H237-F287 HydrophobicContact CB-CG 3.91Å; H237-F287 HydrophobicContact CB-CZ 4.01Å; H237-F287 AromaticContact CD2-CD1 3.61Å; H237-F287 AromaticContact CD2-CE1 3.97Å; V240-F287 HydrophobicContact CB-CB 4.4Å; V240-F287 HydrophobicContact CG1-CB 4.45Å; V240-F287 WeakPolarHBondContact CG1-O 3.29Å; V240-F287 HydrophobicContact CG2-CB 4.46Å; L283-F287 WeakPolarHBondContact O-CD2 3.46Å; L284-F287 PolarHBondContact O-N 3.17Å; L284-F287 VanDerWaalsContact O-N 3.08Å
288	V	96.1	Very high	97.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.024	14%	0.141	C	C	.	.	S	Bend	trans	-68.4	132.8	168.9	175.6	0	0	0	0	108.4	V240 F267 L284 E290 Q292 I294 R347	V240-V288 HydrophobicContact CG1-CG2 4.25Å; V240-V288 HydrophobicContact CG2-CG2 4.17Å; F267-V288 HydrophobicContact CB-CG2 4.2Å; F267-V288 HydrophobicContact CD2-CB 4.45Å; F267-V288 HydrophobicContact CD2-CG1 3.91Å; F267-V288 HydrophobicContact CD2-CG2 3.76Å; F267-V288 HydrophobicContact CE2-CG2 4.35Å; F267-V288 HydrophobicContact CG-CG2 3.98Å; L284-V288 HydrophobicContact CB-CG2 4.4Å; L284-V288 HydrophobicContact CD2-CG2 4.29Å; L284-V288 WeakPolarHBondContact O-CB 3.32Å; L284-V288 WeakPolarHBondContact O-CG2 3.34Å; L284-V288 PolarHBondContact O-N 2.77Å; V288-E290 PolarHBondContact O-N 3.48Å; V288-Q292 HydrophobicContact CG1-CB 3.97Å; V288-I294 HydrophobicContact CB-CD1 4.05Å; V288-I294 HydrophobicContact CB-CG1 4.18Å; V288-I294 HydrophobicContact CG1-CD1 4.39Å; V288-I294 HydrophobicContact CG1-CG1 4Å; V288-I294 HydrophobicContact CG2-CD1 4.07Å; V288-I294 HydrophobicContact CG2-CG1 4.16Å; V288-R347 PolarHBondContact O-NH2 3.18Å
289	P	94.8	Very high	97.1	Very high	40 Å²	40	29.5 Å²	29.5	26%	0.26	15%	0.145	S	C	.	.			trans	-50.9	138	178.1	-29.5	36.7	0	0	0	112.6	L244 D291 Q292 R347	L244-P289 HydrophobicContact CD1-CG 4.04Å; L244-P289 HydrophobicContact CD2-CG 4.37Å; P289-D291 WeakPolarHBondContact CB-OD1 3.46Å; P289-D291 PolarHBondContact O-N 3.19Å; P289-Q292 HydrophobicContact CB-CG 4.26Å; P289-Q292 PolarHBondContact O-N 3.13Å; P289-R347 PolarHBondContact O-NH1 3.43Å
290	E	93.4	Very high	97.1	Very high	115 Å²	115	29.5 Å²	29.5	54%	0.537	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.3	-171.8	-168.6	175.2	-178	0	0	113	V288 Q292 R346	V288-E290 PolarHBondContact O-N 3.48Å; E290-Q292 VanDerWaalsContact C-N 3.31Å; E290-R346 WeakPolarHBondContact OE1-CD 3.24Å; E290-R346 IonicContact OE1-NH1 3.59Å
291	D	91.2	Very high	97	Very high	143 Å²	143	29.5 Å²	29.5	77%	0.765	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.6	176.9	65.1	-40	0	0	0	114.1	P289	P289-D291 WeakPolarHBondContact CB-OD1 3.46Å; P289-D291 PolarHBondContact O-N 3.19Å
292	Q	93.7	Very high	96.8	Very high	53 Å²	53	31.4 Å²	31.4	25%	0.248	15%	0.153	C	C	.	.	S	Bend	trans	-96.8	142.4	176.5	-63.5	-171.3	23.5	0	0	111.9	V288 P289 E290 R347	V288-Q292 HydrophobicContact CG1-CB 3.97Å; P289-Q292 HydrophobicContact CB-CG 4.26Å; P289-Q292 PolarHBondContact O-N 3.13Å; E290-Q292 VanDerWaalsContact C-N 3.31Å; Q292-R347 PolarHBondContact O-NH1 3.36Å
293	S	96	Very high	96.3	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.063	16%	0.161	C	C	.	.			trans	-80.9	160.2	169.4	47	0	0	0	0	112.5	S265 K348 N350	S265-S293 WeakPolarHBondContact CB-O 3.39Å; S265-S293 WeakPolarHBondContact OG-CB 3.43Å; S265-S293 PolarHBondContact OG-O 2.89Å; S265-S293 PolarHBondContact OG-OG 3.47Å; S293-K348 VanDerWaalsContact CA-O 3.27Å; S293-K348 WeakPolarHBondContact CA-O 3.22Å; S293-K348 VanDerWaalsContact CB-O 3.32Å; S293-K348 WeakPolarHBondContact CB-O 3.37Å; S293-N350 VanDerWaalsContact CB-ND2 3.34Å; S293-N350 WeakPolarHBondContact CB-ND2 3.33Å; S293-N350 PolarHBondContact OG-ND2 3.28Å; S293-N350 VanDerWaalsContact OG-ND2 3.14Å
294	I	98	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.7	171.3	-59.5	167.1	0	0	0	108.7	L284 V288 L296 R347 K348 W349 N350	L284-I294 HydrophobicContact CB-CD1 4.01Å; V288-I294 HydrophobicContact CB-CD1 4.05Å; V288-I294 HydrophobicContact CB-CG1 4.18Å; V288-I294 HydrophobicContact CG1-CD1 4.39Å; V288-I294 HydrophobicContact CG1-CG1 4Å; V288-I294 HydrophobicContact CG2-CD1 4.07Å; V288-I294 HydrophobicContact CG2-CG1 4.16Å; I294-L296 HydrophobicContact CG2-CD2 4.38Å; I294-R347 HydrophobicContact CD1-CG 4.44Å; I294-K348 PolarHBondContact N-O 3.05Å; I294-K348 VanDerWaalsContact N-O 3.1Å; I294-W349 HydrophobicContact CB-CE3 3.91Å; I294-W349 HydrophobicContact CB-CZ3 3.76Å; I294-W349 HydrophobicContact CD1-CE3 4.42Å; I294-W349 HydrophobicContact CD1-CH2 3.82Å; I294-W349 HydrophobicContact CD1-CZ3 3.64Å; I294-W349 HydrophobicContact CG1-CZ3 4.3Å; I294-W349 HydrophobicContact CG2-CE3 4.19Å; I294-W349 HydrophobicContact CG2-CZ3 3.77Å; I294-N350 PolarHBondContact O-N 3.38Å
295	D	98.4	Very high	94.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.9	175.9	-70.2	-6.6	0	0	0	111	S263 S265 F267 G268 L269 I297 N350 I352 S411 A413	S263-D295 VanDerWaalsContact CB-OD1 3.28Å; S263-D295 WeakPolarHBondContact CB-OD1 3.4Å; S263-D295 WeakPolarHBondContact CB-OD2 3.28Å; S263-D295 VanDerWaalsContact OG-CG 3.28Å; S263-D295 PolarHBondContact OG-OD1 3.44Å; S263-D295 PolarHBondContact OG-OD2 3.38Å; S265-D295 VanDerWaalsContact CB-CG 3.47Å; S265-D295 VanDerWaalsContact CB-OD1 3.24Å; S265-D295 WeakPolarHBondContact CB-OD1 2.78Å; S265-D295 VanDerWaalsContact OG-CG 3.3Å; S265-D295 PolarHBondContact OG-OD1 3.25Å; F267-D295 PolarHBondContact O-N 2.97Å; G268-D295 CarbonylContact C-O 3.42Å; G268-D295 WeakPolarHBondContact CA-O 3.49Å; L269-D295 PolarHBondContact N-O 3.18Å; D295-I297 HydrophobicContact CB-CG1 4.2Å; D295-N350 VanDerWaalsContact OD1-CB 3.31Å; D295-N350 WeakPolarHBondContact OD1-CB 3.38Å; D295-N350 PolarHBondContact OD1-ND2 2.95Å; D295-I352 HydrophobicContact CB-CD1 4.05Å; D295-S411 WeakPolarHBondContact OD2-CA 3.15Å; D295-S411 VanDerWaalsContact OD2-CB 3.26Å; D295-S411 WeakPolarHBondContact OD2-CB 3.4Å; D295-S411 PolarHBondContact OD2-OG 2.85Å; D295-A413 HydrophobicContact CB-CB 4.39Å
296	L	98.8	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	101.7	169.7	-58.7	-179.3	0	0	0	108	L269 F271 A281 I294 Y337 L340 W349 N350 L351 I352	L269-L296 HydrophobicContact CB-CD2 4.2Å; L269-L296 HydrophobicContact CD2-CD2 4Å; F271-L296 HydrophobicContact CB-CB 3.91Å; F271-L296 HydrophobicContact CB-CD2 4.33Å; F271-L296 HydrophobicContact CD1-CB 3.91Å; F271-L296 HydrophobicContact CD1-CD1 4.2Å; F271-L296 HydrophobicContact CD1-CG 4.48Å; F271-L296 HydrophobicContact CD2-CD2 3.98Å; F271-L296 HydrophobicContact CE1-CD1 4.09Å; F271-L296 HydrophobicContact CE2-CD2 4.44Å; F271-L296 HydrophobicContact CG-CB 3.92Å; F271-L296 HydrophobicContact CG-CD1 4.44Å; F271-L296 HydrophobicContact CG-CD2 4.08Å; F271-L296 HydrophobicContact CG-CG 4.37Å; F271-L296 HydrophobicContact CZ-CD1 4.24Å; A281-L296 HydrophobicContact CB-CD2 4.26Å; I294-L296 HydrophobicContact CG2-CD2 4.38Å; L296-Y337 HydrophobicContact CD1-CD2 4.11Å; L296-L340 HydrophobicContact CD1-CD1 3.92Å; L296-W349 HydrophobicContact CD1-CB 4.45Å; L296-W349 HydrophobicContact CD1-CD2 4.26Å; L296-W349 HydrophobicContact CD1-CE3 3.73Å; L296-W349 HydrophobicContact CD1-CZ3 4.38Å; L296-W349 HydrophobicContact CD2-CE3 3.95Å; L296-W349 HydrophobicContact CD2-CZ3 3.95Å; L296-W349 HydrophobicContact CG-CE3 3.83Å; L296-W349 HydrophobicContact CG-CZ3 4.34Å; L296-N350 PolarHBondContact N-O 2.85Å; L296-L351 HydrophobicContact CB-CD1 3.98Å; L296-L351 CarbonylContact O-C 3.36Å; L296-L351 WeakPolarHBondContact O-CA 3.43Å; L296-I352 PolarHBondContact O-N 3.36Å
297	I	98.8	Very high	91.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	110.5	-173.2	-50.3	173.8	0	0	0	109.4	L269 L270 F271 D295 V354 A392 L416	L269-I297 PolarHBondContact O-N 2.71Å; L270-I297 HydrophobicContact CD2-CB 4.26Å; L270-I297 HydrophobicContact CD2-CD1 4.47Å; F271-I297 PolarHBondContact N-O 3.05Å; D295-I297 HydrophobicContact CB-CG1 4.2Å; I297-V354 HydrophobicContact CG2-CG2 3.67Å; I297-A392 VanDerWaalsContact CG2-O 3.32Å; I297-A392 WeakPolarHBondContact CG2-O 3.49Å; I297-L416 HydrophobicContact CD1-CD2 3.79Å
298	N	98.6	Very high	89.2	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118	178.2	179.2	-93.7	0	0	0	111	F271 D329 R330 A333 L351 I352 V354	F271-N298 VanDerWaalsContact O-CB 3.25Å; F271-N298 WeakPolarHBondContact O-CB 3.21Å; F271-N298 PolarHBondContact O-ND2 2.81Å; N298-D329 PolarHBondContact ND2-O 2.89Å; N298-R330 VanDerWaalsContact CB-NH1 3.28Å; N298-R330 PolarHBondContact O-NH1 3.49Å; N298-R330 PolarHBondContact O-NH2 3.27Å; N298-R330 WeakPolarHBondContact OD1-CA 3.23Å; N298-R330 PolarHBondContact OD1-NE 3.35Å; N298-R330 PolarHBondContact OD1-NH1 2.95Å; N298-A333 HydrophobicContact CB-CB 4Å; N298-A333 WeakPolarHBondContact ND2-CB 3.26Å; N298-L351 HydrophobicContact CB-CD1 4.3Å; N298-I352 PolarHBondContact N-O 2.9Å; N298-V354 PolarHBondContact O-N 3.29Å
299	V	98.4	Very high	87	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.073	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135	177.5	69.6	0	0	0	0	111.7	F301 V354 V356 F391 A392	V299-F301 HydrophobicContact CG1-CE2 4.49Å; V299-F301 HydrophobicContact CG2-CD2 4.35Å; V299-F301 HydrophobicContact CG2-CE2 3.66Å; V299-F301 HydrophobicContact CG2-CZ 4.16Å; V299-V354 WeakPolarHBondContact CA-O 3.36Å; V299-V354 HydrophobicContact CB-CB 4.31Å; V299-V354 HydrophobicContact CG2-CB 4.29Å; V299-V354 HydrophobicContact CG2-CG1 4.02Å; V299-V356 HydrophobicContact CG2-CG2 3.84Å; V299-F391 HydrophobicContact CG2-CB 3.78Å; V299-A392 HydrophobicContact CB-CB 3.96Å; V299-A392 HydrophobicContact CG1-CB 3.93Å
300	A	98	Very high	84.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	141.1	175.8	0	0	0	0	0	110.7	A324 A327 R330 V354 V356	A300-A324 HydrophobicContact CB-CB 3.92Å; A300-A324 VanDerWaalsContact CB-O 3.27Å; A300-A324 WeakPolarHBondContact CB-O 3.36Å; A300-A324 WeakPolarHBondContact O-CB 3.15Å; A300-A327 HydrophobicContact CB-CB 3.62Å; A300-R330 HydrophobicContact CB-CB 4.26Å; A300-V354 PolarHBondContact N-O 2.79Å; A300-V356 PolarHBondContact O-N 3.11Å
301	F	96.8	Very high	82.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.2	-175.6	-66.9	-105.5	0	0	0	110.4	V299 V356 I361 L387 A388 F391 S534 V536 A539	V299-F301 HydrophobicContact CG1-CE2 4.49Å; V299-F301 HydrophobicContact CG2-CD2 4.35Å; V299-F301 HydrophobicContact CG2-CE2 3.66Å; V299-F301 HydrophobicContact CG2-CZ 4.16Å; F301-V356 HydrophobicContact CD1-CB 3.62Å; F301-V356 HydrophobicContact CD1-CG1 3.63Å; F301-V356 HydrophobicContact CD1-CG2 4.17Å; F301-V356 HydrophobicContact CE1-CB 3.83Å; F301-V356 HydrophobicContact CE1-CG1 3.6Å; F301-V356 HydrophobicContact CE1-CG2 3.97Å; F301-V356 HydrophobicContact CE2-CG2 4.39Å; F301-V356 HydrophobicContact CG-CB 4.08Å; F301-V356 HydrophobicContact CG-CG2 4.5Å; F301-V356 HydrophobicContact CZ-CB 4.41Å; F301-V356 HydrophobicContact CZ-CG1 4.48Å; F301-V356 HydrophobicContact CZ-CG2 4.08Å; F301-I361 HydrophobicContact CD1-CD1 3.71Å; F301-I361 HydrophobicContact CD1-CG1 3.96Å; F301-I361 HydrophobicContact CE1-CD1 4.34Å; F301-I361 HydrophobicContact CE1-CG1 4.17Å; F301-L387 HydrophobicContact CZ-CB 4.46Å; F301-A388 HydrophobicContact CE2-CB 4.36Å; F301-F391 AromaticContact CE1-CD2 3.71Å; F301-F391 HydrophobicContact CE1-CD2 3.71Å; F301-F391 HydrophobicContact CE1-CE2 4.07Å; F301-F391 HydrophobicContact CE1-CG 4.46Å; F301-F391 HydrophobicContact CZ-CB 4.27Å; F301-F391 AromaticContact CZ-CD2 3.75Å; F301-F391 HydrophobicContact CZ-CD2 3.75Å; F301-F391 HydrophobicContact CZ-CG 4.31Å; F301-S534 PolarHBondContact N-O 3.13Å; F301-V536 HydrophobicContact CD1-CB 4.13Å; F301-V536 HydrophobicContact CD1-CG2 4.01Å; F301-V536 HydrophobicContact CD2-CB 3.67Å; F301-V536 HydrophobicContact CD2-CG2 4.34Å; F301-V536 HydrophobicContact CE1-CB 4.12Å; F301-V536 HydrophobicContact CE1-CG2 3.71Å; F301-V536 HydrophobicContact CE2-CB 3.69Å; F301-V536 HydrophobicContact CE2-CG2 4.08Å; F301-V536 HydrophobicContact CG-CB 3.92Å; F301-V536 HydrophobicContact CG-CG2 4.32Å; F301-V536 HydrophobicContact CZ-CB 3.91Å; F301-V536 HydrophobicContact CZ-CG2 3.76Å; F301-A539 HydrophobicContact CB-CB 4.03Å
302	Q	93.8	Very high	80	Confident	40 Å²	40	48.9 Å²	48.9	19%	0.187	30%	0.298	C	S	.	.			trans	-60.7	154.5	163.9	-74.1	178.3	-10.1	0	0	110.4	I322 A324 V356 N357 V358 A539	Q302-I322 WeakPolarHBondContact CA-O 3.39Å; Q302-A324 HydrophobicContact CG-CB 4.31Å; Q302-V356 PolarHBondContact N-O 3.27Å; Q302-N357 PolarHBondContact NE2-OD1 3.43Å; Q302-N357 PolarHBondContact OE1-OD1 2.97Å; Q302-N357 VanDerWaalsContact OE1-OD1 3.13Å; Q302-V358 HydrophobicContact CB-CG2 3.96Å; Q302-A539 WeakPolarHBondContact O-CA 3.4Å; Q302-A539 WeakPolarHBondContact O-CB 3.49Å
303	R	88.6	Confident	77.6	Confident	71 Å²	71	49.6 Å²	49.6	27%	0.268	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.5	-180	-170.7	179.3	75.5	97.2	-8.4	111.2	I322 K538 A539	R303-I322 HydrophobicContact CB-CB 4.29Å; R303-I322 VanDerWaalsContact CZ-CD1 3.47Å; R303-I322 PolarHBondContact N-O 3.05Å; R303-I322 VanDerWaalsContact N-O 3.07Å; R303-I322 PolarHBondContact O-N 2.82Å; R303-K538 WeakPolarHBondContact CG-O 3.35Å; R303-A539 WeakPolarHBondContact CA-O 3.41Å
304	R	82.9	Confident	75.3	Confident	67 Å²	67	57.7 Å²	57.7	25%	0.253	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135.2	167.7	-68.2	-177.4	176.4	163.1	-0.7	111.4	L321 V358 A539	R304-L321 HydrophobicContact CG-CD2 3.91Å; R304-V358 HydrophobicContact CG-CG1 4.34Å; R304-V358 HydrophobicContact CG-CG2 4.34Å; R304-A539 PolarHBondContact N-O 2.97Å
305	C	75.9	Confident	72.7	Confident	40 Å²	40	62.4 Å²	62.4	27%	0.27	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-59	140.6	171.2	-73.7	0	0	0	0	110.4	G307 V308 S320	C305-G307 PolarHBondContact O-N 3.38Å; C305-V308 HydrophobicContact CB-CG2 4.08Å; C305-S320 WeakPolarHBondContact CB-O 3.49Å; C305-S320 PolarHBondContact N-O 2.99Å; C305-S320 PolarHBondContact SG-O 3.46Å
306	A	67.8	Low	70.5	Confident	90 Å²	90	66.5 Å²	66.5	74%	0.744	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	130.7	178.7	0	0	0	0	0	109.7
307	G	59	Low	68.4	Low	87 Å²	87	72.1 Å²	72.1	90%	0.897	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	-1.4	176.2	0	0	0	0	0	116	C305 S309	C305-G307 PolarHBondContact O-N 3.38Å; G307-S309 PolarHBondContact O-N 2.97Å
308	V	54.2	Low	66.4	Low	79 Å²	79	80.9 Å²	80.9	48%	0.479	47%	0.473	S	S	.	.			trans	-85.5	107.9	172.5	-173.3	0	0	0	0	108.8	C305	C305-V308 HydrophobicContact CB-CG2 4.08Å
309	S	49	Very low	64.6	Low	89 Å²	89	87.8 Å²	87.8	62%	0.622	51%	0.509	S	S	*	.			trans	-69.6	127.5	172.2	45.1	0	0	0	0	110.1	G307 N311	G307-S309 PolarHBondContact O-N 2.97Å; S309-N311 VanDerWaalsContact C-N 3.33Å; S309-N311 PolarHBondContact O-N 3.16Å
310	V	51.3	Low	63.7	Low	91 Å²	91	88.4 Å²	88.4	55%	0.552	51%	0.514	S	S	*	.			trans	-68.3	92.1	172.9	-175.5	0	0	0	0	107.7
311	N	40.8	Very low	63	Low	126 Å²	126	90.6 Å²	90.6	67%	0.674	53%	0.526	S	S	*	.			trans	-80.2	137.3	157.8	-71.4	-12.4	0	0	0	106.8	S309 S313	S309-N311 VanDerWaalsContact C-N 3.33Å; S309-N311 PolarHBondContact O-N 3.16Å; N311-S313 PolarHBondContact O-N 3.09Å
312	N	41.3	Very low	62.7	Low	167 Å²	167	92 Å²	92	89%	0.893	53%	0.533	S	S	*	.	S	Bend	trans	-62.4	50.9	-172.1	-78.4	-18.5	0	0	0	115.4
313	S	42.6	Very low	62.6	Low	68 Å²	68	92.5 Å²	92.5	48%	0.476	54%	0.541	S	S	.	.			trans	-113.2	117.4	167.3	61.2	0	0	0	0	109.3	N311 C315	N311-S313 PolarHBondContact O-N 3.09Å; S313-C315 PolarHBondContact O-N 3.03Å
314	D	48.1	Very low	62.9	Low	178 Å²	178	89.2 Å²	89.2	95%	0.952	53%	0.529	S	S	*	.	S	Bend	trans	-60.3	-2.5	178.9	-74.2	-38.2	0	0	0	114.5	L316	D314-L316 PolarHBondContact O-N 3.38Å
315	C	44.6	Very low	63.4	Low	99 Å²	99	88 Å²	88	67%	0.669	53%	0.526	S	S	*	.			trans	-92.3	84.2	168	46.9	0	0	0	0	110.7	S313 D317	S313-C315 PolarHBondContact O-N 3.03Å; C315-D317 PolarHBondContact O-N 3.47Å
316	L	52	Low	64.3	Low	86 Å²	86	91 Å²	91	45%	0.45	54%	0.536	S	S	.	.			trans	-63.9	114.5	163.8	-75.2	164	0	0	0	108.7	D314 K318	D314-L316 PolarHBondContact O-N 3.38Å; L316-K318 PolarHBondContact O-N 3.44Å
317	D	55.2	Low	65.7	Low	118 Å²	118	86.8 Å²	86.8	63%	0.631	50%	0.501	S	S	*	.			trans	-58.6	129.7	168.9	-106.5	-25.3	0	0	0	109.2	C315 D319 S320	C315-D317 PolarHBondContact O-N 3.47Å; D317-D319 PolarHBondContact O-N 2.99Å; D317-S320 WeakPolarHBondContact O-CB 3.42Å; D317-S320 PolarHBondContact O-N 2.94Å
318	K	56.3	Low	67.5	Low	187 Å²	187	84.8 Å²	84.8	81%	0.813	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-51.3	-30.1	179.9	-82.6	-174.8	174.9	-179.4	0	112.3	L316 S320 L321	L316-K318 PolarHBondContact O-N 3.44Å; K318-S320 PolarHBondContact O-N 2.7Å; K318-S320 VanDerWaalsContact O-N 3.13Å; K318-L321 PolarHBondContact O-N 3.17Å; K318-L321 VanDerWaalsContact O-N 3.16Å
319	D	60.3	Low	69.5	Low	149 Å²	149	81.7 Å²	81.7	80%	0.797	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-63.8	-15.7	179.7	-67.6	-16.7	0	0	0	113.9	D317	D317-D319 PolarHBondContact O-N 2.99Å
320	S	78.8	Confident	71.9	Confident	25 Å²	25	77.4 Å²	77.4	18%	0.175	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-90.6	-1.9	178.4	-61.1	0	0	0	0	114.2	C305 D317 K318	C305-S320 WeakPolarHBondContact CB-O 3.49Å; C305-S320 PolarHBondContact N-O 2.99Å; C305-S320 PolarHBondContact SG-O 3.46Å; D317-S320 WeakPolarHBondContact O-CB 3.42Å; D317-S320 PolarHBondContact O-N 2.94Å; K318-S320 PolarHBondContact O-N 2.7Å; K318-S320 VanDerWaalsContact O-N 3.13Å
321	L	84.2	Confident	74.1	Confident	46 Å²	46	77 Å²	77	24%	0.241	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.8	-175.5	-69.5	169.6	0	0	0	111.5	R304 K318 V358	R304-L321 HydrophobicContact CG-CD2 3.91Å; K318-L321 PolarHBondContact O-N 3.17Å; K318-L321 VanDerWaalsContact O-N 3.16Å; L321-V358 HydrophobicContact CD2-CG2 3.9Å
322	I	89.5	Confident	76.8	Confident	29 Å²	29	71.2 Å²	71.2	15%	0.149	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.5	172.4	-60.5	165.9	0	0	0	108.1	Q302 R303 E326 R535	Q302-I322 WeakPolarHBondContact CA-O 3.39Å; R303-I322 HydrophobicContact CB-CB 4.29Å; R303-I322 VanDerWaalsContact CZ-CD1 3.47Å; R303-I322 PolarHBondContact N-O 3.05Å; R303-I322 VanDerWaalsContact N-O 3.07Å; R303-I322 PolarHBondContact O-N 2.82Å; I322-E326 HydrophobicContact CG2-CB 4.45Å; I322-E326 WeakPolarHBondContact CG2-OE1 3.42Å; I322-R535 VanDerWaalsContact CG2-NH1 3.3Å
323	S	92.7	Very high	79.5	Confident	51 Å²	51	63.3 Å²	63.3	36%	0.357	34%	0.342	S	S	.	.			trans	-61.7	144.9	-176	-178	0	0	0	0	112.2	E325 E326 R535	S323-E325 PolarHBondContact O-N 3.43Å; S323-E325 WeakPolarHBondContact OG-CB 3.42Å; S323-E325 PolarHBondContact OG-N 3.5Å; S323-E325 VanDerWaalsContact OG-N 3.09Å; S323-E326 PolarHBondContact O-N 2.87Å; S323-R535 PolarHBondContact O-NH1 3.11Å
324	A	94.3	Very high	82.2	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.008	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-59.7	-27.6	168.2	0	0	0	0	0	111.4	A300 Q302 E326 A327 N355	A300-A324 HydrophobicContact CB-CB 3.92Å; A300-A324 VanDerWaalsContact CB-O 3.27Å; A300-A324 WeakPolarHBondContact CB-O 3.36Å; A300-A324 WeakPolarHBondContact O-CB 3.15Å; Q302-A324 HydrophobicContact CG-CB 4.31Å; A324-E326 PolarHBondContact O-N 3.38Å; A324-A327 WeakPolarHBondContact O-CB 3.4Å; A324-A327 PolarHBondContact O-N 2.84Å; A324-N355 HydrophobicContact CB-CB 4.07Å
325	E	94.4	Very high	84.6	Confident	43 Å²	43	57.9 Å²	57.9	20%	0.201	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-61.7	-28.9	-180	-67.4	-62.5	161.2	0	0	112.7	S323 A327 R330 Q331 K353 N355	S323-E325 PolarHBondContact O-N 3.43Å; S323-E325 WeakPolarHBondContact OG-CB 3.42Å; S323-E325 PolarHBondContact OG-N 3.5Å; S323-E325 VanDerWaalsContact OG-N 3.09Å; E325-A327 PolarHBondContact O-N 3.23Å; E325-R330 VanDerWaalsContact O-CG 3.3Å; E325-R330 WeakPolarHBondContact O-CG 3.41Å; E325-R330 WeakPolarHBondContact OE2-CD 3.35Å; E325-R330 WeakPolarHBondContact OE2-CG 3.44Å; E325-R330 IonicContact OE2-NE 2.61Å; E325-Q331 PolarHBondContact O-NE2 2.92Å; E325-K353 IonicContact OE1-NZ 2.76Å; E325-K353 PolarHBondContact OE1-NZ 2.77Å; E325-K353 IonicContact OE2-NZ 3.74Å; E325-N355 PolarHBondContact OE1-ND2 3.07Å
326	E	94.4	Very high	87.1	Confident	103 Å²	103	53.2 Å²	53.2	48%	0.481	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-80.7	-2.5	179.3	-61.8	171.2	-118.5	0	0	113	I322 S323 A324 R535	I322-E326 HydrophobicContact CG2-CB 4.45Å; I322-E326 WeakPolarHBondContact CG2-OE1 3.42Å; S323-E326 PolarHBondContact O-N 2.87Å; A324-E326 PolarHBondContact O-N 3.38Å; E326-R535 PolarHBondContact O-NH2 3.1Å
327	A	96.3	Very high	89.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.257	C	S	.	.			trans	-56.1	135.1	179.5	0	0	0	0	0	111.5	A300 A324 E325 D329 R330 Q331 R535	A300-A327 HydrophobicContact CB-CB 3.62Å; A324-A327 WeakPolarHBondContact O-CB 3.4Å; A324-A327 PolarHBondContact O-N 2.84Å; E325-A327 PolarHBondContact O-N 3.23Å; A327-D329 PolarHBondContact O-N 3.38Å; A327-D329 VanDerWaalsContact O-N 3.16Å; A327-R330 HydrophobicContact CB-CB 4.09Å; A327-R330 WeakPolarHBondContact O-CB 3.5Å; A327-R330 PolarHBondContact O-N 3.38Å; A327-Q331 PolarHBondContact O-N 2.95Å; A327-R535 HydrophobicContact CB-CG 4.06Å
328	P	96.9	Very high	91.4	Very high	45 Å²	45	50 Å²	50	29%	0.292	25%	0.248	S	C	.	.	H	α-helix	trans	-53.1	-39.5	-179.1	-28.7	34.2	0	0	0	113.6	T332 R528 G533	P328-T332 WeakPolarHBondContact O-CB 3.43Å; P328-T332 PolarHBondContact O-N 3.08Å; P328-T332 PolarHBondContact O-OG1 3.02Å; P328-R528 VanDerWaalsContact CB-NH1 3.32Å; P328-R528 PolarHBondContact O-NH1 2.83Å; P328-G533 VanDerWaalsContact CD-O 3.32Å; P328-G533 WeakPolarHBondContact CD-O 3.43Å
329	D	97.8	Very high	93.3	Very high	14 Å²	14	42.2 Å²	42.2	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-75.3	-30.9	179	-71.4	2.6	0	0	0	112.1	S272 N298 A327 T332 A333 R528 G533	S272-D329 VanDerWaalsContact O-O 3.09Å; N298-D329 PolarHBondContact ND2-O 2.89Å; A327-D329 PolarHBondContact O-N 3.38Å; A327-D329 VanDerWaalsContact O-N 3.16Å; D329-T332 PolarHBondContact O-N 3.34Å; D329-A333 VanDerWaalsContact O-CB 3.25Å; D329-A333 WeakPolarHBondContact O-CB 3.23Å; D329-A333 PolarHBondContact O-N 3.5Å; D329-R528 IonicContact OD1-NH1 3.64Å; D329-R528 PolarHBondContact OD1-NH1 3.18Å; D329-G533 WeakPolarHBondContact CB-O 3.29Å; D329-G533 PolarHBondContact N-O 3.47Å; D329-G533 WeakPolarHBondContact OD1-CA 3.43Å; D329-G533 VanDerWaalsContact OD2-C 3.31Å; D329-G533 VanDerWaalsContact OD2-CA 3.24Å; D329-G533 WeakPolarHBondContact OD2-CA 3.47Å
330	R	97.9	Very high	95.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-49.4	169.7	175	71	68.7	-143.8	-9	110.9	N298 A300 E325 A327 T332 A333 L334 K353 V354 N355	N298-R330 VanDerWaalsContact CB-NH1 3.28Å; N298-R330 PolarHBondContact O-NH1 3.49Å; N298-R330 PolarHBondContact O-NH2 3.27Å; N298-R330 WeakPolarHBondContact OD1-CA 3.23Å; N298-R330 PolarHBondContact OD1-NE 3.35Å; N298-R330 PolarHBondContact OD1-NH1 2.95Å; A300-R330 HydrophobicContact CB-CB 4.26Å; E325-R330 VanDerWaalsContact O-CG 3.3Å; E325-R330 WeakPolarHBondContact O-CG 3.41Å; E325-R330 WeakPolarHBondContact OE2-CD 3.35Å; E325-R330 WeakPolarHBondContact OE2-CG 3.44Å; E325-R330 IonicContact OE2-NE 2.61Å; A327-R330 HydrophobicContact CB-CB 4.09Å; A327-R330 WeakPolarHBondContact O-CB 3.5Å; A327-R330 PolarHBondContact O-N 3.38Å; R330-T332 PolarHBondContact O-N 2.73Å; R330-A333 PolarHBondContact O-N 2.96Å; R330-L334 HydrophobicContact CG-CD1 4.15Å; R330-L334 WeakPolarHBondContact O-CG 3.27Å; R330-L334 PolarHBondContact O-N 3.42Å; R330-K353 VanDerWaalsContact CZ-CB 3.43Å; R330-K353 VanDerWaalsContact NH1-CB 3.33Å; R330-K353 VanDerWaalsContact NH1-CG 3.33Å; R330-V354 PolarHBondContact NH2-O 2.95Å; R330-N355 PolarHBondContact NH2-OD1 3.49Å
331	Q	97.8	Very high	96	Very high	83 Å²	83	36 Å²	36	39%	0.388	18%	0.182	S	C	.	.	H	α-helix	trans	-61.8	-33.9	179	-65.7	-61.6	-49.5	0	0	112.2	E325 A327	E325-Q331 PolarHBondContact O-NE2 2.92Å; A327-Q331 PolarHBondContact O-N 2.95Å
332	T	98.1	Very high	96.6	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-75	-41.2	177.1	-49.9	0	0	0	0	111.1	G273 P328 D329 R330 K335 S336 Y521 Q525 R528	G273-T332 WeakPolarHBondContact O-CG2 3.21Å; P328-T332 WeakPolarHBondContact O-CB 3.43Å; P328-T332 PolarHBondContact O-N 3.08Å; P328-T332 PolarHBondContact O-OG1 3.02Å; D329-T332 PolarHBondContact O-N 3.34Å; R330-T332 PolarHBondContact O-N 2.73Å; T332-K335 PolarHBondContact O-N 3.1Å; T332-S336 WeakPolarHBondContact O-CB 3.21Å; T332-S336 PolarHBondContact O-N 3.05Å; T332-S336 PolarHBondContact O-OG 2.56Å; T332-Y521 HydrophobicContact CG2-CE1 4.24Å; T332-Q525 HydrophobicContact CG2-CG 4.01Å; T332-R528 PolarHBondContact OG1-NH1 3.14Å; T332-R528 PolarHBondContact OG1-NH2 3.43Å
333	A	98.5	Very high	97	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-43.3	175.9	0	0	0	0	0	112.6	F271 S272 N298 D329 R330 K335 S336 Y337	F271-A333 HydrophobicContact CD1-CB 3.89Å; F271-A333 HydrophobicContact CE1-CB 3.96Å; F271-A333 WeakPolarHBondContact CE1-O 3.26Å; S272-A333 PolarHBondContact O-N 2.63Å; N298-A333 HydrophobicContact CB-CB 4Å; N298-A333 WeakPolarHBondContact ND2-CB 3.26Å; D329-A333 VanDerWaalsContact O-CB 3.25Å; D329-A333 WeakPolarHBondContact O-CB 3.23Å; D329-A333 PolarHBondContact O-N 3.5Å; R330-A333 PolarHBondContact O-N 2.96Å; A333-K335 PolarHBondContact O-N 3.07Å; A333-S336 PolarHBondContact O-N 3.3Å; A333-Y337 WeakPolarHBondContact O-CB 3.33Å; A333-Y337 PolarHBondContact O-N 2.74Å
334	L	98.2	Very high	97.1	Very high	29 Å²	29	42.3 Å²	42.3	15%	0.152	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-47.8	177.4	-70.2	167.3	0	0	0	111.8	R330 Y337 E338 L351	R330-L334 HydrophobicContact CG-CD1 4.15Å; R330-L334 WeakPolarHBondContact O-CG 3.27Å; R330-L334 PolarHBondContact O-N 3.42Å; L334-Y337 WeakPolarHBondContact O-CB 3.32Å; L334-Y337 PolarHBondContact O-N 3.07Å; L334-E338 WeakPolarHBondContact O-CG 3.49Å; L334-E338 PolarHBondContact O-N 3.41Å; L334-L351 HydrophobicContact CD2-CD2 3.86Å
335	K	98.2	Very high	97	Very high	104 Å²	104	46.9 Å²	46.9	45%	0.452	24%	0.244	S	C	.	.	H	α-helix	trans	-68	-39.2	179.2	-69.5	175.6	179	179.3	0	113	T332 A333 Y337 E338 E339 Y521	T332-K335 PolarHBondContact O-N 3.1Å; A333-K335 PolarHBondContact O-N 3.07Å; K335-Y337 VanDerWaalsContact C-N 3.34Å; K335-E338 PolarHBondContact O-N 3.34Å; K335-E339 PolarHBondContact O-N 3.26Å; K335-Y521 HydrophobicContact CB-CD1 3.99Å; K335-Y521 HydrophobicContact CB-CD2 4.46Å; K335-Y521 HydrophobicContact CB-CE1 3.44Å; K335-Y521 VanDerWaalsContact CB-CE1 3.44Å; K335-Y521 HydrophobicContact CB-CE2 3.96Å; K335-Y521 HydrophobicContact CB-CG 4.48Å; K335-Y521 VanDerWaalsContact CB-CZ 3.42Å; K335-Y521 HydrophobicContact CD-CE1 4.42Å; K335-Y521 HydrophobicContact CD-CE2 3.63Å; K335-Y521 VanDerWaalsContact CD-OH 3.25Å; K335-Y521 WeakPolarHBondContact CD-OH 3.42Å; K335-Y521 HydrophobicContact CG-CE2 4.41Å
336	S	98.3	Very high	97	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-71.4	-31.2	175.8	-68.5	0	0	0	0	112.2	G273 S278 T332 A333 E339 L340 Y521	G273-S336 WeakPolarHBondContact O-CB 3.21Å; G273-S336 PolarHBondContact O-OG 3.23Å; S278-S336 PolarHBondContact OG-OG 2.61Å; T332-S336 WeakPolarHBondContact O-CB 3.21Å; T332-S336 PolarHBondContact O-N 3.05Å; T332-S336 PolarHBondContact O-OG 2.56Å; A333-S336 PolarHBondContact O-N 3.3Å; S336-E339 PolarHBondContact O-N 2.72Å; S336-L340 VanDerWaalsContact O-CG 3.28Å; S336-L340 WeakPolarHBondContact O-CG 3.49Å; S336-L340 PolarHBondContact O-N 2.93Å; S336-Y521 WeakPolarHBondContact OG-CD1 3.36Å; S336-Y521 WeakPolarHBondContact OG-CE1 3.45Å
337	Y	98.2	Very high	97.1	Very high	43 Å²	43	50.3 Å²	50.3	17%	0.169	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-47.6	170.2	167.4	-96.5	0	0	0	111.1	L296 A333 L334 K335 E339 L340 C341 W349 L351 H400	L296-Y337 HydrophobicContact CD1-CD2 4.11Å; A333-Y337 WeakPolarHBondContact O-CB 3.33Å; A333-Y337 PolarHBondContact O-N 2.74Å; L334-Y337 WeakPolarHBondContact O-CB 3.32Å; L334-Y337 PolarHBondContact O-N 3.07Å; K335-Y337 VanDerWaalsContact C-N 3.34Å; Y337-E339 VanDerWaalsContact C-N 3.26Å; Y337-E339 PolarHBondContact O-N 3.39Å; Y337-L340 PolarHBondContact O-N 3.03Å; Y337-L340 VanDerWaalsContact O-N 3.13Å; Y337-C341 PolarHBondContact O-N 3.05Å; Y337-C341 PolarHBondContact O-SG 3.04Å; Y337-C341 VanDerWaalsContact O-SG 3.36Å; Y337-W349 HydrophobicContact CD2-CB 4.2Å; Y337-W349 HydrophobicContact CE2-CB 3.64Å; Y337-L351 HydrophobicContact CD1-CD2 4.2Å; Y337-L351 HydrophobicContact CD2-CB 3.64Å; Y337-L351 HydrophobicContact CD2-CD2 4.16Å; Y337-L351 HydrophobicContact CD2-CG 4.42Å; Y337-L351 HydrophobicContact CE2-CB 3.78Å; Y337-L351 HydrophobicContact CG-CB 4.18Å; Y337-L351 HydrophobicContact CG-CD2 3.81Å; Y337-H400 AromaticContact CD1-CD2 3.75Å; Y337-H400 AromaticContact CE1-CD2 3.48Å; Y337-H400 VanDerWaalsContact CE1-CD2 3.48Å; Y337-H400 WeakPolarHBondContact CE1-CD2 3.2Å; Y337-H400 AromaticContact CE1-NE2 3.96Å
338	E	97.7	Very high	97.1	Very high	95 Å²	95	56.3 Å²	56.3	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-58.1	-39.7	174.3	-70.9	171.9	-159.1	0	0	112.4	L334 K335 K342	L334-E338 WeakPolarHBondContact O-CG 3.49Å; L334-E338 PolarHBondContact O-N 3.41Å; K335-E338 PolarHBondContact O-N 3.34Å; E338-K342 WeakPolarHBondContact O-CD 3.48Å; E338-K342 VanDerWaalsContact O-CG 3.27Å; E338-K342 WeakPolarHBondContact O-CG 3.45Å; E338-K342 PolarHBondContact O-N 3.12Å; E338-K342 VanDerWaalsContact O-N 3.13Å
339	E	97.9	Very high	97.1	Very high	23 Å²	23	54.8 Å²	54.8	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-46.1	174.4	178.3	164.8	-112.5	0	0	111.6	K335 S336 Y337 K342 L343 L519 N520 Y521 A522	K335-E339 PolarHBondContact O-N 3.26Å; S336-E339 PolarHBondContact O-N 2.72Å; Y337-E339 VanDerWaalsContact C-N 3.26Å; Y337-E339 PolarHBondContact O-N 3.39Å; E339-K342 PolarHBondContact O-N 2.91Å; E339-L343 HydrophobicContact CG-CD1 4.22Å; E339-L343 WeakPolarHBondContact O-CG 3.48Å; E339-L343 PolarHBondContact O-N 3.27Å; E339-L519 HydrophobicContact CG-CD2 4.13Å; E339-N520 WeakPolarHBondContact OE1-CA 3.3Å; E339-N520 PolarHBondContact OE1-N 3.26Å; E339-Y521 WeakPolarHBondContact OE1-CB 3.39Å; E339-Y521 PolarHBondContact OE1-N 3.05Å; E339-Y521 PolarHBondContact OE2-N 3Å; E339-A522 PolarHBondContact OE2-N 3.33Å
340	L	98.2	Very high	97.1	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-43.5	177.1	-71.1	167.1	0	0	0	112.5	F271 A281 A282 L296 S336 Y337 K342 L343 S344 W349 L519	F271-L340 HydrophobicContact CE2-CD1 3.9Å; F271-L340 HydrophobicContact CZ-CD1 3.71Å; A281-L340 HydrophobicContact CB-CD1 3.63Å; A281-L340 HydrophobicContact CB-CD2 3.95Å; A281-L340 HydrophobicContact CB-CG 4.47Å; A282-L340 HydrophobicContact CB-CD2 4.21Å; L296-L340 HydrophobicContact CD1-CD1 3.92Å; S336-L340 VanDerWaalsContact O-CG 3.28Å; S336-L340 WeakPolarHBondContact O-CG 3.49Å; S336-L340 PolarHBondContact O-N 2.93Å; Y337-L340 PolarHBondContact O-N 3.03Å; Y337-L340 VanDerWaalsContact O-N 3.13Å; L340-K342 VanDerWaalsContact C-N 3.28Å; L340-K342 PolarHBondContact O-N 2.87Å; L340-L343 PolarHBondContact O-N 2.84Å; L340-L343 VanDerWaalsContact O-N 3.16Å; L340-S344 PolarHBondContact O-N 3.47Å; L340-W349 HydrophobicContact CB-CZ2 4.35Å; L340-W349 HydrophobicContact CD2-CZ2 4.36Å; L340-L519 HydrophobicContact CD2-CD2 4.15Å
341	C	97.2	Very high	97.1	Very high	40 Å²	40	54.5 Å²	54.5	27%	0.27	26%	0.263	S	S	.	.	H	α-helix	trans	-61.5	-35.7	176.2	-69.4	0	0	0	0	112.4	Y337 S344 A345	Y337-C341 PolarHBondContact O-N 3.05Å; Y337-C341 PolarHBondContact O-SG 3.04Å; Y337-C341 VanDerWaalsContact O-SG 3.36Å; C341-S344 CarbonylContact O-C 3.55Å; C341-A345 PolarHBondContact O-N 3.38Å
342	K	97.1	Very high	97.1	Very high	164 Å²	164	50.5 Å²	50.5	71%	0.713	25%	0.245	S	C	*	.	H	α-helix	trans	-70.1	-36.8	174.9	-73.1	167	-173.4	165.1	0	112.2	E338 E339 L340	E338-K342 WeakPolarHBondContact O-CD 3.48Å; E338-K342 VanDerWaalsContact O-CG 3.27Å; E338-K342 WeakPolarHBondContact O-CG 3.45Å; E338-K342 PolarHBondContact O-N 3.12Å; E338-K342 VanDerWaalsContact O-N 3.13Å; E339-K342 PolarHBondContact O-N 2.91Å; L340-K342 VanDerWaalsContact C-N 3.28Å; L340-K342 PolarHBondContact O-N 2.87Å
343	L	96.7	Very high	97.1	Very high	74 Å²	74	51.5 Å²	51.5	39%	0.387	25%	0.249	S	C	.	.	H	α-helix	trans	-71.1	-37.1	178.5	-71.3	173.7	0	0	0	112.4	E339 L340 N518 L519	E339-L343 HydrophobicContact CG-CD1 4.22Å; E339-L343 WeakPolarHBondContact O-CG 3.48Å; E339-L343 PolarHBondContact O-N 3.27Å; L340-L343 PolarHBondContact O-N 2.84Å; L340-L343 VanDerWaalsContact O-N 3.16Å; L343-N518 HydrophobicContact CD2-CB 3.51Å; L343-L519 HydrophobicContact CD1-CD2 3.52Å; L343-L519 HydrophobicContact CD1-CG 4.17Å
344	S	95.1	Very high	97.1	Very high	21 Å²	21	51.5 Å²	51.5	15%	0.147	25%	0.249	C	C	.	.			trans	-138.6	88.5	-178.4	-169.6	0	0	0	0	110.8	D285 L340 C341 R346 R347	D285-S344 PolarHBondContact OD1-OG 3.34Å; D285-S344 WeakPolarHBondContact OD2-CB 3.41Å; D285-S344 PolarHBondContact OD2-OG 3.3Å; L340-S344 PolarHBondContact O-N 3.47Å; C341-S344 CarbonylContact O-C 3.55Å; S344-R346 PolarHBondContact O-N 2.78Å; S344-R347 PolarHBondContact O-N 3.48Å
345	A	92.7	Very high	97	Very high	98 Å²	98	52 Å²	52	81%	0.81	25%	0.252	S	S	*	.	S	Bend	trans	-71.3	-16.5	-179.1	0	0	0	0	0	113.5	C341	C341-A345 PolarHBondContact O-N 3.38Å
346	R	94.1	Very high	97	Very high	198 Å²	198	47.1 Å²	47.1	75%	0.747	23%	0.23	S	C	*	.	S	Bend	trans	-86	-26.6	179.8	-60	-169.9	-174.2	-165.5	0.1	112.8	E290 S344 K348	E290-R346 WeakPolarHBondContact OE1-CD 3.24Å; E290-R346 IonicContact OE1-NH1 3.59Å; S344-R346 PolarHBondContact O-N 2.78Å; R346-K348 PolarHBondContact O-N 3.05Å
347	R	96.6	Very high	96.7	Very high	19 Å²	19	49.9 Å²	49.9	7%	0.072	25%	0.245	C	C	.	.	S	Bend	trans	-70	127.7	180	179.2	56.3	61.7	-172.4	1.3	111	D285 V288 P289 Q292 I294 S344 W349	D285-R347 PolarHBondContact O-NH2 2.89Å; D285-R347 WeakPolarHBondContact OD1-CB 3.31Å; D285-R347 VanDerWaalsContact OD1-CG 3.29Å; D285-R347 WeakPolarHBondContact OD1-CG 3.28Å; D285-R347 IonicContact OD1-CZ 2.81Å; D285-R347 IonicContact OD1-NE 3.6Å; D285-R347 PolarHBondContact OD1-NE 3.48Å; D285-R347 IonicContact OD1-NH2 3.05Å; D285-R347 PolarHBondContact OD1-NH2 2.99Å; V288-R347 PolarHBondContact O-NH2 3.18Å; P289-R347 PolarHBondContact O-NH1 3.43Å; Q292-R347 PolarHBondContact O-NH1 3.36Å; I294-R347 HydrophobicContact CD1-CG 4.44Å; S344-R347 PolarHBondContact O-N 3.48Å; R347-W349 HydrophobicContact CB-CZ2 4.28Å; R347-W349 HydrophobicContact CG-CD2 3.63Å; R347-W349 HydrophobicContact CG-CE3 4.2Å; R347-W349 HydrophobicContact CG-CG 3.98Å; R347-W349 HydrophobicContact CG-CH2 4.19Å; R347-W349 HydrophobicContact CG-CZ2 3.65Å; R347-W349 HydrophobicContact CG-CZ3 4.46Å; R347-W349 PolarHBondContact O-N 3.24Å
348	K	96	Very high	96.3	Very high	127 Å²	127	48.1 Å²	48.1	55%	0.552	24%	0.239	S	C	*	.			trans	-76.7	99.1	164.5	-174.1	176.5	171.2	-164.2	0	110	S293 I294 R346 N350	S293-K348 VanDerWaalsContact CA-O 3.27Å; S293-K348 WeakPolarHBondContact CA-O 3.22Å; S293-K348 VanDerWaalsContact CB-O 3.32Å; S293-K348 WeakPolarHBondContact CB-O 3.37Å; I294-K348 PolarHBondContact N-O 3.05Å; I294-K348 VanDerWaalsContact N-O 3.1Å; R346-K348 PolarHBondContact O-N 3.05Å; K348-N350 VanDerWaalsContact CE-OD1 3.29Å; K348-N350 WeakPolarHBondContact CE-OD1 3.3Å
349	W	97.1	Very high	95.8	Very high	13 Å²	13	47.9 Å²	47.9	5%	0.049	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.2	170.7	-63.4	106.2	0	0	0	110.3	A281 D285 I294 L296 Y337 L340 R347	A281-W349 HydrophobicContact CB-CH2 4.31Å; A281-W349 HydrophobicContact CB-CZ3 4.35Å; A281-W349 WeakPolarHBondContact O-CH2 3.41Å; D285-W349 HydrophobicContact CB-CH2 3.84Å; D285-W349 HydrophobicContact CB-CZ2 3.75Å; I294-W349 HydrophobicContact CB-CE3 3.91Å; I294-W349 HydrophobicContact CB-CZ3 3.76Å; I294-W349 HydrophobicContact CD1-CE3 4.42Å; I294-W349 HydrophobicContact CD1-CH2 3.82Å; I294-W349 HydrophobicContact CD1-CZ3 3.64Å; I294-W349 HydrophobicContact CG1-CZ3 4.3Å; I294-W349 HydrophobicContact CG2-CE3 4.19Å; I294-W349 HydrophobicContact CG2-CZ3 3.77Å; L296-W349 HydrophobicContact CD1-CB 4.45Å; L296-W349 HydrophobicContact CD1-CD2 4.26Å; L296-W349 HydrophobicContact CD1-CE3 3.73Å; L296-W349 HydrophobicContact CD1-CZ3 4.38Å; L296-W349 HydrophobicContact CD2-CE3 3.95Å; L296-W349 HydrophobicContact CD2-CZ3 3.95Å; L296-W349 HydrophobicContact CG-CE3 3.83Å; L296-W349 HydrophobicContact CG-CZ3 4.34Å; Y337-W349 HydrophobicContact CD2-CB 4.2Å; Y337-W349 HydrophobicContact CE2-CB 3.64Å; L340-W349 HydrophobicContact CB-CZ2 4.35Å; L340-W349 HydrophobicContact CD2-CZ2 4.36Å; R347-W349 HydrophobicContact CB-CZ2 4.28Å; R347-W349 HydrophobicContact CG-CD2 3.63Å; R347-W349 HydrophobicContact CG-CE3 4.2Å; R347-W349 HydrophobicContact CG-CG 3.98Å; R347-W349 HydrophobicContact CG-CH2 4.19Å; R347-W349 HydrophobicContact CG-CZ2 3.65Å; R347-W349 HydrophobicContact CG-CZ3 4.46Å; R347-W349 PolarHBondContact O-N 3.24Å
350	N	97.1	Very high	95.5	Very high	7 Å²	7	49 Å²	49	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	93.2	172.2	-59.1	-32.2	0	0	0	109.1	S265 S293 I294 D295 L296 K348 I352 L399	S265-N350 PolarHBondContact OG-ND2 3.48Å; S265-N350 VanDerWaalsContact OG-ND2 3.08Å; S293-N350 VanDerWaalsContact CB-ND2 3.34Å; S293-N350 WeakPolarHBondContact CB-ND2 3.33Å; S293-N350 PolarHBondContact OG-ND2 3.28Å; S293-N350 VanDerWaalsContact OG-ND2 3.14Å; I294-N350 PolarHBondContact O-N 3.38Å; D295-N350 VanDerWaalsContact OD1-CB 3.31Å; D295-N350 WeakPolarHBondContact OD1-CB 3.38Å; D295-N350 PolarHBondContact OD1-ND2 2.95Å; L296-N350 PolarHBondContact N-O 2.85Å; K348-N350 VanDerWaalsContact CE-OD1 3.29Å; K348-N350 WeakPolarHBondContact CE-OD1 3.3Å; N350-I352 HydrophobicContact CB-CG1 4.45Å; N350-I352 PolarHBondContact O-N 3.26Å; N350-I352 VanDerWaalsContact O-N 3.14Å; N350-L399 HydrophobicContact CB-CD1 3.81Å
351	L	98.1	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	100.6	172	177.3	67.6	0	0	0	109.7	F271 L296 N298 L334 Y337 H400	F271-L351 HydrophobicContact CD1-CD1 4.01Å; F271-L351 HydrophobicContact CE1-CD1 4.44Å; L296-L351 HydrophobicContact CB-CD1 3.98Å; L296-L351 CarbonylContact O-C 3.36Å; L296-L351 WeakPolarHBondContact O-CA 3.43Å; N298-L351 HydrophobicContact CB-CD1 4.3Å; L334-L351 HydrophobicContact CD2-CD2 3.86Å; Y337-L351 HydrophobicContact CD1-CD2 4.2Å; Y337-L351 HydrophobicContact CD2-CB 3.64Å; Y337-L351 HydrophobicContact CD2-CD2 4.16Å; Y337-L351 HydrophobicContact CD2-CG 4.42Å; Y337-L351 HydrophobicContact CE2-CB 3.78Å; Y337-L351 HydrophobicContact CG-CB 4.18Å; Y337-L351 HydrophobicContact CG-CD2 3.81Å; L351-H400 HydrophobicContact CB-CB 3.92Å; L351-H400 HydrophobicContact CD2-CB 3.84Å; L351-H400 HydrophobicContact CG-CB 3.98Å; L351-H400 WeakPolarHBondContact O-CB 3.24Å; L351-H400 PolarHBondContact O-N 2.89Å
352	I	98.2	Very high	94.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.3	-179.7	-58.4	172.6	0	0	0	108.9	D295 L296 N298 N350 V354	D295-I352 HydrophobicContact CB-CD1 4.05Å; L296-I352 PolarHBondContact O-N 3.36Å; N298-I352 PolarHBondContact N-O 2.9Å; N350-I352 HydrophobicContact CB-CG1 4.45Å; N350-I352 PolarHBondContact O-N 3.26Å; N350-I352 VanDerWaalsContact O-N 3.14Å; I352-V354 HydrophobicContact CG2-CG2 4.38Å; I352-V354 PolarHBondContact O-N 2.95Å
353	K	98.1	Very high	94.1	Very high	25 Å²	25	47.2 Å²	47.2	11%	0.109	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	95	179.5	-55	-169.5	-65.5	156.8	0	111.1	E325 R330 N355 G397 V398 H400	E325-K353 IonicContact OE1-NZ 2.76Å; E325-K353 PolarHBondContact OE1-NZ 2.77Å; E325-K353 IonicContact OE2-NZ 3.74Å; R330-K353 VanDerWaalsContact CZ-CB 3.43Å; R330-K353 VanDerWaalsContact NH1-CB 3.33Å; R330-K353 VanDerWaalsContact NH1-CG 3.33Å; K353-N355 PolarHBondContact O-N 2.89Å; K353-G397 CarbonylContact O-C 3.53Å; K353-G397 WeakPolarHBondContact O-CA 3.28Å; K353-V398 WeakPolarHBondContact CB-O 3.31Å; K353-V398 PolarHBondContact N-O 3.16Å; K353-V398 PolarHBondContact O-N 3Å; K353-H400 HydrophobicContact CD-CB 4.26Å; K353-H400 HydrophobicContact CG-CB 4.27Å
354	V	98.1	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	102.5	172.8	-178.1	0	0	0	0	108.6	I297 N298 V299 A300 R330 I352 V356 F391	I297-V354 HydrophobicContact CG2-CG2 3.67Å; N298-V354 PolarHBondContact O-N 3.29Å; V299-V354 WeakPolarHBondContact CA-O 3.36Å; V299-V354 HydrophobicContact CB-CB 4.31Å; V299-V354 HydrophobicContact CG2-CB 4.29Å; V299-V354 HydrophobicContact CG2-CG1 4.02Å; A300-V354 PolarHBondContact N-O 2.79Å; R330-V354 PolarHBondContact NH2-O 2.95Å; I352-V354 HydrophobicContact CG2-CG2 4.38Å; I352-V354 PolarHBondContact O-N 2.95Å; V354-V356 HydrophobicContact CG1-CG2 4.1Å; V354-F391 HydrophobicContact CG1-CB 4.47Å; V354-F391 WeakPolarHBondContact CG1-O 3.49Å
355	N	97	Very high	93.6	Very high	40 Å²	40	43.9 Å²	43.9	21%	0.214	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	111.4	179	-69.5	-24.8	0	0	0	108.9	A324 E325 R330 K353	A324-N355 HydrophobicContact CB-CB 4.07Å; E325-N355 PolarHBondContact OE1-ND2 3.07Å; R330-N355 PolarHBondContact NH2-OD1 3.49Å; K353-N355 PolarHBondContact O-N 2.89Å
356	V	96.7	Very high	93.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.2	-175	-174	0	0	0	0	110.2	V299 A300 F301 Q302 V354 E360 I361 F391	V299-V356 HydrophobicContact CG2-CG2 3.84Å; A300-V356 PolarHBondContact O-N 3.11Å; F301-V356 HydrophobicContact CD1-CB 3.62Å; F301-V356 HydrophobicContact CD1-CG1 3.63Å; F301-V356 HydrophobicContact CD1-CG2 4.17Å; F301-V356 HydrophobicContact CE1-CB 3.83Å; F301-V356 HydrophobicContact CE1-CG1 3.6Å; F301-V356 HydrophobicContact CE1-CG2 3.97Å; F301-V356 HydrophobicContact CE2-CG2 4.39Å; F301-V356 HydrophobicContact CG-CB 4.08Å; F301-V356 HydrophobicContact CG-CG2 4.5Å; F301-V356 HydrophobicContact CZ-CB 4.41Å; F301-V356 HydrophobicContact CZ-CG1 4.48Å; F301-V356 HydrophobicContact CZ-CG2 4.08Å; Q302-V356 PolarHBondContact N-O 3.27Å; V354-V356 HydrophobicContact CG1-CG2 4.1Å; V356-E360 HydrophobicContact CG1-CB 4.29Å; V356-I361 HydrophobicContact CG1-CG1 4.01Å; V356-F391 HydrophobicContact CB-CD1 4.42Å; V356-F391 HydrophobicContact CB-CG 4.48Å; V356-F391 HydrophobicContact CG1-CD1 3.89Å; V356-F391 HydrophobicContact CG1-CD2 3.98Å; V356-F391 HydrophobicContact CG1-CE1 3.65Å; V356-F391 HydrophobicContact CG1-CE2 3.76Å; V356-F391 HydrophobicContact CG1-CG 4.05Å; V356-F391 HydrophobicContact CG1-CZ 3.58Å; V356-F391 HydrophobicContact CG2-CB 3.71Å; V356-F391 HydrophobicContact CG2-CD1 3.64Å; V356-F391 HydrophobicContact CG2-CD2 4.14Å; V356-F391 HydrophobicContact CG2-CE1 4.26Å; V356-F391 HydrophobicContact CG2-CG 3.57Å
357	N	93.6	Very high	92.6	Very high	59 Å²	59	36.7 Å²	36.7	32%	0.316	19%	0.189	S	C	.	.			trans	-77.5	150.8	174.6	-58.8	-63.5	0	0	0	111.2	Q302 S359 E360	Q302-N357 PolarHBondContact NE2-OD1 3.43Å; Q302-N357 PolarHBondContact OE1-OD1 2.97Å; Q302-N357 VanDerWaalsContact OE1-OD1 3.13Å; N357-S359 PolarHBondContact O-N 3.39Å; N357-E360 HydrophobicContact CB-CG 4.39Å; N357-E360 WeakPolarHBondContact CB-OE2 3.35Å; N357-E360 PolarHBondContact N-OE2 3.01Å; N357-E360 VanDerWaalsContact N-OE2 3.11Å; N357-E360 PolarHBondContact ND2-OE2 3.49Å; N357-E360 PolarHBondContact O-N 3.47Å; N357-E360 VanDerWaalsContact O-N 3.1Å
358	V	88.8	Confident	92.1	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-31.8	-179.9	-179	0	0	0	0	112.1	Q302 R304 L321 I361 E540	Q302-V358 HydrophobicContact CB-CG2 3.96Å; R304-V358 HydrophobicContact CG-CG1 4.34Å; R304-V358 HydrophobicContact CG-CG2 4.34Å; L321-V358 HydrophobicContact CD2-CG2 3.9Å; V358-I361 PolarHBondContact O-N 3.09Å; V358-E540 HydrophobicContact CG1-CG 4.12Å
359	S	87.7	Confident	91.8	Very high	91 Å²	91	32 Å²	32	64%	0.636	17%	0.17	S	C	*	.	H	α-helix	trans	-66.5	-34.2	177.3	49.8	0	0	0	0	113.5	N357 I361	N357-S359 PolarHBondContact O-N 3.39Å; S359-I361 VanDerWaalsContact C-N 3.29Å; S359-I361 PolarHBondContact O-N 3.34Å
360	E	92.2	Very high	91.3	Very high	47 Å²	47	31.8 Å²	31.8	22%	0.22	17%	0.169	C	C	.	.	H	α-helix	trans	-70.4	-27.4	179.9	-68.3	173.4	73.6	0	0	112	V356 N357 A364 F391 R394	V356-E360 HydrophobicContact CG1-CB 4.29Å; N357-E360 HydrophobicContact CB-CG 4.39Å; N357-E360 WeakPolarHBondContact CB-OE2 3.35Å; N357-E360 PolarHBondContact N-OE2 3.01Å; N357-E360 VanDerWaalsContact N-OE2 3.11Å; N357-E360 PolarHBondContact ND2-OE2 3.49Å; N357-E360 PolarHBondContact O-N 3.47Å; N357-E360 VanDerWaalsContact O-N 3.1Å; E360-A364 VanDerWaalsContact O-CB 3.3Å; E360-A364 WeakPolarHBondContact O-CB 3.34Å; E360-A364 PolarHBondContact O-N 3.04Å; E360-F391 HydrophobicContact CB-CE1 4.07Å; E360-F391 HydrophobicContact CB-CZ 3.92Å; E360-R394 IonicContact OE1-CZ 3.59Å; E360-R394 IonicContact OE1-NH1 3.21Å; E360-R394 PolarHBondContact OE1-NH1 3.24Å; E360-R394 IonicContact OE1-NH2 3.03Å; E360-R394 PolarHBondContact OE1-NH2 2.88Å
361	I	91.5	Very high	90.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-51	-174.7	-59.5	175.5	0	0	0	110.6	F301 V356 V358 S359 E363 A364 R365 L387 A539 E540	F301-I361 HydrophobicContact CD1-CD1 3.71Å; F301-I361 HydrophobicContact CD1-CG1 3.96Å; F301-I361 HydrophobicContact CE1-CD1 4.34Å; F301-I361 HydrophobicContact CE1-CG1 4.17Å; V356-I361 HydrophobicContact CG1-CG1 4.01Å; V358-I361 PolarHBondContact O-N 3.09Å; S359-I361 VanDerWaalsContact C-N 3.29Å; S359-I361 PolarHBondContact O-N 3.34Å; I361-E363 PolarHBondContact O-N 3.14Å; I361-A364 PolarHBondContact O-N 2.86Å; I361-R365 WeakPolarHBondContact O-CB 3.25Å; I361-R365 PolarHBondContact O-N 3.31Å; I361-L387 HydrophobicContact CG2-CD1 3.88Å; I361-L387 HydrophobicContact CG2-CD2 4.17Å; I361-A539 HydrophobicContact CD1-CB 3.45Å; I361-A539 VanDerWaalsContact CD1-CB 3.45Å; I361-E540 HydrophobicContact CD1-CG 4.38Å; I361-E540 HydrophobicContact CG2-CG 4.47Å
362	S	85.5	Confident	90.3	Very high	45 Å²	45	31.8 Å²	31.8	32%	0.315	17%	0.169	S	C	.	.	H	α-helix	trans	-61.5	-43.4	-176.1	-60.3	0	0	0	0	112.3	V366 E540	S362-V366 PolarHBondContact O-N 3.09Å; S362-E540 PolarHBondContact OG-OE1 3.2Å
363	E	86.3	Confident	89.8	Confident	121 Å²	121	31.9 Å²	31.9	57%	0.565	17%	0.169	S	C	*	.	H	α-helix	trans	-67.4	-52	179.5	-172.5	-176.8	170.8	0	0	110.8	I361 R365 V366 K367	I361-E363 PolarHBondContact O-N 3.14Å; E363-R365 VanDerWaalsContact C-N 3.26Å; E363-R365 PolarHBondContact O-N 3.36Å; E363-V366 PolarHBondContact O-N 3.06Å; E363-K367 WeakPolarHBondContact O-CB 3.47Å; E363-K367 PolarHBondContact O-N 2.85Å; E363-K367 IonicContact OE1-NZ 3.05Å
364	A	90.2	Very high	89.1	Confident	6 Å²	6	30.7 Å²	30.7	5%	0.05	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-36.7	-179.6	0	0	0	0	0	112.1	E360 I361 H368 V369 W390 F391	E360-A364 VanDerWaalsContact O-CB 3.3Å; E360-A364 WeakPolarHBondContact O-CB 3.34Å; E360-A364 PolarHBondContact O-N 3.04Å; I361-A364 PolarHBondContact O-N 2.86Å; A364-H368 WeakPolarHBondContact O-CA 3.32Å; A364-H368 WeakPolarHBondContact O-CB 3.49Å; A364-H368 PolarHBondContact O-N 3.12Å; A364-V369 PolarHBondContact O-N 3.43Å; A364-W390 HydrophobicContact CB-CE3 4.04Å; A364-W390 HydrophobicContact CB-CH2 4.23Å; A364-W390 HydrophobicContact CB-CZ3 3.76Å; A364-F391 HydrophobicContact CB-CE1 4.32Å; A364-F391 HydrophobicContact CB-CE2 3.78Å; A364-F391 HydrophobicContact CB-CZ 3.45Å; A364-F391 VanDerWaalsContact CB-CZ 3.45Å
365	R	89.7	Confident	88.3	Confident	20 Å²	20	31.3 Å²	31.3	8%	0.075	17%	0.168	C	C	.	.	I	π-helix	trans	-56	-57.7	176.3	179.5	-175.9	-71.4	133.2	-4.5	111.3	I361 E363 V369 W370 D383 L387 E540	I361-R365 WeakPolarHBondContact O-CB 3.25Å; I361-R365 PolarHBondContact O-N 3.31Å; E363-R365 VanDerWaalsContact C-N 3.26Å; E363-R365 PolarHBondContact O-N 3.36Å; R365-V369 PolarHBondContact O-N 3.41Å; R365-W370 VanDerWaalsContact CD-CE2 3.48Å; R365-W370 VanDerWaalsContact CD-CZ2 3.47Å; R365-W370 HydrophobicContact CG-CD2 3.88Å; R365-W370 VanDerWaalsContact CG-CE2 3.43Å; R365-W370 HydrophobicContact CG-CG 4.06Å; R365-W370 HydrophobicContact CG-CZ2 3.96Å; R365-W370 WeakPolarHBondContact O-CB 3.31Å; R365-W370 PolarHBondContact O-N 2.64Å; R365-D383 WeakPolarHBondContact CD-OD1 3.14Å; R365-D383 WeakPolarHBondContact CG-OD1 3.28Å; R365-D383 IonicContact CZ-OD2 2.67Å; R365-D383 IonicContact NE-OD1 3Å; R365-D383 PolarHBondContact NE-OD1 3.17Å; R365-D383 VanDerWaalsContact NE-OD1 3.17Å; R365-D383 IonicContact NE-OD2 2.88Å; R365-D383 PolarHBondContact NE-OD2 2.79Å; R365-D383 VanDerWaalsContact NE-OD2 3.13Å; R365-D383 IonicContact NH2-OD2 3.01Å; R365-D383 PolarHBondContact NH2-OD2 2.81Å; R365-L387 HydrophobicContact CB-CD2 4.15Å; R365-E540 IonicContact CZ-OE1 2.96Å; R365-E540 IonicContact CZ-OE2 3.8Å; R365-E540 VanDerWaalsContact CZ-OE2 3.27Å; R365-E540 VanDerWaalsContact NH1-CD 3.3Å; R365-E540 IonicContact NH1-OE1 2.69Å; R365-E540 PolarHBondContact NH1-OE1 3.21Å; R365-E540 IonicContact NH1-OE2 3.72Å; R365-E540 PolarHBondContact NH1-OE2 3.48Å; R365-E540 IonicContact NH2-OE1 3.66Å; R365-E540 IonicContact NH2-OE2 3.86Å; R365-E540 PolarHBondContact NH2-OE2 2.81Å
366	V	83	Confident	87	Confident	51 Å²	51	33.9 Å²	33.9	31%	0.309	18%	0.179	S	C	.	.	I	π-helix	trans	-71.5	-45.6	-174.1	171.4	0	0	0	0	111.1	L141 S362 E363 W370 P371	L141-V366 HydrophobicContact CD2-CG1 3.85Å; L141-V366 HydrophobicContact CD2-CG2 4.45Å; L141-V366 HydrophobicContact CG-CG1 4.3Å; S362-V366 PolarHBondContact O-N 3.09Å; E363-V366 PolarHBondContact O-N 3.06Å; V366-W370 HydrophobicContact CG2-CE3 4.05Å; V366-W370 HydrophobicContact CG2-CZ3 3.95Å; V366-P371 WeakPolarHBondContact O-CD 3.47Å
367	K	82.6	Confident	85.4	Confident	93 Å²	93	36.5 Å²	36.5	40%	0.404	19%	0.191	S	C	.	.	I	π-helix	trans	-77	-31	-171.1	-166.4	175.8	-178.1	169.7	0	113.4	E363	E363-K367 WeakPolarHBondContact O-CB 3.47Å; E363-K367 PolarHBondContact O-N 2.85Å; E363-K367 IonicContact OE1-NZ 3.05Å
368	H	86.6	Confident	84.3	Confident	49 Å²	49	35 Å²	35	23%	0.227	18%	0.184	C	C	.	.	I	π-helix	trans	-127.1	-57.3	-170	-55.6	-55	0	0	0	112.9	V129 A364 P371 L372 W390	V129-H368 HydrophobicContact CG1-CB 4.45Å; A364-H368 WeakPolarHBondContact O-CA 3.32Å; A364-H368 WeakPolarHBondContact O-CB 3.49Å; A364-H368 PolarHBondContact O-N 3.12Å; H368-P371 WeakPolarHBondContact O-CD 3.2Å; H368-L372 WeakPolarHBondContact O-CD1 3.41Å; H368-L372 WeakPolarHBondContact O-CG 3.01Å; H368-L372 PolarHBondContact O-N 3.06Å; H368-W390 HydrophobicContact CB-CD2 4.48Å; H368-W390 HydrophobicContact CB-CZ2 3.79Å; H368-W390 AromaticContact CD2-CH2 3.67Å; H368-W390 AromaticContact CD2-CZ2 3.25Å; H368-W390 WeakPolarHBondContact CD2-CZ2 3.33Å; H368-W390 AromaticContact CG-CE2 3.95Å; H368-W390 AromaticContact CG-CZ2 3.57Å
369	V	89.7	Confident	84.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-67.5	-51.9	-169	177.5	0	0	0	0	111.8	A364 R365 L372 L373 L387 W390 I466	A364-V369 PolarHBondContact O-N 3.43Å; R365-V369 PolarHBondContact O-N 3.41Å; V369-L372 CarbonylContact O-C 3.51Å; V369-L372 WeakPolarHBondContact O-CA 3.45Å; V369-L372 WeakPolarHBondContact O-CB 3.42Å; V369-L372 PolarHBondContact O-N 3.5Å; V369-L373 HydrophobicContact CG1-CD1 4.31Å; V369-L373 HydrophobicContact CG1-CD2 4.31Å; V369-L373 HydrophobicContact CG1-CG 4.11Å; V369-L373 WeakPolarHBondContact O-CG 3.28Å; V369-L373 PolarHBondContact O-N 3.37Å; V369-L387 HydrophobicContact CG1-CG 4.41Å; V369-L387 HydrophobicContact CG2-CD2 3.86Å; V369-L387 HydrophobicContact CG2-CG 4.24Å; V369-W390 HydrophobicContact CG2-CB 3.8Å; V369-W390 HydrophobicContact CG2-CD2 4.4Å; V369-W390 HydrophobicContact CG2-CG 3.85Å; V369-I466 HydrophobicContact CB-CD1 4.48Å; V369-I466 HydrophobicContact CG1-CD1 4.01Å
370	W	87.4	Confident	84.2	Confident	8 Å²	8	33.7 Å²	33.7	3%	0.03	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-47.4	-178.2	-80.6	2.2	0	0	0	113.6	L141 L144 R365 V366 L372 L373 D383 I552 F554 Y556	L141-W370 HydrophobicContact CD1-CZ3 4.11Å; L141-W370 HydrophobicContact CD2-CE3 3.29Å; L141-W370 HydrophobicContact CD2-CZ3 3.29Å; L141-W370 HydrophobicContact CG-CZ3 4.31Å; L144-W370 HydrophobicContact CD2-CB 4.05Å; R365-W370 VanDerWaalsContact CD-CE2 3.48Å; R365-W370 VanDerWaalsContact CD-CZ2 3.47Å; R365-W370 HydrophobicContact CG-CD2 3.88Å; R365-W370 VanDerWaalsContact CG-CE2 3.43Å; R365-W370 HydrophobicContact CG-CG 4.06Å; R365-W370 HydrophobicContact CG-CZ2 3.96Å; R365-W370 WeakPolarHBondContact O-CB 3.31Å; R365-W370 PolarHBondContact O-N 2.64Å; V366-W370 HydrophobicContact CG2-CE3 4.05Å; V366-W370 HydrophobicContact CG2-CZ3 3.95Å; W370-L372 VanDerWaalsContact C-N 3.28Å; W370-L372 PolarHBondContact O-N 3.03Å; W370-L373 PolarHBondContact O-N 3.36Å; W370-D383 PolarHBondContact NE1-OD1 3.48Å; W370-I552 HydrophobicContact CZ2-CG2 3.85Å; W370-F554 HydrophobicContact CB-CD1 3.91Å; W370-F554 HydrophobicContact CB-CE1 3.7Å; W370-F554 AromaticContact CD2-CD1 3.59Å; W370-F554 HydrophobicContact CD2-CD1 3.59Å; W370-F554 HydrophobicContact CD2-CE1 4.12Å; W370-F554 HydrophobicContact CE3-CB 4.26Å; W370-F554 AromaticContact CE3-CD1 3.63Å; W370-F554 HydrophobicContact CE3-CD1 3.63Å; W370-F554 HydrophobicContact CE3-CG 4.46Å; W370-F554 AromaticContact CG-CD1 3.75Å; W370-F554 HydrophobicContact CG-CD1 3.75Å; W370-F554 AromaticContact CG-CE1 3.77Å; W370-F554 HydrophobicContact CG-CE1 3.77Å; W370-F554 HydrophobicContact CZ3-CB 4.17Å; W370-F554 HydrophobicContact CZ3-CD1 4.28Å; W370-F554 WeakPolarHBondContact CZ3-O 3.33Å; W370-Y556 HydrophobicContact CH2-CD2 4.22Å
371	P	84.9	Confident	84.1	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.019	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-36.9	171.1	-27.9	34.6	0	0	0	114.7	I128 V129 L144 V366 H368 L373	I128-P371 HydrophobicContact CG2-CB 4.07Å; V129-P371 HydrophobicContact CB-CB 4.26Å; V129-P371 HydrophobicContact CG1-CB 4.35Å; V129-P371 HydrophobicContact CG2-CB 3.4Å; V129-P371 VanDerWaalsContact CG2-CB 3.4Å; V129-P371 HydrophobicContact CG2-CG 4.5Å; L144-P371 HydrophobicContact CD1-CB 3.99Å; L144-P371 HydrophobicContact CD1-CG 3.88Å; L144-P371 HydrophobicContact CD2-CG 4.43Å; V366-P371 WeakPolarHBondContact O-CD 3.47Å; H368-P371 WeakPolarHBondContact O-CD 3.2Å; P371-L373 VanDerWaalsContact C-N 3.35Å
372	L	88.2	Confident	84	Confident	4 Å²	4	34 Å²	34	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-76.7	-19.2	178.3	-66	168.4	0	0	0	113.4	V125 V129 H368 V369 W370 R465 I466 A469	V125-L372 HydrophobicContact CG2-CD2 4.19Å; V129-L372 HydrophobicContact CB-CD2 4.47Å; V129-L372 HydrophobicContact CG1-CG 4.35Å; V129-L372 HydrophobicContact CG2-CD2 3.66Å; V129-L372 HydrophobicContact CG2-CG 3.9Å; H368-L372 WeakPolarHBondContact O-CD1 3.41Å; H368-L372 WeakPolarHBondContact O-CG 3.01Å; H368-L372 PolarHBondContact O-N 3.06Å; V369-L372 CarbonylContact O-C 3.51Å; V369-L372 WeakPolarHBondContact O-CA 3.45Å; V369-L372 WeakPolarHBondContact O-CB 3.42Å; V369-L372 PolarHBondContact O-N 3.5Å; W370-L372 VanDerWaalsContact C-N 3.28Å; W370-L372 PolarHBondContact O-N 3.03Å; L372-R465 HydrophobicContact CD2-CB 4.47Å; L372-R465 PolarHBondContact O-NE 3.42Å; L372-I466 HydrophobicContact CB-CD1 3.58Å; L372-I466 HydrophobicContact CB-CG1 4.3Å; L372-I466 HydrophobicContact CD1-CD1 4.02Å; L372-I466 HydrophobicContact CG-CD1 4.45Å; L372-A469 HydrophobicContact CD1-CB 3.44Å; L372-A469 VanDerWaalsContact CD1-CB 3.44Å; L372-A469 HydrophobicContact CD2-CB 4.06Å; L372-A469 HydrophobicContact CG-CB 4.4Å
373	L	87.7	Confident	84.3	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-35.1	174.9	-68.2	-176.5	0	0	0	111.3	V369 W370 P371 D382 R462 R465	V369-L373 HydrophobicContact CG1-CD1 4.31Å; V369-L373 HydrophobicContact CG1-CD2 4.31Å; V369-L373 HydrophobicContact CG1-CG 4.11Å; V369-L373 WeakPolarHBondContact O-CG 3.28Å; V369-L373 PolarHBondContact O-N 3.37Å; W370-L373 PolarHBondContact O-N 3.36Å; P371-L373 VanDerWaalsContact C-N 3.35Å; L373-D382 HydrophobicContact CD1-CB 4.45Å; L373-D382 HydrophobicContact CD2-CB 4.41Å; L373-R462 HydrophobicContact CD2-CG 3.63Å; L373-R465 PolarHBondContact O-NH2 2.7Å
374	L	84.2	Confident	84.7	Confident	1 Å²	1	27 Å²	27	1%	0.005	14%	0.139	C	C	.	.			trans	-47.9	145.3	176.1	-65	-176.1	0	0	0	112.1	V125 I128 L144 A148 R465 F554	V125-L374 HydrophobicContact CG1-CB 4.17Å; I128-L374 HydrophobicContact CD1-CD1 3.73Å; L144-L374 HydrophobicContact CD1-CD1 4.09Å; L144-L374 HydrophobicContact CG-CD1 4.08Å; A148-L374 HydrophobicContact CB-CD2 3.4Å; L374-R465 PolarHBondContact O-NE 3.3Å; L374-R465 PolarHBondContact O-NH2 3.3Å; L374-F554 HydrophobicContact CD2-CZ 4.15Å
375	P	79.8	Confident	84.8	Confident	13 Å²	13	27.5 Å²	27.5	8%	0.084	14%	0.14	C	C	.	.	S	Bend	cis	-88.6	-28.1	12.1	26.5	-27.4	0	0	0	116.6	V108 W151 F152 E153	V108-P375 HydrophobicContact CG1-CG 4.29Å; W151-P375 HydrophobicContact CB-CB 3.63Å; W151-P375 VanDerWaalsContact O-CB 3.26Å; W151-P375 WeakPolarHBondContact O-CB 3.42Å; F152-P375 VanDerWaalsContact CA-CB 3.4Å; E153-P375 HydrophobicContact CB-CG 3.93Å
376	E	70.4	Confident	85.1	Confident	94 Å²	94	26.6 Å²	26.6	44%	0.439	14%	0.137	S	C	.	.	S	Bend	trans	-118.5	174.1	-178.1	-63.5	-167.5	171.1	0	0	109.9
377	H	63.9	Low	85.7	Confident	54 Å²	54	24.1 Å²	24.1	25%	0.25	12%	0.122	C	C	.	.			trans	74.9	64.4	174.7	-55.4	-55.2	0	0	0	115.2	D382 N457	H377-D382 VanDerWaalsContact C-OD2 3.3Å; H377-D382 WeakPolarHBondContact CA-OD2 3.5Å; H377-D382 HydrophobicContact CB-CB 3.98Å; H377-D382 WeakPolarHBondContact CB-OD2 3.37Å; H377-D382 WeakPolarHBondContact O-CB 3.2Å; H377-N457 PolarHBondContact CD2-O 3.35Å; H377-N457 PolarHBondContact CE1-O 3.22Å; H377-N457 PolarHBondContact NE2-O 2.94Å
378	T	70.2	Confident	86.4	Confident	29 Å²	29	19.7 Å²	19.7	18%	0.178	10%	0.103	C	C	.	.			trans	-105.1	39.8	171.2	56.9	0	0	0	0	110.8	I552 F554	T378-I552 WeakPolarHBondContact O-CB 3.41Å; T378-I552 PolarHBondContact O-N 3.15Å; T378-F554 HydrophobicContact CG2-CE1 4.18Å; T378-F554 HydrophobicContact CG2-CE2 3.6Å; T378-F554 HydrophobicContact CG2-CZ 3.26Å
379	T	86.7	Confident	86.9	Confident	29 Å²	29	17.6 Å²	17.6	18%	0.178	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-88.6	165.2	171.9	72.5	0	0	0	0	111.5	L381 D382 D383 S548 D550 I552	T379-L381 PolarHBondContact O-N 2.96Å; T379-L381 PolarHBondContact OG1-N 3.35Å; T379-D382 WeakPolarHBondContact CB-OD2 3.06Å; T379-D382 PolarHBondContact N-OD2 2.78Å; T379-D382 VanDerWaalsContact N-OD2 3.12Å; T379-D382 PolarHBondContact O-N 2.85Å; T379-D382 VanDerWaalsContact OG1-CG 3.26Å; T379-D382 PolarHBondContact OG1-N 2.86Å; T379-D382 PolarHBondContact OG1-OD2 3.1Å; T379-D383 PolarHBondContact O-N 2.65Å; T379-S548 PolarHBondContact OG1-O 2.94Å; T379-D550 CarbonylContact C-O 3.58Å; T379-D550 VanDerWaalsContact CA-O 3.24Å; T379-D550 WeakPolarHBondContact CA-O 3.21Å; T379-I552 VanDerWaalsContact O-CD1 3.31Å; T379-I552 WeakPolarHBondContact O-CD1 3.28Å
380	V	87.8	Confident	87.2	Confident	39 Å²	39	18.5 Å²	18.5	24%	0.236	10%	0.097	C	C	.	.	H	α-helix	trans	-55.7	-35	170.4	176.3	0	0	0	0	112.3	S384 I546 D550 I552	V380-S384 WeakPolarHBondContact O-CB 3.31Å; V380-S384 PolarHBondContact O-N 2.96Å; V380-S384 VanDerWaalsContact O-N 3.1Å; V380-S384 PolarHBondContact O-OG 3.47Å; V380-I546 HydrophobicContact CG2-CB 4.48Å; V380-I546 HydrophobicContact CG2-CG2 3.5Å; V380-I546 VanDerWaalsContact CG2-CG2 3.5Å; V380-D550 HydrophobicContact CG2-CB 4.48Å; V380-D550 PolarHBondContact N-O 3.48Å; V380-I552 HydrophobicContact CG2-CG1 4.12Å
381	L	89.4	Confident	87.7	Confident	48 Å²	48	18.2 Å²	18.2	25%	0.251	10%	0.095	S	C	.	.	H	α-helix	trans	-62.9	-44.9	174.9	-178.7	59.9	0	0	0	111.2	T379 S384 L385 Q531 S548	T379-L381 PolarHBondContact O-N 2.96Å; T379-L381 PolarHBondContact OG1-N 3.35Å; L381-S384 PolarHBondContact O-N 2.85Å; L381-L385 HydrophobicContact CD1-CD1 3.81Å; L381-L385 HydrophobicContact CD1-CD2 4.44Å; L381-L385 HydrophobicContact CD1-CG 3.95Å; L381-L385 HydrophobicContact CD2-CD1 4.41Å; L381-L385 HydrophobicContact CG-CD1 3.76Å; L381-L385 HydrophobicContact CG-CG 4.26Å; L381-L385 WeakPolarHBondContact O-CB 3.18Å; L381-L385 VanDerWaalsContact O-CG 3.25Å; L381-L385 WeakPolarHBondContact O-CG 3.39Å; L381-L385 PolarHBondContact O-N 3.26Å; L381-Q531 HydrophobicContact CD1-CG 4.25Å; L381-S548 VanDerWaalsContact CB-O 3.3Å; L381-S548 WeakPolarHBondContact CB-O 3.47Å; L381-S548 PolarHBondContact N-O 3.33Å
382	D	90.4	Very high	88.3	Confident	7 Å²	7	18.2 Å²	18.2	4%	0.037	10%	0.096	C	C	.	.	H	α-helix	trans	-69.2	-40.2	-176	-58.3	-53.9	0	0	0	112.6	L373 H377 T379 S384 L385 G386 R462	L373-D382 HydrophobicContact CD1-CB 4.45Å; L373-D382 HydrophobicContact CD2-CB 4.41Å; H377-D382 VanDerWaalsContact C-OD2 3.3Å; H377-D382 WeakPolarHBondContact CA-OD2 3.5Å; H377-D382 HydrophobicContact CB-CB 3.98Å; H377-D382 WeakPolarHBondContact CB-OD2 3.37Å; H377-D382 WeakPolarHBondContact O-CB 3.2Å; T379-D382 WeakPolarHBondContact CB-OD2 3.06Å; T379-D382 PolarHBondContact N-OD2 2.78Å; T379-D382 VanDerWaalsContact N-OD2 3.12Å; T379-D382 PolarHBondContact O-N 2.85Å; T379-D382 VanDerWaalsContact OG1-CG 3.26Å; T379-D382 PolarHBondContact OG1-N 2.86Å; T379-D382 PolarHBondContact OG1-OD2 3.1Å; D382-S384 VanDerWaalsContact C-N 3.33Å; D382-S384 PolarHBondContact O-N 3.16Å; D382-L385 PolarHBondContact O-N 3.49Å; D382-G386 WeakPolarHBondContact O-CA 3.43Å; D382-G386 PolarHBondContact O-N 3.38Å; D382-R462 IonicContact OD1-NH1 3.27Å; D382-R462 PolarHBondContact OD1-NH1 2.87Å
383	D	91.3	Very high	88.7	Confident	11 Å²	11	18 Å²	18	6%	0.059	10%	0.095	C	C	.	.	H	α-helix	trans	-58	-47.1	170.5	-178	82	0	0	0	111.3	R365 W370 T379 G386 L387 I552	R365-D383 WeakPolarHBondContact CD-OD1 3.14Å; R365-D383 WeakPolarHBondContact CG-OD1 3.28Å; R365-D383 IonicContact CZ-OD2 2.67Å; R365-D383 IonicContact NE-OD1 3Å; R365-D383 PolarHBondContact NE-OD1 3.17Å; R365-D383 VanDerWaalsContact NE-OD1 3.17Å; R365-D383 IonicContact NE-OD2 2.88Å; R365-D383 PolarHBondContact NE-OD2 2.79Å; R365-D383 VanDerWaalsContact NE-OD2 3.13Å; R365-D383 IonicContact NH2-OD2 3.01Å; R365-D383 PolarHBondContact NH2-OD2 2.81Å; W370-D383 PolarHBondContact NE1-OD1 3.48Å; T379-D383 PolarHBondContact O-N 2.65Å; D383-G386 PolarHBondContact O-N 3.29Å; D383-L387 VanDerWaalsContact O-CB 3.31Å; D383-L387 WeakPolarHBondContact O-CB 3.35Å; D383-L387 VanDerWaalsContact O-CG 3.31Å; D383-L387 WeakPolarHBondContact O-CG 3.09Å; D383-L387 PolarHBondContact O-N 3.45Å; D383-L387 WeakPolarHBondContact OD2-CD1 3.41Å; D383-I552 HydrophobicContact CB-CD1 3.29Å
384	S	93.8	Very high	89.1	Confident	7 Å²	7	19.8 Å²	19.8	5%	0.049	10%	0.102	C	C	.	.	H	α-helix	trans	-64.1	-44.4	-179.8	-63	0	0	0	0	112.4	V380 L381 D382 A388 V536	V380-S384 WeakPolarHBondContact O-CB 3.31Å; V380-S384 PolarHBondContact O-N 2.96Å; V380-S384 VanDerWaalsContact O-N 3.1Å; V380-S384 PolarHBondContact O-OG 3.47Å; L381-S384 PolarHBondContact O-N 2.85Å; D382-S384 VanDerWaalsContact C-N 3.33Å; D382-S384 PolarHBondContact O-N 3.16Å; S384-A388 WeakPolarHBondContact O-CB 3.34Å; S384-A388 PolarHBondContact O-N 2.82Å; S384-A388 VanDerWaalsContact O-N 3.09Å; S384-V536 WeakPolarHBondContact O-CG1 3.39Å
385	L	94.2	Very high	89.6	Confident	17 Å²	17	19.8 Å²	19.8	9%	0.089	10%	0.101	C	C	.	.	H	α-helix	trans	-69.7	-42.6	178.9	-66	176.1	0	0	0	111	L381 D382 A388 L389 M530 Q531	L381-L385 HydrophobicContact CD1-CD1 3.81Å; L381-L385 HydrophobicContact CD1-CD2 4.44Å; L381-L385 HydrophobicContact CD1-CG 3.95Å; L381-L385 HydrophobicContact CD2-CD1 4.41Å; L381-L385 HydrophobicContact CG-CD1 3.76Å; L381-L385 HydrophobicContact CG-CG 4.26Å; L381-L385 WeakPolarHBondContact O-CB 3.18Å; L381-L385 VanDerWaalsContact O-CG 3.25Å; L381-L385 WeakPolarHBondContact O-CG 3.39Å; L381-L385 PolarHBondContact O-N 3.26Å; D382-L385 PolarHBondContact O-N 3.49Å; L385-A388 PolarHBondContact O-N 3.08Å; L385-L389 WeakPolarHBondContact O-CB 3.22Å; L385-L389 WeakPolarHBondContact O-CG 3.08Å; L385-L389 PolarHBondContact O-N 3.47Å; L385-M530 HydrophobicContact CB-CE 4.38Å; L385-M530 HydrophobicContact CD2-CB 4.27Å; L385-M530 HydrophobicContact CD2-CE 3.5Å; L385-M530 VanDerWaalsContact CD2-CE 3.5Å; L385-Q531 HydrophobicContact CD2-CB 4.47Å
386	G	94.4	Very high	90.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.8	-46.7	175.9	0	0	0	0	0	112	D382 D383 L389 W390 I466	D382-G386 WeakPolarHBondContact O-CA 3.43Å; D382-G386 PolarHBondContact O-N 3.38Å; D383-G386 PolarHBondContact O-N 3.29Å; G386-L389 PolarHBondContact O-N 2.81Å; G386-W390 WeakPolarHBondContact O-CB 3.42Å; G386-W390 PolarHBondContact O-N 3.17Å; G386-I466 WeakPolarHBondContact O-CG2 3.12Å
387	L	95.8	Very high	91.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.5	-48.7	174.5	-79.2	164.5	0	0	0	112	F301 I361 R365 V369 D383 L389 W390 F391 V536	F301-L387 HydrophobicContact CZ-CB 4.46Å; I361-L387 HydrophobicContact CG2-CD1 3.88Å; I361-L387 HydrophobicContact CG2-CD2 4.17Å; R365-L387 HydrophobicContact CB-CD2 4.15Å; V369-L387 HydrophobicContact CG1-CG 4.41Å; V369-L387 HydrophobicContact CG2-CD2 3.86Å; V369-L387 HydrophobicContact CG2-CG 4.24Å; D383-L387 VanDerWaalsContact O-CB 3.31Å; D383-L387 WeakPolarHBondContact O-CB 3.35Å; D383-L387 VanDerWaalsContact O-CG 3.31Å; D383-L387 WeakPolarHBondContact O-CG 3.09Å; D383-L387 PolarHBondContact O-N 3.45Å; D383-L387 WeakPolarHBondContact OD2-CD1 3.41Å; L387-L389 VanDerWaalsContact C-N 3.34Å; L387-L389 PolarHBondContact O-N 3.15Å; L387-W390 PolarHBondContact O-N 3.18Å; L387-F391 HydrophobicContact CD2-CD2 4.36Å; L387-F391 HydrophobicContact CD2-CE2 3.88Å; L387-F391 VanDerWaalsContact O-CD2 3.29Å; L387-F391 WeakPolarHBondContact O-CD2 3.39Å; L387-F391 PolarHBondContact O-N 3.46Å; L387-V536 HydrophobicContact CB-CG2 3.76Å; L387-V536 HydrophobicContact CD1-CG2 4.06Å
388	A	97.3	Very high	93.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.9	-46.5	179.7	0	0	0	0	0	111.8	F301 S384 L385 A392 M530 V536	F301-A388 HydrophobicContact CE2-CB 4.36Å; S384-A388 WeakPolarHBondContact O-CB 3.34Å; S384-A388 PolarHBondContact O-N 2.82Å; S384-A388 VanDerWaalsContact O-N 3.09Å; L385-A388 PolarHBondContact O-N 3.08Å; A388-A392 VanDerWaalsContact O-CB 3.24Å; A388-A392 WeakPolarHBondContact O-CB 3.43Å; A388-A392 PolarHBondContact O-N 3.07Å; A388-M530 HydrophobicContact CB-CE 4.45Å; A388-M530 HydrophobicContact CB-CG 3.81Å; A388-M530 HydrophobicContact CB-SD 3.86Å; A388-V536 HydrophobicContact CB-CG1 4.3Å
389	L	97.3	Very high	94.3	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-69.3	-39.4	179.7	-72	171.3	0	0	0	112.5	L270 L385 G386 L387 A392 A393 L418 D463 I466 M530	L270-L389 HydrophobicContact CD1-CD2 3.64Å; L385-L389 WeakPolarHBondContact O-CB 3.22Å; L385-L389 WeakPolarHBondContact O-CG 3.08Å; L385-L389 PolarHBondContact O-N 3.47Å; G386-L389 PolarHBondContact O-N 2.81Å; L387-L389 VanDerWaalsContact C-N 3.34Å; L387-L389 PolarHBondContact O-N 3.15Å; L389-A392 PolarHBondContact O-N 3.12Å; L389-A393 VanDerWaalsContact O-CB 3.25Å; L389-A393 WeakPolarHBondContact O-CB 3.46Å; L389-A393 PolarHBondContact O-N 2.89Å; L389-L418 HydrophobicContact CD2-CD2 4.03Å; L389-D463 HydrophobicContact CD1-CB 3.84Å; L389-D463 WeakPolarHBondContact CD1-OD1 3.11Å; L389-I466 HydrophobicContact CB-CB 4.46Å; L389-I466 HydrophobicContact CB-CG2 3.53Å; L389-M530 HydrophobicContact CD1-CE 4.22Å; L389-M530 HydrophobicContact CD2-CE 4.02Å; L389-M530 HydrophobicContact CD2-SD 4.1Å; L389-M530 HydrophobicContact CG-CE 3.81Å; L389-M530 HydrophobicContact CG-SD 4.26Å
390	W	96.4	Very high	94.7	Very high	19 Å²	19	19 Å²	19	7%	0.072	10%	0.099	C	C	.	.	H	α-helix	trans	-62.8	-52.6	180	-171.1	88.2	0	0	0	110.5	A364 H368 V369 G386 L387 A392 A393 R394 I466 H470	A364-W390 HydrophobicContact CB-CE3 4.04Å; A364-W390 HydrophobicContact CB-CH2 4.23Å; A364-W390 HydrophobicContact CB-CZ3 3.76Å; H368-W390 HydrophobicContact CB-CD2 4.48Å; H368-W390 HydrophobicContact CB-CZ2 3.79Å; H368-W390 AromaticContact CD2-CH2 3.67Å; H368-W390 AromaticContact CD2-CZ2 3.25Å; H368-W390 WeakPolarHBondContact CD2-CZ2 3.33Å; H368-W390 AromaticContact CG-CE2 3.95Å; H368-W390 AromaticContact CG-CZ2 3.57Å; V369-W390 HydrophobicContact CG2-CB 3.8Å; V369-W390 HydrophobicContact CG2-CD2 4.4Å; V369-W390 HydrophobicContact CG2-CG 3.85Å; G386-W390 WeakPolarHBondContact O-CB 3.42Å; G386-W390 PolarHBondContact O-N 3.17Å; L387-W390 PolarHBondContact O-N 3.18Å; W390-A392 VanDerWaalsContact C-N 3.31Å; W390-A392 PolarHBondContact O-N 3.44Å; W390-A393 PolarHBondContact O-N 2.9Å; W390-R394 PolarHBondContact O-N 3.33Å; W390-I466 HydrophobicContact CB-CG2 3.73Å; W390-H470 AromaticContact CD1-NE2 3.56Å; W390-H470 AromaticContact CD2-NE2 3.49Å; W390-H470 AromaticContact CE2-CE1 3.58Å; W390-H470 AromaticContact CE2-NE2 3.21Å; W390-H470 AromaticContact CG-NE2 3.71Å; W390-H470 AromaticContact CZ2-CE1 3.55Å; W390-H470 AromaticContact CZ2-NE2 3.7Å; W390-H470 AromaticContact NE1-CE1 3.86Å; W390-H470 AromaticContact NE1-NE2 3.25Å; W390-H470 PolarHBondContact NE1-NE2 2.95Å; W390-H470 PolarHBondContact O-NE2 3.08Å
391	F	98	Very high	94.7	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-63.4	-36.5	177.6	-81.2	-72.5	0	0	0	112.4	V299 F301 V354 V356 E360 A364 L387 R394	V299-F391 HydrophobicContact CG2-CB 3.78Å; F301-F391 AromaticContact CE1-CD2 3.71Å; F301-F391 HydrophobicContact CE1-CD2 3.71Å; F301-F391 HydrophobicContact CE1-CE2 4.07Å; F301-F391 HydrophobicContact CE1-CG 4.46Å; F301-F391 HydrophobicContact CZ-CB 4.27Å; F301-F391 AromaticContact CZ-CD2 3.75Å; F301-F391 HydrophobicContact CZ-CD2 3.75Å; F301-F391 HydrophobicContact CZ-CG 4.31Å; V354-F391 HydrophobicContact CG1-CB 4.47Å; V354-F391 WeakPolarHBondContact CG1-O 3.49Å; V356-F391 HydrophobicContact CB-CD1 4.42Å; V356-F391 HydrophobicContact CB-CG 4.48Å; V356-F391 HydrophobicContact CG1-CD1 3.89Å; V356-F391 HydrophobicContact CG1-CD2 3.98Å; V356-F391 HydrophobicContact CG1-CE1 3.65Å; V356-F391 HydrophobicContact CG1-CE2 3.76Å; V356-F391 HydrophobicContact CG1-CG 4.05Å; V356-F391 HydrophobicContact CG1-CZ 3.58Å; V356-F391 HydrophobicContact CG2-CB 3.71Å; V356-F391 HydrophobicContact CG2-CD1 3.64Å; V356-F391 HydrophobicContact CG2-CD2 4.14Å; V356-F391 HydrophobicContact CG2-CE1 4.26Å; V356-F391 HydrophobicContact CG2-CG 3.57Å; E360-F391 HydrophobicContact CB-CE1 4.07Å; E360-F391 HydrophobicContact CB-CZ 3.92Å; A364-F391 HydrophobicContact CB-CE1 4.32Å; A364-F391 HydrophobicContact CB-CE2 3.78Å; A364-F391 HydrophobicContact CB-CZ 3.45Å; A364-F391 VanDerWaalsContact CB-CZ 3.45Å; L387-F391 HydrophobicContact CD2-CD2 4.36Å; L387-F391 HydrophobicContact CD2-CE2 3.88Å; L387-F391 VanDerWaalsContact O-CD2 3.29Å; L387-F391 WeakPolarHBondContact O-CD2 3.39Å; L387-F391 PolarHBondContact O-N 3.46Å; F391-R394 WeakPolarHBondContact O-CB 3.44Å
392	A	98.2	Very high	94	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.033	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-46.5	174.7	0	0	0	0	0	111.9	L270 I297 V299 A388 L389 W390 R394 G395	L270-A392 HydrophobicContact CD1-CB 4.15Å; L270-A392 HydrophobicContact CD2-CB 3.84Å; I297-A392 VanDerWaalsContact CG2-O 3.32Å; I297-A392 WeakPolarHBondContact CG2-O 3.49Å; V299-A392 HydrophobicContact CB-CB 3.96Å; V299-A392 HydrophobicContact CG1-CB 3.93Å; A388-A392 VanDerWaalsContact O-CB 3.24Å; A388-A392 WeakPolarHBondContact O-CB 3.43Å; A388-A392 PolarHBondContact O-N 3.07Å; L389-A392 PolarHBondContact O-N 3.12Å; W390-A392 VanDerWaalsContact C-N 3.31Å; W390-A392 PolarHBondContact O-N 3.44Å; A392-R394 VanDerWaalsContact C-N 3.31Å; A392-R394 PolarHBondContact O-N 3.35Å; A392-G395 PolarHBondContact O-N 3.37Å; A392-G395 VanDerWaalsContact O-N 3.08Å
393	A	96.5	Very high	93.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.1	-26.7	-178.7	0	0	0	0	0	113.5	L389 W390 G395 L416 I467 H470 R472	L389-A393 VanDerWaalsContact O-CB 3.25Å; L389-A393 WeakPolarHBondContact O-CB 3.46Å; L389-A393 PolarHBondContact O-N 2.89Å; W390-A393 PolarHBondContact O-N 2.9Å; A393-G395 PolarHBondContact O-N 2.96Å; A393-L416 HydrophobicContact CB-CD1 4.21Å; A393-I467 HydrophobicContact CB-CB 4.37Å; A393-I467 HydrophobicContact CB-CG1 4.3Å; A393-I467 HydrophobicContact CB-CG2 4.29Å; A393-H470 HydrophobicContact CB-CB 4.45Å; A393-R472 PolarHBondContact O-NE 3.35Å
394	R	95.1	Very high	92.5	Very high	38 Å²	38	35 Å²	35	14%	0.143	20%	0.196	C	C	.	.	H	α-helix	trans	-52.5	-41	167.8	-174.7	175.9	71.4	177.1	2.8	110.9	E360 W390 F391 A392 E396 H470	E360-R394 IonicContact OE1-CZ 3.59Å; E360-R394 IonicContact OE1-NH1 3.21Å; E360-R394 PolarHBondContact OE1-NH1 3.24Å; E360-R394 IonicContact OE1-NH2 3.03Å; E360-R394 PolarHBondContact OE1-NH2 2.88Å; W390-R394 PolarHBondContact O-N 3.33Å; F391-R394 WeakPolarHBondContact O-CB 3.44Å; A392-R394 VanDerWaalsContact C-N 3.31Å; A392-R394 PolarHBondContact O-N 3.35Å; R394-E396 HydrophobicContact CG-CB 4.08Å; R394-E396 HydrophobicContact CG-CG 3.78Å; R394-E396 IonicContact NE-OE2 3.23Å; R394-E396 PolarHBondContact O-N 3.42Å; R394-H470 PolarHBondContact N-CD2 3.02Å
395	G	95.4	Very high	91.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.			trans	68.6	16	173.8	0	0	0	0	0	114.5	A392 A393 I410 S411	A392-G395 PolarHBondContact O-N 3.37Å; A392-G395 VanDerWaalsContact O-N 3.08Å; A393-G395 PolarHBondContact O-N 2.96Å; G395-I410 WeakPolarHBondContact O-CA 3.15Å; G395-S411 PolarHBondContact O-N 3.13Å
396	E	96	Very high	91.3	Very high	88 Å²	88	48.6 Å²	48.6	41%	0.411	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118	177.6	-68.4	171.5	-157.4	0	0	110.1	R394 I410	R394-E396 HydrophobicContact CG-CB 4.08Å; R394-E396 HydrophobicContact CG-CG 3.78Å; R394-E396 IonicContact NE-OE2 3.23Å; R394-E396 PolarHBondContact O-N 3.42Å; E396-I410 HydrophobicContact CG-CD1 4.18Å; E396-I410 HydrophobicContact CG-CG1 4.02Å; E396-I410 HydrophobicContact CG-CG2 4Å
397	G	96.1	Very high	91.1	Very high	15 Å²	15	53.7 Å²	53.7	16%	0.155	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	-154.4	-177.4	0	0	0	0	0	113.7	K353 K408 C409	K353-G397 CarbonylContact O-C 3.53Å; K353-G397 WeakPolarHBondContact O-CA 3.28Å; G397-K408 WeakPolarHBondContact O-CA 3.48Å; G397-C409 PolarHBondContact N-O 3.12Å; G397-C409 PolarHBondContact O-N 3.39Å; G397-C409 VanDerWaalsContact O-O 3.13Å
398	V	95.6	Very high	91	Very high	16 Å²	16	61 Å²	61	10%	0.097	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.4	177.1	179	0	0	0	0	109	K353 H400 E406 E407	K353-V398 WeakPolarHBondContact CB-O 3.31Å; K353-V398 PolarHBondContact N-O 3.16Å; K353-V398 PolarHBondContact O-N 3Å; V398-H400 PolarHBondContact O-N 3.18Å; V398-E406 HydrophobicContact CG1-CB 3.66Å; V398-E406 HydrophobicContact CG1-CG 3.96Å; V398-E406 HydrophobicContact CG2-CB 4.37Å; V398-E407 CarbonylContact C-O 3.55Å; V398-E407 WeakPolarHBondContact CA-O 3.28Å
399	L	95.4	Very high	90.9	Very high	31 Å²	31	61.2 Å²	61.2	16%	0.162	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	127.7	174.2	-171.4	64.9	0	0	0	109.3	N350 S401 E407 C409	N350-L399 HydrophobicContact CB-CD1 3.81Å; L399-S401 PolarHBondContact O-N 2.81Å; L399-E407 HydrophobicContact CB-CB 4.37Å; L399-E407 PolarHBondContact N-O 3.04Å; L399-C409 HydrophobicContact CB-CB 4.07Å
400	H	95.1	Very high	90.8	Very high	54 Å²	54	64.2 Å²	64.2	25%	0.25	33%	0.328	C	S	.	.			trans	-68.9	116.1	172.7	179.2	54.6	0	0	0	109.5	Y337 L351 K353 V398	Y337-H400 AromaticContact CD1-CD2 3.75Å; Y337-H400 AromaticContact CE1-CD2 3.48Å; Y337-H400 VanDerWaalsContact CE1-CD2 3.48Å; Y337-H400 WeakPolarHBondContact CE1-CD2 3.2Å; Y337-H400 AromaticContact CE1-NE2 3.96Å; L351-H400 HydrophobicContact CB-CB 3.92Å; L351-H400 HydrophobicContact CD2-CB 3.84Å; L351-H400 HydrophobicContact CG-CB 3.98Å; L351-H400 WeakPolarHBondContact O-CB 3.24Å; L351-H400 PolarHBondContact O-N 2.89Å; K353-H400 HydrophobicContact CD-CB 4.26Å; K353-H400 HydrophobicContact CG-CB 4.27Å; V398-H400 PolarHBondContact O-N 3.18Å
401	S	87	Confident	90.7	Very high	46 Å²	46	63.4 Å²	63.4	32%	0.322	33%	0.326	S	S	.	.			trans	-133.7	165.3	173.5	82.1	0	0	0	0	110.1	L399 S403	L399-S401 PolarHBondContact O-N 2.81Å; S401-S403 PolarHBondContact O-N 3.12Å; S401-S403 WeakPolarHBondContact OG-CB 3.48Å; S401-S403 PolarHBondContact OG-N 3.02Å; S401-S403 VanDerWaalsContact OG-N 3.13Å
402	S	74.1	Confident	90.4	Very high	137 Å²	137	64.8 Å²	64.8	96%	0.958	34%	0.336	S	S	*	.	S	Bend	trans	-77.6	-3.9	170.4	55.3	0	0	0	0	113.1
403	S	76.8	Confident	90.2	Very high	63 Å²	63	64.6 Å²	64.6	44%	0.441	33%	0.334	S	S	.	.	S	Bend	trans	-79.2	147	177.5	-175	0	0	0	0	110.3	S401 F405	S401-S403 PolarHBondContact O-N 3.12Å; S401-S403 WeakPolarHBondContact OG-CB 3.48Å; S401-S403 PolarHBondContact OG-N 3.02Å; S401-S403 VanDerWaalsContact OG-N 3.13Å; S403-F405 PolarHBondContact O-N 3.27Å; S403-F405 WeakPolarHBondContact OG-CD2 3.04Å; S403-F405 PolarHBondContact OG-N 3.48Å
404	E	73.4	Confident	89.9	Confident	193 Å²	193	67.2 Å²	67.2	90%	0.902	35%	0.345	S	S	*	.	S	Bend	trans	-68.6	-16.8	170.8	-65.4	-172.7	167.4	0	0	112.3	E406	E404-E406 PolarHBondContact O-N 3.23Å
405	F	79.7	Confident	89.9	Confident	174 Å²	174	65.5 Å²	65.5	76%	0.763	34%	0.339	S	S	*	.	S	Bend	trans	-81.4	119.2	178	-63.8	-77.2	0	0	0	111.1	S403 E407	S403-F405 PolarHBondContact O-N 3.27Å; S403-F405 WeakPolarHBondContact OG-CD2 3.04Å; S403-F405 PolarHBondContact OG-N 3.48Å; F405-E407 PolarHBondContact O-N 3.27Å; F405-E407 VanDerWaalsContact O-N 3.15Å
406	E	84.5	Confident	89.9	Confident	137 Å²	137	65.5 Å²	65.5	64%	0.64	34%	0.339	S	S	*	.			trans	-70.7	104.3	171.4	-69.2	-164.2	152.2	0	0	110.5	V398 E404 K408	V398-E406 HydrophobicContact CG1-CB 3.66Å; V398-E406 HydrophobicContact CG1-CG 3.96Å; V398-E406 HydrophobicContact CG2-CB 4.37Å; E404-E406 PolarHBondContact O-N 3.23Å; E406-K408 PolarHBondContact O-N 3.21Å
407	E	89.9	Confident	90	Very high	106 Å²	106	61.3 Å²	61.3	50%	0.495	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109.6	171.5	-174.6	179.8	173.6	0	0	109.2	V398 L399 F405 C409	V398-E407 CarbonylContact C-O 3.55Å; V398-E407 WeakPolarHBondContact CA-O 3.28Å; L399-E407 HydrophobicContact CB-CB 4.37Å; L399-E407 PolarHBondContact N-O 3.04Å; F405-E407 PolarHBondContact O-N 3.27Å; F405-E407 VanDerWaalsContact O-N 3.15Å; E407-C409 PolarHBondContact O-N 2.94Å
408	K	93.5	Very high	90.1	Very high	153 Å²	153	60.9 Å²	60.9	67%	0.665	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	137.7	171.7	-70.9	-175	179.1	-179.5	0	109.1	N261 G397 E406	N261-K408 WeakPolarHBondContact CB-O 3.42Å; G397-K408 WeakPolarHBondContact O-CA 3.48Å; E406-K408 PolarHBondContact O-N 3.21Å
409	C	94	Very high	90.2	Very high	6 Å²	6	60.9 Å²	60.9	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	135.1	179.8	-175.9	0	0	0	0	110.2	N261 G397 L399 E407	N261-C409 CarbonylContact O-C 3.58Å; N261-C409 WeakPolarHBondContact O-CA 3.41Å; G397-C409 PolarHBondContact N-O 3.12Å; G397-C409 PolarHBondContact O-N 3.39Å; G397-C409 VanDerWaalsContact O-O 3.13Å; L399-C409 HydrophobicContact CB-CB 4.07Å; E407-C409 PolarHBondContact O-N 2.94Å
410	I	95.1	Very high	90.2	Very high	67 Å²	67	61 Å²	61	34%	0.344	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.2	170.7	-52.4	-175.4	0	0	0	107.4	N261 Q262 S263 G395 E396 S412	N261-I410 PolarHBondContact O-N 2.84Å; Q262-I410 WeakPolarHBondContact CA-O 3.21Å; S263-I410 PolarHBondContact N-O 3.1Å; G395-I410 WeakPolarHBondContact O-CA 3.15Å; E396-I410 HydrophobicContact CG-CD1 4.18Å; E396-I410 HydrophobicContact CG-CG1 4.02Å; E396-I410 HydrophobicContact CG-CG2 4Å; I410-S412 PolarHBondContact O-N 3.3Å
411	S	95.2	Very high	90.2	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.014	31%	0.309	C	S	.	.			trans	-59.6	130.3	176.5	-179.7	0	0	0	0	110.7	D295 G395 A413 R472	D295-S411 WeakPolarHBondContact OD2-CA 3.15Å; D295-S411 VanDerWaalsContact OD2-CB 3.26Å; D295-S411 WeakPolarHBondContact OD2-CB 3.4Å; D295-S411 PolarHBondContact OD2-OG 2.85Å; G395-S411 PolarHBondContact O-N 3.13Å; S411-A413 VanDerWaalsContact C-N 3.35Å; S411-A413 VanDerWaalsContact OG-CB 3.27Å; S411-A413 WeakPolarHBondContact OG-CB 3.4Å; S411-A413 PolarHBondContact OG-N 3.45Å; S411-A413 VanDerWaalsContact OG-N 3.15Å; S411-R472 PolarHBondContact O-NH1 3.18Å; S411-R472 VanDerWaalsContact O-NH1 3.08Å; S411-R472 PolarHBondContact O-NH2 3.04Å
412	S	92.6	Very high	90.7	Very high	31 Å²	31	56.3 Å²	56.3	22%	0.217	29%	0.294	C	S	.	.			trans	-89.9	-1.9	168	56.3	0	0	0	0	112.8	S263 G264 S265 I410 K414 R472	S263-S412 PolarHBondContact OG-N 2.78Å; S263-S412 PolarHBondContact OG-OG 3.17Å; G264-S412 VanDerWaalsContact CA-OG 3.24Å; G264-S412 WeakPolarHBondContact CA-OG 3.46Å; G264-S412 PolarHBondContact N-OG 2.97Å; S265-S412 PolarHBondContact N-OG 3.26Å; S265-S412 CarbonylContact O-C 3.58Å; S265-S412 PolarHBondContact O-OG 2.94Å; I410-S412 PolarHBondContact O-N 3.3Å; S412-K414 PolarHBondContact O-N 3.33Å; S412-K414 VanDerWaalsContact O-N 3.1Å; S412-R472 VanDerWaalsContact C-NH1 3.25Å; S412-R472 PolarHBondContact O-NH1 3.25Å
413	A	93.4	Very high	91.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.			trans	-57.6	114.4	-172.2	0	0	0	0	0	112.5	S265 L266 D295 S411 L416 R472	S265-A413 VanDerWaalsContact O-CA 3.24Å; S265-A413 WeakPolarHBondContact O-CA 3.47Å; S265-A413 PolarHBondContact O-N 3.14Å; S265-A413 VanDerWaalsContact O-N 3.11Å; L266-A413 CarbonylContact O-C 3.16Å; L266-A413 WeakPolarHBondContact O-CA 3.05Å; D295-A413 HydrophobicContact CB-CB 4.39Å; S411-A413 VanDerWaalsContact C-N 3.35Å; S411-A413 VanDerWaalsContact OG-CB 3.27Å; S411-A413 WeakPolarHBondContact OG-CB 3.4Å; S411-A413 PolarHBondContact OG-N 3.45Å; S411-A413 VanDerWaalsContact OG-N 3.15Å; A413-L416 HydrophobicContact CB-CD2 3.93Å; A413-R472 WeakPolarHBondContact O-CD 3.3Å; A413-R472 PolarHBondContact O-NE 2.98Å; A413-R472 PolarHBondContact O-NH1 2.9Å
414	K	90.5	Very high	92.7	Very high	54 Å²	54	47.4 Å²	47.4	24%	0.235	23%	0.231	C	C	.	.	S	Bend	trans	-76.7	-39.6	177.4	-176.2	176.7	175.1	-175	0	111	D247 L266 S412 R472 M473	D247-K414 IonicContact OD1-NZ 3.83Å; D247-K414 PolarHBondContact OD1-NZ 2.83Å; L266-K414 HydrophobicContact CD1-CB 3.98Å; L266-K414 HydrophobicContact CD1-CD 4.41Å; L266-K414 PolarHBondContact O-N 3.09Å; S412-K414 PolarHBondContact O-N 3.33Å; S412-K414 VanDerWaalsContact O-N 3.1Å; K414-R472 CarbonylContact O-C 3.57Å; K414-R472 WeakPolarHBondContact O-CA 3.29Å; K414-M473 PolarHBondContact O-N 3.07Å
415	F	93.6	Very high	93.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.8	-177.7	-52.8	-69.6	0	0	0	109.7	D243 L266 F267 G268 M473	D243-F415 HydrophobicContact CB-CD1 4.11Å; D243-F415 HydrophobicContact CB-CD2 3.65Å; D243-F415 HydrophobicContact CB-CE1 4.02Å; D243-F415 HydrophobicContact CB-CE2 3.54Å; D243-F415 HydrophobicContact CB-CG 3.92Å; D243-F415 HydrophobicContact CB-CZ 3.73Å; D243-F415 WeakPolarHBondContact O-CE2 3.47Å; L266-F415 HydrophobicContact CD1-CD2 4.02Å; L266-F415 HydrophobicContact CD1-CE2 3.82Å; L266-F415 HydrophobicContact CD2-CE2 4.26Å; L266-F415 HydrophobicContact CG-CD2 3.95Å; L266-F415 HydrophobicContact CG-CE2 4.02Å; L266-F415 PolarHBondContact O-N 3.44Å; F267-F415 HydrophobicContact CD1-CB 3.97Å; F267-F415 HydrophobicContact CD1-CD2 4.19Å; F267-F415 HydrophobicContact CE1-CB 4.22Å; F267-F415 AromaticContact CE1-CD2 3.85Å; F267-F415 HydrophobicContact CE1-CD2 3.85Å; F267-F415 HydrophobicContact CE1-CG 4.33Å; F267-F415 HydrophobicContact CZ-CD2 4.44Å; G268-F415 PolarHBondContact N-O 2.94Å; F415-M473 WeakPolarHBondContact CA-O 3.2Å; F415-M473 HydrophobicContact CD1-CB 3.98Å; F415-M473 HydrophobicContact CD1-SD 4.29Å; F415-M473 HydrophobicContact CE1-CB 4.4Å; F415-M473 HydrophobicContact CE1-SD 3.75Å
416	L	96.6	Very high	94.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.4	-179.7	-69	-175	0	0	0	110.3	G268 L270 I297 A393 A413 L418 I467 R472 M473 P474 R475	G268-L416 CarbonylContact O-C 3.16Å; G268-L416 WeakPolarHBondContact O-CA 3.48Å; L270-L416 HydrophobicContact CD2-CD1 4.07Å; I297-L416 HydrophobicContact CD1-CD2 3.79Å; A393-L416 HydrophobicContact CB-CD1 4.21Å; A413-L416 HydrophobicContact CB-CD2 3.93Å; L416-L418 VanDerWaalsContact O-CD1 3.22Å; L416-L418 WeakPolarHBondContact O-CD1 3.35Å; L416-I467 HydrophobicContact CD1-CG2 4.22Å; L416-R472 HydrophobicContact CD1-CB 3.7Å; L416-R472 HydrophobicContact CD1-CG 3.68Å; L416-R472 HydrophobicContact CG-CB 4.04Å; L416-R472 HydrophobicContact CG-CG 4.29Å; L416-M473 PolarHBondContact N-O 2.96Å; L416-P474 CarbonylContact O-C 3.56Å; L416-P474 VanDerWaalsContact O-CA 3.28Å; L416-P474 WeakPolarHBondContact O-CA 2.91Å; L416-R475 PolarHBondContact O-N 3.28Å
417	F	98.5	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	146.5	171.9	-74.4	-102.2	0	0	0	111	S239 V240 F267 G268 L269 L270 I280 L284 R475 P477	S239-F417 WeakPolarHBondContact OG-CZ 3.26Å; V240-F417 HydrophobicContact CG2-CZ 4.11Å; F267-F417 AromaticContact CD1-CE2 3.94Å; F267-F417 HydrophobicContact CD1-CE2 3.94Å; F267-F417 HydrophobicContact CE1-CE2 4.49Å; G268-F417 PolarHBondContact O-N 2.95Å; L269-F417 WeakPolarHBondContact CA-O 3.44Å; L269-F417 HydrophobicContact CB-CB 4.49Å; L269-F417 HydrophobicContact CD1-CB 3.79Å; L269-F417 VanDerWaalsContact CD1-O 3.28Å; L269-F417 WeakPolarHBondContact CD1-O 3.48Å; L270-F417 PolarHBondContact N-O 2.65Å; I280-F417 HydrophobicContact CG2-CB 3.98Å; I280-F417 HydrophobicContact CG2-CD1 4.16Å; I280-F417 HydrophobicContact CG2-CG 4.33Å; L284-F417 HydrophobicContact CD1-CB 4.26Å; L284-F417 HydrophobicContact CD1-CD2 4.09Å; L284-F417 HydrophobicContact CD1-CG 4.08Å; L284-F417 HydrophobicContact CD2-CD1 4.22Å; L284-F417 HydrophobicContact CD2-CD2 3.85Å; L284-F417 HydrophobicContact CD2-CE1 4.01Å; L284-F417 HydrophobicContact CD2-CE2 3.62Å; L284-F417 HydrophobicContact CD2-CG 4.15Å; L284-F417 HydrophobicContact CD2-CZ 3.7Å; F417-R475 WeakPolarHBondContact CA-O 3.25Å; F417-R475 HydrophobicContact CD1-CB 3.65Å; F417-R475 HydrophobicContact CD1-CG 4.49Å; F417-R475 HydrophobicContact CD2-CB 4.15Å; F417-R475 HydrophobicContact CD2-CG 4.28Å; F417-R475 HydrophobicContact CE1-CB 3.74Å; F417-R475 HydrophobicContact CE1-CG 4.25Å; F417-R475 HydrophobicContact CE2-CB 4.21Å; F417-R475 HydrophobicContact CE2-CG 4.02Å; F417-R475 HydrophobicContact CG-CB 3.87Å; F417-R475 HydrophobicContact CZ-CB 4.02Å; F417-R475 HydrophobicContact CZ-CG 4.02Å; F417-P477 HydrophobicContact CD1-CG 4.13Å
418	L	98	Very high	95.6	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.031	10%	0.099	C	C	.	.			trans	-135.1	147.8	175.6	-55.5	90	0	0	0	111.3	L270 I280 L389 L416 S420 I467 P474 R475 L476	L270-L418 HydrophobicContact CB-CG 4.46Å; L270-L418 HydrophobicContact CD1-CD2 3.68Å; L270-L418 HydrophobicContact CD1-CG 4.11Å; L270-L418 HydrophobicContact CG-CD2 4.35Å; L270-L418 HydrophobicContact CG-CG 4.23Å; I280-L418 VanDerWaalsContact CD1-O 3.31Å; I280-L418 WeakPolarHBondContact CD1-O 3.4Å; L389-L418 HydrophobicContact CD2-CD2 4.03Å; L416-L418 VanDerWaalsContact O-CD1 3.22Å; L416-L418 WeakPolarHBondContact O-CD1 3.35Å; L418-S420 PolarHBondContact O-N 3.07Å; L418-I467 HydrophobicContact CD1-CD1 3.99Å; L418-I467 HydrophobicContact CD2-CD1 3.51Å; L418-I467 HydrophobicContact CG-CD1 4.38Å; L418-P474 HydrophobicContact CD1-CB 3.68Å; L418-R475 PolarHBondContact N-O 3.06Å; L418-L476 HydrophobicContact CB-CD2 3.67Å; L418-L476 HydrophobicContact CD1-CD2 3.8Å; L418-L476 HydrophobicContact CG-CD2 4.22Å
419	G	96.9	Very high	95.6	Very high	16 Å²	16	13.9 Å²	13.9	17%	0.165	8%	0.077	C	C	.	.			trans	-81.9	16.5	175	0	0	0	0	0	115.2
420	S	95.3	Very high	95.5	Very high	34 Å²	34	15.5 Å²	15.5	24%	0.238	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	150.1	-175.8	-58	0	0	0	0	112.4	L418 I422	L418-S420 PolarHBondContact O-N 3.07Å; S420-I422 PolarHBondContact O-N 3.13Å
421	G	95.3	Very high	95.4	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.021	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-15.5	173.5	0	0	0	0	0	115.8	E424 Q425	G421-E424 WeakPolarHBondContact CA-OE2 3.32Å; G421-Q425 WeakPolarHBondContact O-CG 3.37Å; G421-Q425 PolarHBondContact O-NE2 3.5Å
422	I	97.3	Very high	95.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-79.5	-26.7	-180	-158.8	54.6	0	0	0	113	F228 D276 S420 Q425 L426 Y478 L487 L510	F228-I422 HydrophobicContact CZ-CD1 4.05Å; D276-I422 HydrophobicContact CB-CG2 3.94Å; D276-I422 VanDerWaalsContact CG-CG2 3.49Å; S420-I422 PolarHBondContact O-N 3.13Å; I422-Q425 PolarHBondContact O-N 2.91Å; I422-L426 HydrophobicContact CD1-CD1 3.54Å; I422-L426 HydrophobicContact CD1-CG 3.77Å; I422-L426 HydrophobicContact CG1-CD1 3.81Å; I422-L426 HydrophobicContact CG1-CG 4.21Å; I422-L426 WeakPolarHBondContact O-CB 3.33Å; I422-L426 PolarHBondContact O-N 3.03Å; I422-Y478 HydrophobicContact CB-CD1 3.98Å; I422-Y478 HydrophobicContact CB-CD2 3.67Å; I422-Y478 HydrophobicContact CB-CE1 4.38Å; I422-Y478 HydrophobicContact CB-CE2 4.1Å; I422-Y478 HydrophobicContact CB-CG 3.6Å; I422-Y478 HydrophobicContact CD1-CD1 3.6Å; I422-Y478 HydrophobicContact CD1-CE1 4.14Å; I422-Y478 HydrophobicContact CD1-CG 4Å; I422-Y478 HydrophobicContact CG1-CD1 3.78Å; I422-Y478 HydrophobicContact CG1-CD2 4.33Å; I422-Y478 HydrophobicContact CG1-CE1 3.99Å; I422-Y478 HydrophobicContact CG1-CG 3.97Å; I422-Y478 HydrophobicContact CG2-CD2 3.97Å; I422-Y478 HydrophobicContact CG2-CE2 4.02Å; I422-Y478 HydrophobicContact CG2-CG 4.4Å; I422-L487 HydrophobicContact CD1-CD1 3.82Å; I422-L510 HydrophobicContact CG1-CD2 3.94Å; I422-L510 HydrophobicContact CG2-CD2 4.19Å
423	D	97.1	Very high	95.4	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-64.6	-42.8	176.6	-78.7	-76.8	0	0	0	111.5	Q425 A427 G428 Y429 H432 K507 K527	D423-Q425 VanDerWaalsContact C-N 3.26Å; D423-Q425 PolarHBondContact O-N 3.06Å; D423-A427 PolarHBondContact O-N 3.36Å; D423-G428 PolarHBondContact O-N 2.82Å; D423-G428 WeakPolarHBondContact OD1-CA 3.36Å; D423-Y429 HydrophobicContact CB-CD1 4.43Å; D423-Y429 HydrophobicContact CB-CD2 4.09Å; D423-Y429 HydrophobicContact CB-CE1 3.96Å; D423-Y429 HydrophobicContact CB-CE2 3.58Å; D423-Y429 HydrophobicContact CB-CG 4.49Å; D423-Y429 VanDerWaalsContact CB-CZ 3.49Å; D423-H432 PolarHBondContact O-CE1 3.5Å; D423-K507 WeakPolarHBondContact OD1-CE 3.38Å; D423-K507 IonicContact OD1-NZ 3.66Å; D423-K507 PolarHBondContact OD1-NZ 2.9Å; D423-K507 IonicContact OD2-NZ 3.51Å; D423-K507 PolarHBondContact OD2-NZ 3.46Å; D423-K527 WeakPolarHBondContact OD1-CD 3.4Å; D423-K527 WeakPolarHBondContact OD1-CE 3.33Å; D423-K527 IonicContact OD1-NZ 3.35Å; D423-K527 WeakPolarHBondContact OD2-CE 3.35Å; D423-K527 IonicContact OD2-NZ 3.13Å; D423-K527 PolarHBondContact OD2-NZ 3.25Å
424	E	96.2	Very high	95.4	Very high	9 Å²	9	19 Å²	19	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-68.8	-24.4	179.1	-65.4	74.6	-164.7	0	0	112.2	G421 Y429 L448 E451 I455	G421-E424 WeakPolarHBondContact CA-OE2 3.32Å; E424-Y429 HydrophobicContact CG-CE2 4.25Å; E424-Y429 WeakPolarHBondContact OE1-CE2 3.35Å; E424-Y429 PolarHBondContact OE1-OH 3.19Å; E424-L448 VanDerWaalsContact O-CD2 3.28Å; E424-L448 WeakPolarHBondContact O-CD2 3.29Å; E424-E451 HydrophobicContact CB-CB 4.14Å; E424-E451 HydrophobicContact CG-CB 4.01Å; E424-I455 HydrophobicContact CG-CD1 4.17Å
425	Q	97.3	Very high	95.7	Very high	7 Å²	7	17.4 Å²	17.4	3%	0.033	10%	0.098	C	C	.	.	H	α-helix	trans	-96.9	-37.2	-178.1	-67.5	179.7	81.4	0	0	113.5	G421 I422 D423 L452 Y478 L487 K495	G421-Q425 WeakPolarHBondContact O-CG 3.37Å; G421-Q425 PolarHBondContact O-NE2 3.5Å; I422-Q425 PolarHBondContact O-N 2.91Å; D423-Q425 VanDerWaalsContact C-N 3.26Å; D423-Q425 PolarHBondContact O-N 3.06Å; Q425-L452 HydrophobicContact CG-CD1 4.04Å; Q425-L452 HydrophobicContact CG-CD2 4.49Å; Q425-Y478 PolarHBondContact NE2-O 3.47Å; Q425-L487 HydrophobicContact CB-CD1 3.9Å; Q425-K495 WeakPolarHBondContact O-CD 3.26Å
426	L	97.8	Very high	95.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	28	-176.2	-65.3	-175.1	0	0	0	113.3	F228 I422 G428 L487 K495 K507 L509 L510	F228-L426 HydrophobicContact CE1-CD1 4.29Å; F228-L426 HydrophobicContact CZ-CD1 4.37Å; I422-L426 HydrophobicContact CD1-CD1 3.54Å; I422-L426 HydrophobicContact CD1-CG 3.77Å; I422-L426 HydrophobicContact CG1-CD1 3.81Å; I422-L426 HydrophobicContact CG1-CG 4.21Å; I422-L426 WeakPolarHBondContact O-CB 3.33Å; I422-L426 PolarHBondContact O-N 3.03Å; L426-G428 VanDerWaalsContact C-N 3.34Å; L426-G428 PolarHBondContact O-N 2.74Å; L426-L487 HydrophobicContact CD2-CD1 4.12Å; L426-L487 HydrophobicContact CD2-CD2 3.77Å; L426-L487 HydrophobicContact CG-CD1 4.14Å; L426-K495 HydrophobicContact CD2-CB 4.12Å; L426-K495 HydrophobicContact CD2-CG 3.87Å; L426-K507 HydrophobicContact CB-CB 4.3Å; L426-K507 HydrophobicContact CB-CG 4.39Å; L426-K507 VanDerWaalsContact O-CA 3.23Å; L426-K507 WeakPolarHBondContact O-CA 3.31Å; L426-K507 PolarHBondContact O-N 3.45Å; L426-L509 HydrophobicContact CD1-CB 4.36Å; L426-L509 HydrophobicContact CD2-CB 4.35Å; L426-L509 HydrophobicContact CD2-CD2 4.31Å; L426-L510 HydrophobicContact CD1-CB 3.78Å
427	A	97.3	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	46.8	174.9	0	0	0	0	0	113.8	D423 H432 L444 L448 I496 E506	D423-A427 PolarHBondContact O-N 3.36Å; A427-H432 WeakPolarHBondContact CA-ND1 3.31Å; A427-H432 HydrophobicContact CB-CB 4Å; A427-L444 HydrophobicContact CB-CD2 4.1Å; A427-L448 HydrophobicContact CB-CD1 4.16Å; A427-L448 HydrophobicContact CB-CD2 4.13Å; A427-I496 HydrophobicContact CB-CB 3.99Å; A427-I496 HydrophobicContact CB-CD1 3.98Å; A427-I496 HydrophobicContact CB-CG1 4.45Å; A427-I496 HydrophobicContact CB-CG2 4.47Å; A427-E506 WeakPolarHBondContact O-CB 3.39Å
428	G	96.2	Very high	95.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	17%	0.168	C	C	.	.			trans	-77.8	-24.4	-169.8	0	0	0	0	0	117.1	D423 L426 H432	D423-G428 PolarHBondContact O-N 2.82Å; D423-G428 WeakPolarHBondContact OD1-CA 3.36Å; L426-G428 VanDerWaalsContact C-N 3.34Å; L426-G428 PolarHBondContact O-N 2.74Å; G428-H432 PolarHBondContact N-ND1 3.46Å
429	Y	93.9	Very high	95.6	Very high	51 Å²	51	40.4 Å²	40.4	20%	0.2	20%	0.197	C	C	.	.	S	Bend	trans	-82	143	-179.8	-58.8	-63.6	0	0	0	112.1	D423 E424 R431 H432	D423-Y429 HydrophobicContact CB-CD1 4.43Å; D423-Y429 HydrophobicContact CB-CD2 4.09Å; D423-Y429 HydrophobicContact CB-CE1 3.96Å; D423-Y429 HydrophobicContact CB-CE2 3.58Å; D423-Y429 HydrophobicContact CB-CG 4.49Å; D423-Y429 VanDerWaalsContact CB-CZ 3.49Å; E424-Y429 HydrophobicContact CG-CE2 4.25Å; E424-Y429 WeakPolarHBondContact OE1-CE2 3.35Å; E424-Y429 PolarHBondContact OE1-OH 3.19Å; Y429-R431 VanDerWaalsContact CD2-NH1 3.25Å; Y429-R431 PolarHBondContact O-N 3.49Å; Y429-H432 AromaticContact CD2-CE1 3.33Å; Y429-H432 WeakPolarHBondContact CD2-CE1 3.39Å; Y429-H432 AromaticContact CD2-ND1 4Å; Y429-H432 AromaticContact CD2-NE2 3.74Å; Y429-H432 PolarHBondContact N-ND1 3.32Å; Y429-H432 WeakPolarHBondContact O-CB 3.39Å; Y429-H432 PolarHBondContact O-N 2.98Å
430	A	90.7	Very high	95.6	Very high	40 Å²	40	40.8 Å²	40.8	33%	0.331	20%	0.2	S	C	.	.	H	α-helix	trans	-57	-26.4	176.9	0	0	0	0	0	113.8	H432 L433 T434	A430-H432 VanDerWaalsContact C-N 3.26Å; A430-H432 PolarHBondContact O-N 3.19Å; A430-L433 PolarHBondContact O-N 3.01Å; A430-T434 PolarHBondContact O-N 3.12Å; A430-T434 PolarHBondContact O-OG1 3.06Å; A430-T434 VanDerWaalsContact O-OG1 3.05Å
431	R	92.9	Very high	95.6	Very high	94 Å²	94	42.1 Å²	42.1	36%	0.355	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-33	173.7	71.4	174.7	175.4	-79.2	-2.4	112	Y429 L433 T434 T435 E447 E451	Y429-R431 VanDerWaalsContact CD2-NH1 3.25Å; Y429-R431 PolarHBondContact O-N 3.49Å; R431-L433 PolarHBondContact O-N 2.99Å; R431-T434 CarbonylContact O-C 3.44Å; R431-T434 WeakPolarHBondContact O-CA 3.24Å; R431-T434 VanDerWaalsContact O-CB 3.26Å; R431-T434 WeakPolarHBondContact O-CB 3.46Å; R431-T434 PolarHBondContact O-N 3.13Å; R431-T435 PolarHBondContact O-N 3.07Å; R431-T435 PolarHBondContact O-OG1 2.99Å; R431-E447 WeakPolarHBondContact CD-OE1 3.5Å; R431-E447 IonicContact NE-OE1 3.68Å; R431-E447 PolarHBondContact NE-OE1 2.58Å; R431-E451 IonicContact CZ-OE1 2.82Å; R431-E451 IonicContact CZ-OE2 2.95Å; R431-E451 IonicContact NE-OE1 3.63Å; R431-E451 PolarHBondContact NE-OE1 3.08Å; R431-E451 IonicContact NH2-OE1 3.17Å; R431-E451 PolarHBondContact NH2-OE1 3.34Å; R431-E451 IonicContact NH2-OE2 3.06Å; R431-E451 PolarHBondContact NH2-OE2 2.6Å
432	H	95.7	Very high	95.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-45	179.6	-61.9	159.6	0	0	0	111.9	D423 A427 G428 Y429 A430 T434 T435 Y436 L444 E447 E451	D423-H432 PolarHBondContact O-CE1 3.5Å; A427-H432 WeakPolarHBondContact CA-ND1 3.31Å; A427-H432 HydrophobicContact CB-CB 4Å; G428-H432 PolarHBondContact N-ND1 3.46Å; Y429-H432 AromaticContact CD2-CE1 3.33Å; Y429-H432 WeakPolarHBondContact CD2-CE1 3.39Å; Y429-H432 AromaticContact CD2-ND1 4Å; Y429-H432 AromaticContact CD2-NE2 3.74Å; Y429-H432 PolarHBondContact N-ND1 3.32Å; Y429-H432 WeakPolarHBondContact O-CB 3.39Å; Y429-H432 PolarHBondContact O-N 2.98Å; A430-H432 VanDerWaalsContact C-N 3.26Å; A430-H432 PolarHBondContact O-N 3.19Å; H432-T434 PolarHBondContact O-N 3.24Å; H432-T435 PolarHBondContact O-N 2.79Å; H432-Y436 WeakPolarHBondContact O-CB 3.43Å; H432-Y436 PolarHBondContact O-N 2.8Å; H432-L444 HydrophobicContact CB-CD1 3.59Å; H432-E447 IonicContact CD2-OE1 2.7Å; H432-E451 IonicContact CE1-OE2 3.51Å; H432-E451 IonicContact NE2-OE1 2.84Å; H432-E451 IonicContact NE2-OE2 2.81Å; H432-E451 PolarHBondContact NE2-OE2 2.82Å
433	L	93.6	Very high	95.8	Very high	13 Å²	13	49 Å²	49	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-36.8	172.7	-177.2	61.7	0	0	0	111.3	A430 R431 K437 I496 P498 E506	A430-L433 PolarHBondContact O-N 3.01Å; R431-L433 PolarHBondContact O-N 2.99Å; L433-K437 HydrophobicContact CD1-CD 4.35Å; L433-K437 HydrophobicContact CG-CD 4.35Å; L433-K437 WeakPolarHBondContact O-CB 3.37Å; L433-K437 WeakPolarHBondContact O-CG 3.43Å; L433-K437 PolarHBondContact O-N 2.69Å; L433-I496 HydrophobicContact CB-CD1 4.29Å; L433-I496 HydrophobicContact CD1-CD1 4.1Å; L433-P498 HydrophobicContact CD1-CB 4Å; L433-E506 HydrophobicContact CB-CG 4.48Å
434	T	93.7	Very high	95.8	Very high	66 Å²	66	48.8 Å²	48.8	41%	0.405	24%	0.241	S	C	.	.	H	α-helix	trans	-67.1	-46	176.6	-53.4	0	0	0	0	111.5	A430 R431 H432 Y436 K437 K438	A430-T434 PolarHBondContact O-N 3.12Å; A430-T434 PolarHBondContact O-OG1 3.06Å; A430-T434 VanDerWaalsContact O-OG1 3.05Å; R431-T434 CarbonylContact O-C 3.44Å; R431-T434 WeakPolarHBondContact O-CA 3.24Å; R431-T434 VanDerWaalsContact O-CB 3.26Å; R431-T434 WeakPolarHBondContact O-CB 3.46Å; R431-T434 PolarHBondContact O-N 3.13Å; H432-T434 PolarHBondContact O-N 3.24Å; T434-Y436 VanDerWaalsContact C-N 3.35Å; T434-K437 PolarHBondContact O-N 2.9Å; T434-K438 HydrophobicContact CG2-CD 3.99Å; T434-K438 HydrophobicContact CG2-CG 4.43Å; T434-K438 WeakPolarHBondContact O-CB 3.19Å; T434-K438 WeakPolarHBondContact O-CG 3.37Å; T434-K438 PolarHBondContact O-N 3.48Å
435	T	96.3	Very high	95.8	Very high	21 Å²	21	53.9 Å²	53.9	13%	0.129	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-46.8	175.7	-61.2	0	0	0	0	110.7	R431 H432 K437 K438 F439 A443 L444 E447	R431-T435 PolarHBondContact O-N 3.07Å; R431-T435 PolarHBondContact O-OG1 2.99Å; H432-T435 PolarHBondContact O-N 2.79Å; T435-K437 PolarHBondContact O-N 3.28Å; T435-K438 PolarHBondContact O-N 3.3Å; T435-F439 HydrophobicContact CG2-CD2 4.15Å; T435-F439 WeakPolarHBondContact O-CA 3.06Å; T435-F439 WeakPolarHBondContact O-CB 3.49Å; T435-F439 PolarHBondContact O-N 2.96Å; T435-A443 HydrophobicContact CG2-CB 4.08Å; T435-L444 HydrophobicContact CG2-CB 4.46Å; T435-E447 WeakPolarHBondContact CB-OE2 3.46Å; T435-E447 WeakPolarHBondContact CG2-OE2 3.16Å; T435-E447 PolarHBondContact OG1-OE2 2.9Å
436	Y	96	Very high	95.7	Very high	64 Å²	64	60.8 Å²	60.8	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-56.3	-51.4	176.7	-172.5	-78	0	0	0	111.5	H432 T434 K438 G440 P441 L444 L492 I496 P498	H432-Y436 WeakPolarHBondContact O-CB 3.43Å; H432-Y436 PolarHBondContact O-N 2.8Å; T434-Y436 VanDerWaalsContact C-N 3.35Å; Y436-K438 VanDerWaalsContact C-N 3.33Å; Y436-K438 PolarHBondContact O-N 3.06Å; Y436-G440 WeakPolarHBondContact O-CA 3.25Å; Y436-G440 PolarHBondContact O-N 3.07Å; Y436-P441 HydrophobicContact CD2-CB 4.38Å; Y436-P441 HydrophobicContact CE2-CB 3.73Å; Y436-L444 HydrophobicContact CD2-CB 4.38Å; Y436-L444 HydrophobicContact CD2-CD2 3.86Å; Y436-L444 HydrophobicContact CG-CD2 4.47Å; Y436-L492 HydrophobicContact CD2-CD2 4.25Å; Y436-L492 HydrophobicContact CE2-CD2 4.07Å; Y436-I496 HydrophobicContact CD2-CG2 4.39Å; Y436-P498 HydrophobicContact CD1-CB 3.53Å; Y436-P498 HydrophobicContact CD1-CG 3.94Å; Y436-P498 HydrophobicContact CE1-CB 3.54Å; Y436-P498 HydrophobicContact CE1-CG 3.39Å; Y436-P498 HydrophobicContact CG-CB 4.28Å
437	K	94.2	Very high	95.7	Very high	131 Å²	131	62.6 Å²	62.6	57%	0.57	30%	0.299	S	S	*	.	H	α-helix	trans	-66.5	-32.7	-176.6	-73.8	-177.2	176.3	-176.8	0	113.2	L433 T434 T435 P498	L433-K437 HydrophobicContact CD1-CD 4.35Å; L433-K437 HydrophobicContact CG-CD 4.35Å; L433-K437 WeakPolarHBondContact O-CB 3.37Å; L433-K437 WeakPolarHBondContact O-CG 3.43Å; L433-K437 PolarHBondContact O-N 2.69Å; T434-K437 PolarHBondContact O-N 2.9Å; T435-K437 PolarHBondContact O-N 3.28Å; K437-P498 WeakPolarHBondContact CE-O 3.31Å; K437-P498 PolarHBondContact NZ-O 2.76Å
438	K	96.5	Very high	95.7	Very high	150 Å²	150	63.1 Å²	63.1	65%	0.652	30%	0.302	S	S	*	.	H	α-helix	trans	-88.8	-37.7	-177.3	-71.7	-172.7	177.2	-174.7	0	113.9	T434 T435 Y436	T434-K438 HydrophobicContact CG2-CD 3.99Å; T434-K438 HydrophobicContact CG2-CG 4.43Å; T434-K438 WeakPolarHBondContact O-CB 3.19Å; T434-K438 WeakPolarHBondContact O-CG 3.37Å; T434-K438 PolarHBondContact O-N 3.48Å; T435-K438 PolarHBondContact O-N 3.3Å; Y436-K438 VanDerWaalsContact C-N 3.33Å; Y436-K438 PolarHBondContact O-N 3.06Å
439	F	97.5	Very high	95.6	Very high	146 Å²	146	68 Å²	68	64%	0.64	32%	0.323	S	S	*	.	H	α-helix	trans	-125.7	0.6	-166.8	-53.1	-64.1	0	0	0	113.5	T435 A443	T435-F439 HydrophobicContact CG2-CD2 4.15Å; T435-F439 WeakPolarHBondContact O-CA 3.06Å; T435-F439 WeakPolarHBondContact O-CB 3.49Å; T435-F439 PolarHBondContact O-N 2.96Å; F439-A443 HydrophobicContact CB-CB 3.39Å; F439-A443 WeakPolarHBondContact O-CB 3.5Å
440	G	96.5	Very high	95.6	Very high	23 Å²	23	72 Å²	72	24%	0.237	34%	0.341	C	S	.	.			trans	85.1	175.1	174.7	0	0	0	0	0	115	Y436 E442 A443 L444	Y436-G440 WeakPolarHBondContact O-CA 3.25Å; Y436-G440 PolarHBondContact O-N 3.07Å; G440-E442 PolarHBondContact O-N 2.89Å; G440-A443 PolarHBondContact O-N 2.9Å; G440-L444 PolarHBondContact O-N 3.34Å
441	P	96.5	Very high	95.8	Very high	63 Å²	63	70.9 Å²	70.9	41%	0.409	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-40.4	-174.9	22.8	-33.5	0	0	0	113.2	Y436 A443 L444 Q445 L492	Y436-P441 HydrophobicContact CD2-CB 4.38Å; Y436-P441 HydrophobicContact CE2-CB 3.73Å; P441-A443 VanDerWaalsContact C-N 3.32Å; P441-A443 PolarHBondContact O-N 3.1Å; P441-L444 PolarHBondContact O-N 3.32Å; P441-Q445 PolarHBondContact O-N 3.5Å; P441-L492 HydrophobicContact CB-CD2 3.67Å; P441-L492 WeakPolarHBondContact O-CD2 3.35Å
442	E	97	Very high	95.9	Very high	132 Å²	132	67.3 Å²	67.3	62%	0.617	32%	0.317	S	S	*	.	H	α-helix	trans	-64.3	-37	-179.3	-59.9	177.3	-176.8	0	0	112.4	G440 Q445 R446	G440-E442 PolarHBondContact O-N 2.89Å; E442-Q445 PolarHBondContact O-N 3.07Å; E442-R446 WeakPolarHBondContact O-CG 3.43Å; E442-R446 PolarHBondContact O-N 3.29Å; E442-R446 IonicContact OE2-NH1 2.71Å
443	A	97.9	Very high	95.7	Very high	14 Å²	14	68.2 Å²	68.2	12%	0.116	32%	0.322	C	S	.	.	H	α-helix	trans	-66	-42.4	176.7	0	0	0	0	0	111.1	T435 F439 G440 P441 R446 E447	T435-A443 HydrophobicContact CG2-CB 4.08Å; F439-A443 HydrophobicContact CB-CB 3.39Å; F439-A443 WeakPolarHBondContact O-CB 3.5Å; G440-A443 PolarHBondContact O-N 2.9Å; P441-A443 VanDerWaalsContact C-N 3.32Å; P441-A443 PolarHBondContact O-N 3.1Å; A443-R446 PolarHBondContact O-N 2.75Å; A443-E447 PolarHBondContact O-N 2.76Å
444	L	97.8	Very high	95.7	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62	-45	173.3	175.8	59.3	0	0	0	111.1	A427 H432 T435 Y436 G440 P441 R446 E447 L448 L492 I496	A427-L444 HydrophobicContact CB-CD2 4.1Å; H432-L444 HydrophobicContact CB-CD1 3.59Å; T435-L444 HydrophobicContact CG2-CB 4.46Å; Y436-L444 HydrophobicContact CD2-CB 4.38Å; Y436-L444 HydrophobicContact CD2-CD2 3.86Å; Y436-L444 HydrophobicContact CG-CD2 4.47Å; G440-L444 PolarHBondContact O-N 3.34Å; P441-L444 PolarHBondContact O-N 3.32Å; L444-R446 VanDerWaalsContact C-N 3.29Å; L444-R446 PolarHBondContact O-N 2.74Å; L444-E447 WeakPolarHBondContact O-CB 3.41Å; L444-E447 PolarHBondContact O-N 2.75Å; L444-L448 HydrophobicContact CD1-CD1 4.18Å; L444-L448 HydrophobicContact CD1-CD2 3.97Å; L444-L448 HydrophobicContact CD1-CG 3.83Å; L444-L448 HydrophobicContact CG-CD1 4.04Å; L444-L448 HydrophobicContact CG-CG 4.15Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 2.91Å; L444-L492 HydrophobicContact CB-CD2 4.44Å; L444-L492 HydrophobicContact CD2-CD1 4.02Å; L444-L492 HydrophobicContact CD2-CD2 4.26Å; L444-L492 HydrophobicContact CG-CD1 4.35Å; L444-I496 HydrophobicContact CD2-CD1 4.17Å; L444-I496 HydrophobicContact CD2-CG2 3.86Å
445	Q	96.4	Very high	95.6	Very high	116 Å²	116	67.2 Å²	67.2	54%	0.542	31%	0.312	S	S	.	.	H	α-helix	trans	-59.6	-39.9	179.7	-172.3	170.3	-4.9	0	0	112.3	P441 E442 F449	P441-Q445 PolarHBondContact O-N 3.5Å; E442-Q445 PolarHBondContact O-N 3.07Å; Q445-F449 WeakPolarHBondContact O-CB 3.49Å; Q445-F449 PolarHBondContact O-N 2.81Å
446	R	96.1	Very high	95.3	Very high	151 Å²	151	66.3 Å²	66.3	57%	0.57	31%	0.306	S	S	*	.	H	α-helix	trans	-64.8	-39.9	172.8	-71.5	-173.8	-64.4	-93.6	3.2	112.6	E442 A443 L444 K450	E442-R446 WeakPolarHBondContact O-CG 3.43Å; E442-R446 PolarHBondContact O-N 3.29Å; E442-R446 IonicContact OE2-NH1 2.71Å; A443-R446 PolarHBondContact O-N 2.75Å; L444-R446 VanDerWaalsContact C-N 3.29Å; L444-R446 PolarHBondContact O-N 2.74Å; R446-K450 WeakPolarHBondContact O-CB 3.43Å; R446-K450 PolarHBondContact O-N 2.69Å
447	E	97	Very high	94.7	Very high	39 Å²	39	65.2 Å²	65.2	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-51.3	176	-174	176	178.8	0	0	111	R431 H432 T435 A443 L444 F449 K450 E451	R431-E447 WeakPolarHBondContact CD-OE1 3.5Å; R431-E447 IonicContact NE-OE1 3.68Å; R431-E447 PolarHBondContact NE-OE1 2.58Å; H432-E447 IonicContact CD2-OE1 2.7Å; T435-E447 WeakPolarHBondContact CB-OE2 3.46Å; T435-E447 WeakPolarHBondContact CG2-OE2 3.16Å; T435-E447 PolarHBondContact OG1-OE2 2.9Å; A443-E447 PolarHBondContact O-N 2.76Å; L444-E447 WeakPolarHBondContact O-CB 3.41Å; L444-E447 PolarHBondContact O-N 2.75Å; E447-F449 VanDerWaalsContact C-N 3.34Å; E447-F449 PolarHBondContact O-N 3.44Å; E447-K450 PolarHBondContact O-N 3.46Å; E447-K450 VanDerWaalsContact O-N 3.17Å; E447-E451 WeakPolarHBondContact O-CG 3.47Å; E447-E451 PolarHBondContact O-N 3.18Å
448	L	96.9	Very high	94.2	Very high	11 Å²	11	64.7 Å²	64.7	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-59.8	-43.3	178.9	-61	177.3	0	0	0	111.9	E424 A427 L444 K450 E451 L452 L492	E424-L448 VanDerWaalsContact O-CD2 3.28Å; E424-L448 WeakPolarHBondContact O-CD2 3.29Å; A427-L448 HydrophobicContact CB-CD1 4.16Å; A427-L448 HydrophobicContact CB-CD2 4.13Å; L444-L448 HydrophobicContact CD1-CD1 4.18Å; L444-L448 HydrophobicContact CD1-CD2 3.97Å; L444-L448 HydrophobicContact CD1-CG 3.83Å; L444-L448 HydrophobicContact CG-CD1 4.04Å; L444-L448 HydrophobicContact CG-CG 4.15Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 2.91Å; L448-K450 PolarHBondContact O-N 3Å; L448-E451 PolarHBondContact O-N 3.27Å; L448-L452 WeakPolarHBondContact O-CB 3.47Å; L448-L452 PolarHBondContact O-N 2.92Å; L448-L492 HydrophobicContact CD1-CD1 4Å
449	F	94.6	Very high	93.6	Very high	104 Å²	104	59.2 Å²	59.2	46%	0.456	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-47	176.1	177	-95.8	0	0	0	111.6	Q184 Q445 E447 L452 L453	Q184-F449 HydrophobicContact CB-CZ 4.13Å; Q184-F449 HydrophobicContact CG-CZ 3.93Å; Q445-F449 WeakPolarHBondContact O-CB 3.49Å; Q445-F449 PolarHBondContact O-N 2.81Å; E447-F449 VanDerWaalsContact C-N 3.34Å; E447-F449 PolarHBondContact O-N 3.44Å; F449-L452 PolarHBondContact O-N 2.84Å; F449-L453 HydrophobicContact CE1-CD2 4.16Å; F449-L453 WeakPolarHBondContact O-CB 2.98Å; F449-L453 PolarHBondContact O-N 2.86Å
450	K	94.2	Very high	93.4	Very high	134 Å²	134	52.4 Å²	52.4	58%	0.583	25%	0.247	S	C	*	.	H	α-helix	trans	-63.7	-42.1	178.1	-173.3	179.3	-179.9	179.4	0	111.4	R446 E447 L448 L453 F454	R446-K450 WeakPolarHBondContact O-CB 3.43Å; R446-K450 PolarHBondContact O-N 2.69Å; E447-K450 PolarHBondContact O-N 3.46Å; E447-K450 VanDerWaalsContact O-N 3.17Å; L448-K450 PolarHBondContact O-N 3Å; K450-L453 PolarHBondContact O-N 2.95Å; K450-F454 HydrophobicContact CG-CD2 3.83Å; K450-F454 HydrophobicContact CG-CE2 4.06Å; K450-F454 VanDerWaalsContact O-CD2 3.29Å; K450-F454 WeakPolarHBondContact O-CD2 3.33Å; K450-F454 PolarHBondContact O-N 2.99Å
451	E	94.8	Very high	93	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.075	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-42.5	180	-71.8	-170.1	171.8	0	0	112.6	E424 R431 H432 E447 L448 F454 I455	E424-E451 HydrophobicContact CB-CB 4.14Å; E424-E451 HydrophobicContact CG-CB 4.01Å; R431-E451 IonicContact CZ-OE1 2.82Å; R431-E451 IonicContact CZ-OE2 2.95Å; R431-E451 IonicContact NE-OE1 3.63Å; R431-E451 PolarHBondContact NE-OE1 3.08Å; R431-E451 IonicContact NH2-OE1 3.17Å; R431-E451 PolarHBondContact NH2-OE1 3.34Å; R431-E451 IonicContact NH2-OE2 3.06Å; R431-E451 PolarHBondContact NH2-OE2 2.6Å; H432-E451 IonicContact CE1-OE2 3.51Å; H432-E451 IonicContact NE2-OE1 2.84Å; H432-E451 IonicContact NE2-OE2 2.81Å; H432-E451 PolarHBondContact NE2-OE2 2.82Å; E447-E451 WeakPolarHBondContact O-CG 3.47Å; E447-E451 PolarHBondContact O-N 3.18Å; L448-E451 PolarHBondContact O-N 3.27Å; E451-F454 PolarHBondContact O-N 3.11Å; E451-I455 PolarHBondContact O-N 3.2Å; E451-I455 VanDerWaalsContact O-N 3.11Å
452	L	94.5	Very high	92.7	Very high	19 Å²	19	48.8 Å²	48.8	10%	0.099	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-44.9	174.6	-179.2	65	0	0	0	111.6	Q425 L448 F449 F454 I455 L479 V484 V488	Q425-L452 HydrophobicContact CG-CD1 4.04Å; Q425-L452 HydrophobicContact CG-CD2 4.49Å; L448-L452 WeakPolarHBondContact O-CB 3.47Å; L448-L452 PolarHBondContact O-N 2.92Å; F449-L452 PolarHBondContact O-N 2.84Å; L452-F454 VanDerWaalsContact C-N 3.3Å; L452-F454 PolarHBondContact O-N 2.67Å; L452-I455 WeakPolarHBondContact O-CB 3.38Å; L452-I455 WeakPolarHBondContact O-CG2 3.18Å; L452-I455 PolarHBondContact O-N 3.34Å; L452-L479 HydrophobicContact CD1-CD2 4.03Å; L452-V484 HydrophobicContact CD1-CG1 4.46Å; L452-V484 HydrophobicContact CD2-CG1 3.63Å; L452-V488 HydrophobicContact CD2-CG2 4.15Å
453	L	92.4	Very high	92.6	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-40.6	179.4	-178.8	62.6	0	0	0	112	Q184 L187 L188 F449 K450	Q184-L453 HydrophobicContact CB-CD2 4.5Å; L187-L453 HydrophobicContact CB-CD2 4.3Å; L187-L453 HydrophobicContact CD1-CD2 3.93Å; L188-L453 HydrophobicContact CD1-CD1 4.12Å; L188-L453 WeakPolarHBondContact CD1-O 3.46Å; L188-L453 HydrophobicContact CD2-CG 4.17Å; L188-L453 WeakPolarHBondContact CD2-O 3.34Å; L188-L453 HydrophobicContact CG-CD1 4.24Å; L188-L453 HydrophobicContact CG-CG 4.31Å; F449-L453 HydrophobicContact CE1-CD2 4.16Å; F449-L453 WeakPolarHBondContact O-CB 2.98Å; F449-L453 PolarHBondContact O-N 2.86Å; K450-L453 PolarHBondContact O-N 2.95Å
454	F	92.5	Very high	92.3	Very high	56 Å²	56	43 Å²	43	25%	0.246	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6.9	-176.8	-75.3	-89.2	0	0	0	114	L187 L188 K450 E451 L452 S456 N457 R458	L187-F454 HydrophobicContact CB-CZ 4.28Å; L188-F454 HydrophobicContact CD2-CD1 3.46Å; L188-F454 VanDerWaalsContact CD2-CD1 3.46Å; L188-F454 HydrophobicContact CD2-CD2 4.32Å; L188-F454 HydrophobicContact CD2-CE1 3.59Å; L188-F454 HydrophobicContact CD2-CE2 4.43Å; L188-F454 HydrophobicContact CD2-CG 3.86Å; L188-F454 HydrophobicContact CD2-CZ 4.08Å; K450-F454 HydrophobicContact CG-CD2 3.83Å; K450-F454 HydrophobicContact CG-CE2 4.06Å; K450-F454 VanDerWaalsContact O-CD2 3.29Å; K450-F454 WeakPolarHBondContact O-CD2 3.33Å; K450-F454 PolarHBondContact O-N 2.99Å; E451-F454 PolarHBondContact O-N 3.11Å; L452-F454 VanDerWaalsContact C-N 3.3Å; L452-F454 PolarHBondContact O-N 2.67Å; F454-S456 VanDerWaalsContact C-N 3.27Å; F454-S456 PolarHBondContact O-N 3.01Å; F454-N457 PolarHBondContact O-N 2.88Å; F454-N457 VanDerWaalsContact O-N 3.15Å; F454-R458 WeakPolarHBondContact O-CG 2.96Å; F454-R458 PolarHBondContact O-N 3.13Å; F454-R458 VanDerWaalsContact O-N 3.08Å
455	I	92.5	Very high	91.9	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-35.5	-175.1	-160.8	165.8	0	0	0	112.5	E424 E451 L452 N457 R458 N459 L460 L479	E424-I455 HydrophobicContact CG-CD1 4.17Å; E451-I455 PolarHBondContact O-N 3.2Å; E451-I455 VanDerWaalsContact O-N 3.11Å; L452-I455 WeakPolarHBondContact O-CB 3.38Å; L452-I455 WeakPolarHBondContact O-CG2 3.18Å; L452-I455 PolarHBondContact O-N 3.34Å; I455-N457 PolarHBondContact O-N 3.33Å; I455-R458 PolarHBondContact O-N 2.86Å; I455-N459 HydrophobicContact CG1-CB 4.36Å; I455-N459 PolarHBondContact O-N 3.04Å; I455-L460 HydrophobicContact CG1-CD2 4.27Å; I455-L460 HydrophobicContact CG1-CG 4.16Å; I455-L460 HydrophobicContact CG2-CD1 4.09Å; I455-L460 HydrophobicContact CG2-CG 4.46Å; I455-L460 PolarHBondContact O-N 3.39Å; I455-L479 HydrophobicContact CD1-CD1 4.04Å; I455-L479 HydrophobicContact CD1-CD2 4Å
456	S	89.6	Confident	91.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	17%	0.167	C	C	.	.	I	π-helix	trans	-56.8	-37.3	177.2	64.3	0	0	0	0	112.4	R99 F102 F454	R99-S456 PolarHBondContact NH2-O 3.11Å; F102-S456 WeakPolarHBondContact O-CA 3.4Å; F102-S456 WeakPolarHBondContact O-CB 3.38Å; F454-S456 VanDerWaalsContact C-N 3.27Å; F454-S456 PolarHBondContact O-N 3.01Å
457	N	83.3	Confident	91.6	Very high	41 Å²	41	31 Å²	31	22%	0.219	14%	0.14	C	C	.	.	I	π-helix	trans	-88.3	-36.9	-174.5	-67.6	4.9	0	0	0	110.1	H377 F454 I455	H377-N457 PolarHBondContact CD2-O 3.35Å; H377-N457 PolarHBondContact CE1-O 3.22Å; H377-N457 PolarHBondContact NE2-O 2.94Å; F454-N457 PolarHBondContact O-N 2.88Å; F454-N457 VanDerWaalsContact O-N 3.15Å; I455-N457 PolarHBondContact O-N 3.33Å
458	R	83	Confident	91.2	Very high	119 Å²	119	30.6 Å²	30.6	45%	0.449	14%	0.141	S	C	.	.	I	π-helix	trans	-83.3	-36.8	-174.3	-65.8	-178.9	69	177.7	1.7	114.2	F454 I455	F454-R458 WeakPolarHBondContact O-CG 2.96Å; F454-R458 PolarHBondContact O-N 3.13Å; F454-R458 VanDerWaalsContact O-N 3.08Å; I455-R458 PolarHBondContact O-N 2.86Å
459	N	85.1	Confident	90.7	Very high	35 Å²	35	31.6 Å²	31.6	19%	0.187	15%	0.151	C	C	.	.	I	π-helix	trans	-125.5	-56.8	-166.4	-62.4	-15.2	0	0	0	111.8	I455 G461 R462 D463	I455-N459 HydrophobicContact CG1-CB 4.36Å; I455-N459 PolarHBondContact O-N 3.04Å; N459-G461 PolarHBondContact O-N 2.84Å; N459-R462 PolarHBondContact O-N 3.34Å; N459-D463 PolarHBondContact O-N 3.33Å
460	L	92.2	Very high	90.4	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	14%	0.14	C	C	.	.	I	π-helix	trans	-69.7	-39	-157.7	-55.5	-169	0	0	0	114.1	F102 G103 I455 R462 D463 D464 L476 L479	F102-L460 VanDerWaalsContact O-CD1 3.31Å; F102-L460 WeakPolarHBondContact O-CD1 3.17Å; G103-L460 VanDerWaalsContact O-CB 3.26Å; G103-L460 WeakPolarHBondContact O-CB 3.37Å; I455-L460 HydrophobicContact CG1-CD2 4.27Å; I455-L460 HydrophobicContact CG1-CG 4.16Å; I455-L460 HydrophobicContact CG2-CD1 4.09Å; I455-L460 HydrophobicContact CG2-CG 4.46Å; I455-L460 PolarHBondContact O-N 3.39Å; L460-R462 PolarHBondContact O-N 3.3Å; L460-D463 PolarHBondContact O-N 2.92Å; L460-D464 VanDerWaalsContact O-CB 3.26Å; L460-D464 WeakPolarHBondContact O-CB 3.29Å; L460-D464 PolarHBondContact O-N 3.33Å; L460-L476 HydrophobicContact CD1-CD1 4.21Å; L460-L476 HydrophobicContact CD2-CD1 3.63Å; L460-L476 HydrophobicContact CG-CD1 4.46Å; L460-L479 HydrophobicContact CD1-CD1 3.74Å; L460-L479 HydrophobicContact CD2-CD1 3.88Å; L460-L479 HydrophobicContact CG-CD1 4.43Å
461	G	89.3	Confident	89.9	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-47.8	176.3	0	0	0	0	0	112.2	N459 R465	N459-G461 PolarHBondContact O-N 2.84Å; G461-R465 WeakPolarHBondContact O-CG 3.13Å; G461-R465 PolarHBondContact O-N 3Å; G461-R465 VanDerWaalsContact O-N 3.17Å; G461-R465 PolarHBondContact O-NH1 2.94Å; G461-R465 VanDerWaalsContact O-NH1 3.1Å
462	R	90.7	Very high	89.6	Confident	8 Å²	8	25.3 Å²	25.3	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-52.6	175	177.7	-162.7	64.7	-136	-10.1	110.8	L373 D382 N459 L460 D464 R465 I466	L373-R462 HydrophobicContact CD2-CG 3.63Å; D382-R462 IonicContact OD1-NH1 3.27Å; D382-R462 PolarHBondContact OD1-NH1 2.87Å; N459-R462 PolarHBondContact O-N 3.34Å; L460-R462 PolarHBondContact O-N 3.3Å; R462-D464 VanDerWaalsContact C-N 3.34Å; R462-D464 PolarHBondContact O-N 3.16Å; R462-R465 PolarHBondContact O-N 3.04Å; R462-I466 HydrophobicContact CG-CG1 4.29Å; R462-I466 WeakPolarHBondContact O-CB 3.43Å; R462-I466 WeakPolarHBondContact O-CG1 3.29Å; R462-I466 PolarHBondContact O-N 3.31Å
463	D	93.2	Very high	89.4	Confident	13 Å²	13	26.1 Å²	26.1	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-42.3	-173.3	-64.9	-4	0	0	0	111	L389 N459 L460 I466 I467	L389-D463 HydrophobicContact CD1-CB 3.84Å; L389-D463 WeakPolarHBondContact CD1-OD1 3.11Å; N459-D463 PolarHBondContact O-N 3.33Å; L460-D463 PolarHBondContact O-N 2.92Å; D463-I466 PolarHBondContact O-N 2.98Å; D463-I467 WeakPolarHBondContact O-CB 3.37Å; D463-I467 VanDerWaalsContact O-CD1 3.28Å; D463-I467 WeakPolarHBondContact O-CD1 3.42Å; D463-I467 WeakPolarHBondContact O-CG1 3.42Å; D463-I467 PolarHBondContact O-N 3Å
464	D	92.2	Very high	89.5	Confident	12 Å²	12	25.7 Å²	25.7	6%	0.064	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-46.7	177.1	-178.6	67.6	0	0	0	112.2	H105 S106 L460 R462 I466 I467 S468 P474	H105-D464 WeakPolarHBondContact CA-OD2 3.19Å; H105-D464 IonicContact CE1-OD1 3.5Å; H105-D464 IonicContact CG-OD1 3.57Å; H105-D464 IonicContact ND1-OD1 2.76Å; H105-D464 PolarHBondContact ND1-OD1 2.96Å; H105-D464 IonicContact ND1-OD2 3.17Å; S106-D464 PolarHBondContact N-OD2 2.88Å; L460-D464 VanDerWaalsContact O-CB 3.26Å; L460-D464 WeakPolarHBondContact O-CB 3.29Å; L460-D464 PolarHBondContact O-N 3.33Å; R462-D464 VanDerWaalsContact C-N 3.34Å; R462-D464 PolarHBondContact O-N 3.16Å; D464-I466 PolarHBondContact O-N 3.05Å; D464-I467 PolarHBondContact O-N 2.81Å; D464-S468 WeakPolarHBondContact O-CB 3.46Å; D464-S468 PolarHBondContact O-N 3.4Å; D464-S468 PolarHBondContact O-OG 3.28Å; D464-P474 WeakPolarHBondContact OD1-CG 3.38Å
465	R	90.3	Very high	89.6	Confident	15 Å²	15	23.2 Å²	23.2	6%	0.057	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-44.3	177.2	-69	-171.5	-61.1	-89	10.8	112.4	S106 V125 E153 L372 L373 L374 G461 R462 A469	S106-R465 PolarHBondContact OG-NH1 2.99Å; V125-R465 VanDerWaalsContact CG2-CD 3.44Å; V125-R465 HydrophobicContact CG2-CG 4.3Å; E153-R465 IonicContact OE1-NH1 3.71Å; E153-R465 IonicContact OE2-CZ 2.65Å; E153-R465 IonicContact OE2-NH1 3.3Å; E153-R465 PolarHBondContact OE2-NH1 2.93Å; E153-R465 IonicContact OE2-NH2 3.19Å; L372-R465 HydrophobicContact CD2-CB 4.47Å; L372-R465 PolarHBondContact O-NE 3.42Å; L373-R465 PolarHBondContact O-NH2 2.7Å; L374-R465 PolarHBondContact O-NE 3.3Å; L374-R465 PolarHBondContact O-NH2 3.3Å; G461-R465 WeakPolarHBondContact O-CG 3.13Å; G461-R465 PolarHBondContact O-N 3Å; G461-R465 VanDerWaalsContact O-N 3.17Å; G461-R465 PolarHBondContact O-NH1 2.94Å; G461-R465 VanDerWaalsContact O-NH1 3.1Å; R462-R465 PolarHBondContact O-N 3.04Å; R465-A469 WeakPolarHBondContact O-CB 3.32Å; R465-A469 PolarHBondContact O-N 3.37Å; R465-A469 VanDerWaalsContact O-N 3.09Å
466	I	92	Very high	89.8	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.7	-45.1	-179	-70.6	-74.4	0	0	0	111	V369 L372 G386 L389 W390 R462 D463 D464	V369-I466 HydrophobicContact CB-CD1 4.48Å; V369-I466 HydrophobicContact CG1-CD1 4.01Å; L372-I466 HydrophobicContact CB-CD1 3.58Å; L372-I466 HydrophobicContact CB-CG1 4.3Å; L372-I466 HydrophobicContact CD1-CD1 4.02Å; L372-I466 HydrophobicContact CG-CD1 4.45Å; G386-I466 WeakPolarHBondContact O-CG2 3.12Å; L389-I466 HydrophobicContact CB-CB 4.46Å; L389-I466 HydrophobicContact CB-CG2 3.53Å; W390-I466 HydrophobicContact CB-CG2 3.73Å; R462-I466 HydrophobicContact CG-CG1 4.29Å; R462-I466 WeakPolarHBondContact O-CB 3.43Å; R462-I466 WeakPolarHBondContact O-CG1 3.29Å; R462-I466 PolarHBondContact O-N 3.31Å; D463-I466 PolarHBondContact O-N 2.98Å; D464-I466 PolarHBondContact O-N 3.05Å
467	I	92.4	Very high	90.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-72.4	-45.2	-179.1	-66	162	0	0	0	110.7	A393 L416 L418 D463 D464 A469 H470 R472 P474	A393-I467 HydrophobicContact CB-CB 4.37Å; A393-I467 HydrophobicContact CB-CG1 4.3Å; A393-I467 HydrophobicContact CB-CG2 4.29Å; L416-I467 HydrophobicContact CD1-CG2 4.22Å; L418-I467 HydrophobicContact CD1-CD1 3.99Å; L418-I467 HydrophobicContact CD2-CD1 3.51Å; L418-I467 HydrophobicContact CG-CD1 4.38Å; D463-I467 WeakPolarHBondContact O-CB 3.37Å; D463-I467 VanDerWaalsContact O-CD1 3.28Å; D463-I467 WeakPolarHBondContact O-CD1 3.42Å; D463-I467 WeakPolarHBondContact O-CG1 3.42Å; D463-I467 PolarHBondContact O-N 3Å; D464-I467 PolarHBondContact O-N 2.81Å; I467-A469 PolarHBondContact O-N 2.8Å; I467-H470 PolarHBondContact O-N 3.05Å; I467-H470 VanDerWaalsContact O-N 3.13Å; I467-R472 HydrophobicContact CG2-CB 3.74Å; I467-P474 HydrophobicContact CD1-CB 4.05Å; I467-P474 HydrophobicContact CG2-CB 4.28Å; I467-P474 HydrophobicContact CG2-CG 4.49Å
468	S	89	Confident	90.8	Very high	29 Å²	29	22.3 Å²	22.3	20%	0.203	12%	0.123	C	C	.	.	H	α-helix	trans	-66.5	-21	-177.6	-61.2	0	0	0	0	113.2	D464 H470 G471 R472	D464-S468 WeakPolarHBondContact O-CB 3.46Å; D464-S468 PolarHBondContact O-N 3.4Å; D464-S468 PolarHBondContact O-OG 3.28Å; S468-H470 PolarHBondContact O-N 3.35Å; S468-H470 VanDerWaalsContact O-N 3.12Å; S468-G471 PolarHBondContact O-N 3.5Å; S468-R472 WeakPolarHBondContact CA-O 3.4Å
469	A	87.3	Confident	91.4	Very high	32 Å²	32	16.7 Å²	16.7	26%	0.264	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.5	172.8	0	0	0	0	0	113.5	L372 R465 I467	L372-A469 HydrophobicContact CD1-CB 3.44Å; L372-A469 VanDerWaalsContact CD1-CB 3.44Å; L372-A469 HydrophobicContact CD2-CB 4.06Å; L372-A469 HydrophobicContact CG-CB 4.4Å; R465-A469 WeakPolarHBondContact O-CB 3.32Å; R465-A469 PolarHBondContact O-N 3.37Å; R465-A469 VanDerWaalsContact O-N 3.09Å; I467-A469 PolarHBondContact O-N 2.8Å
470	H	87.6	Confident	91.8	Very high	48 Å²	48	15.9 Å²	15.9	22%	0.222	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	13.9	174	-68.4	-70.9	0	0	0	113.5	W390 A393 R394 I467 S468 R472	W390-H470 AromaticContact CD1-NE2 3.56Å; W390-H470 AromaticContact CD2-NE2 3.49Å; W390-H470 AromaticContact CE2-CE1 3.58Å; W390-H470 AromaticContact CE2-NE2 3.21Å; W390-H470 AromaticContact CG-NE2 3.71Å; W390-H470 AromaticContact CZ2-CE1 3.55Å; W390-H470 AromaticContact CZ2-NE2 3.7Å; W390-H470 AromaticContact NE1-CE1 3.86Å; W390-H470 AromaticContact NE1-NE2 3.25Å; W390-H470 PolarHBondContact NE1-NE2 2.95Å; W390-H470 PolarHBondContact O-NE2 3.08Å; A393-H470 HydrophobicContact CB-CB 4.45Å; R394-H470 PolarHBondContact N-CD2 3.02Å; I467-H470 PolarHBondContact O-N 3.05Å; I467-H470 VanDerWaalsContact O-N 3.13Å; S468-H470 PolarHBondContact O-N 3.35Å; S468-H470 VanDerWaalsContact O-N 3.12Å; H470-R472 HydrophobicContact CB-CG 3.85Å; H470-R472 PolarHBondContact O-N 3.23Å
471	G	84.2	Confident	91.8	Very high	46 Å²	46	16.5 Å²	16.5	47%	0.474	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	19.1	-176.5	0	0	0	0	0	113.6	S468	S468-G471 PolarHBondContact O-N 3.5Å
472	R	87.7	Confident	91.9	Very high	29 Å²	29	18.6 Å²	18.6	11%	0.109	11%	0.107	C	C	.	.			trans	-95.4	145.4	179.8	-51.8	-69.3	-172.7	-167.1	-3.2	109.8	A393 S411 S412 A413 K414 L416 I467 S468 H470	A393-R472 PolarHBondContact O-NE 3.35Å; S411-R472 PolarHBondContact O-NH1 3.18Å; S411-R472 VanDerWaalsContact O-NH1 3.08Å; S411-R472 PolarHBondContact O-NH2 3.04Å; S412-R472 VanDerWaalsContact C-NH1 3.25Å; S412-R472 PolarHBondContact O-NH1 3.25Å; A413-R472 WeakPolarHBondContact O-CD 3.3Å; A413-R472 PolarHBondContact O-NE 2.98Å; A413-R472 PolarHBondContact O-NH1 2.9Å; K414-R472 CarbonylContact O-C 3.57Å; K414-R472 WeakPolarHBondContact O-CA 3.29Å; L416-R472 HydrophobicContact CD1-CB 3.7Å; L416-R472 HydrophobicContact CD1-CG 3.68Å; L416-R472 HydrophobicContact CG-CB 4.04Å; L416-R472 HydrophobicContact CG-CG 4.29Å; I467-R472 HydrophobicContact CG2-CB 3.74Å; S468-R472 WeakPolarHBondContact CA-O 3.4Å; H470-R472 HydrophobicContact CB-CG 3.85Å; H470-R472 PolarHBondContact O-N 3.23Å
473	M	90.6	Very high	92.1	Very high	35 Å²	35	18.2 Å²	18.2	17%	0.172	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	112.9	179.1	-58.1	-176.2	83.6	0	0	109.8	F19 K414 F415 L416	F19-M473 HydrophobicContact CE1-CE 4.07Å; F19-M473 HydrophobicContact CZ-CE 4.06Å; K414-M473 PolarHBondContact O-N 3.07Å; F415-M473 WeakPolarHBondContact CA-O 3.2Å; F415-M473 HydrophobicContact CD1-CB 3.98Å; F415-M473 HydrophobicContact CD1-SD 4.29Å; F415-M473 HydrophobicContact CE1-CB 4.4Å; F415-M473 HydrophobicContact CE1-SD 3.75Å; L416-M473 PolarHBondContact N-O 2.96Å
474	P	93.9	Very high	92.2	Very high	11 Å²	11	17.9 Å²	17.9	7%	0.071	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	147	-178.5	27.1	-32.9	0	0	0	112.2	L416 L418 D464 I467	L416-P474 CarbonylContact O-C 3.56Å; L416-P474 VanDerWaalsContact O-CA 3.28Å; L416-P474 WeakPolarHBondContact O-CA 2.91Å; L418-P474 HydrophobicContact CD1-CB 3.68Å; D464-P474 WeakPolarHBondContact OD1-CG 3.38Å; I467-P474 HydrophobicContact CD1-CB 4.05Å; I467-P474 HydrophobicContact CG2-CB 4.28Å; I467-P474 HydrophobicContact CG2-CG 4.49Å
475	R	95.2	Very high	92.1	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.015	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.8	172.8	-58.6	-64.7	177	-108	13.1	109.5	S239 D243 L416 F417 L418 P477	S239-R475 WeakPolarHBondContact OG-CD 3.44Å; D243-R475 IonicContact OD1-CZ 3.68Å; D243-R475 IonicContact OD1-NE 2.84Å; D243-R475 PolarHBondContact OD1-NE 2.96Å; D243-R475 IonicContact OD1-NH2 3.6Å; D243-R475 PolarHBondContact OD1-NH2 3.43Å; D243-R475 IonicContact OD2-CZ 3.53Å; D243-R475 IonicContact OD2-NE 2.67Å; D243-R475 PolarHBondContact OD2-NE 3.4Å; D243-R475 IonicContact OD2-NH2 3.51Å; L416-R475 PolarHBondContact O-N 3.28Å; F417-R475 WeakPolarHBondContact CA-O 3.25Å; F417-R475 HydrophobicContact CD1-CB 3.65Å; F417-R475 HydrophobicContact CD1-CG 4.49Å; F417-R475 HydrophobicContact CD2-CB 4.15Å; F417-R475 HydrophobicContact CD2-CG 4.28Å; F417-R475 HydrophobicContact CE1-CB 3.74Å; F417-R475 HydrophobicContact CE1-CG 4.25Å; F417-R475 HydrophobicContact CE2-CB 4.21Å; F417-R475 HydrophobicContact CE2-CG 4.02Å; F417-R475 HydrophobicContact CG-CB 3.87Å; F417-R475 HydrophobicContact CZ-CB 4.02Å; F417-R475 HydrophobicContact CZ-CG 4.02Å; L418-R475 PolarHBondContact N-O 3.06Å; R475-P477 VanDerWaalsContact C-CD 3.49Å; R475-P477 VanDerWaalsContact O-CD 3.23Å; R475-P477 WeakPolarHBondContact O-CD 3.4Å
476	L	96.6	Very high	92.3	Very high	22 Å²	22	20.2 Å²	20.2	12%	0.115	12%	0.117	C	C	.	.			trans	-116.9	72.4	-175.6	-54.7	-175.5	0	0	0	110.1	L418 L460 Y478 L479	L418-L476 HydrophobicContact CB-CD2 3.67Å; L418-L476 HydrophobicContact CD1-CD2 3.8Å; L418-L476 HydrophobicContact CG-CD2 4.22Å; L460-L476 HydrophobicContact CD1-CD1 4.21Å; L460-L476 HydrophobicContact CD2-CD1 3.63Å; L460-L476 HydrophobicContact CG-CD1 4.46Å; L476-Y478 PolarHBondContact O-N 3.42Å; L476-Y478 VanDerWaalsContact O-N 3.09Å; L476-L479 HydrophobicContact CB-CB 4.16Å; L476-L479 HydrophobicContact CB-CD1 4.17Å; L476-L479 HydrophobicContact CD1-CD1 3.82Å; L476-L479 PolarHBondContact O-N 2.98Å
477	P	97.1	Very high	92.5	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.032	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-59.9	-28.8	-171.3	24.5	-35.6	0	0	0	113.3	L232 V235 I236 I280 F417 R475 L479 D480 I483	L232-P477 HydrophobicContact CD1-CB 4.2Å; V235-P477 HydrophobicContact CG1-CB 3.83Å; I236-P477 HydrophobicContact CD1-CB 4.46Å; I236-P477 HydrophobicContact CG1-CB 3.87Å; I236-P477 HydrophobicContact CG1-CG 4.36Å; I280-P477 HydrophobicContact CD1-CG 3.67Å; I280-P477 HydrophobicContact CG1-CG 3.99Å; F417-P477 HydrophobicContact CD1-CG 4.13Å; R475-P477 VanDerWaalsContact C-CD 3.49Å; R475-P477 VanDerWaalsContact O-CD 3.23Å; R475-P477 WeakPolarHBondContact O-CD 3.4Å; P477-L479 PolarHBondContact O-N 3.31Å; P477-D480 PolarHBondContact O-N 3.06Å; P477-I483 WeakPolarHBondContact O-CG1 3.25Å
478	Y	97.9	Very high	92.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-71.7	-15	176.4	-64.2	-57.1	0	0	0	114	F228 L232 D276 I280 I422 Q425 L476 I483 L510	F228-Y478 HydrophobicContact CZ-CD1 4.49Å; F228-Y478 HydrophobicContact CZ-CE1 4.41Å; L232-Y478 HydrophobicContact CD1-CD1 3.87Å; L232-Y478 HydrophobicContact CD1-CE1 3.85Å; L232-Y478 HydrophobicContact CD2-CD1 4.41Å; L232-Y478 HydrophobicContact CD2-CE1 3.63Å; L232-Y478 HydrophobicContact CG-CE1 4.42Å; D276-Y478 HydrophobicContact CB-CE2 4.13Å; D276-Y478 PolarHBondContact O-OH 2.78Å; I280-Y478 HydrophobicContact CD1-CD2 4.03Å; I280-Y478 HydrophobicContact CD1-CE2 3.49Å; I280-Y478 VanDerWaalsContact CD1-CE2 3.49Å; I280-Y478 HydrophobicContact CG1-CE2 3.82Å; I422-Y478 HydrophobicContact CB-CD1 3.98Å; I422-Y478 HydrophobicContact CB-CD2 3.67Å; I422-Y478 HydrophobicContact CB-CE1 4.38Å; I422-Y478 HydrophobicContact CB-CE2 4.1Å; I422-Y478 HydrophobicContact CB-CG 3.6Å; I422-Y478 HydrophobicContact CD1-CD1 3.6Å; I422-Y478 HydrophobicContact CD1-CE1 4.14Å; I422-Y478 HydrophobicContact CD1-CG 4Å; I422-Y478 HydrophobicContact CG1-CD1 3.78Å; I422-Y478 HydrophobicContact CG1-CD2 4.33Å; I422-Y478 HydrophobicContact CG1-CE1 3.99Å; I422-Y478 HydrophobicContact CG1-CG 3.97Å; I422-Y478 HydrophobicContact CG2-CD2 3.97Å; I422-Y478 HydrophobicContact CG2-CE2 4.02Å; I422-Y478 HydrophobicContact CG2-CG 4.4Å; Q425-Y478 PolarHBondContact NE2-O 3.47Å; L476-Y478 PolarHBondContact O-N 3.42Å; L476-Y478 VanDerWaalsContact O-N 3.09Å; Y478-I483 VanDerWaalsContact O-CG2 3.31Å; Y478-I483 WeakPolarHBondContact O-CG2 3.5Å; Y478-L510 HydrophobicContact CE1-CD1 4.11Å
479	L	96	Very high	92.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-105.3	6.2	178.2	-68.5	170.6	0	0	0	113.1	F102 H104 L452 I455 L460 L476 P477	F102-L479 WeakPolarHBondContact CD2-O 3.11Å; H104-L479 PolarHBondContact CE1-O 3.08Å; H104-L479 VanDerWaalsContact NE2-CB 3.32Å; H104-L479 WeakPolarHBondContact NE2-CB 3.25Å; H104-L479 PolarHBondContact NE2-O 3.26Å; L452-L479 HydrophobicContact CD1-CD2 4.03Å; I455-L479 HydrophobicContact CD1-CD1 4.04Å; I455-L479 HydrophobicContact CD1-CD2 4Å; L460-L479 HydrophobicContact CD1-CD1 3.74Å; L460-L479 HydrophobicContact CD2-CD1 3.88Å; L460-L479 HydrophobicContact CG-CD1 4.43Å; L476-L479 HydrophobicContact CB-CB 4.16Å; L476-L479 HydrophobicContact CB-CD1 4.17Å; L476-L479 HydrophobicContact CD1-CD1 3.82Å; L476-L479 PolarHBondContact O-N 2.98Å; P477-L479 PolarHBondContact O-N 3.31Å
480	D	93.4	Very high	92.9	Very high	18 Å²	18	27.3 Å²	27.3	10%	0.096	15%	0.145	C	C	.	.	S	Bend	trans	-58.2	139.3	168.2	-177	-74.7	0	0	0	110	R37 V235 P477 R482 I483 V484	R37-D480 IonicContact CZ-OD2 2.77Å; R37-D480 IonicContact NH2-OD1 3.66Å; R37-D480 IonicContact NH2-OD2 3.81Å; R37-D480 PolarHBondContact NH2-OD2 3.28Å; V235-D480 HydrophobicContact CB-CB 4.41Å; V235-D480 HydrophobicContact CG1-CB 3.58Å; V235-D480 HydrophobicContact CG2-CB 3.86Å; P477-D480 PolarHBondContact O-N 3.06Å; D480-R482 PolarHBondContact O-N 3.13Å; D480-R482 VanDerWaalsContact OD1-CB 3.23Å; D480-R482 WeakPolarHBondContact OD1-CB 3.47Å; D480-R482 WeakPolarHBondContact OD1-CG 3.48Å; D480-R482 IonicContact OD1-CZ 3.86Å; D480-R482 PolarHBondContact OD1-N 2.93Å; D480-R482 IonicContact OD1-NE 2.7Å; D480-R482 PolarHBondContact OD1-NE 3.32Å; D480-R482 IonicContact OD1-NH2 3.36Å; D480-R482 IonicContact OD2-CZ 3.77Å; D480-R482 IonicContact OD2-NE 3.35Å; D480-R482 IonicContact OD2-NH2 3.59Å; D480-R482 PolarHBondContact OD2-NH2 3.36Å; D480-I483 HydrophobicContact CB-CG1 4.42Å; D480-I483 WeakPolarHBondContact O-CB 3.38Å; D480-I483 PolarHBondContact O-N 2.88Å; D480-V484 PolarHBondContact O-N 2.81Å
481	E	90.5	Very high	93.2	Very high	17 Å²	17	27.1 Å²	27.1	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-53.9	-34.6	-175.1	-60.1	79.3	-178	0	0	111.9	R37 I80 G81 F102 I483 V484 N485	R37-E481 IonicContact NH2-OE2 3.92Å; R37-E481 PolarHBondContact NH2-OE2 3.45Å; I80-E481 HydrophobicContact CG2-CG 4.16Å; I80-E481 VanDerWaalsContact CG2-OE2 3.3Å; I80-E481 WeakPolarHBondContact CG2-OE2 3.44Å; G81-E481 WeakPolarHBondContact CA-OE1 3.24Å; G81-E481 PolarHBondContact N-OE1 3.41Å; G81-E481 PolarHBondContact N-OE2 3.22Å; F102-E481 HydrophobicContact CE2-CB 4.38Å; F102-E481 HydrophobicContact CE2-CG 3.95Å; E481-I483 VanDerWaalsContact C-N 3.35Å; E481-V484 PolarHBondContact O-N 2.71Å; E481-N485 WeakPolarHBondContact O-CB 3.44Å; E481-N485 PolarHBondContact O-N 3.48Å; E481-N485 PolarHBondContact O-ND2 3.15Å
482	R	91.4	Very high	93.7	Very high	46 Å²	46	26 Å²	26	17%	0.174	13%	0.131	C	C	.	.	H	α-helix	trans	-66.3	-39.3	-179.5	-62.9	169.6	-73.6	-175.5	-7.5	111.4	L231 D238 D480 F486	L231-R482 HydrophobicContact CD2-CB 4.43Å; D238-R482 IonicContact OD2-CZ 3.79Å; D238-R482 IonicContact OD2-NH1 3.42Å; D238-R482 PolarHBondContact OD2-NH1 3.38Å; D238-R482 IonicContact OD2-NH2 2.82Å; D480-R482 PolarHBondContact O-N 3.13Å; D480-R482 VanDerWaalsContact OD1-CB 3.23Å; D480-R482 WeakPolarHBondContact OD1-CB 3.47Å; D480-R482 WeakPolarHBondContact OD1-CG 3.48Å; D480-R482 IonicContact OD1-CZ 3.86Å; D480-R482 PolarHBondContact OD1-N 2.93Å; D480-R482 IonicContact OD1-NE 2.7Å; D480-R482 PolarHBondContact OD1-NE 3.32Å; D480-R482 IonicContact OD1-NH2 3.36Å; D480-R482 IonicContact OD2-CZ 3.77Å; D480-R482 IonicContact OD2-NE 3.35Å; D480-R482 IonicContact OD2-NH2 3.59Å; D480-R482 PolarHBondContact OD2-NH2 3.36Å; R482-F486 VanDerWaalsContact O-CB 3.32Å; R482-F486 WeakPolarHBondContact O-CB 3.45Å; R482-F486 PolarHBondContact O-N 2.55Å; R482-F486 VanDerWaalsContact O-N 3.15Å
483	I	95.6	Very high	94	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.9	-49.9	176.2	-62.6	-60.3	0	0	0	109.9	F228 L231 L232 V235 P477 Y478 D480 E481 N485 F486 L487	F228-I483 HydrophobicContact CD2-CD1 4.36Å; F228-I483 HydrophobicContact CE2-CD1 4.07Å; F228-I483 HydrophobicContact CE2-CG2 3.92Å; L231-I483 HydrophobicContact CB-CD1 3.8Å; L232-I483 HydrophobicContact CB-CD1 4.12Å; L232-I483 HydrophobicContact CD1-CD1 4.28Å; V235-I483 HydrophobicContact CG2-CD1 4.27Å; V235-I483 HydrophobicContact CG2-CG1 3.99Å; P477-I483 WeakPolarHBondContact O-CG1 3.25Å; Y478-I483 VanDerWaalsContact O-CG2 3.31Å; Y478-I483 WeakPolarHBondContact O-CG2 3.5Å; D480-I483 HydrophobicContact CB-CG1 4.42Å; D480-I483 WeakPolarHBondContact O-CB 3.38Å; D480-I483 PolarHBondContact O-N 2.88Å; E481-I483 VanDerWaalsContact C-N 3.35Å; I483-N485 PolarHBondContact O-N 2.84Å; I483-F486 PolarHBondContact O-N 3.16Å; I483-L487 HydrophobicContact CG2-CD1 3.72Å; I483-L487 HydrophobicContact CG2-CG 4.15Å; I483-L487 WeakPolarHBondContact O-CB 3.49Å; I483-L487 WeakPolarHBondContact O-CG 3.42Å; I483-L487 PolarHBondContact O-N 3.37Å
484	V	94.5	Very high	94.2	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-48	-178.8	177.7	0	0	0	0	111	F102 L452 D480 E481 F486 L487 V488	F102-V484 HydrophobicContact CE1-CB 4.22Å; F102-V484 HydrophobicContact CE1-CG1 3.72Å; F102-V484 HydrophobicContact CE1-CG2 4.07Å; F102-V484 HydrophobicContact CE2-CB 4.3Å; F102-V484 HydrophobicContact CE2-CG2 4.06Å; F102-V484 HydrophobicContact CZ-CB 3.67Å; F102-V484 HydrophobicContact CZ-CG1 3.55Å; F102-V484 HydrophobicContact CZ-CG2 3.71Å; L452-V484 HydrophobicContact CD1-CG1 4.46Å; L452-V484 HydrophobicContact CD2-CG1 3.63Å; D480-V484 PolarHBondContact O-N 2.81Å; E481-V484 PolarHBondContact O-N 2.71Å; V484-F486 VanDerWaalsContact C-N 3.29Å; V484-F486 PolarHBondContact O-N 3.08Å; V484-L487 PolarHBondContact O-N 3.27Å; V484-V488 HydrophobicContact CG1-CG2 4.18Å; V484-V488 WeakPolarHBondContact O-CB 3.43Å; V484-V488 VanDerWaalsContact O-CG2 3.32Å; V484-V488 WeakPolarHBondContact O-CG2 3.48Å; V484-V488 PolarHBondContact O-N 3.39Å
485	N	91.9	Very high	94.3	Very high	64 Å²	64	30.6 Å²	30.6	34%	0.342	15%	0.152	S	C	.	.	H	α-helix	trans	-62.1	-35.9	179.5	-75.6	-33.9	0	0	0	112.7	E481 I483 K489	E481-N485 WeakPolarHBondContact O-CB 3.44Å; E481-N485 PolarHBondContact O-N 3.48Å; E481-N485 PolarHBondContact O-ND2 3.15Å; I483-N485 PolarHBondContact O-N 2.84Å; N485-K489 WeakPolarHBondContact O-CD 3.25Å; N485-K489 WeakPolarHBondContact O-CG 3.16Å
486	F	94.7	Very high	94.3	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.057	15%	0.152	C	C	.	.	H	α-helix	trans	-69.4	-51.6	174.3	174.3	-102.1	0	0	0	111.1	M215 P218 V224 K227 F228 L231 R482 I483 V484 V488 K489 I490	M215-F486 HydrophobicContact CE-CD2 4.19Å; M215-F486 HydrophobicContact CE-CE2 4.47Å; P218-F486 HydrophobicContact CG-CE2 4.2Å; V224-F486 HydrophobicContact CG1-CE1 4.42Å; V224-F486 HydrophobicContact CG1-CZ 4.07Å; K227-F486 HydrophobicContact CB-CE2 3.99Å; K227-F486 HydrophobicContact CB-CZ 4.02Å; K227-F486 HydrophobicContact CG-CD2 4.11Å; K227-F486 HydrophobicContact CG-CE2 3.55Å; K227-F486 HydrophobicContact CG-CZ 4.06Å; F228-F486 HydrophobicContact CB-CD1 4.48Å; F228-F486 HydrophobicContact CB-CE1 3.75Å; F228-F486 HydrophobicContact CB-CZ 4.41Å; F228-F486 HydrophobicContact CD2-CD1 4.11Å; F228-F486 HydrophobicContact CD2-CE1 4.15Å; F228-F486 HydrophobicContact CG-CE1 4.3Å; L231-F486 HydrophobicContact CD1-CB 3.55Å; L231-F486 HydrophobicContact CD1-CD1 4.08Å; L231-F486 HydrophobicContact CD1-CD2 3.8Å; L231-F486 HydrophobicContact CD1-CG 3.52Å; R482-F486 VanDerWaalsContact O-CB 3.32Å; R482-F486 WeakPolarHBondContact O-CB 3.45Å; R482-F486 PolarHBondContact O-N 2.55Å; R482-F486 VanDerWaalsContact O-N 3.15Å; I483-F486 PolarHBondContact O-N 3.16Å; V484-F486 VanDerWaalsContact C-N 3.29Å; V484-F486 PolarHBondContact O-N 3.08Å; F486-V488 VanDerWaalsContact C-N 3.33Å; F486-V488 PolarHBondContact O-N 3.04Å; F486-K489 PolarHBondContact O-N 2.93Å; F486-K489 VanDerWaalsContact O-N 3.09Å; F486-I490 HydrophobicContact CD1-CG2 4.49Å; F486-I490 HydrophobicContact CD2-CG2 4.43Å; F486-I490 HydrophobicContact CE1-CD1 4.49Å; F486-I490 HydrophobicContact CE1-CG2 4Å; F486-I490 HydrophobicContact CE2-CG2 3.95Å; F486-I490 HydrophobicContact CZ-CG2 3.73Å; F486-I490 PolarHBondContact O-N 3.1Å
487	L	95.5	Very high	94.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-31.9	-175.4	-69.2	-175.8	0	0	0	112.9	F228 I422 Q425 L426 I483 V484 K489 I490 K495 L509	F228-L487 HydrophobicContact CD2-CD2 4.05Å; F228-L487 HydrophobicContact CE2-CD1 4.05Å; F228-L487 HydrophobicContact CE2-CD2 4.06Å; F228-L487 HydrophobicContact CE2-CG 4.24Å; F228-L487 HydrophobicContact CZ-CD1 4.44Å; I422-L487 HydrophobicContact CD1-CD1 3.82Å; Q425-L487 HydrophobicContact CB-CD1 3.9Å; L426-L487 HydrophobicContact CD2-CD1 4.12Å; L426-L487 HydrophobicContact CD2-CD2 3.77Å; L426-L487 HydrophobicContact CG-CD1 4.14Å; I483-L487 HydrophobicContact CG2-CD1 3.72Å; I483-L487 HydrophobicContact CG2-CG 4.15Å; I483-L487 WeakPolarHBondContact O-CB 3.49Å; I483-L487 WeakPolarHBondContact O-CG 3.42Å; I483-L487 PolarHBondContact O-N 3.37Å; V484-L487 PolarHBondContact O-N 3.27Å; L487-K489 VanDerWaalsContact C-N 3.25Å; L487-K489 PolarHBondContact O-N 2.91Å; L487-I490 HydrophobicContact CD2-CD1 3.72Å; L487-I490 WeakPolarHBondContact O-CG1 3.32Å; L487-K495 WeakPolarHBondContact O-CE 3.37Å; L487-K495 PolarHBondContact O-NZ 2.67Å; L487-L509 HydrophobicContact CD2-CD2 3.87Å
488	V	92.2	Very high	94.1	Very high	82 Å²	82	32 Å²	32	50%	0.497	16%	0.161	S	C	.	.	H	α-helix	trans	-63.8	-31.8	174.4	167.2	0	0	0	0	112	L452 V484 F486	L452-V488 HydrophobicContact CD2-CG2 4.15Å; V484-V488 HydrophobicContact CG1-CG2 4.18Å; V484-V488 WeakPolarHBondContact O-CB 3.43Å; V484-V488 VanDerWaalsContact O-CG2 3.32Å; V484-V488 WeakPolarHBondContact O-CG2 3.48Å; V484-V488 PolarHBondContact O-N 3.39Å; F486-V488 VanDerWaalsContact C-N 3.33Å; F486-V488 PolarHBondContact O-N 3.04Å
489	K	91.6	Very high	93.9	Very high	117 Å²	117	39.1 Å²	39.1	51%	0.509	20%	0.199	S	C	.	.	H	α-helix	trans	-86.1	-22.4	-174.7	-68.6	175.6	-176.9	-179.9	0	114.5	N485 F486 L487	N485-K489 WeakPolarHBondContact O-CD 3.25Å; N485-K489 WeakPolarHBondContact O-CG 3.16Å; F486-K489 PolarHBondContact O-N 2.93Å; F486-K489 VanDerWaalsContact O-N 3.09Å; L487-K489 VanDerWaalsContact C-N 3.25Å; L487-K489 PolarHBondContact O-N 2.91Å
490	I	93.4	Very high	93.7	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.051	21%	0.213	C	C	.	.	S	Bend	trans	-76.5	145.7	-178.3	66.1	172.8	0	0	0	112	V224 F486 L487 F494 K495 L509	V224-I490 HydrophobicContact CG1-CD1 3.99Å; V224-I490 HydrophobicContact CG1-CG2 4.22Å; F486-I490 HydrophobicContact CD1-CG2 4.49Å; F486-I490 HydrophobicContact CD2-CG2 4.43Å; F486-I490 HydrophobicContact CE1-CD1 4.49Å; F486-I490 HydrophobicContact CE1-CG2 4Å; F486-I490 HydrophobicContact CE2-CG2 3.95Å; F486-I490 HydrophobicContact CZ-CG2 3.73Å; F486-I490 PolarHBondContact O-N 3.1Å; L487-I490 HydrophobicContact CD2-CD1 3.72Å; L487-I490 WeakPolarHBondContact O-CG1 3.32Å; I490-F494 HydrophobicContact CB-CD2 4.45Å; I490-F494 HydrophobicContact CD1-CB 4.27Å; I490-K495 HydrophobicContact CD1-CG 4.15Å; I490-K495 HydrophobicContact CG1-CG 4.33Å; I490-L509 HydrophobicContact CD1-CD2 3.69Å
491	P	92.8	Very high	93.5	Very high	45 Å²	45	44.4 Å²	44.4	29%	0.292	23%	0.231	S	C	.	.			trans	-52.4	146.9	172.3	-29.9	35.1	0	0	0	114.3	E493 F494	P491-E493 VanDerWaalsContact C-N 3.26Å; P491-E493 HydrophobicContact CB-CG 3.95Å; P491-E493 PolarHBondContact O-N 2.57Å; P491-F494 HydrophobicContact CB-CD2 3.9Å; P491-F494 HydrophobicContact CB-CE2 4.01Å; P491-F494 HydrophobicContact CG-CD2 4.02Å; P491-F494 HydrophobicContact CG-CE2 3.77Å; P491-F494 PolarHBondContact O-N 2.83Å
492	L	94.6	Very high	93.2	Very high	21 Å²	21	51.1 Å²	51.1	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-31.6	-177.3	-176	63.3	0	0	0	112.8	Y436 P441 L444 L448 F494 K495 I496	Y436-L492 HydrophobicContact CD2-CD2 4.25Å; Y436-L492 HydrophobicContact CE2-CD2 4.07Å; P441-L492 HydrophobicContact CB-CD2 3.67Å; P441-L492 WeakPolarHBondContact O-CD2 3.35Å; L444-L492 HydrophobicContact CB-CD2 4.44Å; L444-L492 HydrophobicContact CD2-CD1 4.02Å; L444-L492 HydrophobicContact CD2-CD2 4.26Å; L444-L492 HydrophobicContact CG-CD1 4.35Å; L448-L492 HydrophobicContact CD1-CD1 4Å; L492-F494 PolarHBondContact O-N 3.21Å; L492-K495 HydrophobicContact CD1-CB 4.36Å; L492-K495 HydrophobicContact CD1-CD 4.12Å; L492-K495 WeakPolarHBondContact O-CA 3.28Å; L492-K495 WeakPolarHBondContact O-CB 3.44Å; L492-K495 PolarHBondContact O-N 3.08Å; L492-I496 HydrophobicContact CD1-CG2 4.24Å; L492-I496 HydrophobicContact CG-CG2 4.2Å; L492-I496 PolarHBondContact O-N 2.57Å; L492-I496 VanDerWaalsContact O-N 3.16Å
493	E	93.9	Very high	92.8	Very high	131 Å²	131	49.2 Å²	49.2	61%	0.612	26%	0.255	S	S	*	.	H	α-helix	trans	-60	-24.4	177.6	65.2	-137.1	-131.4	0	0	114.2	P491	P491-E493 VanDerWaalsContact C-N 3.26Å; P491-E493 HydrophobicContact CB-CG 3.95Å; P491-E493 PolarHBondContact O-N 2.57Å
494	F	95.3	Very high	92.5	Very high	20 Å²	20	54.1 Å²	54.1	9%	0.088	28%	0.277	C	S	.	.	H	α-helix	trans	-80	-22.8	173.6	-59.9	-49.2	0	0	0	112.1	L221 V224 I490 P491 L492 L509	L221-F494 HydrophobicContact CB-CD1 4.21Å; L221-F494 HydrophobicContact CB-CE1 3.94Å; L221-F494 HydrophobicContact CD1-CD1 3.79Å; L221-F494 HydrophobicContact CD1-CE1 4.4Å; V224-F494 HydrophobicContact CG1-CB 4.24Å; V224-F494 HydrophobicContact CG1-CD2 4.38Å; V224-F494 HydrophobicContact CG1-CG 4.32Å; V224-F494 HydrophobicContact CG2-CD2 3.75Å; V224-F494 HydrophobicContact CG2-CE2 3.72Å; V224-F494 HydrophobicContact CG2-CG 4.18Å; V224-F494 HydrophobicContact CG2-CZ 4.14Å; I490-F494 HydrophobicContact CB-CD2 4.45Å; I490-F494 HydrophobicContact CD1-CB 4.27Å; P491-F494 HydrophobicContact CB-CD2 3.9Å; P491-F494 HydrophobicContact CB-CE2 4.01Å; P491-F494 HydrophobicContact CG-CD2 4.02Å; P491-F494 HydrophobicContact CG-CE2 3.77Å; P491-F494 PolarHBondContact O-N 2.83Å; L492-F494 PolarHBondContact O-N 3.21Å; F494-L509 VanDerWaalsContact O-CB 3.28Å; F494-L509 WeakPolarHBondContact O-CB 3.27Å; F494-L509 PolarHBondContact O-N 3.04Å; F494-L509 VanDerWaalsContact O-N 3.08Å
495	K	96.3	Very high	92.4	Very high	21 Å²	21	53.9 Å²	53.9	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-84.1	-40	-177.9	-55.9	-179.4	176.6	-170.6	0	112.1	Q425 L426 L487 I490 L492 F508	Q425-K495 WeakPolarHBondContact O-CD 3.26Å; L426-K495 HydrophobicContact CD2-CB 4.12Å; L426-K495 HydrophobicContact CD2-CG 3.87Å; L487-K495 WeakPolarHBondContact O-CE 3.37Å; L487-K495 PolarHBondContact O-NZ 2.67Å; I490-K495 HydrophobicContact CD1-CG 4.15Å; I490-K495 HydrophobicContact CG1-CG 4.33Å; L492-K495 HydrophobicContact CD1-CB 4.36Å; L492-K495 HydrophobicContact CD1-CD 4.12Å; L492-K495 WeakPolarHBondContact O-CA 3.28Å; L492-K495 WeakPolarHBondContact O-CB 3.44Å; L492-K495 PolarHBondContact O-N 3.08Å; K495-F508 PolarHBondContact O-N 2.81Å
496	I	96	Very high	92.6	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	26%	0.261	C	S	.	.			trans	-140.1	140	-177	-169.6	168.6	0	0	0	111.5	A427 L433 Y436 L444 L492 G505	A427-I496 HydrophobicContact CB-CB 3.99Å; A427-I496 HydrophobicContact CB-CD1 3.98Å; A427-I496 HydrophobicContact CB-CG1 4.45Å; A427-I496 HydrophobicContact CB-CG2 4.47Å; L433-I496 HydrophobicContact CB-CD1 4.29Å; L433-I496 HydrophobicContact CD1-CD1 4.1Å; Y436-I496 HydrophobicContact CD2-CG2 4.39Å; L444-I496 HydrophobicContact CD2-CD1 4.17Å; L444-I496 HydrophobicContact CD2-CG2 3.86Å; L492-I496 HydrophobicContact CD1-CG2 4.24Å; L492-I496 HydrophobicContact CG-CG2 4.2Å; L492-I496 PolarHBondContact O-N 2.57Å; L492-I496 VanDerWaalsContact O-N 3.16Å; I496-G505 WeakPolarHBondContact CA-O 3.24Å; I496-G505 WeakPolarHBondContact CG1-O 3.24Å
497	N	94.9	Very high	92.7	Very high	43 Å²	43	50.8 Å²	50.8	23%	0.23	26%	0.26	C	S	.	.			trans	-113.5	103.1	167.4	-174.9	-27.1	0	0	0	109.8	D499 L500 G505 F508	N497-D499 VanDerWaalsContact C-N 3.28Å; N497-D499 PolarHBondContact O-N 2.99Å; N497-D499 PolarHBondContact OD1-N 3.17Å; N497-L500 HydrophobicContact CB-CD1 3.97Å; N497-L500 HydrophobicContact CB-CG 4.17Å; N497-L500 PolarHBondContact O-N 3.11Å; N497-G505 PolarHBondContact N-O 3.28Å; N497-G505 WeakPolarHBondContact O-CA 3.28Å; N497-F508 HydrophobicContact CB-CD2 4Å; N497-F508 HydrophobicContact CB-CE2 4.35Å; N497-F508 HydrophobicContact CB-CG 4.17Å
498	P	93.4	Very high	92.8	Very high	16 Å²	16	52.1 Å²	52.1	10%	0.104	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.1	-172.5	33.5	-40.1	0	0	0	114.6	L433 Y436 K437 L500	L433-P498 HydrophobicContact CD1-CB 4Å; Y436-P498 HydrophobicContact CD1-CB 3.53Å; Y436-P498 HydrophobicContact CD1-CG 3.94Å; Y436-P498 HydrophobicContact CE1-CB 3.54Å; Y436-P498 HydrophobicContact CE1-CG 3.39Å; Y436-P498 HydrophobicContact CG-CB 4.28Å; K437-P498 WeakPolarHBondContact CE-O 3.31Å; K437-P498 PolarHBondContact NZ-O 2.76Å; P498-L500 VanDerWaalsContact C-N 3.33Å
499	D	93.8	Very high	93	Very high	148 Å²	148	48.2 Å²	48.2	79%	0.791	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-18	-178.1	-59	-37.9	0	0	0	111.7	N497	N497-D499 VanDerWaalsContact C-N 3.28Å; N497-D499 PolarHBondContact O-N 2.99Å; N497-D499 PolarHBondContact OD1-N 3.17Å
500	L	92.5	Very high	93.3	Very high	55 Å²	55	42.7 Å²	42.7	29%	0.288	22%	0.218	S	C	.	.	S	Bend	trans	-78.8	154.5	174.1	-65.1	-179.5	0	0	0	112	N497 P498 Q504 F508	N497-L500 HydrophobicContact CB-CD1 3.97Å; N497-L500 HydrophobicContact CB-CG 4.17Å; N497-L500 PolarHBondContact O-N 3.11Å; P498-L500 VanDerWaalsContact C-N 3.33Å; L500-Q504 HydrophobicContact CB-CB 4.16Å; L500-Q504 HydrophobicContact CD1-CB 4.45Å; L500-F508 HydrophobicContact CD1-CD2 4.24Å; L500-F508 HydrophobicContact CD1-CE2 4Å
501	P	88.2	Confident	93.6	Very high	75 Å²	75	42.8 Å²	42.8	49%	0.487	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-58.8	156.5	173.4	-23.8	34.3	0	0	0	113	G503 Q504 G505	P501-G503 PolarHBondContact O-N 2.96Å; P501-Q504 WeakPolarHBondContact O-CB 3.35Å; P501-Q504 PolarHBondContact O-N 3.03Å; P501-G505 PolarHBondContact O-N 3.49Å
502	K	83.8	Confident	93.8	Very high	157 Å²	157	43.1 Å²	43.1	68%	0.683	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	131.5	172.3	-175.2	-179.9	-180	176.8	0	110.4	E506	K502-E506 WeakPolarHBondContact CG-OE1 3.34Å
503	G	83.4	Confident	93.9	Very high	6 Å²	6	42.1 Å²	42.1	6%	0.062	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	1.8	-175.5	0	0	0	0	0	114.6	P501 E506 R511	P501-G503 PolarHBondContact O-N 2.96Å; G503-E506 WeakPolarHBondContact CA-OE2 3.24Å; G503-E506 PolarHBondContact N-OE2 3.43Å; G503-R511 PolarHBondContact O-NH1 3.44Å; G503-R511 VanDerWaalsContact O-NH1 3.16Å; G503-R511 PolarHBondContact O-NH2 3.35Å
504	Q	90.3	Very high	94.2	Very high	103 Å²	103	35.9 Å²	35.9	48%	0.481	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-38.2	176	-58.6	-175.8	34.7	0	0	112	L500 P501 R511	L500-Q504 HydrophobicContact CB-CB 4.16Å; L500-Q504 HydrophobicContact CD1-CB 4.45Å; P501-Q504 WeakPolarHBondContact O-CB 3.35Å; P501-Q504 PolarHBondContact O-N 3.03Å; Q504-R511 VanDerWaalsContact O-CD 3.28Å; Q504-R511 WeakPolarHBondContact O-CD 3.33Å; Q504-R511 PolarHBondContact O-NE 2.96Å
505	G	92.2	Very high	94.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-76	-34.2	-179	0	0	0	0	0	114.5	I496 N497 P501	I496-G505 WeakPolarHBondContact CA-O 3.24Å; I496-G505 WeakPolarHBondContact CG1-O 3.24Å; N497-G505 PolarHBondContact N-O 3.28Å; N497-G505 WeakPolarHBondContact O-CA 3.28Å; P501-G505 PolarHBondContact O-N 3.49Å
506	E	95.6	Very high	94.4	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.037	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	143.7	178.2	-53.9	94.7	147.6	0	0	111.2	A427 L433 K502 G503 F508 R511	A427-E506 WeakPolarHBondContact O-CB 3.39Å; L433-E506 HydrophobicContact CB-CG 4.48Å; K502-E506 WeakPolarHBondContact CG-OE1 3.34Å; G503-E506 WeakPolarHBondContact CA-OE2 3.24Å; G503-E506 PolarHBondContact N-OE2 3.43Å; E506-F508 VanDerWaalsContact C-N 3.28Å; E506-F508 PolarHBondContact O-N 3.33Å; E506-R511 PolarHBondContact O-NE 3.44Å
507	K	97.1	Very high	94.5	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.017	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	42.4	-175.6	-43.2	-175.6	-167.9	-173.7	0	113.3	L275 D276 D423 L426 L509 L510 R511	L275-K507 HydrophobicContact CD2-CB 4.23Å; L275-K507 HydrophobicContact CD2-CD 4.2Å; D276-K507 IonicContact OD1-NZ 3.29Å; D276-K507 PolarHBondContact OD1-NZ 2.79Å; D276-K507 IonicContact OD2-NZ 3.78Å; D276-K507 PolarHBondContact OD2-NZ 3.03Å; D423-K507 WeakPolarHBondContact OD1-CE 3.38Å; D423-K507 IonicContact OD1-NZ 3.66Å; D423-K507 PolarHBondContact OD1-NZ 2.9Å; D423-K507 IonicContact OD2-NZ 3.51Å; D423-K507 PolarHBondContact OD2-NZ 3.46Å; L426-K507 HydrophobicContact CB-CB 4.3Å; L426-K507 HydrophobicContact CB-CG 4.39Å; L426-K507 VanDerWaalsContact O-CA 3.23Å; L426-K507 WeakPolarHBondContact O-CA 3.31Å; L426-K507 PolarHBondContact O-N 3.45Å; K507-L509 VanDerWaalsContact C-N 3.33Å; K507-L509 PolarHBondContact O-N 3.44Å; K507-L510 HydrophobicContact CB-CB 4.12Å; K507-L510 HydrophobicContact CD-CD2 4.16Å; K507-L510 PolarHBondContact O-N 2.77Å; K507-R511 WeakPolarHBondContact O-CG 3.26Å; K507-R511 PolarHBondContact O-N 3.33Å
508	F	96.8	Very high	94.6	Very high	30 Å²	30	43.1 Å²	43.1	13%	0.132	22%	0.22	C	C	.	.	H	α-helix	trans	-53.3	-50.8	-171.9	-173	-115	0	0	0	111.4	L221 K495 N497 L500 E506 L510 R511 Q512	L221-F508 HydrophobicContact CD1-CD1 4.42Å; L221-F508 HydrophobicContact CD1-CE1 4.07Å; L221-F508 HydrophobicContact CD2-CE1 3.84Å; L221-F508 HydrophobicContact CD2-CZ 4.31Å; K495-F508 PolarHBondContact O-N 2.81Å; N497-F508 HydrophobicContact CB-CD2 4Å; N497-F508 HydrophobicContact CB-CE2 4.35Å; N497-F508 HydrophobicContact CB-CG 4.17Å; L500-F508 HydrophobicContact CD1-CD2 4.24Å; L500-F508 HydrophobicContact CD1-CE2 4Å; E506-F508 VanDerWaalsContact C-N 3.28Å; E506-F508 PolarHBondContact O-N 3.33Å; F508-L510 PolarHBondContact O-N 2.77Å; F508-R511 PolarHBondContact O-N 3.38Å; F508-Q512 HydrophobicContact CE1-CG 4.42Å; F508-Q512 HydrophobicContact CZ-CG 4.35Å; F508-Q512 WeakPolarHBondContact O-CG 3.46Å; F508-Q512 PolarHBondContact O-N 2.86Å; F508-Q512 VanDerWaalsContact O-N 3.13Å
509	L	97.7	Very high	94.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.3	-48.2	175.4	-178.9	57.4	0	0	0	113.8	V224 Q225 F228 L426 L487 I490 F494 K507 R511 Q512 V513	V224-L509 HydrophobicContact CG1-CD1 3.82Å; V224-L509 HydrophobicContact CG1-CD2 3.9Å; Q225-L509 HydrophobicContact CB-CD1 4.34Å; Q225-L509 HydrophobicContact CG-CD1 3.83Å; F228-L509 HydrophobicContact CB-CD1 4.43Å; F228-L509 HydrophobicContact CB-CD2 4.04Å; F228-L509 HydrophobicContact CB-CG 4.4Å; F228-L509 HydrophobicContact CD1-CD1 4.37Å; F228-L509 HydrophobicContact CD1-CD2 3.76Å; F228-L509 HydrophobicContact CD1-CG 3.69Å; F228-L509 HydrophobicContact CE1-CD2 4.41Å; F228-L509 HydrophobicContact CE1-CG 4.33Å; F228-L509 HydrophobicContact CG-CD2 3.86Å; F228-L509 HydrophobicContact CG-CG 4.23Å; L426-L509 HydrophobicContact CD1-CB 4.36Å; L426-L509 HydrophobicContact CD2-CB 4.35Å; L426-L509 HydrophobicContact CD2-CD2 4.31Å; L487-L509 HydrophobicContact CD2-CD2 3.87Å; I490-L509 HydrophobicContact CD1-CD2 3.69Å; F494-L509 VanDerWaalsContact O-CB 3.28Å; F494-L509 WeakPolarHBondContact O-CB 3.27Å; F494-L509 PolarHBondContact O-N 3.04Å; F494-L509 VanDerWaalsContact O-N 3.08Å; K507-L509 VanDerWaalsContact C-N 3.33Å; K507-L509 PolarHBondContact O-N 3.44Å; L509-R511 VanDerWaalsContact C-N 3.33Å; L509-R511 PolarHBondContact O-N 3.03Å; L509-Q512 PolarHBondContact O-N 3.01Å; L509-V513 HydrophobicContact CD1-CG2 4.48Å; L509-V513 PolarHBondContact O-N 3.05Å
510	L	98.3	Very high	95	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.9	-35.4	-177.6	-172.4	66	0	0	0	111.9	F228 L275 D276 V279 I422 L426 Y478 K507 F508 Q512 V513 A514	F228-L510 HydrophobicContact CE1-CD1 3.9Å; F228-L510 HydrophobicContact CZ-CD1 4.45Å; L275-L510 HydrophobicContact CD1-CG 4.25Å; L275-L510 HydrophobicContact CD2-CB 4.23Å; L275-L510 HydrophobicContact CD2-CD2 3.92Å; L275-L510 HydrophobicContact CD2-CG 4.02Å; L275-L510 HydrophobicContact CG-CD2 3.75Å; L275-L510 HydrophobicContact CG-CG 3.89Å; D276-L510 WeakPolarHBondContact OD1-CD2 3.43Å; V279-L510 HydrophobicContact CB-CD1 4.29Å; V279-L510 HydrophobicContact CG1-CD1 4.04Å; V279-L510 HydrophobicContact CG2-CD1 4.03Å; V279-L510 HydrophobicContact CG2-CG 4.39Å; I422-L510 HydrophobicContact CG1-CD2 3.94Å; I422-L510 HydrophobicContact CG2-CD2 4.19Å; L426-L510 HydrophobicContact CD1-CB 3.78Å; Y478-L510 HydrophobicContact CE1-CD1 4.11Å; K507-L510 HydrophobicContact CB-CB 4.12Å; K507-L510 HydrophobicContact CD-CD2 4.16Å; K507-L510 PolarHBondContact O-N 2.77Å; F508-L510 PolarHBondContact O-N 2.77Å; L510-Q512 VanDerWaalsContact C-N 3.3Å; L510-Q512 PolarHBondContact O-N 3Å; L510-V513 PolarHBondContact O-N 3.31Å; L510-A514 WeakPolarHBondContact O-CB 3.32Å; L510-A514 PolarHBondContact O-N 3.13Å
511	R	97.8	Very high	95.3	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.045	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-41.2	173.6	-68.7	-177.9	-170.1	-71.8	-6.1	111.5	L275 G503 Q504 E506 K507 F508 L509 A514 L515 S523 Q525	L275-R511 HydrophobicContact CD2-CB 4.49Å; L275-R511 HydrophobicContact CD2-CG 3.51Å; G503-R511 PolarHBondContact O-NH1 3.44Å; G503-R511 VanDerWaalsContact O-NH1 3.16Å; G503-R511 PolarHBondContact O-NH2 3.35Å; Q504-R511 VanDerWaalsContact O-CD 3.28Å; Q504-R511 WeakPolarHBondContact O-CD 3.33Å; Q504-R511 PolarHBondContact O-NE 2.96Å; E506-R511 PolarHBondContact O-NE 3.44Å; K507-R511 WeakPolarHBondContact O-CG 3.26Å; K507-R511 PolarHBondContact O-N 3.33Å; F508-R511 PolarHBondContact O-N 3.38Å; L509-R511 VanDerWaalsContact C-N 3.33Å; L509-R511 PolarHBondContact O-N 3.03Å; R511-A514 WeakPolarHBondContact O-CB 3.27Å; R511-A514 PolarHBondContact O-N 3.39Å; R511-L515 WeakPolarHBondContact O-CG 2.98Å; R511-L515 PolarHBondContact O-N 2.7Å; R511-S523 WeakPolarHBondContact CG-O 3.45Å; R511-S523 PolarHBondContact NH1-O 3.43Å; R511-Q525 PolarHBondContact NH1-O 3.48Å; R511-Q525 PolarHBondContact NH2-O 2.84Å
512	Q	97.2	Very high	95.7	Very high	52 Å²	52	36 Å²	36	24%	0.243	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-41.5	177.3	-60.9	-59.4	-46.4	0	0	112	Q225 F508 L509 L510 A514 L515 M516	Q225-Q512 HydrophobicContact CG-CB 3.88Å; Q225-Q512 VanDerWaalsContact NE2-CG 3.26Å; F508-Q512 HydrophobicContact CE1-CG 4.42Å; F508-Q512 HydrophobicContact CZ-CG 4.35Å; F508-Q512 WeakPolarHBondContact O-CG 3.46Å; F508-Q512 PolarHBondContact O-N 2.86Å; F508-Q512 VanDerWaalsContact O-N 3.13Å; L509-Q512 PolarHBondContact O-N 3.01Å; L510-Q512 VanDerWaalsContact C-N 3.3Å; L510-Q512 PolarHBondContact O-N 3Å; Q512-A514 VanDerWaalsContact C-N 3.32Å; Q512-A514 PolarHBondContact O-N 2.94Å; Q512-L515 WeakPolarHBondContact O-CB 3.47Å; Q512-L515 PolarHBondContact O-N 3.35Å; Q512-L515 VanDerWaalsContact O-N 3.16Å; Q512-M516 WeakPolarHBondContact O-CG 3.33Å; Q512-M516 PolarHBondContact O-N 2.91Å
513	V	98.2	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-39.6	173.4	168.6	0	0	0	0	111.5	Q225 F228 L229 L509 L510 L515 M516 L517	Q225-V513 HydrophobicContact CB-CG2 4.48Å; F228-V513 HydrophobicContact CD1-CB 4.49Å; F228-V513 HydrophobicContact CD1-CG2 3.77Å; L229-V513 HydrophobicContact CB-CG1 4.12Å; L229-V513 HydrophobicContact CB-CG2 4.36Å; L229-V513 HydrophobicContact CD1-CG1 3.95Å; L229-V513 HydrophobicContact CG-CG1 4.5Å; L509-V513 HydrophobicContact CD1-CG2 4.48Å; L509-V513 PolarHBondContact O-N 3.05Å; L510-V513 PolarHBondContact O-N 3.31Å; V513-L515 VanDerWaalsContact C-N 3.29Å; V513-L515 PolarHBondContact O-N 3.01Å; V513-M516 WeakPolarHBondContact O-CB 3.39Å; V513-M516 PolarHBondContact O-N 3.23Å; V513-M516 VanDerWaalsContact O-N 3.11Å; V513-L517 HydrophobicContact CG1-CD1 4.2Å; V513-L517 WeakPolarHBondContact O-CG 3.19Å; V513-L517 PolarHBondContact O-N 3.19Å
514	A	98.4	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-40.4	173.4	0	0	0	0	0	111.9	L275 V279 L510 R511 Q512 L517 N518 L519	L275-A514 HydrophobicContact CD1-CB 3.45Å; L275-A514 VanDerWaalsContact CD1-CB 3.45Å; V279-A514 HydrophobicContact CG2-CB 3.75Å; L510-A514 WeakPolarHBondContact O-CB 3.32Å; L510-A514 PolarHBondContact O-N 3.13Å; R511-A514 WeakPolarHBondContact O-CB 3.27Å; R511-A514 PolarHBondContact O-N 3.39Å; Q512-A514 VanDerWaalsContact C-N 3.32Å; Q512-A514 PolarHBondContact O-N 2.94Å; A514-L517 CarbonylContact O-C 3.51Å; A514-L517 PolarHBondContact O-N 2.86Å; A514-L517 VanDerWaalsContact O-N 3.16Å; A514-N518 PolarHBondContact O-N 3Å; A514-L519 HydrophobicContact CB-CB 4.12Å; A514-L519 HydrophobicContact CB-CD1 4.42Å; A514-L519 WeakPolarHBondContact O-CA 3.27Å; A514-L519 WeakPolarHBondContact O-CB 3.49Å; A514-L519 PolarHBondContact O-N 2.95Å
515	L	97.9	Very high	97.1	Very high	64 Å²	64	31.7 Å²	31.7	34%	0.335	15%	0.152	S	C	.	.	H	α-helix	trans	-64	-39.2	173.4	-68.6	169.8	0	0	0	112.4	R511 Q512 V513 L517 N518 S523	R511-L515 WeakPolarHBondContact O-CG 2.98Å; R511-L515 PolarHBondContact O-N 2.7Å; Q512-L515 WeakPolarHBondContact O-CB 3.47Å; Q512-L515 PolarHBondContact O-N 3.35Å; Q512-L515 VanDerWaalsContact O-N 3.16Å; V513-L515 VanDerWaalsContact C-N 3.29Å; V513-L515 PolarHBondContact O-N 3.01Å; L515-L517 PolarHBondContact O-N 3.21Å; L515-N518 WeakPolarHBondContact O-CA 3.39Å; L515-N518 PolarHBondContact O-N 2.95Å; L515-S523 VanDerWaalsContact CD2-OG 3.28Å; L515-S523 WeakPolarHBondContact CD2-OG 3.48Å
516	M	98	Very high	97.2	Very high	68 Å²	68	34.6 Å²	34.6	34%	0.335	17%	0.171	S	C	.	.	H	α-helix	trans	-63.4	-29.3	173.3	-66.9	174.8	66.4	0	0	112.8	Q225 Q226 L229 Q512 V513 N518	Q225-M516 HydrophobicContact CB-SD 3.7Å; Q225-M516 HydrophobicContact CG-SD 4.46Å; Q226-M516 VanDerWaalsContact OE1-CE 3.25Å; L229-M516 HydrophobicContact CD2-CB 4.45Å; L229-M516 HydrophobicContact CD2-CE 3.93Å; Q512-M516 WeakPolarHBondContact O-CG 3.33Å; Q512-M516 PolarHBondContact O-N 2.91Å; V513-M516 WeakPolarHBondContact O-CB 3.39Å; V513-M516 PolarHBondContact O-N 3.23Å; V513-M516 VanDerWaalsContact O-N 3.11Å; M516-N518 PolarHBondContact O-N 3.5Å
517	L	98.1	Very high	97.2	Very high	9 Å²	9	38 Å²	38	5%	0.047	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	6.6	172.8	-65.4	175	0	0	0	113.1	L229 V279 A282 L283 V513 A514 L515 L519	L229-L517 HydrophobicContact CD1-CD1 4.29Å; L229-L517 HydrophobicContact CD1-CD2 3.82Å; L229-L517 HydrophobicContact CD1-CG 4.2Å; L229-L517 HydrophobicContact CD2-CD2 4.47Å; V279-L517 HydrophobicContact CB-CD1 4.48Å; V279-L517 HydrophobicContact CG1-CD1 3.92Å; V279-L517 HydrophobicContact CG2-CD1 4.45Å; A282-L517 HydrophobicContact CB-CD1 4.37Å; L283-L517 HydrophobicContact CD2-CD1 4.29Å; L283-L517 HydrophobicContact CD2-CD2 4Å; L283-L517 HydrophobicContact CG-CD1 4.21Å; V513-L517 HydrophobicContact CG1-CD1 4.2Å; V513-L517 WeakPolarHBondContact O-CG 3.19Å; V513-L517 PolarHBondContact O-N 3.19Å; A514-L517 CarbonylContact O-C 3.51Å; A514-L517 PolarHBondContact O-N 2.86Å; A514-L517 VanDerWaalsContact O-N 3.16Å; L515-L517 PolarHBondContact O-N 3.21Å; L517-L519 HydrophobicContact CB-CD1 4.08Å; L517-L519 HydrophobicContact CB-CG 4.17Å; L517-L519 HydrophobicContact CD1-CD1 4.34Å; L517-L519 PolarHBondContact O-N 2.77Å
518	N	98.2	Very high	97	Very high	99 Å²	99	41.7 Å²	41.7	53%	0.529	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	20.5	-175.3	-61.4	-53.8	0	0	0	114.9	L343 A514 L515 M516 N520	L343-N518 HydrophobicContact CD2-CB 3.51Å; A514-N518 PolarHBondContact O-N 3Å; L515-N518 WeakPolarHBondContact O-CA 3.39Å; L515-N518 PolarHBondContact O-N 2.95Å; M516-N518 PolarHBondContact O-N 3.5Å; N518-N520 VanDerWaalsContact C-N 3.32Å; N518-N520 PolarHBondContact O-N 2.91Å; N518-N520 PolarHBondContact O-ND2 2.96Å
519	L	98.1	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.			trans	-82.9	72.6	174	-62.9	168.2	0	0	0	110.7	S278 V279 A282 E339 L340 L343 A514 L517 A522 S523	S278-L519 WeakPolarHBondContact O-CD1 3.48Å; V279-L519 HydrophobicContact CG2-CD1 4.05Å; A282-L519 HydrophobicContact CB-CD1 3.88Å; A282-L519 HydrophobicContact CB-CD2 4.35Å; A282-L519 HydrophobicContact CB-CG 4.36Å; E339-L519 HydrophobicContact CG-CD2 4.13Å; L340-L519 HydrophobicContact CD2-CD2 4.15Å; L343-L519 HydrophobicContact CD1-CD2 3.52Å; L343-L519 HydrophobicContact CD1-CG 4.17Å; A514-L519 HydrophobicContact CB-CB 4.12Å; A514-L519 HydrophobicContact CB-CD1 4.42Å; A514-L519 WeakPolarHBondContact O-CA 3.27Å; A514-L519 WeakPolarHBondContact O-CB 3.49Å; A514-L519 PolarHBondContact O-N 2.95Å; L517-L519 HydrophobicContact CB-CD1 4.08Å; L517-L519 HydrophobicContact CB-CG 4.17Å; L517-L519 HydrophobicContact CD1-CD1 4.34Å; L517-L519 PolarHBondContact O-N 2.77Å; L519-A522 HydrophobicContact CB-CB 4.15Å; L519-S523 WeakPolarHBondContact O-CB 3.33Å; L519-S523 PolarHBondContact O-N 2.78Å; L519-S523 PolarHBondContact O-OG 3.06Å
520	N	97.4	Very high	96.6	Very high	84 Å²	84	44.6 Å²	44.6	45%	0.449	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-36.6	-174.9	-73.1	-78.5	0	0	0	113.8	E339 N518 S523 K524	E339-N520 WeakPolarHBondContact OE1-CA 3.3Å; E339-N520 PolarHBondContact OE1-N 3.26Å; N518-N520 VanDerWaalsContact C-N 3.32Å; N518-N520 PolarHBondContact O-N 2.91Å; N518-N520 PolarHBondContact O-ND2 2.96Å; N520-S523 PolarHBondContact O-OG 2.92Å; N520-S523 VanDerWaalsContact O-OG 3.06Å; N520-K524 WeakPolarHBondContact O-CD 3.48Å; N520-K524 WeakPolarHBondContact O-CE 3.42Å; N520-K524 WeakPolarHBondContact O-CG 3.27Å
521	Y	97.7	Very high	96.4	Very high	59 Å²	59	45.5 Å²	45.5	23%	0.231	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-49.6	175.9	171.8	-96.3	0	0	0	110.5	T332 K335 S336 E339 S523 K524 Q525	T332-Y521 HydrophobicContact CG2-CE1 4.24Å; K335-Y521 HydrophobicContact CB-CD1 3.99Å; K335-Y521 HydrophobicContact CB-CD2 4.46Å; K335-Y521 HydrophobicContact CB-CE1 3.44Å; K335-Y521 VanDerWaalsContact CB-CE1 3.44Å; K335-Y521 HydrophobicContact CB-CE2 3.96Å; K335-Y521 HydrophobicContact CB-CG 4.48Å; K335-Y521 VanDerWaalsContact CB-CZ 3.42Å; K335-Y521 HydrophobicContact CD-CE1 4.42Å; K335-Y521 HydrophobicContact CD-CE2 3.63Å; K335-Y521 VanDerWaalsContact CD-OH 3.25Å; K335-Y521 WeakPolarHBondContact CD-OH 3.42Å; K335-Y521 HydrophobicContact CG-CE2 4.41Å; S336-Y521 WeakPolarHBondContact OG-CD1 3.36Å; S336-Y521 WeakPolarHBondContact OG-CE1 3.45Å; E339-Y521 WeakPolarHBondContact OE1-CB 3.39Å; E339-Y521 PolarHBondContact OE1-N 3.05Å; E339-Y521 PolarHBondContact OE2-N 3Å; Y521-S523 PolarHBondContact O-N 3.42Å; Y521-K524 PolarHBondContact O-N 2.9Å; Y521-Q525 HydrophobicContact CD1-CG 4.45Å; Y521-Q525 HydrophobicContact CE1-CG 4.02Å; Y521-Q525 PolarHBondContact O-NE2 2.86Å; Y521-Q525 PolarHBondContact OH-OE1 3.06Å
522	A	97.2	Very high	96.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-64.7	-37.5	-177.2	0	0	0	0	0	112.8	S278 E339 L519 K524 Q525	S278-A522 VanDerWaalsContact CB-CB 3.48Å; E339-A522 PolarHBondContact OE2-N 3.33Å; L519-A522 HydrophobicContact CB-CB 4.15Å; A522-K524 PolarHBondContact O-N 3.13Å; A522-K524 VanDerWaalsContact O-N 3.09Å; A522-Q525 PolarHBondContact O-N 3.14Å
523	S	96.9	Very high	96.2	Very high	7 Å²	7	47.4 Å²	47.4	5%	0.049	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-57.7	-22.9	176.4	57.9	0	0	0	0	114.2	R511 L515 L519 N520 Y521	R511-S523 WeakPolarHBondContact CG-O 3.45Å; R511-S523 PolarHBondContact NH1-O 3.43Å; L515-S523 VanDerWaalsContact CD2-OG 3.28Å; L515-S523 WeakPolarHBondContact CD2-OG 3.48Å; L519-S523 WeakPolarHBondContact O-CB 3.33Å; L519-S523 PolarHBondContact O-N 2.78Å; L519-S523 PolarHBondContact O-OG 3.06Å; N520-S523 PolarHBondContact O-OG 2.92Å; N520-S523 VanDerWaalsContact O-OG 3.06Å; Y521-S523 PolarHBondContact O-N 3.42Å
524	K	96.1	Very high	96.1	Very high	144 Å²	144	47.4 Å²	47.4	63%	0.626	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-97.6	-2.2	-178.8	-62.7	174.7	-172.4	173.3	0	113.5	N520 Y521 A522	N520-K524 WeakPolarHBondContact O-CD 3.48Å; N520-K524 WeakPolarHBondContact O-CE 3.42Å; N520-K524 WeakPolarHBondContact O-CG 3.27Å; Y521-K524 PolarHBondContact O-N 2.9Å; A522-K524 PolarHBondContact O-N 3.13Å; A522-K524 VanDerWaalsContact O-N 3.09Å
525	Q	95.2	Very high	95.9	Very high	25 Å²	25	49.4 Å²	49.4	12%	0.117	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-76	126.7	-177.7	-61.4	-50.4	-54	0	0	111.2	T332 R511 Y521 A522	T332-Q525 HydrophobicContact CG2-CG 4.01Å; R511-Q525 PolarHBondContact NH1-O 3.48Å; R511-Q525 PolarHBondContact NH2-O 2.84Å; Y521-Q525 HydrophobicContact CD1-CG 4.45Å; Y521-Q525 HydrophobicContact CE1-CG 4.02Å; Y521-Q525 PolarHBondContact O-NE2 2.86Å; Y521-Q525 PolarHBondContact OH-OE1 3.06Å; A522-Q525 PolarHBondContact O-N 3.14Å
526	P	93.9	Very high	95.7	Very high	61 Å²	61	46.8 Å²	46.8	40%	0.396	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-70.9	149.6	171.5	29.6	-33.9	0	0	0	110.2	R528	P526-R528 PolarHBondContact O-N 3.34Å
527	K	94.6	Very high	95.3	Very high	80 Å²	80	45.6 Å²	45.6	35%	0.348	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-61.7	127.5	174.2	177.7	63.8	178	-167.4	0	109.8	D276 D423	D276-K527 IonicContact OD2-NZ 3.89Å; D423-K527 WeakPolarHBondContact OD1-CD 3.4Å; D423-K527 WeakPolarHBondContact OD1-CE 3.33Å; D423-K527 IonicContact OD1-NZ 3.35Å; D423-K527 WeakPolarHBondContact OD2-CE 3.35Å; D423-K527 IonicContact OD2-NZ 3.13Å; D423-K527 PolarHBondContact OD2-NZ 3.25Å
528	R	93.5	Very high	94.7	Very high	81 Å²	81	50.8 Å²	50.8	31%	0.306	25%	0.249	S	C	.	.			trans	-114.8	136.4	162.6	-84.5	174.3	-94.2	131.8	-11.2	108.2	P328 D329 T332 P526	P328-R528 VanDerWaalsContact CB-NH1 3.32Å; P328-R528 PolarHBondContact O-NH1 2.83Å; D329-R528 IonicContact OD1-NH1 3.64Å; D329-R528 PolarHBondContact OD1-NH1 3.18Å; T332-R528 PolarHBondContact OG1-NH1 3.14Å; T332-R528 PolarHBondContact OG1-NH2 3.43Å; P526-R528 PolarHBondContact O-N 3.34Å
529	A	92.1	Very high	94	Very high	30 Å²	30	46 Å²	46	25%	0.248	22%	0.224	C	C	.	.			trans	-72.7	138.3	173.9	0	0	0	0	0	108.7	Q531 F532 G533	A529-Q531 PolarHBondContact O-N 3.45Å; A529-Q531 VanDerWaalsContact O-N 3.14Å; A529-F532 HydrophobicContact CB-CD2 3.87Å; A529-F532 HydrophobicContact CB-CE2 4.33Å; A529-F532 PolarHBondContact O-N 2.8Å; A529-G533 PolarHBondContact O-N 3.09Å
530	M	93.8	Very high	93.2	Very high	61 Å²	61	48.1 Å²	48.1	30%	0.3	23%	0.233	S	C	.	.	H	α-helix	trans	-52.6	-39.5	-172.7	173.9	170.3	50.8	0	0	112.2	L385 A388 L389 F532 G533 S534	L385-M530 HydrophobicContact CB-CE 4.38Å; L385-M530 HydrophobicContact CD2-CB 4.27Å; L385-M530 HydrophobicContact CD2-CE 3.5Å; L385-M530 VanDerWaalsContact CD2-CE 3.5Å; A388-M530 HydrophobicContact CB-CE 4.45Å; A388-M530 HydrophobicContact CB-CG 3.81Å; A388-M530 HydrophobicContact CB-SD 3.86Å; L389-M530 HydrophobicContact CD1-CE 4.22Å; L389-M530 HydrophobicContact CD2-CE 4.02Å; L389-M530 HydrophobicContact CD2-SD 4.1Å; L389-M530 HydrophobicContact CG-CE 3.81Å; L389-M530 HydrophobicContact CG-SD 4.26Å; M530-F532 PolarHBondContact O-N 3.19Å; M530-G533 PolarHBondContact O-N 3.3Å; M530-S534 WeakPolarHBondContact O-CB 3.36Å; M530-S534 PolarHBondContact O-N 3.29Å; M530-S534 PolarHBondContact O-OG 3.48Å
531	Q	93.8	Very high	92	Very high	19 Å²	19	45.3 Å²	45.3	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-26.8	-179.3	73.2	-82	17.4	0	0	114.2	L381 L385 A529 V536 A537	L381-Q531 HydrophobicContact CD1-CG 4.25Å; L385-Q531 HydrophobicContact CD2-CB 4.47Å; A529-Q531 PolarHBondContact O-N 3.45Å; A529-Q531 VanDerWaalsContact O-N 3.14Å; Q531-V536 HydrophobicContact CB-CG1 3.94Å; Q531-V536 PolarHBondContact O-N 2.88Å; Q531-A537 HydrophobicContact CB-CB 4.06Å; Q531-A537 HydrophobicContact CG-CB 4.09Å; Q531-A537 VanDerWaalsContact O-CB 3.32Å; Q531-A537 WeakPolarHBondContact O-CB 3.44Å; Q531-A537 PolarHBondContact O-N 3.07Å
532	F	94.5	Very high	90	Very high	104 Å²	104	47.9 Å²	47.9	46%	0.456	25%	0.251	S	S	.	.	H	α-helix	trans	-92.6	-36.5	175.8	-58.3	-56.7	0	0	0	111.8	A529 M530 R535 A537	A529-F532 HydrophobicContact CB-CD2 3.87Å; A529-F532 HydrophobicContact CB-CE2 4.33Å; A529-F532 PolarHBondContact O-N 2.8Å; M530-F532 PolarHBondContact O-N 3.19Å; F532-R535 PolarHBondContact O-N 3.29Å; F532-A537 HydrophobicContact CD1-CB 4.19Å; F532-A537 HydrophobicContact CE1-CB 4.2Å
533	G	95.8	Very high	87.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69.7	-41.2	-178.3	0	0	0	0	0	113.5	P328 D329 A529 M530 R535	P328-G533 VanDerWaalsContact CD-O 3.32Å; P328-G533 WeakPolarHBondContact CD-O 3.43Å; D329-G533 WeakPolarHBondContact CB-O 3.29Å; D329-G533 PolarHBondContact N-O 3.47Å; D329-G533 WeakPolarHBondContact OD1-CA 3.43Å; D329-G533 VanDerWaalsContact OD2-C 3.31Å; D329-G533 VanDerWaalsContact OD2-CA 3.24Å; D329-G533 WeakPolarHBondContact OD2-CA 3.47Å; A529-G533 PolarHBondContact O-N 3.09Å; M530-G533 PolarHBondContact O-N 3.3Å; G533-R535 VanDerWaalsContact C-N 3.28Å
534	S	96.5	Very high	85.7	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	30%	0.304	C	S	.	.	S	Bend	trans	-77	-15.3	172.7	74.4	0	0	0	0	113.3	F301 M530 V536	F301-S534 PolarHBondContact N-O 3.13Å; M530-S534 WeakPolarHBondContact O-CB 3.36Å; M530-S534 PolarHBondContact O-N 3.29Å; M530-S534 PolarHBondContact O-OG 3.48Å; S534-V536 VanDerWaalsContact C-N 3.34Å; S534-V536 WeakPolarHBondContact OG-CG1 3.46Å; S534-V536 PolarHBondContact OG-N 2.76Å
535	R	94.7	Very high	83.6	Confident	42 Å²	42	63.3 Å²	63.3	16%	0.158	32%	0.32	C	S	.	.			trans	72	5.8	-171.9	-59.8	178.1	169.6	171.1	-3	117	I322 S323 E326 A327 F532 G533 A537 K538 A539	I322-R535 VanDerWaalsContact CG2-NH1 3.3Å; S323-R535 PolarHBondContact O-NH1 3.11Å; E326-R535 PolarHBondContact O-NH2 3.1Å; A327-R535 HydrophobicContact CB-CG 4.06Å; F532-R535 PolarHBondContact O-N 3.29Å; G533-R535 VanDerWaalsContact C-N 3.28Å; R535-A537 VanDerWaalsContact C-N 3.28Å; R535-A537 PolarHBondContact O-N 2.81Å; R535-K538 PolarHBondContact O-N 2.76Å; R535-K538 VanDerWaalsContact O-N 3.11Å; R535-A539 PolarHBondContact O-N 2.82Å; R535-A539 VanDerWaalsContact O-N 3.13Å
536	V	94.1	Very high	82.1	Confident	9 Å²	9	66.5 Å²	66.5	6%	0.055	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-53.4	-41.6	179.2	65.3	0	0	0	0	113.1	F301 S384 L387 A388 Q531 S534 K538 A539	F301-V536 HydrophobicContact CD1-CB 4.13Å; F301-V536 HydrophobicContact CD1-CG2 4.01Å; F301-V536 HydrophobicContact CD2-CB 3.67Å; F301-V536 HydrophobicContact CD2-CG2 4.34Å; F301-V536 HydrophobicContact CE1-CB 4.12Å; F301-V536 HydrophobicContact CE1-CG2 3.71Å; F301-V536 HydrophobicContact CE2-CB 3.69Å; F301-V536 HydrophobicContact CE2-CG2 4.08Å; F301-V536 HydrophobicContact CG-CB 3.92Å; F301-V536 HydrophobicContact CG-CG2 4.32Å; F301-V536 HydrophobicContact CZ-CB 3.91Å; F301-V536 HydrophobicContact CZ-CG2 3.76Å; S384-V536 WeakPolarHBondContact O-CG1 3.39Å; L387-V536 HydrophobicContact CB-CG2 3.76Å; L387-V536 HydrophobicContact CD1-CG2 4.06Å; A388-V536 HydrophobicContact CB-CG1 4.3Å; Q531-V536 HydrophobicContact CB-CG1 3.94Å; Q531-V536 PolarHBondContact O-N 2.88Å; S534-V536 VanDerWaalsContact C-N 3.34Å; S534-V536 WeakPolarHBondContact OG-CG1 3.46Å; S534-V536 PolarHBondContact OG-N 2.76Å; V536-K538 PolarHBondContact O-N 3.4Å; V536-A539 WeakPolarHBondContact O-CB 3.34Å; V536-A539 PolarHBondContact O-N 3.06Å; V536-A539 VanDerWaalsContact O-N 3.11Å
537	A	89.3	Confident	81	Confident	42 Å²	42	65.2 Å²	65.2	35%	0.347	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-63	-16.5	-176.6	0	0	0	0	0	114.5	Q531 F532 R535	Q531-A537 HydrophobicContact CB-CB 4.06Å; Q531-A537 HydrophobicContact CG-CB 4.09Å; Q531-A537 VanDerWaalsContact O-CB 3.32Å; Q531-A537 WeakPolarHBondContact O-CB 3.44Å; Q531-A537 PolarHBondContact O-N 3.07Å; F532-A537 HydrophobicContact CD1-CB 4.19Å; F532-A537 HydrophobicContact CE1-CB 4.2Å; R535-A537 VanDerWaalsContact C-N 3.28Å; R535-A537 PolarHBondContact O-N 2.81Å
538	K	84.9	Confident	80	Confident	118 Å²	118	64 Å²	64	51%	0.513	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-123	4.9	179.3	-65	-172.9	178	-176.5	0	112.8	R303 R535 V536 E540 G541	R303-K538 WeakPolarHBondContact CG-O 3.35Å; R535-K538 PolarHBondContact O-N 2.76Å; R535-K538 VanDerWaalsContact O-N 3.11Å; V536-K538 PolarHBondContact O-N 3.4Å; K538-E540 PolarHBondContact O-N 2.84Å; K538-G541 PolarHBondContact O-N 3.15Å; K538-G541 VanDerWaalsContact O-N 3.13Å
539	A	84.8	Confident	79.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-46.2	-169.7	0	0	0	0	0	112.6	F301 Q302 R303 R304 I361 R535 V536 G541	F301-A539 HydrophobicContact CB-CB 4.03Å; Q302-A539 WeakPolarHBondContact O-CA 3.4Å; Q302-A539 WeakPolarHBondContact O-CB 3.49Å; R303-A539 WeakPolarHBondContact CA-O 3.41Å; R304-A539 PolarHBondContact N-O 2.97Å; I361-A539 HydrophobicContact CD1-CB 3.45Å; I361-A539 VanDerWaalsContact CD1-CB 3.45Å; R535-A539 PolarHBondContact O-N 2.82Å; R535-A539 VanDerWaalsContact O-N 3.13Å; V536-A539 WeakPolarHBondContact O-CB 3.34Å; V536-A539 PolarHBondContact O-N 3.06Å; V536-A539 VanDerWaalsContact O-N 3.11Å; A539-G541 VanDerWaalsContact C-N 3.26Å; A539-G541 PolarHBondContact O-N 3.21Å
540	E	81	Confident	78.7	Confident	43 Å²	43	66.1 Å²	66.1	20%	0.201	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.1	-178.5	-66.5	171.8	118.4	0	0	114.4	V358 I361 S362 R365 K538	V358-E540 HydrophobicContact CG1-CG 4.12Å; I361-E540 HydrophobicContact CD1-CG 4.38Å; I361-E540 HydrophobicContact CG2-CG 4.47Å; S362-E540 PolarHBondContact OG-OE1 3.2Å; R365-E540 IonicContact CZ-OE1 2.96Å; R365-E540 IonicContact CZ-OE2 3.8Å; R365-E540 VanDerWaalsContact CZ-OE2 3.27Å; R365-E540 VanDerWaalsContact NH1-CD 3.3Å; R365-E540 IonicContact NH1-OE1 2.69Å; R365-E540 PolarHBondContact NH1-OE1 3.21Å; R365-E540 IonicContact NH1-OE2 3.72Å; R365-E540 PolarHBondContact NH1-OE2 3.48Å; R365-E540 IonicContact NH2-OE1 3.66Å; R365-E540 IonicContact NH2-OE2 3.86Å; R365-E540 PolarHBondContact NH2-OE2 2.81Å; K538-E540 PolarHBondContact O-N 2.84Å
541	G	70.9	Confident	78	Confident	25 Å²	25	71 Å²	71	26%	0.258	38%	0.383	S	S	.	.			trans	90.8	168.4	-175.1	0	0	0	0	0	113.2	K538 A539 K543	K538-G541 PolarHBondContact O-N 3.15Å; K538-G541 VanDerWaalsContact O-N 3.13Å; A539-G541 VanDerWaalsContact C-N 3.26Å; A539-G541 PolarHBondContact O-N 3.21Å; G541-K543 VanDerWaalsContact C-N 3.31Å; G541-K543 PolarHBondContact O-N 2.79Å
542	S	56.1	Low	77	Confident	114 Å²	114	71.5 Å²	71.5	80%	0.797	39%	0.386	S	S	*	.			trans	-77.4	77.4	-179.1	-60.2	0	0	0	0	111.2	R544	S542-R544 PolarHBondContact O-N 2.92Å
543	K	52.8	Low	75.6	Confident	102 Å²	102	74.5 Å²	74.5	44%	0.443	40%	0.399	S	S	.	.			trans	-78.7	104.6	167.7	-72.4	-160.6	176.7	-155.7	0	109.3	G541 E559	G541-K543 VanDerWaalsContact C-N 3.31Å; G541-K543 PolarHBondContact O-N 2.79Å; K543-E559 VanDerWaalsContact NZ-CD 3.27Å; K543-E559 IonicContact NZ-OE1 3.51Å; K543-E559 PolarHBondContact NZ-OE1 3.34Å; K543-E559 IonicContact NZ-OE2 3.89Å; K543-E559 PolarHBondContact NZ-OE2 3.43Å
544	R	51	Low	74	Confident	188 Å²	188	75 Å²	75	71%	0.709	40%	0.401	S	S	*	.	S	Bend	trans	56.3	159.7	176	-87.4	177.4	170.7	170.4	-7.4	116.1	S542 I546	S542-R544 PolarHBondContact O-N 2.92Å; R544-I546 HydrophobicContact CB-CD1 4.15Å; R544-I546 HydrophobicContact CB-CG1 3.76Å; R544-I546 PolarHBondContact O-N 2.71Å
545	L	53.3	Low	71.5	Confident	185 Å²	185	77.4 Å²	77.4	97%	0.969	42%	0.421	S	S	*	.	S	Bend	trans	-69.6	64.5	171.7	-73.8	159.2	0	0	0	109.9
546	I	62.1	Low	69	Low	92 Å²	92	81 Å²	81	47%	0.472	44%	0.435	S	S	.	.			trans	-95.7	115	178	-46.1	-179.4	0	0	0	107.3	V380 R544 D550	V380-I546 HydrophobicContact CG2-CB 4.48Å; V380-I546 HydrophobicContact CG2-CG2 3.5Å; V380-I546 VanDerWaalsContact CG2-CG2 3.5Å; R544-I546 HydrophobicContact CB-CD1 4.15Å; R544-I546 HydrophobicContact CB-CG1 3.76Å; R544-I546 PolarHBondContact O-N 2.71Å; I546-D550 VanDerWaalsContact CA-OD2 3.24Å; I546-D550 WeakPolarHBondContact CA-OD2 3.39Å; I546-D550 HydrophobicContact CG2-CB 3.5Å; I546-D550 VanDerWaalsContact CG2-CB 3.5Å; I546-D550 WeakPolarHBondContact CG2-OD2 3.39Å
547	G	70.6	Confident	66	Low	33 Å²	33	87.8 Å²	87.8	34%	0.34	47%	0.466	S	S	.	.			trans	-74.5	158.2	178.8	0	0	0	0	0	111.9	A549 D550	G547-A549 PolarHBondContact O-N 3.16Å; G547-A549 VanDerWaalsContact O-N 3.1Å; G547-D550 PolarHBondContact N-OD2 3.13Å; G547-D550 WeakPolarHBondContact O-CB 3.35Å; G547-D550 PolarHBondContact O-N 3.13Å
548	S	74.9	Confident	63.1	Low	56 Å²	56	89.2 Å²	89.2	39%	0.392	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.9	179.3	-58.2	0	0	0	0	114	T379 L381	T379-S548 PolarHBondContact OG1-O 2.94Å; L381-S548 VanDerWaalsContact CB-O 3.3Å; L381-S548 WeakPolarHBondContact CB-O 3.47Å; L381-S548 PolarHBondContact N-O 3.33Å
549	A	78.8	Confident	60.5	Low	84 Å²	84	91 Å²	91	69%	0.694	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.2	178.9	0	0	0	0	0	113.6	G547	G547-A549 PolarHBondContact O-N 3.16Å; G547-A549 VanDerWaalsContact O-N 3.1Å
550	D	79.8	Confident	58.1	Low	71 Å²	71	95.7 Å²	95.7	38%	0.38	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-70.5	137	-178.2	-67.2	-9.1	0	0	0	109.8	T379 V380 I546 G547	T379-D550 CarbonylContact C-O 3.58Å; T379-D550 VanDerWaalsContact CA-O 3.24Å; T379-D550 WeakPolarHBondContact CA-O 3.21Å; V380-D550 HydrophobicContact CG2-CB 4.48Å; V380-D550 PolarHBondContact N-O 3.48Å; I546-D550 VanDerWaalsContact CA-OD2 3.24Å; I546-D550 WeakPolarHBondContact CA-OD2 3.39Å; I546-D550 HydrophobicContact CG2-CB 3.5Å; I546-D550 VanDerWaalsContact CG2-CB 3.5Å; I546-D550 WeakPolarHBondContact CG2-OD2 3.39Å; G547-D550 PolarHBondContact N-OD2 3.13Å; G547-D550 WeakPolarHBondContact O-CB 3.35Å; G547-D550 PolarHBondContact O-N 3.13Å
551	Q	78.9	Confident	55.5	Low	162 Å²	162	102.2 Å²	102.2	76%	0.757	55%	0.547	S	S	*	.	B	Isolated β-bridge	trans	-71.8	133.9	175.7	-69.1	-165.9	-13	0	0	110.8
552	I	72.3	Confident	53.4	Low	31 Å²	31	112.3 Å²	112.3	16%	0.159	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-81.8	122.2	167.3	-59.6	173.7	0	0	0	106.8	W370 T378 T379 V380 D383	W370-I552 HydrophobicContact CZ2-CG2 3.85Å; T378-I552 WeakPolarHBondContact O-CB 3.41Å; T378-I552 PolarHBondContact O-N 3.15Å; T379-I552 VanDerWaalsContact O-CD1 3.31Å; T379-I552 WeakPolarHBondContact O-CD1 3.28Å; V380-I552 HydrophobicContact CG2-CG1 4.12Å; D383-I552 HydrophobicContact CB-CD1 3.29Å
553	K	64.4	Low	53.2	Low	167 Å²	167	112.2 Å²	112.2	73%	0.726	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-82	128.7	157.6	-66.5	-172.1	176.9	-173.8	0	106.5	A555	K553-A555 PolarHBondContact O-N 3.41Å; K553-A555 VanDerWaalsContact O-N 3.12Å
554	F	62.8	Low	53.3	Low	10 Å²	10	112.7 Å²	112.7	4%	0.044	58%	0.58	C	S	.	*	S	Bend	trans	-66.6	-8.8	178.1	-58.1	-88.3	0	0	0	111.8	L141 L144 E145 W370 L374 T378 Y556	L141-F554 WeakPolarHBondContact CD1-O 3.47Å; L141-F554 HydrophobicContact CD2-CB 4.37Å; L144-F554 HydrophobicContact CD2-CD1 3.74Å; L144-F554 HydrophobicContact CD2-CE1 3.59Å; L144-F554 HydrophobicContact CD2-CG 4.32Å; L144-F554 HydrophobicContact CD2-CZ 4.02Å; E145-F554 HydrophobicContact CG-CB 3.77Å; E145-F554 HydrophobicContact CG-CD2 3.45Å; E145-F554 VanDerWaalsContact CG-CD2 3.45Å; E145-F554 HydrophobicContact CG-CE2 4.43Å; E145-F554 HydrophobicContact CG-CG 4.03Å; E145-F554 WeakPolarHBondContact OE1-CA 3.35Å; E145-F554 WeakPolarHBondContact OE1-CB 3.37Å; E145-F554 PolarHBondContact OE1-N 2.99Å; W370-F554 HydrophobicContact CB-CD1 3.91Å; W370-F554 HydrophobicContact CB-CE1 3.7Å; W370-F554 AromaticContact CD2-CD1 3.59Å; W370-F554 HydrophobicContact CD2-CD1 3.59Å; W370-F554 HydrophobicContact CD2-CE1 4.12Å; W370-F554 HydrophobicContact CE3-CB 4.26Å; W370-F554 AromaticContact CE3-CD1 3.63Å; W370-F554 HydrophobicContact CE3-CD1 3.63Å; W370-F554 HydrophobicContact CE3-CG 4.46Å; W370-F554 AromaticContact CG-CD1 3.75Å; W370-F554 HydrophobicContact CG-CD1 3.75Å; W370-F554 AromaticContact CG-CE1 3.77Å; W370-F554 HydrophobicContact CG-CE1 3.77Å; W370-F554 HydrophobicContact CZ3-CB 4.17Å; W370-F554 HydrophobicContact CZ3-CD1 4.28Å; W370-F554 WeakPolarHBondContact CZ3-O 3.33Å; L374-F554 HydrophobicContact CD2-CZ 4.15Å; T378-F554 HydrophobicContact CG2-CE1 4.18Å; T378-F554 HydrophobicContact CG2-CE2 3.6Å; T378-F554 HydrophobicContact CG2-CZ 3.26Å; F554-Y556 PolarHBondContact O-N 3.21Å
555	A	44.5	Very low	53.4	Low	52 Å²	52	108.6 Å²	108.6	43%	0.43	57%	0.573	S	S	.	*			trans	-63.4	94.7	164.1	0	0	0	0	0	111.7	E145 K553 Q557	E145-A555 PolarHBondContact OE1-N 3.31Å; E145-A555 VanDerWaalsContact OE1-N 3.07Å; K553-A555 PolarHBondContact O-N 3.41Å; K553-A555 VanDerWaalsContact O-N 3.12Å; A555-Q557 PolarHBondContact O-N 3Å
556	Y	41.6	Very low	53.4	Low	116 Å²	116	104.1 Å²	104.1	46%	0.455	55%	0.55	S	S	.	*			trans	-61.2	108.2	162.1	-145.1	-92.7	0	0	0	106.9	W370 F554 S558	W370-Y556 HydrophobicContact CH2-CD2 4.22Å; F554-Y556 PolarHBondContact O-N 3.21Å; Y556-S558 VanDerWaalsContact C-N 3.3Å; Y556-S558 PolarHBondContact O-N 3.44Å
557	Q	31.6	Very low	52.9	Low	152 Å²	152	104.8 Å²	104.8	71%	0.71	56%	0.555	S	S	*	*			trans	-62.1	100.5	168.6	-74.5	-170.8	-22.1	0	0	106.5	A555 E559	A555-Q557 PolarHBondContact O-N 3Å; Q557-E559 PolarHBondContact O-N 2.93Å
558	S	28.5	Very low	51.7	Low	72 Å²	72	109.6 Å²	109.6	50%	0.503	57%	0.569	S	S	.	*			trans	-52.7	116.4	167.7	56.5	0	0	0	0	106.9	Y556 S560	Y556-S558 VanDerWaalsContact C-N 3.3Å; Y556-S558 PolarHBondContact O-N 3.44Å; S558-S560 WeakPolarHBondContact CB-OG 3.5Å; S558-S560 PolarHBondContact O-N 3.5Å; S558-S560 PolarHBondContact OG-OG 3.26Å
559	E	31.1	Very low	50	Low	156 Å²	156	113.4 Å²	113.4	73%	0.729	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	23.4	177	-85.6	171.4	166.9	0	0	112.6	K543 Q557	K543-E559 VanDerWaalsContact NZ-CD 3.27Å; K543-E559 IonicContact NZ-OE1 3.51Å; K543-E559 PolarHBondContact NZ-OE1 3.34Å; K543-E559 IonicContact NZ-OE2 3.89Å; K543-E559 PolarHBondContact NZ-OE2 3.43Å; Q557-E559 PolarHBondContact O-N 2.93Å
560	S	33.8	Very low	47.8	Very low	99 Å²	99	115.7 Å²	115.7	69%	0.692	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	9.1	172.9	50.1	0	0	0	0	114.4	S558	S558-S560 WeakPolarHBondContact CB-OG 3.5Å; S558-S560 PolarHBondContact O-N 3.5Å; S558-S560 PolarHBondContact OG-OG 3.26Å
561	Q	25.3	Very low	45.1	Very low	179 Å²	179	119.4 Å²	119.4	84%	0.836	59%	0.589	S	S	*	*			trans	-129.2	31.1	176.8	-77.5	-165.5	-14.1	0	0	115.3
562	K	27.2	Very low	42.1	Very low	237 Å²	237	115.5 Å²	115.5	100%	1.03	57%	0.574	S	S	*	*			trans	-119.6	0	165.5	-93.6	-171.1	175.8	-176.3	0	112.6

Retrieved 562 of 562 residues in 283.2 ms (Link to these results)

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