A0A087XXU4_POEFO Loading...

Cytochrome P450 1A

Cytochromes P450 are a group of heme-thiolate monooxygenases. They oxidize a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.

AlphaFold DB , UniProt , Accession A0A087XXU4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 545 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	33.1	Very low	37.8	Very low	233 Å²	233	146.7 Å²	146.7	100%	1.148	76%	0.758	S	S	*	*				0	115.7	0	-99.6	169.7	157.8	0	0	108.1
2	T	31.7	Very low	38.3	Very low	111 Å²	111	142.8 Å²	142.8	68%	0.681	75%	0.746	S	S	*	*			trans	42.4	101	141.6	41.1	0	0	0	0	115.9
3	S	39.5	Very low	38.4	Very low	109 Å²	109	142.2 Å²	142.2	76%	0.762	74%	0.739	S	S	*	*				49.1	97.6	54.5	123.9	0	0	0	0	110.1
4	L	38.5	Very low	38.6	Very low	141 Å²	141	140.1 Å²	140.1	74%	0.738	72%	0.724	S	S	*	*			trans	171.6	80	168	-91.2	142.7	0	0	0	100.9
5	F	37.5	Very low	38.9	Very low	194 Å²	194	133.9 Å²	133.9	85%	0.851	70%	0.702	S	S	*	*	S	Bend		-171.9	8.5	109.2	-100.2	-80	0	0	0	113.2
6	S	38.9	Very low	39.2	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	70%	0.698	S	S	*	*	S	Bend	trans	-91.9	-16.4	-178.3	-172.3	0	0	0	0	114.6
7	S	37.8	Very low	39.5	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	70%	0.698	S	S	*	*	S	Bend	trans	-93	-6.2	-171.4	-122	0	0	0	0	115.3
8	R	38.1	Very low	39.7	Very low	210 Å²	210	136.2 Å²	136.2	79%	0.792	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-11.9	-174.6	-85.7	-170.1	177.3	-165	0.2	115.7	V12	R8-V12 WeakPolarHBondContact O-CG2 3.32Å
9	R	37.8	Very low	39.7	Very low	226 Å²	226	133.3 Å²	133.3	85%	0.853	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-26	176.1	-75.3	-171.3	177.6	-171.2	0.2	113.9
10	I	41.7	Very low	39.7	Very low	104 Å²	104	132.8 Å²	132.8	53%	0.533	69%	0.69	S	S	.	*	H	α-helix	trans	-79.8	-38.4	176.5	-60.8	172.6	0	0	0	110.3	V12 M13 E14	I10-V12 PolarHBondContact O-N 2.95Å; I10-M13 PolarHBondContact O-N 3Å; I10-E14 PolarHBondContact O-N 3.14Å
11	C	41.3	Very low	39.8	Very low	79 Å²	79	131.1 Å²	131.1	53%	0.534	69%	0.688	S	S	.	*	H	α-helix	trans	-68.7	-29.1	-178.4	-161.7	0	0	0	0	113.7	A15	C11-A15 WeakPolarHBondContact O-CB 3.41Å; C11-A15 PolarHBondContact O-N 3.44Å
12	V	43.5	Very low	40.5	Very low	100 Å²	100	125 Å²	125	61%	0.606	67%	0.668	S	S	*	*	H	α-helix	trans	-76.4	-30.8	176.1	179.3	0	0	0	0	111.6	R8 I10 F16	R8-V12 WeakPolarHBondContact O-CG2 3.32Å; I10-V12 PolarHBondContact O-N 2.95Å; V12-F16 WeakPolarHBondContact O-CB 3.44Å; V12-F16 PolarHBondContact O-N 2.9Å
13	M	39.9	Very low	41.2	Very low	135 Å²	135	125.1 Å²	125.1	67%	0.665	67%	0.668	S	S	*	*	H	α-helix	trans	-79.8	-35	177.7	-146.9	160	73.4	0	0	111.6	I10 L17	I10-M13 PolarHBondContact O-N 3Å; M13-L17 WeakPolarHBondContact O-CB 3.44Å; M13-L17 WeakPolarHBondContact O-CG 3.36Å; M13-L17 PolarHBondContact O-N 3.35Å; M13-L17 VanDerWaalsContact O-N 3.1Å
14	E	40.9	Very low	41.7	Very low	112 Å²	112	124.9 Å²	124.9	52%	0.523	66%	0.658	S	S	.	*	H	α-helix	trans	-69.5	-39	169.8	-78.3	-179.5	151.2	0	0	112.3	I10 F16 L17 Q18	I10-E14 PolarHBondContact O-N 3.14Å; E14-F16 PolarHBondContact O-N 2.8Å; E14-L17 PolarHBondContact O-N 3.25Å; E14-Q18 VanDerWaalsContact O-CB 3.29Å; E14-Q18 WeakPolarHBondContact O-CB 3.26Å; E14-Q18 VanDerWaalsContact O-CG 3.28Å; E14-Q18 WeakPolarHBondContact O-CG 3.06Å; E14-Q18 PolarHBondContact O-N 2.76Å
15	A	43.3	Very low	42.3	Very low	48 Å²	48	122.8 Å²	122.8	40%	0.397	65%	0.654	S	S	.	*	H	α-helix	trans	-68	-32.9	175.6	0	0	0	0	0	112.7	C11 Q18 S19	C11-A15 WeakPolarHBondContact O-CB 3.41Å; C11-A15 PolarHBondContact O-N 3.44Å; A15-Q18 PolarHBondContact O-N 2.92Å; A15-S19 WeakPolarHBondContact O-CB 3.24Å; A15-S19 PolarHBondContact O-N 2.98Å; A15-S19 PolarHBondContact O-OG 2.72Å; A15-S19 VanDerWaalsContact O-OG 3.09Å
16	F	44.5	Very low	43.2	Very low	144 Å²	144	121.5 Å²	121.5	63%	0.632	65%	0.649	S	S	*	*	H	α-helix	trans	-75.8	-30.6	175.9	-144.4	-93.6	0	0	0	112.6	V12 E14 M20	V12-F16 WeakPolarHBondContact O-CB 3.44Å; V12-F16 PolarHBondContact O-N 2.9Å; E14-F16 PolarHBondContact O-N 2.8Å; F16-M20 PolarHBondContact O-N 3.39Å
17	L	42.9	Very low	44.7	Very low	135 Å²	135	119.7 Å²	119.7	71%	0.707	63%	0.633	S	S	*	*	H	α-helix	trans	-75.7	-24.9	170.6	-79.9	161.9	0	0	0	112.6	M13 E14	M13-L17 WeakPolarHBondContact O-CB 3.44Å; M13-L17 WeakPolarHBondContact O-CG 3.36Å; M13-L17 PolarHBondContact O-N 3.35Å; M13-L17 VanDerWaalsContact O-N 3.1Å; E14-L17 PolarHBondContact O-N 3.25Å
18	Q	42.9	Very low	46.6	Very low	163 Å²	163	119.7 Å²	119.7	76%	0.762	63%	0.631	S	S	*	*	H	α-helix	trans	-90.3	-16.4	174.5	-74.1	176.4	-6.5	0	0	114	E14 A15	E14-Q18 VanDerWaalsContact O-CB 3.29Å; E14-Q18 WeakPolarHBondContact O-CB 3.26Å; E14-Q18 VanDerWaalsContact O-CG 3.28Å; E14-Q18 WeakPolarHBondContact O-CG 3.06Å; E14-Q18 PolarHBondContact O-N 2.76Å; A15-Q18 PolarHBondContact O-N 2.92Å
19	S	41.3	Very low	48.6	Very low	81 Å²	81	112 Å²	112	57%	0.566	62%	0.617	S	S	*	*	S	Bend	trans	-100	-2	177.6	75	0	0	0	0	114.3	A15 P21	A15-S19 WeakPolarHBondContact O-CB 3.24Å; A15-S19 PolarHBondContact O-N 2.98Å; A15-S19 PolarHBondContact O-OG 2.72Å; A15-S19 VanDerWaalsContact O-OG 3.09Å; S19-P21 WeakPolarHBondContact O-CD 3.29Å
20	M	38.5	Very low	50.7	Low	123 Å²	123	103 Å²	103	61%	0.606	59%	0.591	S	S	*	*	S	Bend	trans	-65.2	123.5	157.3	-74.7	-84.6	-145.1	0	0	105.7	F16 S22	F16-M20 PolarHBondContact O-N 3.39Å; M20-S22 PolarHBondContact O-N 3.42Å; M20-S22 VanDerWaalsContact O-N 3.15Å
21	P	42.4	Very low	52.7	Low	99 Å²	99	102 Å²	102	64%	0.643	59%	0.586	S	S	*	*			trans	-47.8	133.4	158.3	-14.7	26.6	0	0	0	105	S19 V23	S19-P21 WeakPolarHBondContact O-CD 3.29Å; P21-V23 PolarHBondContact O-N 2.89Å
22	S	46.8	Very low	54.9	Low	103 Å²	103	103.6 Å²	103.6	72%	0.72	59%	0.589	S	S	*	*			trans	-53.1	94.4	159.5	41.5	0	0	0	0	105.1	M20 N24	M20-S22 PolarHBondContact O-N 3.42Å; M20-S22 VanDerWaalsContact O-N 3.15Å; S22-N24 PolarHBondContact O-N 2.71Å
23	V	47.9	Very low	56.9	Low	114 Å²	114	101.6 Å²	101.6	69%	0.691	58%	0.583	S	S	*	*			trans	-66.2	91.7	168.7	178.5	0	0	0	0	100.6	P21 C25	P21-V23 PolarHBondContact O-N 2.89Å; V23-C25 PolarHBondContact O-N 2.77Å
24	N	48.6	Very low	59.2	Low	104 Å²	104	98 Å²	98	56%	0.556	58%	0.575	S	S	*	*			trans	-53.6	99.3	169.4	-88	-20.4	0	0	0	103.5	S22 F26 T27	S22-N24 PolarHBondContact O-N 2.71Å; N24-F26 PolarHBondContact O-N 2.77Å; N24-T27 HydrophobicContact CB-CG2 3.89Å; N24-T27 PolarHBondContact O-N 3.41Å; N24-T27 PolarHBondContact O-OG1 3.04Å
25	C	50.6	Low	61.4	Low	97 Å²	97	96.1 Å²	96.1	66%	0.655	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-6.8	176.7	-148.9	0	0	0	0	110.4	V23	V23-C25 PolarHBondContact O-N 2.77Å
26	F	57.2	Low	63.6	Low	168 Å²	168	98.9 Å²	98.9	74%	0.737	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	25.2	176.4	-63.1	-82.2	0	0	0	113.6	N24 L31	N24-F26 PolarHBondContact O-N 2.77Å; F26-L31 HydrophobicContact CD1-CD1 4.18Å
27	T	71.2	Confident	65.6	Low	64 Å²	64	94.8 Å²	94.8	39%	0.393	57%	0.573	S	S	.	*			trans	-66.2	134.3	160.6	54.8	0	0	0	0	108	N24 G29 A30 L31	N24-T27 HydrophobicContact CB-CG2 3.89Å; N24-T27 PolarHBondContact O-N 3.41Å; N24-T27 PolarHBondContact O-OG1 3.04Å; T27-G29 PolarHBondContact O-N 2.93Å; T27-A30 PolarHBondContact O-N 3.44Å; T27-A30 VanDerWaalsContact OG1-CB 3.31Å; T27-A30 WeakPolarHBondContact OG1-CB 3.5Å; T27-A30 PolarHBondContact OG1-N 3.43Å; T27-L31 PolarHBondContact O-N 3.42Å
28	P	77.1	Confident	67.8	Low	104 Å²	104	93.6 Å²	93.6	68%	0.675	57%	0.567	S	S	*	*	H	α-helix	trans	-51	-32.2	178.1	-28.4	34.1	0	0	0	112.7	L32	P28-L32 WeakPolarHBondContact O-CB 3.18Å; P28-L32 PolarHBondContact O-N 3.33Å
29	G	81.3	Confident	69.8	Low	49 Å²	49	91.4 Å²	91.4	51%	0.505	56%	0.56	S	S	.	*	H	α-helix	trans	-67.8	-40.8	175.3	0	0	0	0	0	114.8	T27 L32 A33	T27-G29 PolarHBondContact O-N 2.93Å; G29-L32 PolarHBondContact O-N 3.08Å; G29-A33 WeakPolarHBondContact O-CB 3.38Å; G29-A33 PolarHBondContact O-N 3.36Å
30	A	80.6	Confident	71.9	Confident	38 Å²	38	92.4 Å²	92.4	31%	0.314	56%	0.558	S	S	.	*	H	α-helix	trans	-68.7	-39	176.8	0	0	0	0	0	111.8	T27 A33 A34	T27-A30 PolarHBondContact O-N 3.44Å; T27-A30 VanDerWaalsContact OG1-CB 3.31Å; T27-A30 WeakPolarHBondContact OG1-CB 3.5Å; T27-A30 PolarHBondContact OG1-N 3.43Å; A30-A33 PolarHBondContact O-N 3.06Å; A30-A34 WeakPolarHBondContact O-CB 3.09Å; A30-A34 PolarHBondContact O-N 2.94Å
31	L	84.5	Confident	73.8	Confident	82 Å²	82	89.3 Å²	89.3	43%	0.429	55%	0.549	S	S	.	.	H	α-helix	trans	-62.9	-44.2	172.4	-84.8	156	0	0	0	111.8	F26 T27 A34 C35	F26-L31 HydrophobicContact CD1-CD1 4.18Å; T27-L31 PolarHBondContact O-N 3.42Å; L31-A34 PolarHBondContact O-N 2.98Å; L31-C35 WeakPolarHBondContact O-CB 3.28Å; L31-C35 PolarHBondContact O-N 3.34Å; L31-C35 PolarHBondContact O-SG 3.38Å
32	L	86.9	Confident	75.7	Confident	113 Å²	113	87.8 Å²	87.8	59%	0.592	54%	0.538	S	S	*	.	H	α-helix	trans	-60.7	-45.6	174.7	-111.2	146	0	0	0	112	P28 G29 C35 L36	P28-L32 WeakPolarHBondContact O-CB 3.18Å; P28-L32 PolarHBondContact O-N 3.33Å; G29-L32 PolarHBondContact O-N 3.08Å; L32-C35 PolarHBondContact O-N 3.45Å; L32-L36 HydrophobicContact CD2-CD1 4.39Å; L32-L36 WeakPolarHBondContact O-CB 2.92Å; L32-L36 VanDerWaalsContact O-CG 3.27Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 2.95Å
33	A	86.6	Confident	77	Confident	58 Å²	58	84.7 Å²	84.7	48%	0.479	51%	0.51	S	S	.	.	H	α-helix	trans	-64.1	-42.4	178.1	0	0	0	0	0	112.2	G29 A30 L36 A37	G29-A33 WeakPolarHBondContact O-CB 3.38Å; G29-A33 PolarHBondContact O-N 3.36Å; A30-A33 PolarHBondContact O-N 3.06Å; A33-L36 PolarHBondContact O-N 2.91Å; A33-A37 WeakPolarHBondContact O-CB 3.27Å; A33-A37 PolarHBondContact O-N 3.47Å
34	A	86.5	Confident	78.4	Confident	60 Å²	60	82.6 Å²	82.6	50%	0.496	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-42.7	175.7	0	0	0	0	0	111.9	A30 L31 A37 L38	A30-A34 WeakPolarHBondContact O-CB 3.09Å; A30-A34 PolarHBondContact O-N 2.94Å; L31-A34 PolarHBondContact O-N 2.98Å; A34-A37 PolarHBondContact O-N 3Å; A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 PolarHBondContact O-N 2.64Å
35	C	87.9	Confident	79.6	Confident	71 Å²	71	83.9 Å²	83.9	48%	0.48	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-43.5	174	-75.6	0	0	0	0	111.9	L31 L32 L38 L39	L31-C35 WeakPolarHBondContact O-CB 3.28Å; L31-C35 PolarHBondContact O-N 3.34Å; L31-C35 PolarHBondContact O-SG 3.38Å; L32-C35 PolarHBondContact O-N 3.45Å; C35-L38 PolarHBondContact O-N 2.96Å; C35-L39 WeakPolarHBondContact O-CB 3.33Å; C35-L39 WeakPolarHBondContact O-CG 3.5Å; C35-L39 PolarHBondContact O-N 3.21Å
36	L	89.3	Confident	80.6	Confident	107 Å²	107	84 Å²	84	56%	0.56	49%	0.485	S	S	*	.	H	α-helix	trans	-64.6	-40.6	176.4	-73.8	168.7	0	0	0	111.9	L32 A33 L39 L40	L32-L36 HydrophobicContact CD2-CD1 4.39Å; L32-L36 WeakPolarHBondContact O-CB 2.92Å; L32-L36 VanDerWaalsContact O-CG 3.27Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 2.95Å; A33-L36 PolarHBondContact O-N 2.91Å; L36-L39 PolarHBondContact O-N 3.18Å; L36-L40 VanDerWaalsContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 PolarHBondContact O-N 3.41Å
37	A	86.7	Confident	81.1	Confident	57 Å²	57	80.2 Å²	80.2	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-67.2	-38.8	175.7	0	0	0	0	0	112.2	A33 A34 L40 S41	A33-A37 WeakPolarHBondContact O-CB 3.27Å; A33-A37 PolarHBondContact O-N 3.47Å; A34-A37 PolarHBondContact O-N 3Å; A37-L40 PolarHBondContact O-N 2.68Å; A37-S41 WeakPolarHBondContact O-CB 3.14Å; A37-S41 PolarHBondContact O-N 2.84Å; A37-S41 PolarHBondContact O-OG 2.8Å
38	L	88.6	Confident	81	Confident	111 Å²	111	87.2 Å²	87.2	58%	0.581	49%	0.486	S	S	*	.	H	α-helix	trans	-64.5	-46.4	173.3	-169.2	80	0	0	0	110.7	A34 C35 L40 S41 V42	A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 PolarHBondContact O-N 2.64Å; C35-L38 PolarHBondContact O-N 2.96Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 3.17Å; L38-S41 WeakPolarHBondContact CA-OG 3.33Å; L38-S41 PolarHBondContact O-N 2.97Å; L38-S41 PolarHBondContact O-OG 2.99Å; L38-V42 HydrophobicContact CG-CG2 4.42Å; L38-V42 VanDerWaalsContact O-CB 3.31Å; L38-V42 WeakPolarHBondContact O-CB 3.44Å; L38-V42 WeakPolarHBondContact O-CG2 3.02Å; L38-V42 PolarHBondContact O-N 3.21Å
39	L	85.9	Confident	80.4	Confident	117 Å²	117	90.9 Å²	90.9	61%	0.613	49%	0.486	S	S	*	.	H	α-helix	trans	-61.7	-41.6	176.2	-73.8	169.7	0	0	0	111.6	C35 L36 W43	C35-L39 WeakPolarHBondContact O-CB 3.33Å; C35-L39 WeakPolarHBondContact O-CG 3.5Å; C35-L39 PolarHBondContact O-N 3.21Å; L36-L39 PolarHBondContact O-N 3.18Å; L39-W43 WeakPolarHBondContact O-CB 3.48Å; L39-W43 PolarHBondContact O-N 3.15Å
40	L	84.1	Confident	79.6	Confident	101 Å²	101	90 Å²	90	53%	0.529	48%	0.477	S	S	.	.	H	α-helix	trans	-66.1	-42.3	177.1	-172.3	74.6	0	0	0	111.8	L36 A37 L38 W43 L44	L36-L40 VanDerWaalsContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 PolarHBondContact O-N 3.41Å; A37-L40 PolarHBondContact O-N 2.68Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 3.17Å; L40-W43 HydrophobicContact CD1-CE3 3.83Å; L40-W43 HydrophobicContact CD1-CZ3 4.11Å; L40-W43 PolarHBondContact O-N 3.33Å; L40-L44 HydrophobicContact CG-CD1 4.33Å; L40-L44 WeakPolarHBondContact O-CB 3.31Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.17Å
41	S	80.1	Confident	79.1	Confident	59 Å²	59	89.8 Å²	89.8	41%	0.413	48%	0.475	S	S	.	.	H	α-helix	trans	-70.7	-42.4	179	53	0	0	0	0	112.2	A37 L38 W43 L44 W45	A37-S41 WeakPolarHBondContact O-CB 3.14Å; A37-S41 PolarHBondContact O-N 2.84Å; A37-S41 PolarHBondContact O-OG 2.8Å; L38-S41 WeakPolarHBondContact CA-OG 3.33Å; L38-S41 PolarHBondContact O-N 2.97Å; L38-S41 PolarHBondContact O-OG 2.99Å; S41-W43 VanDerWaalsContact C-N 3.3Å; S41-W43 PolarHBondContact O-N 3.45Å; S41-L44 PolarHBondContact O-N 2.85Å; S41-W45 VanDerWaalsContact O-CB 3.25Å; S41-W45 WeakPolarHBondContact O-CB 3.39Å; S41-W45 PolarHBondContact O-N 3.03Å
42	V	80.8	Confident	78.5	Confident	67 Å²	67	86.3 Å²	86.3	41%	0.406	46%	0.457	S	S	.	.	H	α-helix	trans	-60	-42.8	170.3	170.5	0	0	0	0	110.3	L38 W45 L46	L38-V42 HydrophobicContact CG-CG2 4.42Å; L38-V42 VanDerWaalsContact O-CB 3.31Å; L38-V42 WeakPolarHBondContact O-CB 3.44Å; L38-V42 WeakPolarHBondContact O-CG2 3.02Å; L38-V42 PolarHBondContact O-N 3.21Å; V42-W45 PolarHBondContact O-N 3.46Å; V42-L46 HydrophobicContact CG1-CD1 3.83Å; V42-L46 HydrophobicContact CG1-CG 4.26Å; V42-L46 WeakPolarHBondContact O-CB 3.43Å; V42-L46 VanDerWaalsContact O-CG 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.28Å; V42-L46 PolarHBondContact O-N 3.48Å
43	W	75.7	Confident	77.9	Confident	37 Å²	37	86.1 Å²	86.1	14%	0.14	46%	0.463	C	S	.	.	H	α-helix	trans	-64.5	-46.4	176.7	170.1	77.2	0	0	0	112.3	L39 L40 S41 W45 L46 R47 F59 A60 P62	L39-W43 WeakPolarHBondContact O-CB 3.48Å; L39-W43 PolarHBondContact O-N 3.15Å; L40-W43 HydrophobicContact CD1-CE3 3.83Å; L40-W43 HydrophobicContact CD1-CZ3 4.11Å; L40-W43 PolarHBondContact O-N 3.33Å; S41-W43 VanDerWaalsContact C-N 3.3Å; S41-W43 PolarHBondContact O-N 3.45Å; W43-W45 VanDerWaalsContact C-N 3.26Å; W43-W45 PolarHBondContact O-N 3.3Å; W43-L46 PolarHBondContact O-N 2.97Å; W43-R47 VanDerWaalsContact O-CB 3.27Å; W43-R47 WeakPolarHBondContact O-CB 3.2Å; W43-R47 PolarHBondContact O-N 3.35Å; W43-F59 HydrophobicContact CH2-CD2 4.48Å; W43-F59 HydrophobicContact CH2-CE1 4.11Å; W43-F59 AromaticContact CH2-CE2 3.43Å; W43-F59 HydrophobicContact CH2-CE2 3.43Å; W43-F59 VanDerWaalsContact CH2-CE2 3.43Å; W43-F59 AromaticContact CH2-CZ 3.18Å; W43-F59 HydrophobicContact CH2-CZ 3.18Å; W43-F59 HydrophobicContact CZ2-CE1 4.06Å; W43-F59 HydrophobicContact CZ2-CE2 4.09Å; W43-F59 AromaticContact CZ2-CZ 3.58Å; W43-F59 HydrophobicContact CZ2-CZ 3.58Å; W43-F59 HydrophobicContact CZ3-CE2 4.39Å; W43-F59 HydrophobicContact CZ3-CZ 4.14Å; W43-A60 VanDerWaalsContact CZ2-O 3.28Å; W43-A60 WeakPolarHBondContact CZ2-O 3.39Å; W43-P62 HydrophobicContact CD2-CG 4.28Å; W43-P62 HydrophobicContact CG-CB 4.36Å; W43-P62 HydrophobicContact CG-CG 4.1Å
44	L	76.9	Confident	77.7	Confident	71 Å²	71	86.7 Å²	86.7	37%	0.372	48%	0.475	S	S	.	.	H	α-helix	trans	-60.4	-38.3	174.9	-78	170.3	0	0	0	111.5	L40 S41 R48	L40-L44 HydrophobicContact CG-CD1 4.33Å; L40-L44 WeakPolarHBondContact O-CB 3.31Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.17Å; S41-L44 PolarHBondContact O-N 2.85Å; L44-R48 WeakPolarHBondContact O-CG 3.41Å; L44-R48 PolarHBondContact O-N 3.46Å
45	W	73.9	Confident	77.9	Confident	130 Å²	130	84.4 Å²	84.4	49%	0.492	45%	0.454	S	S	.	.	H	α-helix	trans	-69.5	-46.4	177.4	179.9	86.4	0	0	0	112.4	S41 V42 W43 R47 R48 R49	S41-W45 VanDerWaalsContact O-CB 3.25Å; S41-W45 WeakPolarHBondContact O-CB 3.39Å; S41-W45 PolarHBondContact O-N 3.03Å; V42-W45 PolarHBondContact O-N 3.46Å; W43-W45 VanDerWaalsContact C-N 3.26Å; W43-W45 PolarHBondContact O-N 3.3Å; W45-R47 VanDerWaalsContact C-N 3.3Å; W45-R47 PolarHBondContact O-N 3.25Å; W45-R48 PolarHBondContact O-N 2.81Å; W45-R49 VanDerWaalsContact CH2-CZ 3.4Å; W45-R49 PolarHBondContact O-N 3.35Å
46	L	71.3	Confident	78.3	Confident	99 Å²	99	82.8 Å²	82.8	52%	0.518	44%	0.442	S	S	.	.	H	α-helix	trans	-60.3	-41.1	174.1	-74	172	0	0	0	111.2	V42 W43 R48 R49 G50	V42-L46 HydrophobicContact CG1-CD1 3.83Å; V42-L46 HydrophobicContact CG1-CG 4.26Å; V42-L46 WeakPolarHBondContact O-CB 3.43Å; V42-L46 VanDerWaalsContact O-CG 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.28Å; V42-L46 PolarHBondContact O-N 3.48Å; W43-L46 PolarHBondContact O-N 2.97Å; L46-R48 PolarHBondContact O-N 3.49Å; L46-R49 PolarHBondContact O-N 2.88Å; L46-G50 PolarHBondContact O-N 3.38Å
47	R	68.6	Low	78.5	Confident	90 Å²	90	78.8 Å²	78.8	34%	0.34	43%	0.427	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175.4	-176.5	179.7	175.6	-164	-1.4	112	W43 W45 R49 G50 A51 F59	W43-R47 VanDerWaalsContact O-CB 3.27Å; W43-R47 WeakPolarHBondContact O-CB 3.2Å; W43-R47 PolarHBondContact O-N 3.35Å; W45-R47 VanDerWaalsContact C-N 3.3Å; W45-R47 PolarHBondContact O-N 3.25Å; R47-R49 VanDerWaalsContact C-N 3.29Å; R47-R49 PolarHBondContact O-N 2.98Å; R47-G50 PolarHBondContact O-N 2.96Å; R47-A51 WeakPolarHBondContact O-CB 3.41Å; R47-A51 PolarHBondContact O-N 3.3Å; R47-A51 VanDerWaalsContact O-N 3.12Å; R47-F59 VanDerWaalsContact NH1-CD2 3.33Å
48	R	67.4	Low	78.8	Confident	210 Å²	210	76.5 Å²	76.5	79%	0.792	41%	0.408	S	S	*	.	H	α-helix	trans	-66.1	-30.4	176.8	-76.2	-179.7	-178.3	-173.7	1.6	112.8	L44 W45 L46	L44-R48 WeakPolarHBondContact O-CG 3.41Å; L44-R48 PolarHBondContact O-N 3.46Å; W45-R48 PolarHBondContact O-N 2.81Å; L46-R48 PolarHBondContact O-N 3.49Å
49	R	66.1	Low	78.9	Confident	181 Å²	181	76.1 Å²	76.1	68%	0.683	40%	0.402	S	S	*	.	H	α-helix	trans	-78	-32.9	176.5	-79.4	-169.4	163.7	-162.6	-0.8	113.8	W45 L46 R47	W45-R49 VanDerWaalsContact CH2-CZ 3.4Å; W45-R49 PolarHBondContact O-N 3.35Å; L46-R49 PolarHBondContact O-N 2.88Å; R47-R49 VanDerWaalsContact C-N 3.29Å; R47-R49 PolarHBondContact O-N 2.98Å
50	G	62.5	Low	79.1	Confident	30 Å²	30	71.1 Å²	71.1	31%	0.309	38%	0.377	S	S	.	.	H	α-helix	trans	-86	-25	-178.5	0	0	0	0	0	114.6	L46 R47 T97	L46-G50 PolarHBondContact O-N 3.38Å; R47-G50 PolarHBondContact O-N 2.96Å; G50-T97 PolarHBondContact O-OG1 2.76Å
51	A	71.3	Confident	79.2	Confident	35 Å²	35	73.1 Å²	73.1	29%	0.289	38%	0.377	S	S	.	.	S	Bend	trans	-73	136	179.3	0	0	0	0	0	111.4	R47 P53	R47-A51 WeakPolarHBondContact O-CB 3.41Å; R47-A51 PolarHBondContact O-N 3.3Å; R47-A51 VanDerWaalsContact O-N 3.12Å; A51-P53 WeakPolarHBondContact O-CD 3.33Å
52	T	72.6	Confident	79.3	Confident	8 Å²	8	73.7 Å²	73.7	5%	0.049	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-66.4	120.5	166.1	-53	0	0	0	0	108.5	G54 L55 Q90 A411 P413	T52-G54 PolarHBondContact O-N 3.33Å; T52-L55 HydrophobicContact CG2-CD1 3.7Å; T52-L55 HydrophobicContact CG2-CG 4.4Å; T52-L55 PolarHBondContact O-N 2.97Å; T52-Q90 PolarHBondContact O-NE2 3.35Å; T52-A411 WeakPolarHBondContact CG2-O 3.47Å; T52-P413 HydrophobicContact CG2-CG 4.24Å
53	P	74.3	Confident	79.4	Confident	110 Å²	110	75.6 Å²	75.6	71%	0.714	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	132.6	-177.2	-25.5	34.7	0	0	0	111.7	A51 L55	A51-P53 WeakPolarHBondContact O-CD 3.33Å; P53-L55 VanDerWaalsContact C-N 3.32Å; P53-L55 PolarHBondContact O-N 3.11Å
54	G	81.6	Confident	80	Confident	70 Å²	70	76.5 Å²	76.5	72%	0.722	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-15	176	0	0	0	0	0	115.9	T52 Y410	T52-G54 PolarHBondContact O-N 3.33Å; G54-Y410 VanDerWaalsContact O-CE1 3.28Å; G54-Y410 WeakPolarHBondContact O-CE1 3.39Å
55	L	91.5	Very high	80.7	Confident	11 Å²	11	73.2 Å²	73.2	6%	0.058	38%	0.381	C	S	.	.			trans	-78.4	126.7	176.4	-85.9	169.9	0	0	0	111.9	T52 P53 V88 Q90 V99 Y410 I412	T52-L55 HydrophobicContact CG2-CD1 3.7Å; T52-L55 HydrophobicContact CG2-CG 4.4Å; T52-L55 PolarHBondContact O-N 2.97Å; P53-L55 VanDerWaalsContact C-N 3.32Å; P53-L55 PolarHBondContact O-N 3.11Å; L55-V88 HydrophobicContact CD2-CB 4.48Å; L55-V88 HydrophobicContact CD2-CG1 3.63Å; L55-Q90 HydrophobicContact CB-CB 4.16Å; L55-Q90 HydrophobicContact CB-CG 3.83Å; L55-Q90 HydrophobicContact CD1-CB 4.38Å; L55-Q90 PolarHBondContact O-NE2 2.79Å; L55-V99 HydrophobicContact CD1-CG1 4.36Å; L55-V99 HydrophobicContact CD1-CG2 3.67Å; L55-Y410 HydrophobicContact CD2-CD1 3.66Å; L55-Y410 HydrophobicContact CD2-CD2 3.69Å; L55-Y410 HydrophobicContact CD2-CE1 4.23Å; L55-Y410 HydrophobicContact CD2-CE2 4.25Å; L55-Y410 HydrophobicContact CD2-CG 3.35Å; L55-Y410 HydrophobicContact CG-CD1 4.06Å; L55-Y410 HydrophobicContact CG-CG 4.04Å; L55-I412 HydrophobicContact CD1-CD1 3.47Å; L55-I412 VanDerWaalsContact CD1-CD1 3.47Å; L55-I412 HydrophobicContact CG-CD1 4.39Å
56	P	94.4	Very high	81.6	Confident	37 Å²	37	67 Å²	67	24%	0.24	36%	0.358	C	S	.	.			trans	-70.8	158.9	174.8	31.8	-35	0	0	0	110.7	Y85 F89 Q90	P56-Y85 HydrophobicContact CB-CD1 4.07Å; P56-Y85 HydrophobicContact CB-CG 4.43Å; P56-Y85 WeakPolarHBondContact CG-O 3.49Å; P56-F89 CarbonylContact O-C 3.5Å; P56-F89 WeakPolarHBondContact O-CA 3.47Å; P56-F89 WeakPolarHBondContact O-CB 3.16Å; P56-Q90 PolarHBondContact O-N 2.96Å
57	G	94.2	Very high	82.4	Confident	23 Å²	23	63.9 Å²	63.9	24%	0.237	35%	0.347	C	S	.	.			trans	178.6	161.2	179.7	0	0	0	0	0	114.4	Q90	G57-Q90 VanDerWaalsContact CA-O 3.22Å; G57-Q90 WeakPolarHBondContact CA-O 3.41Å
58	P	93.6	Very high	83.3	Confident	10 Å²	10	63 Å²	63	7%	0.065	36%	0.358	C	S	.	.			trans	-62.9	156.4	175.5	27.1	-34.8	0	0	0	112.6	A60 M81 Y85 Q90 M91	P58-A60 PolarHBondContact O-N 3Å; P58-M81 HydrophobicContact CB-SD 4.3Å; P58-M81 HydrophobicContact CG-SD 4.46Å; P58-Y85 HydrophobicContact CB-CE2 4.07Å; P58-Y85 HydrophobicContact CG-CE2 4.46Å; P58-Q90 WeakPolarHBondContact CD-O 3.37Å; P58-M91 HydrophobicContact CG-CB 4.33Å
59	F	89.4	Confident	84.4	Confident	103 Å²	103	56.4 Å²	56.4	45%	0.452	34%	0.336	S	S	.	.			trans	-64.9	115.9	174	-178.3	-84.1	0	0	0	110.6	W43 R47 W61 N66 Q69	W43-F59 HydrophobicContact CH2-CD2 4.48Å; W43-F59 HydrophobicContact CH2-CE1 4.11Å; W43-F59 AromaticContact CH2-CE2 3.43Å; W43-F59 HydrophobicContact CH2-CE2 3.43Å; W43-F59 VanDerWaalsContact CH2-CE2 3.43Å; W43-F59 AromaticContact CH2-CZ 3.18Å; W43-F59 HydrophobicContact CH2-CZ 3.18Å; W43-F59 HydrophobicContact CZ2-CE1 4.06Å; W43-F59 HydrophobicContact CZ2-CE2 4.09Å; W43-F59 AromaticContact CZ2-CZ 3.58Å; W43-F59 HydrophobicContact CZ2-CZ 3.58Å; W43-F59 HydrophobicContact CZ3-CE2 4.39Å; W43-F59 HydrophobicContact CZ3-CZ 4.14Å; R47-F59 VanDerWaalsContact NH1-CD2 3.33Å; F59-W61 AromaticContact CD1-CD1 3.91Å; F59-N66 PolarHBondContact O-ND2 3.11Å; F59-Q69 PolarHBondContact O-OE1 3.34Å
60	A	90	Very high	85.3	Confident	11 Å²	11	49 Å²	49	9%	0.091	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-82.2	127.8	177.6	0	0	0	0	0	111.2	W43 P58 N66 Q92	W43-A60 VanDerWaalsContact CZ2-O 3.28Å; W43-A60 WeakPolarHBondContact CZ2-O 3.39Å; P58-A60 PolarHBondContact O-N 3Å; A60-N66 WeakPolarHBondContact CA-ND2 3.32Å; A60-Q92 HydrophobicContact CB-CB 3.59Å; A60-Q92 HydrophobicContact CB-CG 4.34Å
61	W	87.6	Confident	86.5	Confident	143 Å²	143	49.9 Å²	49.9	54%	0.542	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-73.2	155.5	176.5	-70.1	25.9	0	0	0	111.1	F59 V63 I64 G65	F59-W61 AromaticContact CD1-CD1 3.91Å; W61-V63 PolarHBondContact O-N 3.08Å; W61-I64 HydrophobicContact CB-CG1 4.11Å; W61-I64 HydrophobicContact CE3-CD1 4.3Å; W61-G65 WeakPolarHBondContact CB-O 3.41Å; W61-G65 PolarHBondContact N-O 3.24Å; W61-G65 VanDerWaalsContact O-CA 3.26Å; W61-G65 WeakPolarHBondContact O-CA 3.17Å; W61-G65 PolarHBondContact O-N 2.83Å
62	P	82.6	Confident	87.1	Confident	72 Å²	72	55 Å²	55	47%	0.468	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	141.2	172.2	-21.7	31.2	0	0	0	111.7	W43 I64	W43-P62 HydrophobicContact CD2-CG 4.28Å; W43-P62 HydrophobicContact CG-CB 4.36Å; W43-P62 HydrophobicContact CG-CG 4.1Å; P62-I64 PolarHBondContact O-N 2.77Å
63	V	82.8	Confident	87.9	Confident	106 Å²	106	56.7 Å²	56.7	64%	0.642	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	-55.8	176.7	-173.6	0	0	0	0	115.2	W61 G94 W249	W61-V63 PolarHBondContact O-N 3.08Å; V63-G94 WeakPolarHBondContact O-CA 3.49Å; V63-W249 HydrophobicContact CG1-CZ2 4.32Å
64	I	87.9	Confident	88.8	Confident	56 Å²	56	51.9 Å²	51.9	29%	0.287	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-14.3	-173.6	65.5	174.7	0	0	0	113.5	W61 P62 N66 A67 A68 G94 M247	W61-I64 HydrophobicContact CB-CG1 4.11Å; W61-I64 HydrophobicContact CE3-CD1 4.3Å; P62-I64 PolarHBondContact O-N 2.77Å; I64-N66 PolarHBondContact O-N 2.98Å; I64-A67 VanDerWaalsContact O-CB 3.28Å; I64-A67 WeakPolarHBondContact O-CB 3.29Å; I64-A67 PolarHBondContact O-N 3.38Å; I64-A68 HydrophobicContact CD1-CB 4Å; I64-G94 PolarHBondContact O-N 3.45Å; I64-G94 VanDerWaalsContact O-N 3.08Å; I64-M247 HydrophobicContact CG2-SD 4.19Å
65	G	91	Very high	89.4	Confident	2 Å²	2	48.5 Å²	48.5	2%	0.021	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	65	-128.5	-176	0	0	0	0	0	112.4	W61 Q92	W61-G65 WeakPolarHBondContact CB-O 3.41Å; W61-G65 PolarHBondContact N-O 3.24Å; W61-G65 VanDerWaalsContact O-CA 3.26Å; W61-G65 WeakPolarHBondContact O-CA 3.17Å; W61-G65 PolarHBondContact O-N 2.83Å; G65-Q92 CarbonylContact C-O 3.59Å; G65-Q92 WeakPolarHBondContact CA-O 3.5Å
66	N	92.1	Very high	89.6	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	6.9	178.7	-54.2	106.6	0	0	0	112.4	F59 A60 I64 A68 Q69 L70 M91 Q92 L93	F59-N66 PolarHBondContact O-ND2 3.11Å; A60-N66 WeakPolarHBondContact CA-ND2 3.32Å; I64-N66 PolarHBondContact O-N 2.98Å; N66-A68 VanDerWaalsContact C-N 3.32Å; N66-A68 PolarHBondContact O-N 2.72Å; N66-Q69 PolarHBondContact ND2-OE1 3.5Å; N66-Q69 WeakPolarHBondContact O-CB 3.43Å; N66-Q69 PolarHBondContact O-N 3.38Å; N66-L70 PolarHBondContact O-N 3.46Å; N66-M91 HydrophobicContact CB-CB 4.23Å; N66-M91 WeakPolarHBondContact OD1-CA 3.36Å; N66-M91 WeakPolarHBondContact OD1-CB 3.35Å; N66-Q92 WeakPolarHBondContact CB-O 3.5Å; N66-Q92 PolarHBondContact N-O 3.2Å; N66-Q92 PolarHBondContact OD1-N 2.85Å; N66-Q92 PolarHBondContact OD1-O 3.01Å; N66-L93 HydrophobicContact CB-CD2 4.49Å
67	A	88.6	Confident	89.6	Confident	33 Å²	33	49.1 Å²	49.1	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-55.9	-43.3	-175.1	0	0	0	0	0	112.8	I64 Q69 L70 L93	I64-A67 VanDerWaalsContact O-CB 3.28Å; I64-A67 WeakPolarHBondContact O-CB 3.29Å; I64-A67 PolarHBondContact O-N 3.38Å; A67-Q69 VanDerWaalsContact C-N 3.28Å; A67-Q69 PolarHBondContact O-N 3.46Å; A67-L70 WeakPolarHBondContact O-CB 3.46Å; A67-L70 PolarHBondContact O-N 3.15Å; A67-L93 HydrophobicContact CB-CD2 4.4Å
68	A	87.4	Confident	89.8	Confident	71 Å²	71	48 Å²	48	59%	0.587	28%	0.275	S	S	*	.	H	α-helix	trans	-67.1	-27.4	176.8	0	0	0	0	0	113.5	I64 N66	I64-A68 HydrophobicContact CD1-CB 4Å; N66-A68 VanDerWaalsContact C-N 3.32Å; N66-A68 PolarHBondContact O-N 2.72Å
69	Q	90.6	Very high	89.9	Confident	71 Å²	71	48.5 Å²	48.5	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-79	-23	-179.6	-63.7	172.4	-57.7	0	0	112.5	F59 N66 A67 G71 Y77	F59-Q69 PolarHBondContact O-OE1 3.34Å; N66-Q69 PolarHBondContact ND2-OE1 3.5Å; N66-Q69 WeakPolarHBondContact O-CB 3.43Å; N66-Q69 PolarHBondContact O-N 3.38Å; A67-Q69 VanDerWaalsContact C-N 3.28Å; A67-Q69 PolarHBondContact O-N 3.46Å; Q69-G71 VanDerWaalsContact C-N 3.26Å; Q69-G71 PolarHBondContact O-N 3.07Å; Q69-Y77 HydrophobicContact CB-CE2 3.9Å; Q69-Y77 WeakPolarHBondContact O-CD2 3.32Å; Q69-Y77 WeakPolarHBondContact O-CE2 3.43Å
70	L	86.4	Confident	90.2	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-34.4	-179.2	-162.3	67.7	0	0	0	111.9	N66 A67 P74 Y77 M91	N66-L70 PolarHBondContact O-N 3.46Å; A67-L70 WeakPolarHBondContact O-CB 3.46Å; A67-L70 PolarHBondContact O-N 3.15Å; L70-P74 HydrophobicContact CD1-CB 3.85Å; L70-P74 HydrophobicContact CD1-CG 4.49Å; L70-P74 HydrophobicContact CD2-CB 3.88Å; L70-P74 HydrophobicContact CD2-CG 3.81Å; L70-P74 HydrophobicContact CG-CB 3.68Å; L70-P74 HydrophobicContact CG-CG 3.78Å; L70-Y77 HydrophobicContact CD1-CD1 3.59Å; L70-Y77 HydrophobicContact CD1-CE1 4.16Å; L70-Y77 HydrophobicContact CD1-CG 4.24Å; L70-M91 HydrophobicContact CD1-CE 4.43Å; L70-M91 HydrophobicContact CD1-SD 4.35Å
71	G	86.3	Confident	90.6	Very high	47 Å²	47	50 Å²	50	49%	0.485	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-157.2	178.5	0	0	0	0	0	113.3	Q69	Q69-G71 VanDerWaalsContact C-N 3.26Å; Q69-G71 PolarHBondContact O-N 3.07Å
72	N	83.8	Confident	91	Very high	142 Å²	142	43.7 Å²	43.7	76%	0.759	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.3	-176.1	-61	-16.6	0	0	0	113.6	P74 Y505	N72-P74 VanDerWaalsContact C-CD 3.44Å; N72-Y505 WeakPolarHBondContact O-CB 3.32Å
73	T	89.9	Confident	91.6	Very high	44 Å²	44	49.6 Å²	49.6	27%	0.27	27%	0.271	S	S	.	.			trans	-130.8	68.4	177.1	51	0	0	0	0	111.6	H75 L76 Y77 Y503	T73-H75 VanDerWaalsContact C-N 3.26Å; T73-H75 PolarHBondContact O-N 3Å; T73-H75 VanDerWaalsContact O-N 3.15Å; T73-L76 HydrophobicContact CG2-CD1 4.28Å; T73-L76 PolarHBondContact O-N 2.88Å; T73-Y77 PolarHBondContact O-N 3.04Å; T73-Y503 HydrophobicContact CG2-CE2 4.23Å
74	P	92.5	Very high	92.3	Very high	9 Å²	9	51.5 Å²	51.5	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-47.4	-41	-179	-32.2	34.5	0	0	0	115.6	L70 N72 Y77 C78 L395 Y505	L70-P74 HydrophobicContact CD1-CB 3.85Å; L70-P74 HydrophobicContact CD1-CG 4.49Å; L70-P74 HydrophobicContact CD2-CB 3.88Å; L70-P74 HydrophobicContact CD2-CG 3.81Å; L70-P74 HydrophobicContact CG-CB 3.68Å; L70-P74 HydrophobicContact CG-CG 3.78Å; N72-P74 VanDerWaalsContact C-CD 3.44Å; P74-Y77 WeakPolarHBondContact O-CB 3.48Å; P74-Y77 PolarHBondContact O-N 3.27Å; P74-C78 WeakPolarHBondContact O-CB 3.33Å; P74-C78 PolarHBondContact O-N 3.48Å; P74-C78 PolarHBondContact O-SG 3.21Å; P74-L395 HydrophobicContact CB-CD1 4.11Å; P74-Y505 HydrophobicContact CB-CE2 4.46Å; P74-Y505 VanDerWaalsContact CD-CZ 3.45Å; P74-Y505 HydrophobicContact CG-CE1 3.81Å; P74-Y505 HydrophobicContact CG-CE2 4.08Å; P74-Y505 WeakPolarHBondContact CG-OH 3.36Å
75	H	94.5	Very high	92.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-41.7	179.6	58.1	-65.8	0	0	0	112.5	T73 C78 T79 P394 L395 N421 W423 Y503 Y505	T73-H75 VanDerWaalsContact C-N 3.26Å; T73-H75 PolarHBondContact O-N 3Å; T73-H75 VanDerWaalsContact O-N 3.15Å; H75-C78 PolarHBondContact O-N 2.88Å; H75-T79 PolarHBondContact O-N 2.88Å; H75-T79 PolarHBondContact O-OG1 3.38Å; H75-P394 HydrophobicContact CB-CB 3.69Å; H75-P394 HydrophobicContact CB-CG 4.26Å; H75-L395 HydrophobicContact CB-CD2 4.12Å; H75-L395 HydrophobicContact CB-CG 4.22Å; H75-N421 PolarHBondContact O-ND2 3.27Å; H75-W423 HydrophobicContact CB-CB 4.25Å; H75-W423 AromaticContact CD2-CD2 3.4Å; H75-W423 VanDerWaalsContact CD2-CD2 3.4Å; H75-W423 AromaticContact CD2-CE3 3.38Å; H75-W423 AromaticContact CD2-CG 3.72Å; H75-W423 AromaticContact NE2-CE3 3.68Å; H75-W423 AromaticContact NE2-CZ3 3.84Å; H75-Y503 AromaticContact CE1-CE2 3.82Å; H75-Y503 AromaticContact NE2-CE2 3.92Å; H75-Y503 AromaticContact NE2-CZ 3.7Å; H75-Y503 PolarHBondContact NE2-OH 3.34Å; H75-Y505 AromaticContact CE1-CD2 3.8Å; H75-Y505 AromaticContact ND1-CD2 3.76Å; H75-Y505 AromaticContact ND1-CE2 3.5Å; H75-Y505 WeakPolarHBondContact ND1-CE2 3.27Å
76	L	95.5	Very high	92.9	Very high	48 Å²	48	53 Å²	53	25%	0.251	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-38.6	174.6	-62.9	-176.6	0	0	0	111.4	T73 C78 T79 R80 W423	T73-L76 HydrophobicContact CG2-CD1 4.28Å; T73-L76 PolarHBondContact O-N 2.88Å; L76-C78 VanDerWaalsContact C-N 3.35Å; L76-T79 PolarHBondContact O-N 2.83Å; L76-R80 WeakPolarHBondContact O-CG 3.42Å; L76-R80 PolarHBondContact O-N 2.96Å; L76-R80 PolarHBondContact O-NH1 2.86Å; L76-W423 HydrophobicContact CD2-CD2 4.49Å; L76-W423 HydrophobicContact CD2-CZ2 4.07Å
77	Y	95.9	Very high	93.2	Very high	12 Å²	12	55.9 Å²	55.9	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-48.4	171.8	175.3	-92.8	0	0	0	111.1	Q69 L70 T73 P74 T79 R80 M81 M91	Q69-Y77 HydrophobicContact CB-CE2 3.9Å; Q69-Y77 WeakPolarHBondContact O-CD2 3.32Å; Q69-Y77 WeakPolarHBondContact O-CE2 3.43Å; L70-Y77 HydrophobicContact CD1-CD1 3.59Å; L70-Y77 HydrophobicContact CD1-CE1 4.16Å; L70-Y77 HydrophobicContact CD1-CG 4.24Å; T73-Y77 PolarHBondContact O-N 3.04Å; P74-Y77 WeakPolarHBondContact O-CB 3.48Å; P74-Y77 PolarHBondContact O-N 3.27Å; Y77-T79 VanDerWaalsContact C-N 3.34Å; Y77-T79 PolarHBondContact O-N 3.33Å; Y77-R80 PolarHBondContact O-N 2.94Å; Y77-R80 VanDerWaalsContact O-N 3.16Å; Y77-M81 HydrophobicContact CD1-CG 3.95Å; Y77-M81 HydrophobicContact CD2-CG 4.4Å; Y77-M81 HydrophobicContact CE1-CG 3.51Å; Y77-M81 HydrophobicContact CE1-SD 4.45Å; Y77-M81 HydrophobicContact CE2-CE 4.13Å; Y77-M81 HydrophobicContact CE2-CG 3.98Å; Y77-M81 HydrophobicContact CE2-SD 4.09Å; Y77-M81 HydrophobicContact CG-CG 4.4Å; Y77-M81 WeakPolarHBondContact O-CG 3.15Å; Y77-M81 PolarHBondContact O-N 3.26Å; Y77-M91 HydrophobicContact CE1-SD 4.41Å
78	C	96.6	Very high	93.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-44.7	177.3	-69.9	0	0	0	0	111.7	P74 H75 L76 R80 M81 A82 F89 V100	P74-C78 WeakPolarHBondContact O-CB 3.33Å; P74-C78 PolarHBondContact O-N 3.48Å; P74-C78 PolarHBondContact O-SG 3.21Å; H75-C78 PolarHBondContact O-N 2.88Å; L76-C78 VanDerWaalsContact C-N 3.35Å; C78-R80 PolarHBondContact O-N 3.48Å; C78-M81 PolarHBondContact O-N 2.84Å; C78-A82 WeakPolarHBondContact O-CB 3.13Å; C78-A82 PolarHBondContact O-N 2.85Å; C78-F89 HydrophobicContact CB-CZ 4.41Å; C78-V100 HydrophobicContact CB-CG1 3.95Å
79	T	96.3	Very high	94.1	Very high	20 Å²	20	51.1 Å²	51.1	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-41.9	175.6	-57.7	0	0	0	0	112	H75 L76 Y77 A82 R83 N421	H75-T79 PolarHBondContact O-N 2.88Å; H75-T79 PolarHBondContact O-OG1 3.38Å; L76-T79 PolarHBondContact O-N 2.83Å; Y77-T79 VanDerWaalsContact C-N 3.34Å; Y77-T79 PolarHBondContact O-N 3.33Å; T79-A82 PolarHBondContact O-N 3.3Å; T79-R83 PolarHBondContact O-N 2.66Å; T79-N421 PolarHBondContact N-ND2 2.89Å; T79-N421 PolarHBondContact OG1-ND2 2.76Å
80	R	96.6	Very high	94.3	Very high	117 Å²	117	48.8 Å²	48.8	44%	0.442	25%	0.247	S	C	.	.	H	α-helix	trans	-65.1	-40.3	175.2	-72	-170.4	-57.3	-86.6	3.2	112.2	L76 Y77 C78 A82 R83	L76-R80 WeakPolarHBondContact O-CG 3.42Å; L76-R80 PolarHBondContact O-N 2.96Å; L76-R80 PolarHBondContact O-NH1 2.86Å; Y77-R80 PolarHBondContact O-N 2.94Å; Y77-R80 VanDerWaalsContact O-N 3.16Å; C78-R80 PolarHBondContact O-N 3.48Å; R80-A82 VanDerWaalsContact C-N 3.35Å; R80-R83 PolarHBondContact O-N 3.12Å
81	M	97	Very high	94.7	Very high	30 Å²	30	47.7 Å²	47.7	15%	0.148	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-35.4	177.5	-68.8	-53.8	96.6	0	0	111.7	P58 Y77 C78 R83 K84 Y85 F89	P58-M81 HydrophobicContact CB-SD 4.3Å; P58-M81 HydrophobicContact CG-SD 4.46Å; Y77-M81 HydrophobicContact CD1-CG 3.95Å; Y77-M81 HydrophobicContact CD2-CG 4.4Å; Y77-M81 HydrophobicContact CE1-CG 3.51Å; Y77-M81 HydrophobicContact CE1-SD 4.45Å; Y77-M81 HydrophobicContact CE2-CE 4.13Å; Y77-M81 HydrophobicContact CE2-CG 3.98Å; Y77-M81 HydrophobicContact CE2-SD 4.09Å; Y77-M81 HydrophobicContact CG-CG 4.4Å; Y77-M81 WeakPolarHBondContact O-CG 3.15Å; Y77-M81 PolarHBondContact O-N 3.26Å; C78-M81 PolarHBondContact O-N 2.84Å; M81-R83 VanDerWaalsContact C-N 3.29Å; M81-R83 PolarHBondContact O-N 3.45Å; M81-K84 PolarHBondContact O-N 2.98Å; M81-Y85 HydrophobicContact CB-CD2 4.24Å; M81-Y85 PolarHBondContact O-N 3.2Å; M81-Y85 HydrophobicContact SD-CD2 4.19Å; M81-Y85 HydrophobicContact SD-CE2 3.71Å; M81-F89 HydrophobicContact CB-CD1 4.34Å; M81-F89 HydrophobicContact CB-CD2 4.35Å; M81-F89 HydrophobicContact CB-CE1 3.73Å; M81-F89 HydrophobicContact CB-CE2 3.77Å; M81-F89 HydrophobicContact CB-CZ 3.44Å; M81-F89 VanDerWaalsContact CB-CZ 3.44Å; M81-F89 HydrophobicContact CG-CE2 4.34Å; M81-F89 HydrophobicContact CG-CZ 4.28Å
82	A	96.6	Very high	95	Very high	9 Å²	9	47.4 Å²	47.4	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-38.3	175.1	0	0	0	0	0	112.2	C78 T79 R80 K84 G86 F89 N102	C78-A82 WeakPolarHBondContact O-CB 3.13Å; C78-A82 PolarHBondContact O-N 2.85Å; T79-A82 PolarHBondContact O-N 3.3Å; R80-A82 VanDerWaalsContact C-N 3.35Å; A82-K84 PolarHBondContact O-N 3.45Å; A82-G86 WeakPolarHBondContact CA-O 3.39Å; A82-G86 CarbonylContact O-C 3.54Å; A82-G86 VanDerWaalsContact O-C 3.29Å; A82-G86 WeakPolarHBondContact O-CA 3.36Å; A82-G86 PolarHBondContact O-N 3.05Å; A82-F89 HydrophobicContact CB-CE1 4.38Å; A82-N102 HydrophobicContact CB-CB 3.87Å
83	R	95.6	Very high	95.3	Very high	197 Å²	197	41.1 Å²	41.1	74%	0.743	19%	0.194	S	C	*	.	H	α-helix	trans	-63.9	-26	173.6	-65.1	176.6	-170.3	159.2	2.3	113.4	T79 R80 M81	T79-R83 PolarHBondContact O-N 2.66Å; R80-R83 PolarHBondContact O-N 3.12Å; M81-R83 VanDerWaalsContact C-N 3.29Å; M81-R83 PolarHBondContact O-N 3.45Å
84	K	96.6	Very high	95.3	Very high	146 Å²	146	39.4 Å²	39.4	64%	0.635	19%	0.185	S	C	*	.	H	α-helix	trans	-94.2	-39	-177.7	-176.4	172.3	179.4	176.8	0	113.4	M81 A82	M81-K84 PolarHBondContact O-N 2.98Å; A82-K84 PolarHBondContact O-N 3.45Å
85	Y	96.4	Very high	95	Very high	56 Å²	56	42.5 Å²	42.5	22%	0.22	21%	0.207	C	C	.	.	H	α-helix	trans	-114	-3.6	-171.4	-61.1	-63.4	0	0	0	113.3	P56 P58 M81	P56-Y85 HydrophobicContact CB-CD1 4.07Å; P56-Y85 HydrophobicContact CB-CG 4.43Å; P56-Y85 WeakPolarHBondContact CG-O 3.49Å; P58-Y85 HydrophobicContact CB-CE2 4.07Å; P58-Y85 HydrophobicContact CG-CE2 4.46Å; M81-Y85 HydrophobicContact CB-CD2 4.24Å; M81-Y85 PolarHBondContact O-N 3.2Å; M81-Y85 HydrophobicContact SD-CD2 4.19Å; M81-Y85 HydrophobicContact SD-CE2 3.71Å
86	G	96.4	Very high	94.8	Very high	33 Å²	33	46.8 Å²	46.8	34%	0.34	22%	0.223	S	C	.	.			trans	93.5	170.7	-175.4	0	0	0	0	0	113.2	A82 V88	A82-G86 WeakPolarHBondContact CA-O 3.39Å; A82-G86 CarbonylContact O-C 3.54Å; A82-G86 VanDerWaalsContact O-C 3.29Å; A82-G86 WeakPolarHBondContact O-CA 3.36Å; A82-G86 PolarHBondContact O-N 3.05Å; G86-V88 PolarHBondContact O-N 2.81Å; G86-V88 VanDerWaalsContact O-N 3.11Å
87	N	96.8	Very high	94.6	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	22%	0.219	S	C	.	.	S	Bend	trans	-64.6	-15.5	-174.9	-75.1	-16.5	0	0	0	114.5	N102 D104 A105	N87-N102 WeakPolarHBondContact CB-O 3.48Å; N87-N102 PolarHBondContact O-N 2.86Å; N87-D104 PolarHBondContact ND2-OD1 3.44Å; N87-A105 HydrophobicContact CB-CB 4.25Å
88	V	97.8	Very high	94.6	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.3	172.4	-172.9	0	0	0	0	108.3	L55 G86 V99 L101 A105 I407 M408 Y410	L55-V88 HydrophobicContact CD2-CB 4.48Å; L55-V88 HydrophobicContact CD2-CG1 3.63Å; G86-V88 PolarHBondContact O-N 2.81Å; G86-V88 VanDerWaalsContact O-N 3.11Å; V88-V99 HydrophobicContact CG1-CG1 3.93Å; V88-L101 HydrophobicContact CB-CD2 4.39Å; V88-L101 HydrophobicContact CG1-CD2 3.86Å; V88-L101 HydrophobicContact CG2-CD2 3.95Å; V88-A105 HydrophobicContact CG2-CB 3.46Å; V88-A105 VanDerWaalsContact CG2-CB 3.46Å; V88-I407 HydrophobicContact CG1-CG2 3.96Å; V88-I407 HydrophobicContact CG2-CG2 4.39Å; V88-M408 HydrophobicContact CG2-CB 3.99Å; V88-M408 HydrophobicContact CG2-CG 3.81Å; V88-Y410 HydrophobicContact CB-CD2 4.05Å; V88-Y410 HydrophobicContact CB-CE2 4.2Å; V88-Y410 HydrophobicContact CG1-CD2 4.06Å
89	F	97.2	Very high	94.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	162.9	175.3	73.3	-91.6	0	0	0	110.4	P56 C78 M81 A82 M91 V99 V100	P56-F89 CarbonylContact O-C 3.5Å; P56-F89 WeakPolarHBondContact O-CA 3.47Å; P56-F89 WeakPolarHBondContact O-CB 3.16Å; C78-F89 HydrophobicContact CB-CZ 4.41Å; M81-F89 HydrophobicContact CB-CD1 4.34Å; M81-F89 HydrophobicContact CB-CD2 4.35Å; M81-F89 HydrophobicContact CB-CE1 3.73Å; M81-F89 HydrophobicContact CB-CE2 3.77Å; M81-F89 HydrophobicContact CB-CZ 3.44Å; M81-F89 VanDerWaalsContact CB-CZ 3.44Å; M81-F89 HydrophobicContact CG-CE2 4.34Å; M81-F89 HydrophobicContact CG-CZ 4.28Å; A82-F89 HydrophobicContact CB-CE1 4.38Å; F89-M91 HydrophobicContact CE2-SD 4.42Å; F89-V99 WeakPolarHBondContact O-CA 3.36Å; F89-V100 HydrophobicContact CD1-CB 4.23Å; F89-V100 HydrophobicContact CD2-CG2 4.46Å; F89-V100 HydrophobicContact CE1-CB 3.72Å; F89-V100 HydrophobicContact CE1-CG1 3.97Å; F89-V100 HydrophobicContact CE1-CG2 4.3Å; F89-V100 HydrophobicContact CE2-CB 4.04Å; F89-V100 HydrophobicContact CE2-CG2 3.75Å; F89-V100 HydrophobicContact CZ-CB 3.59Å; F89-V100 HydrophobicContact CZ-CG1 3.94Å; F89-V100 HydrophobicContact CZ-CG2 3.64Å; F89-V100 PolarHBondContact N-O 2.84Å; F89-V100 PolarHBondContact O-N 3.43Å
90	Q	95.6	Very high	94.7	Very high	22 Å²	22	44.3 Å²	44.3	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	151.8	176.4	67.2	-180	-17.6	0	0	112.3	T52 L55 P56 G57 P58 V98 V99	T52-Q90 PolarHBondContact O-NE2 3.35Å; L55-Q90 HydrophobicContact CB-CB 4.16Å; L55-Q90 HydrophobicContact CB-CG 3.83Å; L55-Q90 HydrophobicContact CD1-CB 4.38Å; L55-Q90 PolarHBondContact O-NE2 2.79Å; P56-Q90 PolarHBondContact O-N 2.96Å; G57-Q90 VanDerWaalsContact CA-O 3.22Å; G57-Q90 WeakPolarHBondContact CA-O 3.41Å; P58-Q90 WeakPolarHBondContact CD-O 3.37Å; Q90-V98 CarbonylContact C-O 3.54Å; Q90-V98 VanDerWaalsContact CA-O 3.31Å; Q90-V98 WeakPolarHBondContact CA-O 3.37Å; Q90-V99 HydrophobicContact CB-CG2 4.3Å
91	M	94.4	Very high	94.8	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.7	169.7	61.2	-175.1	-180	0	0	109.7	P58 N66 L70 Y77 F89 L93 V98 V100 F419	P58-M91 HydrophobicContact CG-CB 4.33Å; N66-M91 HydrophobicContact CB-CB 4.23Å; N66-M91 WeakPolarHBondContact OD1-CA 3.36Å; N66-M91 WeakPolarHBondContact OD1-CB 3.35Å; L70-M91 HydrophobicContact CD1-CE 4.43Å; L70-M91 HydrophobicContact CD1-SD 4.35Å; Y77-M91 HydrophobicContact CE1-SD 4.41Å; F89-M91 HydrophobicContact CE2-SD 4.42Å; M91-L93 HydrophobicContact CE-CD1 4.13Å; M91-L93 HydrophobicContact CE-CG 4.43Å; M91-L93 HydrophobicContact SD-CD2 4.42Å; M91-V98 HydrophobicContact CE-CB 4.25Å; M91-V98 HydrophobicContact CE-CG1 3.88Å; M91-V98 HydrophobicContact CG-CB 4.1Å; M91-V98 PolarHBondContact N-O 3.48Å; M91-V98 PolarHBondContact O-N 2.72Å; M91-V100 HydrophobicContact CE-CG2 3.53Å; M91-V100 HydrophobicContact CG-CG2 4.24Å; M91-V100 HydrophobicContact SD-CG2 4.01Å; M91-F419 HydrophobicContact CE-CD2 3.54Å; M91-F419 HydrophobicContact CE-CE2 3.68Å
92	Q	92	Very high	94.9	Very high	40 Å²	40	37.4 Å²	37.4	19%	0.187	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.4	173.7	-173.8	68.9	44.3	0	0	108.1	A60 G65 N66 G94 R96 T97	A60-Q92 HydrophobicContact CB-CB 3.59Å; A60-Q92 HydrophobicContact CB-CG 4.34Å; G65-Q92 CarbonylContact C-O 3.59Å; G65-Q92 WeakPolarHBondContact CA-O 3.5Å; N66-Q92 WeakPolarHBondContact CB-O 3.5Å; N66-Q92 PolarHBondContact N-O 3.2Å; N66-Q92 PolarHBondContact OD1-N 2.85Å; N66-Q92 PolarHBondContact OD1-O 3.01Å; Q92-G94 WeakPolarHBondContact CG-O 3.28Å; Q92-G94 PolarHBondContact NE2-O 2.81Å; Q92-R96 VanDerWaalsContact NE2-N 3.18Å; Q92-R96 PolarHBondContact NE2-O 3.27Å; Q92-T97 PolarHBondContact OE1-OG1 2.86Å
93	L	91.9	Very high	94.8	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	111.4	168	-62	-175.2	0	0	0	107.6	N66 A67 M91 S95 R96 V98 V246 F419	N66-L93 HydrophobicContact CB-CD2 4.49Å; A67-L93 HydrophobicContact CB-CD2 4.4Å; M91-L93 HydrophobicContact CE-CD1 4.13Å; M91-L93 HydrophobicContact CE-CG 4.43Å; M91-L93 HydrophobicContact SD-CD2 4.42Å; L93-S95 PolarHBondContact O-N 3.3Å; L93-S95 VanDerWaalsContact O-N 3.1Å; L93-R96 PolarHBondContact N-O 3.1Å; L93-R96 PolarHBondContact O-N 2.68Å; L93-V98 HydrophobicContact CB-CG2 4.36Å; L93-V98 HydrophobicContact CD1-CG2 4Å; L93-V98 HydrophobicContact CG-CG2 4.08Å; L93-V246 HydrophobicContact CB-CB 3.98Å; L93-V246 HydrophobicContact CB-CG1 3.7Å; L93-V246 HydrophobicContact CB-CG2 4.37Å; L93-V246 HydrophobicContact CD1-CG1 4.36Å; L93-V246 WeakPolarHBondContact O-CB 3.43Å; L93-F419 HydrophobicContact CD1-CE2 3.99Å; L93-F419 HydrophobicContact CD1-CZ 4.03Å
94	G	89.8	Confident	94.7	Very high	8 Å²	8	32.1 Å²	32.1	8%	0.082	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-119	-173.5	0	0	0	0	0	111.8	V63 I64 Q92 V246	V63-G94 WeakPolarHBondContact O-CA 3.49Å; I64-G94 PolarHBondContact O-N 3.45Å; I64-G94 VanDerWaalsContact O-N 3.08Å; Q92-G94 WeakPolarHBondContact CG-O 3.28Å; Q92-G94 PolarHBondContact NE2-O 2.81Å; G94-V246 WeakPolarHBondContact CA-O 3.48Å
95	S	86.4	Confident	94.8	Very high	75 Å²	75	25.2 Å²	25.2	52%	0.524	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.6	177.4	63.6	0	0	0	0	115.1	L93 V246	L93-S95 PolarHBondContact O-N 3.3Å; L93-S95 VanDerWaalsContact O-N 3.1Å; S95-V246 PolarHBondContact N-O 3.16Å; S95-V246 PolarHBondContact OG-O 3.25Å
96	R	89.6	Confident	94.8	Very high	89 Å²	89	22.6 Å²	22.6	34%	0.336	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.1	-174.8	-60.2	-64.4	-168.3	168.9	4.3	112.5	Q92 L93 D122 V246	Q92-R96 VanDerWaalsContact NE2-N 3.18Å; Q92-R96 PolarHBondContact NE2-O 3.27Å; L93-R96 PolarHBondContact N-O 3.1Å; L93-R96 PolarHBondContact O-N 2.68Å; R96-D122 PolarHBondContact NH2-O 2.65Å; R96-D122 VanDerWaalsContact NH2-O 3.13Å; R96-V246 HydrophobicContact CB-CG1 4.44Å; R96-V246 HydrophobicContact CG-CG1 4.43Å
97	T	91.4	Very high	94.8	Very high	29 Å²	29	26.6 Å²	26.6	18%	0.178	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128	166.7	-52.6	0	0	0	0	109.2	G50 Q92	G50-T97 PolarHBondContact O-OG1 2.76Å; Q92-T97 PolarHBondContact OE1-OG1 2.86Å
98	V	95	Very high	94.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.6	-179.3	-178	0	0	0	0	109.1	Q90 M91 L93 V100 V417 F419	Q90-V98 CarbonylContact C-O 3.54Å; Q90-V98 VanDerWaalsContact CA-O 3.31Å; Q90-V98 WeakPolarHBondContact CA-O 3.37Å; M91-V98 HydrophobicContact CE-CB 4.25Å; M91-V98 HydrophobicContact CE-CG1 3.88Å; M91-V98 HydrophobicContact CG-CB 4.1Å; M91-V98 PolarHBondContact N-O 3.48Å; M91-V98 PolarHBondContact O-N 2.72Å; L93-V98 HydrophobicContact CB-CG2 4.36Å; L93-V98 HydrophobicContact CD1-CG2 4Å; L93-V98 HydrophobicContact CG-CG2 4.08Å; V98-V100 HydrophobicContact CG1-CG2 4.46Å; V98-V417 CarbonylContact C-O 3.4Å; V98-V417 WeakPolarHBondContact CA-O 3.09Å; V98-V417 HydrophobicContact CG1-CG1 4.23Å; V98-V417 HydrophobicContact CG2-CB 4.13Å; V98-V417 HydrophobicContact CG2-CG1 4.07Å; V98-F419 HydrophobicContact CG1-CB 4.21Å; V98-F419 HydrophobicContact CG1-CD1 3.66Å; V98-F419 HydrophobicContact CG1-CD2 3.83Å; V98-F419 HydrophobicContact CG1-CE1 3.91Å; V98-F419 HydrophobicContact CG1-CE2 4.08Å; V98-F419 HydrophobicContact CG1-CG 3.62Å; V98-F419 HydrophobicContact CG1-CZ 4.12Å
99	V	97.6	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.7	169.6	175.9	0	0	0	0	108.6	L55 V88 F89 Q90 L101 I412 T416 V417 I418 F419	L55-V99 HydrophobicContact CD1-CG1 4.36Å; L55-V99 HydrophobicContact CD1-CG2 3.67Å; V88-V99 HydrophobicContact CG1-CG1 3.93Å; F89-V99 WeakPolarHBondContact O-CA 3.36Å; Q90-V99 HydrophobicContact CB-CG2 4.3Å; V99-L101 HydrophobicContact CG1-CD2 4.04Å; V99-I412 HydrophobicContact CG1-CD1 4.33Å; V99-I412 HydrophobicContact CG2-CD1 4.35Å; V99-T416 HydrophobicContact CB-CG2 4.32Å; V99-T416 HydrophobicContact CG2-CG2 3.65Å; V99-V417 PolarHBondContact N-O 2.88Å; V99-I418 HydrophobicContact CB-CD1 3.76Å; V99-I418 HydrophobicContact CG1-CD1 4.33Å; V99-I418 HydrophobicContact CG2-CD1 4.46Å; V99-I418 CarbonylContact O-C 3.29Å; V99-I418 VanDerWaalsContact O-CA 3.29Å; V99-I418 WeakPolarHBondContact O-CA 3.12Å; V99-F419 PolarHBondContact O-N 3Å
100	V	98.1	Very high	94.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.4	-179.2	-169.2	0	0	0	0	109.1	C78 F89 M91 V98 N102 F419	C78-V100 HydrophobicContact CB-CG1 3.95Å; F89-V100 HydrophobicContact CD1-CB 4.23Å; F89-V100 HydrophobicContact CD2-CG2 4.46Å; F89-V100 HydrophobicContact CE1-CB 3.72Å; F89-V100 HydrophobicContact CE1-CG1 3.97Å; F89-V100 HydrophobicContact CE1-CG2 4.3Å; F89-V100 HydrophobicContact CE2-CB 4.04Å; F89-V100 HydrophobicContact CE2-CG2 3.75Å; F89-V100 HydrophobicContact CZ-CB 3.59Å; F89-V100 HydrophobicContact CZ-CG1 3.94Å; F89-V100 HydrophobicContact CZ-CG2 3.64Å; F89-V100 PolarHBondContact N-O 2.84Å; F89-V100 PolarHBondContact O-N 3.43Å; M91-V100 HydrophobicContact CE-CG2 3.53Å; M91-V100 HydrophobicContact CG-CG2 4.24Å; M91-V100 HydrophobicContact SD-CG2 4.01Å; V98-V100 HydrophobicContact CG1-CG2 4.46Å; V100-N102 WeakPolarHBondContact CG1-ND2 3.4Å; V100-F419 WeakPolarHBondContact CA-O 3.46Å; V100-F419 HydrophobicContact CG1-CB 4.29Å; V100-F419 HydrophobicContact CG2-CB 4.32Å
101	L	98.4	Very high	94.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.5	174.1	-51.4	-173.2	0	0	0	109.7	V88 V99 I106 A109 F117 I407 I418 F419 I420 N421	V88-L101 HydrophobicContact CB-CD2 4.39Å; V88-L101 HydrophobicContact CG1-CD2 3.86Å; V88-L101 HydrophobicContact CG2-CD2 3.95Å; V99-L101 HydrophobicContact CG1-CD2 4.04Å; L101-I106 HydrophobicContact CB-CG1 4.02Å; L101-A109 HydrophobicContact CD1-CB 3.43Å; L101-A109 VanDerWaalsContact CD1-CB 3.43Å; L101-F117 HydrophobicContact CD1-CE1 4.26Å; L101-I407 HydrophobicContact CD2-CG2 4.22Å; L101-I418 HydrophobicContact CD1-CG2 3.8Å; L101-I418 HydrophobicContact CG-CG2 3.82Å; L101-F419 PolarHBondContact N-O 2.83Å; L101-I420 HydrophobicContact CB-CD1 4Å; L101-I420 HydrophobicContact CD1-CD1 3.71Å; L101-I420 HydrophobicContact CG-CD1 4.1Å; L101-N421 PolarHBondContact O-N 3.08Å
102	N	98.3	Very high	94.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.181	C	C	.	.			trans	-127.7	161.7	177.7	-57.9	-98.4	0	0	0	109	A82 N87 V100 D104 A105 N421 S424	A82-N102 HydrophobicContact CB-CB 3.87Å; N87-N102 WeakPolarHBondContact CB-O 3.48Å; N87-N102 PolarHBondContact O-N 2.86Å; V100-N102 WeakPolarHBondContact CG1-ND2 3.4Å; N102-D104 PolarHBondContact O-N 3.26Å; N102-A105 WeakPolarHBondContact O-CB 3.22Å; N102-A105 PolarHBondContact O-N 3.07Å; N102-N421 VanDerWaalsContact OD1-CB 3.24Å; N102-N421 WeakPolarHBondContact OD1-CB 3.43Å; N102-N421 PolarHBondContact OD1-ND2 3.49Å; N102-S424 VanDerWaalsContact CA-OG 3.32Å; N102-S424 WeakPolarHBondContact CA-OG 3.24Å; N102-S424 WeakPolarHBondContact CB-OG 3.21Å
103	G	95.8	Very high	95.1	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	50.4	-137.8	169.9	0	0	0	0	0	114.1	A105 I106 S424 I425	G103-A105 PolarHBondContact O-N 3.49Å; G103-A105 VanDerWaalsContact O-N 3.07Å; G103-I106 PolarHBondContact O-N 3.18Å; G103-I106 VanDerWaalsContact O-N 3.15Å; G103-S424 PolarHBondContact N-OG 3.24Å; G103-I425 WeakPolarHBondContact O-CD1 3.29Å
104	D	94.1	Very high	95.3	Very high	93 Å²	93	37 Å²	37	50%	0.497	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-59.2	-19.1	-176	67.7	-12.4	0	0	0	115.4	N87 N102 I106 P108	N87-D104 PolarHBondContact ND2-OD1 3.44Å; N102-D104 PolarHBondContact O-N 3.26Å; D104-I106 VanDerWaalsContact C-N 3.3Å; D104-I106 PolarHBondContact O-N 2.84Å; D104-P108 WeakPolarHBondContact O-CD 3.31Å; D104-P108 WeakPolarHBondContact O-CG 3.3Å
105	A	97	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-71.4	-22.7	177.9	0	0	0	0	0	113.4	N87 V88 N102 G103 A109 M408	N87-A105 HydrophobicContact CB-CB 4.25Å; V88-A105 HydrophobicContact CG2-CB 3.46Å; V88-A105 VanDerWaalsContact CG2-CB 3.46Å; N102-A105 WeakPolarHBondContact O-CB 3.22Å; N102-A105 PolarHBondContact O-N 3.07Å; G103-A105 PolarHBondContact O-N 3.49Å; G103-A105 VanDerWaalsContact O-N 3.07Å; A105-A109 PolarHBondContact O-N 2.97Å; A105-M408 HydrophobicContact CB-CG 3.94Å
106	I	97.8	Very high	96.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-68.5	-47.1	-174.7	-64.9	174.2	0	0	0	111.5	L101 G103 D104 A109 L110 I420 N421 I425 L459	L101-I106 HydrophobicContact CB-CG1 4.02Å; G103-I106 PolarHBondContact O-N 3.18Å; G103-I106 VanDerWaalsContact O-N 3.15Å; D104-I106 VanDerWaalsContact C-N 3.3Å; D104-I106 PolarHBondContact O-N 2.84Å; I106-A109 PolarHBondContact O-N 3.08Å; I106-L110 HydrophobicContact CG2-CD1 3.78Å; I106-L110 HydrophobicContact CG2-CG 4.26Å; I106-L110 WeakPolarHBondContact O-CG 3.5Å; I106-L110 PolarHBondContact O-N 3.13Å; I106-I420 HydrophobicContact CB-CG2 4.45Å; I106-I420 HydrophobicContact CD1-CG2 3.86Å; I106-I420 HydrophobicContact CG1-CG2 4.01Å; I106-I420 HydrophobicContact CG2-CG2 3.62Å; I106-N421 WeakPolarHBondContact CD1-O 3.48Å; I106-I425 HydrophobicContact CD1-CG1 3.92Å; I106-L459 HydrophobicContact CD1-CD2 4.32Å; I106-L459 HydrophobicContact CG2-CD2 4Å
107	R	96.3	Very high	96.5	Very high	116 Å²	116	35.4 Å²	35.4	44%	0.438	17%	0.174	S	C	.	.	H	α-helix	trans	-65.3	-46.1	-173.6	-172.8	-175.7	-67	-86.3	4.9	112.4	A109 I111 N457 L463	R107-A109 PolarHBondContact O-N 3.34Å; R107-I111 HydrophobicContact CG-CD1 3.64Å; R107-I111 HydrophobicContact CG-CG1 4.16Å; R107-I111 VanDerWaalsContact O-CB 3.27Å; R107-I111 WeakPolarHBondContact O-CB 3.31Å; R107-I111 PolarHBondContact O-N 3.28Å; R107-N457 PolarHBondContact NH2-OD1 3.45Å; R107-L463 HydrophobicContact CB-CD1 4.45Å; R107-L463 HydrophobicContact CG-CD1 4.41Å
108	P	97.1	Very high	96.7	Very high	32 Å²	32	34.1 Å²	34.1	21%	0.208	17%	0.167	C	C	.	.	I	π-helix	trans	-58.4	-43.9	173.6	-24.1	34.3	0	0	0	112.8	D104 K112 Q113 I407	D104-P108 WeakPolarHBondContact O-CD 3.31Å; D104-P108 WeakPolarHBondContact O-CG 3.3Å; P108-K112 HydrophobicContact CB-CD 4.33Å; P108-K112 WeakPolarHBondContact O-CA 3.42Å; P108-K112 WeakPolarHBondContact O-CB 3.26Å; P108-K112 PolarHBondContact O-N 3.05Å; P108-Q113 PolarHBondContact O-N 3.49Å; P108-I407 HydrophobicContact CB-CD1 3.94Å
109	A	97.6	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-63.1	-48.8	-179.9	0	0	0	0	0	112.2	L101 A105 I106 R107 Q113 G114 F117 I407	L101-A109 HydrophobicContact CD1-CB 3.43Å; L101-A109 VanDerWaalsContact CD1-CB 3.43Å; A105-A109 PolarHBondContact O-N 2.97Å; I106-A109 PolarHBondContact O-N 3.08Å; R107-A109 PolarHBondContact O-N 3.34Å; A109-Q113 CarbonylContact O-C 3.58Å; A109-G114 PolarHBondContact O-N 3.37Å; A109-F117 HydrophobicContact CB-CD1 4.18Å; A109-F117 HydrophobicContact CB-CD2 3.99Å; A109-F117 HydrophobicContact CB-CE1 4.24Å; A109-F117 HydrophobicContact CB-CE2 4.06Å; A109-F117 HydrophobicContact CB-CG 4.07Å; A109-F117 HydrophobicContact CB-CZ 4.19Å; A109-F117 WeakPolarHBondContact O-CD2 3.22Å; A109-I407 HydrophobicContact CB-CD1 3.92Å; A109-I407 HydrophobicContact CB-CG1 4.29Å
110	L	97.5	Very high	96.8	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.17	C	C	.	.	I	π-helix	trans	-83.3	-27.2	-173.5	-61.3	-172.9	0	0	0	113.9	I106 G114 F117 I420 L463 G464	I106-L110 HydrophobicContact CG2-CD1 3.78Å; I106-L110 HydrophobicContact CG2-CG 4.26Å; I106-L110 WeakPolarHBondContact O-CG 3.5Å; I106-L110 PolarHBondContact O-N 3.13Å; L110-G114 WeakPolarHBondContact O-CA 3.34Å; L110-F117 HydrophobicContact CD2-CB 4.33Å; L110-I420 HydrophobicContact CD1-CD1 4.41Å; L110-I420 HydrophobicContact CD1-CG1 4.3Å; L110-I420 HydrophobicContact CD1-CG2 4.15Å; L110-I420 HydrophobicContact CD2-CD1 4.08Å; L110-I420 HydrophobicContact CD2-CG1 4.35Å; L110-I420 HydrophobicContact CG-CD1 4.36Å; L110-L463 HydrophobicContact CB-CB 3.93Å; L110-L463 HydrophobicContact CD1-CB 4.09Å; L110-G464 VanDerWaalsContact O-CA 3.25Å; L110-G464 WeakPolarHBondContact O-CA 3.49Å
111	I	96.4	Very high	96.6	Very high	85 Å²	85	35.4 Å²	35.4	44%	0.436	17%	0.173	S	C	.	.	I	π-helix	trans	-100.2	-62.7	-179.2	-55.3	-171.2	0	0	0	111.1	R107 G114 L463	R107-I111 HydrophobicContact CG-CD1 3.64Å; R107-I111 HydrophobicContact CG-CG1 4.16Å; R107-I111 VanDerWaalsContact O-CB 3.27Å; R107-I111 WeakPolarHBondContact O-CB 3.31Å; R107-I111 PolarHBondContact O-N 3.28Å; I111-G114 PolarHBondContact O-N 2.89Å; I111-L463 HydrophobicContact CD1-CD1 4.23Å; I111-L463 HydrophobicContact CG1-CB 4.19Å; I111-L463 HydrophobicContact CG1-CD1 4.44Å
112	K	95.4	Very high	96.3	Very high	181 Å²	181	41 Å²	41	79%	0.787	20%	0.202	S	C	*	.	I	π-helix	trans	-67.7	-44.4	-173.5	-60.9	-177.1	178.3	-178.8	0	111.3	P108	P108-K112 HydrophobicContact CB-CD 4.33Å; P108-K112 WeakPolarHBondContact O-CA 3.42Å; P108-K112 WeakPolarHBondContact O-CB 3.26Å; P108-K112 PolarHBondContact O-N 3.05Å
113	Q	96.6	Very high	96	Very high	50 Å²	50	41.4 Å²	41.4	23%	0.234	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	28	177.9	-66.6	167.2	-19.8	0	0	111.6	P108 A109 L115 D116 F117 S406	P108-Q113 PolarHBondContact O-N 3.49Å; A109-Q113 CarbonylContact O-C 3.58Å; Q113-L115 PolarHBondContact O-N 3.3Å; Q113-D116 HydrophobicContact CB-CB 4.33Å; Q113-D116 WeakPolarHBondContact O-CB 3.22Å; Q113-D116 PolarHBondContact O-N 2.94Å; Q113-F117 HydrophobicContact CB-CD2 3.85Å; Q113-F117 HydrophobicContact CB-CE2 3.93Å; Q113-F117 PolarHBondContact O-N 3.38Å; Q113-S406 VanDerWaalsContact CD-O 3.26Å; Q113-S406 PolarHBondContact NE2-O 3.39Å; Q113-S406 PolarHBondContact OE1-O 3.49Å
114	G	94.9	Very high	95.8	Very high	8 Å²	8	42.6 Å²	42.6	8%	0.082	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.8	-166.7	0	0	0	0	0	115.3	A109 L110 I111 A118 R465	A109-G114 PolarHBondContact O-N 3.37Å; L110-G114 WeakPolarHBondContact O-CA 3.34Å; I111-G114 PolarHBondContact O-N 2.89Å; G114-A118 VanDerWaalsContact O-CB 3.28Å; G114-A118 WeakPolarHBondContact O-CB 3.24Å; G114-A118 PolarHBondContact O-N 3.05Å; G114-R465 VanDerWaalsContact O-CG 3.31Å; G114-R465 WeakPolarHBondContact O-CG 3.22Å
115	L	95	Very high	95.7	Very high	94 Å²	94	38.5 Å²	38.5	49%	0.492	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-43	172.6	-72.3	174.3	0	0	0	111.8	Q113 F117 A118 V402 R465	Q113-L115 PolarHBondContact O-N 3.3Å; L115-F117 VanDerWaalsContact C-N 3.25Å; L115-F117 PolarHBondContact O-N 2.81Å; L115-A118 WeakPolarHBondContact O-CB 3.25Å; L115-A118 PolarHBondContact O-N 2.91Å; L115-A118 VanDerWaalsContact O-N 3.15Å; L115-V402 VanDerWaalsContact O-CG2 3.24Å; L115-V402 WeakPolarHBondContact O-CG2 3.2Å; L115-R465 HydrophobicContact CD2-CG 4.26Å
116	D	97.6	Very high	95.4	Very high	43 Å²	43	39.6 Å²	39.6	23%	0.23	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-40.5	179.6	-57.3	-0	0	0	0	110.7	Q113 T401 V402 T403 T405	Q113-D116 HydrophobicContact CB-CB 4.33Å; Q113-D116 WeakPolarHBondContact O-CB 3.22Å; Q113-D116 PolarHBondContact O-N 2.94Å; D116-T401 CarbonylContact O-C 3.45Å; D116-T401 WeakPolarHBondContact O-CA 3.05Å; D116-V402 PolarHBondContact O-N 3.48Å; D116-T403 HydrophobicContact CB-CG2 4.19Å; D116-T405 HydrophobicContact CB-CG2 4.18Å; D116-T405 WeakPolarHBondContact OD2-CB 3.29Å; D116-T405 PolarHBondContact OD2-OG1 2.74Å
117	F	97.9	Very high	95.1	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	8.9	-179	-69.1	-93.4	0	0	0	113.9	L101 A109 L110 Q113 L115 G119 H399 T401 T405 I407 I418	L101-F117 HydrophobicContact CD1-CE1 4.26Å; A109-F117 HydrophobicContact CB-CD1 4.18Å; A109-F117 HydrophobicContact CB-CD2 3.99Å; A109-F117 HydrophobicContact CB-CE1 4.24Å; A109-F117 HydrophobicContact CB-CE2 4.06Å; A109-F117 HydrophobicContact CB-CG 4.07Å; A109-F117 HydrophobicContact CB-CZ 4.19Å; A109-F117 WeakPolarHBondContact O-CD2 3.22Å; L110-F117 HydrophobicContact CD2-CB 4.33Å; Q113-F117 HydrophobicContact CB-CD2 3.85Å; Q113-F117 HydrophobicContact CB-CE2 3.93Å; Q113-F117 PolarHBondContact O-N 3.38Å; L115-F117 VanDerWaalsContact C-N 3.25Å; L115-F117 PolarHBondContact O-N 2.81Å; F117-G119 VanDerWaalsContact C-N 3.33Å; F117-G119 PolarHBondContact O-N 3.33Å; F117-H399 PolarHBondContact O-ND1 3.43Å; F117-T401 HydrophobicContact CD1-CG2 4.13Å; F117-T401 HydrophobicContact CE1-CG2 3.93Å; F117-T401 HydrophobicContact CZ-CG2 4.35Å; F117-T405 HydrophobicContact CE2-CG2 3.73Å; F117-T405 HydrophobicContact CZ-CG2 3.74Å; F117-I407 HydrophobicContact CZ-CB 4.14Å; F117-I407 HydrophobicContact CZ-CG2 4.41Å; F117-I418 HydrophobicContact CD1-CD1 4.48Å; F117-I418 HydrophobicContact CD1-CG1 3.92Å; F117-I418 HydrophobicContact CD1-CG2 4.23Å; F117-I418 HydrophobicContact CE1-CD1 4.11Å; F117-I418 HydrophobicContact CE1-CG1 4.05Å; F117-I418 HydrophobicContact CE1-CG2 4.44Å
118	A	97	Very high	94.9	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	21%	0.211	C	C	.	.			trans	-80.6	-7.7	-176.1	0	0	0	0	0	114.3	G114 L115 V140 R465 R466	G114-A118 VanDerWaalsContact O-CB 3.28Å; G114-A118 WeakPolarHBondContact O-CB 3.24Å; G114-A118 PolarHBondContact O-N 3.05Å; L115-A118 WeakPolarHBondContact O-CB 3.25Å; L115-A118 PolarHBondContact O-N 2.91Å; L115-A118 VanDerWaalsContact O-N 3.15Å; A118-V140 VanDerWaalsContact C-CG2 3.48Å; A118-V140 HydrophobicContact CB-CG2 3.58Å; A118-V140 WeakPolarHBondContact O-CG2 3.41Å; A118-R465 HydrophobicContact CB-CB 3.91Å; A118-R465 HydrophobicContact CB-CG 4.33Å; A118-R466 PolarHBondContact O-NE 2.98Å; A118-R466 PolarHBondContact O-NH2 3.39Å
119	G	97.3	Very high	94.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-67.8	168.5	-176.8	0	0	0	0	0	113.7	F117 H399 S400	F117-G119 VanDerWaalsContact C-N 3.33Å; F117-G119 PolarHBondContact O-N 3.33Å; G119-H399 CarbonylContact O-C 3.28Å; G119-H399 WeakPolarHBondContact O-CA 3.27Å; G119-S400 CarbonylContact C-O 3.12Å; G119-S400 WeakPolarHBondContact CA-O 3.4Å; G119-S400 PolarHBondContact N-O 3.19Å; G119-S400 PolarHBondContact O-N 2.97Å
120	R	96.4	Very high	94.1	Very high	19 Å²	19	42.4 Å²	42.4	7%	0.072	21%	0.211	C	C	.	.			trans	-117.7	144.6	164.8	-70.1	-65	-167.5	-153.9	-0.3	109.5	F126 A136 F137 G138 T139 I397 P398	R120-F126 HydrophobicContact CB-CE2 4.43Å; R120-A136 PolarHBondContact NE-O 2.91Å; R120-A136 PolarHBondContact NH2-O 2.91Å; R120-A136 VanDerWaalsContact NH2-O 3.09Å; R120-F137 VanDerWaalsContact CB-O 3.22Å; R120-F137 WeakPolarHBondContact CB-O 3.12Å; R120-F137 WeakPolarHBondContact CG-O 3.26Å; R120-G138 VanDerWaalsContact CG-O 3.31Å; R120-G138 WeakPolarHBondContact CG-O 3.15Å; R120-T139 PolarHBondContact N-OG1 2.9Å; R120-T139 PolarHBondContact O-OG1 2.96Å; R120-I397 VanDerWaalsContact NH1-C 3.35Å; R120-I397 PolarHBondContact NH1-O 2.9Å; R120-P398 WeakPolarHBondContact CD-O 3.5Å; R120-P398 PolarHBondContact NH1-O 3.32Å
121	P	94.8	Very high	93.6	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.058	24%	0.243	C	C	.	.			trans	-60.5	147.9	171.8	-24.7	35.7	0	0	0	111.5	F123 P398 H399 V417	P121-F123 HydrophobicContact CB-CD1 3.5Å; P121-F123 HydrophobicContact CB-CD2 4Å; P121-F123 HydrophobicContact CB-CE1 3.47Å; P121-F123 VanDerWaalsContact CB-CE1 3.47Å; P121-F123 HydrophobicContact CB-CE2 3.96Å; P121-F123 HydrophobicContact CB-CG 3.79Å; P121-F123 HydrophobicContact CB-CZ 3.71Å; P121-F123 HydrophobicContact CG-CD2 4.41Å; P121-F123 HydrophobicContact CG-CE1 4.24Å; P121-F123 HydrophobicContact CG-CE2 4.05Å; P121-F123 HydrophobicContact CG-CZ 3.97Å; P121-F123 PolarHBondContact O-N 3.5Å; P121-P398 WeakPolarHBondContact CD-O 3.22Å; P121-P398 HydrophobicContact CG-CB 3.95Å; P121-H399 WeakPolarHBondContact CG-O 3.24Å; P121-V417 HydrophobicContact CB-CG2 3.96Å; P121-V417 HydrophobicContact CG-CB 4.3Å; P121-V417 HydrophobicContact CG-CG1 3.83Å; P121-V417 HydrophobicContact CG-CG2 3.92Å
122	D	91.9	Very high	93.3	Very high	116 Å²	116	46.3 Å²	46.3	62%	0.62	24%	0.243	S	C	*	.			trans	-79.3	78	169.6	-175.4	26.1	0	0	0	109.5	R96 Q127	R96-D122 PolarHBondContact NH2-O 2.65Å; R96-D122 VanDerWaalsContact NH2-O 3.13Å; D122-Q127 PolarHBondContact OD1-NE2 3.13Å; D122-Q127 VanDerWaalsContact OD1-NE2 3.16Å
123	F	92.3	Very high	93	Very high	10 Å²	10	41.3 Å²	41.3	4%	0.044	22%	0.222	C	C	.	.			trans	-96.7	133.9	-179	-82.4	-0.9	0	0	0	110.1	P121 S125 F126 D245 P398 V417	P121-F123 HydrophobicContact CB-CD1 3.5Å; P121-F123 HydrophobicContact CB-CD2 4Å; P121-F123 HydrophobicContact CB-CE1 3.47Å; P121-F123 VanDerWaalsContact CB-CE1 3.47Å; P121-F123 HydrophobicContact CB-CE2 3.96Å; P121-F123 HydrophobicContact CB-CG 3.79Å; P121-F123 HydrophobicContact CB-CZ 3.71Å; P121-F123 HydrophobicContact CG-CD2 4.41Å; P121-F123 HydrophobicContact CG-CE1 4.24Å; P121-F123 HydrophobicContact CG-CE2 4.05Å; P121-F123 HydrophobicContact CG-CZ 3.97Å; P121-F123 PolarHBondContact O-N 3.5Å; F123-S125 PolarHBondContact O-N 3.33Å; F123-F126 HydrophobicContact CB-CB 4.37Å; F123-F126 HydrophobicContact CB-CD1 4.15Å; F123-F126 HydrophobicContact CB-CD2 3.92Å; F123-F126 HydrophobicContact CB-CE1 4.41Å; F123-F126 HydrophobicContact CB-CE2 4.21Å; F123-F126 HydrophobicContact CB-CG 3.89Å; F123-F126 HydrophobicContact CB-CZ 4.44Å; F123-F126 HydrophobicContact CD2-CD2 4.49Å; F123-F126 HydrophobicContact CD2-CE1 4.04Å; F123-F126 AromaticContact CD2-CE2 3.94Å; F123-F126 HydrophobicContact CD2-CE2 3.94Å; F123-F126 AromaticContact CD2-CZ 3.68Å; F123-F126 HydrophobicContact CD2-CZ 3.68Å; F123-F126 HydrophobicContact CE2-CZ 4.44Å; F123-F126 HydrophobicContact CG-CE2 4.42Å; F123-F126 WeakPolarHBondContact O-CB 3.11Å; F123-F126 PolarHBondContact O-N 3.44Å; F123-F126 VanDerWaalsContact O-N 3.13Å; F123-D245 HydrophobicContact CB-CB 4.05Å; F123-D245 VanDerWaalsContact CB-CG 3.44Å; F123-D245 VanDerWaalsContact CB-OD1 3.32Å; F123-D245 WeakPolarHBondContact CB-OD1 3.49Å; F123-D245 HydrophobicContact CD1-CB 3.75Å; F123-D245 HydrophobicContact CD2-CB 3.78Å; F123-D245 WeakPolarHBondContact CD2-OD2 3.42Å; F123-D245 HydrophobicContact CE1-CB 4.08Å; F123-D245 HydrophobicContact CE2-CB 4.12Å; F123-D245 HydrophobicContact CG-CB 3.58Å; F123-D245 VanDerWaalsContact CG-CG 3.48Å; F123-D245 HydrophobicContact CZ-CB 4.26Å; F123-P398 HydrophobicContact CE2-CB 4.12Å; F123-P398 HydrophobicContact CE2-CG 4.12Å; F123-V417 HydrophobicContact CE1-CG2 4.12Å; F123-V417 HydrophobicContact CZ-CG1 4.01Å; F123-V417 HydrophobicContact CZ-CG2 4.18Å
124	T	91.4	Very high	92.8	Very high	29 Å²	29	39.1 Å²	39.1	18%	0.178	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-38.8	-179.5	-51.9	0	0	0	0	110.8	F126 Q127 F128 V244 D245 F261	T124-F126 VanDerWaalsContact C-N 3.28Å; T124-F126 PolarHBondContact O-N 2.93Å; T124-Q127 PolarHBondContact O-N 3.49Å; T124-F128 HydrophobicContact CG2-CE2 4.05Å; T124-F128 VanDerWaalsContact O-CD2 3.25Å; T124-F128 WeakPolarHBondContact O-CD2 3.48Å; T124-V244 HydrophobicContact CG2-CG1 4.41Å; T124-D245 PolarHBondContact N-OD1 2.82Å; T124-D245 VanDerWaalsContact N-OD1 3.08Å; T124-F261 HydrophobicContact CG2-CE1 4.26Å; T124-F261 HydrophobicContact CG2-CZ 4Å
125	S	91.1	Very high	92.8	Very high	7 Å²	7	39.2 Å²	39.2	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-37.8	178.4	71.6	0	0	0	0	112.3	F123 Q127 F128 D245 F264	F123-S125 PolarHBondContact O-N 3.33Å; S125-Q127 VanDerWaalsContact C-N 3.26Å; S125-Q127 PolarHBondContact O-N 3.09Å; S125-F128 PolarHBondContact O-N 3.11Å; S125-D245 WeakPolarHBondContact CB-OD1 3.25Å; S125-D245 WeakPolarHBondContact CB-OD2 3.4Å; S125-D245 PolarHBondContact N-OD1 2.79Å; S125-D245 PolarHBondContact OG-OD1 2.72Å; S125-D245 VanDerWaalsContact OG-OD1 3.1Å; S125-D245 PolarHBondContact OG-OD2 3.36Å; S125-F264 WeakPolarHBondContact O-CE1 3.37Å
126	F	91.8	Very high	92.7	Very high	23 Å²	23	35.9 Å²	35.9	10%	0.101	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-27.2	-177.5	-68	1.9	0	0	0	112.5	R120 F123 T124 F128 I129 F137 I397	R120-F126 HydrophobicContact CB-CE2 4.43Å; F123-F126 HydrophobicContact CB-CB 4.37Å; F123-F126 HydrophobicContact CB-CD1 4.15Å; F123-F126 HydrophobicContact CB-CD2 3.92Å; F123-F126 HydrophobicContact CB-CE1 4.41Å; F123-F126 HydrophobicContact CB-CE2 4.21Å; F123-F126 HydrophobicContact CB-CG 3.89Å; F123-F126 HydrophobicContact CB-CZ 4.44Å; F123-F126 HydrophobicContact CD2-CD2 4.49Å; F123-F126 HydrophobicContact CD2-CE1 4.04Å; F123-F126 AromaticContact CD2-CE2 3.94Å; F123-F126 HydrophobicContact CD2-CE2 3.94Å; F123-F126 AromaticContact CD2-CZ 3.68Å; F123-F126 HydrophobicContact CD2-CZ 3.68Å; F123-F126 HydrophobicContact CE2-CZ 4.44Å; F123-F126 HydrophobicContact CG-CE2 4.42Å; F123-F126 WeakPolarHBondContact O-CB 3.11Å; F123-F126 PolarHBondContact O-N 3.44Å; F123-F126 VanDerWaalsContact O-N 3.13Å; T124-F126 VanDerWaalsContact C-N 3.28Å; T124-F126 PolarHBondContact O-N 2.93Å; F126-F128 PolarHBondContact O-N 3.07Å; F126-I129 HydrophobicContact CD1-CD1 4.46Å; F126-I129 PolarHBondContact O-N 3.37Å; F126-F137 HydrophobicContact CB-CB 3.94Å; F126-F137 HydrophobicContact CD1-CB 4.22Å; F126-F137 AromaticContact CD1-CD1 3.49Å; F126-F137 HydrophobicContact CD1-CD1 3.49Å; F126-F137 VanDerWaalsContact CD1-CD1 3.49Å; F126-F137 HydrophobicContact CD1-CE1 4.16Å; F126-F137 HydrophobicContact CD1-CG 4.11Å; F126-F137 HydrophobicContact CD2-CB 3.97Å; F126-F137 HydrophobicContact CD2-CD1 4.14Å; F126-F137 AromaticContact CE1-CD1 3.4Å; F126-F137 HydrophobicContact CE1-CD1 3.4Å; F126-F137 AromaticContact CE1-CE1 3.79Å; F126-F137 HydrophobicContact CE1-CE1 3.79Å; F126-F137 HydrophobicContact CE1-CG 4.43Å; F126-F137 HydrophobicContact CE2-CD1 4.04Å; F126-F137 HydrophobicContact CG-CB 3.79Å; F126-F137 AromaticContact CG-CD1 3.88Å; F126-F137 HydrophobicContact CG-CD1 3.88Å; F126-F137 HydrophobicContact CG-CG 4.19Å; F126-F137 AromaticContact CZ-CD1 3.69Å; F126-F137 HydrophobicContact CZ-CD1 3.69Å; F126-F137 HydrophobicContact CZ-CE1 4.24Å; F126-I397 HydrophobicContact CZ-CG2 4.09Å
127	Q	91.4	Very high	92.5	Very high	104 Å²	104	35.6 Å²	35.6	49%	0.486	19%	0.193	S	C	.	.	H	α-helix	trans	-69.4	-20.8	178.8	-60.8	-178.7	0.4	0	0	112.9	D122 T124 S125 G132	D122-Q127 PolarHBondContact OD1-NE2 3.13Å; D122-Q127 VanDerWaalsContact OD1-NE2 3.16Å; T124-Q127 PolarHBondContact O-N 3.49Å; S125-Q127 VanDerWaalsContact C-N 3.26Å; S125-Q127 PolarHBondContact O-N 3.09Å; Q127-G132 WeakPolarHBondContact O-CA 3.48Å; Q127-G132 PolarHBondContact O-N 3.38Å; Q127-G132 VanDerWaalsContact O-N 3.08Å
128	F	91.3	Very high	92.2	Very high	71 Å²	71	36.5 Å²	36.5	31%	0.311	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-6	177.7	-66.3	-76.4	0	0	0	113.4	T124 S125 F126 F261 F264 K265 N268	T124-F128 HydrophobicContact CG2-CE2 4.05Å; T124-F128 VanDerWaalsContact O-CD2 3.25Å; T124-F128 WeakPolarHBondContact O-CD2 3.48Å; S125-F128 PolarHBondContact O-N 3.11Å; F126-F128 PolarHBondContact O-N 3.07Å; F128-F261 AromaticContact CD2-CZ 3.89Å; F128-F261 HydrophobicContact CD2-CZ 3.89Å; F128-F261 HydrophobicContact CE2-CE1 4.17Å; F128-F261 AromaticContact CE2-CZ 3.84Å; F128-F261 HydrophobicContact CE2-CZ 3.84Å; F128-F264 HydrophobicContact CB-CE1 4.21Å; F128-K265 HydrophobicContact CB-CG 4.43Å; F128-K265 HydrophobicContact CD1-CB 4.29Å; F128-K265 HydrophobicContact CD1-CD 4.08Å; F128-K265 HydrophobicContact CD1-CG 3.72Å; F128-K265 HydrophobicContact CD2-CD 4.5Å; F128-K265 HydrophobicContact CD2-CG 4.03Å; F128-K265 HydrophobicContact CE1-CD 3.72Å; F128-K265 HydrophobicContact CE1-CG 3.91Å; F128-K265 HydrophobicContact CE2-CD 4.19Å; F128-K265 HydrophobicContact CE2-CG 4.22Å; F128-K265 HydrophobicContact CG-CD 4.46Å; F128-K265 HydrophobicContact CG-CG 3.79Å; F128-K265 HydrophobicContact CZ-CD 3.79Å; F128-K265 VanDerWaalsContact CZ-CE 3.49Å; F128-K265 HydrophobicContact CZ-CG 4.17Å; F128-N268 WeakPolarHBondContact O-CB 3.33Å
129	I	89.4	Confident	91.9	Very high	13 Å²	13	40.1 Å²	40.1	7%	0.067	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-90.6	123	177.6	-54.7	174.8	0	0	0	108.6	F126 D131 G132 F137 F264	F126-I129 HydrophobicContact CD1-CD1 4.46Å; F126-I129 PolarHBondContact O-N 3.37Å; I129-D131 PolarHBondContact O-N 2.92Å; I129-G132 PolarHBondContact O-N 3.1Å; I129-F137 HydrophobicContact CB-CD2 4.12Å; I129-F137 HydrophobicContact CD1-CD1 4.1Å; I129-F137 HydrophobicContact CD1-CD2 3.51Å; I129-F137 HydrophobicContact CD1-CE1 4.04Å; I129-F137 HydrophobicContact CD1-CE2 3.49Å; I129-F137 VanDerWaalsContact CD1-CE2 3.49Å; I129-F137 HydrophobicContact CD1-CG 3.84Å; I129-F137 HydrophobicContact CD1-CZ 3.75Å; I129-F137 HydrophobicContact CG1-CD2 4.41Å; I129-F137 HydrophobicContact CG2-CD2 3.71Å; I129-F137 HydrophobicContact CG2-CE2 3.94Å; I129-F264 HydrophobicContact CD1-CZ 4.13Å; I129-F264 HydrophobicContact CG1-CZ 3.95Å
130	S	88.7	Confident	91.6	Very high	20 Å²	20	41.9 Å²	41.9	14%	0.14	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	52	40.8	-179.3	-53	0	0	0	0	112.4	G132 Q133 D324	S130-G132 PolarHBondContact O-N 3.42Å; S130-G132 VanDerWaalsContact O-N 3.15Å; S130-Q133 WeakPolarHBondContact O-CB 3.44Å; S130-Q133 PolarHBondContact O-N 2.88Å; S130-D324 PolarHBondContact OG-OD1 3.38Å
131	D	87.2	Confident	91.3	Very high	131 Å²	131	43.4 Å²	43.4	70%	0.701	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	50.5	36	-175.6	-60.2	-37	0	0	0	114	I129 Q133	I129-D131 PolarHBondContact O-N 2.92Å; D131-Q133 PolarHBondContact O-N 3.17Å
132	G	89.2	Confident	90.9	Very high	41 Å²	41	48.4 Å²	48.4	42%	0.423	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	75.6	7.1	-179.8	0	0	0	0	0	114.1	Q127 I129 S130	Q127-G132 WeakPolarHBondContact O-CA 3.48Å; Q127-G132 PolarHBondContact O-N 3.38Å; Q127-G132 VanDerWaalsContact O-N 3.08Å; I129-G132 PolarHBondContact O-N 3.1Å; S130-G132 PolarHBondContact O-N 3.42Å; S130-G132 VanDerWaalsContact O-N 3.15Å
133	Q	90.6	Very high	90.5	Very high	77 Å²	77	45.5 Å²	45.5	36%	0.36	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	11.8	-179.6	-57.7	-171.3	-11.5	0	0	113.3	S130 D131 M135 P320	S130-Q133 WeakPolarHBondContact O-CB 3.44Å; S130-Q133 PolarHBondContact O-N 2.88Å; D131-Q133 PolarHBondContact O-N 3.17Å; Q133-M135 PolarHBondContact O-N 2.99Å; Q133-P320 HydrophobicContact CB-CB 3.96Å; Q133-P320 HydrophobicContact CB-CG 4.05Å; Q133-P320 WeakPolarHBondContact O-CB 3.39Å
134	S	92.5	Very high	90.5	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.021	27%	0.266	C	S	.	.			trans	-57.4	132.8	176.2	174.3	0	0	0	0	111.9	A136 F137 G138 D324	S134-A136 PolarHBondContact OG-N 3.03Å; S134-A136 VanDerWaalsContact OG-N 3.16Å; S134-F137 VanDerWaalsContact OG-CD2 3.29Å; S134-F137 WeakPolarHBondContact OG-CD2 3.32Å; S134-F137 PolarHBondContact OG-N 2.89Å; S134-F137 VanDerWaalsContact OG-N 3.13Å; S134-G138 VanDerWaalsContact O-CA 3.23Å; S134-G138 WeakPolarHBondContact O-CA 3.29Å; S134-G138 PolarHBondContact O-N 2.91Å; S134-D324 WeakPolarHBondContact CB-OD1 3.28Å; S134-D324 PolarHBondContact OG-OD1 3.29Å; S134-D324 PolarHBondContact OG-OD2 3.15Å
135	M	93.4	Very high	90.4	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.049	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-38.2	169	174.5	-161.8	51.1	0	0	111	Q133 W144 R148 A151 D324 R466 I469	Q133-M135 PolarHBondContact O-N 2.99Å; M135-W144 PolarHBondContact O-NE1 3.3Å; M135-R148 HydrophobicContact CG-CB 4.07Å; M135-R148 HydrophobicContact CG-CG 4.42Å; M135-R148 HydrophobicContact SD-CB 3.92Å; M135-R148 HydrophobicContact SD-CG 3.94Å; M135-A151 HydrophobicContact CE-CB 4.34Å; M135-A151 HydrophobicContact SD-CB 3.77Å; M135-D324 WeakPolarHBondContact CA-OD2 3.1Å; M135-D324 WeakPolarHBondContact CB-OD2 3.3Å; M135-D324 HydrophobicContact CE-CB 4.47Å; M135-D324 PolarHBondContact N-OD2 2.96Å; M135-R466 PolarHBondContact O-NH1 3.01Å; M135-I469 HydrophobicContact CE-CD1 3.7Å; M135-I469 HydrophobicContact CE-CG1 4.5Å; M135-I469 HydrophobicContact SD-CD1 4.3Å
136	A	93.4	Very high	90.2	Very high	24 Å²	24	52.6 Å²	52.6	20%	0.198	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-42	-178.3	0	0	0	0	0	111.6	R120 S134 D324 I397 R466	R120-A136 PolarHBondContact NE-O 2.91Å; R120-A136 PolarHBondContact NH2-O 2.91Å; R120-A136 VanDerWaalsContact NH2-O 3.09Å; S134-A136 PolarHBondContact OG-N 3.03Å; S134-A136 VanDerWaalsContact OG-N 3.16Å; A136-D324 PolarHBondContact N-OD2 3.29Å; A136-I397 HydrophobicContact CB-CD1 4.42Å; A136-R466 PolarHBondContact O-NH1 3.49Å
137	F	93.4	Very high	90	Very high	37 Å²	37	51.9 Å²	51.9	16%	0.162	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-17.5	-173.4	-61.2	-76.3	0	0	0	114.5	R120 F126 I129 S134 I397	R120-F137 VanDerWaalsContact CB-O 3.22Å; R120-F137 WeakPolarHBondContact CB-O 3.12Å; R120-F137 WeakPolarHBondContact CG-O 3.26Å; F126-F137 HydrophobicContact CB-CB 3.94Å; F126-F137 HydrophobicContact CD1-CB 4.22Å; F126-F137 AromaticContact CD1-CD1 3.49Å; F126-F137 HydrophobicContact CD1-CD1 3.49Å; F126-F137 VanDerWaalsContact CD1-CD1 3.49Å; F126-F137 HydrophobicContact CD1-CE1 4.16Å; F126-F137 HydrophobicContact CD1-CG 4.11Å; F126-F137 HydrophobicContact CD2-CB 3.97Å; F126-F137 HydrophobicContact CD2-CD1 4.14Å; F126-F137 AromaticContact CE1-CD1 3.4Å; F126-F137 HydrophobicContact CE1-CD1 3.4Å; F126-F137 AromaticContact CE1-CE1 3.79Å; F126-F137 HydrophobicContact CE1-CE1 3.79Å; F126-F137 HydrophobicContact CE1-CG 4.43Å; F126-F137 HydrophobicContact CE2-CD1 4.04Å; F126-F137 HydrophobicContact CG-CB 3.79Å; F126-F137 AromaticContact CG-CD1 3.88Å; F126-F137 HydrophobicContact CG-CD1 3.88Å; F126-F137 HydrophobicContact CG-CG 4.19Å; F126-F137 AromaticContact CZ-CD1 3.69Å; F126-F137 HydrophobicContact CZ-CD1 3.69Å; F126-F137 HydrophobicContact CZ-CE1 4.24Å; I129-F137 HydrophobicContact CB-CD2 4.12Å; I129-F137 HydrophobicContact CD1-CD1 4.1Å; I129-F137 HydrophobicContact CD1-CD2 3.51Å; I129-F137 HydrophobicContact CD1-CE1 4.04Å; I129-F137 HydrophobicContact CD1-CE2 3.49Å; I129-F137 VanDerWaalsContact CD1-CE2 3.49Å; I129-F137 HydrophobicContact CD1-CG 3.84Å; I129-F137 HydrophobicContact CD1-CZ 3.75Å; I129-F137 HydrophobicContact CG1-CD2 4.41Å; I129-F137 HydrophobicContact CG2-CD2 3.71Å; I129-F137 HydrophobicContact CG2-CE2 3.94Å; S134-F137 VanDerWaalsContact OG-CD2 3.29Å; S134-F137 WeakPolarHBondContact OG-CD2 3.32Å; S134-F137 PolarHBondContact OG-N 2.89Å; S134-F137 VanDerWaalsContact OG-N 3.13Å; F137-I397 HydrophobicContact CD1-CG2 3.91Å; F137-I397 HydrophobicContact CE1-CD1 3.91Å; F137-I397 HydrophobicContact CE1-CG1 4.25Å; F137-I397 HydrophobicContact CE1-CG2 3.83Å; F137-I397 HydrophobicContact CZ-CD1 4.03Å
138	G	91.8	Very high	90	Very high	20 Å²	20	48.2 Å²	48.2	21%	0.206	28%	0.276	C	S	.	.	S	Bend	trans	-68.9	145.9	174.4	0	0	0	0	0	113.3	R120 S134 R466	R120-G138 VanDerWaalsContact CG-O 3.31Å; R120-G138 WeakPolarHBondContact CG-O 3.15Å; S134-G138 VanDerWaalsContact O-CA 3.23Å; S134-G138 WeakPolarHBondContact O-CA 3.29Å; S134-G138 PolarHBondContact O-N 2.91Å; G138-R466 VanDerWaalsContact O-CZ 3.31Å; G138-R466 PolarHBondContact O-NH1 3.48Å; G138-R466 PolarHBondContact O-NH2 3.3Å
139	T	91.2	Very high	90.1	Very high	78 Å²	78	52.5 Å²	52.5	48%	0.479	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-78.3	168.4	176.9	-158.8	0	0	0	0	112.3	R120 S141	R120-T139 PolarHBondContact N-OG1 2.9Å; R120-T139 PolarHBondContact O-OG1 2.96Å; T139-S141 PolarHBondContact O-N 3.25Å
140	V	89.7	Confident	90.1	Very high	38 Å²	38	52.6 Å²	52.6	23%	0.23	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-71.4	123.5	-175.5	-177.3	0	0	0	0	110.5	A118 W144 K145	A118-V140 VanDerWaalsContact C-CG2 3.48Å; A118-V140 HydrophobicContact CB-CG2 3.58Å; A118-V140 WeakPolarHBondContact O-CG2 3.41Å; V140-W144 HydrophobicContact CB-CE3 4.33Å; V140-W144 HydrophobicContact CG1-CE3 4.07Å; V140-W144 HydrophobicContact CG1-CZ3 4.35Å; V140-W144 HydrophobicContact CG2-CE3 4.11Å; V140-W144 HydrophobicContact CG2-CZ3 4.01Å; V140-K145 HydrophobicContact CG1-CG 4.43Å
141	S	90.3	Very high	90.4	Very high	50 Å²	50	51.6 Å²	51.6	35%	0.35	29%	0.289	S	S	.	.			trans	-136.8	171.3	166	65.6	0	0	0	0	108.6	T139 S143 W144 K145	T139-S141 PolarHBondContact O-N 3.25Å; S141-S143 VanDerWaalsContact C-N 3.27Å; S141-S143 PolarHBondContact O-N 3.35Å; S141-S143 PolarHBondContact OG-N 2.82Å; S141-S143 PolarHBondContact OG-OG 3.38Å; S141-W144 PolarHBondContact O-N 3.4Å; S141-W144 WeakPolarHBondContact OG-CB 3.44Å; S141-W144 PolarHBondContact OG-N 3.29Å; S141-K145 WeakPolarHBondContact O-CG 3.35Å; S141-K145 PolarHBondContact O-N 2.88Å
142	D	87.1	Confident	90.7	Very high	114 Å²	114	50.1 Å²	50.1	61%	0.61	28%	0.277	S	S	*	.	H	α-helix	trans	-65.3	-35.3	173.8	-65.5	-33.8	0	0	0	111.7	W144 K145 T146	D142-W144 PolarHBondContact O-N 2.84Å; D142-K145 PolarHBondContact O-N 2.87Å; D142-K145 IonicContact OD1-NZ 2.77Å; D142-K145 PolarHBondContact OD1-NZ 2.76Å; D142-T146 PolarHBondContact O-N 2.97Å; D142-T146 PolarHBondContact O-OG1 3.31Å
143	S	84.3	Confident	90.9	Very high	55 Å²	55	51.8 Å²	51.8	39%	0.385	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-42.2	172.2	67.2	0	0	0	0	112.1	S141 K145 T146 H147 Y317	S141-S143 VanDerWaalsContact C-N 3.27Å; S141-S143 PolarHBondContact O-N 3.35Å; S141-S143 PolarHBondContact OG-N 2.82Å; S141-S143 PolarHBondContact OG-OG 3.38Å; S143-K145 PolarHBondContact O-N 3.01Å; S143-T146 PolarHBondContact O-N 3.38Å; S143-H147 WeakPolarHBondContact O-CB 3.22Å; S143-H147 PolarHBondContact O-N 2.74Å; S143-Y317 WeakPolarHBondContact CB-OH 3.45Å
144	W	90.6	Very high	90.9	Very high	19 Å²	19	48.2 Å²	48.2	7%	0.072	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-39	176.8	177.3	88.3	0	0	0	112.2	M135 V140 S141 D142 R148 R466	M135-W144 PolarHBondContact O-NE1 3.3Å; V140-W144 HydrophobicContact CB-CE3 4.33Å; V140-W144 HydrophobicContact CG1-CE3 4.07Å; V140-W144 HydrophobicContact CG1-CZ3 4.35Å; V140-W144 HydrophobicContact CG2-CE3 4.11Å; V140-W144 HydrophobicContact CG2-CZ3 4.01Å; S141-W144 PolarHBondContact O-N 3.4Å; S141-W144 WeakPolarHBondContact OG-CB 3.44Å; S141-W144 PolarHBondContact OG-N 3.29Å; D142-W144 PolarHBondContact O-N 2.84Å; W144-R148 HydrophobicContact CZ2-CB 4.48Å; W144-R148 HydrophobicContact CZ2-CG 4.44Å; W144-R148 WeakPolarHBondContact O-CB 3.3Å; W144-R148 PolarHBondContact O-N 3.39Å; W144-R466 VanDerWaalsContact CZ2-NH1 3.26Å
145	K	90.4	Very high	90.9	Very high	100 Å²	100	48.2 Å²	48.2	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-46.2	177.1	-68.7	170.6	-164.9	158.5	0	111.1	V140 S141 D142 S143 K149	V140-K145 HydrophobicContact CG1-CG 4.43Å; S141-K145 WeakPolarHBondContact O-CG 3.35Å; S141-K145 PolarHBondContact O-N 2.88Å; D142-K145 PolarHBondContact O-N 2.87Å; D142-K145 IonicContact OD1-NZ 2.77Å; D142-K145 PolarHBondContact OD1-NZ 2.76Å; S143-K145 PolarHBondContact O-N 3.01Å; K145-K149 WeakPolarHBondContact O-CB 3.39Å; K145-K149 PolarHBondContact O-N 3.28Å
146	T	86.3	Confident	90.8	Very high	76 Å²	76	55.4 Å²	55.4	47%	0.466	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-50.2	177.9	-60.6	0	0	0	0	111.1	D142 S143 R148 K149 L150	D142-T146 PolarHBondContact O-N 2.97Å; D142-T146 PolarHBondContact O-OG1 3.31Å; S143-T146 PolarHBondContact O-N 3.38Å; T146-R148 VanDerWaalsContact C-N 3.34Å; T146-R148 PolarHBondContact O-N 3.28Å; T146-K149 PolarHBondContact O-N 3.08Å; T146-L150 PolarHBondContact O-N 3.03Å
147	H	87.4	Confident	90.6	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-52.7	-49.9	176.2	175.8	-168.3	0	0	0	111.6	S143 L150 A151 Y317 T321	S143-H147 WeakPolarHBondContact O-CB 3.22Å; S143-H147 PolarHBondContact O-N 2.74Å; H147-L150 PolarHBondContact O-N 2.78Å; H147-A151 WeakPolarHBondContact O-CB 3.41Å; H147-A151 PolarHBondContact O-N 2.81Å; H147-Y317 HydrophobicContact CB-CG 4.46Å; H147-Y317 AromaticContact CE1-CD1 3.72Å; H147-Y317 AromaticContact CG-CG 4Å; H147-Y317 AromaticContact ND1-CD1 3.58Å; H147-Y317 AromaticContact ND1-CG 4Å; H147-T321 PolarHBondContact CD2-OG1 3.43Å; H147-T321 PolarHBondContact NE2-OG1 2.68Å
148	R	92.6	Very high	90.3	Very high	27 Å²	27	55.9 Å²	55.9	10%	0.102	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-41.5	178.6	177.9	169.3	177.6	73.7	3	113.5	M135 W144 T146 L150 A151 Q152 R465 R467	M135-R148 HydrophobicContact CG-CB 4.07Å; M135-R148 HydrophobicContact CG-CG 4.42Å; M135-R148 HydrophobicContact SD-CB 3.92Å; M135-R148 HydrophobicContact SD-CG 3.94Å; W144-R148 HydrophobicContact CZ2-CB 4.48Å; W144-R148 HydrophobicContact CZ2-CG 4.44Å; W144-R148 WeakPolarHBondContact O-CB 3.3Å; W144-R148 PolarHBondContact O-N 3.39Å; T146-R148 VanDerWaalsContact C-N 3.34Å; T146-R148 PolarHBondContact O-N 3.28Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 3.23Å; R148-A151 PolarHBondContact O-N 3.18Å; R148-Q152 VanDerWaalsContact O-CB 3.3Å; R148-Q152 WeakPolarHBondContact O-CB 3.32Å; R148-Q152 PolarHBondContact O-N 3.37Å; R148-R465 VanDerWaalsContact CZ-O 3.28Å; R148-R465 PolarHBondContact NE-O 3.37Å; R148-R465 PolarHBondContact NH2-O 3.5Å; R148-R467 PolarHBondContact NH2-O 2.96Å
149	K	91.9	Very high	89.9	Confident	161 Å²	161	55.1 Å²	55.1	70%	0.7	28%	0.283	S	S	*	.	H	α-helix	trans	-61.1	-43.4	177.9	-176.3	-176.9	177.3	-172	0	110.4	K145 T146 S153	K145-K149 WeakPolarHBondContact O-CB 3.39Å; K145-K149 PolarHBondContact O-N 3.28Å; T146-K149 PolarHBondContact O-N 3.08Å; K149-S153 WeakPolarHBondContact O-CB 3.46Å; K149-S153 PolarHBondContact O-N 2.64Å
150	L	91.3	Very high	89.5	Confident	15 Å²	15	55.3 Å²	55.3	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-53.2	175.8	-173.9	59.1	0	0	0	110.8	T146 H147 R148 Q152 S153 T154 F298 A301 L302 I305	T146-L150 PolarHBondContact O-N 3.03Å; H147-L150 PolarHBondContact O-N 2.78Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 3.23Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.37Å; L150-S153 WeakPolarHBondContact O-CB 3.49Å; L150-S153 PolarHBondContact O-N 2.84Å; L150-T154 PolarHBondContact O-N 2.87Å; L150-T154 PolarHBondContact O-OG1 3.4Å; L150-T154 VanDerWaalsContact O-OG1 3.05Å; L150-F298 HydrophobicContact CB-CE2 4.06Å; L150-F298 HydrophobicContact CB-CZ 4.42Å; L150-F298 HydrophobicContact CD2-CD2 4.35Å; L150-F298 HydrophobicContact CD2-CE1 4.06Å; L150-F298 HydrophobicContact CD2-CE2 3.78Å; L150-F298 HydrophobicContact CD2-CZ 3.63Å; L150-F298 HydrophobicContact CG-CD2 4.05Å; L150-F298 HydrophobicContact CG-CE2 3.58Å; L150-F298 HydrophobicContact CG-CZ 3.97Å; L150-A301 HydrophobicContact CD1-CB 3.52Å; L150-L302 HydrophobicContact CD2-CB 3.89Å; L150-L302 HydrophobicContact CD2-CD1 3.82Å; L150-L302 HydrophobicContact CD2-CG 4.46Å; L150-I305 HydrophobicContact CD1-CD1 3.71Å; L150-I305 HydrophobicContact CD2-CD1 4.25Å; L150-I305 HydrophobicContact CG-CD1 4.42Å
151	A	93.4	Very high	89	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-43.9	-179.9	0	0	0	0	0	112.3	M135 H147 R148 S153 T154 V155 F298 T321 I469	M135-A151 HydrophobicContact CE-CB 4.34Å; M135-A151 HydrophobicContact SD-CB 3.77Å; H147-A151 WeakPolarHBondContact O-CB 3.41Å; H147-A151 PolarHBondContact O-N 2.81Å; R148-A151 PolarHBondContact O-N 3.18Å; A151-S153 PolarHBondContact O-N 3.48Å; A151-T154 PolarHBondContact O-N 3.19Å; A151-V155 WeakPolarHBondContact O-CG2 3.48Å; A151-V155 PolarHBondContact O-N 2.85Å; A151-F298 HydrophobicContact CB-CE2 3.97Å; A151-T321 HydrophobicContact CB-CG2 3.61Å; A151-I469 HydrophobicContact CB-CD1 3.98Å
152	Q	94.6	Very high	88.8	Confident	99 Å²	99	56.1 Å²	56.1	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-41.1	176.6	-174.8	178.2	0.4	0	0	112.1	R148 L150 R156 I469	R148-Q152 VanDerWaalsContact O-CB 3.3Å; R148-Q152 WeakPolarHBondContact O-CB 3.32Å; R148-Q152 PolarHBondContact O-N 3.37Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.37Å; Q152-R156 VanDerWaalsContact O-CB 3.31Å; Q152-R156 WeakPolarHBondContact O-CB 3.24Å; Q152-R156 PolarHBondContact O-N 2.81Å; Q152-I469 HydrophobicContact CB-CB 4.24Å; Q152-I469 HydrophobicContact CB-CG2 3.87Å; Q152-I469 HydrophobicContact CG-CB 4.25Å; Q152-I469 HydrophobicContact CG-CG2 4.05Å
153	S	91.9	Very high	88.7	Confident	76 Å²	76	56 Å²	56	53%	0.531	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-44.1	177.2	-167.2	0	0	0	0	111.3	K149 L150 A151 R156 M157	K149-S153 WeakPolarHBondContact O-CB 3.46Å; K149-S153 PolarHBondContact O-N 2.64Å; L150-S153 WeakPolarHBondContact O-CB 3.49Å; L150-S153 PolarHBondContact O-N 2.84Å; A151-S153 PolarHBondContact O-N 3.48Å; S153-R156 PolarHBondContact O-N 3.32Å; S153-M157 PolarHBondContact O-N 3.45Å; S153-M157 VanDerWaalsContact O-N 3.08Å
154	T	91.9	Very high	88.8	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-49	177.5	-50.2	0	0	0	0	111.2	L150 A151 R156 M157 F158 M294 A297 F298	L150-T154 PolarHBondContact O-N 2.87Å; L150-T154 PolarHBondContact O-OG1 3.4Å; L150-T154 VanDerWaalsContact O-OG1 3.05Å; A151-T154 PolarHBondContact O-N 3.19Å; T154-R156 VanDerWaalsContact C-N 3.25Å; T154-R156 PolarHBondContact O-N 2.93Å; T154-M157 WeakPolarHBondContact O-CB 3.48Å; T154-M157 PolarHBondContact O-N 3.17Å; T154-F158 WeakPolarHBondContact O-CD2 3.45Å; T154-M294 HydrophobicContact CG2-CG 3.61Å; T154-A297 HydrophobicContact CG2-CB 3.69Å; T154-F298 HydrophobicContact CG2-CB 4.16Å; T154-F298 HydrophobicContact CG2-CD2 4.46Å
155	V	93.1	Very high	88.6	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-36.3	176.2	173.3	0	0	0	0	111.8	A151 M157 F158 S159 M294 I325 I469 L473	A151-V155 WeakPolarHBondContact O-CG2 3.48Å; A151-V155 PolarHBondContact O-N 2.85Å; V155-M157 VanDerWaalsContact C-N 3.31Å; V155-M157 PolarHBondContact O-N 2.82Å; V155-F158 PolarHBondContact O-N 2.84Å; V155-S159 PolarHBondContact O-OG 3.33Å; V155-M294 HydrophobicContact CG2-CE 4.2Å; V155-M294 HydrophobicContact CG2-SD 3.8Å; V155-I325 HydrophobicContact CG2-CD1 3.66Å; V155-I325 HydrophobicContact CG2-CG1 4.27Å; V155-I469 WeakPolarHBondContact CG1-O 3.3Å; V155-I469 HydrophobicContact CG2-CD1 3.93Å; V155-I469 HydrophobicContact CG2-CG1 4.46Å; V155-L473 HydrophobicContact CG1-CB 4.43Å; V155-L473 HydrophobicContact CG1-CD2 4.36Å
156	R	91.1	Very high	88.5	Confident	160 Å²	160	56.5 Å²	56.5	60%	0.604	30%	0.3	S	S	*	.	H	α-helix	trans	-64.5	-35.3	176.5	-171.6	177.1	177.7	-169.2	-2.8	112.2	Q152 S153 T154 F158 S159 T160 G161	Q152-R156 VanDerWaalsContact O-CB 3.31Å; Q152-R156 WeakPolarHBondContact O-CB 3.24Å; Q152-R156 PolarHBondContact O-N 2.81Å; S153-R156 PolarHBondContact O-N 3.32Å; T154-R156 VanDerWaalsContact C-N 3.25Å; T154-R156 PolarHBondContact O-N 2.93Å; R156-F158 VanDerWaalsContact C-N 3.26Å; R156-F158 PolarHBondContact O-N 2.81Å; R156-S159 WeakPolarHBondContact CA-OG 3.31Å; R156-S159 PolarHBondContact O-N 3.44Å; R156-S159 VanDerWaalsContact O-N 3.13Å; R156-S159 PolarHBondContact O-OG 3.43Å; R156-S159 VanDerWaalsContact O-OG 3.1Å; R156-T160 PolarHBondContact O-N 2.96Å; R156-G161 WeakPolarHBondContact O-CA 3.45Å; R156-G161 PolarHBondContact O-N 3.11Å
157	M	87.9	Confident	88.6	Confident	65 Å²	65	59.9 Å²	59.9	32%	0.32	30%	0.304	S	S	.	.	I	π-helix	trans	-55.9	-41.3	176.4	-168.1	-177.1	-66.7	0	0	111.7	S153 T154 V155 S159 N162 T165 A297	S153-M157 PolarHBondContact O-N 3.45Å; S153-M157 VanDerWaalsContact O-N 3.08Å; T154-M157 WeakPolarHBondContact O-CB 3.48Å; T154-M157 PolarHBondContact O-N 3.17Å; V155-M157 VanDerWaalsContact C-N 3.31Å; V155-M157 PolarHBondContact O-N 2.82Å; M157-S159 VanDerWaalsContact C-N 3.32Å; M157-S159 PolarHBondContact O-N 2.84Å; M157-N162 HydrophobicContact CG-CB 3.91Å; M157-N162 PolarHBondContact O-N 2.85Å; M157-T165 HydrophobicContact CG-CG2 4.46Å; M157-T165 PolarHBondContact O-OG1 3.16Å; M157-A297 HydrophobicContact SD-CB 4.44Å
158	F	86.8	Confident	88.7	Confident	7 Å²	7	61.6 Å²	61.6	3%	0.031	32%	0.315	C	S	.	.	I	π-helix	trans	-83.1	0.1	-179.5	-72	-95.6	0	0	0	114.9	T154 V155 R156 T165 I211 M294 A297	T154-F158 WeakPolarHBondContact O-CD2 3.45Å; V155-F158 PolarHBondContact O-N 2.84Å; R156-F158 VanDerWaalsContact C-N 3.26Å; R156-F158 PolarHBondContact O-N 2.81Å; F158-T165 HydrophobicContact CD1-CG2 4.25Å; F158-T165 HydrophobicContact CE1-CG2 3.96Å; F158-T165 HydrophobicContact CZ-CG2 4.12Å; F158-I211 HydrophobicContact CD1-CG2 4.01Å; F158-I211 HydrophobicContact CG-CG2 4.34Å; F158-M294 HydrophobicContact CB-CE 3.89Å; F158-M294 HydrophobicContact CD2-CB 4.31Å; F158-M294 HydrophobicContact CD2-CE 3.81Å; F158-M294 HydrophobicContact CD2-CG 4.09Å; F158-M294 HydrophobicContact CE2-CB 3.98Å; F158-M294 HydrophobicContact CE2-CG 4.05Å; F158-M294 HydrophobicContact CG-CE 3.88Å; F158-M294 HydrophobicContact CZ-CB 4.25Å; F158-A297 HydrophobicContact CE2-CB 3.89Å; F158-A297 HydrophobicContact CZ-CB 4.37Å
159	S	85.3	Confident	88.6	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.021	31%	0.311	C	S	.	.	I	π-helix	trans	-115.8	-65.4	178	49	0	0	0	0	112.4	V155 R156 M157 K166 L476	V155-S159 PolarHBondContact O-OG 3.33Å; R156-S159 WeakPolarHBondContact CA-OG 3.31Å; R156-S159 PolarHBondContact O-N 3.44Å; R156-S159 VanDerWaalsContact O-N 3.13Å; R156-S159 PolarHBondContact O-OG 3.43Å; R156-S159 VanDerWaalsContact O-OG 3.1Å; M157-S159 VanDerWaalsContact C-N 3.32Å; M157-S159 PolarHBondContact O-N 2.84Å; S159-K166 WeakPolarHBondContact O-CG 3.38Å; S159-L476 WeakPolarHBondContact O-CD1 3.23Å
160	T	82.6	Confident	88.7	Confident	82 Å²	82	55 Å²	55	50%	0.503	29%	0.288	S	S	.	.	I	π-helix	trans	-124.6	-10.9	-173.7	54.2	0	0	0	0	113.4	R156	R156-T160 PolarHBondContact O-N 2.96Å
161	G	78.4	Confident	88.7	Confident	50 Å²	50	55.7 Å²	55.7	52%	0.515	29%	0.291	S	S	.	.	I	π-helix	trans	-86.1	-22.7	-168.7	0	0	0	0	0	115.2	R156	R156-G161 WeakPolarHBondContact O-CA 3.45Å; R156-G161 PolarHBondContact O-N 3.11Å
162	N	85.4	Confident	88.7	Confident	55 Å²	55	57.7 Å²	57.7	29%	0.294	30%	0.3	S	S	.	.			trans	-145.8	124.7	179.4	175	-32.2	0	0	0	110.2	M157 Q164 T165 K166	M157-N162 HydrophobicContact CG-CB 3.91Å; M157-N162 PolarHBondContact O-N 2.85Å; N162-Q164 VanDerWaalsContact C-N 3.31Å; N162-Q164 PolarHBondContact O-N 2.81Å; N162-Q164 WeakPolarHBondContact OD1-CA 3.25Å; N162-Q164 VanDerWaalsContact OD1-CB 3.3Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.35Å; N162-Q164 PolarHBondContact OD1-N 3.15Å; N162-T165 VanDerWaalsContact CB-OG1 3.26Å; N162-T165 WeakPolarHBondContact CB-OG1 3.27Å; N162-T165 PolarHBondContact O-OG1 3.45Å; N162-T165 PolarHBondContact OD1-N 3.17Å; N162-K166 WeakPolarHBondContact O-CB 3.34Å; N162-K166 PolarHBondContact O-N 2.81Å
163	P	86.1	Confident	88.7	Confident	111 Å²	111	53 Å²	53	72%	0.721	28%	0.278	S	S	*	.	H	α-helix	trans	-60.6	-34.8	-179	-25.4	34.7	0	0	0	114.4	R167	P163-R167 WeakPolarHBondContact O-CB 3.39Å; P163-R167 PolarHBondContact O-N 2.99Å
164	Q	86.1	Confident	88.8	Confident	134 Å²	134	50.3 Å²	50.3	63%	0.626	26%	0.258	S	S	*	.	H	α-helix	trans	-68.7	-51.6	-178.6	-175.2	178.6	5	0	0	110.9	N162 K166 R167 T168	N162-Q164 VanDerWaalsContact C-N 3.31Å; N162-Q164 PolarHBondContact O-N 2.81Å; N162-Q164 WeakPolarHBondContact OD1-CA 3.25Å; N162-Q164 VanDerWaalsContact OD1-CB 3.3Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.35Å; N162-Q164 PolarHBondContact OD1-N 3.15Å; Q164-K166 VanDerWaalsContact C-N 3.29Å; Q164-K166 PolarHBondContact O-N 3.36Å; Q164-R167 WeakPolarHBondContact O-CB 3.31Å; Q164-R167 PolarHBondContact O-N 2.85Å; Q164-R167 VanDerWaalsContact O-N 3.09Å; Q164-T168 PolarHBondContact O-N 2.84Å; Q164-T168 PolarHBondContact O-OG1 3.17Å
165	T	85.8	Confident	88.9	Confident	16 Å²	16	50.3 Å²	50.3	10%	0.098	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-32.7	177.7	47.5	0	0	0	0	112.1	M157 F158 N162 R167 T168 F169	M157-T165 HydrophobicContact CG-CG2 4.46Å; M157-T165 PolarHBondContact O-OG1 3.16Å; F158-T165 HydrophobicContact CD1-CG2 4.25Å; F158-T165 HydrophobicContact CE1-CG2 3.96Å; F158-T165 HydrophobicContact CZ-CG2 4.12Å; N162-T165 VanDerWaalsContact CB-OG1 3.26Å; N162-T165 WeakPolarHBondContact CB-OG1 3.27Å; N162-T165 PolarHBondContact O-OG1 3.45Å; N162-T165 PolarHBondContact OD1-N 3.17Å; T165-R167 VanDerWaalsContact C-N 3.34Å; T165-T168 PolarHBondContact O-N 2.92Å; T165-F169 WeakPolarHBondContact O-CB 3.49Å; T165-F169 PolarHBondContact O-N 3.01Å
166	K	88.8	Confident	89	Confident	36 Å²	36	50.3 Å²	50.3	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-41.8	170.7	-178.4	-172.5	176.7	-164.7	0	111.5	S159 N162 Q164 F169 E170 I370 E371	S159-K166 WeakPolarHBondContact O-CG 3.38Å; N162-K166 WeakPolarHBondContact O-CB 3.34Å; N162-K166 PolarHBondContact O-N 2.81Å; Q164-K166 VanDerWaalsContact C-N 3.29Å; Q164-K166 PolarHBondContact O-N 3.36Å; K166-F169 WeakPolarHBondContact O-CB 3.22Å; K166-F169 PolarHBondContact O-N 3.33Å; K166-E170 PolarHBondContact O-N 2.8Å; K166-I370 HydrophobicContact CG-CD1 4.15Å; K166-E371 IonicContact NZ-OE1 3.38Å; K166-E371 PolarHBondContact NZ-OE1 3.33Å; K166-E371 IonicContact NZ-OE2 3.77Å; K166-E371 PolarHBondContact NZ-OE2 2.83Å
167	R	88.6	Confident	89.3	Confident	146 Å²	146	42.7 Å²	42.7	55%	0.551	23%	0.229	S	C	*	.	H	α-helix	trans	-67.2	-42.3	175.9	-170.4	176.8	-173.5	164.1	2.4	112	P163 Q164 T165 F169 E170 Q171	P163-R167 WeakPolarHBondContact O-CB 3.39Å; P163-R167 PolarHBondContact O-N 2.99Å; Q164-R167 WeakPolarHBondContact O-CB 3.31Å; Q164-R167 PolarHBondContact O-N 2.85Å; Q164-R167 VanDerWaalsContact O-N 3.09Å; T165-R167 VanDerWaalsContact C-N 3.34Å; R167-F169 VanDerWaalsContact C-N 3.31Å; R167-F169 PolarHBondContact O-N 2.87Å; R167-E170 WeakPolarHBondContact O-CB 3.47Å; R167-E170 PolarHBondContact O-N 3.42Å; R167-Q171 WeakPolarHBondContact O-CG 3.43Å; R167-Q171 PolarHBondContact O-N 3.22Å
168	T	88.2	Confident	89.7	Confident	44 Å²	44	42.1 Å²	42.1	27%	0.27	22%	0.224	S	C	.	.	H	α-helix	trans	-60.5	-41.9	173.8	-55.8	0	0	0	0	111.5	Q164 T165 Q171 H172	Q164-T168 PolarHBondContact O-N 2.84Å; Q164-T168 PolarHBondContact O-OG1 3.17Å; T165-T168 PolarHBondContact O-N 2.92Å; T168-Q171 WeakPolarHBondContact O-CB 3.48Å; T168-Q171 PolarHBondContact O-N 2.81Å; T168-H172 WeakPolarHBondContact CG2-NE2 3.46Å; T168-H172 PolarHBondContact O-CD2 3.35Å; T168-H172 VanDerWaalsContact O-CD2 3.25Å; T168-H172 PolarHBondContact O-N 2.99Å
169	F	91.4	Very high	90.1	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-58.3	-49.5	173.4	169.4	-100.4	0	0	0	112	T165 K166 R167 Q171 H172 V173 V207 I211 I370 L473 L476 Q477	T165-F169 WeakPolarHBondContact O-CB 3.49Å; T165-F169 PolarHBondContact O-N 3.01Å; K166-F169 WeakPolarHBondContact O-CB 3.22Å; K166-F169 PolarHBondContact O-N 3.33Å; R167-F169 VanDerWaalsContact C-N 3.31Å; R167-F169 PolarHBondContact O-N 2.87Å; F169-Q171 VanDerWaalsContact C-N 3.31Å; F169-Q171 PolarHBondContact O-N 3.13Å; F169-H172 PolarHBondContact O-N 2.66Å; F169-V173 HydrophobicContact CE1-CG2 4.09Å; F169-V173 HydrophobicContact CE2-CG2 3.98Å; F169-V173 HydrophobicContact CZ-CG2 3.74Å; F169-V173 WeakPolarHBondContact O-CG2 3.43Å; F169-V173 PolarHBondContact O-N 3.45Å; F169-V207 HydrophobicContact CE2-CG1 4.36Å; F169-I211 HydrophobicContact CD2-CD1 3.22Å; F169-I211 HydrophobicContact CD2-CG1 3.88Å; F169-I211 HydrophobicContact CE2-CD1 3.4Å; F169-I370 HydrophobicContact CD1-CD1 3.77Å; F169-I370 HydrophobicContact CE1-CD1 4.05Å; F169-L473 HydrophobicContact CD1-CD1 4.4Å; F169-L473 HydrophobicContact CD2-CD1 3.61Å; F169-L473 HydrophobicContact CE1-CD1 4.28Å; F169-L473 HydrophobicContact CE2-CD1 3.47Å; F169-L473 VanDerWaalsContact CE2-CD1 3.47Å; F169-L473 HydrophobicContact CE2-CG 4.1Å; F169-L473 HydrophobicContact CG-CD1 4.09Å; F169-L473 HydrophobicContact CZ-CD1 3.83Å; F169-L473 HydrophobicContact CZ-CG 4.42Å; F169-L476 HydrophobicContact CE1-CB 3.93Å; F169-Q477 HydrophobicContact CZ-CB 3.81Å; F169-Q477 HydrophobicContact CZ-CG 4.26Å
170	E	93.1	Very high	90.7	Very high	48 Å²	48	43.8 Å²	43.8	22%	0.224	23%	0.231	C	C	.	.	H	α-helix	trans	-56.9	-43.9	176.1	-179.8	172.8	113.9	0	0	112	K166 R167 H172 V173 L174 I370 L480	K166-E170 PolarHBondContact O-N 2.8Å; R167-E170 WeakPolarHBondContact O-CB 3.47Å; R167-E170 PolarHBondContact O-N 3.42Å; E170-H172 PolarHBondContact O-N 3.11Å; E170-V173 PolarHBondContact O-N 3.03Å; E170-L174 WeakPolarHBondContact O-CB 3.38Å; E170-L174 PolarHBondContact O-N 3.09Å; E170-I370 HydrophobicContact CB-CD1 3.88Å; E170-I370 HydrophobicContact CB-CG1 4.44Å; E170-I370 HydrophobicContact CG-CD1 4.43Å; E170-I370 HydrophobicContact CG-CG1 4.46Å; E170-I370 WeakPolarHBondContact OE2-CB 3.46Å; E170-I370 VanDerWaalsContact OE2-CG1 3.31Å; E170-I370 WeakPolarHBondContact OE2-CG1 3.34Å; E170-I370 PolarHBondContact OE2-N 3.12Å; E170-L480 HydrophobicContact CB-CD2 4.26Å; E170-L480 HydrophobicContact CG-CD2 3.74Å
171	Q	92	Very high	91.4	Very high	30 Å²	30	40 Å²	40	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-42.1	177.5	-75.1	169.8	-19.8	0	0	112.6	R167 T168 F169 L174 A175 A534	R167-Q171 WeakPolarHBondContact O-CG 3.43Å; R167-Q171 PolarHBondContact O-N 3.22Å; T168-Q171 WeakPolarHBondContact O-CB 3.48Å; T168-Q171 PolarHBondContact O-N 2.81Å; F169-Q171 VanDerWaalsContact C-N 3.31Å; F169-Q171 PolarHBondContact O-N 3.13Å; Q171-L174 PolarHBondContact O-N 3.1Å; Q171-A175 VanDerWaalsContact O-CB 3.26Å; Q171-A175 WeakPolarHBondContact O-CB 3.29Å; Q171-A175 PolarHBondContact O-N 3.23Å; Q171-A534 HydrophobicContact CB-CB 3.85Å; Q171-A534 HydrophobicContact CG-CB 3.92Å
172	H	93	Very high	92.3	Very high	42 Å²	42	42 Å²	42	19%	0.194	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-42.3	175.4	-69.4	-40.2	0	0	0	112.1	T168 F169 E170 E176 A210	T168-H172 WeakPolarHBondContact CG2-NE2 3.46Å; T168-H172 PolarHBondContact O-CD2 3.35Å; T168-H172 VanDerWaalsContact O-CD2 3.25Å; T168-H172 PolarHBondContact O-N 2.99Å; F169-H172 PolarHBondContact O-N 2.66Å; E170-H172 PolarHBondContact O-N 3.11Å; H172-E176 WeakPolarHBondContact O-CB 3.38Å; H172-E176 PolarHBondContact O-N 3.13Å; H172-A210 HydrophobicContact CB-CB 4.12Å
173	V	94.6	Very high	92.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-47.5	175.2	172.7	0	0	0	0	110.9	F169 E170 A175 E176 F177 V207 Q477 L480 F481	F169-V173 HydrophobicContact CE1-CG2 4.09Å; F169-V173 HydrophobicContact CE2-CG2 3.98Å; F169-V173 HydrophobicContact CZ-CG2 3.74Å; F169-V173 WeakPolarHBondContact O-CG2 3.43Å; F169-V173 PolarHBondContact O-N 3.45Å; E170-V173 PolarHBondContact O-N 3.03Å; V173-A175 PolarHBondContact O-N 3.07Å; V173-E176 PolarHBondContact O-N 2.78Å; V173-F177 VanDerWaalsContact O-CB 3.29Å; V173-F177 WeakPolarHBondContact O-CB 3.26Å; V173-F177 PolarHBondContact O-N 3.04Å; V173-V207 HydrophobicContact CG2-CG1 3.8Å; V173-V207 HydrophobicContact CG2-CG2 4.45Å; V173-Q477 HydrophobicContact CG2-CG 4.17Å; V173-L480 HydrophobicContact CB-CD2 3.7Å; V173-L480 HydrophobicContact CG1-CB 4.16Å; V173-L480 HydrophobicContact CG1-CD2 3.51Å; V173-L480 HydrophobicContact CG1-CG 3.82Å; V173-L480 HydrophobicContact CG2-CD2 4.38Å; V173-F481 HydrophobicContact CG1-CD2 3.67Å; V173-F481 HydrophobicContact CG1-CE2 3.68Å
174	L	95.2	Very high	93.3	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.11	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-47	179.9	174.7	58	0	0	0	111.8	E170 Q171 E176 F177 R178 L367 L484 L527	E170-L174 WeakPolarHBondContact O-CB 3.38Å; E170-L174 PolarHBondContact O-N 3.09Å; Q171-L174 PolarHBondContact O-N 3.1Å; L174-E176 VanDerWaalsContact C-N 3.3Å; L174-E176 PolarHBondContact O-N 2.97Å; L174-F177 PolarHBondContact O-N 3.37Å; L174-R178 PolarHBondContact O-N 3.28Å; L174-L367 HydrophobicContact CD1-CD1 3.56Å; L174-L367 HydrophobicContact CD2-CD1 3.79Å; L174-L367 HydrophobicContact CG-CD1 4.32Å; L174-L484 HydrophobicContact CD1-CD1 4.33Å; L174-L484 HydrophobicContact CD1-CD2 4.21Å; L174-L527 HydrophobicContact CD1-CD2 3.59Å
175	A	93.8	Very high	93.9	Very high	2 Å²	2	30 Å²	30	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-70.1	-29	-176.5	0	0	0	0	0	112.5	Q171 V173 R216 A531	Q171-A175 VanDerWaalsContact O-CB 3.26Å; Q171-A175 WeakPolarHBondContact O-CB 3.29Å; Q171-A175 PolarHBondContact O-N 3.23Å; V173-A175 PolarHBondContact O-N 3.07Å; A175-R216 PolarHBondContact O-NH2 2.83Å; A175-A531 HydrophobicContact CB-CB 4.34Å
176	E	95.5	Very high	94.5	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-76.1	-39.2	169.8	-79.2	-57.2	136	0	0	112.8	H172 V173 L174 R178 E179 L180 N206 V207 R216	H172-E176 WeakPolarHBondContact O-CB 3.38Å; H172-E176 PolarHBondContact O-N 3.13Å; V173-E176 PolarHBondContact O-N 2.78Å; L174-E176 VanDerWaalsContact C-N 3.3Å; L174-E176 PolarHBondContact O-N 2.97Å; E176-R178 VanDerWaalsContact C-N 3.32Å; E176-R178 PolarHBondContact O-N 2.79Å; E176-E179 PolarHBondContact O-N 2.71Å; E176-L180 WeakPolarHBondContact O-CB 3.48Å; E176-L180 PolarHBondContact O-N 3.16Å; E176-N206 HydrophobicContact CG-CB 3.78Å; E176-N206 WeakPolarHBondContact OE1-CB 3.48Å; E176-N206 PolarHBondContact OE1-ND2 3.16Å; E176-N206 VanDerWaalsContact OE2-CB 3.31Å; E176-N206 WeakPolarHBondContact OE2-CB 3.33Å; E176-N206 PolarHBondContact OE2-ND2 3.4Å; E176-V207 HydrophobicContact CB-CG2 3.62Å; E176-V207 HydrophobicContact CG-CG2 3.67Å; E176-R216 IonicContact OE1-CZ 3.87Å; E176-R216 IonicContact OE1-NE 3.32Å; E176-R216 PolarHBondContact OE1-NE 3.02Å; E176-R216 IonicContact OE1-NH2 3.37Å; E176-R216 PolarHBondContact OE1-NH2 3.05Å
177	F	96.9	Very high	94.9	Very high	1 Å²	1	34 Å²	34	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-44.6	175.6	178	-91.2	0	0	0	111.4	V173 L174 E179 L180 L181 F481 L484 L485 Q488 L527	V173-F177 VanDerWaalsContact O-CB 3.29Å; V173-F177 WeakPolarHBondContact O-CB 3.26Å; V173-F177 PolarHBondContact O-N 3.04Å; L174-F177 PolarHBondContact O-N 3.37Å; F177-E179 VanDerWaalsContact C-N 3.33Å; F177-E179 PolarHBondContact O-N 3.43Å; F177-L180 PolarHBondContact O-N 3.32Å; F177-L181 HydrophobicContact CE1-CB 4.27Å; F177-L181 HydrophobicContact CE1-CD2 3.85Å; F177-L181 HydrophobicContact CZ-CB 4.49Å; F177-L181 HydrophobicContact CZ-CD2 4.17Å; F177-L181 WeakPolarHBondContact O-CB 3.37Å; F177-L181 PolarHBondContact O-N 2.68Å; F177-F481 HydrophobicContact CB-CE1 4.31Å; F177-F481 AromaticContact CD2-CD1 3.76Å; F177-F481 HydrophobicContact CD2-CD1 3.76Å; F177-F481 AromaticContact CD2-CE1 3.92Å; F177-F481 HydrophobicContact CD2-CE1 3.92Å; F177-F481 HydrophobicContact CE2-CD1 4.49Å; F177-L484 HydrophobicContact CB-CD1 3.96Å; F177-L484 HydrophobicContact CD1-CB 3.86Å; F177-L484 HydrophobicContact CD1-CD1 4.05Å; F177-L484 HydrophobicContact CD1-CG 4.38Å; F177-L484 HydrophobicContact CD2-CB 3.85Å; F177-L484 HydrophobicContact CD2-CD1 4.28Å; F177-L484 HydrophobicContact CE1-CB 3.71Å; F177-L484 HydrophobicContact CE2-CB 3.69Å; F177-L484 HydrophobicContact CG-CB 3.93Å; F177-L484 HydrophobicContact CG-CD1 3.81Å; F177-L484 HydrophobicContact CG-CG 4.45Å; F177-L484 VanDerWaalsContact CZ-C 3.42Å; F177-L484 HydrophobicContact CZ-CB 3.63Å; F177-L484 WeakPolarHBondContact CZ-O 3.27Å; F177-L485 HydrophobicContact CE2-CB 4.48Å; F177-L485 HydrophobicContact CE2-CD2 3.64Å; F177-L485 HydrophobicContact CE2-CG 3.8Å; F177-L485 HydrophobicContact CZ-CD2 4.15Å; F177-L485 HydrophobicContact CZ-CG 4.47Å; F177-Q488 HydrophobicContact CE1-CB 4.07Å; F177-Q488 HydrophobicContact CE1-CG 4.03Å; F177-Q488 HydrophobicContact CZ-CB 4.26Å; F177-L527 HydrophobicContact CD1-CD1 4.26Å; F177-L527 HydrophobicContact CD1-CD2 3.78Å; F177-L527 HydrophobicContact CE1-CD1 3.98Å; F177-L527 HydrophobicContact CE1-CD2 4.04Å
178	R	96.1	Very high	95.3	Very high	53 Å²	53	28.4 Å²	28.4	20%	0.2	13%	0.132	C	C	.	.	H	α-helix	trans	-54.8	-49.5	175.8	180	-172.4	70.8	173.9	0.8	111.5	L174 E176 L181 R182 M524 L527 D528	L174-R178 PolarHBondContact O-N 3.28Å; E176-R178 VanDerWaalsContact C-N 3.32Å; E176-R178 PolarHBondContact O-N 2.79Å; R178-L181 PolarHBondContact O-N 3.42Å; R178-R182 WeakPolarHBondContact O-CB 3.37Å; R178-R182 PolarHBondContact O-N 2.82Å; R178-M524 HydrophobicContact CG-CE 3.93Å; R178-L527 HydrophobicContact CB-CB 4.33Å; R178-L527 HydrophobicContact CG-CB 4.06Å; R178-D528 WeakPolarHBondContact CD-OD1 3.39Å
179	E	95.6	Very high	95.7	Very high	42 Å²	42	35.9 Å²	35.9	20%	0.196	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-43	-178.7	-179	56.1	-159	0	0	111.6	E176 F177 L181 R182 R183 Y219	E176-E179 PolarHBondContact O-N 2.71Å; F177-E179 VanDerWaalsContact C-N 3.33Å; F177-E179 PolarHBondContact O-N 3.43Å; E179-L181 PolarHBondContact O-N 2.69Å; E179-R182 PolarHBondContact O-N 3.42Å; E179-R182 IonicContact OE1-CZ 2.87Å; E179-R182 IonicContact OE1-NE 2.91Å; E179-R182 IonicContact OE1-NH2 3.7Å; E179-R182 PolarHBondContact OE1-NH2 2.88Å; E179-R182 IonicContact OE2-CZ 2.7Å; E179-R182 IonicContact OE2-NE 3.36Å; E179-R182 PolarHBondContact OE2-NE 2.58Å; E179-R182 IonicContact OE2-NH2 3.73Å; E179-R183 WeakPolarHBondContact O-CG 3.34Å; E179-R183 PolarHBondContact O-N 2.69Å; E179-Y219 HydrophobicContact CB-CE2 4.42Å; E179-Y219 HydrophobicContact CG-CD2 3.98Å; E179-Y219 HydrophobicContact CG-CE2 3.6Å
180	L	96.7	Very high	96	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-58.5	-47	175.2	-178.2	66.4	0	0	0	111.5	E176 F177 R183 F184 D199 L200 Y219 F481	E176-L180 WeakPolarHBondContact O-CB 3.48Å; E176-L180 PolarHBondContact O-N 3.16Å; F177-L180 PolarHBondContact O-N 3.32Å; L180-R183 PolarHBondContact O-N 3.03Å; L180-F184 HydrophobicContact CD1-CD1 4.06Å; L180-F184 HydrophobicContact CD1-CE1 3.46Å; L180-F184 VanDerWaalsContact CD1-CE1 3.46Å; L180-F184 HydrophobicContact CD1-CE2 4.17Å; L180-F184 HydrophobicContact CD1-CZ 3.52Å; L180-F184 HydrophobicContact CD2-CE2 4.16Å; L180-F184 HydrophobicContact CD2-CZ 4.16Å; L180-F184 HydrophobicContact CG-CD1 4.44Å; L180-F184 HydrophobicContact CG-CD2 4.35Å; L180-F184 HydrophobicContact CG-CE1 4.09Å; L180-F184 HydrophobicContact CG-CE2 3.97Å; L180-F184 HydrophobicContact CG-CZ 3.84Å; L180-F184 WeakPolarHBondContact O-CD1 3.5Å; L180-F184 WeakPolarHBondContact O-CG 3.07Å; L180-F184 PolarHBondContact O-N 3.31Å; L180-D199 HydrophobicContact CD1-CB 3.74Å; L180-L200 HydrophobicContact CD2-CD2 3.92Å; L180-Y219 HydrophobicContact CD1-CE1 4.43Å; L180-F481 HydrophobicContact CD2-CE1 4Å
181	L	97.8	Very high	96.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-42.6	-179.4	-177.9	59.3	0	0	0	111.7	F177 R178 E179 R183 F184 V185 Q488 C489 V518 L520 M524 L527	F177-L181 HydrophobicContact CE1-CB 4.27Å; F177-L181 HydrophobicContact CE1-CD2 3.85Å; F177-L181 HydrophobicContact CZ-CB 4.49Å; F177-L181 HydrophobicContact CZ-CD2 4.17Å; F177-L181 WeakPolarHBondContact O-CB 3.37Å; F177-L181 PolarHBondContact O-N 2.68Å; R178-L181 PolarHBondContact O-N 3.42Å; E179-L181 PolarHBondContact O-N 2.69Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 3.32Å; L181-F184 PolarHBondContact O-N 2.81Å; L181-V185 HydrophobicContact CD1-CG2 4.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.31Å; L181-V185 PolarHBondContact O-N 3.28Å; L181-Q488 HydrophobicContact CD2-CB 3.75Å; L181-C489 HydrophobicContact CD1-CB 3.74Å; L181-V518 HydrophobicContact CD1-CG1 3.68Å; L181-L520 HydrophobicContact CD1-CD2 4.23Å; L181-L520 HydrophobicContact CD2-CD2 3.73Å; L181-L520 HydrophobicContact CG-CD2 3.98Å; L181-M524 HydrophobicContact CB-CE 4.42Å; L181-M524 HydrophobicContact CD2-CE 4.33Å; L181-M524 HydrophobicContact CD2-SD 3.78Å; L181-M524 HydrophobicContact CG-CE 4.42Å; L181-M524 HydrophobicContact CG-SD 4.07Å; L181-L527 HydrophobicContact CD2-CD1 3.59Å
182	R	96.9	Very high	96.3	Very high	92 Å²	92	50 Å²	50	35%	0.347	23%	0.227	S	C	.	.	H	α-helix	trans	-53.9	-49.9	173.9	-173.5	-172.9	72.4	79.6	1.1	110.8	R178 E179 F184 V185 E186 M524	R178-R182 WeakPolarHBondContact O-CB 3.37Å; R178-R182 PolarHBondContact O-N 2.82Å; E179-R182 PolarHBondContact O-N 3.42Å; E179-R182 IonicContact OE1-CZ 2.87Å; E179-R182 IonicContact OE1-NE 2.91Å; E179-R182 IonicContact OE1-NH2 3.7Å; E179-R182 PolarHBondContact OE1-NH2 2.88Å; E179-R182 IonicContact OE2-CZ 2.7Å; E179-R182 IonicContact OE2-NE 3.36Å; E179-R182 PolarHBondContact OE2-NE 2.58Å; E179-R182 IonicContact OE2-NH2 3.73Å; R182-F184 PolarHBondContact O-N 2.92Å; R182-V185 PolarHBondContact O-N 3.02Å; R182-E186 IonicContact CZ-OE1 2.81Å; R182-E186 IonicContact CZ-OE2 2.63Å; R182-E186 IonicContact NH1-OE1 3.64Å; R182-E186 PolarHBondContact NH1-OE1 2.9Å; R182-E186 IonicContact NH1-OE2 3.75Å; R182-E186 PolarHBondContact NH1-OE2 2.9Å; R182-E186 WeakPolarHBondContact O-CG 3.41Å; R182-E186 PolarHBondContact O-N 2.93Å; R182-M524 HydrophobicContact CB-CE 4.45Å
183	R	96.1	Very high	96.5	Very high	30 Å²	30	50.3 Å²	50.3	11%	0.113	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-41.3	177.9	-67.9	179.8	74.1	84.5	-3.2	112.5	E179 L180 L181 V185 E186 K187 D199 Y219 E220	E179-R183 WeakPolarHBondContact O-CG 3.34Å; E179-R183 PolarHBondContact O-N 2.69Å; L180-R183 PolarHBondContact O-N 3.03Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 3.32Å; R183-V185 PolarHBondContact O-N 3.21Å; R183-E186 PolarHBondContact O-N 3.21Å; R183-K187 WeakPolarHBondContact O-CB 3.39Å; R183-K187 WeakPolarHBondContact O-CG 3.47Å; R183-K187 PolarHBondContact O-N 3.12Å; R183-D199 IonicContact NE-OD1 3.52Å; R183-D199 PolarHBondContact NE-OD1 3.4Å; R183-D199 IonicContact NH2-OD1 3.29Å; R183-Y219 VanDerWaalsContact CZ-CB 3.43Å; R183-Y219 VanDerWaalsContact NE-CD1 3.31Å; R183-E220 IonicContact CZ-OE1 3.31Å; R183-E220 VanDerWaalsContact CZ-OE1 3.29Å; R183-E220 IonicContact NH1-OE1 3.38Å; R183-E220 PolarHBondContact NH1-OE1 3.17Å; R183-E220 IonicContact NH1-OE2 3.51Å; R183-E220 IonicContact NH2-OE1 2.89Å; R183-E220 PolarHBondContact NH2-OE1 3.01Å
184	F	97.9	Very high	96.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-42.1	177.6	-77.4	2.1	0	0	0	112.4	L180 L181 R182 T188 F194 P196 D199 L200 I341 I516 V518	L180-F184 HydrophobicContact CD1-CD1 4.06Å; L180-F184 HydrophobicContact CD1-CE1 3.46Å; L180-F184 VanDerWaalsContact CD1-CE1 3.46Å; L180-F184 HydrophobicContact CD1-CE2 4.17Å; L180-F184 HydrophobicContact CD1-CZ 3.52Å; L180-F184 HydrophobicContact CD2-CE2 4.16Å; L180-F184 HydrophobicContact CD2-CZ 4.16Å; L180-F184 HydrophobicContact CG-CD1 4.44Å; L180-F184 HydrophobicContact CG-CD2 4.35Å; L180-F184 HydrophobicContact CG-CE1 4.09Å; L180-F184 HydrophobicContact CG-CE2 3.97Å; L180-F184 HydrophobicContact CG-CZ 3.84Å; L180-F184 WeakPolarHBondContact O-CD1 3.5Å; L180-F184 WeakPolarHBondContact O-CG 3.07Å; L180-F184 PolarHBondContact O-N 3.31Å; L181-F184 PolarHBondContact O-N 2.81Å; R182-F184 PolarHBondContact O-N 2.92Å; F184-T188 WeakPolarHBondContact O-CB 3.32Å; F184-T188 PolarHBondContact O-N 2.98Å; F184-T188 PolarHBondContact O-OG1 3.37Å; F184-F194 HydrophobicContact CB-CE1 4.37Å; F184-F194 HydrophobicContact CB-CZ 3.7Å; F184-F194 AromaticContact CD1-CE2 3.42Å; F184-F194 HydrophobicContact CD1-CE2 3.42Å; F184-F194 VanDerWaalsContact CD1-CE2 3.42Å; F184-F194 AromaticContact CD1-CZ 3.42Å; F184-F194 HydrophobicContact CD1-CZ 3.42Å; F184-F194 VanDerWaalsContact CD1-CZ 3.42Å; F184-F194 HydrophobicContact CD2-CZ 4.25Å; F184-F194 AromaticContact CE1-CE2 3.61Å; F184-F194 HydrophobicContact CE1-CE2 3.61Å; F184-F194 AromaticContact CE1-CZ 3.99Å; F184-F194 HydrophobicContact CE1-CZ 3.99Å; F184-F194 HydrophobicContact CG-CE2 4.04Å; F184-F194 AromaticContact CG-CZ 3.54Å; F184-F194 HydrophobicContact CG-CZ 3.54Å; F184-F194 HydrophobicContact CZ-CE2 4.38Å; F184-F194 WeakPolarHBondContact O-CE1 3.3Å; F184-P196 HydrophobicContact CE1-CB 4.17Å; F184-P196 HydrophobicContact CZ-CB 3.8Å; F184-D199 HydrophobicContact CE1-CB 3.77Å; F184-L200 HydrophobicContact CE2-CD2 4.46Å; F184-L200 HydrophobicContact CZ-CD2 4.02Å; F184-L200 HydrophobicContact CZ-CG 4.19Å; F184-I341 HydrophobicContact CE2-CD1 4.26Å; F184-I516 HydrophobicContact CE2-CD1 4.31Å; F184-V518 HydrophobicContact CB-CB 4.02Å; F184-V518 HydrophobicContact CB-CG1 4.32Å; F184-V518 HydrophobicContact CB-CG2 3.9Å; F184-V518 HydrophobicContact CD2-CG2 3.96Å; F184-V518 HydrophobicContact CG-CG2 4.27Å
185	V	98	Very high	96.7	Very high	15 Å²	15	55.4 Å²	55.4	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-42.8	175.8	172.7	0	0	0	0	110.9	L181 R182 R183 T188 R189 L520	L181-V185 HydrophobicContact CD1-CG2 4.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.31Å; L181-V185 PolarHBondContact O-N 3.28Å; R182-V185 PolarHBondContact O-N 3.02Å; R183-V185 PolarHBondContact O-N 3.21Å; V185-T188 WeakPolarHBondContact O-CB 3.34Å; V185-T188 PolarHBondContact O-N 3.05Å; V185-R189 WeakPolarHBondContact O-CG 3.47Å; V185-R189 PolarHBondContact O-N 3.44Å; V185-L520 HydrophobicContact CG2-CD2 3.87Å; V185-L520 HydrophobicContact CG2-CG 3.97Å
186	E	97.4	Very high	96.7	Very high	85 Å²	85	55.5 Å²	55.5	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-46.3	177	-75.3	170.3	-174.2	0	0	112.5	R182 R183 T188 R189 A190	R182-E186 IonicContact CZ-OE1 2.81Å; R182-E186 IonicContact CZ-OE2 2.63Å; R182-E186 IonicContact NH1-OE1 3.64Å; R182-E186 PolarHBondContact NH1-OE1 2.9Å; R182-E186 IonicContact NH1-OE2 3.75Å; R182-E186 PolarHBondContact NH1-OE2 2.9Å; R182-E186 WeakPolarHBondContact O-CG 3.41Å; R182-E186 PolarHBondContact O-N 2.93Å; R183-E186 PolarHBondContact O-N 3.21Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 3.07Å; E186-R189 WeakPolarHBondContact O-CB 3.23Å; E186-R189 PolarHBondContact O-N 3.09Å; E186-R189 VanDerWaalsContact O-N 3.14Å; E186-A190 PolarHBondContact O-N 2.87Å
187	K	97.4	Very high	96.5	Very high	51 Å²	51	56.4 Å²	56.4	22%	0.222	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-37.3	175	-73.1	-173.8	173.4	-168.1	0	112.4	R183 R189 A190 E191 F194 D199	R183-K187 WeakPolarHBondContact O-CB 3.39Å; R183-K187 WeakPolarHBondContact O-CG 3.47Å; R183-K187 PolarHBondContact O-N 3.12Å; K187-R189 VanDerWaalsContact C-N 3.3Å; K187-R189 PolarHBondContact O-N 3.15Å; K187-A190 PolarHBondContact O-N 3.42Å; K187-E191 WeakPolarHBondContact O-CB 3.32Å; K187-E191 PolarHBondContact O-N 3.46Å; K187-F194 HydrophobicContact CB-CB 4.11Å; K187-F194 HydrophobicContact CB-CD1 3.57Å; K187-F194 HydrophobicContact CB-CD2 4.11Å; K187-F194 HydrophobicContact CB-CE1 4.02Å; K187-F194 HydrophobicContact CB-CG 3.64Å; K187-F194 HydrophobicContact CB-CZ 4.47Å; K187-F194 HydrophobicContact CD-CB 4.31Å; K187-F194 HydrophobicContact CD-CD2 3.67Å; K187-F194 HydrophobicContact CD-CE2 4.17Å; K187-F194 HydrophobicContact CD-CG 3.94Å; K187-F194 HydrophobicContact CG-CG 4.44Å; K187-D199 IonicContact NZ-OD1 3.55Å; K187-D199 PolarHBondContact NZ-OD1 3.11Å; K187-D199 IonicContact NZ-OD2 3.7Å; K187-D199 PolarHBondContact NZ-OD2 3.11Å
188	T	98	Very high	96.2	Very high	30 Å²	30	61.4 Å²	61.4	18%	0.184	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-40.3	173.3	-57.8	0	0	0	0	111.1	F184 V185 E186 R192 F194 A517 V518	F184-T188 WeakPolarHBondContact O-CB 3.32Å; F184-T188 PolarHBondContact O-N 2.98Å; F184-T188 PolarHBondContact O-OG1 3.37Å; V185-T188 WeakPolarHBondContact O-CB 3.34Å; V185-T188 PolarHBondContact O-N 3.05Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 3.07Å; T188-R192 WeakPolarHBondContact O-CA 3.35Å; T188-R192 PolarHBondContact O-N 2.85Å; T188-F194 WeakPolarHBondContact OG1-CE1 3.33Å; T188-A517 HydrophobicContact CG2-CB 3.85Å; T188-V518 PolarHBondContact OG1-N 2.94Å; T188-V518 PolarHBondContact OG1-O 2.86Å
189	R	97.3	Very high	96	Very high	201 Å²	201	59.1 Å²	59.1	76%	0.758	28%	0.283	S	S	*	.	H	α-helix	trans	-67.6	-38	176.4	-70	172.9	-176.7	179.1	1.8	112.6	V185 E186 K187	V185-R189 WeakPolarHBondContact O-CG 3.47Å; V185-R189 PolarHBondContact O-N 3.44Å; E186-R189 WeakPolarHBondContact O-CB 3.23Å; E186-R189 PolarHBondContact O-N 3.09Å; E186-R189 VanDerWaalsContact O-N 3.14Å; K187-R189 VanDerWaalsContact C-N 3.3Å; K187-R189 PolarHBondContact O-N 3.15Å
190	A	97.4	Very high	95.9	Very high	83 Å²	83	57.2 Å²	57.2	69%	0.686	28%	0.275	S	S	*	.	H	α-helix	trans	-79.6	-42.6	-176.8	0	0	0	0	0	113.5	E186 K187	E186-A190 PolarHBondContact O-N 2.87Å; K187-A190 PolarHBondContact O-N 3.42Å
191	E	96.1	Very high	95.6	Very high	119 Å²	119	58.1 Å²	58.1	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-117	-8	-167.2	-60	173.4	-130.2	0	0	113.1	K187 Y193	K187-E191 WeakPolarHBondContact O-CB 3.32Å; K187-E191 PolarHBondContact O-N 3.46Å; E191-Y193 PolarHBondContact O-N 3.06Å
192	R	94.9	Very high	95.3	Very high	172 Å²	172	58.4 Å²	58.4	65%	0.649	28%	0.282	S	S	*	.	S	Bend	trans	64.5	-55.2	-167.9	-170.1	-179.6	177.8	170.6	0.2	113.8	T188 A517	T188-R192 WeakPolarHBondContact O-CA 3.35Å; T188-R192 PolarHBondContact O-N 2.85Å; R192-A517 WeakPolarHBondContact O-CB 3.31Å
193	Y	97.3	Very high	95.1	Very high	50 Å²	50	54 Å²	54	20%	0.196	27%	0.265	C	S	.	.	S	Bend	trans	-128.8	131.9	175.2	-56.4	-77.1	0	0	0	110.3	E191 D494 P495 I516 A517	E191-Y193 PolarHBondContact O-N 3.06Å; Y193-D494 HydrophobicContact CD1-CB 4.23Å; Y193-D494 HydrophobicContact CD2-CB 3.95Å; Y193-D494 HydrophobicContact CE1-CB 4.15Å; Y193-D494 HydrophobicContact CE2-CB 3.8Å; Y193-D494 HydrophobicContact CG-CB 4.16Å; Y193-P495 WeakPolarHBondContact OH-CD 3.4Å; Y193-I516 CarbonylContact C-O 3.6Å; Y193-I516 VanDerWaalsContact CA-O 3.27Å; Y193-I516 WeakPolarHBondContact CA-O 3.27Å; Y193-A517 HydrophobicContact CD1-CB 3.6Å; Y193-A517 HydrophobicContact CE1-CB 3.69Å
194	F	97	Very high	95	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.022	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-133.6	159.3	-177.5	68.2	-84	0	0	0	111.2	F184 K187 T188 P196 A515 I516 V518	F184-F194 HydrophobicContact CB-CE1 4.37Å; F184-F194 HydrophobicContact CB-CZ 3.7Å; F184-F194 AromaticContact CD1-CE2 3.42Å; F184-F194 HydrophobicContact CD1-CE2 3.42Å; F184-F194 VanDerWaalsContact CD1-CE2 3.42Å; F184-F194 AromaticContact CD1-CZ 3.42Å; F184-F194 HydrophobicContact CD1-CZ 3.42Å; F184-F194 VanDerWaalsContact CD1-CZ 3.42Å; F184-F194 HydrophobicContact CD2-CZ 4.25Å; F184-F194 AromaticContact CE1-CE2 3.61Å; F184-F194 HydrophobicContact CE1-CE2 3.61Å; F184-F194 AromaticContact CE1-CZ 3.99Å; F184-F194 HydrophobicContact CE1-CZ 3.99Å; F184-F194 HydrophobicContact CG-CE2 4.04Å; F184-F194 AromaticContact CG-CZ 3.54Å; F184-F194 HydrophobicContact CG-CZ 3.54Å; F184-F194 HydrophobicContact CZ-CE2 4.38Å; F184-F194 WeakPolarHBondContact O-CE1 3.3Å; K187-F194 HydrophobicContact CB-CB 4.11Å; K187-F194 HydrophobicContact CB-CD1 3.57Å; K187-F194 HydrophobicContact CB-CD2 4.11Å; K187-F194 HydrophobicContact CB-CE1 4.02Å; K187-F194 HydrophobicContact CB-CG 3.64Å; K187-F194 HydrophobicContact CB-CZ 4.47Å; K187-F194 HydrophobicContact CD-CB 4.31Å; K187-F194 HydrophobicContact CD-CD2 3.67Å; K187-F194 HydrophobicContact CD-CE2 4.17Å; K187-F194 HydrophobicContact CD-CG 3.94Å; K187-F194 HydrophobicContact CG-CG 4.44Å; T188-F194 WeakPolarHBondContact OG1-CE1 3.33Å; F194-P196 HydrophobicContact CE2-CB 4.11Å; F194-A515 CarbonylContact O-C 3.55Å; F194-A515 VanDerWaalsContact O-CA 3.26Å; F194-A515 WeakPolarHBondContact O-CA 3.44Å; F194-I516 VanDerWaalsContact CD1-O 3.31Å; F194-I516 WeakPolarHBondContact CD1-O 3.49Å; F194-I516 HydrophobicContact CE1-CG1 4.01Å; F194-I516 HydrophobicContact CE2-CD1 4.26Å; F194-I516 HydrophobicContact CE2-CG1 4.08Å; F194-I516 HydrophobicContact CZ-CD1 3.88Å; F194-I516 HydrophobicContact CZ-CG1 3.72Å; F194-I516 PolarHBondContact N-O 2.9Å; F194-I516 PolarHBondContact O-N 2.77Å; F194-V518 HydrophobicContact CE1-CG2 4.4Å; F194-V518 HydrophobicContact CZ-CG2 4.26Å
195	Q	95.8	Very high	94.7	Very high	123 Å²	123	52.5 Å²	52.5	58%	0.575	26%	0.26	S	S	*	.			trans	-84.9	122.6	175.2	-66.5	-176.9	-3.7	0	0	110.6
196	P	95.3	Very high	94.5	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.019	26%	0.255	C	S	.	.			trans	-85.9	-11.1	-173.3	34.2	-36	0	0	0	114.1	F184 F194 T198 D199 L200 Y514 I516	F184-P196 HydrophobicContact CE1-CB 4.17Å; F184-P196 HydrophobicContact CZ-CB 3.8Å; F194-P196 HydrophobicContact CE2-CB 4.11Å; P196-T198 PolarHBondContact O-N 2.62Å; P196-D199 PolarHBondContact O-N 2.71Å; P196-L200 HydrophobicContact CB-CD1 3.9Å; P196-L200 HydrophobicContact CB-CG 4.28Å; P196-L200 HydrophobicContact CG-CD1 4.17Å; P196-L200 VanDerWaalsContact O-CG 3.3Å; P196-L200 WeakPolarHBondContact O-CG 3.3Å; P196-L200 PolarHBondContact O-N 3.45Å; P196-Y514 WeakPolarHBondContact CD-O 3.3Å; P196-Y514 HydrophobicContact CG-CD2 4.33Å; P196-Y514 HydrophobicContact CG-CE2 3.57Å; P196-I516 HydrophobicContact CB-CD1 3.72Å; P196-I516 HydrophobicContact CB-CG1 4.2Å; P196-I516 HydrophobicContact CG-CD1 3.89Å; P196-I516 HydrophobicContact CG-CG1 4.12Å; P196-I516 HydrophobicContact CG-CG2 4.48Å
197	G	91.4	Very high	94.3	Very high	22 Å²	22	47.7 Å²	47.7	23%	0.227	24%	0.236	C	C	.	.	H	α-helix	trans	-53.2	-49.9	-167.9	0	0	0	0	0	114.2	L200 V201	G197-L200 PolarHBondContact O-N 2.9Å; G197-V201 VanDerWaalsContact O-CG2 3.23Å; G197-V201 WeakPolarHBondContact O-CG2 3.49Å; G197-V201 PolarHBondContact O-N 3.02Å; G197-V201 VanDerWaalsContact O-N 3.08Å
198	T	89.3	Confident	94.1	Very high	106 Å²	106	45.5 Å²	45.5	65%	0.65	23%	0.227	S	C	*	.	H	α-helix	trans	-63.3	-44.6	-179	-55.1	0	0	0	0	112.3	P196 L200 V201 V202	P196-T198 PolarHBondContact O-N 2.62Å; T198-L200 PolarHBondContact O-N 3.29Å; T198-V201 PolarHBondContact O-N 3.37Å; T198-V202 WeakPolarHBondContact O-CG2 3.45Å; T198-V202 PolarHBondContact O-N 2.67Å
199	D	92.3	Very high	93.9	Very high	5 Å²	5	44 Å²	44	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-35.8	-179.6	-59.5	-80.6	0	0	0	111.6	L180 R183 F184 K187 P196 V202 S203 Y219	L180-D199 HydrophobicContact CD1-CB 3.74Å; R183-D199 IonicContact NE-OD1 3.52Å; R183-D199 PolarHBondContact NE-OD1 3.4Å; R183-D199 IonicContact NH2-OD1 3.29Å; F184-D199 HydrophobicContact CE1-CB 3.77Å; K187-D199 IonicContact NZ-OD1 3.55Å; K187-D199 PolarHBondContact NZ-OD1 3.11Å; K187-D199 IonicContact NZ-OD2 3.7Å; K187-D199 PolarHBondContact NZ-OD2 3.11Å; P196-D199 PolarHBondContact O-N 2.71Å; D199-V202 PolarHBondContact O-N 3.42Å; D199-S203 VanDerWaalsContact O-CB 3.32Å; D199-S203 WeakPolarHBondContact O-CB 3.44Å; D199-S203 PolarHBondContact O-N 3.2Å; D199-Y219 HydrophobicContact CB-CE1 4.14Å
200	L	93.9	Very high	93.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-39.6	175.7	-68.6	167.4	0	0	0	112.5	L180 F184 P196 G197 T198 T204 L337 Q338 I341	L180-L200 HydrophobicContact CD2-CD2 3.92Å; F184-L200 HydrophobicContact CE2-CD2 4.46Å; F184-L200 HydrophobicContact CZ-CD2 4.02Å; F184-L200 HydrophobicContact CZ-CG 4.19Å; P196-L200 HydrophobicContact CB-CD1 3.9Å; P196-L200 HydrophobicContact CB-CG 4.28Å; P196-L200 HydrophobicContact CG-CD1 4.17Å; P196-L200 VanDerWaalsContact O-CG 3.3Å; P196-L200 WeakPolarHBondContact O-CG 3.3Å; P196-L200 PolarHBondContact O-N 3.45Å; G197-L200 PolarHBondContact O-N 2.9Å; T198-L200 PolarHBondContact O-N 3.29Å; L200-T204 WeakPolarHBondContact O-CB 3.44Å; L200-T204 PolarHBondContact O-N 3.23Å; L200-T204 PolarHBondContact O-OG1 3.45Å; L200-L337 HydrophobicContact CD2-CB 4.24Å; L200-Q338 HydrophobicContact CB-CG 4.5Å; L200-Q338 HydrophobicContact CD1-CB 4.41Å; L200-Q338 HydrophobicContact CD1-CG 3.59Å; L200-I341 HydrophobicContact CD1-CD1 3.67Å; L200-I341 HydrophobicContact CD2-CD1 3.45Å; L200-I341 VanDerWaalsContact CD2-CD1 3.45Å; L200-I341 HydrophobicContact CG-CD1 4.11Å
201	V	90.8	Very high	93.5	Very high	23 Å²	23	30.8 Å²	30.8	14%	0.139	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-45.9	175.7	173.3	0	0	0	0	109.9	G197 T198 A205 V228	G197-V201 VanDerWaalsContact O-CG2 3.23Å; G197-V201 WeakPolarHBondContact O-CG2 3.49Å; G197-V201 PolarHBondContact O-N 3.02Å; G197-V201 VanDerWaalsContact O-N 3.08Å; T198-V201 PolarHBondContact O-N 3.37Å; V201-A205 WeakPolarHBondContact O-CB 3.39Å; V201-A205 PolarHBondContact O-N 3.49Å; V201-V228 HydrophobicContact CB-CG1 4.46Å; V201-V228 HydrophobicContact CG1-CG1 3.39Å
202	V	91.4	Very high	93.4	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-43.6	176.6	174.5	0	0	0	0	112.2	T198 D199 T204 A205 N206 Y219 F224 V228	T198-V202 WeakPolarHBondContact O-CG2 3.45Å; T198-V202 PolarHBondContact O-N 2.67Å; D199-V202 PolarHBondContact O-N 3.42Å; V202-T204 PolarHBondContact O-N 2.88Å; V202-A205 WeakPolarHBondContact O-CB 3.47Å; V202-A205 PolarHBondContact O-N 3.16Å; V202-N206 PolarHBondContact O-N 2.9Å; V202-Y219 HydrophobicContact CB-CD1 4Å; V202-Y219 HydrophobicContact CB-CE1 3.94Å; V202-Y219 HydrophobicContact CG1-CD1 3.58Å; V202-Y219 HydrophobicContact CG1-CD2 4.23Å; V202-Y219 HydrophobicContact CG1-CE1 3.74Å; V202-Y219 HydrophobicContact CG1-CE2 4.34Å; V202-Y219 HydrophobicContact CG1-CG 3.85Å; V202-F224 HydrophobicContact CG1-CD1 4.5Å; V202-F224 HydrophobicContact CG1-CE1 4.25Å; V202-V228 HydrophobicContact CG2-CG1 4.12Å
203	S	93.1	Very high	93.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-47.5	178.5	-175.3	0	0	0	0	111.7	D199 A205 N206 V207 Y219	D199-S203 VanDerWaalsContact O-CB 3.32Å; D199-S203 WeakPolarHBondContact O-CB 3.44Å; D199-S203 PolarHBondContact O-N 3.2Å; S203-A205 VanDerWaalsContact C-N 3.3Å; S203-A205 PolarHBondContact O-N 2.93Å; S203-N206 PolarHBondContact O-N 2.7Å; S203-V207 WeakPolarHBondContact O-CG2 3.13Å; S203-V207 PolarHBondContact O-N 2.76Å; S203-V207 VanDerWaalsContact O-N 3.08Å; S203-Y219 WeakPolarHBondContact CA-OH 3.39Å; S203-Y219 VanDerWaalsContact CB-OH 3.23Å; S203-Y219 WeakPolarHBondContact CB-OH 3.45Å
204	T	92.6	Very high	92.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-42.7	176.2	-57.4	0	0	0	0	111.2	L200 V202 N206 V207 M208 L333	L200-T204 WeakPolarHBondContact O-CB 3.44Å; L200-T204 PolarHBondContact O-N 3.23Å; L200-T204 PolarHBondContact O-OG1 3.45Å; V202-T204 PolarHBondContact O-N 2.88Å; T204-N206 VanDerWaalsContact C-N 3.34Å; T204-N206 PolarHBondContact O-N 3.3Å; T204-V207 PolarHBondContact O-N 3.46Å; T204-M208 WeakPolarHBondContact O-CG 3.39Å; T204-M208 PolarHBondContact O-N 2.84Å; T204-M208 VanDerWaalsContact O-N 3.14Å; T204-L333 HydrophobicContact CG2-CB 3.38Å; T204-L333 HydrophobicContact CG2-CD1 4.1Å; T204-L333 HydrophobicContact CG2-CG 4.4Å
205	A	92.2	Very high	92.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-44.8	177.5	0	0	0	0	0	112	V201 V202 S203 M208 S209 F224 V228	V201-A205 WeakPolarHBondContact O-CB 3.39Å; V201-A205 PolarHBondContact O-N 3.49Å; V202-A205 WeakPolarHBondContact O-CB 3.47Å; V202-A205 PolarHBondContact O-N 3.16Å; S203-A205 VanDerWaalsContact C-N 3.3Å; S203-A205 PolarHBondContact O-N 2.93Å; A205-M208 PolarHBondContact O-N 3.36Å; A205-S209 VanDerWaalsContact O-CB 3.23Å; A205-S209 WeakPolarHBondContact O-CB 3.45Å; A205-S209 PolarHBondContact O-N 3.37Å; A205-F224 HydrophobicContact CB-CE1 3.76Å; A205-F224 HydrophobicContact CB-CE2 4.31Å; A205-F224 HydrophobicContact CB-CZ 3.38Å; A205-V228 HydrophobicContact CB-CB 4.46Å; A205-V228 HydrophobicContact CB-CG1 4.16Å; A205-V228 HydrophobicContact CB-CG2 3.38Å
206	N	92.9	Very high	92	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-42.4	-179.8	-90.7	-21.8	0	0	0	112.5	E176 V202 S203 T204 M208 S209 A210 Y217 F224	E176-N206 HydrophobicContact CG-CB 3.78Å; E176-N206 WeakPolarHBondContact OE1-CB 3.48Å; E176-N206 PolarHBondContact OE1-ND2 3.16Å; E176-N206 VanDerWaalsContact OE2-CB 3.31Å; E176-N206 WeakPolarHBondContact OE2-CB 3.33Å; E176-N206 PolarHBondContact OE2-ND2 3.4Å; V202-N206 PolarHBondContact O-N 2.9Å; S203-N206 PolarHBondContact O-N 2.7Å; T204-N206 VanDerWaalsContact C-N 3.34Å; T204-N206 PolarHBondContact O-N 3.3Å; N206-M208 VanDerWaalsContact C-N 3.3Å; N206-M208 PolarHBondContact O-N 3.3Å; N206-S209 PolarHBondContact O-N 3.47Å; N206-A210 WeakPolarHBondContact O-CB 3.22Å; N206-A210 PolarHBondContact O-N 3.25Å; N206-Y217 PolarHBondContact ND2-O 3.13Å; N206-Y217 WeakPolarHBondContact OD1-CB 3.35Å; N206-Y217 PolarHBondContact OD1-N 3.13Å; N206-Y217 PolarHBondContact OD1-O 2.85Å; N206-F224 WeakPolarHBondContact OD1-CE1 3.3Å; N206-F224 WeakPolarHBondContact OD1-CZ 3.36Å
207	V	94.1	Very high	91.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-55.8	-50.8	174.9	171.2	0	0	0	0	109.5	F169 V173 E176 S203 T204 S209 A210 I211 F481	F169-V207 HydrophobicContact CE2-CG1 4.36Å; V173-V207 HydrophobicContact CG2-CG1 3.8Å; V173-V207 HydrophobicContact CG2-CG2 4.45Å; E176-V207 HydrophobicContact CB-CG2 3.62Å; E176-V207 HydrophobicContact CG-CG2 3.67Å; S203-V207 WeakPolarHBondContact O-CG2 3.13Å; S203-V207 PolarHBondContact O-N 2.76Å; S203-V207 VanDerWaalsContact O-N 3.08Å; T204-V207 PolarHBondContact O-N 3.46Å; V207-S209 VanDerWaalsContact C-N 3.35Å; V207-S209 PolarHBondContact O-N 3.43Å; V207-A210 PolarHBondContact O-N 3.31Å; V207-I211 HydrophobicContact CG1-CD1 3.59Å; V207-I211 WeakPolarHBondContact O-CD1 3.2Å; V207-I211 VanDerWaalsContact O-CG1 3.23Å; V207-I211 WeakPolarHBondContact O-CG1 3.38Å; V207-I211 PolarHBondContact O-N 3.05Å; V207-I211 VanDerWaalsContact O-N 3.11Å; V207-F481 HydrophobicContact CG2-CE2 4.19Å; V207-F481 HydrophobicContact CG2-CZ 4.43Å
208	M	93.8	Very high	91.3	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.02	13%	0.134	C	C	.	.	H	α-helix	trans	-71.4	-29.8	-177.9	-65.9	-59.6	-46.5	0	0	113	T204 A205 N206 I211 C212 I325 F326 S329 L333 L473	T204-M208 WeakPolarHBondContact O-CG 3.39Å; T204-M208 PolarHBondContact O-N 2.84Å; T204-M208 VanDerWaalsContact O-N 3.14Å; A205-M208 PolarHBondContact O-N 3.36Å; N206-M208 VanDerWaalsContact C-N 3.3Å; N206-M208 PolarHBondContact O-N 3.3Å; M208-I211 HydrophobicContact SD-CD1 4.01Å; M208-C212 WeakPolarHBondContact O-CB 3.41Å; M208-C212 PolarHBondContact O-N 3.5Å; M208-C212 PolarHBondContact O-SG 2.93Å; M208-I325 HydrophobicContact CE-CG2 4.32Å; M208-F326 HydrophobicContact CB-CD2 4.07Å; M208-F326 HydrophobicContact CB-CE2 4.18Å; M208-S329 WeakPolarHBondContact CB-OG 3.29Å; M208-S329 VanDerWaalsContact CG-OG 3.28Å; M208-S329 WeakPolarHBondContact CG-OG 3.19Å; M208-L333 HydrophobicContact CG-CD1 4.29Å; M208-L333 HydrophobicContact SD-CD1 4.22Å; M208-L473 HydrophobicContact CE-CD2 4.25Å
209	S	93.3	Very high	91	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.9	-40.6	174.3	-163.5	0	0	0	0	111.2	A205 N206 V207 C212 F213 G214 R215 Y217	A205-S209 VanDerWaalsContact O-CB 3.23Å; A205-S209 WeakPolarHBondContact O-CB 3.45Å; A205-S209 PolarHBondContact O-N 3.37Å; N206-S209 PolarHBondContact O-N 3.47Å; V207-S209 VanDerWaalsContact C-N 3.35Å; V207-S209 PolarHBondContact O-N 3.43Å; S209-C212 PolarHBondContact O-N 3.23Å; S209-F213 WeakPolarHBondContact O-CA 3.45Å; S209-F213 WeakPolarHBondContact O-CB 3.44Å; S209-F213 PolarHBondContact O-N 2.7Å; S209-G214 PolarHBondContact O-N 3.23Å; S209-R215 CarbonylContact C-O 3.55Å; S209-R215 VanDerWaalsContact CB-O 3.31Å; S209-R215 WeakPolarHBondContact CB-O 3.22Å; S209-R215 PolarHBondContact OG-O 3.33Å; S209-Y217 WeakPolarHBondContact OG-CE2 3.48Å
210	A	92.4	Very high	90.5	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-44.8	175.8	0	0	0	0	0	111.3	H172 N206 V207 G214 R215 R216	H172-A210 HydrophobicContact CB-CB 4.12Å; N206-A210 WeakPolarHBondContact O-CB 3.22Å; N206-A210 PolarHBondContact O-N 3.25Å; V207-A210 PolarHBondContact O-N 3.31Å; A210-G214 WeakPolarHBondContact O-CA 3.47Å; A210-G214 PolarHBondContact O-N 3.05Å; A210-R215 WeakPolarHBondContact CA-O 3.18Å; A210-R215 PolarHBondContact N-O 3.39Å; A210-R216 HydrophobicContact CB-CG 3.63Å
211	I	92.8	Very high	89.9	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-71.1	-37.1	-179.3	-62.3	154	0	0	0	112	F158 F169 V207 M208 D293 M294	F158-I211 HydrophobicContact CD1-CG2 4.01Å; F158-I211 HydrophobicContact CG-CG2 4.34Å; F169-I211 HydrophobicContact CD2-CD1 3.22Å; F169-I211 HydrophobicContact CD2-CG1 3.88Å; F169-I211 HydrophobicContact CE2-CD1 3.4Å; V207-I211 HydrophobicContact CG1-CD1 3.59Å; V207-I211 WeakPolarHBondContact O-CD1 3.2Å; V207-I211 VanDerWaalsContact O-CG1 3.23Å; V207-I211 WeakPolarHBondContact O-CG1 3.38Å; V207-I211 PolarHBondContact O-N 3.05Å; V207-I211 VanDerWaalsContact O-N 3.11Å; M208-I211 HydrophobicContact SD-CD1 4.01Å; I211-D293 WeakPolarHBondContact O-CB 3.37Å; I211-M294 HydrophobicContact CG2-CE 3.72Å; I211-M294 VanDerWaalsContact O-CB 3.3Å; I211-M294 WeakPolarHBondContact O-CB 3.42Å; I211-M294 PolarHBondContact O-N 3.46Å
212	C	94.1	Very high	89.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-84.2	-36.2	-176.9	-63.8	0	0	0	0	112.7	M208 S209 T295	M208-C212 WeakPolarHBondContact O-CB 3.41Å; M208-C212 PolarHBondContact O-N 3.5Å; M208-C212 PolarHBondContact O-SG 2.93Å; S209-C212 PolarHBondContact O-N 3.23Å; C212-T295 VanDerWaalsContact O-CB 3.3Å; C212-T295 WeakPolarHBondContact O-CB 3.44Å; C212-T295 PolarHBondContact O-N 2.94Å; C212-T295 PolarHBondContact O-OG1 2.98Å
213	F	92.9	Very high	88.3	Confident	7 Å²	7	33.6 Å²	33.6	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-133.4	9.3	-165.9	-46.5	-58.6	0	0	0	113.9	S209 R215 F274 I275 K278 H282 M322 F326	S209-F213 WeakPolarHBondContact O-CA 3.45Å; S209-F213 WeakPolarHBondContact O-CB 3.44Å; S209-F213 PolarHBondContact O-N 2.7Å; F213-R215 PolarHBondContact O-N 3.42Å; F213-F274 HydrophobicContact CE2-CE1 4.3Å; F213-I275 HydrophobicContact CE1-CD1 4.42Å; F213-I275 HydrophobicContact CE2-CD1 4.22Å; F213-I275 HydrophobicContact CZ-CD1 3.55Å; F213-K278 HydrophobicContact CB-CD 4.32Å; F213-K278 HydrophobicContact CD1-CB 3.79Å; F213-K278 HydrophobicContact CD1-CG 4.23Å; F213-K278 HydrophobicContact CE1-CB 4.13Å; F213-K278 HydrophobicContact CG-CB 4.22Å; F213-K278 HydrophobicContact CG-CD 4.42Å; F213-K278 HydrophobicContact CG-CG 4.2Å; F213-H282 WeakPolarHBondContact CA-NE2 3.42Å; F213-H282 PolarHBondContact O-CE1 3.35Å; F213-H282 PolarHBondContact O-NE2 2.9Å; F213-M322 HydrophobicContact CE1-CB 4.08Å; F213-M322 HydrophobicContact CE1-CG 4.47Å; F213-M322 HydrophobicContact CZ-CB 4.49Å; F213-F326 HydrophobicContact CE2-CB 4.28Å; F213-F326 HydrophobicContact CE2-CD1 4.31Å; F213-F326 AromaticContact CE2-CD2 3.72Å; F213-F326 HydrophobicContact CE2-CD2 3.72Å; F213-F326 HydrophobicContact CE2-CE2 4.11Å; F213-F326 AromaticContact CE2-CG 3.85Å; F213-F326 HydrophobicContact CE2-CG 3.85Å; F213-F326 HydrophobicContact CZ-CB 4.15Å; F213-F326 HydrophobicContact CZ-CD2 4.42Å; F213-F326 HydrophobicContact CZ-CG 4.19Å
214	G	89.6	Confident	87.6	Confident	49 Å²	49	33.7 Å²	33.7	51%	0.505	18%	0.182	S	C	.	.	S	Bend	trans	64.4	14.1	180	0	0	0	0	0	114.5	S209 A210 D293	S209-G214 PolarHBondContact O-N 3.23Å; A210-G214 WeakPolarHBondContact O-CA 3.47Å; A210-G214 PolarHBondContact O-N 3.05Å; G214-D293 PolarHBondContact N-OD2 2.83Å
215	R	86.7	Confident	86.8	Confident	124 Å²	124	39.2 Å²	39.2	47%	0.468	20%	0.203	S	C	.	.			trans	-128.4	136.5	-170.2	-132.4	-178.7	-170.5	-152.5	6.7	112.6	S209 A210 F213 Y217	S209-R215 CarbonylContact C-O 3.55Å; S209-R215 VanDerWaalsContact CB-O 3.31Å; S209-R215 WeakPolarHBondContact CB-O 3.22Å; S209-R215 PolarHBondContact OG-O 3.33Å; A210-R215 WeakPolarHBondContact CA-O 3.18Å; A210-R215 PolarHBondContact N-O 3.39Å; F213-R215 PolarHBondContact O-N 3.42Å; R215-Y217 HydrophobicContact CB-CE2 4.39Å
216	R	86.8	Confident	85.8	Confident	81 Å²	81	44.4 Å²	44.4	31%	0.306	23%	0.227	S	C	.	.			trans	-114.4	143.9	170.7	-68.2	171.8	61.9	-164.6	2.8	109.1	A175 E176 A210	A175-R216 PolarHBondContact O-NH2 2.83Å; E176-R216 IonicContact OE1-CZ 3.87Å; E176-R216 IonicContact OE1-NE 3.32Å; E176-R216 PolarHBondContact OE1-NE 3.02Å; E176-R216 IonicContact OE1-NH2 3.37Å; E176-R216 PolarHBondContact OE1-NH2 3.05Å; A210-R216 HydrophobicContact CB-CG 3.63Å
217	Y	86.6	Confident	84.7	Confident	14 Å²	14	44.9 Å²	44.9	6%	0.055	23%	0.23	C	C	.	.			trans	-110.9	152.3	-178.9	-67	-95.3	0	0	0	110.6	N206 S209 R215 D221 F224 K278	N206-Y217 PolarHBondContact ND2-O 3.13Å; N206-Y217 WeakPolarHBondContact OD1-CB 3.35Å; N206-Y217 PolarHBondContact OD1-N 3.13Å; N206-Y217 PolarHBondContact OD1-O 2.85Å; S209-Y217 WeakPolarHBondContact OG-CE2 3.48Å; R215-Y217 HydrophobicContact CB-CE2 4.39Å; Y217-D221 HydrophobicContact CD1-CB 4.28Å; Y217-F224 VanDerWaalsContact CB-CD1 3.48Å; Y217-F224 VanDerWaalsContact CB-CG 3.48Å; Y217-F224 HydrophobicContact CD1-CB 3.69Å; Y217-F224 HydrophobicContact CD1-CD2 4.1Å; Y217-F224 AromaticContact CD1-CG 4Å; Y217-F224 HydrophobicContact CD1-CG 4Å; Y217-F224 HydrophobicContact CD2-CB 4.34Å; Y217-F224 HydrophobicContact CD2-CD1 4.27Å; Y217-F224 AromaticContact CD2-CD2 3.29Å; Y217-F224 HydrophobicContact CD2-CD2 3.29Å; Y217-F224 HydrophobicContact CD2-CE1 4.36Å; Y217-F224 AromaticContact CD2-CE2 3.43Å; Y217-F224 HydrophobicContact CD2-CE2 3.43Å; Y217-F224 VanDerWaalsContact CD2-CE2 3.43Å; Y217-F224 AromaticContact CD2-CG 3.73Å; Y217-F224 HydrophobicContact CD2-CG 3.73Å; Y217-F224 AromaticContact CD2-CZ 3.96Å; Y217-F224 HydrophobicContact CD2-CZ 3.96Å; Y217-F224 HydrophobicContact CE1-CB 4.31Å; Y217-F224 HydrophobicContact CE1-CD2 4.37Å; Y217-F224 AromaticContact CE2-CD2 3.66Å; Y217-F224 HydrophobicContact CE2-CD2 3.66Å; Y217-F224 AromaticContact CE2-CE2 3.84Å; Y217-F224 HydrophobicContact CE2-CE2 3.84Å; Y217-F224 HydrophobicContact CE2-CG 4.44Å; Y217-F224 HydrophobicContact CG-CB 3.67Å; Y217-F224 AromaticContact CG-CD1 3.99Å; Y217-F224 HydrophobicContact CG-CD1 3.99Å; Y217-F224 AromaticContact CG-CD2 3.53Å; Y217-F224 HydrophobicContact CG-CD2 3.53Å; Y217-F224 HydrophobicContact CG-CE1 4.47Å; Y217-F224 HydrophobicContact CG-CE2 4.08Å; Y217-F224 AromaticContact CG-CG 3.46Å; Y217-F224 HydrophobicContact CG-CG 3.46Å; Y217-F224 VanDerWaalsContact CG-CG 3.46Å; Y217-F224 HydrophobicContact CG-CZ 4.49Å; Y217-K278 WeakPolarHBondContact OH-CE 3.45Å
218	T	85.8	Confident	83.6	Confident	87 Å²	87	45.2 Å²	45.2	53%	0.534	23%	0.232	S	C	.	.			trans	-70.4	154.4	170.4	64.5	0	0	0	0	109.3	E220 D221	T218-E220 PolarHBondContact O-N 2.79Å; T218-E220 VanDerWaalsContact O-N 3.1Å; T218-D221 WeakPolarHBondContact O-CB 3.38Å; T218-D221 PolarHBondContact O-N 3.35Å; T218-D221 VanDerWaalsContact O-N 3.16Å; T218-D221 PolarHBondContact OG1-N 2.72Å
219	Y	82.7	Confident	82.2	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.027	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.6	179.1	-83.5	-113.7	0	0	0	112	E179 L180 R183 D199 V202 S203 R225	E179-Y219 HydrophobicContact CB-CE2 4.42Å; E179-Y219 HydrophobicContact CG-CD2 3.98Å; E179-Y219 HydrophobicContact CG-CE2 3.6Å; L180-Y219 HydrophobicContact CD1-CE1 4.43Å; R183-Y219 VanDerWaalsContact CZ-CB 3.43Å; R183-Y219 VanDerWaalsContact NE-CD1 3.31Å; D199-Y219 HydrophobicContact CB-CE1 4.14Å; V202-Y219 HydrophobicContact CB-CD1 4Å; V202-Y219 HydrophobicContact CB-CE1 3.94Å; V202-Y219 HydrophobicContact CG1-CD1 3.58Å; V202-Y219 HydrophobicContact CG1-CD2 4.23Å; V202-Y219 HydrophobicContact CG1-CE1 3.74Å; V202-Y219 HydrophobicContact CG1-CE2 4.34Å; V202-Y219 HydrophobicContact CG1-CG 3.85Å; S203-Y219 WeakPolarHBondContact CA-OH 3.39Å; S203-Y219 VanDerWaalsContact CB-OH 3.23Å; S203-Y219 WeakPolarHBondContact CB-OH 3.45Å; Y219-R225 PolarHBondContact O-NE 3.31Å; Y219-R225 PolarHBondContact O-NH2 3.28Å
220	E	81.1	Confident	81	Confident	101 Å²	101	48.3 Å²	48.3	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.5	-179.8	-67.3	66.4	-140.8	0	0	114.2	R183 T218 A222 R225	R183-E220 IonicContact CZ-OE1 3.31Å; R183-E220 VanDerWaalsContact CZ-OE1 3.29Å; R183-E220 IonicContact NH1-OE1 3.38Å; R183-E220 PolarHBondContact NH1-OE1 3.17Å; R183-E220 IonicContact NH1-OE2 3.51Å; R183-E220 IonicContact NH2-OE1 2.89Å; R183-E220 PolarHBondContact NH2-OE1 3.01Å; T218-E220 PolarHBondContact O-N 2.79Å; T218-E220 VanDerWaalsContact O-N 3.1Å; E220-A222 PolarHBondContact O-N 2.83Å; E220-R225 IonicContact OE1-NH2 2.69Å
221	D	82.5	Confident	79.8	Confident	48 Å²	48	49 Å²	49	26%	0.257	26%	0.26	S	S	.	.			trans	-60.3	122.3	-178.9	-172	-71.1	0	0	0	111.3	Y217 T218 E223 F224 R225	Y217-D221 HydrophobicContact CD1-CB 4.28Å; T218-D221 WeakPolarHBondContact O-CB 3.38Å; T218-D221 PolarHBondContact O-N 3.35Å; T218-D221 VanDerWaalsContact O-N 3.16Å; T218-D221 PolarHBondContact OG1-N 2.72Å; D221-E223 WeakPolarHBondContact OD1-CB 3.46Å; D221-E223 PolarHBondContact OD1-N 2.88Å; D221-F224 HydrophobicContact CB-CB 3.92Å; D221-F224 WeakPolarHBondContact OD1-CB 3.15Å; D221-F224 PolarHBondContact OD1-N 2.83Å; D221-R225 VanDerWaalsContact O-CB 3.27Å; D221-R225 WeakPolarHBondContact O-CB 3.43Å; D221-R225 VanDerWaalsContact O-CG 3.3Å; D221-R225 WeakPolarHBondContact O-CG 3.49Å; D221-R225 PolarHBondContact O-N 3.37Å
222	A	76.5	Confident	78.6	Confident	78 Å²	78	52.7 Å²	52.7	65%	0.645	28%	0.279	S	S	*	.	H	α-helix	trans	-71.1	-40.4	-173	0	0	0	0	0	112.5	E220 E226	E220-A222 PolarHBondContact O-N 2.83Å; A222-E226 WeakPolarHBondContact O-CB 3.48Å; A222-E226 PolarHBondContact O-N 2.86Å
223	E	72.9	Confident	77.6	Confident	101 Å²	101	58.5 Å²	58.5	47%	0.472	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-45.9	177.4	178.9	-175.9	-135.1	0	0	109.6	D221 E226 V227	D221-E223 WeakPolarHBondContact OD1-CB 3.46Å; D221-E223 PolarHBondContact OD1-N 2.88Å; E223-E226 WeakPolarHBondContact O-CB 3.47Å; E223-E226 PolarHBondContact O-N 3.36Å; E223-V227 WeakPolarHBondContact O-CG2 3.07Å; E223-V227 PolarHBondContact O-N 3.39Å
224	F	77.8	Confident	76.6	Confident	1 Å²	1	59.9 Å²	59.9	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-69.4	-43.3	-179.1	-164.1	-118.2	0	0	0	112.4	V202 A205 N206 Y217 D221 E226 V227 V228 F326	V202-F224 HydrophobicContact CG1-CD1 4.5Å; V202-F224 HydrophobicContact CG1-CE1 4.25Å; A205-F224 HydrophobicContact CB-CE1 3.76Å; A205-F224 HydrophobicContact CB-CE2 4.31Å; A205-F224 HydrophobicContact CB-CZ 3.38Å; N206-F224 WeakPolarHBondContact OD1-CE1 3.3Å; N206-F224 WeakPolarHBondContact OD1-CZ 3.36Å; Y217-F224 VanDerWaalsContact CB-CD1 3.48Å; Y217-F224 VanDerWaalsContact CB-CG 3.48Å; Y217-F224 HydrophobicContact CD1-CB 3.69Å; Y217-F224 HydrophobicContact CD1-CD2 4.1Å; Y217-F224 AromaticContact CD1-CG 4Å; Y217-F224 HydrophobicContact CD1-CG 4Å; Y217-F224 HydrophobicContact CD2-CB 4.34Å; Y217-F224 HydrophobicContact CD2-CD1 4.27Å; Y217-F224 AromaticContact CD2-CD2 3.29Å; Y217-F224 HydrophobicContact CD2-CD2 3.29Å; Y217-F224 HydrophobicContact CD2-CE1 4.36Å; Y217-F224 AromaticContact CD2-CE2 3.43Å; Y217-F224 HydrophobicContact CD2-CE2 3.43Å; Y217-F224 VanDerWaalsContact CD2-CE2 3.43Å; Y217-F224 AromaticContact CD2-CG 3.73Å; Y217-F224 HydrophobicContact CD2-CG 3.73Å; Y217-F224 AromaticContact CD2-CZ 3.96Å; Y217-F224 HydrophobicContact CD2-CZ 3.96Å; Y217-F224 HydrophobicContact CE1-CB 4.31Å; Y217-F224 HydrophobicContact CE1-CD2 4.37Å; Y217-F224 AromaticContact CE2-CD2 3.66Å; Y217-F224 HydrophobicContact CE2-CD2 3.66Å; Y217-F224 AromaticContact CE2-CE2 3.84Å; Y217-F224 HydrophobicContact CE2-CE2 3.84Å; Y217-F224 HydrophobicContact CE2-CG 4.44Å; Y217-F224 HydrophobicContact CG-CB 3.67Å; Y217-F224 AromaticContact CG-CD1 3.99Å; Y217-F224 HydrophobicContact CG-CD1 3.99Å; Y217-F224 AromaticContact CG-CD2 3.53Å; Y217-F224 HydrophobicContact CG-CD2 3.53Å; Y217-F224 HydrophobicContact CG-CE1 4.47Å; Y217-F224 HydrophobicContact CG-CE2 4.08Å; Y217-F224 AromaticContact CG-CG 3.46Å; Y217-F224 HydrophobicContact CG-CG 3.46Å; Y217-F224 VanDerWaalsContact CG-CG 3.46Å; Y217-F224 HydrophobicContact CG-CZ 4.49Å; D221-F224 HydrophobicContact CB-CB 3.92Å; D221-F224 WeakPolarHBondContact OD1-CB 3.15Å; D221-F224 PolarHBondContact OD1-N 2.83Å; F224-E226 PolarHBondContact O-N 3.43Å; F224-V227 PolarHBondContact O-N 2.83Å; F224-V228 HydrophobicContact CD1-CG2 3.93Å; F224-V228 HydrophobicContact CD2-CG2 4.17Å; F224-V228 HydrophobicContact CE1-CG2 3.74Å; F224-V228 HydrophobicContact CE2-CG2 3.98Å; F224-V228 HydrophobicContact CG-CG2 4.16Å; F224-V228 HydrophobicContact CZ-CG2 3.77Å; F224-V228 VanDerWaalsContact O-CB 3.24Å; F224-V228 WeakPolarHBondContact O-CB 3.25Å; F224-V228 WeakPolarHBondContact O-CG2 3.35Å; F224-V228 PolarHBondContact O-N 2.89Å; F224-F326 HydrophobicContact CE2-CZ 4.34Å
225	R	74.5	Confident	75.7	Confident	117 Å²	117	58.7 Å²	58.7	44%	0.442	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-33.8	172.8	-81.5	-176.1	175.3	169.2	6.4	112.2	Y219 E220 D221 G229	Y219-R225 PolarHBondContact O-NE 3.31Å; Y219-R225 PolarHBondContact O-NH2 3.28Å; E220-R225 IonicContact OE1-NH2 2.69Å; D221-R225 VanDerWaalsContact O-CB 3.27Å; D221-R225 WeakPolarHBondContact O-CB 3.43Å; D221-R225 VanDerWaalsContact O-CG 3.3Å; D221-R225 WeakPolarHBondContact O-CG 3.49Å; D221-R225 PolarHBondContact O-N 3.37Å; R225-G229 VanDerWaalsContact O-CA 3.27Å; R225-G229 WeakPolarHBondContact O-CA 3.36Å; R225-G229 PolarHBondContact O-N 2.79Å
226	E	71.2	Confident	74.8	Confident	108 Å²	108	59.5 Å²	59.5	51%	0.505	30%	0.3	S	S	.	.	H	α-helix	trans	-66	-52.6	174.4	-166.6	-178.1	151.6	0	0	110	A222 E223 F224 V228 G229 R230	A222-E226 WeakPolarHBondContact O-CB 3.48Å; A222-E226 PolarHBondContact O-N 2.86Å; E223-E226 WeakPolarHBondContact O-CB 3.47Å; E223-E226 PolarHBondContact O-N 3.36Å; F224-E226 PolarHBondContact O-N 3.43Å; E226-V228 VanDerWaalsContact C-N 3.31Å; E226-V228 PolarHBondContact O-N 3.41Å; E226-G229 PolarHBondContact O-N 3.18Å; E226-R230 VanDerWaalsContact O-CG 3.24Å; E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.4Å; E226-R230 IonicContact OE1-CZ 3.46Å; E226-R230 IonicContact OE1-NH1 2.79Å; E226-R230 IonicContact OE1-NH2 3.63Å; E226-R230 PolarHBondContact OE1-NH2 3.31Å
227	V	70.1	Confident	74.3	Confident	11 Å²	11	56.2 Å²	56.2	7%	0.067	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-38.1	179	174.3	0	0	0	0	112.7	E223 F224 R230 F271 F274 F326	E223-V227 WeakPolarHBondContact O-CG2 3.07Å; E223-V227 PolarHBondContact O-N 3.39Å; F224-V227 PolarHBondContact O-N 2.83Å; V227-R230 WeakPolarHBondContact O-CB 3.28Å; V227-F271 HydrophobicContact CG1-CD2 4.42Å; V227-F274 HydrophobicContact CG1-CD1 4.04Å; V227-F274 HydrophobicContact CG1-CE1 4.08Å; V227-F274 HydrophobicContact CG1-CG 4.35Å; V227-F274 HydrophobicContact CG1-CZ 4.4Å; V227-F274 HydrophobicContact CG2-CB 4.33Å; V227-F274 HydrophobicContact CG2-CD1 4.42Å; V227-F274 HydrophobicContact CG2-CD2 3.74Å; V227-F274 HydrophobicContact CG2-CE2 4.1Å; V227-F274 HydrophobicContact CG2-CG 3.9Å; V227-F326 HydrophobicContact CG1-CE1 4.21Å
228	V	70.7	Confident	73.6	Confident	7 Å²	7	57 Å²	57	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-81	-40.1	-179.6	174.5	0	0	0	0	111.4	V201 V202 A205 F224 E226 R230 N231	V201-V228 HydrophobicContact CB-CG1 4.46Å; V201-V228 HydrophobicContact CG1-CG1 3.39Å; V202-V228 HydrophobicContact CG2-CG1 4.12Å; A205-V228 HydrophobicContact CB-CB 4.46Å; A205-V228 HydrophobicContact CB-CG1 4.16Å; A205-V228 HydrophobicContact CB-CG2 3.38Å; F224-V228 HydrophobicContact CD1-CG2 3.93Å; F224-V228 HydrophobicContact CD2-CG2 4.17Å; F224-V228 HydrophobicContact CE1-CG2 3.74Å; F224-V228 HydrophobicContact CE2-CG2 3.98Å; F224-V228 HydrophobicContact CG-CG2 4.16Å; F224-V228 HydrophobicContact CZ-CG2 3.77Å; F224-V228 VanDerWaalsContact O-CB 3.24Å; F224-V228 WeakPolarHBondContact O-CB 3.25Å; F224-V228 WeakPolarHBondContact O-CG2 3.35Å; F224-V228 PolarHBondContact O-N 2.89Å; E226-V228 VanDerWaalsContact C-N 3.31Å; E226-V228 PolarHBondContact O-N 3.41Å; V228-R230 PolarHBondContact O-N 2.82Å; V228-N231 WeakPolarHBondContact O-CB 3.22Å; V228-N231 PolarHBondContact O-N 3.43Å
229	G	65.2	Low	72.8	Confident	39 Å²	39	54.5 Å²	54.5	40%	0.402	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-20.8	172.7	0	0	0	0	0	113.1	R225 E226 N231 D232	R225-G229 VanDerWaalsContact O-CA 3.27Å; R225-G229 WeakPolarHBondContact O-CA 3.36Å; R225-G229 PolarHBondContact O-N 2.79Å; E226-G229 PolarHBondContact O-N 3.18Å; G229-N231 PolarHBondContact O-N 3.2Å; G229-D232 PolarHBondContact O-N 2.94Å
230	R	67.4	Low	71.8	Confident	29 Å²	29	54.4 Å²	54.4	11%	0.109	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-22.7	166.7	-76.8	-171.6	166.4	102.5	16.8	112.6	E226 V227 V228 D232 K233 F234 L267 D270	E226-R230 VanDerWaalsContact O-CG 3.24Å; E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.4Å; E226-R230 IonicContact OE1-CZ 3.46Å; E226-R230 IonicContact OE1-NH1 2.79Å; E226-R230 IonicContact OE1-NH2 3.63Å; E226-R230 PolarHBondContact OE1-NH2 3.31Å; V227-R230 WeakPolarHBondContact O-CB 3.28Å; V228-R230 PolarHBondContact O-N 2.82Å; R230-D232 PolarHBondContact O-N 3.19Å; R230-K233 CarbonylContact O-C 3.58Å; R230-K233 PolarHBondContact O-N 3.36Å; R230-F234 WeakPolarHBondContact O-CB 3.18Å; R230-F234 PolarHBondContact O-N 2.93Å; R230-L267 HydrophobicContact CB-CD1 3.63Å; R230-L267 HydrophobicContact CB-CG 4.19Å; R230-L267 HydrophobicContact CG-CD1 3.38Å; R230-L267 HydrophobicContact CG-CG 4.19Å; R230-D270 IonicContact CZ-OD2 3.6Å; R230-D270 IonicContact NE-OD2 2.72Å; R230-D270 VanDerWaalsContact NH2-CG 3.28Å; R230-D270 IonicContact NH2-OD2 3.67Å; R230-D270 PolarHBondContact NH2-OD2 3.35Å
231	N	67.9	Low	71.1	Confident	18 Å²	18	49.7 Å²	49.7	10%	0.096	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-38.6	-179.7	-170.3	44.1	0	0	0	112.9	V228 G229 F234 T235 D331	V228-N231 WeakPolarHBondContact O-CB 3.22Å; V228-N231 PolarHBondContact O-N 3.43Å; G229-N231 PolarHBondContact O-N 3.2Å; N231-F234 PolarHBondContact O-N 3.45Å; N231-T235 PolarHBondContact O-N 3.19Å; N231-T235 PolarHBondContact O-OG1 3.49Å; N231-D331 WeakPolarHBondContact ND2-CA 3.47Å; N231-D331 PolarHBondContact ND2-OD1 2.9Å; N231-D331 WeakPolarHBondContact OD1-CB 3.46Å; N231-D331 PolarHBondContact OD1-OD1 3.12Å
232	D	68.4	Low	71	Confident	79 Å²	79	50.4 Å²	50.4	42%	0.422	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-40.9	172.8	-179.4	57.5	0	0	0	111	G229 R230 T235 K236	G229-D232 PolarHBondContact O-N 2.94Å; R230-D232 PolarHBondContact O-N 3.19Å; D232-T235 PolarHBondContact O-N 3.46Å; D232-K236 VanDerWaalsContact O-CG 3.31Å; D232-K236 WeakPolarHBondContact O-CG 3.43Å; D232-K236 PolarHBondContact O-N 3.32Å; D232-K236 WeakPolarHBondContact OD1-CE 3.46Å; D232-K236 IonicContact OD1-NZ 2.66Å; D232-K236 WeakPolarHBondContact OD2-CE 3.15Å; D232-K236 IonicContact OD2-NZ 3.49Å; D232-K236 PolarHBondContact OD2-NZ 3.15Å
233	K	72.3	Confident	71.3	Confident	122 Å²	122	49.6 Å²	49.6	53%	0.53	26%	0.259	S	S	.	.	H	α-helix	trans	-62.6	-42.3	172.9	-65.8	-179.2	-178.4	176.1	0	111.9	R230 T235 K236 T237 L267	R230-K233 CarbonylContact O-C 3.58Å; R230-K233 PolarHBondContact O-N 3.36Å; K233-T235 PolarHBondContact O-N 2.92Å; K233-K236 PolarHBondContact O-N 3.4Å; K233-T237 WeakPolarHBondContact O-CB 3.28Å; K233-T237 VanDerWaalsContact O-CG2 3.22Å; K233-T237 WeakPolarHBondContact O-CG2 3.16Å; K233-T237 PolarHBondContact O-N 3.1Å; K233-T237 PolarHBondContact O-OG1 3.34Å; K233-L267 HydrophobicContact CB-CD1 3.85Å; K233-L267 HydrophobicContact CD-CD1 4.29Å
234	F	73	Confident	72	Confident	37 Å²	37	44.8 Å²	44.8	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-47.1	175.4	-175	-93.1	0	0	0	110.5	R230 N231 K236 T237 V238 F264 L267 L507	R230-F234 WeakPolarHBondContact O-CB 3.18Å; R230-F234 PolarHBondContact O-N 2.93Å; N231-F234 PolarHBondContact O-N 3.45Å; F234-K236 PolarHBondContact O-N 2.89Å; F234-T237 PolarHBondContact O-N 3Å; F234-T237 PolarHBondContact O-OG1 3.35Å; F234-V238 HydrophobicContact CE1-CB 4.26Å; F234-V238 HydrophobicContact CE1-CG2 4.26Å; F234-V238 HydrophobicContact CZ-CG2 4.38Å; F234-V238 VanDerWaalsContact O-CB 3.32Å; F234-V238 WeakPolarHBondContact O-CB 3.44Å; F234-V238 WeakPolarHBondContact O-CG1 3.39Å; F234-V238 PolarHBondContact O-N 3.49Å; F234-F264 HydrophobicContact CD2-CE2 4.25Å; F234-F264 HydrophobicContact CE2-CD2 4.46Å; F234-F264 AromaticContact CE2-CE2 3.69Å; F234-F264 HydrophobicContact CE2-CE2 3.69Å; F234-F264 HydrophobicContact CE2-CZ 4.46Å; F234-F264 HydrophobicContact CZ-CE2 4.26Å; F234-L267 VanDerWaalsContact CA-CD2 3.43Å; F234-L267 HydrophobicContact CB-CD2 3.54Å; F234-L267 HydrophobicContact CD2-CD2 3.86Å; F234-L267 HydrophobicContact CG-CD2 4.19Å; F234-L507 HydrophobicContact CE1-CD2 4.04Å
235	T	69.3	Low	72.6	Confident	23 Å²	23	44.9 Å²	44.9	14%	0.141	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-38.2	176.8	-54	0	0	0	0	111.5	N231 D232 K233 V238 K510	N231-T235 PolarHBondContact O-N 3.19Å; N231-T235 PolarHBondContact O-OG1 3.49Å; D232-T235 PolarHBondContact O-N 3.46Å; K233-T235 PolarHBondContact O-N 2.92Å; T235-V238 WeakPolarHBondContact O-CG1 3.14Å; T235-K510 PolarHBondContact OG1-NZ 3.32Å
236	K	68.1	Low	73.3	Confident	141 Å²	141	40 Å²	40	61%	0.613	22%	0.221	S	C	*	.	H	α-helix	trans	-74.1	-31.2	178.2	-71.9	168.3	177.6	171.2	0	113.1	D232 K233 F234	D232-K236 VanDerWaalsContact O-CG 3.31Å; D232-K236 WeakPolarHBondContact O-CG 3.43Å; D232-K236 PolarHBondContact O-N 3.32Å; D232-K236 WeakPolarHBondContact OD1-CE 3.46Å; D232-K236 IonicContact OD1-NZ 2.66Å; D232-K236 WeakPolarHBondContact OD2-CE 3.15Å; D232-K236 IonicContact OD2-NZ 3.49Å; D232-K236 PolarHBondContact OD2-NZ 3.15Å; K233-K236 PolarHBondContact O-N 3.4Å; F234-K236 PolarHBondContact O-N 2.89Å
237	T	76	Confident	74.2	Confident	12 Å²	12	35.8 Å²	35.8	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-96.4	-24.1	-174.1	61.6	0	0	0	0	113.8	K233 F234 G239 A240 G241 I260 D263	K233-T237 WeakPolarHBondContact O-CB 3.28Å; K233-T237 VanDerWaalsContact O-CG2 3.22Å; K233-T237 WeakPolarHBondContact O-CG2 3.16Å; K233-T237 PolarHBondContact O-N 3.1Å; K233-T237 PolarHBondContact O-OG1 3.34Å; F234-T237 PolarHBondContact O-N 3Å; F234-T237 PolarHBondContact O-OG1 3.35Å; T237-G239 PolarHBondContact O-N 2.68Å; T237-G239 VanDerWaalsContact O-N 3.14Å; T237-A240 WeakPolarHBondContact O-CB 3.36Å; T237-A240 PolarHBondContact O-N 3.45Å; T237-G241 PolarHBondContact O-N 3.49Å; T237-I260 HydrophobicContact CG2-CG2 3.88Å; T237-D263 HydrophobicContact CG2-CB 4.14Å
238	V	72.8	Confident	75.1	Confident	30 Å²	30	37 Å²	37	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-27.3	178.1	71.7	0	0	0	0	112.6	F234 T235 G241 S242	F234-V238 HydrophobicContact CE1-CB 4.26Å; F234-V238 HydrophobicContact CE1-CG2 4.26Å; F234-V238 HydrophobicContact CZ-CG2 4.38Å; F234-V238 VanDerWaalsContact O-CB 3.32Å; F234-V238 WeakPolarHBondContact O-CB 3.44Å; F234-V238 WeakPolarHBondContact O-CG1 3.39Å; F234-V238 PolarHBondContact O-N 3.49Å; T235-V238 WeakPolarHBondContact O-CG1 3.14Å; V238-G241 PolarHBondContact O-N 3.43Å; V238-S242 PolarHBondContact O-N 2.81Å; V238-S242 PolarHBondContact O-OG 3.27Å
239	G	68.9	Low	76	Confident	36 Å²	36	42 Å²	42	37%	0.371	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-41.9	171.8	0	0	0	0	0	112.8	T237 S242 I243	T237-G239 PolarHBondContact O-N 2.68Å; T237-G239 VanDerWaalsContact O-N 3.14Å; G239-S242 WeakPolarHBondContact O-CB 3.42Å; G239-S242 PolarHBondContact O-N 3.3Å; G239-I243 VanDerWaalsContact O-CG1 3.3Å; G239-I243 WeakPolarHBondContact O-CG1 3.26Å; G239-I243 PolarHBondContact O-N 2.8Å
240	A	60.3	Low	77.2	Confident	5 Å²	5	41 Å²	41	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-68.1	-38.7	174.9	0	0	0	0	0	111.7	T237 S242 I243 V244 I257 I260	T237-A240 WeakPolarHBondContact O-CB 3.36Å; T237-A240 PolarHBondContact O-N 3.45Å; A240-S242 VanDerWaalsContact C-N 3.33Å; A240-S242 PolarHBondContact O-N 3.47Å; A240-I243 PolarHBondContact O-N 3.21Å; A240-V244 WeakPolarHBondContact O-CG2 3.38Å; A240-V244 PolarHBondContact O-N 3.02Å; A240-I257 HydrophobicContact CB-CG2 4.14Å; A240-I260 HydrophobicContact CB-CB 3.76Å; A240-I260 HydrophobicContact CB-CG2 3.42Å; A240-I260 VanDerWaalsContact CB-CG2 3.42Å
241	G	66.8	Low	78.3	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-55.3	-49	170.4	0	0	0	0	0	111.7	T237 V238 I243 V244 D245	T237-G241 PolarHBondContact O-N 3.49Å; V238-G241 PolarHBondContact O-N 3.43Å; G241-I243 VanDerWaalsContact C-N 3.26Å; G241-I243 PolarHBondContact O-N 2.9Å; G241-V244 PolarHBondContact O-N 3.47Å; G241-V244 VanDerWaalsContact O-N 3.13Å; G241-D245 PolarHBondContact O-N 3.1Å
242	S	80.9	Confident	79.3	Confident	64 Å²	64	49 Å²	49	45%	0.448	24%	0.244	S	C	.	.	H	α-helix	trans	-60	-35.2	177.2	-56.2	0	0	0	0	112.8	V238 G239 A240	V238-S242 PolarHBondContact O-N 2.81Å; V238-S242 PolarHBondContact O-OG 3.27Å; G239-S242 WeakPolarHBondContact O-CB 3.42Å; G239-S242 PolarHBondContact O-N 3.3Å; A240-S242 VanDerWaalsContact C-N 3.33Å; A240-S242 PolarHBondContact O-N 3.47Å
243	I	83.3	Confident	80.4	Confident	60 Å²	60	49.2 Å²	49.2	31%	0.308	24%	0.242	S	C	.	.	H	α-helix	trans	-70.4	-44.5	175.6	-70	167.5	0	0	0	110.9	G239 A240 G241 D245 V246 M247 L250 I257	G239-I243 VanDerWaalsContact O-CG1 3.3Å; G239-I243 WeakPolarHBondContact O-CG1 3.26Å; G239-I243 PolarHBondContact O-N 2.8Å; A240-I243 PolarHBondContact O-N 3.21Å; G241-I243 VanDerWaalsContact C-N 3.26Å; G241-I243 PolarHBondContact O-N 2.9Å; I243-D245 VanDerWaalsContact C-N 3.27Å; I243-D245 PolarHBondContact O-N 2.79Å; I243-V246 VanDerWaalsContact O-CG2 3.25Å; I243-V246 WeakPolarHBondContact O-CG2 3.32Å; I243-V246 PolarHBondContact O-N 3.27Å; I243-M247 HydrophobicContact CG2-CE 3.76Å; I243-M247 PolarHBondContact O-N 2.94Å; I243-L250 HydrophobicContact CG2-CD1 3.49Å; I243-L250 VanDerWaalsContact CG2-CD1 3.49Å; I243-I257 HydrophobicContact CB-CG2 4.31Å; I243-I257 HydrophobicContact CD1-CD1 3.85Å; I243-I257 HydrophobicContact CG2-CG1 4.41Å; I243-I257 HydrophobicContact CG2-CG2 3.94Å
244	V	87.7	Confident	81.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-33.1	177.2	171.7	0	0	0	0	111.4	T124 A240 G241 V246 M247 P248 I257 F261	T124-V244 HydrophobicContact CG2-CG1 4.41Å; A240-V244 WeakPolarHBondContact O-CG2 3.38Å; A240-V244 PolarHBondContact O-N 3.02Å; G241-V244 PolarHBondContact O-N 3.47Å; G241-V244 VanDerWaalsContact O-N 3.13Å; V244-V246 PolarHBondContact O-N 3.31Å; V244-M247 CarbonylContact O-C 3.58Å; V244-M247 VanDerWaalsContact O-C 3.28Å; V244-M247 PolarHBondContact O-N 3.49Å; V244-P248 WeakPolarHBondContact O-CA 3.39Å; V244-P248 WeakPolarHBondContact O-CD 3.46Å; V244-I257 HydrophobicContact CG2-CG2 3.87Å; V244-F261 HydrophobicContact CB-CD2 4.46Å; V244-F261 HydrophobicContact CG1-CD1 4.26Å; V244-F261 HydrophobicContact CG1-CE1 3.95Å; V244-F261 HydrophobicContact CG1-CE2 4.48Å; V244-F261 HydrophobicContact CG1-CZ 4.09Å; V244-F261 HydrophobicContact CG2-CB 4.19Å; V244-F261 HydrophobicContact CG2-CD1 4.12Å; V244-F261 HydrophobicContact CG2-CD2 4.26Å; V244-F261 HydrophobicContact CG2-CG 3.94Å
245	D	90.4	Very high	82.4	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-32.2	178.5	-69.6	-26.4	0	0	0	113.5	F123 T124 S125 G241 I243	F123-D245 HydrophobicContact CB-CB 4.05Å; F123-D245 VanDerWaalsContact CB-CG 3.44Å; F123-D245 VanDerWaalsContact CB-OD1 3.32Å; F123-D245 WeakPolarHBondContact CB-OD1 3.49Å; F123-D245 HydrophobicContact CD1-CB 3.75Å; F123-D245 HydrophobicContact CD2-CB 3.78Å; F123-D245 WeakPolarHBondContact CD2-OD2 3.42Å; F123-D245 HydrophobicContact CE1-CB 4.08Å; F123-D245 HydrophobicContact CE2-CB 4.12Å; F123-D245 HydrophobicContact CG-CB 3.58Å; F123-D245 VanDerWaalsContact CG-CG 3.48Å; F123-D245 HydrophobicContact CZ-CB 4.26Å; T124-D245 PolarHBondContact N-OD1 2.82Å; T124-D245 VanDerWaalsContact N-OD1 3.08Å; S125-D245 WeakPolarHBondContact CB-OD1 3.25Å; S125-D245 WeakPolarHBondContact CB-OD2 3.4Å; S125-D245 PolarHBondContact N-OD1 2.79Å; S125-D245 PolarHBondContact OG-OD1 2.72Å; S125-D245 VanDerWaalsContact OG-OD1 3.1Å; S125-D245 PolarHBondContact OG-OD2 3.36Å; G241-D245 PolarHBondContact O-N 3.1Å; I243-D245 VanDerWaalsContact C-N 3.27Å; I243-D245 PolarHBondContact O-N 2.79Å
246	V	89.1	Confident	83.4	Confident	14 Å²	14	52.3 Å²	52.3	9%	0.085	28%	0.277	C	S	.	.	H	α-helix	trans	-99.9	-20.9	179.3	-60.9	0	0	0	0	113	L93 G94 S95 R96 I243 V244	L93-V246 HydrophobicContact CB-CB 3.98Å; L93-V246 HydrophobicContact CB-CG1 3.7Å; L93-V246 HydrophobicContact CB-CG2 4.37Å; L93-V246 HydrophobicContact CD1-CG1 4.36Å; L93-V246 WeakPolarHBondContact O-CB 3.43Å; G94-V246 WeakPolarHBondContact CA-O 3.48Å; S95-V246 PolarHBondContact N-O 3.16Å; S95-V246 PolarHBondContact OG-O 3.25Å; R96-V246 HydrophobicContact CB-CG1 4.44Å; R96-V246 HydrophobicContact CG-CG1 4.43Å; I243-V246 VanDerWaalsContact O-CG2 3.25Å; I243-V246 WeakPolarHBondContact O-CG2 3.32Å; I243-V246 PolarHBondContact O-N 3.27Å; V244-V246 PolarHBondContact O-N 3.31Å
247	M	89.9	Confident	84.5	Confident	20 Å²	20	47.4 Å²	47.4	10%	0.099	26%	0.257	C	S	.	.			trans	-135.9	68.9	179	-69.2	-178.4	-66.3	0	0	110.5	I64 I243 V244 W249 L250	I64-M247 HydrophobicContact CG2-SD 4.19Å; I243-M247 HydrophobicContact CG2-CE 3.76Å; I243-M247 PolarHBondContact O-N 2.94Å; V244-M247 CarbonylContact O-C 3.58Å; V244-M247 VanDerWaalsContact O-C 3.28Å; V244-M247 PolarHBondContact O-N 3.49Å; M247-W249 HydrophobicContact CB-CZ2 4.09Å; M247-W249 HydrophobicContact CG-CZ2 4.13Å; M247-W249 PolarHBondContact O-N 3.36Å; M247-W249 HydrophobicContact SD-CZ2 3.84Å; M247-L250 HydrophobicContact CB-CD1 3.77Å; M247-L250 HydrophobicContact CB-CG 4.21Å; M247-L250 HydrophobicContact CE-CD1 4.09Å; M247-L250 WeakPolarHBondContact O-CB 3.39Å; M247-L250 PolarHBondContact O-N 2.99Å; M247-L250 VanDerWaalsContact O-N 3.12Å
248	P	89.3	Confident	85.2	Confident	37 Å²	37	50 Å²	50	24%	0.24	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-65.2	-18.4	-171.8	24.6	-35.1	0	0	0	113.5	V244 L250 Q251	V244-P248 WeakPolarHBondContact O-CA 3.39Å; V244-P248 WeakPolarHBondContact O-CD 3.46Å; P248-L250 PolarHBondContact O-N 2.87Å; P248-Q251 WeakPolarHBondContact O-CG 3.16Å; P248-Q251 PolarHBondContact O-N 3.44Å; P248-Q251 PolarHBondContact O-NE2 2.95Å
249	W	88.3	Confident	86.1	Confident	110 Å²	110	52.6 Å²	52.6	42%	0.417	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-65.5	-18.7	177.4	52.8	-92.3	0	0	0	113.4	V63 M247 Q251 Y252 F253	V63-W249 HydrophobicContact CG1-CZ2 4.32Å; M247-W249 HydrophobicContact CB-CZ2 4.09Å; M247-W249 HydrophobicContact CG-CZ2 4.13Å; M247-W249 PolarHBondContact O-N 3.36Å; M247-W249 HydrophobicContact SD-CZ2 3.84Å; W249-Q251 PolarHBondContact O-N 3.33Å; W249-Y252 HydrophobicContact CB-CD2 4.49Å; W249-Y252 PolarHBondContact O-N 3.32Å; W249-F253 AromaticContact CE3-CE1 3.69Å; W249-F253 HydrophobicContact CE3-CE1 3.69Å; W249-F253 HydrophobicContact CE3-CZ 4.27Å; W249-F253 AromaticContact CZ3-CE1 3.8Å; W249-F253 HydrophobicContact CZ3-CE1 3.8Å; W249-F253 AromaticContact CZ3-CZ 3.89Å; W249-F253 HydrophobicContact CZ3-CZ 3.89Å
250	L	90.5	Very high	87.1	Confident	19 Å²	19	53.8 Å²	53.8	10%	0.099	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-65.3	-12.9	175.4	-70.3	171.1	0	0	0	113.7	I243 M247 P248 F253 N255 I257	I243-L250 HydrophobicContact CG2-CD1 3.49Å; I243-L250 VanDerWaalsContact CG2-CD1 3.49Å; M247-L250 HydrophobicContact CB-CD1 3.77Å; M247-L250 HydrophobicContact CB-CG 4.21Å; M247-L250 HydrophobicContact CE-CD1 4.09Å; M247-L250 WeakPolarHBondContact O-CB 3.39Å; M247-L250 PolarHBondContact O-N 2.99Å; M247-L250 VanDerWaalsContact O-N 3.12Å; P248-L250 PolarHBondContact O-N 2.87Å; L250-F253 HydrophobicContact CD2-CE1 4.09Å; L250-F253 HydrophobicContact CD2-CZ 3.76Å; L250-N255 PolarHBondContact O-ND2 3.38Å; L250-I257 HydrophobicContact CD1-CG2 4.37Å
251	Q	90.4	Very high	88.5	Confident	35 Å²	35	53.5 Å²	53.5	16%	0.164	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-81.1	-17.4	177.9	77.1	-166.1	-51.1	0	0	113.7	P248 W249 K258	P248-Q251 WeakPolarHBondContact O-CG 3.16Å; P248-Q251 PolarHBondContact O-N 3.44Å; P248-Q251 PolarHBondContact O-NE2 2.95Å; W249-Q251 PolarHBondContact O-N 3.33Å; Q251-K258 VanDerWaalsContact O-CD 3.29Å; Q251-K258 WeakPolarHBondContact O-CD 3.41Å; Q251-K258 WeakPolarHBondContact O-CE 3.12Å
252	Y	89.8	Confident	89.7	Confident	179 Å²	179	56.7 Å²	56.7	70%	0.702	29%	0.293	S	S	*	.	S	Bend	trans	-90.1	-19.4	-167	-59.4	-62.6	0	0	0	114.7	W249	W249-Y252 HydrophobicContact CB-CD2 4.49Å; W249-Y252 PolarHBondContact O-N 3.32Å
253	F	91.7	Very high	90.2	Very high	85 Å²	85	57.6 Å²	57.6	37%	0.373	29%	0.293	S	S	.	.	S	Bend	trans	-126.4	156.3	-178.7	67.7	-82.9	0	0	0	111.8	W249 L250 N255 K258	W249-F253 AromaticContact CE3-CE1 3.69Å; W249-F253 HydrophobicContact CE3-CE1 3.69Å; W249-F253 HydrophobicContact CE3-CZ 4.27Å; W249-F253 AromaticContact CZ3-CE1 3.8Å; W249-F253 HydrophobicContact CZ3-CE1 3.8Å; W249-F253 AromaticContact CZ3-CZ 3.89Å; W249-F253 HydrophobicContact CZ3-CZ 3.89Å; L250-F253 HydrophobicContact CD2-CE1 4.09Å; L250-F253 HydrophobicContact CD2-CZ 3.76Å; F253-N255 HydrophobicContact CD2-CB 4.29Å; F253-N255 HydrophobicContact CE2-CB 3.84Å; F253-N255 HydrophobicContact CZ-CB 4.48Å; F253-N255 PolarHBondContact O-N 2.59Å; F253-N255 PolarHBondContact O-ND2 2.87Å; F253-K258 WeakPolarHBondContact O-CD 3.35Å
254	P	93.5	Very high	90.5	Very high	123 Å²	123	54.8 Å²	54.8	80%	0.799	28%	0.278	S	S	*	.			trans	-62.5	118.2	-179.1	-21.6	33.7	0	0	0	112.1
255	N	93	Very high	90.6	Very high	25 Å²	25	56.4 Å²	56.4	13%	0.134	29%	0.285	C	S	.	.			trans	-160.2	163.8	173.8	69.3	82.7	0	0	0	110.3	L250 F253 I257 K258 T259	L250-N255 PolarHBondContact O-ND2 3.38Å; F253-N255 HydrophobicContact CD2-CB 4.29Å; F253-N255 HydrophobicContact CE2-CB 3.84Å; F253-N255 HydrophobicContact CZ-CB 4.48Å; F253-N255 PolarHBondContact O-N 2.59Å; F253-N255 PolarHBondContact O-ND2 2.87Å; N255-I257 VanDerWaalsContact C-N 3.3Å; N255-I257 PolarHBondContact O-N 3.42Å; N255-I257 WeakPolarHBondContact OD1-CA 3.47Å; N255-I257 WeakPolarHBondContact OD1-CB 3.24Å; N255-I257 PolarHBondContact OD1-N 3.3Å; N255-K258 WeakPolarHBondContact O-CB 3.46Å; N255-K258 PolarHBondContact O-N 2.8Å; N255-K258 PolarHBondContact OD1-N 3.32Å; N255-T259 PolarHBondContact O-N 3.08Å
256	P	91.3	Very high	90.6	Very high	98 Å²	98	60 Å²	60	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-59	-36	-178.1	-26.2	35.5	0	0	0	114.3	K258 T259 I260	P256-K258 VanDerWaalsContact C-N 3.34Å; P256-K258 PolarHBondContact O-N 2.94Å; P256-T259 PolarHBondContact O-N 3.13Å; P256-I260 VanDerWaalsContact O-CG1 3.26Å; P256-I260 WeakPolarHBondContact O-CG1 3.39Å; P256-I260 PolarHBondContact O-N 3.25Å
257	I	90	Very high	90.6	Very high	39 Å²	39	60 Å²	60	20%	0.2	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-40.8	179.1	-55.6	-58.3	0	0	0	110.6	A240 I243 V244 L250 N255 T259 I260 F261	A240-I257 HydrophobicContact CB-CG2 4.14Å; I243-I257 HydrophobicContact CB-CG2 4.31Å; I243-I257 HydrophobicContact CD1-CD1 3.85Å; I243-I257 HydrophobicContact CG2-CG1 4.41Å; I243-I257 HydrophobicContact CG2-CG2 3.94Å; V244-I257 HydrophobicContact CG2-CG2 3.87Å; L250-I257 HydrophobicContact CD1-CG2 4.37Å; N255-I257 VanDerWaalsContact C-N 3.3Å; N255-I257 PolarHBondContact O-N 3.42Å; N255-I257 WeakPolarHBondContact OD1-CA 3.47Å; N255-I257 WeakPolarHBondContact OD1-CB 3.24Å; N255-I257 PolarHBondContact OD1-N 3.3Å; I257-T259 PolarHBondContact O-N 2.91Å; I257-I260 PolarHBondContact O-N 3.44Å; I257-F261 VanDerWaalsContact O-CB 3.26Å; I257-F261 WeakPolarHBondContact O-CB 3.31Å; I257-F261 PolarHBondContact O-N 3.41Å
258	K	91.9	Very high	90.5	Very high	65 Å²	65	59.7 Å²	59.7	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-58.3	-48.4	174.5	-175.4	-177.2	178.7	-178.9	0	111.1	Q251 F253 N255 P256 I260 F261 E262	Q251-K258 VanDerWaalsContact O-CD 3.29Å; Q251-K258 WeakPolarHBondContact O-CD 3.41Å; Q251-K258 WeakPolarHBondContact O-CE 3.12Å; F253-K258 WeakPolarHBondContact O-CD 3.35Å; N255-K258 WeakPolarHBondContact O-CB 3.46Å; N255-K258 PolarHBondContact O-N 2.8Å; N255-K258 PolarHBondContact OD1-N 3.32Å; P256-K258 VanDerWaalsContact C-N 3.34Å; P256-K258 PolarHBondContact O-N 2.94Å; K258-I260 PolarHBondContact O-N 3.1Å; K258-F261 PolarHBondContact O-N 2.9Å; K258-E262 WeakPolarHBondContact O-CG 3.41Å; K258-E262 PolarHBondContact O-N 2.86Å
259	T	91.6	Very high	90.6	Very high	86 Å²	86	66.1 Å²	66.1	53%	0.528	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-48.8	179.3	-52.9	0	0	0	0	111.5	N255 P256 I257 F261 E262 D263	N255-T259 PolarHBondContact O-N 3.08Å; P256-T259 PolarHBondContact O-N 3.13Å; I257-T259 PolarHBondContact O-N 2.91Å; T259-F261 VanDerWaalsContact C-N 3.25Å; T259-F261 PolarHBondContact O-N 2.95Å; T259-E262 PolarHBondContact O-N 3.35Å; T259-E262 VanDerWaalsContact O-N 3.16Å; T259-D263 PolarHBondContact O-N 3.32Å
260	I	89.6	Confident	90.6	Very high	60 Å²	60	63.8 Å²	63.8	31%	0.308	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-32.8	178.8	-60	164.9	0	0	0	111	T237 A240 P256 I257 K258 D263 F264	T237-I260 HydrophobicContact CG2-CG2 3.88Å; A240-I260 HydrophobicContact CB-CB 3.76Å; A240-I260 HydrophobicContact CB-CG2 3.42Å; A240-I260 VanDerWaalsContact CB-CG2 3.42Å; P256-I260 VanDerWaalsContact O-CG1 3.26Å; P256-I260 WeakPolarHBondContact O-CG1 3.39Å; P256-I260 PolarHBondContact O-N 3.25Å; I257-I260 PolarHBondContact O-N 3.44Å; K258-I260 PolarHBondContact O-N 3.1Å; I260-D263 WeakPolarHBondContact O-CB 3.49Å; I260-D263 PolarHBondContact O-N 3Å; I260-F264 PolarHBondContact O-N 3.46Å
261	F	90.7	Very high	90.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-72.8	-33.9	175.5	-172.3	-122.4	0	0	0	112.8	T124 F128 V244 I257 K258 T259 D263 F264 K265	T124-F261 HydrophobicContact CG2-CE1 4.26Å; T124-F261 HydrophobicContact CG2-CZ 4Å; F128-F261 AromaticContact CD2-CZ 3.89Å; F128-F261 HydrophobicContact CD2-CZ 3.89Å; F128-F261 HydrophobicContact CE2-CE1 4.17Å; F128-F261 AromaticContact CE2-CZ 3.84Å; F128-F261 HydrophobicContact CE2-CZ 3.84Å; V244-F261 HydrophobicContact CB-CD2 4.46Å; V244-F261 HydrophobicContact CG1-CD1 4.26Å; V244-F261 HydrophobicContact CG1-CE1 3.95Å; V244-F261 HydrophobicContact CG1-CE2 4.48Å; V244-F261 HydrophobicContact CG1-CZ 4.09Å; V244-F261 HydrophobicContact CG2-CB 4.19Å; V244-F261 HydrophobicContact CG2-CD1 4.12Å; V244-F261 HydrophobicContact CG2-CD2 4.26Å; V244-F261 HydrophobicContact CG2-CG 3.94Å; I257-F261 VanDerWaalsContact O-CB 3.26Å; I257-F261 WeakPolarHBondContact O-CB 3.31Å; I257-F261 PolarHBondContact O-N 3.41Å; K258-F261 PolarHBondContact O-N 2.9Å; T259-F261 VanDerWaalsContact C-N 3.25Å; T259-F261 PolarHBondContact O-N 2.95Å; F261-D263 VanDerWaalsContact C-N 3.35Å; F261-F264 HydrophobicContact CD2-CB 4.32Å; F261-F264 HydrophobicContact CD2-CD1 4.02Å; F261-F264 HydrophobicContact CD2-CG 4.45Å; F261-F264 AromaticContact CE2-CD1 3.79Å; F261-F264 HydrophobicContact CE2-CD1 3.79Å; F261-F264 HydrophobicContact CE2-CE1 4.26Å; F261-F264 WeakPolarHBondContact O-CB 3.15Å; F261-F264 PolarHBondContact O-N 2.93Å; F261-K265 VanDerWaalsContact CD1-CE 3.5Å; F261-K265 HydrophobicContact CE1-CD 4.49Å; F261-K265 WeakPolarHBondContact O-CG 3.32Å; F261-K265 PolarHBondContact O-N 3.05Å
262	E	91.9	Very high	90.6	Very high	67 Å²	67	63.7 Å²	63.7	31%	0.313	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-40.4	169.5	-67.1	-54.4	143.2	0	0	111.2	K258 T259 F264 K265 N266	K258-E262 WeakPolarHBondContact O-CG 3.41Å; K258-E262 PolarHBondContact O-N 2.86Å; T259-E262 PolarHBondContact O-N 3.35Å; T259-E262 VanDerWaalsContact O-N 3.16Å; E262-F264 VanDerWaalsContact C-N 3.29Å; E262-F264 PolarHBondContact O-N 3.22Å; E262-K265 PolarHBondContact O-N 2.87Å; E262-K265 VanDerWaalsContact O-N 3.13Å; E262-K265 IonicContact OE1-NZ 3.2Å; E262-K265 PolarHBondContact OE1-NZ 3.38Å; E262-K265 WeakPolarHBondContact OE2-CD 3.33Å; E262-K265 IonicContact OE2-NZ 3.42Å; E262-N266 PolarHBondContact O-N 3.09Å; E262-N266 PolarHBondContact O-ND2 2.89Å
263	D	90.1	Very high	90.7	Very high	83 Å²	83	57.5 Å²	57.5	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-59.4	-41.4	172.3	-67.1	-24.5	0	0	0	111.3	T237 T259 I260 F261 K265 N266 L267	T237-D263 HydrophobicContact CG2-CB 4.14Å; T259-D263 PolarHBondContact O-N 3.32Å; I260-D263 WeakPolarHBondContact O-CB 3.49Å; I260-D263 PolarHBondContact O-N 3Å; F261-D263 VanDerWaalsContact C-N 3.35Å; D263-K265 PolarHBondContact O-N 3.27Å; D263-N266 PolarHBondContact O-N 3.47Å; D263-L267 VanDerWaalsContact O-CB 3.24Å; D263-L267 WeakPolarHBondContact O-CB 3.46Å; D263-L267 PolarHBondContact O-N 3.02Å
264	F	89.4	Confident	90.6	Very high	1 Å²	1	54 Å²	54	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-44.2	173.4	175.4	-95.6	0	0	0	112.4	S125 F128 I129 F234 I260 F261 E262 L267 N268	S125-F264 WeakPolarHBondContact O-CE1 3.37Å; F128-F264 HydrophobicContact CB-CE1 4.21Å; I129-F264 HydrophobicContact CD1-CZ 4.13Å; I129-F264 HydrophobicContact CG1-CZ 3.95Å; F234-F264 HydrophobicContact CD2-CE2 4.25Å; F234-F264 HydrophobicContact CE2-CD2 4.46Å; F234-F264 AromaticContact CE2-CE2 3.69Å; F234-F264 HydrophobicContact CE2-CE2 3.69Å; F234-F264 HydrophobicContact CE2-CZ 4.46Å; F234-F264 HydrophobicContact CZ-CE2 4.26Å; I260-F264 PolarHBondContact O-N 3.46Å; F261-F264 HydrophobicContact CD2-CB 4.32Å; F261-F264 HydrophobicContact CD2-CD1 4.02Å; F261-F264 HydrophobicContact CD2-CG 4.45Å; F261-F264 AromaticContact CE2-CD1 3.79Å; F261-F264 HydrophobicContact CE2-CD1 3.79Å; F261-F264 HydrophobicContact CE2-CE1 4.26Å; F261-F264 WeakPolarHBondContact O-CB 3.15Å; F261-F264 PolarHBondContact O-N 2.93Å; E262-F264 VanDerWaalsContact C-N 3.29Å; E262-F264 PolarHBondContact O-N 3.22Å; F264-L267 PolarHBondContact O-N 3.24Å; F264-N268 WeakPolarHBondContact CE2-ND2 3.29Å; F264-N268 VanDerWaalsContact CZ-ND2 3.31Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.48Å; F264-N268 PolarHBondContact O-N 3.35Å; F264-N268 VanDerWaalsContact O-N 3.14Å; F264-N268 PolarHBondContact O-ND2 3.17Å
265	K	90.9	Very high	90.6	Very high	34 Å²	34	48.1 Å²	48.1	15%	0.148	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-47.8	178.2	-66.6	174.6	-167.8	170.4	0	111.7	F128 F261 E262 D263 L267 N268 R269	F128-K265 HydrophobicContact CB-CG 4.43Å; F128-K265 HydrophobicContact CD1-CB 4.29Å; F128-K265 HydrophobicContact CD1-CD 4.08Å; F128-K265 HydrophobicContact CD1-CG 3.72Å; F128-K265 HydrophobicContact CD2-CD 4.5Å; F128-K265 HydrophobicContact CD2-CG 4.03Å; F128-K265 HydrophobicContact CE1-CD 3.72Å; F128-K265 HydrophobicContact CE1-CG 3.91Å; F128-K265 HydrophobicContact CE2-CD 4.19Å; F128-K265 HydrophobicContact CE2-CG 4.22Å; F128-K265 HydrophobicContact CG-CD 4.46Å; F128-K265 HydrophobicContact CG-CG 3.79Å; F128-K265 HydrophobicContact CZ-CD 3.79Å; F128-K265 VanDerWaalsContact CZ-CE 3.49Å; F128-K265 HydrophobicContact CZ-CG 4.17Å; F261-K265 VanDerWaalsContact CD1-CE 3.5Å; F261-K265 HydrophobicContact CE1-CD 4.49Å; F261-K265 WeakPolarHBondContact O-CG 3.32Å; F261-K265 PolarHBondContact O-N 3.05Å; E262-K265 PolarHBondContact O-N 2.87Å; E262-K265 VanDerWaalsContact O-N 3.13Å; E262-K265 IonicContact OE1-NZ 3.2Å; E262-K265 PolarHBondContact OE1-NZ 3.38Å; E262-K265 WeakPolarHBondContact OE2-CD 3.33Å; E262-K265 IonicContact OE2-NZ 3.42Å; D263-K265 PolarHBondContact O-N 3.27Å; K265-L267 VanDerWaalsContact C-N 3.3Å; K265-L267 PolarHBondContact O-N 3.28Å; K265-N268 PolarHBondContact O-N 3.22Å; K265-R269 WeakPolarHBondContact O-CB 3.42Å; K265-R269 PolarHBondContact O-N 3.42Å
266	N	90.6	Very high	90.6	Very high	79 Å²	79	51.5 Å²	51.5	42%	0.422	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-43.6	179.1	-68.5	-29.3	0	0	0	110.9	E262 D263 N268 R269 D270	E262-N266 PolarHBondContact O-N 3.09Å; E262-N266 PolarHBondContact O-ND2 2.89Å; D263-N266 PolarHBondContact O-N 3.47Å; N266-N268 PolarHBondContact O-N 3.32Å; N266-R269 WeakPolarHBondContact O-CB 3.36Å; N266-R269 PolarHBondContact O-N 2.94Å; N266-D270 PolarHBondContact O-N 2.9Å
267	L	88.1	Confident	90.7	Very high	16 Å²	16	50.1 Å²	50.1	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-46.5	177.7	-163.3	88.6	0	0	0	112.8	R230 K233 F234 D263 F264 K265 F271	R230-L267 HydrophobicContact CB-CD1 3.63Å; R230-L267 HydrophobicContact CB-CG 4.19Å; R230-L267 HydrophobicContact CG-CD1 3.38Å; R230-L267 HydrophobicContact CG-CG 4.19Å; K233-L267 HydrophobicContact CB-CD1 3.85Å; K233-L267 HydrophobicContact CD-CD1 4.29Å; F234-L267 VanDerWaalsContact CA-CD2 3.43Å; F234-L267 HydrophobicContact CB-CD2 3.54Å; F234-L267 HydrophobicContact CD2-CD2 3.86Å; F234-L267 HydrophobicContact CG-CD2 4.19Å; D263-L267 VanDerWaalsContact O-CB 3.24Å; D263-L267 WeakPolarHBondContact O-CB 3.46Å; D263-L267 PolarHBondContact O-N 3.02Å; F264-L267 PolarHBondContact O-N 3.24Å; K265-L267 VanDerWaalsContact C-N 3.3Å; K265-L267 PolarHBondContact O-N 3.28Å; L267-F271 WeakPolarHBondContact O-CB 3.46Å; L267-F271 PolarHBondContact O-N 3.41Å
268	N	88.9	Confident	90.8	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.064	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-35.5	178.8	-77.9	-84.5	0	0	0	112	F128 F264 K265 N266 F271 G272	F128-N268 WeakPolarHBondContact O-CB 3.33Å; F264-N268 WeakPolarHBondContact CE2-ND2 3.29Å; F264-N268 VanDerWaalsContact CZ-ND2 3.31Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.48Å; F264-N268 PolarHBondContact O-N 3.35Å; F264-N268 VanDerWaalsContact O-N 3.14Å; F264-N268 PolarHBondContact O-ND2 3.17Å; K265-N268 PolarHBondContact O-N 3.22Å; N266-N268 PolarHBondContact O-N 3.32Å; N268-F271 PolarHBondContact O-N 3.27Å; N268-G272 PolarHBondContact O-N 3.08Å
269	R	90.8	Very high	90.9	Very high	172 Å²	172	45.6 Å²	45.6	65%	0.649	23%	0.225	S	C	*	.	H	α-helix	trans	-61	-49.6	174.3	179.1	-176.4	172.5	-178.3	-2.4	111.1	K265 N266 F271 G272 V273	K265-R269 WeakPolarHBondContact O-CB 3.42Å; K265-R269 PolarHBondContact O-N 3.42Å; N266-R269 WeakPolarHBondContact O-CB 3.36Å; N266-R269 PolarHBondContact O-N 2.94Å; R269-F271 VanDerWaalsContact C-N 3.33Å; R269-F271 PolarHBondContact O-N 2.93Å; R269-G272 PolarHBondContact O-N 3.35Å; R269-V273 WeakPolarHBondContact O-CG2 3.25Å; R269-V273 PolarHBondContact O-N 3.16Å
270	D	88.7	Confident	91.1	Very high	61 Å²	61	44.9 Å²	44.9	33%	0.326	22%	0.218	S	C	.	.	H	α-helix	trans	-66.7	-38.3	-178.7	-61	-21.8	0	0	0	111.6	R230 N266 V273 F274	R230-D270 IonicContact CZ-OD2 3.6Å; R230-D270 IonicContact NE-OD2 2.72Å; R230-D270 VanDerWaalsContact NH2-CG 3.28Å; R230-D270 IonicContact NH2-OD2 3.67Å; R230-D270 PolarHBondContact NH2-OD2 3.35Å; N266-D270 PolarHBondContact O-N 2.9Å; D270-V273 WeakPolarHBondContact O-CB 3.38Å; D270-V273 PolarHBondContact O-N 3.47Å; D270-F274 PolarHBondContact O-N 3.09Å
271	F	89.2	Confident	91.3	Very high	37 Å²	37	46.4 Å²	46.4	16%	0.162	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-44.3	171.7	-178	-104.2	0	0	0	111.5	V227 L267 N268 R269 V273 F274 I275 G323 F326	V227-F271 HydrophobicContact CG1-CD2 4.42Å; L267-F271 WeakPolarHBondContact O-CB 3.46Å; L267-F271 PolarHBondContact O-N 3.41Å; N268-F271 PolarHBondContact O-N 3.27Å; R269-F271 VanDerWaalsContact C-N 3.33Å; R269-F271 PolarHBondContact O-N 2.93Å; F271-V273 VanDerWaalsContact C-N 3.31Å; F271-V273 PolarHBondContact O-N 3.36Å; F271-F274 WeakPolarHBondContact O-CB 3.42Å; F271-F274 PolarHBondContact O-N 2.89Å; F271-I275 HydrophobicContact CD1-CG1 4.26Å; F271-I275 HydrophobicContact CE1-CD1 4.34Å; F271-I275 HydrophobicContact CE1-CG1 3.9Å; F271-I275 HydrophobicContact CE2-CD1 4.2Å; F271-I275 HydrophobicContact CE2-CG1 4.29Å; F271-I275 HydrophobicContact CZ-CD1 3.87Å; F271-I275 HydrophobicContact CZ-CG1 3.92Å; F271-I275 WeakPolarHBondContact O-CG1 3.4Å; F271-I275 PolarHBondContact O-N 3.15Å; F271-G323 WeakPolarHBondContact CE1-O 3.5Å; F271-F326 AromaticContact CE2-CD1 3.69Å; F271-F326 HydrophobicContact CE2-CD1 3.69Å; F271-F326 HydrophobicContact CE2-CE1 4.11Å; F271-F326 AromaticContact CZ-CD1 3.86Å; F271-F326 HydrophobicContact CZ-CD1 3.86Å
272	G	91.1	Very high	91.4	Very high	16 Å²	16	47 Å²	47	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-38.1	175.4	0	0	0	0	0	113	N268 R269 R276	N268-G272 PolarHBondContact O-N 3.08Å; R269-G272 PolarHBondContact O-N 3.35Å; G272-R276 VanDerWaalsContact O-CB 3.22Å; G272-R276 WeakPolarHBondContact O-CB 3.5Å; G272-R276 PolarHBondContact O-N 3.31Å
273	V	91.4	Very high	91.5	Very high	48 Å²	48	48 Å²	48	29%	0.291	23%	0.227	S	C	.	.	H	α-helix	trans	-60.4	-51.7	172.8	165.7	0	0	0	0	110.9	R269 D270 F271 I275 R276 D277	R269-V273 WeakPolarHBondContact O-CG2 3.25Å; R269-V273 PolarHBondContact O-N 3.16Å; D270-V273 WeakPolarHBondContact O-CB 3.38Å; D270-V273 PolarHBondContact O-N 3.47Å; F271-V273 VanDerWaalsContact C-N 3.31Å; F271-V273 PolarHBondContact O-N 3.36Å; V273-I275 PolarHBondContact O-N 3.4Å; V273-R276 PolarHBondContact O-N 3.38Å; V273-D277 WeakPolarHBondContact O-CB 3.5Å; V273-D277 PolarHBondContact O-N 3.03Å
274	F	90.5	Very high	91.6	Very high	11 Å²	11	52.1 Å²	52.1	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-54.7	-49.1	178.5	171.5	-97.5	0	0	0	112.3	F213 V227 D270 F271 D277 K278 F326	F213-F274 HydrophobicContact CE2-CE1 4.3Å; V227-F274 HydrophobicContact CG1-CD1 4.04Å; V227-F274 HydrophobicContact CG1-CE1 4.08Å; V227-F274 HydrophobicContact CG1-CG 4.35Å; V227-F274 HydrophobicContact CG1-CZ 4.4Å; V227-F274 HydrophobicContact CG2-CB 4.33Å; V227-F274 HydrophobicContact CG2-CD1 4.42Å; V227-F274 HydrophobicContact CG2-CD2 3.74Å; V227-F274 HydrophobicContact CG2-CE2 4.1Å; V227-F274 HydrophobicContact CG2-CG 3.9Å; D270-F274 PolarHBondContact O-N 3.09Å; F271-F274 WeakPolarHBondContact O-CB 3.42Å; F271-F274 PolarHBondContact O-N 2.89Å; F274-D277 PolarHBondContact O-N 3.44Å; F274-K278 HydrophobicContact CZ-CG 4.43Å; F274-K278 WeakPolarHBondContact O-CG 3.43Å; F274-K278 PolarHBondContact O-N 2.93Å; F274-F326 HydrophobicContact CE1-CE1 4.12Å
275	I	93.1	Very high	91.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-44.8	-179.5	-60.2	-68.7	0	0	0	111.1	F213 F271 V273 D277 K278 V279 T319 M322 F326	F213-I275 HydrophobicContact CE1-CD1 4.42Å; F213-I275 HydrophobicContact CE2-CD1 4.22Å; F213-I275 HydrophobicContact CZ-CD1 3.55Å; F271-I275 HydrophobicContact CD1-CG1 4.26Å; F271-I275 HydrophobicContact CE1-CD1 4.34Å; F271-I275 HydrophobicContact CE1-CG1 3.9Å; F271-I275 HydrophobicContact CE2-CD1 4.2Å; F271-I275 HydrophobicContact CE2-CG1 4.29Å; F271-I275 HydrophobicContact CZ-CD1 3.87Å; F271-I275 HydrophobicContact CZ-CG1 3.92Å; F271-I275 WeakPolarHBondContact O-CG1 3.4Å; F271-I275 PolarHBondContact O-N 3.15Å; V273-I275 PolarHBondContact O-N 3.4Å; I275-D277 VanDerWaalsContact C-N 3.31Å; I275-D277 PolarHBondContact O-N 3.25Å; I275-K278 WeakPolarHBondContact O-CB 3.3Å; I275-K278 PolarHBondContact O-N 2.91Å; I275-V279 HydrophobicContact CG2-CG2 4.48Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 3.29Å; I275-T319 HydrophobicContact CG2-CG2 4.05Å; I275-T319 WeakPolarHBondContact CG2-O 3.38Å; I275-M322 HydrophobicContact CG2-CB 3.89Å; I275-F326 HydrophobicContact CD1-CB 4.2Å; I275-F326 HydrophobicContact CD1-CD1 3.99Å; I275-F326 HydrophobicContact CD1-CG 4.37Å
276	R	93.6	Very high	91.7	Very high	95 Å²	95	55.6 Å²	55.6	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-42.9	179.9	-176.6	-166.3	62.7	-117.4	-11.8	111.1	G272 V273 K278 V279 I280 T319	G272-R276 VanDerWaalsContact O-CB 3.22Å; G272-R276 WeakPolarHBondContact O-CB 3.5Å; G272-R276 PolarHBondContact O-N 3.31Å; V273-R276 PolarHBondContact O-N 3.38Å; R276-K278 VanDerWaalsContact C-N 3.31Å; R276-K278 PolarHBondContact O-N 2.61Å; R276-V279 PolarHBondContact O-N 2.69Å; R276-I280 HydrophobicContact CG-CD1 3.94Å; R276-I280 HydrophobicContact CG-CG1 4.46Å; R276-I280 WeakPolarHBondContact O-CG1 3.33Å; R276-I280 PolarHBondContact O-N 3.24Å; R276-T319 HydrophobicContact CB-CG2 3.88Å; R276-T319 HydrophobicContact CG-CG2 4.48Å
277	D	93.1	Very high	91.3	Very high	69 Å²	69	57.8 Å²	57.8	37%	0.369	27%	0.273	S	S	.	.	H	α-helix	trans	-64.6	-39.2	-178.5	-64.4	-7.2	0	0	0	110.5	V273 F274 I275 I280 E281	V273-D277 WeakPolarHBondContact O-CB 3.5Å; V273-D277 PolarHBondContact O-N 3.03Å; F274-D277 PolarHBondContact O-N 3.44Å; I275-D277 VanDerWaalsContact C-N 3.31Å; I275-D277 PolarHBondContact O-N 3.25Å; D277-I280 PolarHBondContact O-N 2.82Å; D277-E281 WeakPolarHBondContact O-CG 3.3Å; D277-E281 PolarHBondContact O-N 3.34Å
278	K	92.4	Very high	90.7	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-48.2	170.2	-65.1	-68.6	142.6	-147.2	0	112.1	F213 Y217 F274 I275 R276 I280 E281 H282	F213-K278 HydrophobicContact CB-CD 4.32Å; F213-K278 HydrophobicContact CD1-CB 3.79Å; F213-K278 HydrophobicContact CD1-CG 4.23Å; F213-K278 HydrophobicContact CE1-CB 4.13Å; F213-K278 HydrophobicContact CG-CB 4.22Å; F213-K278 HydrophobicContact CG-CD 4.42Å; F213-K278 HydrophobicContact CG-CG 4.2Å; Y217-K278 WeakPolarHBondContact OH-CE 3.45Å; F274-K278 HydrophobicContact CZ-CG 4.43Å; F274-K278 WeakPolarHBondContact O-CG 3.43Å; F274-K278 PolarHBondContact O-N 2.93Å; I275-K278 WeakPolarHBondContact O-CB 3.3Å; I275-K278 PolarHBondContact O-N 2.91Å; R276-K278 VanDerWaalsContact C-N 3.31Å; R276-K278 PolarHBondContact O-N 2.61Å; K278-I280 VanDerWaalsContact C-N 3.29Å; K278-I280 PolarHBondContact O-N 3.5Å; K278-E281 IonicContact NZ-OE1 2.64Å; K278-E281 IonicContact NZ-OE2 2.77Å; K278-E281 PolarHBondContact NZ-OE2 3.41Å; K278-E281 WeakPolarHBondContact O-CB 3.44Å; K278-E281 PolarHBondContact O-N 2.85Å; K278-E281 VanDerWaalsContact O-N 3.15Å; K278-H282 PolarHBondContact O-N 2.97Å; K278-H282 PolarHBondContact O-ND1 3.49Å
279	V	94.1	Very high	90.2	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-39.6	178.9	172.1	0	0	0	0	111.8	I275 R276 H282 R283 T295 V318 M322	I275-V279 HydrophobicContact CG2-CG2 4.48Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 3.29Å; R276-V279 PolarHBondContact O-N 2.69Å; V279-H282 PolarHBondContact O-N 3.47Å; V279-R283 HydrophobicContact CG1-CG 4.49Å; V279-R283 WeakPolarHBondContact O-CG 3.42Å; V279-R283 PolarHBondContact O-N 3.35Å; V279-T295 HydrophobicContact CG2-CG2 4.22Å; V279-V318 HydrophobicContact CB-CG1 4.44Å; V279-V318 HydrophobicContact CG1-CB 4.07Å; V279-V318 HydrophobicContact CG1-CG1 3.67Å; V279-V318 HydrophobicContact CG2-CG1 3.84Å; V279-M322 HydrophobicContact CG2-CG 4.45Å
280	I	94.5	Very high	89.7	Confident	72 Å²	72	60.5 Å²	60.5	37%	0.369	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-42.2	175.8	-70.5	167.7	0	0	0	111.1	R276 D277 K278 H282 R283 K284	R276-I280 HydrophobicContact CG-CD1 3.94Å; R276-I280 HydrophobicContact CG-CG1 4.46Å; R276-I280 WeakPolarHBondContact O-CG1 3.33Å; R276-I280 PolarHBondContact O-N 3.24Å; D277-I280 PolarHBondContact O-N 2.82Å; K278-I280 VanDerWaalsContact C-N 3.29Å; K278-I280 PolarHBondContact O-N 3.5Å; I280-H282 VanDerWaalsContact C-N 3.33Å; I280-H282 PolarHBondContact O-N 3.28Å; I280-R283 PolarHBondContact O-N 2.95Å; I280-K284 HydrophobicContact CG2-CD 4.39Å; I280-K284 WeakPolarHBondContact O-CG 3.31Å; I280-K284 PolarHBondContact O-N 3.43Å
281	E	93.5	Very high	89.5	Confident	91 Å²	91	60.8 Å²	60.8	43%	0.425	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-41.8	175.3	-70.8	170.7	171.5	0	0	111.9	D277 K278 K284 S285	D277-E281 WeakPolarHBondContact O-CG 3.3Å; D277-E281 PolarHBondContact O-N 3.34Å; K278-E281 IonicContact NZ-OE1 2.64Å; K278-E281 IonicContact NZ-OE2 2.77Å; K278-E281 PolarHBondContact NZ-OE2 3.41Å; K278-E281 WeakPolarHBondContact O-CB 3.44Å; K278-E281 PolarHBondContact O-N 2.85Å; K278-E281 VanDerWaalsContact O-N 3.15Å; E281-K284 PolarHBondContact O-N 2.92Å; E281-S285 PolarHBondContact O-OG 3.14Å
282	H	94.3	Very high	89.4	Confident	12 Å²	12	64.1 Å²	64.1	6%	0.056	34%	0.336	C	S	.	.	H	α-helix	trans	-66.5	-47.8	178.9	-71	65	0	0	0	110.8	F213 K278 V279 I280 K284 S285 I286 D293 T295 D296 I299	F213-H282 WeakPolarHBondContact CA-NE2 3.42Å; F213-H282 PolarHBondContact O-CE1 3.35Å; F213-H282 PolarHBondContact O-NE2 2.9Å; K278-H282 PolarHBondContact O-N 2.97Å; K278-H282 PolarHBondContact O-ND1 3.49Å; V279-H282 PolarHBondContact O-N 3.47Å; I280-H282 VanDerWaalsContact C-N 3.33Å; I280-H282 PolarHBondContact O-N 3.28Å; H282-K284 PolarHBondContact O-N 3.06Å; H282-K284 VanDerWaalsContact O-N 3.14Å; H282-S285 CarbonylContact O-C 3.1Å; H282-S285 PolarHBondContact O-N 2.99Å; H282-S285 PolarHBondContact O-OG 3.2Å; H282-I286 WeakPolarHBondContact O-CB 3.47Å; H282-I286 PolarHBondContact O-N 3.39Å; H282-D293 IonicContact CD2-OD1 3.64Å; H282-D293 PolarHBondContact CD2-OD1 3.08Å; H282-D293 IonicContact CD2-OD2 3.09Å; H282-D293 PolarHBondContact CD2-OD2 2.91Å; H282-D293 VanDerWaalsContact CD2-OD2 3.31Å; H282-D293 IonicContact NE2-OD1 3.64Å; H282-D293 IonicContact NE2-OD2 3.34Å; H282-D293 PolarHBondContact NE2-OD2 3.38Å; H282-T295 HydrophobicContact CB-CG2 3.72Å; H282-D296 IonicContact CD2-OD1 2.68Å; H282-D296 PolarHBondContact CD2-OD1 2.93Å; H282-I299 HydrophobicContact CB-CD1 4.11Å
283	R	92.4	Very high	89.5	Confident	88 Å²	88	63.5 Å²	63.5	33%	0.332	33%	0.329	S	S	.	.	H	α-helix	trans	-58.4	-28.8	177.8	-73.7	-169.8	177.6	-73.7	7.2	113.7	V279 I280 S285 I299 D316	V279-R283 HydrophobicContact CG1-CG 4.49Å; V279-R283 WeakPolarHBondContact O-CG 3.42Å; V279-R283 PolarHBondContact O-N 3.35Å; I280-R283 PolarHBondContact O-N 2.95Å; R283-S285 VanDerWaalsContact C-N 3.34Å; R283-I299 HydrophobicContact CG-CD1 3.83Å; R283-D316 IonicContact CZ-OD2 3.72Å; R283-D316 IonicContact NE-OD2 3.5Å; R283-D316 PolarHBondContact NE-OD2 3.1Å; R283-D316 IonicContact NH2-OD1 3.24Å; R283-D316 PolarHBondContact NH2-OD1 2.81Å; R283-D316 VanDerWaalsContact NH2-OD1 3.12Å; R283-D316 IonicContact NH2-OD2 2.82Å; R283-D316 PolarHBondContact NH2-OD2 2.95Å
284	K	93.6	Very high	89.6	Confident	171 Å²	171	61.2 Å²	61.2	74%	0.743	32%	0.315	S	S	*	.	H	α-helix	trans	-74	-22.7	176.8	-74.2	172.3	-178.6	175.9	0	114	I280 E281 H282	I280-K284 HydrophobicContact CG2-CD 4.39Å; I280-K284 WeakPolarHBondContact O-CG 3.31Å; I280-K284 PolarHBondContact O-N 3.43Å; E281-K284 PolarHBondContact O-N 2.92Å; H282-K284 PolarHBondContact O-N 3.06Å; H282-K284 VanDerWaalsContact O-N 3.14Å
285	S	91.4	Very high	89.8	Confident	57 Å²	57	60.7 Å²	60.7	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-128.4	10	-167.7	58	0	0	0	0	113.2	E281 H282 R283 R292	E281-S285 PolarHBondContact O-OG 3.14Å; H282-S285 CarbonylContact O-C 3.1Å; H282-S285 PolarHBondContact O-N 2.99Å; H282-S285 PolarHBondContact O-OG 3.2Å; R283-S285 VanDerWaalsContact C-N 3.34Å; S285-R292 PolarHBondContact O-NH1 3.36Å; S285-R292 PolarHBondContact OG-NH1 3.27Å; S285-R292 PolarHBondContact OG-NH2 2.97Å
286	I	89.9	Confident	89.8	Confident	50 Å²	50	60.6 Å²	60.6	26%	0.256	31%	0.312	S	S	.	.			trans	-74.4	133.5	-175.6	-166.4	168.1	0	0	0	111	H282 D296 I299 V300	H282-I286 WeakPolarHBondContact O-CB 3.47Å; H282-I286 PolarHBondContact O-N 3.39Å; I286-D296 HydrophobicContact CD1-CB 4.19Å; I286-D296 HydrophobicContact CG1-CB 4.46Å; I286-I299 HydrophobicContact CD1-CB 3.7Å; I286-I299 HydrophobicContact CD1-CD1 4.12Å; I286-I299 HydrophobicContact CD1-CG2 3.49Å; I286-I299 VanDerWaalsContact CD1-CG2 3.49Å; I286-V300 HydrophobicContact CD1-CG2 3.9Å
287	E	82.8	Confident	89.7	Confident	125 Å²	125	56.3 Å²	56.3	58%	0.584	30%	0.297	S	S	*	.	B	Isolated β-bridge	trans	-118.3	118.9	171.2	-66.3	-179.8	-177.5	0	0	107.7	S289 A290	E287-S289 PolarHBondContact O-N 2.69Å; E287-S289 VanDerWaalsContact O-N 3.07Å; E287-A290 HydrophobicContact CB-CB 4.47Å; E287-A290 CarbonylContact O-C 3.59Å; E287-A290 PolarHBondContact O-N 2.91Å
288	S	75.5	Confident	89.7	Confident	102 Å²	102	53 Å²	53	71%	0.713	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.6	-174.4	55.3	0	0	0	0	113.7
289	S	77.5	Confident	89.7	Confident	111 Å²	111	52.8 Å²	52.8	78%	0.776	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-17	175.6	48.3	0	0	0	0	114.3	E287	E287-S289 PolarHBondContact O-N 2.69Å; E287-S289 VanDerWaalsContact O-N 3.07Å
290	A	81.1	Confident	89.5	Confident	45 Å²	45	53.8 Å²	53.8	37%	0.372	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-134.5	94.7	-172.5	0	0	0	0	0	111.3	E287 R292	E287-A290 HydrophobicContact CB-CB 4.47Å; E287-A290 CarbonylContact O-C 3.59Å; E287-A290 PolarHBondContact O-N 2.91Å; A290-R292 PolarHBondContact O-N 2.59Å
291	I	85.1	Confident	89.2	Confident	66 Å²	66	51.4 Å²	51.4	34%	0.338	28%	0.276	S	S	.	.			trans	-78	111.4	175.7	-58.1	-56.4	0	0	0	109.6	D293 D296 A297 V300	I291-D293 WeakPolarHBondContact CG2-O 3.33Å; I291-D296 HydrophobicContact CD1-CB 4.33Å; I291-D296 HydrophobicContact CG2-CB 4.23Å; I291-A297 HydrophobicContact CG2-CB 3.65Å; I291-V300 HydrophobicContact CD1-CB 4.05Å; I291-V300 HydrophobicContact CD1-CG1 4.49Å; I291-V300 HydrophobicContact CD1-CG2 3.63Å
292	R	87.1	Confident	89	Confident	107 Å²	107	48.2 Å²	48.2	40%	0.404	26%	0.261	S	S	.	.			trans	-81.1	-40.6	-179.7	-60.1	170.3	-66.7	-171	-1.7	112.4	S285 A290 D296	S285-R292 PolarHBondContact O-NH1 3.36Å; S285-R292 PolarHBondContact OG-NH1 3.27Å; S285-R292 PolarHBondContact OG-NH2 2.97Å; A290-R292 PolarHBondContact O-N 2.59Å; R292-D296 VanDerWaalsContact CB-OD2 3.31Å; R292-D296 WeakPolarHBondContact CB-OD2 3.36Å; R292-D296 WeakPolarHBondContact CG-OD2 3.47Å; R292-D296 IonicContact CZ-OD1 2.75Å; R292-D296 IonicContact CZ-OD2 2.85Å; R292-D296 PolarHBondContact N-OD2 2.95Å; R292-D296 VanDerWaalsContact N-OD2 3.16Å; R292-D296 IonicContact NE-OD1 3.91Å; R292-D296 IonicContact NE-OD2 3.45Å; R292-D296 PolarHBondContact NE-OD2 2.91Å; R292-D296 IonicContact NH2-OD1 3.12Å; R292-D296 PolarHBondContact NH2-OD1 2.9Å; R292-D296 IonicContact NH2-OD2 3.19Å; R292-D296 PolarHBondContact NH2-OD2 2.8Å
293	D	91.9	Very high	88.6	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	28%	0.275	C	S	.	.	S	Bend	trans	-156	-175.7	-170.1	54.9	55.7	0	0	0	112	I211 G214 H282 I291 T295 D296 A297	I211-D293 WeakPolarHBondContact O-CB 3.37Å; G214-D293 PolarHBondContact N-OD2 2.83Å; H282-D293 IonicContact CD2-OD1 3.64Å; H282-D293 PolarHBondContact CD2-OD1 3.08Å; H282-D293 IonicContact CD2-OD2 3.09Å; H282-D293 PolarHBondContact CD2-OD2 2.91Å; H282-D293 VanDerWaalsContact CD2-OD2 3.31Å; H282-D293 IonicContact NE2-OD1 3.64Å; H282-D293 IonicContact NE2-OD2 3.34Å; H282-D293 PolarHBondContact NE2-OD2 3.38Å; I291-D293 WeakPolarHBondContact CG2-O 3.33Å; D293-T295 VanDerWaalsContact C-N 3.28Å; D293-T295 PolarHBondContact O-N 3.41Å; D293-T295 WeakPolarHBondContact OD1-CA 3.4Å; D293-T295 WeakPolarHBondContact OD1-CB 3.39Å; D293-T295 PolarHBondContact OD1-N 3.42Å; D293-D296 PolarHBondContact O-N 2.91Å; D293-D296 PolarHBondContact OD1-N 3.42Å; D293-A297 WeakPolarHBondContact O-CB 3.28Å; D293-A297 PolarHBondContact O-N 2.77Å
294	M	93.8	Very high	88.2	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-27.3	-177	-158.1	178.2	-73.9	0	0	113.1	T154 V155 F158 I211 F298 M322 I325 L473	T154-M294 HydrophobicContact CG2-CG 3.61Å; V155-M294 HydrophobicContact CG2-CE 4.2Å; V155-M294 HydrophobicContact CG2-SD 3.8Å; F158-M294 HydrophobicContact CB-CE 3.89Å; F158-M294 HydrophobicContact CD2-CB 4.31Å; F158-M294 HydrophobicContact CD2-CE 3.81Å; F158-M294 HydrophobicContact CD2-CG 4.09Å; F158-M294 HydrophobicContact CE2-CB 3.98Å; F158-M294 HydrophobicContact CE2-CG 4.05Å; F158-M294 HydrophobicContact CG-CE 3.88Å; F158-M294 HydrophobicContact CZ-CB 4.25Å; I211-M294 HydrophobicContact CG2-CE 3.72Å; I211-M294 VanDerWaalsContact O-CB 3.3Å; I211-M294 WeakPolarHBondContact O-CB 3.42Å; I211-M294 PolarHBondContact O-N 3.46Å; M294-F298 WeakPolarHBondContact O-CB 3.34Å; M294-F298 PolarHBondContact O-N 3.18Å; M294-M322 HydrophobicContact CG-CE 4.43Å; M294-I325 HydrophobicContact SD-CD1 3.83Å; M294-I325 HydrophobicContact SD-CG2 4.02Å; M294-L473 HydrophobicContact CE-CD2 4.37Å
295	T	95.1	Very high	87.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.4	-49.7	176.2	-66.1	0	0	0	0	109.8	C212 V279 H282 D293 A297 F298 I299 V318 M322	C212-T295 VanDerWaalsContact O-CB 3.3Å; C212-T295 WeakPolarHBondContact O-CB 3.44Å; C212-T295 PolarHBondContact O-N 2.94Å; C212-T295 PolarHBondContact O-OG1 2.98Å; V279-T295 HydrophobicContact CG2-CG2 4.22Å; H282-T295 HydrophobicContact CB-CG2 3.72Å; D293-T295 VanDerWaalsContact C-N 3.28Å; D293-T295 PolarHBondContact O-N 3.41Å; D293-T295 WeakPolarHBondContact OD1-CA 3.4Å; D293-T295 WeakPolarHBondContact OD1-CB 3.39Å; D293-T295 PolarHBondContact OD1-N 3.42Å; T295-A297 VanDerWaalsContact C-N 3.34Å; T295-A297 PolarHBondContact O-N 3.05Å; T295-F298 PolarHBondContact O-N 3.46Å; T295-I299 HydrophobicContact CG2-CD1 3.75Å; T295-I299 HydrophobicContact CG2-CG1 4.42Å; T295-I299 VanDerWaalsContact O-CG1 3.3Å; T295-I299 WeakPolarHBondContact O-CG1 3.31Å; T295-I299 PolarHBondContact O-N 2.98Å; T295-V318 HydrophobicContact CG2-CG1 4.17Å; T295-M322 PolarHBondContact OG1-SD 3.47Å
296	D	93.2	Very high	87	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-46.9	175.1	-77.1	-6.1	0	0	0	111.7	H282 I286 I291 R292 D293 F298 I299 V300	H282-D296 IonicContact CD2-OD1 2.68Å; H282-D296 PolarHBondContact CD2-OD1 2.93Å; I286-D296 HydrophobicContact CD1-CB 4.19Å; I286-D296 HydrophobicContact CG1-CB 4.46Å; I291-D296 HydrophobicContact CD1-CB 4.33Å; I291-D296 HydrophobicContact CG2-CB 4.23Å; R292-D296 VanDerWaalsContact CB-OD2 3.31Å; R292-D296 WeakPolarHBondContact CB-OD2 3.36Å; R292-D296 WeakPolarHBondContact CG-OD2 3.47Å; R292-D296 IonicContact CZ-OD1 2.75Å; R292-D296 IonicContact CZ-OD2 2.85Å; R292-D296 PolarHBondContact N-OD2 2.95Å; R292-D296 VanDerWaalsContact N-OD2 3.16Å; R292-D296 IonicContact NE-OD1 3.91Å; R292-D296 IonicContact NE-OD2 3.45Å; R292-D296 PolarHBondContact NE-OD2 2.91Å; R292-D296 IonicContact NH2-OD1 3.12Å; R292-D296 PolarHBondContact NH2-OD1 2.9Å; R292-D296 IonicContact NH2-OD2 3.19Å; R292-D296 PolarHBondContact NH2-OD2 2.8Å; D293-D296 PolarHBondContact O-N 2.91Å; D293-D296 PolarHBondContact OD1-N 3.42Å; D296-F298 PolarHBondContact O-N 3.06Å; D296-I299 PolarHBondContact O-N 2.96Å; D296-V300 WeakPolarHBondContact O-CG2 3.11Å; D296-V300 PolarHBondContact O-N 3.5Å
297	A	91.8	Very high	86.3	Confident	5 Å²	5	51.5 Å²	51.5	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-39.4	179.4	0	0	0	0	0	111.9	T154 M157 F158 I291 D293 T295 A301	T154-A297 HydrophobicContact CG2-CB 3.69Å; M157-A297 HydrophobicContact SD-CB 4.44Å; F158-A297 HydrophobicContact CE2-CB 3.89Å; F158-A297 HydrophobicContact CZ-CB 4.37Å; I291-A297 HydrophobicContact CG2-CB 3.65Å; D293-A297 WeakPolarHBondContact O-CB 3.28Å; D293-A297 PolarHBondContact O-N 2.77Å; T295-A297 VanDerWaalsContact C-N 3.34Å; T295-A297 PolarHBondContact O-N 3.05Å; A297-A301 VanDerWaalsContact O-CB 3.24Å; A297-A301 WeakPolarHBondContact O-CB 3.09Å; A297-A301 PolarHBondContact O-N 3.15Å
298	F	92.9	Very high	85.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-74.5	-39.8	178.7	-165.1	-87.5	0	0	0	112.1	L150 A151 T154 M294 T295 D296 L302 V318 T321 M322	L150-F298 HydrophobicContact CB-CE2 4.06Å; L150-F298 HydrophobicContact CB-CZ 4.42Å; L150-F298 HydrophobicContact CD2-CD2 4.35Å; L150-F298 HydrophobicContact CD2-CE1 4.06Å; L150-F298 HydrophobicContact CD2-CE2 3.78Å; L150-F298 HydrophobicContact CD2-CZ 3.63Å; L150-F298 HydrophobicContact CG-CD2 4.05Å; L150-F298 HydrophobicContact CG-CE2 3.58Å; L150-F298 HydrophobicContact CG-CZ 3.97Å; A151-F298 HydrophobicContact CB-CE2 3.97Å; T154-F298 HydrophobicContact CG2-CB 4.16Å; T154-F298 HydrophobicContact CG2-CD2 4.46Å; M294-F298 WeakPolarHBondContact O-CB 3.34Å; M294-F298 PolarHBondContact O-N 3.18Å; T295-F298 PolarHBondContact O-N 3.46Å; D296-F298 PolarHBondContact O-N 3.06Å; F298-L302 HydrophobicContact CE1-CD2 4.35Å; F298-L302 VanDerWaalsContact O-CB 3.25Å; F298-L302 WeakPolarHBondContact O-CB 3.44Å; F298-L302 PolarHBondContact O-N 3.36Å; F298-V318 HydrophobicContact CD1-CB 4.21Å; F298-V318 HydrophobicContact CD1-CG1 4.31Å; F298-V318 HydrophobicContact CD1-CG2 3.86Å; F298-V318 HydrophobicContact CE1-CG2 4.21Å; F298-T321 HydrophobicContact CD2-CG2 4.09Å; F298-T321 HydrophobicContact CE2-CG2 3.65Å; F298-T321 HydrophobicContact CZ-CG2 3.91Å; F298-T321 VanDerWaalsContact CZ-OG1 3.22Å; F298-T321 WeakPolarHBondContact CZ-OG1 3.21Å; F298-M322 HydrophobicContact CB-CE 3.89Å; F298-M322 HydrophobicContact CD2-CE 4.26Å; F298-M322 HydrophobicContact CG-CE 4.02Å
299	I	92.2	Very high	85.3	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-55.2	175.2	-69.7	164	0	0	0	109.8	H282 R283 I286 T295 D296 A301 L302 D303 V318	H282-I299 HydrophobicContact CB-CD1 4.11Å; R283-I299 HydrophobicContact CG-CD1 3.83Å; I286-I299 HydrophobicContact CD1-CB 3.7Å; I286-I299 HydrophobicContact CD1-CD1 4.12Å; I286-I299 HydrophobicContact CD1-CG2 3.49Å; I286-I299 VanDerWaalsContact CD1-CG2 3.49Å; T295-I299 HydrophobicContact CG2-CD1 3.75Å; T295-I299 HydrophobicContact CG2-CG1 4.42Å; T295-I299 VanDerWaalsContact O-CG1 3.3Å; T295-I299 WeakPolarHBondContact O-CG1 3.31Å; T295-I299 PolarHBondContact O-N 2.98Å; D296-I299 PolarHBondContact O-N 2.96Å; I299-A301 VanDerWaalsContact C-N 3.31Å; I299-A301 PolarHBondContact O-N 3.38Å; I299-L302 PolarHBondContact O-N 3.19Å; I299-L302 VanDerWaalsContact O-N 3.13Å; I299-D303 WeakPolarHBondContact CG2-OD2 3.38Å; I299-D303 VanDerWaalsContact O-CG 3.29Å; I299-D303 PolarHBondContact O-N 3.28Å; I299-V318 HydrophobicContact CD1-CG1 4.39Å; I299-V318 HydrophobicContact CG1-CB 4.47Å; I299-V318 HydrophobicContact CG1-CG1 3.83Å; I299-V318 HydrophobicContact CG1-CG2 3.8Å
300	V	90.6	Very high	84.1	Confident	24 Å²	24	47.1 Å²	47.1	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-44.1	-178.5	171.6	0	0	0	0	111.4	I286 I291 D296 L302 D303 Q304	I286-V300 HydrophobicContact CD1-CG2 3.9Å; I291-V300 HydrophobicContact CD1-CB 4.05Å; I291-V300 HydrophobicContact CD1-CG1 4.49Å; I291-V300 HydrophobicContact CD1-CG2 3.63Å; D296-V300 WeakPolarHBondContact O-CG2 3.11Å; D296-V300 PolarHBondContact O-N 3.5Å; V300-L302 PolarHBondContact O-N 2.95Å; V300-D303 PolarHBondContact O-N 3.02Å; V300-Q304 VanDerWaalsContact O-CG 3.29Å; V300-Q304 WeakPolarHBondContact O-CG 3.46Å; V300-Q304 PolarHBondContact O-N 2.88Å; V300-Q304 VanDerWaalsContact O-N 3.08Å
301	A	88.6	Confident	82.9	Confident	22 Å²	22	50 Å²	50	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-70	-32.4	-179.4	0	0	0	0	0	112.7	L150 A297 I299 I305	L150-A301 HydrophobicContact CD1-CB 3.52Å; A297-A301 VanDerWaalsContact O-CB 3.24Å; A297-A301 WeakPolarHBondContact O-CB 3.09Å; A297-A301 PolarHBondContact O-N 3.15Å; I299-A301 VanDerWaalsContact C-N 3.31Å; I299-A301 PolarHBondContact O-N 3.38Å; A301-I305 WeakPolarHBondContact O-CD1 3.32Å; A301-I305 VanDerWaalsContact O-CG1 3.32Å; A301-I305 WeakPolarHBondContact O-CG1 3.4Å; A301-I305 PolarHBondContact O-N 2.98Å
302	L	87.9	Confident	81	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.12	31%	0.308	C	S	.	.	H	α-helix	trans	-69.1	-43.4	174.6	-176.5	63	0	0	0	111.4	L150 F298 I299 V300 I305 T306 V318	L150-L302 HydrophobicContact CD2-CB 3.89Å; L150-L302 HydrophobicContact CD2-CD1 3.82Å; L150-L302 HydrophobicContact CD2-CG 4.46Å; F298-L302 HydrophobicContact CE1-CD2 4.35Å; F298-L302 VanDerWaalsContact O-CB 3.25Å; F298-L302 WeakPolarHBondContact O-CB 3.44Å; F298-L302 PolarHBondContact O-N 3.36Å; I299-L302 PolarHBondContact O-N 3.19Å; I299-L302 VanDerWaalsContact O-N 3.13Å; V300-L302 PolarHBondContact O-N 2.95Å; L302-I305 PolarHBondContact O-N 3.28Å; L302-T306 WeakPolarHBondContact O-CB 3.27Å; L302-T306 PolarHBondContact O-N 3.34Å; L302-T306 PolarHBondContact O-OG1 3.38Å; L302-V318 HydrophobicContact CD2-CG2 3.85Å
303	D	86.2	Confident	79.2	Confident	66 Å²	66	53 Å²	53	35%	0.353	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-44.7	-179.6	-66.8	-15.1	0	0	0	110.4	I299 V300 I305 T306 E307	I299-D303 WeakPolarHBondContact CG2-OD2 3.38Å; I299-D303 VanDerWaalsContact O-CG 3.29Å; I299-D303 PolarHBondContact O-N 3.28Å; V300-D303 PolarHBondContact O-N 3.02Å; D303-I305 PolarHBondContact O-N 3.18Å; D303-T306 WeakPolarHBondContact O-CB 3.42Å; D303-T306 PolarHBondContact O-N 3.03Å; D303-T306 VanDerWaalsContact O-N 3.11Å; D303-E307 WeakPolarHBondContact O-CG 3.33Å; D303-E307 PolarHBondContact O-N 2.89Å
304	Q	84.3	Confident	77.5	Confident	113 Å²	113	55.3 Å²	55.3	53%	0.528	35%	0.35	S	S	.	.	H	α-helix	trans	-57.8	-42.2	174.9	-74.6	174.5	-2.9	0	0	113.6	V300 T306 T308	V300-Q304 VanDerWaalsContact O-CG 3.29Å; V300-Q304 WeakPolarHBondContact O-CG 3.46Å; V300-Q304 PolarHBondContact O-N 2.88Å; V300-Q304 VanDerWaalsContact O-N 3.08Å; Q304-T306 VanDerWaalsContact C-N 3.35Å; Q304-T308 WeakPolarHBondContact O-CB 3.34Å; Q304-T308 PolarHBondContact O-N 3.47Å; Q304-T308 PolarHBondContact O-OG1 3.08Å
305	I	80.6	Confident	76.2	Confident	64 Å²	64	61.4 Å²	61.4	33%	0.328	38%	0.376	S	S	.	.	H	α-helix	trans	-67.4	-40.1	177.6	-71.2	169.6	0	0	0	110.4	L150 A301 L302 D303 T308 A309	L150-I305 HydrophobicContact CD1-CD1 3.71Å; L150-I305 HydrophobicContact CD2-CD1 4.25Å; L150-I305 HydrophobicContact CG-CD1 4.42Å; A301-I305 WeakPolarHBondContact O-CD1 3.32Å; A301-I305 VanDerWaalsContact O-CG1 3.32Å; A301-I305 WeakPolarHBondContact O-CG1 3.4Å; A301-I305 PolarHBondContact O-N 2.98Å; L302-I305 PolarHBondContact O-N 3.28Å; D303-I305 PolarHBondContact O-N 3.18Å; I305-T308 PolarHBondContact O-N 2.85Å; I305-A309 WeakPolarHBondContact O-CB 3.43Å; I305-A309 PolarHBondContact O-N 3.48Å
306	T	77.9	Confident	75.5	Confident	48 Å²	48	64.6 Å²	64.6	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-64.2	-43.1	-178.8	-56	0	0	0	0	110.9	L302 D303 Q304 G310 L311	L302-T306 WeakPolarHBondContact O-CB 3.27Å; L302-T306 PolarHBondContact O-N 3.34Å; L302-T306 PolarHBondContact O-OG1 3.38Å; D303-T306 WeakPolarHBondContact O-CB 3.42Å; D303-T306 PolarHBondContact O-N 3.03Å; D303-T306 VanDerWaalsContact O-N 3.11Å; Q304-T306 VanDerWaalsContact C-N 3.35Å; T306-G310 PolarHBondContact O-N 3.38Å; T306-L311 WeakPolarHBondContact CG2-O 3.46Å; T306-L311 PolarHBondContact O-N 2.85Å
307	E	77.2	Confident	75.2	Confident	156 Å²	156	66.2 Å²	66.2	73%	0.729	40%	0.4	S	S	*	.	H	α-helix	trans	-63.9	-48	174.5	-70.4	175.5	179.9	0	0	112.2	D303	D303-E307 WeakPolarHBondContact O-CG 3.33Å; D303-E307 PolarHBondContact O-N 2.89Å
308	T	69.7	Low	75.2	Confident	129 Å²	129	66 Å²	66	79%	0.791	40%	0.398	S	S	*	.	H	α-helix	trans	-69.8	-35.9	-175.7	-54	0	0	0	0	112.8	Q304 I305	Q304-T308 WeakPolarHBondContact O-CB 3.34Å; Q304-T308 PolarHBondContact O-N 3.47Å; Q304-T308 PolarHBondContact O-OG1 3.08Å; I305-T308 PolarHBondContact O-N 2.85Å
309	A	66.3	Low	75.2	Confident	57 Å²	57	67.5 Å²	67.5	47%	0.471	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.1	-175.8	0	0	0	0	0	113.8	I305 L311	I305-A309 WeakPolarHBondContact O-CB 3.43Å; I305-A309 PolarHBondContact O-N 3.48Å; A309-L311 HydrophobicContact CB-CB 4.33Å; A309-L311 HydrophobicContact CB-CD1 3.6Å; A309-L311 HydrophobicContact CB-CG 3.91Å; A309-L311 PolarHBondContact O-N 3.43Å; A309-L311 VanDerWaalsContact O-N 3.08Å
310	G	53.3	Low	75.3	Confident	61 Å²	61	67.8 Å²	67.8	63%	0.629	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	18.8	-174.2	0	0	0	0	0	113.5	T306 S312	T306-G310 PolarHBondContact O-N 3.38Å; G310-S312 VanDerWaalsContact C-N 3.26Å; G310-S312 PolarHBondContact O-N 2.62Å
311	L	54.5	Low	75.4	Confident	105 Å²	105	66.7 Å²	66.7	55%	0.55	40%	0.402	S	S	.	.			trans	-79.7	73.1	-178	-79.8	163.1	0	0	0	109	T306 A309 S313 G314	T306-L311 WeakPolarHBondContact CG2-O 3.46Å; T306-L311 PolarHBondContact O-N 2.85Å; A309-L311 HydrophobicContact CB-CB 4.33Å; A309-L311 HydrophobicContact CB-CD1 3.6Å; A309-L311 HydrophobicContact CB-CG 3.91Å; A309-L311 PolarHBondContact O-N 3.43Å; A309-L311 VanDerWaalsContact O-N 3.08Å; L311-S313 PolarHBondContact O-N 3.09Å; L311-G314 PolarHBondContact O-N 3.01Å
312	S	45.6	Very low	75.7	Confident	126 Å²	126	65.6 Å²	65.6	88%	0.881	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	14	179	62.3	0	0	0	0	115.4	G310	G310-S312 VanDerWaalsContact C-N 3.26Å; G310-S312 PolarHBondContact O-N 2.62Å
313	S	49.9	Very low	76	Confident	111 Å²	111	64.7 Å²	64.7	78%	0.776	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.5	20.9	-175.5	-159.7	0	0	0	0	113.5	L311 K315	L311-S313 PolarHBondContact O-N 3.09Å; S313-K315 PolarHBondContact O-N 2.85Å; S313-K315 VanDerWaalsContact O-N 3.11Å
314	G	55.5	Low	76.3	Confident	51 Å²	51	62.2 Å²	62.2	53%	0.526	38%	0.376	S	S	.	.			trans	-62.4	112.6	-173.8	0	0	0	0	0	113.2	L311 D316	L311-G314 PolarHBondContact O-N 3.01Å; G314-D316 PolarHBondContact O-N 3.08Å
315	K	66.7	Low	76.9	Confident	127 Å²	127	57.6 Å²	57.6	55%	0.552	36%	0.355	S	S	*	.			trans	-49.3	131.1	163.6	-73	-179.2	177	179.9	0	109.1	S313 Y317	S313-K315 PolarHBondContact O-N 2.85Å; S313-K315 VanDerWaalsContact O-N 3.11Å; K315-Y317 HydrophobicContact CB-CE1 4.11Å; K315-Y317 HydrophobicContact CB-CE2 3.91Å; K315-Y317 HydrophobicContact CD-CE1 4.45Å; K315-Y317 WeakPolarHBondContact O-CD2 3.37Å; K315-Y317 WeakPolarHBondContact O-CE2 3.41Å; K315-Y317 PolarHBondContact O-N 3.29Å; K315-Y317 VanDerWaalsContact O-N 3.09Å
316	D	80.8	Confident	77.5	Confident	67 Å²	67	54.7 Å²	54.7	36%	0.358	34%	0.34	S	S	.	.			trans	-68.7	106.4	174.2	-173.7	-5.9	0	0	0	109.4	R283 G314 V318	R283-D316 IonicContact CZ-OD2 3.72Å; R283-D316 IonicContact NE-OD2 3.5Å; R283-D316 PolarHBondContact NE-OD2 3.1Å; R283-D316 IonicContact NH2-OD1 3.24Å; R283-D316 PolarHBondContact NH2-OD1 2.81Å; R283-D316 VanDerWaalsContact NH2-OD1 3.12Å; R283-D316 IonicContact NH2-OD2 2.82Å; R283-D316 PolarHBondContact NH2-OD2 2.95Å; G314-D316 PolarHBondContact O-N 3.08Å; D316-V318 VanDerWaalsContact OD1-CB 3.29Å; D316-V318 WeakPolarHBondContact OD1-CB 3.45Å; D316-V318 WeakPolarHBondContact OD1-CG2 3.5Å; D316-V318 PolarHBondContact OD1-N 3.17Å
317	Y	86.8	Confident	78	Confident	35 Å²	35	53.6 Å²	53.6	14%	0.137	34%	0.339	C	S	.	.			trans	-93.5	0.4	178.4	-66	-67.9	0	0	0	113.2	S143 H147 K315 P320 T321	S143-Y317 WeakPolarHBondContact CB-OH 3.45Å; H147-Y317 HydrophobicContact CB-CG 4.46Å; H147-Y317 AromaticContact CE1-CD1 3.72Å; H147-Y317 AromaticContact CG-CG 4Å; H147-Y317 AromaticContact ND1-CD1 3.58Å; H147-Y317 AromaticContact ND1-CG 4Å; K315-Y317 HydrophobicContact CB-CE1 4.11Å; K315-Y317 HydrophobicContact CB-CE2 3.91Å; K315-Y317 HydrophobicContact CD-CE1 4.45Å; K315-Y317 WeakPolarHBondContact O-CD2 3.37Å; K315-Y317 WeakPolarHBondContact O-CE2 3.41Å; K315-Y317 PolarHBondContact O-N 3.29Å; K315-Y317 VanDerWaalsContact O-N 3.09Å; Y317-P320 HydrophobicContact CD1-CG 4.45Å; Y317-P320 WeakPolarHBondContact O-CD 3.34Å; Y317-P320 WeakPolarHBondContact O-CG 3.34Å; Y317-T321 VanDerWaalsContact O-CB 3.3Å; Y317-T321 WeakPolarHBondContact O-CB 3.28Å; Y317-T321 PolarHBondContact O-N 3.31Å; Y317-T321 PolarHBondContact O-OG1 3.43Å
318	V	92.1	Very high	78.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-56	-175.5	-177.3	0	0	0	0	110.2	V279 T295 F298 I299 L302 D316 T321 M322	V279-V318 HydrophobicContact CB-CG1 4.44Å; V279-V318 HydrophobicContact CG1-CB 4.07Å; V279-V318 HydrophobicContact CG1-CG1 3.67Å; V279-V318 HydrophobicContact CG2-CG1 3.84Å; T295-V318 HydrophobicContact CG2-CG1 4.17Å; F298-V318 HydrophobicContact CD1-CB 4.21Å; F298-V318 HydrophobicContact CD1-CG1 4.31Å; F298-V318 HydrophobicContact CD1-CG2 3.86Å; F298-V318 HydrophobicContact CE1-CG2 4.21Å; I299-V318 HydrophobicContact CD1-CG1 4.39Å; I299-V318 HydrophobicContact CG1-CB 4.47Å; I299-V318 HydrophobicContact CG1-CG1 3.83Å; I299-V318 HydrophobicContact CG1-CG2 3.8Å; L302-V318 HydrophobicContact CD2-CG2 3.85Å; D316-V318 VanDerWaalsContact OD1-CB 3.29Å; D316-V318 WeakPolarHBondContact OD1-CB 3.45Å; D316-V318 WeakPolarHBondContact OD1-CG2 3.5Å; D316-V318 PolarHBondContact OD1-N 3.17Å; V318-T321 PolarHBondContact O-N 3.31Å; V318-T321 VanDerWaalsContact O-N 3.17Å; V318-M322 HydrophobicContact CG1-CG 4.29Å; V318-M322 WeakPolarHBondContact O-CG 3.25Å; V318-M322 PolarHBondContact O-N 2.78Å
319	T	93.6	Very high	79.7	Confident	32 Å²	32	43.5 Å²	43.5	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-54.7	-55.1	179.7	-56	0	0	0	0	113.1	I275 R276 T321 M322 G323	I275-T319 HydrophobicContact CG2-CG2 4.05Å; I275-T319 WeakPolarHBondContact CG2-O 3.38Å; R276-T319 HydrophobicContact CB-CG2 3.88Å; R276-T319 HydrophobicContact CG-CG2 4.48Å; T319-T321 VanDerWaalsContact C-N 3.27Å; T319-T321 PolarHBondContact O-N 3.19Å; T319-M322 PolarHBondContact O-N 3.42Å; T319-G323 PolarHBondContact O-N 2.86Å
320	P	93.1	Very high	80.7	Confident	7 Å²	7	41.2 Å²	41.2	5%	0.045	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-30	179.3	24.4	-34.4	0	0	0	113.1	Q133 Y317 D324	Q133-P320 HydrophobicContact CB-CB 3.96Å; Q133-P320 HydrophobicContact CB-CG 4.05Å; Q133-P320 WeakPolarHBondContact O-CB 3.39Å; Y317-P320 HydrophobicContact CD1-CG 4.45Å; Y317-P320 WeakPolarHBondContact O-CD 3.34Å; Y317-P320 WeakPolarHBondContact O-CG 3.34Å; P320-D324 PolarHBondContact O-N 3.45Å
321	T	93.9	Very high	82.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68	-50	175.2	-51.9	0	0	0	0	111.8	H147 A151 F298 Y317 V318 T319 G323 D324 I325	H147-T321 PolarHBondContact CD2-OG1 3.43Å; H147-T321 PolarHBondContact NE2-OG1 2.68Å; A151-T321 HydrophobicContact CB-CG2 3.61Å; F298-T321 HydrophobicContact CD2-CG2 4.09Å; F298-T321 HydrophobicContact CE2-CG2 3.65Å; F298-T321 HydrophobicContact CZ-CG2 3.91Å; F298-T321 VanDerWaalsContact CZ-OG1 3.22Å; F298-T321 WeakPolarHBondContact CZ-OG1 3.21Å; Y317-T321 VanDerWaalsContact O-CB 3.3Å; Y317-T321 WeakPolarHBondContact O-CB 3.28Å; Y317-T321 PolarHBondContact O-N 3.31Å; Y317-T321 PolarHBondContact O-OG1 3.43Å; V318-T321 PolarHBondContact O-N 3.31Å; V318-T321 VanDerWaalsContact O-N 3.17Å; T319-T321 VanDerWaalsContact C-N 3.27Å; T319-T321 PolarHBondContact O-N 3.19Å; T321-G323 VanDerWaalsContact C-N 3.25Å; T321-G323 PolarHBondContact O-N 3.43Å; T321-D324 PolarHBondContact O-N 2.91Å; T321-I325 HydrophobicContact CG2-CD1 3.77Å; T321-I325 HydrophobicContact CG2-CG1 4.37Å; T321-I325 WeakPolarHBondContact O-CG1 3.41Å; T321-I325 PolarHBondContact O-N 2.7Å
322	M	94.6	Very high	84.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-35.8	-179.9	-68.1	-55.3	108.8	0	0	110.9	F213 I275 V279 M294 T295 F298 V318 T319 I325 F326	F213-M322 HydrophobicContact CE1-CB 4.08Å; F213-M322 HydrophobicContact CE1-CG 4.47Å; F213-M322 HydrophobicContact CZ-CB 4.49Å; I275-M322 HydrophobicContact CG2-CB 3.89Å; V279-M322 HydrophobicContact CG2-CG 4.45Å; M294-M322 HydrophobicContact CG-CE 4.43Å; T295-M322 PolarHBondContact OG1-SD 3.47Å; F298-M322 HydrophobicContact CB-CE 3.89Å; F298-M322 HydrophobicContact CD2-CE 4.26Å; F298-M322 HydrophobicContact CG-CE 4.02Å; V318-M322 HydrophobicContact CG1-CG 4.29Å; V318-M322 WeakPolarHBondContact O-CG 3.25Å; V318-M322 PolarHBondContact O-N 2.78Å; T319-M322 PolarHBondContact O-N 3.42Å; M322-I325 HydrophobicContact CE-CD1 3.84Å; M322-I325 PolarHBondContact O-N 3.03Å; M322-F326 WeakPolarHBondContact O-CB 3.29Å; M322-F326 PolarHBondContact O-N 2.91Å
323	G	93.3	Very high	86.6	Confident	4 Å²	4	29.8 Å²	29.8	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-46.9	172.8	0	0	0	0	0	112.5	F271 T319 T321 G327	F271-G323 WeakPolarHBondContact CE1-O 3.5Å; T319-G323 PolarHBondContact O-N 2.86Å; T321-G323 VanDerWaalsContact C-N 3.25Å; T321-G323 PolarHBondContact O-N 3.43Å; G323-G327 WeakPolarHBondContact O-CA 3.42Å; G323-G327 PolarHBondContact O-N 2.94Å
324	D	93.8	Very high	88.7	Confident	13 Å²	13	24.5 Å²	24.5	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-44.9	176.9	-80.5	4	0	0	0	112.6	S130 S134 M135 A136 P320 T321 A328	S130-D324 PolarHBondContact OG-OD1 3.38Å; S134-D324 WeakPolarHBondContact CB-OD1 3.28Å; S134-D324 PolarHBondContact OG-OD1 3.29Å; S134-D324 PolarHBondContact OG-OD2 3.15Å; M135-D324 WeakPolarHBondContact CA-OD2 3.1Å; M135-D324 WeakPolarHBondContact CB-OD2 3.3Å; M135-D324 HydrophobicContact CE-CB 4.47Å; M135-D324 PolarHBondContact N-OD2 2.96Å; A136-D324 PolarHBondContact N-OD2 3.29Å; P320-D324 PolarHBondContact O-N 3.45Å; T321-D324 PolarHBondContact O-N 2.91Å; D324-A328 WeakPolarHBondContact O-CB 3.18Å; D324-A328 PolarHBondContact O-N 3.35Å
325	I	95.1	Very high	90.6	Very high	17 Å²	17	22 Å²	22	9%	0.087	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-52.7	-179.2	-69.5	172.3	0	0	0	110.1	V155 M208 M294 T321 M322 S329 I469	V155-I325 HydrophobicContact CG2-CD1 3.66Å; V155-I325 HydrophobicContact CG2-CG1 4.27Å; M208-I325 HydrophobicContact CE-CG2 4.32Å; M294-I325 HydrophobicContact SD-CD1 3.83Å; M294-I325 HydrophobicContact SD-CG2 4.02Å; T321-I325 HydrophobicContact CG2-CD1 3.77Å; T321-I325 HydrophobicContact CG2-CG1 4.37Å; T321-I325 WeakPolarHBondContact O-CG1 3.41Å; T321-I325 PolarHBondContact O-N 2.7Å; M322-I325 HydrophobicContact CE-CD1 3.84Å; M322-I325 PolarHBondContact O-N 3.03Å; I325-S329 VanDerWaalsContact O-CB 3.31Å; I325-S329 WeakPolarHBondContact O-CB 3.42Å; I325-S329 PolarHBondContact O-N 3.28Å; I325-S329 PolarHBondContact O-OG 2.89Å; I325-I469 HydrophobicContact CG1-CD1 4.44Å
326	F	93.2	Very high	92.1	Very high	2 Å²	2	16 Å²	16	1%	0.009	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-48.1	-178.9	-174.2	-107.6	0	0	0	110.4	M208 F213 F224 V227 F271 F274 I275 M322 S329 Q330	M208-F326 HydrophobicContact CB-CD2 4.07Å; M208-F326 HydrophobicContact CB-CE2 4.18Å; F213-F326 HydrophobicContact CE2-CB 4.28Å; F213-F326 HydrophobicContact CE2-CD1 4.31Å; F213-F326 AromaticContact CE2-CD2 3.72Å; F213-F326 HydrophobicContact CE2-CD2 3.72Å; F213-F326 HydrophobicContact CE2-CE2 4.11Å; F213-F326 AromaticContact CE2-CG 3.85Å; F213-F326 HydrophobicContact CE2-CG 3.85Å; F213-F326 HydrophobicContact CZ-CB 4.15Å; F213-F326 HydrophobicContact CZ-CD2 4.42Å; F213-F326 HydrophobicContact CZ-CG 4.19Å; F224-F326 HydrophobicContact CE2-CZ 4.34Å; V227-F326 HydrophobicContact CG1-CE1 4.21Å; F271-F326 AromaticContact CE2-CD1 3.69Å; F271-F326 HydrophobicContact CE2-CD1 3.69Å; F271-F326 HydrophobicContact CE2-CE1 4.11Å; F271-F326 AromaticContact CZ-CD1 3.86Å; F271-F326 HydrophobicContact CZ-CD1 3.86Å; F274-F326 HydrophobicContact CE1-CE1 4.12Å; I275-F326 HydrophobicContact CD1-CB 4.2Å; I275-F326 HydrophobicContact CD1-CD1 3.99Å; I275-F326 HydrophobicContact CD1-CG 4.37Å; M322-F326 WeakPolarHBondContact O-CB 3.29Å; M322-F326 PolarHBondContact O-N 2.91Å; F326-S329 PolarHBondContact O-N 3.17Å; F326-S329 PolarHBondContact O-OG 3.47Å; F326-Q330 HydrophobicContact CE1-CG 4.4Å; F326-Q330 VanDerWaalsContact CE2-NE2 3.26Å; F326-Q330 WeakPolarHBondContact O-CG 3.47Å; F326-Q330 PolarHBondContact O-N 3.32Å; F326-Q330 PolarHBondContact O-NE2 3.22Å
327	G	89.6	Confident	92.9	Very high	26 Å²	26	13 Å²	13	27%	0.268	9%	0.086	S	C	.	.	H	α-helix	trans	-61.4	-48.5	-179.4	0	0	0	0	0	113.8	G323 S329 Q330	G323-G327 WeakPolarHBondContact O-CA 3.42Å; G323-G327 PolarHBondContact O-N 2.94Å; G327-S329 VanDerWaalsContact C-N 3.27Å; G327-S329 PolarHBondContact O-N 3.02Å; G327-Q330 PolarHBondContact O-N 3.13Å
328	A	91.1	Very high	93.5	Very high	61 Å²	61	12.2 Å²	12.2	50%	0.504	8%	0.084	S	C	.	.	H	α-helix	trans	-64	-33.7	179.4	0	0	0	0	0	112.5	D324 Q330 T332	D324-A328 WeakPolarHBondContact O-CB 3.18Å; D324-A328 PolarHBondContact O-N 3.35Å; A328-Q330 VanDerWaalsContact C-N 3.35Å; A328-T332 WeakPolarHBondContact O-CG2 3.18Å; A328-T332 PolarHBondContact O-OG1 3.06Å
329	S	91.8	Very high	93.8	Very high	11 Å²	11	12.4 Å²	12.4	8%	0.077	8%	0.084	C	C	.	.	H	α-helix	trans	-69	-31.1	179.7	73.5	0	0	0	0	113.1	M208 I325 F326 G327 L333	M208-S329 WeakPolarHBondContact CB-OG 3.29Å; M208-S329 VanDerWaalsContact CG-OG 3.28Å; M208-S329 WeakPolarHBondContact CG-OG 3.19Å; I325-S329 VanDerWaalsContact O-CB 3.31Å; I325-S329 WeakPolarHBondContact O-CB 3.42Å; I325-S329 PolarHBondContact O-N 3.28Å; I325-S329 PolarHBondContact O-OG 2.89Å; F326-S329 PolarHBondContact O-N 3.17Å; F326-S329 PolarHBondContact O-OG 3.47Å; G327-S329 VanDerWaalsContact C-N 3.27Å; G327-S329 PolarHBondContact O-N 3.02Å; S329-L333 WeakPolarHBondContact O-CB 3.32Å; S329-L333 PolarHBondContact O-N 3.3Å
330	Q	87.6	Confident	94	Very high	10 Å²	10	10.9 Å²	10.9	5%	0.047	8%	0.075	C	C	.	.	H	α-helix	trans	-62.8	-57.4	-177.7	-62.9	-43.1	-53	0	0	112.3	F326 G327 A328 S334	F326-Q330 HydrophobicContact CE1-CG 4.4Å; F326-Q330 VanDerWaalsContact CE2-NE2 3.26Å; F326-Q330 WeakPolarHBondContact O-CG 3.47Å; F326-Q330 PolarHBondContact O-N 3.32Å; F326-Q330 PolarHBondContact O-NE2 3.22Å; G327-Q330 PolarHBondContact O-N 3.13Å; A328-Q330 VanDerWaalsContact C-N 3.35Å; Q330-S334 VanDerWaalsContact O-CB 3.24Å; Q330-S334 WeakPolarHBondContact O-CB 3.45Å; Q330-S334 PolarHBondContact O-N 3.17Å; Q330-S334 PolarHBondContact O-OG 2.97Å
331	D	85.8	Confident	94.3	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-73.6	-38.4	-170.9	-158.8	50.9	0	0	0	112.4	N231 S334 T335 T508 K510	N231-D331 WeakPolarHBondContact ND2-CA 3.47Å; N231-D331 PolarHBondContact ND2-OD1 2.9Å; N231-D331 WeakPolarHBondContact OD1-CB 3.46Å; N231-D331 PolarHBondContact OD1-OD1 3.12Å; D331-S334 PolarHBondContact O-OG 3.29Å; D331-T335 VanDerWaalsContact O-CB 3.22Å; D331-T335 WeakPolarHBondContact O-CB 3.44Å; D331-T335 PolarHBondContact O-N 2.97Å; D331-T335 PolarHBondContact O-OG1 3.28Å; D331-T508 WeakPolarHBondContact OD2-CB 3.36Å; D331-T508 WeakPolarHBondContact OD2-CG2 3.17Å; D331-T508 PolarHBondContact OD2-OG1 3.46Å; D331-K510 WeakPolarHBondContact OD1-CE 3.14Å; D331-K510 IonicContact OD1-NZ 3.61Å; D331-K510 PolarHBondContact OD1-NZ 2.98Å
332	T	93.7	Very high	94.5	Very high	42 Å²	42	10.7 Å²	10.7	26%	0.258	7%	0.074	S	C	.	.	H	α-helix	trans	-75	-48.4	-173.6	57	0	0	0	0	112.8	A328 A336 V393 T508	A328-T332 WeakPolarHBondContact O-CG2 3.18Å; A328-T332 PolarHBondContact O-OG1 3.06Å; T332-A336 PolarHBondContact O-N 3.23Å; T332-V393 HydrophobicContact CG2-CG2 4.36Å; T332-T508 HydrophobicContact CG2-CG2 4.13Å
333	L	96.1	Very high	94.7	Very high	5 Å²	5	10.7 Å²	10.7	3%	0.026	7%	0.074	C	C	.	.	H	α-helix	trans	-72.4	-40.6	-178	-70.7	169	0	0	0	111.9	T204 M208 S329 T335 A336 L337 Q477 L478	T204-L333 HydrophobicContact CG2-CB 3.38Å; T204-L333 HydrophobicContact CG2-CD1 4.1Å; T204-L333 HydrophobicContact CG2-CG 4.4Å; M208-L333 HydrophobicContact CG-CD1 4.29Å; M208-L333 HydrophobicContact SD-CD1 4.22Å; S329-L333 WeakPolarHBondContact O-CB 3.32Å; S329-L333 PolarHBondContact O-N 3.3Å; L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 3.29Å; L333-A336 PolarHBondContact O-N 3.32Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 3.05Å; L333-Q477 VanDerWaalsContact CD1-OE1 3.3Å; L333-L478 HydrophobicContact CD2-CD1 4.39Å; L333-L478 HydrophobicContact CD2-CD2 4.15Å; L333-L478 HydrophobicContact CD2-CG 4.06Å
334	S	94.4	Very high	95	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.5	-35.5	177	65.6	0	0	0	0	111.9	Q330 D331 Q338	Q330-S334 VanDerWaalsContact O-CB 3.24Å; Q330-S334 WeakPolarHBondContact O-CB 3.45Å; Q330-S334 PolarHBondContact O-N 3.17Å; Q330-S334 PolarHBondContact O-OG 2.97Å; D331-S334 PolarHBondContact O-OG 3.29Å; S334-Q338 WeakPolarHBondContact O-CB 3.33Å; S334-Q338 VanDerWaalsContact O-CG 3.27Å; S334-Q338 WeakPolarHBondContact O-CG 3.4Å; S334-Q338 PolarHBondContact O-N 3.23Å; S334-Q338 PolarHBondContact O-NE2 3.34Å; S334-Q338 VanDerWaalsContact O-NE2 3.15Å
335	T	96	Very high	95.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67.6	-43.1	173.5	-61.4	0	0	0	0	111.5	D331 L333 L337 Q338 W339 F392 T508 L509 K510	D331-T335 VanDerWaalsContact O-CB 3.22Å; D331-T335 WeakPolarHBondContact O-CB 3.44Å; D331-T335 PolarHBondContact O-N 2.97Å; D331-T335 PolarHBondContact O-OG1 3.28Å; L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 3.29Å; T335-L337 PolarHBondContact O-N 3.17Å; T335-Q338 PolarHBondContact O-N 3.02Å; T335-W339 VanDerWaalsContact O-CD1 3.24Å; T335-W339 PolarHBondContact O-N 3.31Å; T335-F392 HydrophobicContact CG2-CB 3.9Å; T335-F392 HydrophobicContact CG2-CD2 4.22Å; T335-F392 HydrophobicContact CG2-CG 4.19Å; T335-T508 PolarHBondContact OG1-OG1 3.26Å; T335-L509 WeakPolarHBondContact CG2-O 3.4Å; T335-K510 HydrophobicContact CG2-CG 4.15Å
336	A	98.3	Very high	95.3	Very high	1 Å²	1	13 Å²	13	1%	0.008	8%	0.083	C	C	.	.	H	α-helix	trans	-60.3	-44.9	175.7	0	0	0	0	0	112	T332 L333 Q338 W339 I340 F392 L478	T332-A336 PolarHBondContact O-N 3.23Å; L333-A336 PolarHBondContact O-N 3.32Å; A336-Q338 PolarHBondContact O-N 3.4Å; A336-W339 PolarHBondContact O-N 2.86Å; A336-I340 VanDerWaalsContact O-CG1 3.29Å; A336-I340 WeakPolarHBondContact O-CG1 3.31Å; A336-I340 PolarHBondContact O-N 3.46Å; A336-F392 HydrophobicContact CB-CE1 3.91Å; A336-F392 HydrophobicContact CB-CE2 4.47Å; A336-F392 HydrophobicContact CB-CZ 3.84Å; A336-L478 HydrophobicContact CB-CD1 3.88Å; A336-L478 HydrophobicContact CB-CD2 3.68Å; A336-L478 HydrophobicContact CB-CG 4.46Å
337	L	98.1	Very high	95.5	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-64	-38.6	176.2	-71.2	-179.5	0	0	0	112.7	L200 L333 T335 W339 I340 I341 L478 F481	L200-L337 HydrophobicContact CD2-CB 4.24Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 3.05Å; T335-L337 PolarHBondContact O-N 3.17Å; L337-W339 VanDerWaalsContact C-N 3.34Å; L337-W339 PolarHBondContact O-N 3.34Å; L337-I340 HydrophobicContact CD2-CD1 4.16Å; L337-I340 PolarHBondContact O-N 3.28Å; L337-I341 PolarHBondContact O-N 3.47Å; L337-L478 HydrophobicContact CD2-CD2 3.87Å; L337-L478 HydrophobicContact CG-CD2 4.09Å; L337-F481 HydrophobicContact CD1-CD1 4.31Å; L337-F481 HydrophobicContact CD1-CE1 4.36Å; L337-F481 HydrophobicContact CD1-CG 4.42Å; L337-F481 HydrophobicContact CD2-CB 3.8Å; L337-F481 HydrophobicContact CD2-CD1 4.2Å; L337-F481 HydrophobicContact CD2-CG 3.96Å
338	Q	97.9	Very high	95.8	Very high	20 Å²	20	17.2 Å²	17.2	9%	0.093	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-40	173.8	-76.9	173.4	75	0	0	112	L200 S334 T335 A336 L342 P511 Y514	L200-Q338 HydrophobicContact CB-CG 4.5Å; L200-Q338 HydrophobicContact CD1-CB 4.41Å; L200-Q338 HydrophobicContact CD1-CG 3.59Å; S334-Q338 WeakPolarHBondContact O-CB 3.33Å; S334-Q338 VanDerWaalsContact O-CG 3.27Å; S334-Q338 WeakPolarHBondContact O-CG 3.4Å; S334-Q338 PolarHBondContact O-N 3.23Å; S334-Q338 PolarHBondContact O-NE2 3.34Å; S334-Q338 VanDerWaalsContact O-NE2 3.15Å; T335-Q338 PolarHBondContact O-N 3.02Å; A336-Q338 PolarHBondContact O-N 3.4Å; Q338-L342 WeakPolarHBondContact O-CB 3.35Å; Q338-L342 PolarHBondContact O-N 2.95Å; Q338-P511 HydrophobicContact CB-CG 3.73Å; Q338-Y514 PolarHBondContact O-OH 3.1Å
339	W	98.8	Very high	96.2	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.011	10%	0.1	C	C	.	.	H	α-helix	trans	-67.4	-43.2	173.8	-80.9	116.2	0	0	0	112.6	T335 A336 L337 I341 L342 I343 V386 T390 L501 L509 P511	T335-W339 VanDerWaalsContact O-CD1 3.24Å; T335-W339 PolarHBondContact O-N 3.31Å; A336-W339 PolarHBondContact O-N 2.86Å; L337-W339 VanDerWaalsContact C-N 3.34Å; L337-W339 PolarHBondContact O-N 3.34Å; W339-I341 PolarHBondContact O-N 3.14Å; W339-L342 HydrophobicContact CE3-CD2 3.93Å; W339-L342 HydrophobicContact CZ3-CD2 3.73Å; W339-L342 PolarHBondContact O-N 3.42Å; W339-I343 WeakPolarHBondContact O-CB 3.41Å; W339-I343 WeakPolarHBondContact O-CD1 3.23Å; W339-I343 WeakPolarHBondContact O-CG1 3.18Å; W339-I343 PolarHBondContact O-N 3.11Å; W339-V386 HydrophobicContact CB-CG1 3.99Å; W339-T390 HydrophobicContact CB-CG2 4.05Å; W339-T390 HydrophobicContact CD2-CG2 3.43Å; W339-T390 VanDerWaalsContact CD2-CG2 3.43Å; W339-T390 HydrophobicContact CE3-CG2 3.6Å; W339-T390 HydrophobicContact CG-CG2 3.65Å; W339-T390 HydrophobicContact CZ3-CG2 4.24Å; W339-L501 WeakPolarHBondContact CH2-O 3.36Å; W339-L501 HydrophobicContact CZ3-CD2 4.31Å; W339-L509 PolarHBondContact NE1-O 3.33Å; W339-P511 HydrophobicContact CD2-CB 4.3Å; W339-P511 HydrophobicContact CD2-CG 4.36Å; W339-P511 HydrophobicContact CE3-CB 4.26Å; W339-P511 HydrophobicContact CH2-CB 4.07Å; W339-P511 HydrophobicContact CZ2-CB 4.13Å; W339-P511 HydrophobicContact CZ3-CB 4.14Å
340	I	98.8	Very high	96.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-54	-54.4	176.2	-73.4	161.5	0	0	0	109.6	A336 L337 L342 I343 L344 F382 L383 V386 L478 L485	A336-I340 VanDerWaalsContact O-CG1 3.29Å; A336-I340 WeakPolarHBondContact O-CG1 3.31Å; A336-I340 PolarHBondContact O-N 3.46Å; L337-I340 HydrophobicContact CD2-CD1 4.16Å; L337-I340 PolarHBondContact O-N 3.28Å; I340-L342 PolarHBondContact O-N 2.66Å; I340-I343 PolarHBondContact O-N 2.83Å; I340-L344 HydrophobicContact CG2-CD1 3.94Å; I340-L344 HydrophobicContact CG2-CG 4.43Å; I340-L344 VanDerWaalsContact O-CG 3.24Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 2.72Å; I340-F382 HydrophobicContact CB-CE1 4.39Å; I340-F382 HydrophobicContact CB-CZ 4.48Å; I340-F382 HydrophobicContact CG1-CE1 4.06Å; I340-F382 HydrophobicContact CG1-CZ 4.47Å; I340-F382 HydrophobicContact CG2-CE1 3.89Å; I340-F382 HydrophobicContact CG2-CZ 4.1Å; I340-L383 HydrophobicContact CD1-CD2 3.64Å; I340-L383 HydrophobicContact CG1-CD2 4.17Å; I340-V386 HydrophobicContact CG1-CG1 4.22Å; I340-V386 HydrophobicContact CG1-CG2 4.29Å; I340-L478 HydrophobicContact CD1-CB 4.43Å; I340-L478 HydrophobicContact CD1-CD2 3.92Å; I340-L485 HydrophobicContact CG2-CD1 4.32Å
341	I	98.6	Very high	97	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-62.3	-45	-178.9	-71.6	169.4	0	0	0	111.5	F184 L200 L337 W339 I343 L344 V345 L485 I491 Y514 I516	F184-I341 HydrophobicContact CE2-CD1 4.26Å; L200-I341 HydrophobicContact CD1-CD1 3.67Å; L200-I341 HydrophobicContact CD2-CD1 3.45Å; L200-I341 VanDerWaalsContact CD2-CD1 3.45Å; L200-I341 HydrophobicContact CG-CD1 4.11Å; L337-I341 PolarHBondContact O-N 3.47Å; W339-I341 PolarHBondContact O-N 3.14Å; I341-I343 VanDerWaalsContact C-N 3.31Å; I341-I343 PolarHBondContact O-N 3.25Å; I341-L344 PolarHBondContact O-N 2.88Å; I341-V345 WeakPolarHBondContact O-CG2 3.31Å; I341-V345 PolarHBondContact O-N 3.04Å; I341-L485 HydrophobicContact CG1-CD1 4.17Å; I341-I491 HydrophobicContact CG1-CD1 4.14Å; I341-I491 HydrophobicContact CG2-CD1 4.35Å; I341-I491 HydrophobicContact CG2-CG2 4.32Å; I341-Y514 WeakPolarHBondContact CB-OH 3.49Å; I341-Y514 HydrophobicContact CG2-CE2 3.77Å; I341-I516 HydrophobicContact CG2-CD1 3.97Å; I341-I516 HydrophobicContact CG2-CG2 4.03Å
342	L	98.6	Very high	97.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-58.3	-44	178.4	178	56.4	0	0	0	111.8	Q338 W339 I340 V345 K346 L499 L501 P511 Y514	Q338-L342 WeakPolarHBondContact O-CB 3.35Å; Q338-L342 PolarHBondContact O-N 2.95Å; W339-L342 HydrophobicContact CE3-CD2 3.93Å; W339-L342 HydrophobicContact CZ3-CD2 3.73Å; W339-L342 PolarHBondContact O-N 3.42Å; I340-L342 PolarHBondContact O-N 2.66Å; L342-V345 HydrophobicContact CD1-CG2 4.34Å; L342-V345 WeakPolarHBondContact O-CG2 3.16Å; L342-V345 PolarHBondContact O-N 2.91Å; L342-K346 WeakPolarHBondContact O-CB 3.28Å; L342-K346 PolarHBondContact O-N 2.81Å; L342-L499 HydrophobicContact CD1-CB 4.44Å; L342-L499 HydrophobicContact CD1-CD1 4.27Å; L342-L499 HydrophobicContact CD1-CD2 4.11Å; L342-L501 HydrophobicContact CD2-CD2 4Å; L342-L501 HydrophobicContact CG-CD2 3.98Å; L342-P511 HydrophobicContact CD2-CB 3.5Å; L342-P511 VanDerWaalsContact CD2-CB 3.5Å; L342-P511 HydrophobicContact CD2-CG 4.44Å; L342-Y514 HydrophobicContact CB-CD1 4.16Å; L342-Y514 HydrophobicContact CB-CE1 3.68Å; L342-Y514 HydrophobicContact CB-CE2 4.46Å; L342-Y514 HydrophobicContact CD1-CD1 3.83Å; L342-Y514 HydrophobicContact CD1-CD2 4.39Å; L342-Y514 HydrophobicContact CD1-CE1 4.25Å; L342-Y514 HydrophobicContact CD1-CG 3.92Å; L342-Y514 HydrophobicContact CD2-CD1 4.21Å; L342-Y514 HydrophobicContact CD2-CE1 4.29Å; L342-Y514 HydrophobicContact CG-CD1 4.29Å; L342-Y514 HydrophobicContact CG-CE1 4.29Å; L342-Y514 PolarHBondContact N-OH 3.46Å
343	I	98.6	Very high	97.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.2	-41.6	179.8	-70.3	166.7	0	0	0	110.2	W339 I340 I341 V345 K346 Y347 F382 V386 T390 F438	W339-I343 WeakPolarHBondContact O-CB 3.41Å; W339-I343 WeakPolarHBondContact O-CD1 3.23Å; W339-I343 WeakPolarHBondContact O-CG1 3.18Å; W339-I343 PolarHBondContact O-N 3.11Å; I340-I343 PolarHBondContact O-N 2.83Å; I341-I343 VanDerWaalsContact C-N 3.31Å; I341-I343 PolarHBondContact O-N 3.25Å; I343-V345 VanDerWaalsContact C-N 3.3Å; I343-V345 PolarHBondContact O-N 3.49Å; I343-K346 PolarHBondContact O-N 3.27Å; I343-Y347 HydrophobicContact CG2-CD2 3.85Å; I343-Y347 HydrophobicContact CG2-CE2 4.41Å; I343-Y347 WeakPolarHBondContact O-CD2 3.5Å; I343-Y347 PolarHBondContact O-N 3.2Å; I343-F382 HydrophobicContact CB-CE2 4.43Å; I343-F382 HydrophobicContact CG2-CE2 3.63Å; I343-F382 HydrophobicContact CG2-CZ 4.24Å; I343-V386 HydrophobicContact CD1-CB 4.37Å; I343-V386 HydrophobicContact CD1-CG1 4.19Å; I343-V386 HydrophobicContact CD1-CG2 3.76Å; I343-T390 HydrophobicContact CD1-CG2 4.08Å; I343-F438 HydrophobicContact CD1-CD2 4.09Å; I343-F438 HydrophobicContact CD1-CE2 3.68Å; I343-F438 HydrophobicContact CD1-CZ 4.16Å; I343-F438 HydrophobicContact CG2-CD1 3.87Å; I343-F438 HydrophobicContact CG2-CD2 4.4Å; I343-F438 HydrophobicContact CG2-CE1 3.36Å; I343-F438 HydrophobicContact CG2-CE2 3.98Å; I343-F438 HydrophobicContact CG2-CG 4.37Å; I343-F438 HydrophobicContact CG2-CZ 3.45Å; I343-F438 VanDerWaalsContact CG2-CZ 3.45Å
344	L	98.5	Very high	98	Very high	5 Å²	5	24 Å²	24	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-34.6	177	-67.7	176.2	0	0	0	113.2	I340 I341 Q351 L354 F382 L485 I491	I340-L344 HydrophobicContact CG2-CD1 3.94Å; I340-L344 HydrophobicContact CG2-CG 4.43Å; I340-L344 VanDerWaalsContact O-CG 3.24Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 2.72Å; I341-L344 PolarHBondContact O-N 2.88Å; L344-Q351 HydrophobicContact CB-CB 4.39Å; L344-Q351 HydrophobicContact CB-CG 4.28Å; L344-Q351 HydrophobicContact CD2-CB 4.03Å; L344-Q351 HydrophobicContact CD2-CG 4.13Å; L344-Q351 PolarHBondContact O-NE2 3.46Å; L344-L354 HydrophobicContact CD2-CD1 3.42Å; L344-L354 VanDerWaalsContact CD2-CD1 3.42Å; L344-F382 HydrophobicContact CD2-CE2 4.02Å; L344-F382 HydrophobicContact CD2-CZ 3.83Å; L344-F382 HydrophobicContact CG-CZ 4.06Å; L344-L485 HydrophobicContact CD1-CD1 4.39Å; L344-I491 HydrophobicContact CD1-CD1 4.29Å
345	V	97.7	Very high	98.2	Very high	10 Å²	10	24.6 Å²	24.6	6%	0.061	12%	0.119	C	C	.	.	H	α-helix	trans	-83.1	-26.6	175.5	-62.2	0	0	0	0	113.1	I341 L342 I343 I491 L499 I516	I341-V345 WeakPolarHBondContact O-CG2 3.31Å; I341-V345 PolarHBondContact O-N 3.04Å; L342-V345 HydrophobicContact CD1-CG2 4.34Å; L342-V345 WeakPolarHBondContact O-CG2 3.16Å; L342-V345 PolarHBondContact O-N 2.91Å; I343-V345 VanDerWaalsContact C-N 3.3Å; I343-V345 PolarHBondContact O-N 3.49Å; V345-I491 HydrophobicContact CG1-CB 3.88Å; V345-I491 HydrophobicContact CG1-CG2 3.32Å; V345-L499 HydrophobicContact CB-CD1 4.18Å; V345-L499 HydrophobicContact CG2-CD1 3.53Å; V345-I516 HydrophobicContact CG1-CG2 4.03Å
346	K	97.4	Very high	98.3	Very high	69 Å²	69	30 Å²	30	30%	0.3	15%	0.148	S	C	.	.	H	α-helix	trans	-74.3	-34.3	176.2	-176.3	66.6	177.9	-176.6	0	112.2	L342 I343 P348 L499 L501	L342-K346 WeakPolarHBondContact O-CB 3.28Å; L342-K346 PolarHBondContact O-N 2.81Å; I343-K346 PolarHBondContact O-N 3.27Å; K346-P348 WeakPolarHBondContact O-CD 3.2Å; K346-L499 HydrophobicContact CB-CD1 4.33Å; K346-L499 HydrophobicContact CD-CB 3.92Å; K346-L499 HydrophobicContact CD-CD1 4.39Å; K346-L499 PolarHBondContact NZ-O 2.85Å; K346-L501 HydrophobicContact CB-CD2 4.46Å; K346-L501 HydrophobicContact CG-CD1 4.42Å; K346-L501 HydrophobicContact CG-CD2 4.19Å; K346-L501 HydrophobicContact CG-CG 4.44Å
347	Y	97.4	Very high	98.3	Very high	54 Å²	54	31.1 Å²	31.1	21%	0.212	15%	0.152	C	C	.	.			trans	-124.9	76	-176.6	-58.3	-70.9	0	0	0	110.7	I343 E349 I350 Q351 F438 L501	I343-Y347 HydrophobicContact CG2-CD2 3.85Å; I343-Y347 HydrophobicContact CG2-CE2 4.41Å; I343-Y347 WeakPolarHBondContact O-CD2 3.5Å; I343-Y347 PolarHBondContact O-N 3.2Å; Y347-E349 VanDerWaalsContact C-OE2 3.25Å; Y347-E349 WeakPolarHBondContact CA-OE2 3.48Å; Y347-E349 WeakPolarHBondContact CB-OE1 3.49Å; Y347-E349 WeakPolarHBondContact CD1-OE1 3.39Å; Y347-E349 PolarHBondContact O-N 3.49Å; Y347-E349 VanDerWaalsContact O-N 3.17Å; Y347-I350 HydrophobicContact CD2-CD1 4.38Å; Y347-I350 HydrophobicContact CG-CD1 4.03Å; Y347-I350 WeakPolarHBondContact O-CB 3.2Å; Y347-I350 PolarHBondContact O-N 2.95Å; Y347-Q351 PolarHBondContact O-N 3.26Å; Y347-F438 HydrophobicContact CD2-CD1 4.13Å; Y347-F438 HydrophobicContact CE2-CB 4.04Å; Y347-F438 HydrophobicContact CE2-CD1 4.14Å; Y347-F438 HydrophobicContact CE2-CG 4.22Å; Y347-L501 HydrophobicContact CE2-CD1 4.17Å; Y347-L501 WeakPolarHBondContact OH-CD1 3.33Å
348	P	97	Very high	98.3	Very high	62 Å²	62	31 Å²	31	40%	0.403	15%	0.152	S	C	.	.	H	α-helix	trans	-57	-30.6	-177.3	-24.9	35	0	0	0	114	K346 I350 Q351 T352	K346-P348 WeakPolarHBondContact O-CD 3.2Å; P348-I350 VanDerWaalsContact C-N 3.33Å; P348-I350 PolarHBondContact O-N 3.47Å; P348-Q351 WeakPolarHBondContact O-CB 3.21Å; P348-Q351 PolarHBondContact O-N 3.41Å; P348-T352 PolarHBondContact O-N 3.05Å; P348-T352 PolarHBondContact O-OG1 2.95Å
349	E	98.3	Very high	98.3	Very high	115 Å²	115	32 Å²	32	54%	0.537	16%	0.158	S	C	.	.	H	α-helix	trans	-63.1	-37.1	176.2	69.8	-70.9	172.3	0	0	112.7	Y347 T352 R353	Y347-E349 VanDerWaalsContact C-OE2 3.25Å; Y347-E349 WeakPolarHBondContact CA-OE2 3.48Å; Y347-E349 WeakPolarHBondContact CB-OE1 3.49Å; Y347-E349 WeakPolarHBondContact CD1-OE1 3.39Å; Y347-E349 PolarHBondContact O-N 3.49Å; Y347-E349 VanDerWaalsContact O-N 3.17Å; E349-T352 PolarHBondContact O-N 3.24Å; E349-R353 WeakPolarHBondContact O-CB 3.37Å; E349-R353 PolarHBondContact O-N 3.28Å
350	I	98.6	Very high	98.2	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-41.8	175.3	-62.9	-178.2	0	0	0	109.5	Y347 P348 T352 R353 L354 Y378 F382 F438 P440	Y347-I350 HydrophobicContact CD2-CD1 4.38Å; Y347-I350 HydrophobicContact CG-CD1 4.03Å; Y347-I350 WeakPolarHBondContact O-CB 3.2Å; Y347-I350 PolarHBondContact O-N 2.95Å; P348-I350 VanDerWaalsContact C-N 3.33Å; P348-I350 PolarHBondContact O-N 3.47Å; I350-T352 PolarHBondContact O-N 3.4Å; I350-R353 PolarHBondContact O-N 3.41Å; I350-L354 HydrophobicContact CG2-CD1 4.18Å; I350-L354 WeakPolarHBondContact O-CG 3.42Å; I350-L354 PolarHBondContact O-N 3.37Å; I350-Y378 HydrophobicContact CG2-CE1 4.41Å; I350-F382 HydrophobicContact CG2-CD2 3.7Å; I350-F382 HydrophobicContact CG2-CE2 4.01Å; I350-F438 HydrophobicContact CD1-CD1 3.59Å; I350-F438 HydrophobicContact CD1-CE1 3.56Å; I350-P440 HydrophobicContact CD1-CG 4.1Å; I350-P440 HydrophobicContact CG2-CG 4.28Å
351	Q	98.6	Very high	98.2	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-46.3	175.3	-167.1	-174.4	156.2	0	0	111.4	L344 Y347 P348 R353 L354 Q355 I491	L344-Q351 HydrophobicContact CB-CB 4.39Å; L344-Q351 HydrophobicContact CB-CG 4.28Å; L344-Q351 HydrophobicContact CD2-CB 4.03Å; L344-Q351 HydrophobicContact CD2-CG 4.13Å; L344-Q351 PolarHBondContact O-NE2 3.46Å; Y347-Q351 PolarHBondContact O-N 3.26Å; P348-Q351 WeakPolarHBondContact O-CB 3.21Å; P348-Q351 PolarHBondContact O-N 3.41Å; Q351-R353 VanDerWaalsContact C-N 3.31Å; Q351-R353 PolarHBondContact O-N 2.98Å; Q351-L354 PolarHBondContact O-N 3.21Å; Q351-Q355 WeakPolarHBondContact O-CB 3.32Å; Q351-Q355 WeakPolarHBondContact O-CG 3.42Å; Q351-Q355 PolarHBondContact O-N 2.94Å; Q351-I491 PolarHBondContact NE2-O 3.04Å; Q351-I491 PolarHBondContact OE1-O 3.25Å
352	T	98.6	Very high	98	Very high	58 Å²	58	42.1 Å²	42.1	36%	0.356	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-38.2	175.6	-64.2	0	0	0	0	112.1	P348 E349 I350 Q355 L356	P348-T352 PolarHBondContact O-N 3.05Å; P348-T352 PolarHBondContact O-OG1 2.95Å; E349-T352 PolarHBondContact O-N 3.24Å; I350-T352 PolarHBondContact O-N 3.4Å; T352-Q355 WeakPolarHBondContact O-CB 3.5Å; T352-Q355 PolarHBondContact O-N 2.92Å; T352-L356 HydrophobicContact CG2-CD1 4.24Å; T352-L356 VanDerWaalsContact O-CG 3.32Å; T352-L356 WeakPolarHBondContact O-CG 3.49Å; T352-L356 PolarHBondContact O-N 3.45Å
353	R	98.4	Very high	97.6	Very high	82 Å²	82	46 Å²	46	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-69.4	-40.1	178.2	-175.8	169.9	165.3	-175.4	3.2	113.5	E349 I350 Q351 Q355 L356 E357 Y378 E441	E349-R353 WeakPolarHBondContact O-CB 3.37Å; E349-R353 PolarHBondContact O-N 3.28Å; I350-R353 PolarHBondContact O-N 3.41Å; Q351-R353 VanDerWaalsContact C-N 3.31Å; Q351-R353 PolarHBondContact O-N 2.98Å; R353-Q355 VanDerWaalsContact C-N 3.29Å; R353-Q355 PolarHBondContact O-N 2.72Å; R353-L356 PolarHBondContact O-N 3.01Å; R353-E357 PolarHBondContact O-N 3.2Å; R353-Y378 HydrophobicContact CB-CD1 4.35Å; R353-Y378 HydrophobicContact CB-CE1 3.7Å; R353-Y378 HydrophobicContact CG-CD1 3.73Å; R353-Y378 HydrophobicContact CG-CE1 3.43Å; R353-Y378 VanDerWaalsContact CG-CE1 3.43Å; R353-Y378 HydrophobicContact CG-CE2 4.49Å; R353-Y378 HydrophobicContact CG-CG 4.39Å; R353-Y378 VanDerWaalsContact CZ-CD2 3.46Å; R353-E441 VanDerWaalsContact CZ-CD 3.46Å; R353-E441 IonicContact CZ-OE1 2.78Å; R353-E441 IonicContact CZ-OE2 3.14Å; R353-E441 IonicContact NH1-OE1 3.96Å; R353-E441 PolarHBondContact NH1-OE1 3.36Å; R353-E441 IonicContact NH1-OE2 2.59Å; R353-E441 PolarHBondContact NH1-OE2 3.4Å; R353-E441 IonicContact NH2-OE1 3.62Å; R353-E441 PolarHBondContact NH2-OE1 3.05Å; R353-E441 IonicContact NH2-OE2 2.91Å; R353-E441 PolarHBondContact NH2-OE2 3.24Å
354	L	98.7	Very high	97.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-43.7	172.3	-70.5	165	0	0	0	110.9	L344 I350 Q351 L356 E357 V358 Y378 V379 F382 A486	L344-L354 HydrophobicContact CD2-CD1 3.42Å; L344-L354 VanDerWaalsContact CD2-CD1 3.42Å; I350-L354 HydrophobicContact CG2-CD1 4.18Å; I350-L354 WeakPolarHBondContact O-CG 3.42Å; I350-L354 PolarHBondContact O-N 3.37Å; Q351-L354 PolarHBondContact O-N 3.21Å; L354-L356 PolarHBondContact O-N 2.97Å; L354-E357 PolarHBondContact O-N 3.46Å; L354-V358 WeakPolarHBondContact O-CB 3.2Å; L354-V358 VanDerWaalsContact O-CG2 3.32Å; L354-V358 WeakPolarHBondContact O-CG2 3.44Å; L354-V358 PolarHBondContact O-N 3.43Å; L354-Y378 HydrophobicContact CD2-CD1 3.66Å; L354-Y378 HydrophobicContact CD2-CE1 4.03Å; L354-Y378 HydrophobicContact CG-CD1 4.03Å; L354-Y378 HydrophobicContact CG-CE1 3.97Å; L354-V379 HydrophobicContact CD2-CB 4.18Å; L354-V379 HydrophobicContact CD2-CG2 3.76Å; L354-F382 HydrophobicContact CD1-CD1 4.16Å; L354-F382 HydrophobicContact CD1-CD2 4.07Å; L354-F382 HydrophobicContact CD1-CE1 4.38Å; L354-F382 HydrophobicContact CD1-CE2 4.29Å; L354-F382 HydrophobicContact CD1-CG 4Å; L354-F382 HydrophobicContact CD1-CZ 4.45Å; L354-F382 HydrophobicContact CD2-CB 3.98Å; L354-F382 HydrophobicContact CD2-CG 4.28Å; L354-A486 HydrophobicContact CB-CB 4.01Å
355	Q	98.6	Very high	97	Very high	13 Å²	13	52.5 Å²	52.5	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-56.3	-49.1	175	-74.9	169.9	-10.4	0	0	111.5	Q351 T352 R353 E357 V358 D359 A486 C489 R521	Q351-Q355 WeakPolarHBondContact O-CB 3.32Å; Q351-Q355 WeakPolarHBondContact O-CG 3.42Å; Q351-Q355 PolarHBondContact O-N 2.94Å; T352-Q355 WeakPolarHBondContact O-CB 3.5Å; T352-Q355 PolarHBondContact O-N 2.92Å; R353-Q355 VanDerWaalsContact C-N 3.29Å; R353-Q355 PolarHBondContact O-N 2.72Å; Q355-E357 PolarHBondContact O-N 3.49Å; Q355-V358 PolarHBondContact O-N 3.15Å; Q355-D359 WeakPolarHBondContact O-CB 3.45Å; Q355-D359 PolarHBondContact O-N 3.05Å; Q355-D359 VanDerWaalsContact O-OD1 3.06Å; Q355-A486 HydrophobicContact CG-CB 4.36Å; Q355-A486 VanDerWaalsContact CG-O 3.26Å; Q355-A486 WeakPolarHBondContact CG-O 3.43Å; Q355-C489 PolarHBondContact NE2-O 3.18Å; Q355-C489 VanDerWaalsContact NE2-O 3.15Å; Q355-R521 VanDerWaalsContact CB-NH1 3.33Å
356	L	98.3	Very high	96.9	Very high	114 Å²	114	56.7 Å²	56.7	60%	0.597	27%	0.273	S	S	*	.	H	α-helix	trans	-63.2	-40	179.3	-70.7	170.5	0	0	0	113.1	T352 R353 L354 R360	T352-L356 HydrophobicContact CG2-CD1 4.24Å; T352-L356 VanDerWaalsContact O-CG 3.32Å; T352-L356 WeakPolarHBondContact O-CG 3.49Å; T352-L356 PolarHBondContact O-N 3.45Å; R353-L356 PolarHBondContact O-N 3.01Å; L354-L356 PolarHBondContact O-N 2.97Å; L356-R360 WeakPolarHBondContact O-CB 3.39Å; L356-R360 PolarHBondContact O-N 3.43Å; L356-R360 VanDerWaalsContact O-N 3.16Å
357	E	98.4	Very high	96.8	Very high	23 Å²	23	54.7 Å²	54.7	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-47.3	177	-174.3	-176.3	-119.1	0	0	111.4	R353 L354 Q355 R360 V361 L376 P377 Y378 V379	R353-E357 PolarHBondContact O-N 3.2Å; L354-E357 PolarHBondContact O-N 3.46Å; Q355-E357 PolarHBondContact O-N 3.49Å; E357-R360 WeakPolarHBondContact O-CB 3.39Å; E357-R360 PolarHBondContact O-N 3.48Å; E357-V361 PolarHBondContact O-N 3.02Å; E357-L376 HydrophobicContact CG-CD2 3.81Å; E357-P377 WeakPolarHBondContact OE1-CD 3.32Å; E357-P377 WeakPolarHBondContact OE1-CG 3.5Å; E357-Y378 VanDerWaalsContact CD-CB 3.41Å; E357-Y378 WeakPolarHBondContact OE1-CB 3.22Å; E357-Y378 PolarHBondContact OE1-N 3.48Å; E357-Y378 WeakPolarHBondContact OE2-CA 3.38Å; E357-Y378 VanDerWaalsContact OE2-CB 3.32Å; E357-Y378 WeakPolarHBondContact OE2-CB 3.24Å; E357-Y378 PolarHBondContact OE2-N 3.4Å; E357-V379 WeakPolarHBondContact OE2-CG2 3.48Å; E357-V379 PolarHBondContact OE2-N 3.05Å
358	V	98.4	Very high	96.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-43.5	-178.7	173.3	0	0	0	0	111.3	L354 Q355 R360 V361 V362 P368 L376 V379 A486 H487	L354-V358 WeakPolarHBondContact O-CB 3.2Å; L354-V358 VanDerWaalsContact O-CG2 3.32Å; L354-V358 WeakPolarHBondContact O-CG2 3.44Å; L354-V358 PolarHBondContact O-N 3.43Å; Q355-V358 PolarHBondContact O-N 3.15Å; V358-R360 PolarHBondContact O-N 3.38Å; V358-V361 PolarHBondContact O-N 3Å; V358-V362 PolarHBondContact O-N 3.39Å; V358-P368 HydrophobicContact CG1-CG 3.78Å; V358-L376 HydrophobicContact CB-CD2 4.49Å; V358-L376 HydrophobicContact CG2-CD1 4.39Å; V358-L376 HydrophobicContact CG2-CD2 3.98Å; V358-V379 HydrophobicContact CG2-CG2 3.85Å; V358-A486 HydrophobicContact CG2-CB 4.11Å; V358-H487 HydrophobicContact CG1-CB 3.84Å
359	D	97.9	Very high	96.8	Very high	41 Å²	41	50.4 Å²	50.4	22%	0.219	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-31.8	176.5	-64.6	-1.2	0	0	0	111.8	Q355 D363 R364 R521	Q355-D359 WeakPolarHBondContact O-CB 3.45Å; Q355-D359 PolarHBondContact O-N 3.05Å; Q355-D359 VanDerWaalsContact O-OD1 3.06Å; D359-D363 WeakPolarHBondContact O-CA 3.43Å; D359-D363 PolarHBondContact O-N 3.48Å; D359-D363 VanDerWaalsContact O-N 3.1Å; D359-R364 IonicContact OD1-CZ 3.75Å; D359-R364 IonicContact OD1-NH1 2.83Å; D359-R364 PolarHBondContact OD1-NH1 3.16Å; D359-R364 VanDerWaalsContact OD1-NH1 3.12Å; D359-R364 IonicContact OD1-NH2 3.78Å; D359-R364 PolarHBondContact OD1-NH2 3.48Å; D359-R364 IonicContact OD2-NH2 3.57Å; D359-R364 PolarHBondContact OD2-NH2 2.98Å; D359-R364 VanDerWaalsContact OD2-NH2 3.09Å; D359-R521 IonicContact OD1-CZ 3.46Å; D359-R521 IonicContact OD1-NH1 2.7Å; D359-R521 PolarHBondContact OD1-NH1 3.29Å; D359-R521 IonicContact OD1-NH2 2.88Å; D359-R521 IonicContact OD2-CZ 2.7Å; D359-R521 IonicContact OD2-NH1 2.69Å; D359-R521 PolarHBondContact OD2-NH1 2.95Å; D359-R521 IonicContact OD2-NH2 3.11Å; D359-R521 PolarHBondContact OD2-NH2 3.41Å
360	R	97.4	Very high	96.6	Very high	179 Å²	179	45.1 Å²	45.1	68%	0.675	22%	0.22	S	C	*	.	H	α-helix	trans	-68.7	-34.6	177.1	-176	-171	67	137.8	2.6	112.5	L356 E357 V358	L356-R360 WeakPolarHBondContact O-CB 3.39Å; L356-R360 PolarHBondContact O-N 3.43Å; L356-R360 VanDerWaalsContact O-N 3.16Å; E357-R360 WeakPolarHBondContact O-CB 3.39Å; E357-R360 PolarHBondContact O-N 3.48Å; V358-R360 PolarHBondContact O-N 3.38Å
361	V	97.4	Very high	96.4	Very high	38 Å²	38	51 Å²	51	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-91.3	-41.3	-173.1	176.3	0	0	0	0	112.1	E357 V358 D372 E375 L376	E357-V361 PolarHBondContact O-N 3.02Å; V358-V361 PolarHBondContact O-N 3Å; V361-D372 HydrophobicContact CG1-CB 4.41Å; V361-E375 HydrophobicContact CG1-CB 3.79Å; V361-E375 HydrophobicContact CG2-CB 4.16Å; V361-E375 WeakPolarHBondContact CG2-O 3.35Å; V361-L376 HydrophobicContact CB-CD2 3.93Å; V361-L376 HydrophobicContact CG1-CD2 4.4Å; V361-L376 HydrophobicContact CG1-CG 4.5Å; V361-L376 HydrophobicContact CG2-CD2 3.68Å; V361-L376 HydrophobicContact CG2-CG 4.4Å
362	V	94.7	Very high	96.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-117.8	0.2	-169	-170.5	0	0	0	0	112.6	V358 R364 R366 P368 D372	V358-V362 PolarHBondContact O-N 3.39Å; V362-R364 PolarHBondContact O-N 2.94Å; V362-R366 HydrophobicContact CG1-CG 3.49Å; V362-R366 VanDerWaalsContact CG1-CG 3.49Å; V362-R366 VanDerWaalsContact CG1-CZ 3.47Å; V362-P368 HydrophobicContact CB-CG 4.49Å; V362-P368 HydrophobicContact CG1-CG 4.36Å; V362-P368 HydrophobicContact CG2-CB 4.45Å; V362-D372 HydrophobicContact CG2-CB 4.18Å
363	D	90.2	Very high	96.2	Very high	83 Å²	83	51.3 Å²	51.3	44%	0.444	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	-130.1	-177.9	65.7	38.9	0	0	0	113.6	D359 S365 H487	D359-D363 WeakPolarHBondContact O-CA 3.43Å; D359-D363 PolarHBondContact O-N 3.48Å; D359-D363 VanDerWaalsContact O-N 3.1Å; D363-S365 WeakPolarHBondContact OD1-CB 3.47Å; D363-S365 PolarHBondContact OD1-N 3.34Å; D363-S365 PolarHBondContact OD1-OG 3.09Å; D363-H487 PolarHBondContact O-NE2 2.95Å
364	R	92.3	Very high	96.1	Very high	54 Å²	54	51.4 Å²	51.4	20%	0.204	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	8.6	-179.3	-69.2	-63.8	-166.9	-127.9	-16.9	113	D359 V362 H487 E522 L526	D359-R364 IonicContact OD1-CZ 3.75Å; D359-R364 IonicContact OD1-NH1 2.83Å; D359-R364 PolarHBondContact OD1-NH1 3.16Å; D359-R364 VanDerWaalsContact OD1-NH1 3.12Å; D359-R364 IonicContact OD1-NH2 3.78Å; D359-R364 PolarHBondContact OD1-NH2 3.48Å; D359-R364 IonicContact OD2-NH2 3.57Å; D359-R364 PolarHBondContact OD2-NH2 2.98Å; D359-R364 VanDerWaalsContact OD2-NH2 3.09Å; V362-R364 PolarHBondContact O-N 2.94Å; R364-H487 PolarHBondContact NH1-CD2 2.88Å; R364-H487 PolarHBondContact NH1-CE1 3.45Å; R364-H487 VanDerWaalsContact NH1-CE1 3.3Å; R364-H487 VanDerWaalsContact NH1-CG 3.28Å; R364-H487 PolarHBondContact NH1-ND1 3.31Å; R364-H487 PolarHBondContact NH1-NE2 2.66Å; R364-H487 PolarHBondContact NH1-O 3.44Å; R364-E522 VanDerWaalsContact CD-OE1 3.22Å; R364-E522 WeakPolarHBondContact CD-OE1 3.38Å; R364-E522 WeakPolarHBondContact CD-OE2 3.4Å; R364-E522 VanDerWaalsContact CG-OE1 3.22Å; R364-E522 WeakPolarHBondContact CG-OE1 3.49Å; R364-E522 IonicContact NE-OE1 2.76Å; R364-E522 PolarHBondContact NE-OE1 3.28Å; R364-E522 IonicContact NE-OE2 3.54Å; R364-L526 WeakPolarHBondContact O-CD1 3.32Å
365	S	92.6	Very high	96	Very high	86 Å²	86	57 Å²	57	60%	0.601	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-20.4	-180	70.9	0	0	0	0	112.6	D363	D363-S365 WeakPolarHBondContact OD1-CB 3.47Å; D363-S365 PolarHBondContact OD1-N 3.34Å; D363-S365 PolarHBondContact OD1-OG 3.09Å
366	R	94.9	Very high	96	Very high	99 Å²	99	56.4 Å²	56.4	37%	0.374	29%	0.287	S	S	.	.	S	Bend	trans	-146.8	171	179.5	73	178	178	86.8	-5.7	111.3	V362 D372 H487	V362-R366 HydrophobicContact CG1-CG 3.49Å; V362-R366 VanDerWaalsContact CG1-CG 3.49Å; V362-R366 VanDerWaalsContact CG1-CZ 3.47Å; R366-D372 IonicContact CZ-OD1 3.43Å; R366-D372 IonicContact CZ-OD2 2.77Å; R366-D372 IonicContact NH1-OD1 2.66Å; R366-D372 PolarHBondContact NH1-OD1 3.36Å; R366-D372 IonicContact NH1-OD2 3.55Å; R366-D372 PolarHBondContact NH1-OD2 2.89Å; R366-D372 IonicContact NH2-OD1 2.72Å; R366-D372 PolarHBondContact NH2-OD1 3.35Å; R366-D372 IonicContact NH2-OD2 3.51Å; R366-H487 PolarHBondContact O-NE2 3Å
367	L	96.9	Very high	96	Very high	26 Å²	26	52 Å²	52	14%	0.136	27%	0.265	C	S	.	.			trans	-86.9	151	174	-65.1	166.2	0	0	0	111.5	L174 L484 Q488 L526 L527	L174-L367 HydrophobicContact CD1-CD1 3.56Å; L174-L367 HydrophobicContact CD2-CD1 3.79Å; L174-L367 HydrophobicContact CG-CD1 4.32Å; L367-L484 HydrophobicContact CB-CD2 4.38Å; L367-L484 HydrophobicContact CD2-CD2 4.13Å; L367-Q488 HydrophobicContact CD2-CG 4.44Å; L367-L526 WeakPolarHBondContact CD1-O 3.46Å; L367-L526 HydrophobicContact CD2-CB 3.96Å; L367-L526 HydrophobicContact CG-CB 4.17Å; L367-L527 HydrophobicContact CD1-CD2 4.13Å; L367-L527 HydrophobicContact CD2-CD2 3.71Å; L367-L527 HydrophobicContact CD2-CG 4.13Å
368	P	97.1	Very high	96	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.039	26%	0.262	C	S	.	.			trans	-58.1	139.9	165.6	-22.9	33	0	0	0	111.6	V358 V362 L480 A483 H487	V358-P368 HydrophobicContact CG1-CG 3.78Å; V362-P368 HydrophobicContact CB-CG 4.49Å; V362-P368 HydrophobicContact CG1-CG 4.36Å; V362-P368 HydrophobicContact CG2-CB 4.45Å; P368-L480 WeakPolarHBondContact O-CD1 3.29Å; P368-A483 HydrophobicContact CB-CB 3.83Å; P368-A483 HydrophobicContact CG-CB 4.29Å; P368-H487 HydrophobicContact CG-CB 3.81Å
369	S	95.6	Very high	96.1	Very high	21 Å²	21	51.4 Å²	51.4	15%	0.147	26%	0.262	C	S	.	.			trans	-124.4	169.5	179.1	70.3	0	0	0	0	110.5	E371 D372 F479	S369-E371 PolarHBondContact O-N 2.85Å; S369-E371 PolarHBondContact OG-N 2.75Å; S369-D372 PolarHBondContact N-OD2 3.5Å; S369-D372 WeakPolarHBondContact O-CB 3.34Å; S369-D372 PolarHBondContact O-N 3.45Å; S369-D372 VanDerWaalsContact O-N 3.16Å; S369-D372 PolarHBondContact OG-OD2 3.23Å; S369-F479 WeakPolarHBondContact O-CE1 3.48Å
370	I	94.7	Very high	96.1	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-61.1	-30	176.5	-66	170.6	0	0	0	111.9	K166 F169 E170 D372 Q373 L476 L480	K166-I370 HydrophobicContact CG-CD1 4.15Å; F169-I370 HydrophobicContact CD1-CD1 3.77Å; F169-I370 HydrophobicContact CE1-CD1 4.05Å; E170-I370 HydrophobicContact CB-CD1 3.88Å; E170-I370 HydrophobicContact CB-CG1 4.44Å; E170-I370 HydrophobicContact CG-CD1 4.43Å; E170-I370 HydrophobicContact CG-CG1 4.46Å; E170-I370 WeakPolarHBondContact OE2-CB 3.46Å; E170-I370 VanDerWaalsContact OE2-CG1 3.31Å; E170-I370 WeakPolarHBondContact OE2-CG1 3.34Å; E170-I370 PolarHBondContact OE2-N 3.12Å; I370-D372 PolarHBondContact O-N 2.94Å; I370-Q373 VanDerWaalsContact O-CB 3.32Å; I370-Q373 WeakPolarHBondContact O-CB 3.35Å; I370-Q373 PolarHBondContact O-N 2.99Å; I370-L476 HydrophobicContact CG2-CD1 4.41Å; I370-L476 HydrophobicContact CG2-CD2 3.43Å; I370-L476 VanDerWaalsContact CG2-CD2 3.43Å; I370-L476 HydrophobicContact CG2-CG 4.44Å; I370-L480 HydrophobicContact CG1-CD2 4.25Å
371	E	94.6	Very high	96.2	Very high	135 Å²	135	41.6 Å²	41.6	63%	0.631	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-69	-20.5	-179.5	-54.4	-55.1	166.7	0	0	112.9	K166 S369 Q373	K166-E371 IonicContact NZ-OE1 3.38Å; K166-E371 PolarHBondContact NZ-OE1 3.33Å; K166-E371 IonicContact NZ-OE2 3.77Å; K166-E371 PolarHBondContact NZ-OE2 2.83Å; S369-E371 PolarHBondContact O-N 2.85Å; S369-E371 PolarHBondContact OG-N 2.75Å; E371-Q373 PolarHBondContact O-N 3.44Å
372	D	97.3	Very high	96.2	Very high	15 Å²	15	39.8 Å²	39.8	8%	0.08	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-76.7	-9.1	178.2	-57.9	-57.2	0	0	0	113	V361 V362 R366 S369 I370 A374 E375 L376	V361-D372 HydrophobicContact CG1-CB 4.41Å; V362-D372 HydrophobicContact CG2-CB 4.18Å; R366-D372 IonicContact CZ-OD1 3.43Å; R366-D372 IonicContact CZ-OD2 2.77Å; R366-D372 IonicContact NH1-OD1 2.66Å; R366-D372 PolarHBondContact NH1-OD1 3.36Å; R366-D372 IonicContact NH1-OD2 3.55Å; R366-D372 PolarHBondContact NH1-OD2 2.89Å; R366-D372 IonicContact NH2-OD1 2.72Å; R366-D372 PolarHBondContact NH2-OD1 3.35Å; R366-D372 IonicContact NH2-OD2 3.51Å; S369-D372 PolarHBondContact N-OD2 3.5Å; S369-D372 WeakPolarHBondContact O-CB 3.34Å; S369-D372 PolarHBondContact O-N 3.45Å; S369-D372 VanDerWaalsContact O-N 3.16Å; S369-D372 PolarHBondContact OG-OD2 3.23Å; I370-D372 PolarHBondContact O-N 2.94Å; D372-A374 PolarHBondContact O-N 3.48Å; D372-A374 VanDerWaalsContact O-N 3.15Å; D372-E375 PolarHBondContact O-N 3.03Å; D372-L376 HydrophobicContact CB-CD1 4.03Å; D372-L376 WeakPolarHBondContact O-CG 3.47Å; D372-L376 PolarHBondContact O-N 2.99Å
373	Q	96.4	Very high	96.4	Very high	56 Å²	56	40 Å²	40	26%	0.262	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-56.7	-34.4	-174.8	-175.7	-174.6	-138.7	0	0	113.6	I370 E371 E375 L376 M380 F479	I370-Q373 VanDerWaalsContact O-CB 3.32Å; I370-Q373 WeakPolarHBondContact O-CB 3.35Å; I370-Q373 PolarHBondContact O-N 2.99Å; E371-Q373 PolarHBondContact O-N 3.44Å; Q373-E375 VanDerWaalsContact C-N 3.27Å; Q373-E375 PolarHBondContact O-N 3.29Å; Q373-L376 PolarHBondContact O-N 2.79Å; Q373-M380 HydrophobicContact CG-CG 3.99Å; Q373-M380 HydrophobicContact CG-SD 3.69Å; Q373-M380 PolarHBondContact OE1-SD 2.86Å; Q373-F479 HydrophobicContact CB-CD1 4.08Å; Q373-F479 HydrophobicContact CB-CD2 4.21Å; Q373-F479 HydrophobicContact CB-CE1 3.72Å; Q373-F479 HydrophobicContact CB-CE2 3.85Å; Q373-F479 HydrophobicContact CB-CG 4.31Å; Q373-F479 HydrophobicContact CB-CZ 3.59Å; Q373-F479 HydrophobicContact CG-CD1 4.25Å; Q373-F479 HydrophobicContact CG-CD2 3.88Å; Q373-F479 HydrophobicContact CG-CE1 4.34Å; Q373-F479 HydrophobicContact CG-CE2 3.96Å; Q373-F479 HydrophobicContact CG-CG 4.03Å; Q373-F479 HydrophobicContact CG-CZ 4.2Å
374	A	95.1	Very high	96.8	Very high	84 Å²	84	37.6 Å²	37.6	69%	0.694	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-68.3	-28.5	179.5	0	0	0	0	0	112.7	D372	D372-A374 PolarHBondContact O-N 3.48Å; D372-A374 VanDerWaalsContact O-N 3.15Å
375	E	97.6	Very high	97.1	Very high	120 Å²	120	35 Å²	35	56%	0.561	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-95	-0.9	-177	-58.2	-56.3	127.3	0	0	112.9	V361 D372 Q373 P377	V361-E375 HydrophobicContact CG1-CB 3.79Å; V361-E375 HydrophobicContact CG2-CB 4.16Å; V361-E375 WeakPolarHBondContact CG2-O 3.35Å; D372-E375 PolarHBondContact O-N 3.03Å; Q373-E375 VanDerWaalsContact C-N 3.27Å; Q373-E375 PolarHBondContact O-N 3.29Å; E375-P377 WeakPolarHBondContact O-CD 3.18Å
376	L	98.4	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.			trans	-115.3	60.3	-179.9	-65.7	173.2	0	0	0	112.1	E357 V358 V361 D372 Q373 Y378 V379 M380 F479 A483	E357-L376 HydrophobicContact CG-CD2 3.81Å; V358-L376 HydrophobicContact CB-CD2 4.49Å; V358-L376 HydrophobicContact CG2-CD1 4.39Å; V358-L376 HydrophobicContact CG2-CD2 3.98Å; V361-L376 HydrophobicContact CB-CD2 3.93Å; V361-L376 HydrophobicContact CG1-CD2 4.4Å; V361-L376 HydrophobicContact CG1-CG 4.5Å; V361-L376 HydrophobicContact CG2-CD2 3.68Å; V361-L376 HydrophobicContact CG2-CG 4.4Å; D372-L376 HydrophobicContact CB-CD1 4.03Å; D372-L376 WeakPolarHBondContact O-CG 3.47Å; D372-L376 PolarHBondContact O-N 2.99Å; Q373-L376 PolarHBondContact O-N 2.79Å; L376-Y378 VanDerWaalsContact C-N 3.33Å; L376-Y378 PolarHBondContact O-N 3.12Å; L376-V379 HydrophobicContact CB-CB 4.1Å; L376-V379 HydrophobicContact CB-CG2 4.1Å; L376-V379 HydrophobicContact CD2-CG2 4.49Å; L376-V379 PolarHBondContact O-N 3.39Å; L376-M380 PolarHBondContact O-N 2.74Å; L376-F479 HydrophobicContact CB-CE2 4.06Å; L376-F479 HydrophobicContact CD1-CE2 3.77Å; L376-F479 HydrophobicContact CD1-CZ 3.73Å; L376-A483 HydrophobicContact CD1-CB 4.45Å
377	P	98.4	Very high	97.6	Very high	21 Å²	21	26.7 Å²	26.7	14%	0.136	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-33.7	-176.4	26.8	-35.5	0	0	0	113.3	E357 E375 M380 A381 L444 G448 L450	E357-P377 WeakPolarHBondContact OE1-CD 3.32Å; E357-P377 WeakPolarHBondContact OE1-CG 3.5Å; E375-P377 WeakPolarHBondContact O-CD 3.18Å; P377-M380 PolarHBondContact O-N 3.01Å; P377-A381 VanDerWaalsContact O-CB 3.28Å; P377-A381 WeakPolarHBondContact O-CB 3.46Å; P377-A381 PolarHBondContact O-N 2.91Å; P377-L444 HydrophobicContact CB-CD2 4.04Å; P377-G448 WeakPolarHBondContact CB-O 3.26Å; P377-G448 WeakPolarHBondContact CG-O 3.43Å; P377-L450 HydrophobicContact CB-CB 4.31Å
378	Y	98.8	Very high	97.7	Very high	10 Å²	10	25.4 Å²	25.4	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-72.5	-36.9	178.5	-169.7	-106.3	0	0	0	112.2	I350 R353 L354 E357 L376 M380 A381 F382 P440 L444	I350-Y378 HydrophobicContact CG2-CE1 4.41Å; R353-Y378 HydrophobicContact CB-CD1 4.35Å; R353-Y378 HydrophobicContact CB-CE1 3.7Å; R353-Y378 HydrophobicContact CG-CD1 3.73Å; R353-Y378 HydrophobicContact CG-CE1 3.43Å; R353-Y378 VanDerWaalsContact CG-CE1 3.43Å; R353-Y378 HydrophobicContact CG-CE2 4.49Å; R353-Y378 HydrophobicContact CG-CG 4.39Å; R353-Y378 VanDerWaalsContact CZ-CD2 3.46Å; L354-Y378 HydrophobicContact CD2-CD1 3.66Å; L354-Y378 HydrophobicContact CD2-CE1 4.03Å; L354-Y378 HydrophobicContact CG-CD1 4.03Å; L354-Y378 HydrophobicContact CG-CE1 3.97Å; E357-Y378 VanDerWaalsContact CD-CB 3.41Å; E357-Y378 WeakPolarHBondContact OE1-CB 3.22Å; E357-Y378 PolarHBondContact OE1-N 3.48Å; E357-Y378 WeakPolarHBondContact OE2-CA 3.38Å; E357-Y378 VanDerWaalsContact OE2-CB 3.32Å; E357-Y378 WeakPolarHBondContact OE2-CB 3.24Å; E357-Y378 PolarHBondContact OE2-N 3.4Å; L376-Y378 VanDerWaalsContact C-N 3.33Å; L376-Y378 PolarHBondContact O-N 3.12Å; Y378-M380 VanDerWaalsContact C-N 3.29Å; Y378-M380 PolarHBondContact O-N 3.44Å; Y378-A381 PolarHBondContact O-N 3.22Å; Y378-F382 WeakPolarHBondContact O-CB 3.21Å; Y378-F382 PolarHBondContact O-N 2.69Å; Y378-P440 HydrophobicContact CD2-CB 4.45Å; Y378-P440 HydrophobicContact CE2-CB 3.71Å; Y378-L444 HydrophobicContact CD2-CD1 3.75Å
379	V	98.8	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.8	-45.7	168.9	176.3	0	0	0	0	110.7	L354 E357 V358 L376 F382 L383 F479 T482	L354-V379 HydrophobicContact CD2-CB 4.18Å; L354-V379 HydrophobicContact CD2-CG2 3.76Å; E357-V379 WeakPolarHBondContact OE2-CG2 3.48Å; E357-V379 PolarHBondContact OE2-N 3.05Å; V358-V379 HydrophobicContact CG2-CG2 3.85Å; L376-V379 HydrophobicContact CB-CB 4.1Å; L376-V379 HydrophobicContact CB-CG2 4.1Å; L376-V379 HydrophobicContact CD2-CG2 4.49Å; L376-V379 PolarHBondContact O-N 3.39Å; V379-F382 PolarHBondContact O-N 3.18Å; V379-L383 HydrophobicContact CG1-CD1 4.46Å; V379-L383 WeakPolarHBondContact O-CG 3.35Å; V379-L383 PolarHBondContact O-N 2.63Å; V379-L383 VanDerWaalsContact O-N 3.08Å; V379-F479 HydrophobicContact CB-CE2 4.5Å; V379-F479 HydrophobicContact CG1-CD2 3.77Å; V379-F479 HydrophobicContact CG1-CE2 4.04Å; V379-T482 HydrophobicContact CG1-CG2 4.12Å
380	M	98.7	Very high	97.9	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.069	14%	0.135	C	C	.	.	H	α-helix	trans	-67.7	-41.9	178.1	-69.4	-55.4	-62.7	0	0	112.4	Q373 L376 P377 Y378 F382 L383 Y384 L450 F479	Q373-M380 HydrophobicContact CG-CG 3.99Å; Q373-M380 HydrophobicContact CG-SD 3.69Å; Q373-M380 PolarHBondContact OE1-SD 2.86Å; L376-M380 PolarHBondContact O-N 2.74Å; P377-M380 PolarHBondContact O-N 3.01Å; Y378-M380 VanDerWaalsContact C-N 3.29Å; Y378-M380 PolarHBondContact O-N 3.44Å; M380-F382 VanDerWaalsContact C-N 3.32Å; M380-F382 PolarHBondContact O-N 2.85Å; M380-L383 PolarHBondContact O-N 3.43Å; M380-L383 HydrophobicContact SD-CD1 4.21Å; M380-Y384 HydrophobicContact CE-CE2 3.85Å; M380-Y384 WeakPolarHBondContact O-CD2 3.17Å; M380-Y384 PolarHBondContact O-N 3.15Å; M380-L450 HydrophobicContact CB-CD1 4.25Å; M380-L450 HydrophobicContact CB-CD2 4.08Å; M380-F479 HydrophobicContact CG-CD2 4.48Å; M380-F479 HydrophobicContact SD-CB 4.14Å; M380-F479 HydrophobicContact SD-CD2 3.7Å; M380-F479 HydrophobicContact SD-CG 4.2Å
381	A	98.8	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-43.7	175.9	0	0	0	0	0	111.6	P377 Y378 L383 Y384 E385 P440 F443 L444 L450	P377-A381 VanDerWaalsContact O-CB 3.28Å; P377-A381 WeakPolarHBondContact O-CB 3.46Å; P377-A381 PolarHBondContact O-N 2.91Å; Y378-A381 PolarHBondContact O-N 3.22Å; A381-L383 PolarHBondContact O-N 3.4Å; A381-Y384 PolarHBondContact O-N 3.37Å; A381-E385 PolarHBondContact O-N 3.43Å; A381-P440 WeakPolarHBondContact CB-O 3.01Å; A381-F443 HydrophobicContact CB-CB 3.87Å; A381-L444 HydrophobicContact CB-CD2 3.8Å; A381-L444 HydrophobicContact CB-CG 4.07Å; A381-L450 HydrophobicContact CB-CD1 4.04Å
382	F	98.9	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.9	-49.3	172.4	167.9	-97.3	0	0	0	111.5	I340 I343 L344 I350 L354 Y378 V379 M380 Y384 E385 V386 F438 P440 T482	I340-F382 HydrophobicContact CB-CE1 4.39Å; I340-F382 HydrophobicContact CB-CZ 4.48Å; I340-F382 HydrophobicContact CG1-CE1 4.06Å; I340-F382 HydrophobicContact CG1-CZ 4.47Å; I340-F382 HydrophobicContact CG2-CE1 3.89Å; I340-F382 HydrophobicContact CG2-CZ 4.1Å; I343-F382 HydrophobicContact CB-CE2 4.43Å; I343-F382 HydrophobicContact CG2-CE2 3.63Å; I343-F382 HydrophobicContact CG2-CZ 4.24Å; L344-F382 HydrophobicContact CD2-CE2 4.02Å; L344-F382 HydrophobicContact CD2-CZ 3.83Å; L344-F382 HydrophobicContact CG-CZ 4.06Å; I350-F382 HydrophobicContact CG2-CD2 3.7Å; I350-F382 HydrophobicContact CG2-CE2 4.01Å; L354-F382 HydrophobicContact CD1-CD1 4.16Å; L354-F382 HydrophobicContact CD1-CD2 4.07Å; L354-F382 HydrophobicContact CD1-CE1 4.38Å; L354-F382 HydrophobicContact CD1-CE2 4.29Å; L354-F382 HydrophobicContact CD1-CG 4Å; L354-F382 HydrophobicContact CD1-CZ 4.45Å; L354-F382 HydrophobicContact CD2-CB 3.98Å; L354-F382 HydrophobicContact CD2-CG 4.28Å; Y378-F382 WeakPolarHBondContact O-CB 3.21Å; Y378-F382 PolarHBondContact O-N 2.69Å; V379-F382 PolarHBondContact O-N 3.18Å; M380-F382 VanDerWaalsContact C-N 3.32Å; M380-F382 PolarHBondContact O-N 2.85Å; F382-Y384 PolarHBondContact O-N 2.68Å; F382-E385 PolarHBondContact O-N 2.89Å; F382-V386 HydrophobicContact CD1-CG2 4.27Å; F382-V386 HydrophobicContact CD2-CG2 4.35Å; F382-V386 HydrophobicContact CE1-CG2 3.86Å; F382-V386 HydrophobicContact CE2-CG2 3.97Å; F382-V386 HydrophobicContact CZ-CG2 3.7Å; F382-V386 WeakPolarHBondContact O-CG2 3.29Å; F382-V386 PolarHBondContact O-N 3.24Å; F382-F438 HydrophobicContact CD2-CE1 4.07Å; F382-F438 AromaticContact CD2-CZ 3.8Å; F382-F438 HydrophobicContact CD2-CZ 3.8Å; F382-F438 HydrophobicContact CE2-CE1 4.14Å; F382-F438 AromaticContact CE2-CZ 3.85Å; F382-F438 HydrophobicContact CE2-CZ 3.85Å; F382-P440 HydrophobicContact CB-CB 4.37Å; F382-P440 HydrophobicContact CB-CG 4.37Å; F382-P440 HydrophobicContact CD2-CG 4.25Å; F382-T482 HydrophobicContact CD1-CG2 3.86Å; F382-T482 HydrophobicContact CE1-CG2 3.79Å
383	L	98.8	Very high	98.1	Very high	7 Å²	7	20 Å²	20	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-62.7	-41.6	179.3	-72.8	174.3	0	0	0	113.1	I340 V379 M380 A381 E385 V386 M387 L478 F479	I340-L383 HydrophobicContact CD1-CD2 3.64Å; I340-L383 HydrophobicContact CG1-CD2 4.17Å; V379-L383 HydrophobicContact CG1-CD1 4.46Å; V379-L383 WeakPolarHBondContact O-CG 3.35Å; V379-L383 PolarHBondContact O-N 2.63Å; V379-L383 VanDerWaalsContact O-N 3.08Å; M380-L383 PolarHBondContact O-N 3.43Å; M380-L383 HydrophobicContact SD-CD1 4.21Å; A381-L383 PolarHBondContact O-N 3.4Å; L383-E385 VanDerWaalsContact C-N 3.32Å; L383-V386 PolarHBondContact O-N 3.42Å; L383-M387 WeakPolarHBondContact O-CE 3.16Å; L383-M387 WeakPolarHBondContact O-CG 3.21Å; L383-M387 PolarHBondContact O-N 2.62Å; L383-L478 HydrophobicContact CD1-CB 4.36Å; L383-L478 HydrophobicContact CD2-CB 4.01Å; L383-F479 VanDerWaalsContact CD1-CA 3.49Å; L383-F479 HydrophobicContact CD1-CB 3.99Å
384	Y	98.8	Very high	98.1	Very high	31 Å²	31	17.4 Å²	17.4	12%	0.122	10%	0.098	C	C	.	.	H	α-helix	trans	-62.9	-39.2	174.8	-80.2	-67.8	0	0	0	111.9	M380 A381 F382 M387 R388 L450 A455 V458 K475	M380-Y384 HydrophobicContact CE-CE2 3.85Å; M380-Y384 WeakPolarHBondContact O-CD2 3.17Å; M380-Y384 PolarHBondContact O-N 3.15Å; A381-Y384 PolarHBondContact O-N 3.37Å; F382-Y384 PolarHBondContact O-N 2.68Å; Y384-M387 HydrophobicContact CD1-CE 3.54Å; Y384-M387 HydrophobicContact CE1-CE 3.87Å; Y384-M387 HydrophobicContact CG-CE 4.1Å; Y384-M387 PolarHBondContact O-N 2.97Å; Y384-R388 WeakPolarHBondContact O-CB 3.35Å; Y384-R388 PolarHBondContact O-N 3.03Å; Y384-L450 HydrophobicContact CD2-CD1 4.2Å; Y384-L450 HydrophobicContact CD2-CD2 4.27Å; Y384-L450 HydrophobicContact CE2-CD2 3.88Å; Y384-A455 HydrophobicContact CD1-CB 3.94Å; Y384-A455 HydrophobicContact CD2-CB 3.86Å; Y384-A455 HydrophobicContact CE1-CB 3.95Å; Y384-A455 HydrophobicContact CE2-CB 3.89Å; Y384-A455 HydrophobicContact CG-CB 3.91Å; Y384-V458 HydrophobicContact CD1-CB 4.4Å; Y384-V458 HydrophobicContact CD1-CG2 4.25Å; Y384-K475 PolarHBondContact OH-NZ 2.63Å; Y384-K475 VanDerWaalsContact OH-NZ 3.17Å
385	E	98.9	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-69.1	-38.8	175.1	-171.6	68.3	174.8	0	0	112.1	A381 F382 L383 M387 R388 F389 T437 F438 D439 R442 F443	A381-E385 PolarHBondContact O-N 3.43Å; F382-E385 PolarHBondContact O-N 2.89Å; L383-E385 VanDerWaalsContact C-N 3.32Å; E385-M387 VanDerWaalsContact C-N 3.34Å; E385-M387 PolarHBondContact O-N 2.94Å; E385-R388 PolarHBondContact O-N 3.27Å; E385-R388 IonicContact OE1-CZ 3.37Å; E385-R388 IonicContact OE1-NE 2.71Å; E385-R388 PolarHBondContact OE1-NE 3.34Å; E385-R388 IonicContact OE1-NH2 3.49Å; E385-R388 PolarHBondContact OE1-NH2 2.84Å; E385-R388 IonicContact OE2-CZ 2.85Å; E385-R388 IonicContact OE2-NE 3.46Å; E385-R388 PolarHBondContact OE2-NE 3.49Å; E385-R388 IonicContact OE2-NH2 3.95Å; E385-F389 WeakPolarHBondContact O-CB 3.27Å; E385-F389 PolarHBondContact O-N 3.34Å; E385-T437 VanDerWaalsContact OE1-O 3.11Å; E385-F438 HydrophobicContact CB-CE2 3.93Å; E385-F438 HydrophobicContact CB-CZ 4.09Å; E385-F438 HydrophobicContact CG-CD2 3.63Å; E385-F438 HydrophobicContact CG-CE1 4.41Å; E385-F438 HydrophobicContact CG-CE2 3.48Å; E385-F438 VanDerWaalsContact CG-CE2 3.48Å; E385-F438 HydrophobicContact CG-CG 4.14Å; E385-F438 HydrophobicContact CG-CZ 3.89Å; E385-D439 VanDerWaalsContact CD-O 3.29Å; E385-D439 PolarHBondContact OE1-N 2.9Å; E385-R442 IonicContact OE1-CZ 2.99Å; E385-R442 IonicContact OE1-NE 3.12Å; E385-R442 PolarHBondContact OE1-NE 3.05Å; E385-R442 IonicContact OE1-NH2 2.66Å; E385-R442 PolarHBondContact OE1-NH2 3.34Å; E385-R442 IonicContact OE2-NE 3.52Å; E385-R442 PolarHBondContact OE2-NE 3.38Å; E385-F443 HydrophobicContact CB-CD2 4.17Å; E385-F443 HydrophobicContact CB-CE2 3.79Å; E385-F443 WeakPolarHBondContact OE2-CE2 3.4Å
386	V	98.8	Very high	98	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-56.7	-49.8	172.1	173.9	0	0	0	0	110.2	W339 I340 I343 F382 L383 R388 T390 F438	W339-V386 HydrophobicContact CB-CG1 3.99Å; I340-V386 HydrophobicContact CG1-CG1 4.22Å; I340-V386 HydrophobicContact CG1-CG2 4.29Å; I343-V386 HydrophobicContact CD1-CB 4.37Å; I343-V386 HydrophobicContact CD1-CG1 4.19Å; I343-V386 HydrophobicContact CD1-CG2 3.76Å; F382-V386 HydrophobicContact CD1-CG2 4.27Å; F382-V386 HydrophobicContact CD2-CG2 4.35Å; F382-V386 HydrophobicContact CE1-CG2 3.86Å; F382-V386 HydrophobicContact CE2-CG2 3.97Å; F382-V386 HydrophobicContact CZ-CG2 3.7Å; F382-V386 WeakPolarHBondContact O-CG2 3.29Å; F382-V386 PolarHBondContact O-N 3.24Å; L383-V386 PolarHBondContact O-N 3.42Å; V386-R388 PolarHBondContact O-N 2.82Å; V386-T390 HydrophobicContact CG1-CG2 4.38Å; V386-T390 WeakPolarHBondContact O-CB 3.43Å; V386-T390 WeakPolarHBondContact O-CG2 3.46Å; V386-T390 PolarHBondContact O-N 2.85Å; V386-T390 VanDerWaalsContact O-N 3.09Å; V386-T390 PolarHBondContact O-OG1 3.14Å; V386-F438 HydrophobicContact CG2-CE2 3.95Å; V386-F438 HydrophobicContact CG2-CZ 3.92Å
387	M	98.8	Very high	97.8	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.039	6%	0.06	C	C	.	.	H	α-helix	trans	-63.1	-41.8	180	-71.7	-176	-68.3	0	0	112.5	L383 Y384 E385 S391 F392 V458 I460 F461	L383-M387 WeakPolarHBondContact O-CE 3.16Å; L383-M387 WeakPolarHBondContact O-CG 3.21Å; L383-M387 PolarHBondContact O-N 2.62Å; Y384-M387 HydrophobicContact CD1-CE 3.54Å; Y384-M387 HydrophobicContact CE1-CE 3.87Å; Y384-M387 HydrophobicContact CG-CE 4.1Å; Y384-M387 PolarHBondContact O-N 2.97Å; E385-M387 VanDerWaalsContact C-N 3.34Å; E385-M387 PolarHBondContact O-N 2.94Å; M387-S391 WeakPolarHBondContact O-CA 3.21Å; M387-S391 PolarHBondContact O-N 2.91Å; M387-S391 VanDerWaalsContact O-N 3.15Å; M387-F392 HydrophobicContact CG-CE1 4.2Å; M387-V458 HydrophobicContact CB-CG1 4.01Å; M387-I460 HydrophobicContact CB-CB 4.41Å; M387-I460 HydrophobicContact CB-CG2 4.1Å; M387-I460 HydrophobicContact CG-CG2 4.21Å; M387-I460 HydrophobicContact SD-CG2 3.77Å; M387-F461 HydrophobicContact SD-CE2 3.63Å; M387-F461 HydrophobicContact SD-CZ 4.03Å
388	R	98.7	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68	-60.2	178.6	-173.5	-150.7	64.1	77.4	-5.2	111.2	Y384 E385 V386 T390 S391 N426 H427 W432 P435 T437 F443 V458	Y384-R388 WeakPolarHBondContact O-CB 3.35Å; Y384-R388 PolarHBondContact O-N 3.03Å; E385-R388 PolarHBondContact O-N 3.27Å; E385-R388 IonicContact OE1-CZ 3.37Å; E385-R388 IonicContact OE1-NE 2.71Å; E385-R388 PolarHBondContact OE1-NE 3.34Å; E385-R388 IonicContact OE1-NH2 3.49Å; E385-R388 PolarHBondContact OE1-NH2 2.84Å; E385-R388 IonicContact OE2-CZ 2.85Å; E385-R388 IonicContact OE2-NE 3.46Å; E385-R388 PolarHBondContact OE2-NE 3.49Å; E385-R388 IonicContact OE2-NH2 3.95Å; V386-R388 PolarHBondContact O-N 2.82Å; R388-T390 PolarHBondContact O-N 2.81Å; R388-S391 PolarHBondContact O-N 3.05Å; R388-S391 PolarHBondContact O-OG 3.46Å; R388-N426 HydrophobicContact CG-CB 3.85Å; R388-N426 WeakPolarHBondContact CG-O 3.18Å; R388-N426 PolarHBondContact NH1-O 2.96Å; R388-N426 WeakPolarHBondContact O-CB 3.49Å; R388-H427 PolarHBondContact O-CE1 2.95Å; R388-W432 VanDerWaalsContact CD-CD2 3.49Å; R388-W432 HydrophobicContact CG-CD2 4.28Å; R388-W432 HydrophobicContact CG-CH2 4.4Å; R388-W432 HydrophobicContact CG-CZ2 4.13Å; R388-P435 PolarHBondContact NH1-O 2.92Å; R388-P435 PolarHBondContact NH2-O 3.31Å; R388-T437 PolarHBondContact NH2-O 3.21Å; R388-F443 HydrophobicContact CB-CZ 4.43Å; R388-V458 HydrophobicContact CB-CG1 4.02Å; R388-V458 HydrophobicContact CB-CG2 4.04Å; R388-V458 HydrophobicContact CG-CG2 4.47Å
389	F	98.7	Very high	97.6	Very high	27 Å²	27	11.5 Å²	11.5	12%	0.118	6%	0.06	C	C	.	.	H	α-helix	trans	-60.5	-47.2	-172.6	177.5	-98.9	0	0	0	112.1	E385 H427 E436 F438 L501	E385-F389 WeakPolarHBondContact O-CB 3.27Å; E385-F389 PolarHBondContact O-N 3.34Å; F389-H427 PolarHBondContact O-CE1 2.96Å; F389-H427 PolarHBondContact O-NE2 3.18Å; F389-E436 WeakPolarHBondContact CE2-O 3.46Å; F389-F438 HydrophobicContact CB-CD2 3.81Å; F389-F438 HydrophobicContact CB-CE2 4.38Å; F389-F438 HydrophobicContact CD1-CB 4.44Å; F389-F438 AromaticContact CD1-CD2 3.83Å; F389-F438 HydrophobicContact CD1-CD2 3.83Å; F389-F438 HydrophobicContact CD2-CB 4.19Å; F389-F438 HydrophobicContact CD2-CD2 4.45Å; F389-F438 HydrophobicContact CE2-CB 4.28Å; F389-F438 HydrophobicContact CG-CB 4.28Å; F389-F438 AromaticContact CG-CD2 3.77Å; F389-F438 HydrophobicContact CG-CD2 3.77Å; F389-F438 HydrophobicContact CZ-CB 4.45Å; F389-L501 HydrophobicContact CE1-CD1 4.04Å; F389-L501 HydrophobicContact CZ-CD1 4.11Å
390	T	98.2	Very high	97.5	Very high	4 Å²	4	11.8 Å²	11.8	3%	0.025	6%	0.062	C	C	.	.	H	α-helix	trans	-79.3	-28.3	-178.3	67	0	0	0	0	111.8	W339 I343 V386 R388 F392 W423	W339-T390 HydrophobicContact CB-CG2 4.05Å; W339-T390 HydrophobicContact CD2-CG2 3.43Å; W339-T390 VanDerWaalsContact CD2-CG2 3.43Å; W339-T390 HydrophobicContact CE3-CG2 3.6Å; W339-T390 HydrophobicContact CG-CG2 3.65Å; W339-T390 HydrophobicContact CZ3-CG2 4.24Å; I343-T390 HydrophobicContact CD1-CG2 4.08Å; V386-T390 HydrophobicContact CG1-CG2 4.38Å; V386-T390 WeakPolarHBondContact O-CB 3.43Å; V386-T390 WeakPolarHBondContact O-CG2 3.46Å; V386-T390 PolarHBondContact O-N 2.85Å; V386-T390 VanDerWaalsContact O-N 3.09Å; V386-T390 PolarHBondContact O-OG1 3.14Å; R388-T390 PolarHBondContact O-N 2.81Å; T390-F392 PolarHBondContact O-N 3.4Å; T390-F392 WeakPolarHBondContact OG1-CD1 3.4Å; T390-W423 VanDerWaalsContact O-CZ3 3.28Å; T390-W423 WeakPolarHBondContact O-CZ3 3.37Å
391	S	98.1	Very high	97.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.			trans	41.2	45	-175.1	-76.1	0	0	0	0	111.6	M387 R388 V393 P394 N426 H427	M387-S391 WeakPolarHBondContact O-CA 3.21Å; M387-S391 PolarHBondContact O-N 2.91Å; M387-S391 VanDerWaalsContact O-N 3.15Å; R388-S391 PolarHBondContact O-N 3.05Å; R388-S391 PolarHBondContact O-OG 3.46Å; S391-V393 CarbonylContact O-C 3.53Å; S391-V393 VanDerWaalsContact O-C 3.26Å; S391-V393 PolarHBondContact O-N 3.18Å; S391-P394 WeakPolarHBondContact O-CA 3.28Å; S391-P394 WeakPolarHBondContact O-CD 3.26Å; S391-P394 VanDerWaalsContact O-N 3.1Å; S391-N426 WeakPolarHBondContact OG-CB 3.31Å; S391-N426 PolarHBondContact OG-ND2 3.16Å; S391-H427 PolarHBondContact OG-CE1 3.29Å
392	F	97.2	Very high	97.4	Very high	8 Å²	8	13.5 Å²	13.5	4%	0.035	7%	0.073	C	C	.	.	S	Bend	trans	-61.7	-9.8	-165.5	63.7	-99.4	0	0	0	114	T335 A336 M387 T390 I460 T508 L509	T335-F392 HydrophobicContact CG2-CB 3.9Å; T335-F392 HydrophobicContact CG2-CD2 4.22Å; T335-F392 HydrophobicContact CG2-CG 4.19Å; A336-F392 HydrophobicContact CB-CE1 3.91Å; A336-F392 HydrophobicContact CB-CE2 4.47Å; A336-F392 HydrophobicContact CB-CZ 3.84Å; M387-F392 HydrophobicContact CG-CE1 4.2Å; T390-F392 PolarHBondContact O-N 3.4Å; T390-F392 WeakPolarHBondContact OG1-CD1 3.4Å; F392-I460 HydrophobicContact CD1-CD1 4.48Å; F392-I460 HydrophobicContact CE1-CD1 4.48Å; F392-I460 HydrophobicContact CE1-CG1 4.25Å; F392-I460 HydrophobicContact CZ-CG1 4.13Å; F392-T508 HydrophobicContact CD2-CG2 4.47Å; F392-T508 CarbonylContact O-C 3.57Å; F392-T508 WeakPolarHBondContact O-CA 3.48Å; F392-T508 WeakPolarHBondContact O-CB 3.19Å; F392-L509 PolarHBondContact O-N 2.72Å
393	V	96.2	Very high	97.3	Very high	27 Å²	27	16.5 Å²	16.5	16%	0.164	9%	0.091	C	C	.	.	S	Bend	trans	-113.5	83.8	161.2	-173.9	0	0	0	0	108.3	T332 S391 L395 Q422 I460 T508	T332-V393 HydrophobicContact CG2-CG2 4.36Å; S391-V393 CarbonylContact O-C 3.53Å; S391-V393 VanDerWaalsContact O-C 3.26Å; S391-V393 PolarHBondContact O-N 3.18Å; V393-L395 WeakPolarHBondContact CG1-O 3.45Å; V393-Q422 PolarHBondContact O-NE2 3.14Å; V393-I460 HydrophobicContact CB-CD1 3.97Å; V393-I460 HydrophobicContact CG2-CD1 4.43Å; V393-T508 HydrophobicContact CG2-CG2 4.21Å
394	P	95.7	Very high	97.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.013	12%	0.119	C	C	.	.			trans	-79.5	-30.7	-165	32	-38.2	0	0	0	112.5	H75 S391 N421 Q422 W423 Y505 L509	H75-P394 HydrophobicContact CB-CB 3.69Å; H75-P394 HydrophobicContact CB-CG 4.26Å; S391-P394 WeakPolarHBondContact O-CA 3.28Å; S391-P394 WeakPolarHBondContact O-CD 3.26Å; S391-P394 VanDerWaalsContact O-N 3.1Å; P394-N421 CarbonylContact O-C 3.26Å; P394-N421 PolarHBondContact O-OD1 3.02Å; P394-Q422 WeakPolarHBondContact O-CA 3.31Å; P394-Q422 WeakPolarHBondContact O-CB 3.34Å; P394-Q422 PolarHBondContact O-N 3.42Å; P394-W423 HydrophobicContact CB-CB 4.13Å; P394-W423 HydrophobicContact CB-CE3 4.04Å; P394-W423 PolarHBondContact O-N 3.31Å; P394-W423 VanDerWaalsContact O-N 3.1Å; P394-Y505 HydrophobicContact CG-CE2 4.38Å; P394-L509 HydrophobicContact CB-CD1 3.99Å; P394-L509 HydrophobicContact CB-CG 4.46Å; P394-L509 HydrophobicContact CG-CD1 3.86Å; P394-L509 HydrophobicContact CG-CD2 3.93Å; P394-L509 HydrophobicContact CG-CG 3.8Å
395	L	95.4	Very high	97.1	Very high	24 Å²	24	21.1 Å²	21.1	13%	0.126	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-116.7	140.8	170.5	-59	-178.3	0	0	0	108.2	P74 H75 V393 F419 I420 N421	P74-L395 HydrophobicContact CB-CD1 4.11Å; H75-L395 HydrophobicContact CB-CD2 4.12Å; H75-L395 HydrophobicContact CB-CG 4.22Å; V393-L395 WeakPolarHBondContact CG1-O 3.45Å; L395-F419 HydrophobicContact CD1-CD2 4.44Å; L395-I420 WeakPolarHBondContact CA-O 3.26Å; L395-N421 HydrophobicContact CD2-CB 3.85Å
396	T	95.3	Very high	96.9	Very high	14 Å²	14	23.9 Å²	23.9	9%	0.086	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-69.2	165.6	169.8	70.3	0	0	0	0	110.2	H399 I420 Q422	T396-H399 PolarHBondContact OG1-CD2 3.18Å; T396-I420 HydrophobicContact CG2-CB 3.78Å; T396-I420 HydrophobicContact CG2-CG1 4.46Å; T396-I420 HydrophobicContact CG2-CG2 3.93Å; T396-I420 PolarHBondContact N-O 3.43Å; T396-I420 VanDerWaalsContact N-O 3.11Å; T396-I420 WeakPolarHBondContact OG1-CB 3.46Å; T396-Q422 HydrophobicContact CG2-CG 3.73Å
397	I	93.7	Very high	96.8	Very high	45 Å²	45	24 Å²	24	23%	0.231	14%	0.139	C	C	.	.	S	Bend	trans	-51.3	135.1	160.7	-60.5	171.5	0	0	0	108	R120 F126 A136 F137 H399	R120-I397 VanDerWaalsContact NH1-C 3.35Å; R120-I397 PolarHBondContact NH1-O 2.9Å; F126-I397 HydrophobicContact CZ-CG2 4.09Å; A136-I397 HydrophobicContact CB-CD1 4.42Å; F137-I397 HydrophobicContact CD1-CG2 3.91Å; F137-I397 HydrophobicContact CE1-CD1 3.91Å; F137-I397 HydrophobicContact CE1-CG1 4.25Å; F137-I397 HydrophobicContact CE1-CG2 3.83Å; F137-I397 HydrophobicContact CZ-CD1 4.03Å; I397-H399 PolarHBondContact O-CD2 2.86Å; I397-H399 PolarHBondContact O-N 3.33Å
398	P	95.3	Very high	96.5	Very high	25 Å²	25	28.1 Å²	28.1	16%	0.162	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-52.4	134.8	-178	-31.3	37.3	0	0	0	113.1	R120 P121 F123 V417 F419	R120-P398 WeakPolarHBondContact CD-O 3.5Å; R120-P398 PolarHBondContact NH1-O 3.32Å; P121-P398 WeakPolarHBondContact CD-O 3.22Å; P121-P398 HydrophobicContact CG-CB 3.95Å; F123-P398 HydrophobicContact CE2-CB 4.12Å; F123-P398 HydrophobicContact CE2-CG 4.12Å; P398-V417 HydrophobicContact CB-CG1 4.31Å; P398-F419 HydrophobicContact CB-CD1 4.11Å; P398-F419 HydrophobicContact CB-CE1 3.9Å; P398-F419 HydrophobicContact CG-CD1 4.14Å; P398-F419 HydrophobicContact CG-CE1 3.66Å
399	H	97.8	Very high	96.2	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	167.4	173.1	-77.8	-118	0	0	0	110.1	F117 G119 P121 T396 I397 I418	F117-H399 PolarHBondContact O-ND1 3.43Å; G119-H399 CarbonylContact O-C 3.28Å; G119-H399 WeakPolarHBondContact O-CA 3.27Å; P121-H399 WeakPolarHBondContact CG-O 3.24Å; T396-H399 PolarHBondContact OG1-CD2 3.18Å; I397-H399 PolarHBondContact O-CD2 2.86Å; I397-H399 PolarHBondContact O-N 3.33Å; H399-I418 HydrophobicContact CB-CB 3.92Å; H399-I418 PolarHBondContact N-O 3.42Å; H399-I418 PolarHBondContact O-N 2.92Å
400	S	97.3	Very high	96	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.5	170	-175.9	0	0	0	0	110.2	G119 T416	G119-S400 CarbonylContact C-O 3.12Å; G119-S400 WeakPolarHBondContact CA-O 3.4Å; G119-S400 PolarHBondContact N-O 3.19Å; G119-S400 PolarHBondContact O-N 2.97Å; S400-T416 VanDerWaalsContact CA-O 3.28Å; S400-T416 WeakPolarHBondContact CA-O 3.47Å
401	T	97.6	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.231	C	C	.	.			trans	-72.8	130.9	173.9	49.4	0	0	0	0	111	D116 F117 T405 I412 P413 K414 N415 T416 I418	D116-T401 CarbonylContact O-C 3.45Å; D116-T401 WeakPolarHBondContact O-CA 3.05Å; F117-T401 HydrophobicContact CD1-CG2 4.13Å; F117-T401 HydrophobicContact CE1-CG2 3.93Å; F117-T401 HydrophobicContact CZ-CG2 4.35Å; T401-T405 HydrophobicContact CG2-CG2 3.93Å; T401-I412 HydrophobicContact CG2-CG2 3.77Å; T401-P413 PolarHBondContact OG1-O 3.4Å; T401-K414 WeakPolarHBondContact OG1-CA 3.44Å; T401-N415 WeakPolarHBondContact O-CA 3.26Å; T401-N415 PolarHBondContact O-N 3.42Å; T401-N415 PolarHBondContact OG1-N 3.49Å; T401-N415 VanDerWaalsContact OG1-N 3.17Å; T401-T416 PolarHBondContact N-O 3.06Å; T401-T416 VanDerWaalsContact N-O 3.1Å; T401-T416 PolarHBondContact OG1-N 2.88Å; T401-I418 HydrophobicContact CG2-CD1 4.14Å; T401-I418 HydrophobicContact CG2-CG1 4.14Å
402	V	96.8	Very high	95.8	Very high	49 Å²	49	37.3 Å²	37.3	30%	0.297	23%	0.232	S	C	.	.	S	Bend	trans	-89	-15	179.3	-58.6	0	0	0	0	113.2	L115 D116 K414	L115-V402 VanDerWaalsContact O-CG2 3.24Å; L115-V402 WeakPolarHBondContact O-CG2 3.2Å; D116-V402 PolarHBondContact O-N 3.48Å; V402-K414 VanDerWaalsContact O-CD 3.29Å; V402-K414 WeakPolarHBondContact O-CD 3.48Å; V402-K414 WeakPolarHBondContact O-CE 3.44Å; V402-K414 WeakPolarHBondContact O-CG 3.49Å
403	T	96.6	Very high	95.7	Very high	63 Å²	63	39.4 Å²	39.4	39%	0.387	25%	0.246	S	C	.	.	S	Bend	trans	-146	163.8	177.9	-173.9	0	0	0	0	109.5	D116 T405	D116-T403 HydrophobicContact CB-CG2 4.19Å; T403-T405 PolarHBondContact O-N 3.49Å
404	D	96.9	Very high	95.6	Very high	116 Å²	116	43.4 Å²	43.4	62%	0.62	26%	0.261	S	S	*	.			trans	-60.6	130.6	165	-66.5	-10.8	0	0	0	108.2	P413 K414	D404-P413 WeakPolarHBondContact OD1-CA 3.36Å; D404-K414 WeakPolarHBondContact OD1-CB 3.43Å; D404-K414 PolarHBondContact OD1-N 3.17Å
405	T	96.8	Very high	95.6	Very high	20 Å²	20	48.7 Å²	48.7	12%	0.123	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-172.5	-176.6	-168.5	0	0	0	0	110.2	D116 F117 T401 T403 I412	D116-T405 HydrophobicContact CB-CG2 4.18Å; D116-T405 WeakPolarHBondContact OD2-CB 3.29Å; D116-T405 PolarHBondContact OD2-OG1 2.74Å; F117-T405 HydrophobicContact CE2-CG2 3.73Å; F117-T405 HydrophobicContact CZ-CG2 3.74Å; T401-T405 HydrophobicContact CG2-CG2 3.93Å; T403-T405 PolarHBondContact O-N 3.49Å; T405-I412 HydrophobicContact CG2-CB 4.09Å; T405-I412 PolarHBondContact N-O 3.42Å; T405-I412 PolarHBondContact O-N 2.85Å
406	S	95.8	Very high	95.6	Very high	58 Å²	58	48.1 Å²	48.1	41%	0.406	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.4	172.9	62.1	0	0	0	0	111.6	Q113 Y410	Q113-S406 VanDerWaalsContact CD-O 3.26Å; Q113-S406 PolarHBondContact NE2-O 3.39Å; Q113-S406 PolarHBondContact OE1-O 3.49Å; S406-Y410 CarbonylContact C-O 3.54Å; S406-Y410 WeakPolarHBondContact CA-O 3.4Å; S406-Y410 VanDerWaalsContact CB-O 3.26Å; S406-Y410 WeakPolarHBondContact CB-O 3.47Å
407	I	95.9	Very high	95.7	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130	177	-170.7	60.7	0	0	0	109.3	V88 L101 P108 A109 F117 G409 Y410 I412	V88-I407 HydrophobicContact CG1-CG2 3.96Å; V88-I407 HydrophobicContact CG2-CG2 4.39Å; L101-I407 HydrophobicContact CD2-CG2 4.22Å; P108-I407 HydrophobicContact CB-CD1 3.94Å; A109-I407 HydrophobicContact CB-CD1 3.92Å; A109-I407 HydrophobicContact CB-CG1 4.29Å; F117-I407 HydrophobicContact CZ-CB 4.14Å; F117-I407 HydrophobicContact CZ-CG2 4.41Å; I407-G409 PolarHBondContact O-N 2.99Å; I407-G409 VanDerWaalsContact O-N 3.14Å; I407-Y410 PolarHBondContact N-O 3.2Å; I407-Y410 WeakPolarHBondContact O-CB 3.22Å; I407-Y410 PolarHBondContact O-N 3.4Å; I407-I412 HydrophobicContact CG2-CD1 3.96Å; I407-I412 HydrophobicContact CG2-CG1 3.72Å
408	M	93.4	Very high	95.9	Very high	95 Å²	95	45.7 Å²	45.7	47%	0.468	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	38	-178.7	-56.7	-62.2	-84.6	0	0	113.7	V88 A105 Y410	V88-M408 HydrophobicContact CG2-CB 3.99Å; V88-M408 HydrophobicContact CG2-CG 3.81Å; A105-M408 HydrophobicContact CB-CG 3.94Å; M408-Y410 VanDerWaalsContact C-N 3.31Å; M408-Y410 HydrophobicContact CB-CD2 4.41Å; M408-Y410 PolarHBondContact O-N 2.9Å
409	G	91.4	Very high	96	Very high	79 Å²	79	45.7 Å²	45.7	81%	0.814	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-3.5	-179.7	0	0	0	0	0	115.4	I407	I407-G409 PolarHBondContact O-N 2.99Å; I407-G409 VanDerWaalsContact O-N 3.14Å
410	Y	95.2	Very high	96	Very high	76 Å²	76	45.6 Å²	45.6	30%	0.298	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.5	176.3	-59.5	-72.3	0	0	0	111.3	G54 L55 V88 S406 I407 M408	G54-Y410 VanDerWaalsContact O-CE1 3.28Å; G54-Y410 WeakPolarHBondContact O-CE1 3.39Å; L55-Y410 HydrophobicContact CD2-CD1 3.66Å; L55-Y410 HydrophobicContact CD2-CD2 3.69Å; L55-Y410 HydrophobicContact CD2-CE1 4.23Å; L55-Y410 HydrophobicContact CD2-CE2 4.25Å; L55-Y410 HydrophobicContact CD2-CG 3.35Å; L55-Y410 HydrophobicContact CG-CD1 4.06Å; L55-Y410 HydrophobicContact CG-CG 4.04Å; V88-Y410 HydrophobicContact CB-CD2 4.05Å; V88-Y410 HydrophobicContact CB-CE2 4.2Å; V88-Y410 HydrophobicContact CG1-CD2 4.06Å; S406-Y410 CarbonylContact C-O 3.54Å; S406-Y410 WeakPolarHBondContact CA-O 3.4Å; S406-Y410 VanDerWaalsContact CB-O 3.26Å; S406-Y410 WeakPolarHBondContact CB-O 3.47Å; I407-Y410 PolarHBondContact N-O 3.2Å; I407-Y410 WeakPolarHBondContact O-CB 3.22Å; I407-Y410 PolarHBondContact O-N 3.4Å; M408-Y410 VanDerWaalsContact C-N 3.31Å; M408-Y410 HydrophobicContact CB-CD2 4.41Å; M408-Y410 PolarHBondContact O-N 2.9Å
411	A	95.3	Very high	96	Very high	66 Å²	66	45.3 Å²	45.3	55%	0.545	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131	171.3	0	0	0	0	0	110.2	T52	T52-A411 WeakPolarHBondContact CG2-O 3.47Å
412	I	96.1	Very high	96	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.3	-179.7	-48	-61.2	0	0	0	108.4	L55 V99 T401 T405 I407 T416 I418	L55-I412 HydrophobicContact CD1-CD1 3.47Å; L55-I412 VanDerWaalsContact CD1-CD1 3.47Å; L55-I412 HydrophobicContact CG-CD1 4.39Å; V99-I412 HydrophobicContact CG1-CD1 4.33Å; V99-I412 HydrophobicContact CG2-CD1 4.35Å; T401-I412 HydrophobicContact CG2-CG2 3.77Å; T405-I412 HydrophobicContact CG2-CB 4.09Å; T405-I412 PolarHBondContact N-O 3.42Å; T405-I412 PolarHBondContact O-N 2.85Å; I407-I412 HydrophobicContact CG2-CD1 3.96Å; I407-I412 HydrophobicContact CG2-CG1 3.72Å; I412-T416 HydrophobicContact CG2-CG2 3.98Å; I412-I418 HydrophobicContact CG2-CD1 4.15Å
413	P	94.9	Very high	96.1	Very high	52 Å²	52	43.9 Å²	43.9	34%	0.338	26%	0.259	S	S	.	.			trans	-62.2	156.6	177.8	-22.9	33.2	0	0	0	112.4	T52 T401 D404 T416	T52-P413 HydrophobicContact CG2-CG 4.24Å; T401-P413 PolarHBondContact OG1-O 3.4Å; D404-P413 WeakPolarHBondContact OD1-CA 3.36Å; P413-T416 WeakPolarHBondContact O-CB 3.35Å; P413-T416 PolarHBondContact O-OG1 3.48Å
414	K	95.4	Very high	96.2	Very high	111 Å²	111	41.4 Å²	41.4	48%	0.483	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	149.1	167.4	-179.6	172.3	176.5	170.2	0	111.2	T401 V402 D404 T416	T401-K414 WeakPolarHBondContact OG1-CA 3.44Å; V402-K414 VanDerWaalsContact O-CD 3.29Å; V402-K414 WeakPolarHBondContact O-CD 3.48Å; V402-K414 WeakPolarHBondContact O-CE 3.44Å; V402-K414 WeakPolarHBondContact O-CG 3.49Å; D404-K414 WeakPolarHBondContact OD1-CB 3.43Å; D404-K414 PolarHBondContact OD1-N 3.17Å; K414-T416 PolarHBondContact O-N 3.37Å
415	N	94.8	Very high	96.2	Very high	113 Å²	113	36.8 Å²	36.8	60%	0.604	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	21.3	-179.8	-54.8	-35.2	0	0	0	114.2	T401	T401-N415 WeakPolarHBondContact O-CA 3.26Å; T401-N415 PolarHBondContact O-N 3.42Å; T401-N415 PolarHBondContact OG1-N 3.49Å; T401-N415 VanDerWaalsContact OG1-N 3.17Å
416	T	95.4	Very high	96.3	Very high	13 Å²	13	35.8 Å²	35.8	8%	0.08	21%	0.213	C	C	.	.			trans	-79.6	129.9	174	-59.9	0	0	0	0	109.2	V99 S400 T401 I412 P413 K414 I418	V99-T416 HydrophobicContact CB-CG2 4.32Å; V99-T416 HydrophobicContact CG2-CG2 3.65Å; S400-T416 VanDerWaalsContact CA-O 3.28Å; S400-T416 WeakPolarHBondContact CA-O 3.47Å; T401-T416 PolarHBondContact N-O 3.06Å; T401-T416 VanDerWaalsContact N-O 3.1Å; T401-T416 PolarHBondContact OG1-N 2.88Å; I412-T416 HydrophobicContact CG2-CG2 3.98Å; P413-T416 WeakPolarHBondContact O-CB 3.35Å; P413-T416 PolarHBondContact O-OG1 3.48Å; K414-T416 PolarHBondContact O-N 3.37Å; T416-I418 HydrophobicContact CG2-CD1 3.99Å; T416-I418 WeakPolarHBondContact O-CG1 3.45Å
417	V	96.8	Very high	96.4	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.6	176.5	-179.5	0	0	0	0	109.5	V98 V99 P121 F123 P398 F419	V98-V417 CarbonylContact C-O 3.4Å; V98-V417 WeakPolarHBondContact CA-O 3.09Å; V98-V417 HydrophobicContact CG1-CG1 4.23Å; V98-V417 HydrophobicContact CG2-CB 4.13Å; V98-V417 HydrophobicContact CG2-CG1 4.07Å; V99-V417 PolarHBondContact N-O 2.88Å; P121-V417 HydrophobicContact CB-CG2 3.96Å; P121-V417 HydrophobicContact CG-CB 4.3Å; P121-V417 HydrophobicContact CG-CG1 3.83Å; P121-V417 HydrophobicContact CG-CG2 3.92Å; F123-V417 HydrophobicContact CE1-CG2 4.12Å; F123-V417 HydrophobicContact CZ-CG1 4.01Å; F123-V417 HydrophobicContact CZ-CG2 4.18Å; P398-V417 HydrophobicContact CB-CG1 4.31Å; V417-F419 HydrophobicContact CG1-CD1 4.18Å; V417-F419 HydrophobicContact CG1-CE1 3.91Å
418	I	97.7	Very high	96.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.8	-177.3	-48.8	-60.7	0	0	0	110	V99 L101 F117 H399 T401 I412 T416 I420	V99-I418 HydrophobicContact CB-CD1 3.76Å; V99-I418 HydrophobicContact CG1-CD1 4.33Å; V99-I418 HydrophobicContact CG2-CD1 4.46Å; V99-I418 CarbonylContact O-C 3.29Å; V99-I418 VanDerWaalsContact O-CA 3.29Å; V99-I418 WeakPolarHBondContact O-CA 3.12Å; L101-I418 HydrophobicContact CD1-CG2 3.8Å; L101-I418 HydrophobicContact CG-CG2 3.82Å; F117-I418 HydrophobicContact CD1-CD1 4.48Å; F117-I418 HydrophobicContact CD1-CG1 3.92Å; F117-I418 HydrophobicContact CD1-CG2 4.23Å; F117-I418 HydrophobicContact CE1-CD1 4.11Å; F117-I418 HydrophobicContact CE1-CG1 4.05Å; F117-I418 HydrophobicContact CE1-CG2 4.44Å; H399-I418 HydrophobicContact CB-CB 3.92Å; H399-I418 PolarHBondContact N-O 3.42Å; H399-I418 PolarHBondContact O-N 2.92Å; T401-I418 HydrophobicContact CG2-CD1 4.14Å; T401-I418 HydrophobicContact CG2-CG1 4.14Å; I412-I418 HydrophobicContact CG2-CD1 4.15Å; T416-I418 HydrophobicContact CG2-CD1 3.99Å; T416-I418 WeakPolarHBondContact O-CG1 3.45Å; I418-I420 HydrophobicContact CG2-CD1 3.79Å
419	F	97.6	Very high	96.5	Very high	26 Å²	26	35.9 Å²	35.9	11%	0.114	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.9	168.9	-75.2	6.5	0	0	0	109.6	M91 L93 V98 V99 V100 L101 L395 P398 V417	M91-F419 HydrophobicContact CE-CD2 3.54Å; M91-F419 HydrophobicContact CE-CE2 3.68Å; L93-F419 HydrophobicContact CD1-CE2 3.99Å; L93-F419 HydrophobicContact CD1-CZ 4.03Å; V98-F419 HydrophobicContact CG1-CB 4.21Å; V98-F419 HydrophobicContact CG1-CD1 3.66Å; V98-F419 HydrophobicContact CG1-CD2 3.83Å; V98-F419 HydrophobicContact CG1-CE1 3.91Å; V98-F419 HydrophobicContact CG1-CE2 4.08Å; V98-F419 HydrophobicContact CG1-CG 3.62Å; V98-F419 HydrophobicContact CG1-CZ 4.12Å; V99-F419 PolarHBondContact O-N 3Å; V100-F419 WeakPolarHBondContact CA-O 3.46Å; V100-F419 HydrophobicContact CG1-CB 4.29Å; V100-F419 HydrophobicContact CG2-CB 4.32Å; L101-F419 PolarHBondContact N-O 2.83Å; L395-F419 HydrophobicContact CD1-CD2 4.44Å; P398-F419 HydrophobicContact CB-CD1 4.11Å; P398-F419 HydrophobicContact CB-CE1 3.9Å; P398-F419 HydrophobicContact CG-CD1 4.14Å; P398-F419 HydrophobicContact CG-CE1 3.66Å; V417-F419 HydrophobicContact CG1-CD1 4.18Å; V417-F419 HydrophobicContact CG1-CE1 3.91Å
420	I	98	Very high	96.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.3	175.9	-52.7	-61.1	0	0	0	108.2	L101 I106 L110 L395 T396 I418 Q422	L101-I420 HydrophobicContact CB-CD1 4Å; L101-I420 HydrophobicContact CD1-CD1 3.71Å; L101-I420 HydrophobicContact CG-CD1 4.1Å; I106-I420 HydrophobicContact CB-CG2 4.45Å; I106-I420 HydrophobicContact CD1-CG2 3.86Å; I106-I420 HydrophobicContact CG1-CG2 4.01Å; I106-I420 HydrophobicContact CG2-CG2 3.62Å; L110-I420 HydrophobicContact CD1-CD1 4.41Å; L110-I420 HydrophobicContact CD1-CG1 4.3Å; L110-I420 HydrophobicContact CD1-CG2 4.15Å; L110-I420 HydrophobicContact CD2-CD1 4.08Å; L110-I420 HydrophobicContact CD2-CG1 4.35Å; L110-I420 HydrophobicContact CG-CD1 4.36Å; L395-I420 WeakPolarHBondContact CA-O 3.26Å; T396-I420 HydrophobicContact CG2-CB 3.78Å; T396-I420 HydrophobicContact CG2-CG1 4.46Å; T396-I420 HydrophobicContact CG2-CG2 3.93Å; T396-I420 PolarHBondContact N-O 3.43Å; T396-I420 VanDerWaalsContact N-O 3.11Å; T396-I420 WeakPolarHBondContact OG1-CB 3.46Å; I418-I420 HydrophobicContact CG2-CD1 3.79Å; I420-Q422 PolarHBondContact O-N 3.17Å
421	N	98	Very high	96.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-90.5	89.4	-178.9	-172.2	3.6	0	0	0	111.6	H75 T79 L101 N102 I106 P394 L395 W423 S424	H75-N421 PolarHBondContact O-ND2 3.27Å; T79-N421 PolarHBondContact N-ND2 2.89Å; T79-N421 PolarHBondContact OG1-ND2 2.76Å; L101-N421 PolarHBondContact O-N 3.08Å; N102-N421 VanDerWaalsContact OD1-CB 3.24Å; N102-N421 WeakPolarHBondContact OD1-CB 3.43Å; N102-N421 PolarHBondContact OD1-ND2 3.49Å; I106-N421 WeakPolarHBondContact CD1-O 3.48Å; P394-N421 CarbonylContact O-C 3.26Å; P394-N421 PolarHBondContact O-OD1 3.02Å; L395-N421 HydrophobicContact CD2-CB 3.85Å; N421-W423 VanDerWaalsContact C-N 3.29Å; N421-W423 PolarHBondContact O-N 3.48Å; N421-W423 WeakPolarHBondContact OD1-CB 3.23Å; N421-W423 PolarHBondContact OD1-N 3.49Å; N421-S424 WeakPolarHBondContact O-CB 3.38Å; N421-S424 PolarHBondContact O-N 2.93Å; N421-S424 PolarHBondContact O-OG 3.47Å; N421-S424 PolarHBondContact OD1-N 3.42Å
422	Q	98.1	Very high	96.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-35.8	177.7	-60.7	-165.1	108.3	0	0	112.2	V393 P394 T396 I420 S424 I425 N426 L459 I460	V393-Q422 PolarHBondContact O-NE2 3.14Å; P394-Q422 WeakPolarHBondContact O-CA 3.31Å; P394-Q422 WeakPolarHBondContact O-CB 3.34Å; P394-Q422 PolarHBondContact O-N 3.42Å; T396-Q422 HydrophobicContact CG2-CG 3.73Å; I420-Q422 PolarHBondContact O-N 3.17Å; Q422-S424 PolarHBondContact O-N 3.43Å; Q422-I425 PolarHBondContact O-N 3.13Å; Q422-I425 VanDerWaalsContact O-N 3.08Å; Q422-N426 PolarHBondContact O-N 3.3Å; Q422-L459 HydrophobicContact CB-CD2 4.4Å; Q422-L459 HydrophobicContact CB-CG 4.23Å; Q422-L459 WeakPolarHBondContact CB-O 3.48Å; Q422-L459 HydrophobicContact CG-CD2 4.14Å; Q422-L459 HydrophobicContact CG-CG 3.97Å; Q422-I460 PolarHBondContact NE2-O 2.83Å; Q422-I460 VanDerWaalsContact OE1-C 3.26Å; Q422-I460 PolarHBondContact OE1-O 3.42Å
423	W	97.9	Very high	96.5	Very high	18 Å²	18	36.9 Å²	36.9	7%	0.068	22%	0.216	C	C	.	.	H	α-helix	trans	-55.2	-39.8	176.3	-174	-71.5	0	0	0	111.8	H75 L76 T390 P394 N421 I425 N426 H427 Y503 L509	H75-W423 HydrophobicContact CB-CB 4.25Å; H75-W423 AromaticContact CD2-CD2 3.4Å; H75-W423 VanDerWaalsContact CD2-CD2 3.4Å; H75-W423 AromaticContact CD2-CE3 3.38Å; H75-W423 AromaticContact CD2-CG 3.72Å; H75-W423 AromaticContact NE2-CE3 3.68Å; H75-W423 AromaticContact NE2-CZ3 3.84Å; L76-W423 HydrophobicContact CD2-CD2 4.49Å; L76-W423 HydrophobicContact CD2-CZ2 4.07Å; T390-W423 VanDerWaalsContact O-CZ3 3.28Å; T390-W423 WeakPolarHBondContact O-CZ3 3.37Å; P394-W423 HydrophobicContact CB-CB 4.13Å; P394-W423 HydrophobicContact CB-CE3 4.04Å; P394-W423 PolarHBondContact O-N 3.31Å; P394-W423 VanDerWaalsContact O-N 3.1Å; N421-W423 VanDerWaalsContact C-N 3.29Å; N421-W423 PolarHBondContact O-N 3.48Å; N421-W423 WeakPolarHBondContact OD1-CB 3.23Å; N421-W423 PolarHBondContact OD1-N 3.49Å; W423-I425 PolarHBondContact O-N 3.03Å; W423-N426 PolarHBondContact O-N 3.3Å; W423-H427 AromaticContact CD1-CG 3.89Å; W423-H427 AromaticContact CD1-ND1 3.64Å; W423-H427 AromaticContact CD2-CE1 3.8Å; W423-H427 AromaticContact CD2-ND1 3.72Å; W423-H427 AromaticContact CE2-CE1 3.53Å; W423-H427 AromaticContact CE2-CG 3.84Å; W423-H427 AromaticContact CE2-ND1 3.51Å; W423-H427 AromaticContact CE2-NE2 3.86Å; W423-H427 AromaticContact CG-ND1 3.82Å; W423-H427 AromaticContact CH2-CE1 3.97Å; W423-H427 AromaticContact CZ2-CE1 3.63Å; W423-H427 AromaticContact CZ2-NE2 3.6Å; W423-H427 AromaticContact NE1-CD2 3.92Å; W423-H427 AromaticContact NE1-CE1 3.91Å; W423-H427 AromaticContact NE1-CG 3.43Å; W423-H427 AromaticContact NE1-ND1 3.43Å; W423-H427 PolarHBondContact NE1-ND1 3.24Å; W423-H427 WeakPolarHBondContact O-CB 3.34Å; W423-H427 PolarHBondContact O-N 3.27Å; W423-H427 PolarHBondContact O-ND1 3.37Å; W423-Y503 AromaticContact CH2-CE1 3.91Å; W423-Y503 HydrophobicContact CH2-CE1 3.91Å; W423-Y503 HydrophobicContact CZ3-CE1 4.31Å; W423-L509 HydrophobicContact CE3-CD1 3.83Å; W423-L509 HydrophobicContact CZ3-CD1 3.42Å; W423-L509 VanDerWaalsContact CZ3-CD1 3.42Å
424	S	98	Very high	96.6	Very high	11 Å²	11	40.1 Å²	40.1	8%	0.077	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-31.4	-179.5	72.5	0	0	0	0	113.5	N102 G103 N421 Q422 D428	N102-S424 VanDerWaalsContact CA-OG 3.32Å; N102-S424 WeakPolarHBondContact CA-OG 3.24Å; N102-S424 WeakPolarHBondContact CB-OG 3.21Å; G103-S424 PolarHBondContact N-OG 3.24Å; N421-S424 WeakPolarHBondContact O-CB 3.38Å; N421-S424 PolarHBondContact O-N 2.93Å; N421-S424 PolarHBondContact O-OG 3.47Å; N421-S424 PolarHBondContact OD1-N 3.42Å; Q422-S424 PolarHBondContact O-N 3.43Å; S424-D428 WeakPolarHBondContact O-CB 3.39Å; S424-D428 PolarHBondContact O-N 3.03Å
425	I	97.8	Very high	96.7	Very high	19 Å²	19	35.6 Å²	35.6	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-76	-50.1	175.5	-73.7	-73.5	0	0	0	110.2	G103 I106 Q422 W423 H427 D428 M431 W432 L459	G103-I425 WeakPolarHBondContact O-CD1 3.29Å; I106-I425 HydrophobicContact CD1-CG1 3.92Å; Q422-I425 PolarHBondContact O-N 3.13Å; Q422-I425 VanDerWaalsContact O-N 3.08Å; W423-I425 PolarHBondContact O-N 3.03Å; I425-H427 PolarHBondContact O-N 3.39Å; I425-D428 PolarHBondContact O-N 3.49Å; I425-M431 HydrophobicContact CD1-CE 4.41Å; I425-M431 HydrophobicContact CG2-CE 4.45Å; I425-M431 HydrophobicContact CG2-SD 4.04Å; I425-W432 VanDerWaalsContact O-CD1 3.25Å; I425-W432 PolarHBondContact O-NE1 2.99Å; I425-L459 HydrophobicContact CB-CB 4.24Å; I425-L459 HydrophobicContact CB-CD2 4.24Å; I425-L459 HydrophobicContact CG1-CD2 3.96Å; I425-L459 HydrophobicContact CG2-CB 3.83Å; I425-L459 HydrophobicContact CG2-CD2 4.49Å
426	N	98.4	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.7	-15	-173.3	-67.1	-17.8	0	0	0	113.9	R388 S391 Q422 W423 W432 L459	R388-N426 HydrophobicContact CG-CB 3.85Å; R388-N426 WeakPolarHBondContact CG-O 3.18Å; R388-N426 PolarHBondContact NH1-O 2.96Å; R388-N426 WeakPolarHBondContact O-CB 3.49Å; S391-N426 WeakPolarHBondContact OG-CB 3.31Å; S391-N426 PolarHBondContact OG-ND2 3.16Å; Q422-N426 PolarHBondContact O-N 3.3Å; W423-N426 PolarHBondContact O-N 3.3Å; N426-W432 VanDerWaalsContact C-CD1 3.47Å; N426-W432 VanDerWaalsContact O-CD1 3.22Å; N426-W432 PolarHBondContact O-NE1 2.78Å; N426-L459 PolarHBondContact ND2-O 2.9Å; N426-L459 PolarHBondContact OD1-N 3.42Å
427	H	97.9	Very high	96.9	Very high	14 Å²	14	39.3 Å²	39.3	7%	0.065	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	16.7	178.6	-64.3	77.7	0	0	0	112.8	R388 F389 S391 W423 I425 P429 P435 E436	R388-H427 PolarHBondContact O-CE1 2.95Å; F389-H427 PolarHBondContact O-CE1 2.96Å; F389-H427 PolarHBondContact O-NE2 3.18Å; S391-H427 PolarHBondContact OG-CE1 3.29Å; W423-H427 AromaticContact CD1-CG 3.89Å; W423-H427 AromaticContact CD1-ND1 3.64Å; W423-H427 AromaticContact CD2-CE1 3.8Å; W423-H427 AromaticContact CD2-ND1 3.72Å; W423-H427 AromaticContact CE2-CE1 3.53Å; W423-H427 AromaticContact CE2-CG 3.84Å; W423-H427 AromaticContact CE2-ND1 3.51Å; W423-H427 AromaticContact CE2-NE2 3.86Å; W423-H427 AromaticContact CG-ND1 3.82Å; W423-H427 AromaticContact CH2-CE1 3.97Å; W423-H427 AromaticContact CZ2-CE1 3.63Å; W423-H427 AromaticContact CZ2-NE2 3.6Å; W423-H427 AromaticContact NE1-CD2 3.92Å; W423-H427 AromaticContact NE1-CE1 3.91Å; W423-H427 AromaticContact NE1-CG 3.43Å; W423-H427 AromaticContact NE1-ND1 3.43Å; W423-H427 PolarHBondContact NE1-ND1 3.24Å; W423-H427 WeakPolarHBondContact O-CB 3.34Å; W423-H427 PolarHBondContact O-N 3.27Å; W423-H427 PolarHBondContact O-ND1 3.37Å; I425-H427 PolarHBondContact O-N 3.39Å; H427-P429 VanDerWaalsContact O-CD 3.26Å; H427-P429 WeakPolarHBondContact O-CD 3.35Å; H427-P435 HydrophobicContact CB-CB 4.33Å; H427-E436 IonicContact CD2-OE1 3.75Å; H427-E436 IonicContact CD2-OE2 3.17Å
428	D	96.2	Very high	96.9	Very high	50 Å²	50	39.5 Å²	39.5	27%	0.267	23%	0.231	S	C	.	.			trans	-71.3	115	174.1	-169.8	-13.8	0	0	0	110	S424 I425 A430 M431 W432	S424-D428 WeakPolarHBondContact O-CB 3.39Å; S424-D428 PolarHBondContact O-N 3.03Å; I425-D428 PolarHBondContact O-N 3.49Å; D428-A430 PolarHBondContact O-N 3.03Å; D428-A430 VanDerWaalsContact O-N 3.17Å; D428-A430 VanDerWaalsContact OD1-CB 3.32Å; D428-A430 WeakPolarHBondContact OD1-CB 3.47Å; D428-A430 PolarHBondContact OD1-N 3.32Å; D428-M431 HydrophobicContact CB-CB 4.14Å; D428-M431 PolarHBondContact O-N 2.94Å; D428-W432 PolarHBondContact O-N 3.09Å
429	P	95.3	Very high	96.9	Very high	95 Å²	95	42.3 Å²	42.3	62%	0.617	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.9	177.6	28.5	-36.2	0	0	0	113.5	H427 M431 P435	H427-P429 VanDerWaalsContact O-CD 3.26Å; H427-P429 WeakPolarHBondContact O-CD 3.35Å; P429-M431 VanDerWaalsContact C-N 3.3Å; P429-P435 HydrophobicContact CB-CG 4.37Å
430	A	93.3	Very high	97	Very high	95 Å²	95	41.2 Å²	41.2	79%	0.785	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.5	171.7	0	0	0	0	0	112.7	D428	D428-A430 PolarHBondContact O-N 3.03Å; D428-A430 VanDerWaalsContact O-N 3.17Å; D428-A430 VanDerWaalsContact OD1-CB 3.32Å; D428-A430 WeakPolarHBondContact OD1-CB 3.47Å; D428-A430 PolarHBondContact OD1-N 3.32Å
431	M	93.8	Very high	97	Very high	65 Å²	65	45 Å²	45	32%	0.32	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-33.5	-179.6	-173.5	176.2	-66.8	0	0	112.6	I425 D428 P429 N457	I425-M431 HydrophobicContact CD1-CE 4.41Å; I425-M431 HydrophobicContact CG2-CE 4.45Å; I425-M431 HydrophobicContact CG2-SD 4.04Å; D428-M431 HydrophobicContact CB-CB 4.14Å; D428-M431 PolarHBondContact O-N 2.94Å; P429-M431 VanDerWaalsContact C-N 3.3Å; M431-N457 HydrophobicContact SD-CB 3.83Å
432	W	96.7	Very high	96.9	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.008	26%	0.264	C	S	.	.	S	Bend	trans	-125.8	123.4	-173.6	-47.5	100.6	0	0	0	110.8	R388 I425 N426 D428 N434 P435 F443 L454 N457 V458	R388-W432 VanDerWaalsContact CD-CD2 3.49Å; R388-W432 HydrophobicContact CG-CD2 4.28Å; R388-W432 HydrophobicContact CG-CH2 4.4Å; R388-W432 HydrophobicContact CG-CZ2 4.13Å; I425-W432 VanDerWaalsContact O-CD1 3.25Å; I425-W432 PolarHBondContact O-NE1 2.99Å; N426-W432 VanDerWaalsContact C-CD1 3.47Å; N426-W432 VanDerWaalsContact O-CD1 3.22Å; N426-W432 PolarHBondContact O-NE1 2.78Å; D428-W432 PolarHBondContact O-N 3.09Å; W432-N434 PolarHBondContact O-N 3.17Å; W432-P435 HydrophobicContact CB-CB 4.25Å; W432-P435 WeakPolarHBondContact O-CD 3.49Å; W432-F443 AromaticContact CH2-CE1 3.94Å; W432-F443 HydrophobicContact CH2-CE1 3.94Å; W432-F443 HydrophobicContact CH2-CZ 4.1Å; W432-F443 AromaticContact CZ3-CE1 3.59Å; W432-F443 HydrophobicContact CZ3-CE1 3.59Å; W432-F443 AromaticContact CZ3-CZ 3.7Å; W432-F443 HydrophobicContact CZ3-CZ 3.7Å; W432-L454 HydrophobicContact CE3-CD1 4.13Å; W432-L454 HydrophobicContact CH2-CD1 4.26Å; W432-L454 HydrophobicContact CH2-CG 4.48Å; W432-L454 HydrophobicContact CZ3-CD1 3.65Å; W432-L454 HydrophobicContact CZ3-CD2 4.41Å; W432-L454 HydrophobicContact CZ3-CG 3.79Å; W432-N457 HydrophobicContact CH2-CB 4.05Å; W432-N457 HydrophobicContact CZ2-CB 4.06Å; W432-V458 HydrophobicContact CH2-CG2 3.59Å; W432-V458 HydrophobicContact CZ2-CG2 4.17Å; W432-V458 HydrophobicContact CZ3-CG2 4.44Å
433	S	95.2	Very high	96.9	Very high	81 Å²	81	46.2 Å²	46.2	57%	0.566	26%	0.264	S	S	*	.	S	Bend	trans	-68.1	126.5	173.4	50.9	0	0	0	0	110.8	R442	S433-R442 VanDerWaalsContact O-CZ 3.31Å; S433-R442 PolarHBondContact O-NH1 3.42Å; S433-R442 PolarHBondContact O-NH2 2.91Å; S433-R442 VanDerWaalsContact O-NH2 3.11Å; S433-R442 PolarHBondContact OG-NH1 3.25Å
434	N	96.8	Very high	96.9	Very high	120 Å²	120	46.6 Å²	46.6	64%	0.642	27%	0.267	S	S	*	.	S	Bend	trans	49	64.9	-177.1	-53.9	-45.6	0	0	0	112.1	W432 E436 T437 R442	W432-N434 PolarHBondContact O-N 3.17Å; N434-E436 PolarHBondContact O-N 3.26Å; N434-E436 VanDerWaalsContact O-N 3.08Å; N434-T437 PolarHBondContact O-N 2.89Å; N434-R442 PolarHBondContact O-NH2 3.3Å
435	P	97	Very high	96.8	Very high	16 Å²	16	48.5 Å²	48.5	10%	0.104	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.8	-170.8	22.2	-31.6	0	0	0	113.7	R388 H427 P429 W432 T437	R388-P435 PolarHBondContact NH1-O 2.92Å; R388-P435 PolarHBondContact NH2-O 3.31Å; H427-P435 HydrophobicContact CB-CB 4.33Å; P429-P435 HydrophobicContact CB-CG 4.37Å; W432-P435 HydrophobicContact CB-CB 4.25Å; W432-P435 WeakPolarHBondContact O-CD 3.49Å; P435-T437 VanDerWaalsContact C-N 3.3Å
436	E	96.5	Very high	96.6	Very high	128 Å²	128	53.6 Å²	53.6	60%	0.598	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	4.7	179.1	-49.8	-57.9	146	0	0	113.3	F389 H427 N434	F389-E436 WeakPolarHBondContact CE2-O 3.46Å; H427-E436 IonicContact CD2-OE1 3.75Å; H427-E436 IonicContact CD2-OE2 3.17Å; N434-E436 PolarHBondContact O-N 3.26Å; N434-E436 VanDerWaalsContact O-N 3.08Å
437	T	97.3	Very high	96.4	Very high	76 Å²	76	61.1 Å²	61.1	47%	0.466	35%	0.346	S	S	.	.	S	Bend	trans	-103.8	129.5	173.3	-56.5	0	0	0	0	109.3	E385 R388 N434 P435 D439 R442	E385-T437 VanDerWaalsContact OE1-O 3.11Å; R388-T437 PolarHBondContact NH2-O 3.21Å; N434-T437 PolarHBondContact O-N 2.89Å; P435-T437 VanDerWaalsContact C-N 3.3Å; T437-D439 PolarHBondContact O-N 2.97Å; T437-R442 PolarHBondContact O-NH2 2.76Å
438	F	98.4	Very high	96.2	Very high	12 Å²	12	62 Å²	62	5%	0.053	36%	0.358	C	S	.	.			trans	-78.3	108.7	172.1	-173.7	-92.6	0	0	0	109.4	I343 Y347 I350 F382 E385 V386 F389 P440	I343-F438 HydrophobicContact CD1-CD2 4.09Å; I343-F438 HydrophobicContact CD1-CE2 3.68Å; I343-F438 HydrophobicContact CD1-CZ 4.16Å; I343-F438 HydrophobicContact CG2-CD1 3.87Å; I343-F438 HydrophobicContact CG2-CD2 4.4Å; I343-F438 HydrophobicContact CG2-CE1 3.36Å; I343-F438 HydrophobicContact CG2-CE2 3.98Å; I343-F438 HydrophobicContact CG2-CG 4.37Å; I343-F438 HydrophobicContact CG2-CZ 3.45Å; I343-F438 VanDerWaalsContact CG2-CZ 3.45Å; Y347-F438 HydrophobicContact CD2-CD1 4.13Å; Y347-F438 HydrophobicContact CE2-CB 4.04Å; Y347-F438 HydrophobicContact CE2-CD1 4.14Å; Y347-F438 HydrophobicContact CE2-CG 4.22Å; I350-F438 HydrophobicContact CD1-CD1 3.59Å; I350-F438 HydrophobicContact CD1-CE1 3.56Å; F382-F438 HydrophobicContact CD2-CE1 4.07Å; F382-F438 AromaticContact CD2-CZ 3.8Å; F382-F438 HydrophobicContact CD2-CZ 3.8Å; F382-F438 HydrophobicContact CE2-CE1 4.14Å; F382-F438 AromaticContact CE2-CZ 3.85Å; F382-F438 HydrophobicContact CE2-CZ 3.85Å; E385-F438 HydrophobicContact CB-CE2 3.93Å; E385-F438 HydrophobicContact CB-CZ 4.09Å; E385-F438 HydrophobicContact CG-CD2 3.63Å; E385-F438 HydrophobicContact CG-CE1 4.41Å; E385-F438 HydrophobicContact CG-CE2 3.48Å; E385-F438 VanDerWaalsContact CG-CE2 3.48Å; E385-F438 HydrophobicContact CG-CG 4.14Å; E385-F438 HydrophobicContact CG-CZ 3.89Å; V386-F438 HydrophobicContact CG2-CE2 3.95Å; V386-F438 HydrophobicContact CG2-CZ 3.92Å; F389-F438 HydrophobicContact CB-CD2 3.81Å; F389-F438 HydrophobicContact CB-CE2 4.38Å; F389-F438 HydrophobicContact CD1-CB 4.44Å; F389-F438 AromaticContact CD1-CD2 3.83Å; F389-F438 HydrophobicContact CD1-CD2 3.83Å; F389-F438 HydrophobicContact CD2-CB 4.19Å; F389-F438 HydrophobicContact CD2-CD2 4.45Å; F389-F438 HydrophobicContact CE2-CB 4.28Å; F389-F438 HydrophobicContact CG-CB 4.28Å; F389-F438 AromaticContact CG-CD2 3.77Å; F389-F438 HydrophobicContact CG-CD2 3.77Å; F389-F438 HydrophobicContact CZ-CB 4.45Å; F438-P440 HydrophobicContact CD1-CG 4.35Å; F438-P440 HydrophobicContact CE1-CG 3.61Å; F438-P440 HydrophobicContact CZ-CG 4.09Å
439	D	98	Very high	96.2	Very high	59 Å²	59	61.8 Å²	61.8	32%	0.316	36%	0.364	S	S	.	.			trans	-141.9	100.3	-178.7	-180	17	0	0	0	111.5	E385 T437 E441 R442	E385-D439 VanDerWaalsContact CD-O 3.29Å; E385-D439 PolarHBondContact OE1-N 2.9Å; T437-D439 PolarHBondContact O-N 2.97Å; D439-E441 PolarHBondContact O-N 3.46Å; D439-E441 WeakPolarHBondContact OD1-CB 3.37Å; D439-E441 WeakPolarHBondContact OD1-CG 3.4Å; D439-E441 PolarHBondContact OD1-N 2.78Å; D439-R442 VanDerWaalsContact O-CB 3.22Å; D439-R442 WeakPolarHBondContact O-CB 3.34Å; D439-R442 PolarHBondContact O-N 3.39Å
440	P	98.4	Very high	96.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.013	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-60.2	-27.6	174.1	-26.6	37	0	0	0	113.8	I350 Y378 A381 F382 F438 R442 F443	I350-P440 HydrophobicContact CD1-CG 4.1Å; I350-P440 HydrophobicContact CG2-CG 4.28Å; Y378-P440 HydrophobicContact CD2-CB 4.45Å; Y378-P440 HydrophobicContact CE2-CB 3.71Å; A381-P440 WeakPolarHBondContact CB-O 3.01Å; F382-P440 HydrophobicContact CB-CB 4.37Å; F382-P440 HydrophobicContact CB-CG 4.37Å; F382-P440 HydrophobicContact CD2-CG 4.25Å; F438-P440 HydrophobicContact CD1-CG 4.35Å; F438-P440 HydrophobicContact CE1-CG 3.61Å; F438-P440 HydrophobicContact CZ-CG 4.09Å; P440-R442 PolarHBondContact O-N 3.49Å; P440-R442 VanDerWaalsContact O-N 3.11Å; P440-F443 PolarHBondContact O-N 3.15Å; P440-F443 VanDerWaalsContact O-N 3.13Å
441	E	97.4	Very high	96.5	Very high	80 Å²	80	57.2 Å²	57.2	37%	0.374	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-61.3	-25.3	-177.2	-65.9	-80.6	-142.1	0	0	113	R353 D439 F443 L444	R353-E441 VanDerWaalsContact CZ-CD 3.46Å; R353-E441 IonicContact CZ-OE1 2.78Å; R353-E441 IonicContact CZ-OE2 3.14Å; R353-E441 IonicContact NH1-OE1 3.96Å; R353-E441 PolarHBondContact NH1-OE1 3.36Å; R353-E441 IonicContact NH1-OE2 2.59Å; R353-E441 PolarHBondContact NH1-OE2 3.4Å; R353-E441 IonicContact NH2-OE1 3.62Å; R353-E441 PolarHBondContact NH2-OE1 3.05Å; R353-E441 IonicContact NH2-OE2 2.91Å; R353-E441 PolarHBondContact NH2-OE2 3.24Å; D439-E441 PolarHBondContact O-N 3.46Å; D439-E441 WeakPolarHBondContact OD1-CB 3.37Å; D439-E441 WeakPolarHBondContact OD1-CG 3.4Å; D439-E441 PolarHBondContact OD1-N 2.78Å; E441-F443 PolarHBondContact O-N 2.87Å; E441-L444 PolarHBondContact O-N 2.92Å; E441-L444 WeakPolarHBondContact OE2-CD1 3.48Å
442	R	96.8	Very high	96.5	Very high	27 Å²	27	61.8 Å²	61.8	10%	0.102	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-46.2	-35.9	173.5	-177.5	-170.4	-49.3	-70.9	6	113.3	E385 S433 N434 T437 D439 P440 L454	E385-R442 IonicContact OE1-CZ 2.99Å; E385-R442 IonicContact OE1-NE 3.12Å; E385-R442 PolarHBondContact OE1-NE 3.05Å; E385-R442 IonicContact OE1-NH2 2.66Å; E385-R442 PolarHBondContact OE1-NH2 3.34Å; E385-R442 IonicContact OE2-NE 3.52Å; E385-R442 PolarHBondContact OE2-NE 3.38Å; S433-R442 VanDerWaalsContact O-CZ 3.31Å; S433-R442 PolarHBondContact O-NH1 3.42Å; S433-R442 PolarHBondContact O-NH2 2.91Å; S433-R442 VanDerWaalsContact O-NH2 3.11Å; S433-R442 PolarHBondContact OG-NH1 3.25Å; N434-R442 PolarHBondContact O-NH2 3.3Å; T437-R442 PolarHBondContact O-NH2 2.76Å; D439-R442 VanDerWaalsContact O-CB 3.22Å; D439-R442 WeakPolarHBondContact O-CB 3.34Å; D439-R442 PolarHBondContact O-N 3.39Å; P440-R442 PolarHBondContact O-N 3.49Å; P440-R442 VanDerWaalsContact O-N 3.11Å; R442-L454 HydrophobicContact CG-CD2 4.08Å; R442-L454 WeakPolarHBondContact O-CD2 3.42Å
443	F	98.1	Very high	96.4	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-94.8	4.5	-177	-62.4	-76.1	0	0	0	113.9	A381 E385 R388 W432 P440 E441 L450 N451 L454 A455 V458	A381-F443 HydrophobicContact CB-CB 3.87Å; E385-F443 HydrophobicContact CB-CD2 4.17Å; E385-F443 HydrophobicContact CB-CE2 3.79Å; E385-F443 WeakPolarHBondContact OE2-CE2 3.4Å; R388-F443 HydrophobicContact CB-CZ 4.43Å; W432-F443 AromaticContact CH2-CE1 3.94Å; W432-F443 HydrophobicContact CH2-CE1 3.94Å; W432-F443 HydrophobicContact CH2-CZ 4.1Å; W432-F443 AromaticContact CZ3-CE1 3.59Å; W432-F443 HydrophobicContact CZ3-CE1 3.59Å; W432-F443 AromaticContact CZ3-CZ 3.7Å; W432-F443 HydrophobicContact CZ3-CZ 3.7Å; P440-F443 PolarHBondContact O-N 3.15Å; P440-F443 VanDerWaalsContact O-N 3.13Å; E441-F443 PolarHBondContact O-N 2.87Å; F443-L450 HydrophobicContact CB-CD1 3.93Å; F443-L450 CarbonylContact O-C 3.47Å; F443-L450 WeakPolarHBondContact O-CA 3.48Å; F443-N451 PolarHBondContact O-N 3.09Å; F443-L454 HydrophobicContact CD1-CB 4.46Å; F443-L454 HydrophobicContact CD1-CD2 4.25Å; F443-L454 HydrophobicContact CD1-CG 4.13Å; F443-L454 HydrophobicContact CE1-CG 4.13Å; F443-A455 HydrophobicContact CD1-CB 4.16Å; F443-V458 HydrophobicContact CE1-CG2 3.7Å; F443-V458 HydrophobicContact CZ-CG2 3.6Å
444	L	97.9	Very high	96.5	Very high	26 Å²	26	66 Å²	66	14%	0.136	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-101.7	140.8	174.9	-63.1	-168.4	0	0	0	111	P377 Y378 A381 E441 A449	P377-L444 HydrophobicContact CB-CD2 4.04Å; Y378-L444 HydrophobicContact CD2-CD1 3.75Å; A381-L444 HydrophobicContact CB-CD2 3.8Å; A381-L444 HydrophobicContact CB-CG 4.07Å; E441-L444 PolarHBondContact O-N 2.92Å; E441-L444 WeakPolarHBondContact OE2-CD1 3.48Å; L444-A449 WeakPolarHBondContact CA-O 3.18Å
445	D	95.4	Very high	96.4	Very high	52 Å²	52	60.4 Å²	60.4	28%	0.278	33%	0.326	S	S	.	.			trans	-80.8	172.4	167.6	71.6	18	0	0	0	111	Q447 G448 A449	D445-Q447 PolarHBondContact O-N 2.74Å; D445-Q447 WeakPolarHBondContact OD1-CA 3.22Å; D445-Q447 WeakPolarHBondContact OD1-CB 3.32Å; D445-Q447 PolarHBondContact OD1-N 3.23Å; D445-G448 PolarHBondContact O-N 2.86Å; D445-G448 PolarHBondContact OD1-N 3.3Å; D445-A449 PolarHBondContact N-O 3.23Å; D445-A449 PolarHBondContact OD1-N 3.29Å
446	P	94.4	Very high	96.4	Very high	126 Å²	126	63.1 Å²	63.1	82%	0.818	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.3	179.3	-25.3	36	0	0	0	114.9
447	Q	93.6	Very high	96.3	Very high	158 Å²	158	59.4 Å²	59.4	74%	0.738	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-3.2	176.1	-67.7	69.4	38.9	0	0	112	D445 A449	D445-Q447 PolarHBondContact O-N 2.74Å; D445-Q447 WeakPolarHBondContact OD1-CA 3.22Å; D445-Q447 WeakPolarHBondContact OD1-CB 3.32Å; D445-Q447 PolarHBondContact OD1-N 3.23Å; Q447-A449 VanDerWaalsContact C-N 3.33Å
448	G	93.9	Very high	96.4	Very high	31 Å²	31	56.7 Å²	56.7	32%	0.32	32%	0.317	S	S	.	.	S	Bend	trans	80.4	11	-177.6	0	0	0	0	0	113.8	P377 D445	P377-G448 WeakPolarHBondContact CB-O 3.26Å; P377-G448 WeakPolarHBondContact CG-O 3.43Å; D445-G448 PolarHBondContact O-N 2.86Å; D445-G448 PolarHBondContact OD1-N 3.3Å
449	A	96.5	Very high	96.3	Very high	47 Å²	47	56.6 Å²	56.6	39%	0.388	32%	0.317	S	S	.	.			trans	-86.7	152.7	174.4	0	0	0	0	0	111.1	L444 D445 Q447 N451	L444-A449 WeakPolarHBondContact CA-O 3.18Å; D445-A449 PolarHBondContact N-O 3.23Å; D445-A449 PolarHBondContact OD1-N 3.29Å; Q447-A449 VanDerWaalsContact C-N 3.33Å; A449-N451 PolarHBondContact O-N 3.17Å
450	L	97.4	Very high	96.3	Very high	34 Å²	34	54.2 Å²	54.2	18%	0.178	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-68.4	122	-179.3	-174.6	77.2	0	0	0	111	P377 M380 A381 Y384 F443 K452	P377-L450 HydrophobicContact CB-CB 4.31Å; M380-L450 HydrophobicContact CB-CD1 4.25Å; M380-L450 HydrophobicContact CB-CD2 4.08Å; A381-L450 HydrophobicContact CB-CD1 4.04Å; Y384-L450 HydrophobicContact CD2-CD1 4.2Å; Y384-L450 HydrophobicContact CD2-CD2 4.27Å; Y384-L450 HydrophobicContact CE2-CD2 3.88Å; F443-L450 HydrophobicContact CB-CD1 3.93Å; F443-L450 CarbonylContact O-C 3.47Å; F443-L450 WeakPolarHBondContact O-CA 3.48Å; L450-K452 PolarHBondContact O-N 3.08Å
451	N	96.7	Very high	96.3	Very high	60 Å²	60	55.6 Å²	55.6	32%	0.321	31%	0.31	S	S	.	.			trans	-71	90.8	169.3	-173.4	-26	0	0	0	110.3	F443 A449 D453 L454 A455	F443-N451 PolarHBondContact O-N 3.09Å; A449-N451 PolarHBondContact O-N 3.17Å; N451-D453 VanDerWaalsContact C-N 3.31Å; N451-D453 PolarHBondContact O-N 3.45Å; N451-D453 PolarHBondContact OD1-N 2.65Å; N451-L454 HydrophobicContact CB-CB 4.19Å; N451-L454 PolarHBondContact O-N 3.17Å; N451-L454 WeakPolarHBondContact OD1-CB 3.13Å; N451-L454 PolarHBondContact OD1-N 3.29Å; N451-A455 WeakPolarHBondContact O-CB 3.34Å; N451-A455 PolarHBondContact O-N 3.4Å
452	K	94.8	Very high	96.2	Very high	161 Å²	161	52.3 Å²	52.3	70%	0.7	30%	0.296	S	S	*	.	H	α-helix	trans	-63.6	-33.6	-176.3	-65.9	178.9	-176.3	173.8	0	113.1	L450 A455 A456	L450-K452 PolarHBondContact O-N 3.08Å; K452-A455 PolarHBondContact O-N 3.38Å; K452-A456 WeakPolarHBondContact O-CB 3.45Å; K452-A456 PolarHBondContact O-N 3.27Å
453	D	94.6	Very high	96.2	Very high	133 Å²	133	52 Å²	52	71%	0.711	30%	0.296	S	S	*	.	H	α-helix	trans	-69.1	-43	-179.8	-68.4	-28.5	0	0	0	111	N451 A456 N457	N451-D453 VanDerWaalsContact C-N 3.31Å; N451-D453 PolarHBondContact O-N 3.45Å; N451-D453 PolarHBondContact OD1-N 2.65Å; D453-A456 PolarHBondContact O-N 3.01Å; D453-N457 PolarHBondContact O-ND2 3.32Å
454	L	95.6	Very high	96.1	Very high	38 Å²	38	53.6 Å²	53.6	20%	0.199	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-42	174.9	-171.6	62.9	0	0	0	111.5	W432 R442 F443 N451 A456 N457	W432-L454 HydrophobicContact CE3-CD1 4.13Å; W432-L454 HydrophobicContact CH2-CD1 4.26Å; W432-L454 HydrophobicContact CH2-CG 4.48Å; W432-L454 HydrophobicContact CZ3-CD1 3.65Å; W432-L454 HydrophobicContact CZ3-CD2 4.41Å; W432-L454 HydrophobicContact CZ3-CG 3.79Å; R442-L454 HydrophobicContact CG-CD2 4.08Å; R442-L454 WeakPolarHBondContact O-CD2 3.42Å; F443-L454 HydrophobicContact CD1-CB 4.46Å; F443-L454 HydrophobicContact CD1-CD2 4.25Å; F443-L454 HydrophobicContact CD1-CG 4.13Å; F443-L454 HydrophobicContact CE1-CG 4.13Å; N451-L454 HydrophobicContact CB-CB 4.19Å; N451-L454 PolarHBondContact O-N 3.17Å; N451-L454 WeakPolarHBondContact OD1-CB 3.13Å; N451-L454 PolarHBondContact OD1-N 3.29Å; L454-A456 VanDerWaalsContact C-N 3.25Å; L454-A456 PolarHBondContact O-N 2.55Å; L454-N457 WeakPolarHBondContact O-CB 3.29Å; L454-N457 PolarHBondContact O-N 3.04Å
455	A	96.5	Very high	96	Very high	3 Å²	3	59.2 Å²	59.2	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-34.7	175.2	0	0	0	0	0	112.5	Y384 F443 N451 K452 N457 V458	Y384-A455 HydrophobicContact CD1-CB 3.94Å; Y384-A455 HydrophobicContact CD2-CB 3.86Å; Y384-A455 HydrophobicContact CE1-CB 3.95Å; Y384-A455 HydrophobicContact CE2-CB 3.89Å; Y384-A455 HydrophobicContact CG-CB 3.91Å; F443-A455 HydrophobicContact CD1-CB 4.16Å; N451-A455 WeakPolarHBondContact O-CB 3.34Å; N451-A455 PolarHBondContact O-N 3.4Å; K452-A455 PolarHBondContact O-N 3.38Å; A455-N457 PolarHBondContact O-N 2.93Å; A455-V458 WeakPolarHBondContact O-CB 3.47Å; A455-V458 PolarHBondContact O-N 2.85Å; A455-V458 VanDerWaalsContact O-N 3.17Å
456	A	95.2	Very high	96.1	Very high	72 Å²	72	57.5 Å²	57.5	60%	0.595	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.2	176.2	0	0	0	0	0	114	K452 D453 L454	K452-A456 WeakPolarHBondContact O-CB 3.45Å; K452-A456 PolarHBondContact O-N 3.27Å; D453-A456 PolarHBondContact O-N 3.01Å; L454-A456 VanDerWaalsContact C-N 3.25Å; L454-A456 PolarHBondContact O-N 2.55Å
457	N	95.9	Very high	96.2	Very high	51 Å²	51	56.6 Å²	56.6	27%	0.273	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.2	173.3	-69	-36.6	0	0	0	113.3	R107 M431 W432 D453 L454 A455 L459	R107-N457 PolarHBondContact NH2-OD1 3.45Å; M431-N457 HydrophobicContact SD-CB 3.83Å; W432-N457 HydrophobicContact CH2-CB 4.05Å; W432-N457 HydrophobicContact CZ2-CB 4.06Å; D453-N457 PolarHBondContact O-ND2 3.32Å; L454-N457 WeakPolarHBondContact O-CB 3.29Å; L454-N457 PolarHBondContact O-N 3.04Å; A455-N457 PolarHBondContact O-N 2.93Å; N457-L459 PolarHBondContact O-N 3.33Å; N457-L459 VanDerWaalsContact O-N 3.16Å
458	V	98.2	Very high	96.4	Very high	19 Å²	19	51.7 Å²	51.7	12%	0.115	28%	0.284	C	S	.	.			trans	-65.1	115.9	172.9	-178.4	0	0	0	0	109.2	Y384 M387 R388 W432 F443 A455	Y384-V458 HydrophobicContact CD1-CB 4.4Å; Y384-V458 HydrophobicContact CD1-CG2 4.25Å; M387-V458 HydrophobicContact CB-CG1 4.01Å; R388-V458 HydrophobicContact CB-CG1 4.02Å; R388-V458 HydrophobicContact CB-CG2 4.04Å; R388-V458 HydrophobicContact CG-CG2 4.47Å; W432-V458 HydrophobicContact CH2-CG2 3.59Å; W432-V458 HydrophobicContact CZ2-CG2 4.17Å; W432-V458 HydrophobicContact CZ3-CG2 4.44Å; F443-V458 HydrophobicContact CE1-CG2 3.7Å; F443-V458 HydrophobicContact CZ-CG2 3.6Å; A455-V458 WeakPolarHBondContact O-CB 3.47Å; A455-V458 PolarHBondContact O-N 2.85Å; A455-V458 VanDerWaalsContact O-N 3.17Å
459	L	97.7	Very high	96.5	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.052	28%	0.276	C	S	.	.			trans	-104.3	95.9	-178.2	-174.9	61.1	0	0	0	109.9	I106 Q422 I425 N426 N457 L463	I106-L459 HydrophobicContact CD1-CD2 4.32Å; I106-L459 HydrophobicContact CG2-CD2 4Å; Q422-L459 HydrophobicContact CB-CD2 4.4Å; Q422-L459 HydrophobicContact CB-CG 4.23Å; Q422-L459 WeakPolarHBondContact CB-O 3.48Å; Q422-L459 HydrophobicContact CG-CD2 4.14Å; Q422-L459 HydrophobicContact CG-CG 3.97Å; I425-L459 HydrophobicContact CB-CB 4.24Å; I425-L459 HydrophobicContact CB-CD2 4.24Å; I425-L459 HydrophobicContact CG1-CD2 3.96Å; I425-L459 HydrophobicContact CG2-CB 3.83Å; I425-L459 HydrophobicContact CG2-CD2 4.49Å; N426-L459 PolarHBondContact ND2-O 2.9Å; N426-L459 PolarHBondContact OD1-N 3.42Å; N457-L459 PolarHBondContact O-N 3.33Å; N457-L459 VanDerWaalsContact O-N 3.16Å; L459-L463 HydrophobicContact CD1-CD1 4.11Å; L459-L463 HydrophobicContact CD1-CD2 4.27Å; L459-L463 HydrophobicContact CD1-CG 3.69Å
460	I	97.6	Very high	96.6	Very high	9 Å²	9	50 Å²	50	5%	0.046	26%	0.264	C	S	.	.	S	Bend	trans	-127.7	-24.4	174.3	-165.3	67.5	0	0	0	112.3	M387 F392 V393 Q422	M387-I460 HydrophobicContact CB-CB 4.41Å; M387-I460 HydrophobicContact CB-CG2 4.1Å; M387-I460 HydrophobicContact CG-CG2 4.21Å; M387-I460 HydrophobicContact SD-CG2 3.77Å; F392-I460 HydrophobicContact CD1-CD1 4.48Å; F392-I460 HydrophobicContact CE1-CD1 4.48Å; F392-I460 HydrophobicContact CE1-CG1 4.25Å; F392-I460 HydrophobicContact CZ-CG1 4.13Å; V393-I460 HydrophobicContact CB-CD1 3.97Å; V393-I460 HydrophobicContact CG2-CD1 4.43Å; Q422-I460 PolarHBondContact NE2-O 2.83Å; Q422-I460 VanDerWaalsContact OE1-C 3.26Å; Q422-I460 PolarHBondContact OE1-O 3.42Å
461	F	97.6	Very high	96.5	Very high	30 Å²	30	49 Å²	49	13%	0.132	26%	0.259	C	S	.	.	S	Bend	trans	-100.5	13.6	-178.3	-64.2	-71.9	0	0	0	113.7	M387 R467 C468 E471 K475	M387-F461 HydrophobicContact SD-CE2 3.63Å; M387-F461 HydrophobicContact SD-CZ 4.03Å; F461-R467 WeakPolarHBondContact O-CA 3.22Å; F461-C468 HydrophobicContact CB-CB 3.85Å; F461-C468 HydrophobicContact CD1-CB 3.68Å; F461-C468 HydrophobicContact CG-CB 4.22Å; F461-C468 PolarHBondContact O-N 3.29Å; F461-E471 HydrophobicContact CB-CB 4.3Å; F461-E471 HydrophobicContact CB-CG 4.32Å; F461-E471 HydrophobicContact CD1-CB 3.97Å; F461-E471 HydrophobicContact CD1-CG 4.24Å; F461-E471 HydrophobicContact CD2-CB 4.25Å; F461-E471 HydrophobicContact CD2-CG 3.62Å; F461-E471 HydrophobicContact CE1-CB 4.36Å; F461-E471 HydrophobicContact CE2-CG 3.94Å; F461-E471 HydrophobicContact CG-CB 3.91Å; F461-E471 HydrophobicContact CG-CG 3.8Å; F461-E471 HydrophobicContact CZ-CG 4.37Å; F461-K475 HydrophobicContact CE2-CG 4.37Å
462	S	96.9	Very high	96.5	Very high	12 Å²	12	50.5 Å²	50.5	8%	0.084	26%	0.264	C	S	.	.			trans	57.5	-171.4	-170.3	-167.5	0	0	0	0	113.4
463	L	96.5	Very high	96.5	Very high	20 Å²	20	43.1 Å²	43.1	11%	0.105	23%	0.232	C	C	.	.			trans	-134.9	167.3	-179.5	-65.3	170.9	0	0	0	111.3	R107 L110 I111 L459	R107-L463 HydrophobicContact CB-CD1 4.45Å; R107-L463 HydrophobicContact CG-CD1 4.41Å; L110-L463 HydrophobicContact CB-CB 3.93Å; L110-L463 HydrophobicContact CD1-CB 4.09Å; I111-L463 HydrophobicContact CD1-CD1 4.23Å; I111-L463 HydrophobicContact CG1-CB 4.19Å; I111-L463 HydrophobicContact CG1-CD1 4.44Å; L459-L463 HydrophobicContact CD1-CD1 4.11Å; L459-L463 HydrophobicContact CD1-CD2 4.27Å; L459-L463 HydrophobicContact CD1-CG 3.69Å
464	G	95.8	Very high	96.6	Very high	34 Å²	34	37.5 Å²	37.5	35%	0.351	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	68.2	-146	168.2	0	0	0	0	0	114.8	L110 R466 R467	L110-G464 VanDerWaalsContact O-CA 3.25Å; L110-G464 WeakPolarHBondContact O-CA 3.49Å; G464-R466 PolarHBondContact O-N 3.37Å; G464-R467 WeakPolarHBondContact O-CB 3.48Å; G464-R467 PolarHBondContact O-N 3.04Å
465	R	95.6	Very high	96.7	Very high	144 Å²	144	36.8 Å²	36.8	54%	0.543	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-63.2	-25	-171.2	-62.1	-62.1	-175.7	-179.6	-0.4	114	G114 L115 A118 R148	G114-R465 VanDerWaalsContact O-CG 3.31Å; G114-R465 WeakPolarHBondContact O-CG 3.22Å; L115-R465 HydrophobicContact CD2-CG 4.26Å; A118-R465 HydrophobicContact CB-CB 3.91Å; A118-R465 HydrophobicContact CB-CG 4.33Å; R148-R465 VanDerWaalsContact CZ-O 3.28Å; R148-R465 PolarHBondContact NE-O 3.37Å; R148-R465 PolarHBondContact NH2-O 3.5Å
466	R	96.4	Very high	96.7	Very high	15 Å²	15	37 Å²	37	6%	0.057	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-108	10.1	-178.4	-66.6	-71.5	-174.7	156.6	-1.2	113.8	A118 M135 A136 G138 W144 G464	A118-R466 PolarHBondContact O-NE 2.98Å; A118-R466 PolarHBondContact O-NH2 3.39Å; M135-R466 PolarHBondContact O-NH1 3.01Å; A136-R466 PolarHBondContact O-NH1 3.49Å; G138-R466 VanDerWaalsContact O-CZ 3.31Å; G138-R466 PolarHBondContact O-NH1 3.48Å; G138-R466 PolarHBondContact O-NH2 3.3Å; W144-R466 VanDerWaalsContact CZ2-NH1 3.26Å; G464-R466 PolarHBondContact O-N 3.37Å
467	R	97.1	Very high	96.8	Very high	107 Å²	107	33.6 Å²	33.6	40%	0.404	17%	0.171	S	C	.	.			trans	-51	143.9	174.2	-174	173.6	-171.4	162	6.1	111.7	R148 F461 G464 I469 E471	R148-R467 PolarHBondContact NH2-O 2.96Å; F461-R467 WeakPolarHBondContact O-CA 3.22Å; G464-R467 WeakPolarHBondContact O-CB 3.48Å; G464-R467 PolarHBondContact O-N 3.04Å; R467-I469 PolarHBondContact O-N 3.22Å; R467-E471 IonicContact CZ-OE1 3.98Å; R467-E471 IonicContact CZ-OE2 3.09Å; R467-E471 IonicContact NE-OE2 2.68Å; R467-E471 PolarHBondContact NE-OE2 3.04Å; R467-E471 VanDerWaalsContact NH2-CD 3.27Å; R467-E471 IonicContact NH2-OE1 2.96Å; R467-E471 PolarHBondContact NH2-OE1 3.01Å; R467-E471 IonicContact NH2-OE2 2.79Å; R467-E471 PolarHBondContact NH2-OE2 3.16Å
468	C	97.9	Very high	96.9	Very high	55 Å²	55	31.6 Å²	31.6	37%	0.372	16%	0.16	S	C	.	.			trans	-53.2	129.3	178.5	-174	0	0	0	0	111.2	F461 G470	F461-C468 HydrophobicContact CB-CB 3.85Å; F461-C468 HydrophobicContact CD1-CB 3.68Å; F461-C468 HydrophobicContact CG-CB 4.22Å; F461-C468 PolarHBondContact O-N 3.29Å; C468-G470 VanDerWaalsContact C-N 3.32Å; C468-G470 PolarHBondContact SG-N 3.31Å
469	I	97.1	Very high	96.9	Very high	28 Å²	28	30.7 Å²	30.7	14%	0.144	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.4	175.7	64.1	165.5	0	0	0	112.1	M135 A151 Q152 V155 I325 R467	M135-I469 HydrophobicContact CE-CD1 3.7Å; M135-I469 HydrophobicContact CE-CG1 4.5Å; M135-I469 HydrophobicContact SD-CD1 4.3Å; A151-I469 HydrophobicContact CB-CD1 3.98Å; Q152-I469 HydrophobicContact CB-CB 4.24Å; Q152-I469 HydrophobicContact CB-CG2 3.87Å; Q152-I469 HydrophobicContact CG-CB 4.25Å; Q152-I469 HydrophobicContact CG-CG2 4.05Å; V155-I469 WeakPolarHBondContact CG1-O 3.3Å; V155-I469 HydrophobicContact CG2-CD1 3.93Å; V155-I469 HydrophobicContact CG2-CG1 4.46Å; I325-I469 HydrophobicContact CG1-CD1 4.44Å; R467-I469 PolarHBondContact O-N 3.22Å
470	G	96.7	Very high	96.9	Very high	14 Å²	14	30.2 Å²	30.2	14%	0.144	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.8	178.9	0	0	0	0	0	114.9	C468 Q472 L473 S474	C468-G470 VanDerWaalsContact C-N 3.32Å; C468-G470 PolarHBondContact SG-N 3.31Å; G470-Q472 VanDerWaalsContact C-N 3.31Å; G470-Q472 PolarHBondContact O-N 3.27Å; G470-L473 PolarHBondContact O-N 3.18Å; G470-L473 VanDerWaalsContact O-N 3.11Å; G470-S474 WeakPolarHBondContact O-CB 3.48Å; G470-S474 PolarHBondContact O-N 2.93Å; G470-S474 PolarHBondContact O-OG 3.38Å; G470-S474 VanDerWaalsContact O-OG 3.07Å
471	E	96.6	Very high	97	Very high	15 Å²	15	29.9 Å²	29.9	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-49.6	-48.5	-172.8	171.4	175.7	171.4	0	0	113.5	F461 R467 K475	F461-E471 HydrophobicContact CB-CB 4.3Å; F461-E471 HydrophobicContact CB-CG 4.32Å; F461-E471 HydrophobicContact CD1-CB 3.97Å; F461-E471 HydrophobicContact CD1-CG 4.24Å; F461-E471 HydrophobicContact CD2-CB 4.25Å; F461-E471 HydrophobicContact CD2-CG 3.62Å; F461-E471 HydrophobicContact CE1-CB 4.36Å; F461-E471 HydrophobicContact CE2-CG 3.94Å; F461-E471 HydrophobicContact CG-CB 3.91Å; F461-E471 HydrophobicContact CG-CG 3.8Å; F461-E471 HydrophobicContact CZ-CG 4.37Å; R467-E471 IonicContact CZ-OE1 3.98Å; R467-E471 IonicContact CZ-OE2 3.09Å; R467-E471 IonicContact NE-OE2 2.68Å; R467-E471 PolarHBondContact NE-OE2 3.04Å; R467-E471 VanDerWaalsContact NH2-CD 3.27Å; R467-E471 IonicContact NH2-OE1 2.96Å; R467-E471 PolarHBondContact NH2-OE1 3.01Å; R467-E471 IonicContact NH2-OE2 2.79Å; R467-E471 PolarHBondContact NH2-OE2 3.16Å; E471-K475 HydrophobicContact CG-CD 4.14Å; E471-K475 WeakPolarHBondContact O-CB 3.23Å; E471-K475 WeakPolarHBondContact O-CG 3.31Å; E471-K475 PolarHBondContact O-N 2.85Å; E471-K475 IonicContact OE1-NZ 2.81Å; E471-K475 PolarHBondContact OE1-NZ 2.88Å
472	Q	95.4	Very high	97	Very high	90 Å²	90	28.5 Å²	28.5	42%	0.421	14%	0.144	S	C	.	.	H	α-helix	trans	-70.4	-43.1	-177.7	-62.5	-57.4	-36.3	0	0	111.5	G470 S474 K475 L476	G470-Q472 VanDerWaalsContact C-N 3.31Å; G470-Q472 PolarHBondContact O-N 3.27Å; Q472-S474 VanDerWaalsContact C-N 3.34Å; Q472-S474 PolarHBondContact O-N 2.96Å; Q472-K475 PolarHBondContact O-N 3.38Å; Q472-L476 VanDerWaalsContact O-CG 3.31Å; Q472-L476 WeakPolarHBondContact O-CG 3.5Å; Q472-L476 PolarHBondContact O-N 3.38Å
473	L	95.6	Very high	97.1	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-60	-44.9	176.6	-171.6	67.8	0	0	0	111.2	V155 F169 M208 M294 G470 L476 Q477	V155-L473 HydrophobicContact CG1-CB 4.43Å; V155-L473 HydrophobicContact CG1-CD2 4.36Å; F169-L473 HydrophobicContact CD1-CD1 4.4Å; F169-L473 HydrophobicContact CD2-CD1 3.61Å; F169-L473 HydrophobicContact CE1-CD1 4.28Å; F169-L473 HydrophobicContact CE2-CD1 3.47Å; F169-L473 VanDerWaalsContact CE2-CD1 3.47Å; F169-L473 HydrophobicContact CE2-CG 4.1Å; F169-L473 HydrophobicContact CG-CD1 4.09Å; F169-L473 HydrophobicContact CZ-CD1 3.83Å; F169-L473 HydrophobicContact CZ-CG 4.42Å; M208-L473 HydrophobicContact CE-CD2 4.25Å; M294-L473 HydrophobicContact CE-CD2 4.37Å; G470-L473 PolarHBondContact O-N 3.18Å; G470-L473 VanDerWaalsContact O-N 3.11Å; L473-L476 PolarHBondContact O-N 2.75Å; L473-Q477 PolarHBondContact O-N 3.27Å
474	S	96.9	Very high	97.2	Very high	15 Å²	15	27 Å²	27	11%	0.105	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-44.3	177.5	-59.1	0	0	0	0	112.3	G470 Q472 L476 Q477 L478	G470-S474 WeakPolarHBondContact O-CB 3.48Å; G470-S474 PolarHBondContact O-N 2.93Å; G470-S474 PolarHBondContact O-OG 3.38Å; G470-S474 VanDerWaalsContact O-OG 3.07Å; Q472-S474 VanDerWaalsContact C-N 3.34Å; Q472-S474 PolarHBondContact O-N 2.96Å; S474-L476 PolarHBondContact O-N 3.34Å; S474-Q477 PolarHBondContact O-N 2.7Å; S474-L478 WeakPolarHBondContact O-CB 3.36Å; S474-L478 VanDerWaalsContact O-CG 3.24Å; S474-L478 WeakPolarHBondContact O-CG 3.4Å; S474-L478 PolarHBondContact O-N 2.69Å
475	K	97.4	Very high	97.3	Very high	23 Å²	23	25.8 Å²	25.8	10%	0.1	12%	0.121	C	C	.	.	H	α-helix	trans	-61.2	-44	176.7	-77.1	175.3	176.2	177.7	0	111.6	Y384 F461 E471 Q472 L478 F479	Y384-K475 PolarHBondContact OH-NZ 2.63Å; Y384-K475 VanDerWaalsContact OH-NZ 3.17Å; F461-K475 HydrophobicContact CE2-CG 4.37Å; E471-K475 HydrophobicContact CG-CD 4.14Å; E471-K475 WeakPolarHBondContact O-CB 3.23Å; E471-K475 WeakPolarHBondContact O-CG 3.31Å; E471-K475 PolarHBondContact O-N 2.85Å; E471-K475 IonicContact OE1-NZ 2.81Å; E471-K475 PolarHBondContact OE1-NZ 2.88Å; Q472-K475 PolarHBondContact O-N 3.38Å; K475-L478 PolarHBondContact O-N 2.88Å; K475-F479 WeakPolarHBondContact O-CB 3.37Å; K475-F479 PolarHBondContact O-N 3.3Å
476	L	96.4	Very high	97.4	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.042	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-44.3	175.9	-69.8	-179	0	0	0	112.1	S159 F169 I370 Q472 L473 S474 L480	S159-L476 WeakPolarHBondContact O-CD1 3.23Å; F169-L476 HydrophobicContact CE1-CB 3.93Å; I370-L476 HydrophobicContact CG2-CD1 4.41Å; I370-L476 HydrophobicContact CG2-CD2 3.43Å; I370-L476 VanDerWaalsContact CG2-CD2 3.43Å; I370-L476 HydrophobicContact CG2-CG 4.44Å; Q472-L476 VanDerWaalsContact O-CG 3.31Å; Q472-L476 WeakPolarHBondContact O-CG 3.5Å; Q472-L476 PolarHBondContact O-N 3.38Å; L473-L476 PolarHBondContact O-N 2.75Å; S474-L476 PolarHBondContact O-N 3.34Å; L476-L480 WeakPolarHBondContact O-CB 3.32Å; L476-L480 PolarHBondContact O-N 2.8Å
477	Q	97.3	Very high	97.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-50.6	177.3	-165	166.5	-25.7	0	0	111.7	F169 V173 L333 L473 S474 L480 F481	F169-Q477 HydrophobicContact CZ-CB 3.81Å; F169-Q477 HydrophobicContact CZ-CG 4.26Å; V173-Q477 HydrophobicContact CG2-CG 4.17Å; L333-Q477 VanDerWaalsContact CD1-OE1 3.3Å; L473-Q477 PolarHBondContact O-N 3.27Å; S474-Q477 PolarHBondContact O-N 2.7Å; Q477-L480 PolarHBondContact O-N 3.22Å; Q477-F481 HydrophobicContact CG-CD2 3.92Å; Q477-F481 HydrophobicContact CG-CE2 4.16Å; Q477-F481 WeakPolarHBondContact O-CB 3.43Å; Q477-F481 WeakPolarHBondContact O-CD2 3.38Å; Q477-F481 PolarHBondContact O-N 3.01Å
478	L	98.4	Very high	97.6	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.042	8%	0.078	C	C	.	.	H	α-helix	trans	-66.7	-38.3	-177.7	-65.2	173.6	0	0	0	111.6	L333 A336 L337 I340 L383 S474 K475 T482	L333-L478 HydrophobicContact CD2-CD1 4.39Å; L333-L478 HydrophobicContact CD2-CD2 4.15Å; L333-L478 HydrophobicContact CD2-CG 4.06Å; A336-L478 HydrophobicContact CB-CD1 3.88Å; A336-L478 HydrophobicContact CB-CD2 3.68Å; A336-L478 HydrophobicContact CB-CG 4.46Å; L337-L478 HydrophobicContact CD2-CD2 3.87Å; L337-L478 HydrophobicContact CG-CD2 4.09Å; I340-L478 HydrophobicContact CD1-CB 4.43Å; I340-L478 HydrophobicContact CD1-CD2 3.92Å; L383-L478 HydrophobicContact CD1-CB 4.36Å; L383-L478 HydrophobicContact CD2-CB 4.01Å; S474-L478 WeakPolarHBondContact O-CB 3.36Å; S474-L478 VanDerWaalsContact O-CG 3.24Å; S474-L478 WeakPolarHBondContact O-CG 3.4Å; S474-L478 PolarHBondContact O-N 2.69Å; K475-L478 PolarHBondContact O-N 2.88Å; L478-T482 VanDerWaalsContact O-CB 3.25Å; L478-T482 WeakPolarHBondContact O-CB 3.2Å; L478-T482 PolarHBondContact O-N 2.94Å; L478-T482 PolarHBondContact O-OG1 2.88Å
479	F	98.6	Very high	97.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-56.8	-56.9	171.2	165.2	-99.1	0	0	0	111.3	S369 Q373 L376 V379 M380 L383 K475 F481 T482 A483	S369-F479 WeakPolarHBondContact O-CE1 3.48Å; Q373-F479 HydrophobicContact CB-CD1 4.08Å; Q373-F479 HydrophobicContact CB-CD2 4.21Å; Q373-F479 HydrophobicContact CB-CE1 3.72Å; Q373-F479 HydrophobicContact CB-CE2 3.85Å; Q373-F479 HydrophobicContact CB-CG 4.31Å; Q373-F479 HydrophobicContact CB-CZ 3.59Å; Q373-F479 HydrophobicContact CG-CD1 4.25Å; Q373-F479 HydrophobicContact CG-CD2 3.88Å; Q373-F479 HydrophobicContact CG-CE1 4.34Å; Q373-F479 HydrophobicContact CG-CE2 3.96Å; Q373-F479 HydrophobicContact CG-CG 4.03Å; Q373-F479 HydrophobicContact CG-CZ 4.2Å; L376-F479 HydrophobicContact CB-CE2 4.06Å; L376-F479 HydrophobicContact CD1-CE2 3.77Å; L376-F479 HydrophobicContact CD1-CZ 3.73Å; V379-F479 HydrophobicContact CB-CE2 4.5Å; V379-F479 HydrophobicContact CG1-CD2 3.77Å; V379-F479 HydrophobicContact CG1-CE2 4.04Å; M380-F479 HydrophobicContact CG-CD2 4.48Å; M380-F479 HydrophobicContact SD-CB 4.14Å; M380-F479 HydrophobicContact SD-CD2 3.7Å; M380-F479 HydrophobicContact SD-CG 4.2Å; L383-F479 VanDerWaalsContact CD1-CA 3.49Å; L383-F479 HydrophobicContact CD1-CB 3.99Å; K475-F479 WeakPolarHBondContact O-CB 3.37Å; K475-F479 PolarHBondContact O-N 3.3Å; F479-F481 PolarHBondContact O-N 3.27Å; F479-T482 PolarHBondContact O-N 2.88Å; F479-T482 VanDerWaalsContact O-N 3.15Å; F479-A483 HydrophobicContact CE2-CB 4.46Å; F479-A483 HydrophobicContact CZ-CB 4.41Å; F479-A483 WeakPolarHBondContact O-CB 3.24Å; F479-A483 PolarHBondContact O-N 2.7Å
480	L	97.9	Very high	97.6	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-64.4	-43.1	-174.9	-173.9	60.1	0	0	0	111.4	E170 V173 P368 I370 L476 Q477 T482 A483 L484	E170-L480 HydrophobicContact CB-CD2 4.26Å; E170-L480 HydrophobicContact CG-CD2 3.74Å; V173-L480 HydrophobicContact CB-CD2 3.7Å; V173-L480 HydrophobicContact CG1-CB 4.16Å; V173-L480 HydrophobicContact CG1-CD2 3.51Å; V173-L480 HydrophobicContact CG1-CG 3.82Å; V173-L480 HydrophobicContact CG2-CD2 4.38Å; P368-L480 WeakPolarHBondContact O-CD1 3.29Å; I370-L480 HydrophobicContact CG1-CD2 4.25Å; L476-L480 WeakPolarHBondContact O-CB 3.32Å; L476-L480 PolarHBondContact O-N 2.8Å; Q477-L480 PolarHBondContact O-N 3.22Å; L480-T482 PolarHBondContact O-N 3.32Å; L480-A483 PolarHBondContact O-N 3.04Å; L480-L484 HydrophobicContact CD1-CD1 4.17Å; L480-L484 HydrophobicContact CD1-CG 4.31Å; L480-L484 HydrophobicContact CG-CD1 3.93Å; L480-L484 VanDerWaalsContact O-CB 3.29Å; L480-L484 WeakPolarHBondContact O-CB 3.22Å; L480-L484 WeakPolarHBondContact O-CD1 3.36Å; L480-L484 WeakPolarHBondContact O-CG 3.26Å; L480-L484 PolarHBondContact O-N 2.84Å
481	F	97.9	Very high	97.7	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-58.4	-45.6	173	-99.8	-85.8	0	0	0	112.3	V173 F177 L180 V207 L337 Q477 F479 L484 L485	V173-F481 HydrophobicContact CG1-CD2 3.67Å; V173-F481 HydrophobicContact CG1-CE2 3.68Å; F177-F481 HydrophobicContact CB-CE1 4.31Å; F177-F481 AromaticContact CD2-CD1 3.76Å; F177-F481 HydrophobicContact CD2-CD1 3.76Å; F177-F481 AromaticContact CD2-CE1 3.92Å; F177-F481 HydrophobicContact CD2-CE1 3.92Å; F177-F481 HydrophobicContact CE2-CD1 4.49Å; L180-F481 HydrophobicContact CD2-CE1 4Å; V207-F481 HydrophobicContact CG2-CE2 4.19Å; V207-F481 HydrophobicContact CG2-CZ 4.43Å; L337-F481 HydrophobicContact CD1-CD1 4.31Å; L337-F481 HydrophobicContact CD1-CE1 4.36Å; L337-F481 HydrophobicContact CD1-CG 4.42Å; L337-F481 HydrophobicContact CD2-CB 3.8Å; L337-F481 HydrophobicContact CD2-CD1 4.2Å; L337-F481 HydrophobicContact CD2-CG 3.96Å; Q477-F481 HydrophobicContact CG-CD2 3.92Å; Q477-F481 HydrophobicContact CG-CE2 4.16Å; Q477-F481 WeakPolarHBondContact O-CB 3.43Å; Q477-F481 WeakPolarHBondContact O-CD2 3.38Å; Q477-F481 PolarHBondContact O-N 3.01Å; F479-F481 PolarHBondContact O-N 3.27Å; F481-L484 PolarHBondContact O-N 2.83Å; F481-L485 WeakPolarHBondContact O-CB 3.47Å; F481-L485 VanDerWaalsContact O-CG 3.28Å; F481-L485 WeakPolarHBondContact O-CG 3.41Å; F481-L485 PolarHBondContact O-N 2.84Å
482	T	98.7	Very high	97.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.2	-42.9	-177.8	-57	0	0	0	0	111.5	V379 F382 L478 F479 L480 L484 L485 A486	V379-T482 HydrophobicContact CG1-CG2 4.12Å; F382-T482 HydrophobicContact CD1-CG2 3.86Å; F382-T482 HydrophobicContact CE1-CG2 3.79Å; L478-T482 VanDerWaalsContact O-CB 3.25Å; L478-T482 WeakPolarHBondContact O-CB 3.2Å; L478-T482 PolarHBondContact O-N 2.94Å; L478-T482 PolarHBondContact O-OG1 2.88Å; F479-T482 PolarHBondContact O-N 2.88Å; F479-T482 VanDerWaalsContact O-N 3.15Å; L480-T482 PolarHBondContact O-N 3.32Å; T482-L484 VanDerWaalsContact C-N 3.35Å; T482-L485 PolarHBondContact O-N 2.98Å; T482-A486 WeakPolarHBondContact O-CB 3.11Å; T482-A486 PolarHBondContact O-N 2.8Å
483	A	98.6	Very high	97.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.5	-42.5	175.8	0	0	0	0	0	111.2	P368 L376 F479 L480 A486 H487	P368-A483 HydrophobicContact CB-CB 3.83Å; P368-A483 HydrophobicContact CG-CB 4.29Å; L376-A483 HydrophobicContact CD1-CB 4.45Å; F479-A483 HydrophobicContact CE2-CB 4.46Å; F479-A483 HydrophobicContact CZ-CB 4.41Å; F479-A483 WeakPolarHBondContact O-CB 3.24Å; F479-A483 PolarHBondContact O-N 2.7Å; L480-A483 PolarHBondContact O-N 3.04Å; A483-A486 PolarHBondContact O-N 2.97Å; A483-H487 VanDerWaalsContact O-CB 3.27Å; A483-H487 WeakPolarHBondContact O-CB 3.48Å; A483-H487 PolarHBondContact O-N 2.83Å
484	L	98.4	Very high	97.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-66.1	-41.5	175.6	-72.1	168.4	0	0	0	112.4	L174 F177 L367 L480 F481 T482 H487 Q488 L527	L174-L484 HydrophobicContact CD1-CD1 4.33Å; L174-L484 HydrophobicContact CD1-CD2 4.21Å; F177-L484 HydrophobicContact CB-CD1 3.96Å; F177-L484 HydrophobicContact CD1-CB 3.86Å; F177-L484 HydrophobicContact CD1-CD1 4.05Å; F177-L484 HydrophobicContact CD1-CG 4.38Å; F177-L484 HydrophobicContact CD2-CB 3.85Å; F177-L484 HydrophobicContact CD2-CD1 4.28Å; F177-L484 HydrophobicContact CE1-CB 3.71Å; F177-L484 HydrophobicContact CE2-CB 3.69Å; F177-L484 HydrophobicContact CG-CB 3.93Å; F177-L484 HydrophobicContact CG-CD1 3.81Å; F177-L484 HydrophobicContact CG-CG 4.45Å; F177-L484 VanDerWaalsContact CZ-C 3.42Å; F177-L484 HydrophobicContact CZ-CB 3.63Å; F177-L484 WeakPolarHBondContact CZ-O 3.27Å; L367-L484 HydrophobicContact CB-CD2 4.38Å; L367-L484 HydrophobicContact CD2-CD2 4.13Å; L480-L484 HydrophobicContact CD1-CD1 4.17Å; L480-L484 HydrophobicContact CD1-CG 4.31Å; L480-L484 HydrophobicContact CG-CD1 3.93Å; L480-L484 VanDerWaalsContact O-CB 3.29Å; L480-L484 WeakPolarHBondContact O-CB 3.22Å; L480-L484 WeakPolarHBondContact O-CD1 3.36Å; L480-L484 WeakPolarHBondContact O-CG 3.26Å; L480-L484 PolarHBondContact O-N 2.84Å; F481-L484 PolarHBondContact O-N 2.83Å; T482-L484 VanDerWaalsContact C-N 3.35Å; L484-H487 PolarHBondContact O-N 2.77Å; L484-Q488 VanDerWaalsContact O-CB 3.26Å; L484-Q488 WeakPolarHBondContact O-CB 3.24Å; L484-Q488 WeakPolarHBondContact O-CG 3.39Å; L484-Q488 PolarHBondContact O-N 3.33Å; L484-L527 HydrophobicContact CD2-CD2 4.4Å
485	L	98.3	Very high	97.4	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-58.2	-51.1	173.3	-75.6	173.8	0	0	0	110.8	F177 I340 I341 L344 F481 T482 H487 Q488 C489 I491	F177-L485 HydrophobicContact CE2-CB 4.48Å; F177-L485 HydrophobicContact CE2-CD2 3.64Å; F177-L485 HydrophobicContact CE2-CG 3.8Å; F177-L485 HydrophobicContact CZ-CD2 4.15Å; F177-L485 HydrophobicContact CZ-CG 4.47Å; I340-L485 HydrophobicContact CG2-CD1 4.32Å; I341-L485 HydrophobicContact CG1-CD1 4.17Å; L344-L485 HydrophobicContact CD1-CD1 4.39Å; F481-L485 WeakPolarHBondContact O-CB 3.47Å; F481-L485 VanDerWaalsContact O-CG 3.28Å; F481-L485 WeakPolarHBondContact O-CG 3.41Å; F481-L485 PolarHBondContact O-N 2.84Å; T482-L485 PolarHBondContact O-N 2.98Å; L485-H487 VanDerWaalsContact C-N 3.32Å; L485-H487 PolarHBondContact O-N 3.21Å; L485-Q488 PolarHBondContact O-N 2.83Å; L485-C489 PolarHBondContact O-N 3.33Å; L485-C489 VanDerWaalsContact O-N 3.09Å; L485-C489 VanDerWaalsContact O-O 3.13Å; L485-C489 PolarHBondContact O-SG 2.92Å; L485-C489 VanDerWaalsContact O-SG 3.4Å; L485-I491 HydrophobicContact CD2-CD1 4.14Å
486	A	98.3	Very high	97	Very high	6 Å²	6	23.5 Å²	23.5	5%	0.05	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-41.2	178	0	0	0	0	0	111.6	L354 Q355 V358 T482 A483 R521	L354-A486 HydrophobicContact CB-CB 4.01Å; Q355-A486 HydrophobicContact CG-CB 4.36Å; Q355-A486 VanDerWaalsContact CG-O 3.26Å; Q355-A486 WeakPolarHBondContact CG-O 3.43Å; V358-A486 HydrophobicContact CG2-CB 4.11Å; T482-A486 WeakPolarHBondContact O-CB 3.11Å; T482-A486 PolarHBondContact O-N 2.8Å; A483-A486 PolarHBondContact O-N 2.97Å; A486-R521 WeakPolarHBondContact O-CD 3.26Å; A486-R521 PolarHBondContact O-NH1 3.31Å
487	H	98.2	Very high	96.7	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-48.1	179.1	-171.5	-78.3	0	0	0	111.8	V358 D363 R364 R366 P368 A483 L484 L485	V358-H487 HydrophobicContact CG1-CB 3.84Å; D363-H487 PolarHBondContact O-NE2 2.95Å; R364-H487 PolarHBondContact NH1-CD2 2.88Å; R364-H487 PolarHBondContact NH1-CE1 3.45Å; R364-H487 VanDerWaalsContact NH1-CE1 3.3Å; R364-H487 VanDerWaalsContact NH1-CG 3.28Å; R364-H487 PolarHBondContact NH1-ND1 3.31Å; R364-H487 PolarHBondContact NH1-NE2 2.66Å; R364-H487 PolarHBondContact NH1-O 3.44Å; R366-H487 PolarHBondContact O-NE2 3Å; P368-H487 HydrophobicContact CG-CB 3.81Å; A483-H487 VanDerWaalsContact O-CB 3.27Å; A483-H487 WeakPolarHBondContact O-CB 3.48Å; A483-H487 PolarHBondContact O-N 2.83Å; L484-H487 PolarHBondContact O-N 2.77Å; L485-H487 VanDerWaalsContact C-N 3.32Å; L485-H487 PolarHBondContact O-N 3.21Å
488	Q	98.1	Very high	96.3	Very high	8 Å²	8	38 Å²	38	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-96	-27.8	-161.1	-67.2	-70.4	-33.1	0	0	114.4	F177 L181 L367 L484 L485 R521 L527	F177-Q488 HydrophobicContact CE1-CB 4.07Å; F177-Q488 HydrophobicContact CE1-CG 4.03Å; F177-Q488 HydrophobicContact CZ-CB 4.26Å; L181-Q488 HydrophobicContact CD2-CB 3.75Å; L367-Q488 HydrophobicContact CD2-CG 4.44Å; L484-Q488 VanDerWaalsContact O-CB 3.26Å; L484-Q488 WeakPolarHBondContact O-CB 3.24Å; L484-Q488 WeakPolarHBondContact O-CG 3.39Å; L484-Q488 PolarHBondContact O-N 3.33Å; L485-Q488 PolarHBondContact O-N 2.83Å; Q488-R521 PolarHBondContact O-N 2.99Å; Q488-L527 HydrophobicContact CB-CD1 4.26Å; Q488-L527 HydrophobicContact CG-CD1 3.84Å; Q488-L527 HydrophobicContact CG-CD2 4.18Å; Q488-L527 HydrophobicContact CG-CG 4.08Å
489	C	97.6	Very high	96.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	165.1	-170.5	70	0	0	0	0	114.3	L181 Q355 L485 V518 S519	L181-C489 HydrophobicContact CD1-CB 3.74Å; Q355-C489 PolarHBondContact NE2-O 3.18Å; Q355-C489 VanDerWaalsContact NE2-O 3.15Å; L485-C489 PolarHBondContact O-N 3.33Å; L485-C489 VanDerWaalsContact O-N 3.09Å; L485-C489 VanDerWaalsContact O-O 3.13Å; L485-C489 PolarHBondContact O-SG 2.92Å; L485-C489 VanDerWaalsContact O-SG 3.4Å; C489-V518 HydrophobicContact CB-CG1 3.75Å; C489-S519 CarbonylContact C-O 3.51Å; C489-S519 VanDerWaalsContact CA-O 3.29Å; C489-S519 WeakPolarHBondContact CA-O 3.38Å; C489-S519 WeakPolarHBondContact CB-O 3.31Å
490	R	98.3	Very high	95.9	Very high	124 Å²	124	41.3 Å²	41.3	47%	0.468	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.2	166	-174.5	175.1	-176	158.5	2.7	107.9	T492 V518 S519	R490-T492 HydrophobicContact CG-CG2 4.34Å; R490-V518 WeakPolarHBondContact O-CA 3.27Å; R490-S519 PolarHBondContact N-O 2.72Å; R490-S519 PolarHBondContact O-N 3.35Å
491	I	98.3	Very high	95.8	Very high	3 Å²	3	43 Å²	43	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.9	178.2	-42.4	177.8	0	0	0	107.9	I341 L344 V345 Q351 L485 I516 A517 V518	I341-I491 HydrophobicContact CG1-CD1 4.14Å; I341-I491 HydrophobicContact CG2-CD1 4.35Å; I341-I491 HydrophobicContact CG2-CG2 4.32Å; L344-I491 HydrophobicContact CD1-CD1 4.29Å; V345-I491 HydrophobicContact CG1-CB 3.88Å; V345-I491 HydrophobicContact CG1-CG2 3.32Å; Q351-I491 PolarHBondContact NE2-O 3.04Å; Q351-I491 PolarHBondContact OE1-O 3.25Å; L485-I491 HydrophobicContact CD2-CD1 4.14Å; I491-I516 HydrophobicContact CG2-CB 3.91Å; I491-I516 HydrophobicContact CG2-CD1 3.95Å; I491-I516 HydrophobicContact CG2-CG1 4.47Å; I491-I516 HydrophobicContact CG2-CG2 4.11Å; I491-A517 WeakPolarHBondContact CA-O 3.21Å; I491-V518 HydrophobicContact CG2-CG2 4.2Å
492	T	97.6	Very high	95.7	Very high	56 Å²	56	47.6 Å²	47.6	34%	0.344	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	168.1	178	57	0	0	0	0	109.6	R490 I516 A517	R490-T492 HydrophobicContact CG-CG2 4.34Å; T492-I516 CarbonylContact O-C 3.52Å; T492-I516 VanDerWaalsContact O-CA 3.23Å; T492-I516 WeakPolarHBondContact O-CA 3.47Å; T492-A517 PolarHBondContact N-O 3.29Å; T492-A517 PolarHBondContact O-N 2.64Å; T492-A517 PolarHBondContact OG1-O 2.86Å
493	T	96.2	Very high	95.5	Very high	27 Å²	27	50 Å²	50	17%	0.166	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	172.2	173.4	-165.5	0	0	0	0	109.8	P495 L499 A515	T493-P495 VanDerWaalsContact O-CD 3.31Å; T493-P495 WeakPolarHBondContact O-CD 3.48Å; T493-L499 HydrophobicContact CG2-CD1 3.66Å; T493-L499 HydrophobicContact CG2-CG 4.06Å; T493-A515 PolarHBondContact OG1-O 3.34Å
494	D	93.6	Very high	95.1	Very high	31 Å²	31	54 Å²	54	17%	0.166	29%	0.286	C	S	.	.			trans	-68	113.6	172.9	-177.2	-0.4	0	0	0	109.7	Y193 A496 K497	Y193-D494 HydrophobicContact CD1-CB 4.23Å; Y193-D494 HydrophobicContact CD2-CB 3.95Å; Y193-D494 HydrophobicContact CE1-CB 4.15Å; Y193-D494 HydrophobicContact CE2-CB 3.8Å; Y193-D494 HydrophobicContact CG-CB 4.16Å; D494-A496 PolarHBondContact O-N 3.41Å; D494-A496 VanDerWaalsContact O-N 3.1Å; D494-A496 WeakPolarHBondContact OD1-CB 3.23Å; D494-A496 PolarHBondContact OD1-N 3.05Å; D494-K497 HydrophobicContact CB-CB 4.28Å; D494-K497 HydrophobicContact CB-CD 4.35Å; D494-K497 HydrophobicContact CB-CG 4.29Å; D494-K497 PolarHBondContact O-N 3.32Å
495	P	90.3	Very high	94.4	Very high	117 Å²	117	58.3 Å²	58.3	76%	0.76	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.5	-178.3	28.4	-35.9	0	0	0	112.7	Y193 T493 K497	Y193-P495 WeakPolarHBondContact OH-CD 3.4Å; T493-P495 VanDerWaalsContact O-CD 3.31Å; T493-P495 WeakPolarHBondContact O-CD 3.48Å; P495-K497 VanDerWaalsContact C-N 3.34Å
496	A	90.1	Very high	93.5	Very high	89 Å²	89	58.5 Å²	58.5	74%	0.736	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.4	175.6	0	0	0	0	0	113.3	D494	D494-A496 PolarHBondContact O-N 3.41Å; D494-A496 VanDerWaalsContact O-N 3.1Å; D494-A496 WeakPolarHBondContact OD1-CB 3.23Å; D494-A496 PolarHBondContact OD1-N 3.05Å
497	K	89.9	Confident	92.6	Very high	134 Å²	134	61.4 Å²	61.4	58%	0.583	32%	0.321	S	S	*	.	S	Bend	trans	-107.2	124	-178.7	-68.4	-176.5	-176.4	178.5	0	110.7	D494 P495 L499	D494-K497 HydrophobicContact CB-CB 4.28Å; D494-K497 HydrophobicContact CB-CD 4.35Å; D494-K497 HydrophobicContact CB-CG 4.29Å; D494-K497 PolarHBondContact O-N 3.32Å; P495-K497 VanDerWaalsContact C-N 3.34Å; K497-L499 PolarHBondContact O-N 2.98Å
498	M	89.2	Confident	92.2	Very high	181 Å²	181	61.4 Å²	61.4	89%	0.892	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-73	120.8	175.7	-171.4	175.6	177.1	0	0	110.4
499	L	94.4	Very high	92	Very high	19 Å²	19	61 Å²	61	10%	0.099	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-76.5	130.8	170.7	-66.6	176.6	0	0	0	110.9	L342 V345 K346 T493 K497	L342-L499 HydrophobicContact CD1-CB 4.44Å; L342-L499 HydrophobicContact CD1-CD1 4.27Å; L342-L499 HydrophobicContact CD1-CD2 4.11Å; V345-L499 HydrophobicContact CB-CD1 4.18Å; V345-L499 HydrophobicContact CG2-CD1 3.53Å; K346-L499 HydrophobicContact CB-CD1 4.33Å; K346-L499 HydrophobicContact CD-CB 3.92Å; K346-L499 HydrophobicContact CD-CD1 4.39Å; K346-L499 PolarHBondContact NZ-O 2.85Å; T493-L499 HydrophobicContact CG2-CD1 3.66Å; T493-L499 HydrophobicContact CG2-CG 4.06Å; K497-L499 PolarHBondContact O-N 2.98Å
500	T	94.7	Very high	91.8	Very high	57 Å²	57	62.2 Å²	62.2	35%	0.35	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-99.6	150	168.4	-177.5	0	0	0	0	110.7	D502 H512	T500-D502 HydrophobicContact CG2-CB 4.22Å; T500-D502 VanDerWaalsContact OG1-CB 3.32Å; T500-D502 WeakPolarHBondContact OG1-CB 3.32Å; T500-D502 PolarHBondContact OG1-N 3.19Å; T500-D502 PolarHBondContact OG1-OD2 3.38Å; T500-H512 HydrophobicContact CG2-CB 4.17Å
501	L	95.9	Very high	91.7	Very high	36 Å²	36	56.4 Å²	56.4	19%	0.188	30%	0.303	C	S	.	.			trans	-100	14.1	168.2	-61.7	177.4	0	0	0	111.5	W339 L342 K346 Y347 F389	W339-L501 WeakPolarHBondContact CH2-O 3.36Å; W339-L501 HydrophobicContact CZ3-CD2 4.31Å; L342-L501 HydrophobicContact CD2-CD2 4Å; L342-L501 HydrophobicContact CG-CD2 3.98Å; K346-L501 HydrophobicContact CB-CD2 4.46Å; K346-L501 HydrophobicContact CG-CD1 4.42Å; K346-L501 HydrophobicContact CG-CD2 4.19Å; K346-L501 HydrophobicContact CG-CG 4.44Å; Y347-L501 HydrophobicContact CE2-CD1 4.17Å; Y347-L501 WeakPolarHBondContact OH-CD1 3.33Å; F389-L501 HydrophobicContact CE1-CD1 4.04Å; F389-L501 HydrophobicContact CZ-CD1 4.11Å
502	D	94.5	Very high	91.5	Very high	100 Å²	100	59.7 Å²	59.7	54%	0.535	32%	0.318	S	S	.	.			trans	-69.6	162.1	171.5	-65.1	-39.1	0	0	0	111.3	T500 H512	T500-D502 HydrophobicContact CG2-CB 4.22Å; T500-D502 VanDerWaalsContact OG1-CB 3.32Å; T500-D502 WeakPolarHBondContact OG1-CB 3.32Å; T500-D502 PolarHBondContact OG1-N 3.19Å; T500-D502 PolarHBondContact OG1-OD2 3.38Å; D502-H512 PolarHBondContact O-N 2.7Å; D502-H512 PolarHBondContact O-ND1 2.65Å
503	Y	94.2	Very high	91.3	Very high	49 Å²	49	62 Å²	62	19%	0.192	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.9	-173.4	50.6	-98.2	0	0	0	114.3	T73 H75 W423 L509 K510 H512	T73-Y503 HydrophobicContact CG2-CE2 4.23Å; H75-Y503 AromaticContact CE1-CE2 3.82Å; H75-Y503 AromaticContact NE2-CE2 3.92Å; H75-Y503 AromaticContact NE2-CZ 3.7Å; H75-Y503 PolarHBondContact NE2-OH 3.34Å; W423-Y503 AromaticContact CH2-CE1 3.91Å; W423-Y503 HydrophobicContact CH2-CE1 3.91Å; W423-Y503 HydrophobicContact CZ3-CE1 4.31Å; Y503-L509 HydrophobicContact CD2-CB 4.09Å; Y503-L509 HydrophobicContact CD2-CD1 4.19Å; Y503-L509 HydrophobicContact CD2-CD2 3.76Å; Y503-L509 HydrophobicContact CD2-CG 4.22Å; Y503-L509 HydrophobicContact CE1-CD1 4.48Å; Y503-L509 HydrophobicContact CE2-CD1 4.04Å; Y503-L509 HydrophobicContact CE2-CD2 3.88Å; Y503-L509 HydrophobicContact CE2-CG 4.43Å; Y503-L509 HydrophobicContact CG-CB 4.09Å; Y503-L509 HydrophobicContact CG-CD1 4.46Å; Y503-K510 CarbonylContact C-O 3.53Å; Y503-K510 WeakPolarHBondContact CA-O 3.48Å; Y503-K510 WeakPolarHBondContact CB-O 3.47Å; Y503-H512 PolarHBondContact N-CE1 3.25Å; Y503-H512 PolarHBondContact N-ND1 3.1Å; Y503-H512 PolarHBondContact O-CE1 3.16Å
504	K	90.2	Very high	91.3	Very high	84 Å²	84	61.5 Å²	61.5	37%	0.365	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120	166.4	-62	170.3	-178.3	170	0	107.8	K510 D513	K504-K510 PolarHBondContact N-O 3.44Å; K504-K510 PolarHBondContact O-N 2.66Å; K504-K510 VanDerWaalsContact O-N 3.12Å; K504-D513 IonicContact NZ-OD1 3.55Å; K504-D513 PolarHBondContact NZ-OD1 3.25Å; K504-D513 IonicContact NZ-OD2 2.98Å; K504-D513 PolarHBondContact NZ-OD2 2.98Å
505	Y	84.9	Confident	91.5	Very high	93 Å²	93	60.9 Å²	60.9	37%	0.365	32%	0.323	S	S	.	.			trans	-72	141.3	177.4	-177.1	-91.1	0	0	0	111.4	N72 P74 H75 P394 L509	N72-Y505 WeakPolarHBondContact O-CB 3.32Å; P74-Y505 HydrophobicContact CB-CE2 4.46Å; P74-Y505 VanDerWaalsContact CD-CZ 3.45Å; P74-Y505 HydrophobicContact CG-CE1 3.81Å; P74-Y505 HydrophobicContact CG-CE2 4.08Å; P74-Y505 WeakPolarHBondContact CG-OH 3.36Å; H75-Y505 AromaticContact CE1-CD2 3.8Å; H75-Y505 AromaticContact ND1-CD2 3.76Å; H75-Y505 AromaticContact ND1-CE2 3.5Å; H75-Y505 WeakPolarHBondContact ND1-CE2 3.27Å; P394-Y505 HydrophobicContact CG-CE2 4.38Å; Y505-L509 HydrophobicContact CD2-CD2 3.48Å; Y505-L509 VanDerWaalsContact CD2-CD2 3.48Å; Y505-L509 HydrophobicContact CE2-CD2 4.08Å; Y505-L509 HydrophobicContact CG-CD2 4.28Å
506	G	79.9	Confident	91.9	Very high	12 Å²	12	55.3 Å²	55.3	12%	0.124	29%	0.287	C	S	.	.	S	Bend	trans	-170.6	-156.3	177.4	0	0	0	0	0	110.4	T508	G506-T508 CarbonylContact C-O 3.44Å; G506-T508 PolarHBondContact N-O 2.92Å; G506-T508 PolarHBondContact O-N 3.45Å
507	L	78.2	Confident	92.3	Very high	67 Å²	67	51.5 Å²	51.5	35%	0.351	26%	0.255	S	S	.	.	S	Bend	trans	-57.2	-42.1	167.9	177.3	63.7	0	0	0	110.6	F234	F234-L507 HydrophobicContact CE1-CD2 4.04Å
508	T	90.4	Very high	92.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.229	C	C	.	.	S	Bend	trans	-113.2	150.7	167.5	55.6	0	0	0	0	110.6	D331 T332 T335 F392 V393 G506 K510	D331-T508 WeakPolarHBondContact OD2-CB 3.36Å; D331-T508 WeakPolarHBondContact OD2-CG2 3.17Å; D331-T508 PolarHBondContact OD2-OG1 3.46Å; T332-T508 HydrophobicContact CG2-CG2 4.13Å; T335-T508 PolarHBondContact OG1-OG1 3.26Å; F392-T508 HydrophobicContact CD2-CG2 4.47Å; F392-T508 CarbonylContact O-C 3.57Å; F392-T508 WeakPolarHBondContact O-CA 3.48Å; F392-T508 WeakPolarHBondContact O-CB 3.19Å; V393-T508 HydrophobicContact CG2-CG2 4.21Å; G506-T508 CarbonylContact C-O 3.44Å; G506-T508 PolarHBondContact N-O 2.92Å; G506-T508 PolarHBondContact O-N 3.45Å; T508-K510 PolarHBondContact O-N 3.37Å; T508-K510 WeakPolarHBondContact OG1-CE 3.44Å
509	L	93.8	Very high	93.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.			trans	-84	104.5	171.8	-54.7	179.4	0	0	0	108.5	T335 W339 F392 P394 W423 Y503 Y505	T335-L509 WeakPolarHBondContact CG2-O 3.4Å; W339-L509 PolarHBondContact NE1-O 3.33Å; F392-L509 PolarHBondContact O-N 2.72Å; P394-L509 HydrophobicContact CB-CD1 3.99Å; P394-L509 HydrophobicContact CB-CG 4.46Å; P394-L509 HydrophobicContact CG-CD1 3.86Å; P394-L509 HydrophobicContact CG-CD2 3.93Å; P394-L509 HydrophobicContact CG-CG 3.8Å; W423-L509 HydrophobicContact CE3-CD1 3.83Å; W423-L509 HydrophobicContact CZ3-CD1 3.42Å; W423-L509 VanDerWaalsContact CZ3-CD1 3.42Å; Y503-L509 HydrophobicContact CD2-CB 4.09Å; Y503-L509 HydrophobicContact CD2-CD1 4.19Å; Y503-L509 HydrophobicContact CD2-CD2 3.76Å; Y503-L509 HydrophobicContact CD2-CG 4.22Å; Y503-L509 HydrophobicContact CE1-CD1 4.48Å; Y503-L509 HydrophobicContact CE2-CD1 4.04Å; Y503-L509 HydrophobicContact CE2-CD2 3.88Å; Y503-L509 HydrophobicContact CE2-CG 4.43Å; Y503-L509 HydrophobicContact CG-CB 4.09Å; Y503-L509 HydrophobicContact CG-CD1 4.46Å; Y505-L509 HydrophobicContact CD2-CD2 3.48Å; Y505-L509 VanDerWaalsContact CD2-CD2 3.48Å; Y505-L509 HydrophobicContact CE2-CD2 4.08Å; Y505-L509 HydrophobicContact CG-CD2 4.28Å
510	K	93.4	Very high	93.2	Very high	26 Å²	26	40.7 Å²	40.7	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.3	-179.5	-66.9	177.7	-180	177.4	0	109.9	T235 D331 T335 Y503 K504 T508	T235-K510 PolarHBondContact OG1-NZ 3.32Å; D331-K510 WeakPolarHBondContact OD1-CE 3.14Å; D331-K510 IonicContact OD1-NZ 3.61Å; D331-K510 PolarHBondContact OD1-NZ 2.98Å; T335-K510 HydrophobicContact CG2-CG 4.15Å; Y503-K510 CarbonylContact C-O 3.53Å; Y503-K510 WeakPolarHBondContact CA-O 3.48Å; Y503-K510 WeakPolarHBondContact CB-O 3.47Å; K504-K510 PolarHBondContact N-O 3.44Å; K504-K510 PolarHBondContact O-N 2.66Å; K504-K510 VanDerWaalsContact O-N 3.12Å; T508-K510 PolarHBondContact O-N 3.37Å; T508-K510 WeakPolarHBondContact OG1-CE 3.44Å
511	P	96	Very high	93.3	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.013	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	156.6	171.8	26.3	-31.8	0	0	0	110.8	Q338 W339 L342 Y514	Q338-P511 HydrophobicContact CB-CG 3.73Å; W339-P511 HydrophobicContact CD2-CB 4.3Å; W339-P511 HydrophobicContact CD2-CG 4.36Å; W339-P511 HydrophobicContact CE3-CB 4.26Å; W339-P511 HydrophobicContact CH2-CB 4.07Å; W339-P511 HydrophobicContact CZ2-CB 4.13Å; W339-P511 HydrophobicContact CZ3-CB 4.14Å; L342-P511 HydrophobicContact CD2-CB 3.5Å; L342-P511 VanDerWaalsContact CD2-CB 3.5Å; L342-P511 HydrophobicContact CD2-CG 4.44Å; P511-Y514 HydrophobicContact CB-CE1 4.28Å; P511-Y514 HydrophobicContact CG-CE1 4.02Å
512	H	94.5	Very high	93.1	Very high	72 Å²	72	45 Å²	45	33%	0.333	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-64.2	159.6	166.5	-72.5	84.9	0	0	0	111	T500 D502 Y503 Y514	T500-H512 HydrophobicContact CG2-CB 4.17Å; D502-H512 PolarHBondContact O-N 2.7Å; D502-H512 PolarHBondContact O-ND1 2.65Å; Y503-H512 PolarHBondContact N-CE1 3.25Å; Y503-H512 PolarHBondContact N-ND1 3.1Å; Y503-H512 PolarHBondContact O-CE1 3.16Å; H512-Y514 WeakPolarHBondContact O-CD1 3.32Å; H512-Y514 PolarHBondContact O-N 2.75Å
513	D	93.8	Very high	93	Very high	105 Å²	105	44 Å²	44	56%	0.561	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-65	130	-176.7	-50.5	-36.1	0	0	0	109.8	K504	K504-D513 IonicContact NZ-OD1 3.55Å; K504-D513 PolarHBondContact NZ-OD1 3.25Å; K504-D513 IonicContact NZ-OD2 2.98Å; K504-D513 PolarHBondContact NZ-OD2 2.98Å
514	Y	96.1	Very high	93	Very high	16 Å²	16	43.2 Å²	43.2	6%	0.063	22%	0.217	C	C	.	.			trans	-132.9	156.3	178.4	61.6	-93.8	0	0	0	109.9	P196 Q338 I341 L342 P511 H512 I516	P196-Y514 WeakPolarHBondContact CD-O 3.3Å; P196-Y514 HydrophobicContact CG-CD2 4.33Å; P196-Y514 HydrophobicContact CG-CE2 3.57Å; Q338-Y514 PolarHBondContact O-OH 3.1Å; I341-Y514 WeakPolarHBondContact CB-OH 3.49Å; I341-Y514 HydrophobicContact CG2-CE2 3.77Å; L342-Y514 HydrophobicContact CB-CD1 4.16Å; L342-Y514 HydrophobicContact CB-CE1 3.68Å; L342-Y514 HydrophobicContact CB-CE2 4.46Å; L342-Y514 HydrophobicContact CD1-CD1 3.83Å; L342-Y514 HydrophobicContact CD1-CD2 4.39Å; L342-Y514 HydrophobicContact CD1-CE1 4.25Å; L342-Y514 HydrophobicContact CD1-CG 3.92Å; L342-Y514 HydrophobicContact CD2-CD1 4.21Å; L342-Y514 HydrophobicContact CD2-CE1 4.29Å; L342-Y514 HydrophobicContact CG-CD1 4.29Å; L342-Y514 HydrophobicContact CG-CE1 4.29Å; L342-Y514 PolarHBondContact N-OH 3.46Å; P511-Y514 HydrophobicContact CB-CE1 4.28Å; P511-Y514 HydrophobicContact CG-CE1 4.02Å; H512-Y514 WeakPolarHBondContact O-CD1 3.32Å; H512-Y514 PolarHBondContact O-N 2.75Å; Y514-I516 HydrophobicContact CD2-CG2 3.64Å; Y514-I516 HydrophobicContact CE2-CG2 3.6Å
515	A	96.9	Very high	93.1	Very high	19 Å²	19	43.2 Å²	43.2	16%	0.157	22%	0.224	C	C	.	.			trans	-111.4	140.7	179.5	0	0	0	0	0	110.8	F194 T493	F194-A515 CarbonylContact O-C 3.55Å; F194-A515 VanDerWaalsContact O-CA 3.26Å; F194-A515 WeakPolarHBondContact O-CA 3.44Å; T493-A515 PolarHBondContact OG1-O 3.34Å
516	I	98.1	Very high	93.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	158.1	-179.2	66.4	171.3	0	0	0	111.4	F184 Y193 F194 P196 I341 V345 I491 T492 Y514 V518	F184-I516 HydrophobicContact CE2-CD1 4.31Å; Y193-I516 CarbonylContact C-O 3.6Å; Y193-I516 VanDerWaalsContact CA-O 3.27Å; Y193-I516 WeakPolarHBondContact CA-O 3.27Å; F194-I516 VanDerWaalsContact CD1-O 3.31Å; F194-I516 WeakPolarHBondContact CD1-O 3.49Å; F194-I516 HydrophobicContact CE1-CG1 4.01Å; F194-I516 HydrophobicContact CE2-CD1 4.26Å; F194-I516 HydrophobicContact CE2-CG1 4.08Å; F194-I516 HydrophobicContact CZ-CD1 3.88Å; F194-I516 HydrophobicContact CZ-CG1 3.72Å; F194-I516 PolarHBondContact N-O 2.9Å; F194-I516 PolarHBondContact O-N 2.77Å; P196-I516 HydrophobicContact CB-CD1 3.72Å; P196-I516 HydrophobicContact CB-CG1 4.2Å; P196-I516 HydrophobicContact CG-CD1 3.89Å; P196-I516 HydrophobicContact CG-CG1 4.12Å; P196-I516 HydrophobicContact CG-CG2 4.48Å; I341-I516 HydrophobicContact CG2-CD1 3.97Å; I341-I516 HydrophobicContact CG2-CG2 4.03Å; V345-I516 HydrophobicContact CG1-CG2 4.03Å; I491-I516 HydrophobicContact CG2-CB 3.91Å; I491-I516 HydrophobicContact CG2-CD1 3.95Å; I491-I516 HydrophobicContact CG2-CG1 4.47Å; I491-I516 HydrophobicContact CG2-CG2 4.11Å; T492-I516 CarbonylContact O-C 3.52Å; T492-I516 VanDerWaalsContact O-CA 3.23Å; T492-I516 WeakPolarHBondContact O-CA 3.47Å; Y514-I516 HydrophobicContact CD2-CG2 3.64Å; Y514-I516 HydrophobicContact CE2-CG2 3.6Å; I516-V518 HydrophobicContact CD1-CG2 3.88Å; I516-V518 HydrophobicContact CG1-CG2 4.4Å
517	A	98.3	Very high	94	Very high	9 Å²	9	40 Å²	40	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.8	164.3	0	0	0	0	0	108.5	T188 R192 Y193 I491 T492	T188-A517 HydrophobicContact CG2-CB 3.85Å; R192-A517 WeakPolarHBondContact O-CB 3.31Å; Y193-A517 HydrophobicContact CD1-CB 3.6Å; Y193-A517 HydrophobicContact CE1-CB 3.69Å; I491-A517 WeakPolarHBondContact CA-O 3.21Å; T492-A517 PolarHBondContact N-O 3.29Å; T492-A517 PolarHBondContact O-N 2.64Å; T492-A517 PolarHBondContact OG1-O 2.86Å
518	V	98.4	Very high	94.7	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127	-177.5	-176.8	0	0	0	0	109.8	L181 F184 T188 F194 C489 R490 I491 I516	L181-V518 HydrophobicContact CD1-CG1 3.68Å; F184-V518 HydrophobicContact CB-CB 4.02Å; F184-V518 HydrophobicContact CB-CG1 4.32Å; F184-V518 HydrophobicContact CB-CG2 3.9Å; F184-V518 HydrophobicContact CD2-CG2 3.96Å; F184-V518 HydrophobicContact CG-CG2 4.27Å; T188-V518 PolarHBondContact OG1-N 2.94Å; T188-V518 PolarHBondContact OG1-O 2.86Å; F194-V518 HydrophobicContact CE1-CG2 4.4Å; F194-V518 HydrophobicContact CZ-CG2 4.26Å; C489-V518 HydrophobicContact CB-CG1 3.75Å; R490-V518 WeakPolarHBondContact O-CA 3.27Å; I491-V518 HydrophobicContact CG2-CG2 4.2Å; I516-V518 HydrophobicContact CD1-CG2 3.88Å; I516-V518 HydrophobicContact CG1-CG2 4.4Å
519	S	97.9	Very high	94.6	Very high	57 Å²	57	43 Å²	43	40%	0.399	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.9	171.5	65.6	0	0	0	0	109.9	C489 R490	C489-S519 CarbonylContact C-O 3.51Å; C489-S519 VanDerWaalsContact CA-O 3.29Å; C489-S519 WeakPolarHBondContact CA-O 3.38Å; C489-S519 WeakPolarHBondContact CB-O 3.31Å; R490-S519 PolarHBondContact N-O 2.72Å; R490-S519 PolarHBondContact O-N 3.35Å
520	L	98.1	Very high	94	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.246	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	146.8	171.2	-58.8	175.3	0	0	0	110	L181 V185 E522 M524	L181-L520 HydrophobicContact CD1-CD2 4.23Å; L181-L520 HydrophobicContact CD2-CD2 3.73Å; L181-L520 HydrophobicContact CG-CD2 3.98Å; V185-L520 HydrophobicContact CG2-CD2 3.87Å; V185-L520 HydrophobicContact CG2-CG 3.97Å; L520-E522 VanDerWaalsContact CB-O 3.27Å; L520-E522 WeakPolarHBondContact CB-O 3.42Å; L520-M524 HydrophobicContact CD1-CG 3.84Å; L520-M524 HydrophobicContact CD1-SD 4.14Å; L520-M524 HydrophobicContact CD2-CG 4.43Å; L520-M524 HydrophobicContact CD2-SD 3.61Å
521	R	95.9	Very high	93.3	Very high	78 Å²	78	42.5 Å²	42.5	29%	0.294	24%	0.236	S	C	.	.	S	Bend	trans	-78.4	-33.9	169.5	-66.6	-178	70.5	-157.9	-4.4	110.9	Q355 D359 A486 Q488	Q355-R521 VanDerWaalsContact CB-NH1 3.33Å; D359-R521 IonicContact OD1-CZ 3.46Å; D359-R521 IonicContact OD1-NH1 2.7Å; D359-R521 PolarHBondContact OD1-NH1 3.29Å; D359-R521 IonicContact OD1-NH2 2.88Å; D359-R521 IonicContact OD2-CZ 2.7Å; D359-R521 IonicContact OD2-NH1 2.69Å; D359-R521 PolarHBondContact OD2-NH1 2.95Å; D359-R521 IonicContact OD2-NH2 3.11Å; D359-R521 PolarHBondContact OD2-NH2 3.41Å; A486-R521 WeakPolarHBondContact O-CD 3.26Å; A486-R521 PolarHBondContact O-NH1 3.31Å; Q488-R521 PolarHBondContact O-N 2.99Å
522	E	92.2	Very high	92.4	Very high	104 Å²	104	44.3 Å²	44.3	49%	0.486	25%	0.251	S	S	.	.	S	Bend	trans	-132.4	-115.4	172.7	-66	178.8	177.3	0	0	109.1	R364 L520	R364-E522 VanDerWaalsContact CD-OE1 3.22Å; R364-E522 WeakPolarHBondContact CD-OE1 3.38Å; R364-E522 WeakPolarHBondContact CD-OE2 3.4Å; R364-E522 VanDerWaalsContact CG-OE1 3.22Å; R364-E522 WeakPolarHBondContact CG-OE1 3.49Å; R364-E522 IonicContact NE-OE1 2.76Å; R364-E522 PolarHBondContact NE-OE1 3.28Å; R364-E522 IonicContact NE-OE2 3.54Å; L520-E522 VanDerWaalsContact CB-O 3.27Å; L520-E522 WeakPolarHBondContact CB-O 3.42Å
523	D	92.3	Very high	91	Very high	79 Å²	79	47 Å²	47	42%	0.422	26%	0.264	S	S	.	.			trans	-128.9	-175.9	176.4	63.4	42	0	0	0	111.5	T525	D523-T525 WeakPolarHBondContact OD1-CB 3.35Å; D523-T525 WeakPolarHBondContact OD1-CG2 3.38Å; D523-T525 PolarHBondContact OD1-N 3.33Å; D523-T525 PolarHBondContact OD1-OG1 2.96Å
524	M	93.6	Very high	89.3	Confident	33 Å²	33	42.9 Å²	42.9	16%	0.163	25%	0.245	C	C	.	.	S	Bend	trans	-88.5	1	-179	-65.7	-67.4	-69	0	0	113.5	R178 L181 R182 L520 L526 L527 D528	R178-M524 HydrophobicContact CG-CE 3.93Å; L181-M524 HydrophobicContact CB-CE 4.42Å; L181-M524 HydrophobicContact CD2-CE 4.33Å; L181-M524 HydrophobicContact CD2-SD 3.78Å; L181-M524 HydrophobicContact CG-CE 4.42Å; L181-M524 HydrophobicContact CG-SD 4.07Å; R182-M524 HydrophobicContact CB-CE 4.45Å; L520-M524 HydrophobicContact CD1-CG 3.84Å; L520-M524 HydrophobicContact CD1-SD 4.14Å; L520-M524 HydrophobicContact CD2-CG 4.43Å; L520-M524 HydrophobicContact CD2-SD 3.61Å; M524-L526 PolarHBondContact O-N 3.5Å; M524-L527 HydrophobicContact CE-CB 4.28Å; M524-L527 HydrophobicContact CE-CD1 3.65Å; M524-L527 WeakPolarHBondContact O-CB 3.45Å; M524-L527 PolarHBondContact O-N 2.93Å; M524-L527 HydrophobicContact SD-CD1 3.8Å; M524-D528 PolarHBondContact O-N 3.45Å
525	T	93.2	Very high	87.2	Confident	85 Å²	85	46.9 Å²	46.9	52%	0.521	27%	0.267	S	S	.	.	H	α-helix	trans	-58.3	-44.1	-167.4	57.2	0	0	0	0	113.1	D523 D528 A529	D523-T525 WeakPolarHBondContact OD1-CB 3.35Å; D523-T525 WeakPolarHBondContact OD1-CG2 3.38Å; D523-T525 PolarHBondContact OD1-N 3.33Å; D523-T525 PolarHBondContact OD1-OG1 2.96Å; T525-D528 PolarHBondContact O-N 3Å; T525-A529 WeakPolarHBondContact O-CB 3.39Å; T525-A529 PolarHBondContact O-N 3.33Å
526	L	91.8	Very high	84.6	Confident	37 Å²	37	52.9 Å²	52.9	19%	0.194	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-41.2	177	-68.2	174	0	0	0	112.4	R364 L367 M524 G530	R364-L526 WeakPolarHBondContact O-CD1 3.32Å; L367-L526 WeakPolarHBondContact CD1-O 3.46Å; L367-L526 HydrophobicContact CD2-CB 3.96Å; L367-L526 HydrophobicContact CG-CB 4.17Å; M524-L526 PolarHBondContact O-N 3.5Å; L526-G530 PolarHBondContact O-N 2.87Å
527	L	91.4	Very high	81.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68.1	-40.8	177.8	-72	171.6	0	0	0	111.4	L174 F177 R178 L181 L367 L484 Q488 M524 A531	L174-L527 HydrophobicContact CD1-CD2 3.59Å; F177-L527 HydrophobicContact CD1-CD1 4.26Å; F177-L527 HydrophobicContact CD1-CD2 3.78Å; F177-L527 HydrophobicContact CE1-CD1 3.98Å; F177-L527 HydrophobicContact CE1-CD2 4.04Å; R178-L527 HydrophobicContact CB-CB 4.33Å; R178-L527 HydrophobicContact CG-CB 4.06Å; L181-L527 HydrophobicContact CD2-CD1 3.59Å; L367-L527 HydrophobicContact CD1-CD2 4.13Å; L367-L527 HydrophobicContact CD2-CD2 3.71Å; L367-L527 HydrophobicContact CD2-CG 4.13Å; L484-L527 HydrophobicContact CD2-CD2 4.4Å; Q488-L527 HydrophobicContact CB-CD1 4.26Å; Q488-L527 HydrophobicContact CG-CD1 3.84Å; Q488-L527 HydrophobicContact CG-CD2 4.18Å; Q488-L527 HydrophobicContact CG-CG 4.08Å; M524-L527 HydrophobicContact CE-CB 4.28Å; M524-L527 HydrophobicContact CE-CD1 3.65Å; M524-L527 WeakPolarHBondContact O-CB 3.45Å; M524-L527 PolarHBondContact O-N 2.93Å; M524-L527 HydrophobicContact SD-CD1 3.8Å; L527-A531 VanDerWaalsContact O-CB 3.29Å; L527-A531 WeakPolarHBondContact O-CB 3.38Å; L527-A531 PolarHBondContact O-N 2.81Å
528	D	91.6	Very high	79	Confident	79 Å²	79	61.5 Å²	61.5	42%	0.422	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-45.3	177.5	-70.1	-27.9	0	0	0	110.9	R178 M524 T525 A532	R178-D528 WeakPolarHBondContact CD-OD1 3.39Å; M524-D528 PolarHBondContact O-N 3.45Å; T525-D528 PolarHBondContact O-N 3Å; D528-A532 WeakPolarHBondContact O-CB 3.38Å; D528-A532 PolarHBondContact O-N 2.82Å
529	A	88.6	Confident	75.8	Confident	52 Å²	52	64.8 Å²	64.8	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-47.2	175.3	0	0	0	0	0	112.4	T525 A531 A532 Q533	T525-A529 WeakPolarHBondContact O-CB 3.39Å; T525-A529 PolarHBondContact O-N 3.33Å; A529-A531 VanDerWaalsContact C-N 3.33Å; A529-A531 PolarHBondContact O-N 2.89Å; A529-A532 PolarHBondContact O-N 2.88Å; A529-Q533 PolarHBondContact O-N 3.14Å; A529-Q533 VanDerWaalsContact O-N 3.16Å
530	G	82.6	Confident	72.5	Confident	15 Å²	15	70.5 Å²	70.5	16%	0.155	39%	0.387	C	S	.	.	H	α-helix	trans	-63.9	-36.5	-179.7	0	0	0	0	0	113.1	L526 A534	L526-G530 PolarHBondContact O-N 2.87Å; G530-A534 PolarHBondContact O-N 2.63Å
531	A	78.8	Confident	69.6	Low	0 Å²	0	74.8 Å²	74.8	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-81	-24.1	176.9	0	0	0	0	0	113.5	A175 L527 A529 A534 N535	A175-A531 HydrophobicContact CB-CB 4.34Å; L527-A531 VanDerWaalsContact O-CB 3.29Å; L527-A531 WeakPolarHBondContact O-CB 3.38Å; L527-A531 PolarHBondContact O-N 2.81Å; A529-A531 VanDerWaalsContact C-N 3.33Å; A529-A531 PolarHBondContact O-N 2.89Å; A531-A534 WeakPolarHBondContact O-CB 3.1Å; A531-A534 PolarHBondContact O-N 3.44Å; A531-N535 PolarHBondContact O-N 3.04Å
532	A	75.6	Confident	66.7	Low	41 Å²	41	79.5 Å²	79.5	34%	0.339	44%	0.435	S	S	.	.	H	α-helix	trans	-64.7	-43.9	169.4	0	0	0	0	0	111.2	D528 A529 A534 N535 E536	D528-A532 WeakPolarHBondContact O-CB 3.38Å; D528-A532 PolarHBondContact O-N 2.82Å; A529-A532 PolarHBondContact O-N 2.88Å; A532-A534 PolarHBondContact O-N 2.98Å; A532-N535 PolarHBondContact O-N 2.82Å; A532-E536 PolarHBondContact O-N 3.29Å; A532-E536 VanDerWaalsContact O-N 3.09Å
533	Q	65	Low	63.7	Low	128 Å²	128	78.7 Å²	78.7	60%	0.598	45%	0.446	S	S	*	.	H	α-helix	trans	-61	-29.4	174.5	-69.1	177.5	4.4	0	0	113.2	A529	A529-Q533 PolarHBondContact O-N 3.14Å; A529-Q533 VanDerWaalsContact O-N 3.16Å
534	A	59.8	Low	60.8	Low	19 Å²	19	84.2 Å²	84.2	16%	0.157	47%	0.466	C	S	.	.	H	α-helix	trans	-72.1	-28.9	174	0	0	0	0	0	113.2	Q171 G530 A531 A532	Q171-A534 HydrophobicContact CB-CB 3.85Å; Q171-A534 HydrophobicContact CG-CB 3.92Å; G530-A534 PolarHBondContact O-N 2.63Å; A531-A534 WeakPolarHBondContact O-CB 3.1Å; A531-A534 PolarHBondContact O-N 3.44Å; A532-A534 PolarHBondContact O-N 2.98Å
535	N	52.1	Low	57.9	Low	100 Å²	100	92.9 Å²	92.9	54%	0.535	52%	0.52	S	S	.	.	H	α-helix	trans	-88.4	-20.4	-180	-77.6	-10.2	0	0	0	113.6	A531 A532 P538	A531-N535 PolarHBondContact O-N 3.04Å; A532-N535 PolarHBondContact O-N 2.82Å; N535-P538 WeakPolarHBondContact O-CD 3.47Å
536	E	41.8	Very low	56.1	Low	145 Å²	145	93.3 Å²	93.3	68%	0.678	52%	0.52	S	S	*	.	H	α-helix	trans	-86.4	-11.3	-179.8	-74.6	178.8	171.1	0	0	114.2	A532 P538	A532-E536 PolarHBondContact O-N 3.29Å; A532-E536 VanDerWaalsContact O-N 3.09Å; E536-P538 WeakPolarHBondContact O-CD 3.45Å
537	Q	41.3	Very low	54.2	Low	91 Å²	91	96.2 Å²	96.2	43%	0.425	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	2.8	177.2	-83.2	-174.9	-14.1	0	0	118.9	A539	Q537-A539 PolarHBondContact O-N 2.96Å
538	P	37.9	Very low	52.2	Low	98 Å²	98	101.6 Å²	101.6	64%	0.636	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-13	171.5	-16.4	30.2	0	0	0	115.8	N535 E536	N535-P538 WeakPolarHBondContact O-CD 3.47Å; E536-P538 WeakPolarHBondContact O-CD 3.45Å
539	A	31.4	Very low	49.8	Very low	72 Å²	72	102.9 Å²	102.9	60%	0.595	58%	0.576	S	S	*	*	S	Bend	trans	-113.5	-33.2	-163.3	0	0	0	0	0	117.2	Q537	Q537-A539 PolarHBondContact O-N 2.96Å
540	E	27.5	Very low	47.4	Very low	177 Å²	177	106.1 Å²	106.1	83%	0.827	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-89.1	-12.2	-169.7	-76.3	-170.1	153	0	0	115.6
541	L	38.3	Very low	45.1	Very low	137 Å²	137	112.1 Å²	112.1	72%	0.717	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-94.8	4.8	178.7	-93.9	102.1	0	0	0	115	A543	L541-A543 VanDerWaalsContact C-N 3.29Å
542	Q	34.9	Very low	42.7	Very low	177 Å²	177	120.1 Å²	120.1	83%	0.827	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-81.3	-3.9	171.8	-70.4	-175.7	-12.8	0	0	113.6
543	A	28.6	Very low	40.1	Very low	87 Å²	87	126.2 Å²	126.2	72%	0.719	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-103.2	-0.7	-173.6	0	0	0	0	0	115.7	L541	L541-A543 VanDerWaalsContact C-N 3.29Å
544	K	31.6	Very low	38.1	Very low	195 Å²	195	126.1 Å²	126.1	85%	0.848	69%	0.689	S	S	*	*			trans	-147.9	74.5	176.6	-73.7	-171.3	178.7	175.1	0	113.1
545	V	31.7	Very low	36.1	Very low	215 Å²	215	135.8 Å²	135.8	100%	1.303	74%	0.737	S	S	*	*			trans	-142.6	0	142	177.7	0	0	0	0	107.7

Retrieved 545 of 545 residues in 4535 ms (Link to these results)

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